| 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 | 41.6 | Very low | 52.1 | Low | 248 Ų | 248 | 139.6 Ų | 139.6 | 100% | 1.222 | 87% | 0.865 | S | S | * | * | 0 | 145.6 | 0 | -76.4 | 179 | 165.2 | 0 | 0 | 108.4 | |||||
| 2 | G | 49.3 | Very low | 52.9 | Low | 86 Ų | 86 | 148.4 Ų | 148.4 | 89% | 0.887 | 87% | 0.87 | S | S | * | * | trans | 68 | 122.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 3 | G | 53.9 | Low | 53.3 | Low | 76 Ų | 76 | 141.8 Ų | 141.8 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | cis | -172.2 | 157.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | L | 55.6 | Low | 54.8 | Low | 184 Ų | 184 | 137.2 Ų | 137.2 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | trans | -76.5 | 126.4 | 176.1 | -68.1 | 114.9 | 0 | 0 | 0 | 110.3 | ||||
| 5 | G | 48.5 | Very low | 56.2 | Low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -125 | 40.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G7 | G5-G7 PolarHBondContact O-N 3.19Š| ||
| 6 | N | 53.8 | Low | 57.6 | Low | 166 Ų | 166 | 135.6 Ų | 135.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -70.6 | 94.5 | -175.6 | -164 | 14.9 | 0 | 0 | 0 | 110.8 | ||||
| 7 | G | 48.2 | Very low | 59.2 | Low | 61 Ų | 61 | 134.2 Ų | 134.2 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -138.2 | 84.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G5 R9 | G5-G7 PolarHBondContact O-N 3.19Å; G7-R9 VanDerWaalsContact C-N 3.33Å; G7-R9 PolarHBondContact O-N 3.23Å | ||
| 8 | R | 57.2 | Low | 60.7 | Low | 252 Ų | 252 | 130.6 Ų | 130.6 | 95% | 0.951 | 77% | 0.77 | S | S | * | * | trans | -63.5 | 84.8 | 172.6 | -72.6 | -177.9 | 170.4 | -159.8 | -1.8 | 111.9 | G10 | R8-G10 VanDerWaalsContact C-N 3.28Å; R8-G10 PolarHBondContact O-N 3.48Å | ||
| 9 | R | 54.4 | Low | 62.1 | Low | 242 Ų | 242 | 126.6 Ų | 126.6 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | trans | -94.3 | 48.8 | 160.1 | -73.1 | -166.7 | 175.9 | -160.5 | 0.7 | 111.7 | G7 G11 | G7-R9 VanDerWaalsContact C-N 3.33Å; G7-R9 PolarHBondContact O-N 3.23Å; R9-G11 PolarHBondContact O-N 3.04Å; R9-G11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | G | 54.2 | Low | 63.4 | Low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -60.4 | 114.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107 | R8 R12 | R8-G10 VanDerWaalsContact C-N 3.28Å; R8-G10 PolarHBondContact O-N 3.48Å; G10-R12 PolarHBondContact O-N 2.95Å | ||
| 11 | G | 56 | Low | 64.7 | Low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | -59.2 | 112.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R9 A13 | R9-G11 PolarHBondContact O-N 3.04Å; R9-G11 VanDerWaalsContact O-N 3.14Å; G11-A13 PolarHBondContact O-N 2.79Å | ||
| 12 | R | 62.4 | Low | 67 | Low | 245 Ų | 245 | 114.6 Ų | 114.6 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | trans | -59.5 | 109.9 | 167.6 | -85.9 | 176.9 | 156.6 | 147.5 | -8.2 | 107.6 | G10 | G10-R12 PolarHBondContact O-N 2.95Š| ||
| 13 | A | 57.9 | Low | 69 | Low | 63 Ų | 63 | 113 Ų | 113 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | trans | -52 | 136.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | G11 V18 | G11-A13 PolarHBondContact O-N 2.79Å; A13-V18 HydrophobicContact CB-CG2 4.21Å | ||
| 14 | P | 73.8 | Confident | 70.8 | Confident | 77 Ų | 77 | 113 Ų | 113 | 50% | 0.5 | 66% | 0.658 | S | S | . | * | trans | -55.2 | 132.4 | 179.9 | -24.8 | 33.2 | 0 | 0 | 0 | 109.7 | L16 M17 V18 | P14-L16 PolarHBondContact O-N 3.5Å; P14-M17 HydrophobicContact CB-CB 4.44Å; P14-M17 HydrophobicContact CB-CG 4Å; P14-M17 HydrophobicContact CG-CG 4.02Å; P14-M17 WeakPolarHBondContact O-CB 3.27Å; P14-M17 PolarHBondContact O-N 3.49Å; P14-V18 PolarHBondContact O-N 2.93Å | ||
| 15 | P | 75.9 | Confident | 72.6 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 69% | 0.688 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.5 | -26.8 | -176.7 | 22.7 | -33 | 0 | 0 | 0 | 112.3 | V18 A19 | P15-V18 PolarHBondContact O-N 3.42Å; P15-A19 WeakPolarHBondContact O-CB 3.33Å; P15-A19 PolarHBondContact O-N 2.9Å |
| 16 | L | 79.5 | Confident | 74.7 | Confident | 142 Ų | 142 | 111.8 Ų | 111.8 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.9 | -36.8 | 172.3 | -57.2 | 178.9 | 0 | 0 | 0 | 113.2 | P14 A19 A20 | P14-L16 PolarHBondContact O-N 3.5Å; L16-A19 PolarHBondContact O-N 3.5Å; L16-A20 VanDerWaalsContact O-CB 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.32Å; L16-A20 PolarHBondContact O-N 3.01Å |
| 17 | M | 83.8 | Confident | 76.6 | Confident | 113 Ų | 113 | 108.7 Ų | 108.7 | 56% | 0.557 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.5 | -39.6 | 175 | -68.7 | -67.5 | -69.1 | 0 | 0 | 110.9 | P14 A20 L21 | P14-M17 HydrophobicContact CB-CB 4.44Å; P14-M17 HydrophobicContact CB-CG 4Å; P14-M17 HydrophobicContact CG-CG 4.02Å; P14-M17 WeakPolarHBondContact O-CB 3.27Å; P14-M17 PolarHBondContact O-N 3.49Å; M17-A20 PolarHBondContact O-N 2.94Å; M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 VanDerWaalsContact O-CG 3.27Å; M17-L21 WeakPolarHBondContact O-CG 3.34Å; M17-L21 PolarHBondContact O-N 3.37Å |
| 18 | V | 86.6 | Confident | 78.8 | Confident | 68 Ų | 68 | 111.5 Ų | 111.5 | 41% | 0.412 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.8 | -44.1 | 176 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | A13 P14 P15 L21 I22 | A13-V18 HydrophobicContact CB-CG2 4.21Å; P14-V18 PolarHBondContact O-N 2.93Å; P15-V18 PolarHBondContact O-N 3.42Å; V18-L21 PolarHBondContact O-N 3.33Å; V18-I22 HydrophobicContact CG1-CD1 4.03Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.3Å; V18-I22 PolarHBondContact O-N 3.29Å |
| 19 | A | 86.8 | Confident | 80.6 | Confident | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.3 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P15 L16 I22 A23 | P15-A19 WeakPolarHBondContact O-CB 3.33Å; P15-A19 PolarHBondContact O-N 2.9Å; L16-A19 PolarHBondContact O-N 3.5Å; A19-I22 PolarHBondContact O-N 3.04Å; A19-A23 PolarHBondContact O-N 2.85Å |
| 20 | A | 89.2 | Confident | 82.5 | Confident | 49 Ų | 49 | 96.5 Ų | 96.5 | 41% | 0.405 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L16 M17 I22 A23 C24 | L16-A20 VanDerWaalsContact O-CB 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.32Å; L16-A20 PolarHBondContact O-N 3.01Å; M17-A20 PolarHBondContact O-N 2.94Å; A20-I22 PolarHBondContact O-N 3.49Å; A20-A23 PolarHBondContact O-N 3.39Å; A20-C24 PolarHBondContact O-N 3.46Å; A20-C24 PolarHBondContact O-SG 2.99Å; A20-C24 VanDerWaalsContact O-SG 3.36Å |
| 21 | L | 89.8 | Confident | 84.4 | Confident | 106 Ų | 106 | 98.2 Ų | 98.2 | 56% | 0.555 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.3 | -41.9 | 175 | -74.4 | 167.6 | 0 | 0 | 0 | 112 | M17 V18 C24 I25 | M17-L21 WeakPolarHBondContact O-CB 3.46Å; M17-L21 VanDerWaalsContact O-CG 3.27Å; M17-L21 WeakPolarHBondContact O-CG 3.34Å; M17-L21 PolarHBondContact O-N 3.37Å; V18-L21 PolarHBondContact O-N 3.33Å; L21-C24 PolarHBondContact O-N 2.99Å; L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.9Å |
| 22 | I | 89.9 | Confident | 86.2 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.7 | -43.9 | 174.7 | -68.8 | 164 | 0 | 0 | 0 | 110.8 | V18 A19 A20 C24 I25 L26 | V18-I22 HydrophobicContact CG1-CD1 4.03Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.3Å; V18-I22 PolarHBondContact O-N 3.29Å; A19-I22 PolarHBondContact O-N 3.04Å; A20-I22 PolarHBondContact O-N 3.49Å; I22-C24 PolarHBondContact O-N 3.26Å; I22-I25 PolarHBondContact O-N 3.29Å; I22-L26 HydrophobicContact CG2-CD1 4.23Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 3Å |
| 23 | A | 91.9 | Very high | 87.7 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.7 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A19 A20 I25 L26 V27 | A19-A23 PolarHBondContact O-N 2.85Å; A20-A23 PolarHBondContact O-N 3.39Å; A23-I25 PolarHBondContact O-N 3.38Å; A23-L26 PolarHBondContact O-N 3.08Å; A23-V27 WeakPolarHBondContact O-CG2 3.44Å; A23-V27 PolarHBondContact O-N 3.47Å |
| 24 | C | 91.8 | Very high | 89.4 | Confident | 74 Ų | 74 | 99 Ų | 99 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 173.8 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | A20 L21 I22 L26 V27 L28 | A20-C24 PolarHBondContact O-N 3.46Å; A20-C24 PolarHBondContact O-SG 2.99Å; A20-C24 VanDerWaalsContact O-SG 3.36Å; L21-C24 PolarHBondContact O-N 2.99Å; I22-C24 PolarHBondContact O-N 3.26Å; C24-L26 VanDerWaalsContact C-N 3.35Å; C24-L26 PolarHBondContact O-N 3.41Å; C24-V27 PolarHBondContact O-N 2.9Å; C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.37Å; C24-L28 PolarHBondContact O-N 3.19Å |
| 25 | I | 92.4 | Very high | 90.2 | Very high | 115 Ų | 115 | 98.5 Ų | 98.5 | 59% | 0.59 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 177.8 | -69.9 | 162.8 | 0 | 0 | 0 | 111.1 | L21 I22 A23 G29 | L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.9Å; I22-I25 PolarHBondContact O-N 3.29Å; A23-I25 PolarHBondContact O-N 3.38Å; I25-G29 PolarHBondContact O-N 2.8Å |
| 26 | L | 93.1 | Very high | 90.9 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 176.9 | -71 | 172.7 | 0 | 0 | 0 | 112.4 | I22 A23 C24 G29 F30 | I22-L26 HydrophobicContact CG2-CD1 4.23Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 3Å; A23-L26 PolarHBondContact O-N 3.08Å; C24-L26 VanDerWaalsContact C-N 3.35Å; C24-L26 PolarHBondContact O-N 3.41Å; L26-G29 PolarHBondContact O-N 3.47Å; L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 PolarHBondContact O-N 3.12Å |
| 27 | V | 93.8 | Very high | 91.3 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | A23 C24 F30 N31 | A23-V27 WeakPolarHBondContact O-CG2 3.44Å; A23-V27 PolarHBondContact O-N 3.47Å; C24-V27 PolarHBondContact O-N 2.9Å; V27-F30 PolarHBondContact O-N 3.06Å; V27-N31 VanDerWaalsContact O-CB 3.3Å; V27-N31 WeakPolarHBondContact O-CB 3.27Å; V27-N31 PolarHBondContact O-N 3.36Å |
| 28 | L | 94.1 | Very high | 91.7 | Very high | 120 Ų | 120 | 94.9 Ų | 94.9 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -40 | 175.6 | -71 | 171.9 | 0 | 0 | 0 | 111.8 | C24 N31 Y32 | C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.37Å; C24-L28 PolarHBondContact O-N 3.19Å; L28-N31 PolarHBondContact O-N 2.92Å; L28-Y32 VanDerWaalsContact O-CB 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.23Å; L28-Y32 PolarHBondContact O-N 3.32Å |
| 29 | G | 94.8 | Very high | 91.8 | Very high | 39 Ų | 39 | 95.9 Ų | 95.9 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I25 L26 W33 | I25-G29 PolarHBondContact O-N 2.8Å; L26-G29 PolarHBondContact O-N 3.47Å; G29-W33 VanDerWaalsContact O-CB 3.3Å; G29-W33 WeakPolarHBondContact O-CB 3.49Å; G29-W33 PolarHBondContact O-N 2.86Å |
| 30 | F | 94.6 | Very high | 91.9 | Very high | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.614 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.4 | -41.5 | 174.6 | -177 | -101.2 | 0 | 0 | 0 | 112.2 | L26 V27 W33 V34 | L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 PolarHBondContact O-N 3.12Å; V27-F30 PolarHBondContact O-N 3.06Å; F30-W33 PolarHBondContact O-N 3.16Å; F30-V34 HydrophobicContact CD1-CG2 4.23Å; F30-V34 HydrophobicContact CE1-CG2 3.8Å; F30-V34 HydrophobicContact CE2-CG2 4.14Å; F30-V34 HydrophobicContact CZ-CG2 3.75Å; F30-V34 WeakPolarHBondContact O-CG2 3.42Å; F30-V34 PolarHBondContact O-N 2.88Å |
| 31 | N | 94.1 | Very high | 92 | Very high | 104 Ų | 104 | 100.5 Ų | 100.5 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 175.9 | -168.2 | -34.9 | 0 | 0 | 0 | 111 | V27 L28 W33 V34 S35 | V27-N31 VanDerWaalsContact O-CB 3.3Å; V27-N31 WeakPolarHBondContact O-CB 3.27Å; V27-N31 PolarHBondContact O-N 3.36Å; L28-N31 PolarHBondContact O-N 2.92Å; N31-W33 VanDerWaalsContact C-N 3.34Å; N31-W33 PolarHBondContact O-N 3.07Å; N31-V34 PolarHBondContact O-N 2.85Å; N31-S35 VanDerWaalsContact O-CB 3.24Å; N31-S35 WeakPolarHBondContact O-CB 3.23Å; N31-S35 PolarHBondContact O-N 2.83Å |
| 32 | Y | 94.7 | Very high | 92.1 | Very high | 170 Ų | 170 | 100.6 Ų | 100.6 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.4 | -42.1 | 172.4 | 179.3 | -98.6 | 0 | 0 | 0 | 112.2 | L28 S35 S36 | L28-Y32 VanDerWaalsContact O-CB 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.23Å; L28-Y32 PolarHBondContact O-N 3.32Å; Y32-S35 PolarHBondContact O-N 3.47Å; Y32-S36 WeakPolarHBondContact O-CB 3.38Å; Y32-S36 PolarHBondContact O-N 3.14Å |
| 33 | W | 93.7 | Very high | 92.2 | Very high | 183 Ų | 183 | 100.2 Ų | 100.2 | 69% | 0.693 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -48 | 176.5 | -177.9 | -93.9 | 0 | 0 | 0 | 112.4 | G29 F30 N31 S35 S36 S37 | G29-W33 VanDerWaalsContact O-CB 3.3Å; G29-W33 WeakPolarHBondContact O-CB 3.49Å; G29-W33 PolarHBondContact O-N 2.86Å; F30-W33 PolarHBondContact O-N 3.16Å; N31-W33 VanDerWaalsContact C-N 3.34Å; N31-W33 PolarHBondContact O-N 3.07Å; W33-S35 VanDerWaalsContact C-N 3.35Å; W33-S35 PolarHBondContact O-N 3.04Å; W33-S36 PolarHBondContact O-N 2.86Å; W33-S37 VanDerWaalsContact O-CB 3.28Å; W33-S37 WeakPolarHBondContact O-CB 3.49Å; W33-S37 PolarHBondContact O-N 3.48Å |
| 34 | V | 92.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 101.7 Ų | 101.7 | 29% | 0.285 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | F30 N31 R38 | F30-V34 HydrophobicContact CD1-CG2 4.23Å; F30-V34 HydrophobicContact CE1-CG2 3.8Å; F30-V34 HydrophobicContact CE2-CG2 4.14Å; F30-V34 HydrophobicContact CZ-CG2 3.75Å; F30-V34 WeakPolarHBondContact O-CG2 3.42Å; F30-V34 PolarHBondContact O-N 2.88Å; N31-V34 PolarHBondContact O-N 2.85Å; V34-R38 WeakPolarHBondContact O-CG 3.38Å; V34-R38 PolarHBondContact O-N 2.92Å |
| 35 | S | 90.9 | Very high | 92.3 | Very high | 68 Ų | 68 | 103.2 Ų | 103.2 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -48.1 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | N31 Y32 W33 S37 R38 N39 | N31-S35 VanDerWaalsContact O-CB 3.24Å; N31-S35 WeakPolarHBondContact O-CB 3.23Å; N31-S35 PolarHBondContact O-N 2.83Å; Y32-S35 PolarHBondContact O-N 3.47Å; W33-S35 VanDerWaalsContact C-N 3.35Å; W33-S35 PolarHBondContact O-N 3.04Å; S35-S37 PolarHBondContact O-N 3.45Å; S35-R38 PolarHBondContact O-N 3.45Å; S35-N39 WeakPolarHBondContact O-CB 3.22Å; S35-N39 PolarHBondContact O-N 3.39Å |
| 36 | S | 90.5 | Very high | 92.2 | Very high | 49 Ų | 49 | 103.3 Ų | 103.3 | 34% | 0.343 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | Y32 W33 R38 N39 L40 | Y32-S36 WeakPolarHBondContact O-CB 3.38Å; Y32-S36 PolarHBondContact O-N 3.14Å; W33-S36 PolarHBondContact O-N 2.86Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 3.05Å; S36-N39 PolarHBondContact O-N 3.33Å; S36-L40 WeakPolarHBondContact O-CB 3.46Å; S36-L40 PolarHBondContact O-N 3.21Å |
| 37 | S | 89.5 | Confident | 92.1 | Very high | 69 Ų | 69 | 105.2 Ų | 105.2 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | W33 S35 E41 | W33-S37 VanDerWaalsContact O-CB 3.28Å; W33-S37 WeakPolarHBondContact O-CB 3.49Å; W33-S37 PolarHBondContact O-N 3.48Å; S35-S37 PolarHBondContact O-N 3.45Å; S37-E41 PolarHBondContact O-N 2.91Å; S37-E41 VanDerWaalsContact O-N 3.13Å |
| 38 | R | 90.9 | Very high | 92 | Very high | 167 Ų | 167 | 106 Ų | 106 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.8 | -40 | 175.8 | -73.5 | 173 | 172.1 | 171.5 | -2.5 | 112 | V34 S35 S36 L40 E41 L42 | V34-R38 WeakPolarHBondContact O-CG 3.38Å; V34-R38 PolarHBondContact O-N 2.92Å; S35-R38 PolarHBondContact O-N 3.45Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 3.05Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 2.91Å; R38-E41 WeakPolarHBondContact O-CB 3.33Å; R38-E41 PolarHBondContact O-N 3.49Å; R38-L42 VanDerWaalsContact O-CD1 3.3Å; R38-L42 WeakPolarHBondContact O-CD1 3.42Å; R38-L42 PolarHBondContact O-N 2.82Å |
| 39 | N | 88.6 | Confident | 91.9 | Very high | 89 Ų | 89 | 105 Ų | 105 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 175.9 | -165.5 | 5.3 | 0 | 0 | 0 | 111.4 | S35 S36 L42 Q43 | S35-N39 WeakPolarHBondContact O-CB 3.22Å; S35-N39 PolarHBondContact O-N 3.39Å; S36-N39 PolarHBondContact O-N 3.33Å; N39-L42 PolarHBondContact O-N 2.88Å; N39-Q43 WeakPolarHBondContact O-CG 3.49Å; N39-Q43 PolarHBondContact O-N 3.31Å; N39-Q43 PolarHBondContact OD1-NE2 3.4Å |
| 40 | L | 90 | Very high | 91.8 | Very high | 108 Ų | 108 | 106.9 Ų | 106.9 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -37.5 | 174.8 | -172.8 | 66.9 | 0 | 0 | 0 | 112.7 | S36 R38 Q43 T44 | S36-L40 WeakPolarHBondContact O-CB 3.46Å; S36-L40 PolarHBondContact O-N 3.21Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 2.91Å; L40-Q43 PolarHBondContact O-N 3.41Å; L40-T44 WeakPolarHBondContact O-CB 3.45Å; L40-T44 PolarHBondContact O-N 2.84Å; L40-T44 PolarHBondContact O-OG1 2.8Å |
| 41 | E | 91.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 173 | -166.4 | -162.7 | 142.8 | 0 | 0 | 111.5 | S37 R38 T44 K45 | S37-E41 PolarHBondContact O-N 2.91Å; S37-E41 VanDerWaalsContact O-N 3.13Å; R38-E41 WeakPolarHBondContact O-CB 3.33Å; R38-E41 PolarHBondContact O-N 3.49Å; E41-T44 PolarHBondContact O-N 3.08Å; E41-K45 HydrophobicContact CG-CD 4.49Å; E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 3.28Å; E41-K45 IonicContact OE1-NZ 2.65Å; E41-K45 PolarHBondContact OE1-NZ 3.02Å |
| 42 | L | 90.8 | Very high | 91.5 | Very high | 107 Ų | 107 | 101.1 Ų | 101.1 | 56% | 0.56 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 176.5 | -94.8 | 68.3 | 0 | 0 | 0 | 112.1 | R38 N39 K45 L46 | R38-L42 VanDerWaalsContact O-CD1 3.3Å; R38-L42 WeakPolarHBondContact O-CD1 3.42Å; R38-L42 PolarHBondContact O-N 2.82Å; N39-L42 PolarHBondContact O-N 2.88Å; L42-K45 PolarHBondContact O-N 3.46Å; L42-L46 PolarHBondContact O-N 3.36Å |
| 43 | Q | 92.1 | Very high | 91.4 | Very high | 87 Ų | 87 | 98 Ų | 98 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175 | -73.3 | 177.8 | 16.7 | 0 | 0 | 111.8 | N39 L40 K45 L46 Y47 | N39-Q43 WeakPolarHBondContact O-CG 3.49Å; N39-Q43 PolarHBondContact O-N 3.31Å; N39-Q43 PolarHBondContact OD1-NE2 3.4Å; L40-Q43 PolarHBondContact O-N 3.41Å; Q43-K45 VanDerWaalsContact C-N 3.34Å; Q43-K45 PolarHBondContact O-N 2.92Å; Q43-L46 PolarHBondContact O-N 3.41Å; Q43-Y47 WeakPolarHBondContact O-CD2 3.42Å; Q43-Y47 PolarHBondContact O-N 2.87Å |
| 44 | T | 91.1 | Very high | 91.3 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.1 | -55 | 0 | 0 | 0 | 0 | 111.1 | L40 E41 L46 Y47 E48 | L40-T44 WeakPolarHBondContact O-CB 3.45Å; L40-T44 PolarHBondContact O-N 2.84Å; L40-T44 PolarHBondContact O-OG1 2.8Å; E41-T44 PolarHBondContact O-N 3.08Å; T44-L46 PolarHBondContact O-N 3.5Å; T44-Y47 PolarHBondContact O-N 3.28Å; T44-E48 PolarHBondContact O-N 3.01Å |
| 45 | K | 93.8 | Very high | 91.3 | Very high | 105 Ų | 105 | 103 Ų | 103 | 46% | 0.457 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 176.5 | -75.2 | 171.6 | 172.1 | 173.2 | 0 | 113.1 | E41 L42 Q43 E48 L49 | E41-K45 HydrophobicContact CG-CD 4.49Å; E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 3.28Å; E41-K45 IonicContact OE1-NZ 2.65Å; E41-K45 PolarHBondContact OE1-NZ 3.02Å; L42-K45 PolarHBondContact O-N 3.46Å; Q43-K45 VanDerWaalsContact C-N 3.34Å; Q43-K45 PolarHBondContact O-N 2.92Å; K45-E48 PolarHBondContact O-N 3.36Å; K45-L49 WeakPolarHBondContact O-CB 3.33Å; K45-L49 WeakPolarHBondContact O-CG 3.47Å; K45-L49 PolarHBondContact O-N 2.97Å |
| 46 | L | 91.2 | Very high | 91.3 | Very high | 118 Ų | 118 | 100.8 Ų | 100.8 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 172.7 | -88.4 | 168.5 | 0 | 0 | 0 | 112.1 | L42 Q43 T44 E48 L49 E50 | L42-L46 PolarHBondContact O-N 3.36Å; Q43-L46 PolarHBondContact O-N 3.41Å; T44-L46 PolarHBondContact O-N 3.5Å; L46-E48 VanDerWaalsContact C-N 3.33Å; L46-E48 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-E50 WeakPolarHBondContact O-CB 3.29Å; L46-E50 PolarHBondContact O-N 2.84Å |
| 47 | Y | 90.4 | Very high | 91.4 | Very high | 162 Ų | 162 | 101.3 Ų | 101.3 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -33.9 | 176.1 | -74.5 | -59 | 0 | 0 | 0 | 112.9 | Q43 T44 G51 | Q43-Y47 WeakPolarHBondContact O-CD2 3.42Å; Q43-Y47 PolarHBondContact O-N 2.87Å; T44-Y47 PolarHBondContact O-N 3.28Å; Y47-G51 PolarHBondContact O-N 3.47Å |
| 48 | E | 92.6 | Very high | 91.5 | Very high | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 173 | -170.2 | -178.3 | 174.1 | 0 | 0 | 111.4 | T44 K45 L46 E50 G51 Q52 | T44-E48 PolarHBondContact O-N 3.01Å; K45-E48 PolarHBondContact O-N 3.36Å; L46-E48 VanDerWaalsContact C-N 3.33Å; L46-E48 PolarHBondContact O-N 2.88Å; E48-E50 PolarHBondContact O-N 2.86Å; E48-G51 CarbonylContact O-C 3.58Å; E48-G51 WeakPolarHBondContact O-CA 3.32Å; E48-G51 PolarHBondContact O-N 2.98Å; E48-G51 VanDerWaalsContact O-N 3.16Å; E48-Q52 WeakPolarHBondContact O-CG 3.25Å; E48-Q52 PolarHBondContact O-N 3.25Å; E48-Q52 PolarHBondContact OE1-NE2 3.43Å |
| 49 | L | 92.4 | Very high | 91.5 | Very high | 98 Ų | 98 | 99.2 Ų | 99.2 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.2 | -78.5 | 163.5 | 0 | 0 | 0 | 112.1 | K45 L46 G51 Q52 V53 | K45-L49 WeakPolarHBondContact O-CB 3.33Å; K45-L49 WeakPolarHBondContact O-CG 3.47Å; K45-L49 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 3.44Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.47Å; L49-Q52 PolarHBondContact O-N 2.83Å; L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 2.9Å |
| 50 | E | 92.8 | Very high | 91.8 | Very high | 80 Ų | 80 | 103.4 Ų | 103.4 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 173.8 | -164.4 | -164.2 | 163.7 | 0 | 0 | 111.1 | L46 E48 V53 R54 | L46-E50 WeakPolarHBondContact O-CB 3.29Å; L46-E50 PolarHBondContact O-N 2.84Å; E48-E50 PolarHBondContact O-N 2.86Å; E50-V53 PolarHBondContact O-N 2.68Å; E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 WeakPolarHBondContact O-CG 3.37Å; E50-R54 PolarHBondContact O-N 3.36Å; E50-R54 IonicContact OE1-CZ 2.88Å; E50-R54 IonicContact OE1-NE 3.17Å; E50-R54 PolarHBondContact OE1-NE 3.25Å; E50-R54 IonicContact OE1-NH2 2.65Å; E50-R54 PolarHBondContact OE1-NH2 2.83Å |
| 51 | G | 88.4 | Confident | 91.9 | Very high | 21 Ų | 21 | 99.7 Ų | 99.7 | 22% | 0.216 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y47 E48 L49 R55 | Y47-G51 PolarHBondContact O-N 3.47Å; E48-G51 CarbonylContact O-C 3.58Å; E48-G51 WeakPolarHBondContact O-CA 3.32Å; E48-G51 PolarHBondContact O-N 2.98Å; E48-G51 VanDerWaalsContact O-N 3.16Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.47Å; G51-R55 WeakPolarHBondContact O-CG 3.3Å; G51-R55 PolarHBondContact O-N 3.44Å; G51-R55 VanDerWaalsContact O-N 3.11Å |
| 52 | Q | 92.9 | Very high | 92 | Very high | 101 Ų | 101 | 99.4 Ų | 99.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 174.6 | -69.4 | 179 | 18.5 | 0 | 0 | 111.5 | E48 L49 R54 R55 G56 | E48-Q52 WeakPolarHBondContact O-CG 3.25Å; E48-Q52 PolarHBondContact O-N 3.25Å; E48-Q52 PolarHBondContact OE1-NE2 3.43Å; L49-Q52 PolarHBondContact O-N 2.83Å; Q52-R54 PolarHBondContact O-N 3.46Å; Q52-R55 PolarHBondContact O-N 2.88Å; Q52-G56 PolarHBondContact O-N 2.76Å |
| 53 | V | 93.6 | Very high | 92.1 | Very high | 104 Ų | 104 | 97.1 Ų | 97.1 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 175.9 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | L49 E50 R55 G56 A57 | L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 2.9Å; E50-V53 PolarHBondContact O-N 2.68Å; V53-R55 PolarHBondContact O-N 2.88Å; V53-G56 PolarHBondContact O-N 3.26Å; V53-A57 VanDerWaalsContact O-CB 3.27Å; V53-A57 WeakPolarHBondContact O-CB 3.39Å; V53-A57 PolarHBondContact O-N 3.39Å |
| 54 | R | 91.6 | Very high | 92.2 | Very high | 170 Ų | 170 | 98.5 Ų | 98.5 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 176.7 | -72.9 | 175.4 | -179.1 | -134.1 | 8.9 | 112.4 | E50 Q52 A58 | E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 WeakPolarHBondContact O-CG 3.37Å; E50-R54 PolarHBondContact O-N 3.36Å; E50-R54 IonicContact OE1-CZ 2.88Å; E50-R54 IonicContact OE1-NE 3.17Å; E50-R54 PolarHBondContact OE1-NE 3.25Å; E50-R54 IonicContact OE1-NH2 2.65Å; E50-R54 PolarHBondContact OE1-NH2 2.83Å; Q52-R54 PolarHBondContact O-N 3.46Å; R54-A58 PolarHBondContact O-N 2.87Å; R54-A58 VanDerWaalsContact O-N 3.16Å |
| 55 | R | 91.7 | Very high | 92.4 | Very high | 166 Ų | 166 | 101 Ų | 101 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68 | -50.1 | 174.7 | -70.2 | 177 | -146.8 | 163 | 8 | 111.7 | G51 Q52 V53 A57 A58 E59 | G51-R55 WeakPolarHBondContact O-CG 3.3Å; G51-R55 PolarHBondContact O-N 3.44Å; G51-R55 VanDerWaalsContact O-N 3.11Å; Q52-R55 PolarHBondContact O-N 2.88Å; V53-R55 PolarHBondContact O-N 2.88Å; R55-A57 PolarHBondContact O-N 3.31Å; R55-A58 WeakPolarHBondContact O-CB 3.47Å; R55-A58 PolarHBondContact O-N 3.1Å; R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 2.76Å |
| 56 | G | 91.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 101.7 Ų | 101.7 | 23% | 0.227 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -60.8 | -31.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q52 V53 R60 | Q52-G56 PolarHBondContact O-N 2.76Å; V53-G56 PolarHBondContact O-N 3.26Å; G56-R60 VanDerWaalsContact O-CB 3.32Å; G56-R60 WeakPolarHBondContact O-CB 3.36Å; G56-R60 WeakPolarHBondContact O-CG 3.49Å; G56-R60 PolarHBondContact O-N 3.38Å |
| 57 | A | 92.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 102.6 Ų | 102.6 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V53 R55 G61 | V53-A57 VanDerWaalsContact O-CB 3.27Å; V53-A57 WeakPolarHBondContact O-CB 3.39Å; V53-A57 PolarHBondContact O-N 3.39Å; R55-A57 PolarHBondContact O-N 3.31Å; A57-G61 PolarHBondContact O-N 2.91Å |
| 58 | A | 91.1 | Very high | 93.1 | Very high | 62 Ų | 62 | 99.1 Ų | 99.1 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R54 R55 G61 V62 | R54-A58 PolarHBondContact O-N 2.87Å; R54-A58 VanDerWaalsContact O-N 3.16Å; R55-A58 WeakPolarHBondContact O-CB 3.47Å; R55-A58 PolarHBondContact O-N 3.1Å; A58-G61 PolarHBondContact O-N 2.66Å; A58-V62 WeakPolarHBondContact O-CG2 3.31Å; A58-V62 PolarHBondContact O-N 3.24Å |
| 59 | E | 91.8 | Very high | 93.3 | Very high | 131 Ų | 131 | 98.8 Ų | 98.8 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 175.9 | -71.8 | 162.5 | -160.7 | 0 | 0 | 111.6 | R55 V62 A63 | R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 2.76Å; E59-V62 PolarHBondContact O-N 2.91Å; E59-A63 PolarHBondContact O-N 2.96Å |
| 60 | R | 93.2 | Very high | 93.5 | Very high | 177 Ų | 177 | 99.8 Ų | 99.8 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 171.3 | -76.9 | 172.7 | -174.3 | 175.6 | 2 | 112.2 | G56 V62 A63 E64 | G56-R60 VanDerWaalsContact O-CB 3.32Å; G56-R60 WeakPolarHBondContact O-CB 3.36Å; G56-R60 WeakPolarHBondContact O-CG 3.49Å; G56-R60 PolarHBondContact O-N 3.38Å; R60-V62 VanDerWaalsContact C-N 3.29Å; R60-V62 PolarHBondContact O-N 3.37Å; R60-A63 CarbonylContact O-C 3.59Å; R60-A63 PolarHBondContact O-N 2.83Å; R60-E64 WeakPolarHBondContact O-CB 3.24Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 3.01Å |
| 61 | G | 92.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 100.5 Ų | 100.5 | 30% | 0.299 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A57 A58 M65 | A57-G61 PolarHBondContact O-N 2.91Å; A58-G61 PolarHBondContact O-N 2.66Å; G61-M65 VanDerWaalsContact O-CG 3.25Å; G61-M65 WeakPolarHBondContact O-CG 3.32Å; G61-M65 PolarHBondContact O-N 2.93Å |
| 62 | V | 93.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 102.9 Ų | 102.9 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | A58 E59 R60 K66 | A58-V62 WeakPolarHBondContact O-CG2 3.31Å; A58-V62 PolarHBondContact O-N 3.24Å; E59-V62 PolarHBondContact O-N 2.91Å; R60-V62 VanDerWaalsContact C-N 3.29Å; R60-V62 PolarHBondContact O-N 3.37Å; V62-K66 PolarHBondContact O-N 2.83Å; V62-K66 VanDerWaalsContact O-N 3.14Å |
| 63 | A | 93.9 | Very high | 94.5 | Very high | 59 Ų | 59 | 101.9 Ų | 101.9 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E59 R60 K66 K67 | E59-A63 PolarHBondContact O-N 2.96Å; R60-A63 CarbonylContact O-C 3.59Å; R60-A63 PolarHBondContact O-N 2.83Å; A63-K66 PolarHBondContact O-N 3.3Å; A63-K67 WeakPolarHBondContact O-CB 3.38Å; A63-K67 PolarHBondContact O-N 3.46Å |
| 64 | E | 95 | Very high | 94.7 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 175.5 | -74.4 | 168.8 | -163.4 | 0 | 0 | 111.5 | R60 K66 K67 N68 | R60-E64 WeakPolarHBondContact O-CB 3.24Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 3.01Å; E64-K66 PolarHBondContact O-N 3.49Å; E64-K67 PolarHBondContact O-N 3.22Å; E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 PolarHBondContact O-N 3.39Å; E64-N68 PolarHBondContact O-ND2 2.94Å; E64-N68 PolarHBondContact O-OD1 2.88Å |
| 65 | M | 94.5 | Very high | 95 | Very high | 137 Ų | 137 | 99.2 Ų | 99.2 | 68% | 0.675 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.2 | -46.7 | 173.2 | -73.9 | -68 | -171.8 | 0 | 0 | 111.9 | G61 N68 E69 | G61-M65 VanDerWaalsContact O-CG 3.25Å; G61-M65 WeakPolarHBondContact O-CG 3.32Å; G61-M65 PolarHBondContact O-N 2.93Å; M65-N68 PolarHBondContact O-N 2.98Å; M65-E69 PolarHBondContact O-N 3.46Å |
| 66 | K | 96.1 | Very high | 95.3 | Very high | 121 Ų | 121 | 96.2 Ų | 96.2 | 53% | 0.526 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 176.2 | -73.7 | -174.6 | 174.5 | -170.4 | 0 | 113 | V62 A63 E64 N68 E69 F70 | V62-K66 PolarHBondContact O-N 2.83Å; V62-K66 VanDerWaalsContact O-N 3.14Å; A63-K66 PolarHBondContact O-N 3.3Å; E64-K66 PolarHBondContact O-N 3.49Å; K66-N68 VanDerWaalsContact C-N 3.33Å; K66-E69 PolarHBondContact O-N 3.31Å; K66-F70 WeakPolarHBondContact O-CD2 3.29Å; K66-F70 PolarHBondContact O-N 2.91Å |
| 67 | K | 97 | Very high | 95.6 | Very high | 136 Ų | 136 | 100.7 Ų | 100.7 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 174.1 | -179.1 | -171.9 | 171.2 | -172 | 0 | 110.8 | A63 E64 E69 F70 Q71 | A63-K67 WeakPolarHBondContact O-CB 3.38Å; A63-K67 PolarHBondContact O-N 3.46Å; E64-K67 PolarHBondContact O-N 3.22Å; K67-E69 VanDerWaalsContact C-N 3.35Å; K67-F70 PolarHBondContact O-N 3.45Å; K67-Q71 WeakPolarHBondContact O-CB 3.3Å; K67-Q71 PolarHBondContact O-N 2.95Å |
| 68 | N | 97.1 | Very high | 95.9 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 179 | -64 | -16.6 | 0 | 0 | 0 | 111.4 | E64 M65 K66 Q71 D72 | E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 PolarHBondContact O-N 3.39Å; E64-N68 PolarHBondContact O-ND2 2.94Å; E64-N68 PolarHBondContact O-OD1 2.88Å; M65-N68 PolarHBondContact O-N 2.98Å; K66-N68 VanDerWaalsContact C-N 3.33Å; N68-Q71 PolarHBondContact O-N 2.86Å; N68-D72 WeakPolarHBondContact O-CB 3.44Å; N68-D72 PolarHBondContact O-N 2.93Å |
| 69 | E | 96.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 106.2 Ų | 106.2 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 174.4 | -175.1 | -178.7 | -178.5 | 0 | 0 | 112.1 | M65 K66 K67 Q71 D72 Q73 | M65-E69 PolarHBondContact O-N 3.46Å; K66-E69 PolarHBondContact O-N 3.31Å; K67-E69 VanDerWaalsContact C-N 3.35Å; E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 3.34Å; E69-D72 PolarHBondContact O-N 3.4Å; E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.5Å |
| 70 | F | 97.4 | Very high | 96.5 | Very high | 120 Ų | 120 | 106 Ų | 106 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 174.7 | -70.2 | -55.5 | 0 | 0 | 0 | 112.5 | K66 K67 Q73 I74 | K66-F70 WeakPolarHBondContact O-CD2 3.29Å; K66-F70 PolarHBondContact O-N 2.91Å; K67-F70 PolarHBondContact O-N 3.45Å; F70-Q73 PolarHBondContact O-N 3.27Å; F70-I74 WeakPolarHBondContact O-CB 3.48Å; F70-I74 WeakPolarHBondContact O-CD1 3.49Å; F70-I74 VanDerWaalsContact O-CG1 3.23Å; F70-I74 WeakPolarHBondContact O-CG1 3.41Å; F70-I74 PolarHBondContact O-N 3.23Å |
| 71 | Q | 97.8 | Very high | 96.8 | Very high | 95 Ų | 95 | 102.8 Ų | 102.8 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 177.4 | -174.8 | 174.1 | -29.5 | 0 | 0 | 112.2 | K67 N68 E69 I74 Q75 | K67-Q71 WeakPolarHBondContact O-CB 3.3Å; K67-Q71 PolarHBondContact O-N 2.95Å; N68-Q71 PolarHBondContact O-N 2.86Å; E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 3.34Å; Q71-I74 PolarHBondContact O-N 2.91Å; Q71-Q75 WeakPolarHBondContact O-CB 3.48Å; Q71-Q75 VanDerWaalsContact O-CG 3.3Å; Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 2.93Å |
| 72 | D | 97.9 | Very high | 97 | Very high | 70 Ų | 70 | 104.4 Ų | 104.4 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 172.9 | 164.9 | 80.8 | 0 | 0 | 0 | 112 | N68 E69 Q75 K76 | N68-D72 WeakPolarHBondContact O-CB 3.44Å; N68-D72 PolarHBondContact O-N 2.93Å; E69-D72 PolarHBondContact O-N 3.4Å; D72-Q75 PolarHBondContact O-N 3.21Å; D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 3.38Å; D72-K76 WeakPolarHBondContact OD1-CE 3.34Å; D72-K76 IonicContact OD1-NZ 2.65Å; D72-K76 PolarHBondContact OD1-NZ 2.84Å; D72-K76 WeakPolarHBondContact OD2-CE 3.3Å; D72-K76 IonicContact OD2-NZ 2.71Å; D72-K76 PolarHBondContact OD2-NZ 2.93Å |
| 73 | Q | 98.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 106.1 Ų | 106.1 | 38% | 0.379 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 174 | -70 | 176.7 | 26.3 | 0 | 0 | 112.3 | E69 F70 K76 Q77 | E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.5Å; F70-Q73 PolarHBondContact O-N 3.27Å; Q73-K76 PolarHBondContact O-N 3.16Å; Q73-Q77 WeakPolarHBondContact O-CG 3.48Å; Q73-Q77 PolarHBondContact O-N 3.06Å |
| 74 | I | 98 | Very high | 97.5 | Very high | 101 Ų | 101 | 107 Ų | 107 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.6 | -70.5 | 163.9 | 0 | 0 | 0 | 110.8 | F70 Q71 K76 Q77 V78 | F70-I74 WeakPolarHBondContact O-CB 3.48Å; F70-I74 WeakPolarHBondContact O-CD1 3.49Å; F70-I74 VanDerWaalsContact O-CG1 3.23Å; F70-I74 WeakPolarHBondContact O-CG1 3.41Å; F70-I74 PolarHBondContact O-N 3.23Å; Q71-I74 PolarHBondContact O-N 2.91Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.98Å; I74-Q77 PolarHBondContact O-N 3.32Å; I74-V78 HydrophobicContact CG2-CG2 4.42Å; I74-V78 WeakPolarHBondContact O-CG2 3.36Å; I74-V78 PolarHBondContact O-N 2.85Å |
| 75 | Q | 98 | Very high | 97.6 | Very high | 117 Ų | 117 | 105.7 Ų | 105.7 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 177.1 | -78.2 | 178.1 | -16.3 | 0 | 0 | 112 | Q71 D72 V78 E79 | Q71-Q75 WeakPolarHBondContact O-CB 3.48Å; Q71-Q75 VanDerWaalsContact O-CG 3.3Å; Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 2.93Å; D72-Q75 PolarHBondContact O-N 3.21Å; Q75-V78 PolarHBondContact O-N 3.38Å; Q75-E79 PolarHBondContact O-N 3.35Å |
| 76 | K | 98.2 | Very high | 97.8 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.4 | -73.4 | 163.5 | -177.7 | 164.8 | 0 | 112.4 | D72 Q73 I74 V78 E79 E80 | D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 3.38Å; D72-K76 WeakPolarHBondContact OD1-CE 3.34Å; D72-K76 IonicContact OD1-NZ 2.65Å; D72-K76 PolarHBondContact OD1-NZ 2.84Å; D72-K76 WeakPolarHBondContact OD2-CE 3.3Å; D72-K76 IonicContact OD2-NZ 2.71Å; D72-K76 PolarHBondContact OD2-NZ 2.93Å; Q73-K76 PolarHBondContact O-N 3.16Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.98Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 2.85Å; K76-E79 PolarHBondContact O-N 3.32Å; K76-E80 WeakPolarHBondContact O-CG 3.44Å; K76-E80 PolarHBondContact O-N 3.26Å |
| 77 | Q | 98 | Very high | 97.9 | Very high | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.6 | -72.2 | -179.3 | 4.1 | 0 | 0 | 112.2 | Q73 I74 E80 I81 | Q73-Q77 WeakPolarHBondContact O-CG 3.48Å; Q73-Q77 PolarHBondContact O-N 3.06Å; I74-Q77 PolarHBondContact O-N 3.32Å; Q77-E80 PolarHBondContact O-N 2.88Å; Q77-I81 WeakPolarHBondContact O-CB 3.39Å; Q77-I81 WeakPolarHBondContact O-CD1 3.44Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 3.4Å |
| 78 | V | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 100.4 Ų | 100.4 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | I74 Q75 K76 S82 | I74-V78 HydrophobicContact CG2-CG2 4.42Å; I74-V78 WeakPolarHBondContact O-CG2 3.36Å; I74-V78 PolarHBondContact O-N 2.85Å; Q75-V78 PolarHBondContact O-N 3.38Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 2.85Å; V78-S82 WeakPolarHBondContact O-CB 3.41Å; V78-S82 PolarHBondContact O-N 2.73Å |
| 79 | E | 98.3 | Very high | 98 | Very high | 146 Ų | 146 | 101.9 Ų | 101.9 | 68% | 0.682 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.5 | -42.7 | 175.3 | -172.3 | 168.9 | -160 | 0 | 0 | 112.1 | Q75 K76 S82 H83 | Q75-E79 PolarHBondContact O-N 3.35Å; K76-E79 PolarHBondContact O-N 3.32Å; E79-S82 PolarHBondContact O-N 2.9Å; E79-H83 WeakPolarHBondContact O-CB 3.43Å; E79-H83 PolarHBondContact O-N 3.5Å |
| 80 | E | 98.3 | Very high | 98.1 | Very high | 126 Ų | 126 | 102.8 Ų | 102.8 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 174.2 | -74.3 | 177.7 | -177.8 | 0 | 0 | 112.1 | K76 Q77 H83 I84 | K76-E80 WeakPolarHBondContact O-CG 3.44Å; K76-E80 PolarHBondContact O-N 3.26Å; Q77-E80 PolarHBondContact O-N 2.88Å; E80-H83 PolarHBondContact O-N 3.31Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.43Å; E80-I84 PolarHBondContact O-N 2.98Å |
| 81 | I | 98 | Very high | 98.1 | Very high | 111 Ų | 111 | 102.7 Ų | 102.7 | 57% | 0.569 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.8 | -47.1 | 175.8 | -71 | 165 | 0 | 0 | 0 | 110.2 | Q77 H83 I84 E85 | Q77-I81 WeakPolarHBondContact O-CB 3.39Å; Q77-I81 WeakPolarHBondContact O-CD1 3.44Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 3.4Å; I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 PolarHBondContact O-N 3.31Å; I81-I84 PolarHBondContact O-N 2.78Å; I81-E85 VanDerWaalsContact O-CB 3.27Å; I81-E85 WeakPolarHBondContact O-CB 3.4Å; I81-E85 PolarHBondContact O-N 2.62Å |
| 82 | S | 98.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 103.7 Ų | 103.7 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 176.9 | -178 | 0 | 0 | 0 | 0 | 112.1 | V78 E79 E85 S86 | V78-S82 WeakPolarHBondContact O-CB 3.41Å; V78-S82 PolarHBondContact O-N 2.73Å; E79-S82 PolarHBondContact O-N 2.9Å; S82-E85 PolarHBondContact O-N 2.74Å; S82-S86 WeakPolarHBondContact O-CB 3.36Å; S82-S86 PolarHBondContact O-N 3.32Å |
| 83 | H | 98.4 | Very high | 98.1 | Very high | 124 Ų | 124 | 105.2 Ų | 105.2 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -51.4 | 175.3 | -175.1 | 85.4 | 0 | 0 | 0 | 111.5 | E79 E80 I81 E85 S86 L87 | E79-H83 WeakPolarHBondContact O-CB 3.43Å; E79-H83 PolarHBondContact O-N 3.5Å; E80-H83 PolarHBondContact O-N 3.31Å; I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 PolarHBondContact O-N 3.31Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-E85 PolarHBondContact O-N 3.06Å; H83-S86 PolarHBondContact O-N 3.4Å; H83-S86 PolarHBondContact O-OG 3.43Å; H83-L87 PolarHBondContact O-N 2.86Å |
| 84 | I | 98.2 | Very high | 98.1 | Very high | 76 Ų | 76 | 104.5 Ų | 104.5 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 178.2 | -67.6 | 165.1 | 0 | 0 | 0 | 111 | E80 I81 L87 R88 | E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.43Å; E80-I84 PolarHBondContact O-N 2.98Å; I81-I84 PolarHBondContact O-N 2.78Å; I84-L87 PolarHBondContact O-N 3.04Å; I84-R88 WeakPolarHBondContact O-CG 3.49Å; I84-R88 PolarHBondContact O-N 3.5Å |
| 85 | E | 97.9 | Very high | 98.1 | Very high | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.7 | -161.9 | -160.3 | -174.3 | 0 | 0 | 111.5 | I81 S82 H83 L87 R88 R89 | I81-E85 VanDerWaalsContact O-CB 3.27Å; I81-E85 WeakPolarHBondContact O-CB 3.4Å; I81-E85 PolarHBondContact O-N 2.62Å; S82-E85 PolarHBondContact O-N 2.74Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-E85 PolarHBondContact O-N 3.06Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 2.86Å; E85-R88 PolarHBondContact O-N 3.15Å; E85-R89 VanDerWaalsContact CD-CZ 3.41Å; E85-R89 PolarHBondContact O-N 3.5Å; E85-R89 IonicContact OE1-CZ 3.4Å; E85-R89 IonicContact OE1-NH1 3.32Å; E85-R89 PolarHBondContact OE1-NH1 2.92Å; E85-R89 IonicContact OE1-NH2 2.69Å; E85-R89 IonicContact OE2-CZ 2.73Å; E85-R89 IonicContact OE2-NH1 3.61Å; E85-R89 PolarHBondContact OE2-NH1 3.21Å; E85-R89 IonicContact OE2-NH2 3.52Å; E85-R89 PolarHBondContact OE2-NH2 2.77Å |
| 86 | S | 98.2 | Very high | 98.1 | Very high | 30 Ų | 30 | 104.6 Ų | 104.6 | 21% | 0.21 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -64 | -34.5 | 174.5 | 89 | 0 | 0 | 0 | 0 | 112.6 | S82 H83 K90 | S82-S86 WeakPolarHBondContact O-CB 3.36Å; S82-S86 PolarHBondContact O-N 3.32Å; H83-S86 PolarHBondContact O-N 3.4Å; H83-S86 PolarHBondContact O-OG 3.43Å; S86-K90 WeakPolarHBondContact O-CD 3.49Å; S86-K90 VanDerWaalsContact O-CG 3.25Å; S86-K90 WeakPolarHBondContact O-CG 3.16Å; S86-K90 PolarHBondContact O-N 2.89Å; S86-K90 VanDerWaalsContact O-N 3.12Å |
| 87 | L | 98.3 | Very high | 98.1 | Very high | 85 Ų | 85 | 106.5 Ų | 106.5 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 176.3 | -176.2 | 64.8 | 0 | 0 | 0 | 110.8 | H83 I84 E85 K90 Q91 | H83-L87 PolarHBondContact O-N 2.86Å; I84-L87 PolarHBondContact O-N 3.04Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 2.86Å; L87-K90 PolarHBondContact O-N 3.42Å; L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 2.92Å |
| 88 | R | 98.2 | Very high | 98.1 | Very high | 169 Ų | 169 | 106.8 Ų | 106.8 | 64% | 0.638 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 174.7 | -72.7 | 175.9 | -177.3 | 150 | 0.8 | 112.2 | I84 E85 Q91 L92 | I84-R88 WeakPolarHBondContact O-CG 3.49Å; I84-R88 PolarHBondContact O-N 3.5Å; E85-R88 PolarHBondContact O-N 3.15Å; R88-Q91 PolarHBondContact O-N 3.41Å; R88-L92 WeakPolarHBondContact O-CB 3.38Å; R88-L92 PolarHBondContact O-N 2.89Å |
| 89 | R | 98.3 | Very high | 98.1 | Very high | 120 Ų | 120 | 108.3 Ų | 108.3 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.9 | -54.5 | 173.1 | -83.9 | -169.6 | -82.1 | -96.5 | -4.5 | 111.2 | E85 Q91 L92 D93 | E85-R89 VanDerWaalsContact CD-CZ 3.41Å; E85-R89 PolarHBondContact O-N 3.5Å; E85-R89 IonicContact OE1-CZ 3.4Å; E85-R89 IonicContact OE1-NH1 3.32Å; E85-R89 PolarHBondContact OE1-NH1 2.92Å; E85-R89 IonicContact OE1-NH2 2.69Å; E85-R89 IonicContact OE2-CZ 2.73Å; E85-R89 IonicContact OE2-NH1 3.61Å; E85-R89 PolarHBondContact OE2-NH1 3.21Å; E85-R89 IonicContact OE2-NH2 3.52Å; E85-R89 PolarHBondContact OE2-NH2 2.77Å; R89-Q91 VanDerWaalsContact C-N 3.29Å; R89-Q91 PolarHBondContact O-N 3.47Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.17Å; R89-D93 PolarHBondContact O-N 2.89Å; R89-D93 VanDerWaalsContact O-OD2 3.13Å |
| 90 | K | 98.1 | Very high | 98.1 | Very high | 127 Ų | 127 | 104 Ų | 104 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.3 | -40.2 | 177.7 | -70.4 | 162.3 | -173.7 | 160.9 | 0 | 112.8 | S86 L87 D93 T94 | S86-K90 WeakPolarHBondContact O-CD 3.49Å; S86-K90 VanDerWaalsContact O-CG 3.25Å; S86-K90 WeakPolarHBondContact O-CG 3.16Å; S86-K90 PolarHBondContact O-N 2.89Å; S86-K90 VanDerWaalsContact O-N 3.12Å; L87-K90 PolarHBondContact O-N 3.42Å; K90-D93 PolarHBondContact O-N 3.47Å; K90-T94 WeakPolarHBondContact O-CB 3.24Å; K90-T94 PolarHBondContact O-N 3.26Å; K90-T94 PolarHBondContact O-OG1 2.92Å |
| 91 | Q | 97.6 | Very high | 98.1 | Very high | 118 Ų | 118 | 104.5 Ų | 104.5 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 175.6 | -75.3 | 175.7 | -21.3 | 0 | 0 | 112.4 | L87 R88 R89 T94 Y95 | L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 2.92Å; R88-Q91 PolarHBondContact O-N 3.41Å; R89-Q91 VanDerWaalsContact C-N 3.29Å; R89-Q91 PolarHBondContact O-N 3.47Å; Q91-T94 PolarHBondContact O-N 3.31Å; Q91-Y95 WeakPolarHBondContact O-CB 3.33Å; Q91-Y95 PolarHBondContact O-N 2.88Å |
| 92 | L | 98 | Very high | 98.1 | Very high | 116 Ų | 116 | 104.1 Ų | 104.1 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 175.9 | -175.8 | 64.1 | 0 | 0 | 0 | 111.6 | R88 R89 Y95 S96 | R88-L92 WeakPolarHBondContact O-CB 3.38Å; R88-L92 PolarHBondContact O-N 2.89Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.17Å; L92-Y95 PolarHBondContact O-N 3.28Å; L92-S96 VanDerWaalsContact O-CB 3.28Å; L92-S96 WeakPolarHBondContact O-CB 3.32Å; L92-S96 PolarHBondContact O-N 3.24Å |
| 93 | D | 97.6 | Very high | 98.1 | Very high | 102 Ų | 102 | 106.9 Ų | 106.9 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.1 | -62 | -36.3 | 0 | 0 | 0 | 111 | R89 K90 S96 Q97 | R89-D93 PolarHBondContact O-N 2.89Å; R89-D93 VanDerWaalsContact O-OD2 3.13Å; K90-D93 PolarHBondContact O-N 3.47Å; D93-S96 PolarHBondContact O-N 3.15Å; D93-Q97 WeakPolarHBondContact O-CB 3.46Å; D93-Q97 PolarHBondContact O-N 3.42Å |
| 94 | T | 97.9 | Very high | 98.1 | Very high | 67 Ų | 67 | 107.6 Ų | 107.6 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | K90 Q91 S96 Q97 E98 | K90-T94 WeakPolarHBondContact O-CB 3.24Å; K90-T94 PolarHBondContact O-N 3.26Å; K90-T94 PolarHBondContact O-OG1 2.92Å; Q91-T94 PolarHBondContact O-N 3.31Å; T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.87Å; T94-Q97 PolarHBondContact O-N 2.92Å; T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 WeakPolarHBondContact O-CB 3.22Å; T94-E98 WeakPolarHBondContact O-CG 3.43Å; T94-E98 PolarHBondContact O-N 3.12Å |
| 95 | Y | 97.9 | Very high | 98.1 | Very high | 146 Ų | 146 | 108 Ų | 108 | 57% | 0.573 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -39.1 | 178.2 | 176 | -101.5 | 0 | 0 | 0 | 112.3 | Q91 L92 E98 K99 | Q91-Y95 WeakPolarHBondContact O-CB 3.33Å; Q91-Y95 PolarHBondContact O-N 2.88Å; L92-Y95 PolarHBondContact O-N 3.28Å; Y95-E98 PolarHBondContact O-N 2.93Å; Y95-K99 VanDerWaalsContact O-CB 3.25Å; Y95-K99 WeakPolarHBondContact O-CB 3.37Å; Y95-K99 PolarHBondContact O-N 3.36Å |
| 96 | S | 97.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 108.3 Ų | 108.3 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.5 | -170.3 | 0 | 0 | 0 | 0 | 111.6 | L92 D93 T94 K99 A100 | L92-S96 VanDerWaalsContact O-CB 3.28Å; L92-S96 WeakPolarHBondContact O-CB 3.32Å; L92-S96 PolarHBondContact O-N 3.24Å; D93-S96 PolarHBondContact O-N 3.15Å; T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.87Å; S96-K99 PolarHBondContact O-N 2.86Å; S96-A100 WeakPolarHBondContact O-CB 3.2Å; S96-A100 PolarHBondContact O-N 3.34Å |
| 97 | Q | 98.2 | Very high | 98.1 | Very high | 144 Ų | 144 | 109.7 Ų | 109.7 | 67% | 0.673 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 175.9 | -170.8 | -178.3 | 27.1 | 0 | 0 | 112.3 | D93 T94 A100 K101 | D93-Q97 WeakPolarHBondContact O-CB 3.46Å; D93-Q97 PolarHBondContact O-N 3.42Å; T94-Q97 PolarHBondContact O-N 2.92Å; Q97-A100 PolarHBondContact O-N 2.86Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 2.81Å |
| 98 | E | 97.9 | Very high | 98.1 | Very high | 122 Ų | 122 | 108.6 Ų | 108.6 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -42.2 | 176.5 | -74.4 | -174.9 | 162.5 | 0 | 0 | 111.8 | T94 Y95 K101 L102 | T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 WeakPolarHBondContact O-CB 3.22Å; T94-E98 WeakPolarHBondContact O-CG 3.43Å; T94-E98 PolarHBondContact O-N 3.12Å; Y95-E98 PolarHBondContact O-N 2.93Å; E98-K101 PolarHBondContact O-N 2.83Å; E98-L102 VanDerWaalsContact O-CB 3.29Å; E98-L102 WeakPolarHBondContact O-CB 3.34Å; E98-L102 PolarHBondContact O-N 3.3Å |
| 99 | K | 98.3 | Very high | 98 | Very high | 121 Ų | 121 | 103.4 Ų | 103.4 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 173.4 | -179.1 | -179.4 | 176 | -177.3 | 0 | 111.5 | Y95 S96 L102 Q103 | Y95-K99 VanDerWaalsContact O-CB 3.25Å; Y95-K99 WeakPolarHBondContact O-CB 3.37Å; Y95-K99 PolarHBondContact O-N 3.36Å; S96-K99 PolarHBondContact O-N 2.86Å; K99-L102 PolarHBondContact O-N 3.4Å; K99-Q103 WeakPolarHBondContact O-CB 3.44Å; K99-Q103 PolarHBondContact O-N 3.43Å |
| 100 | A | 98.1 | Very high | 98 | Very high | 56 Ų | 56 | 100.7 Ų | 100.7 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | S96 Q97 Q103 Q104 | S96-A100 WeakPolarHBondContact O-CB 3.2Å; S96-A100 PolarHBondContact O-N 3.34Å; Q97-A100 PolarHBondContact O-N 2.86Å; A100-Q103 PolarHBondContact O-N 3.34Å; A100-Q104 WeakPolarHBondContact O-CB 3.32Å; A100-Q104 PolarHBondContact O-N 2.92Å |
| 101 | K | 98.3 | Very high | 98 | Very high | 136 Ų | 136 | 101.7 Ų | 101.7 | 59% | 0.591 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 175.4 | -176.5 | -179.1 | 178.3 | -175.5 | 0 | 112.3 | Q97 E98 Q104 N105 | Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 2.81Å; E98-K101 PolarHBondContact O-N 2.83Å; K101-Q104 PolarHBondContact O-N 3.4Å; K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 3.4Å |
| 102 | L | 98.3 | Very high | 98 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 175.7 | 179.9 | 59.6 | 0 | 0 | 0 | 111.2 | E98 K99 N105 I106 | E98-L102 VanDerWaalsContact O-CB 3.29Å; E98-L102 WeakPolarHBondContact O-CB 3.34Å; E98-L102 PolarHBondContact O-N 3.3Å; K99-L102 PolarHBondContact O-N 3.4Å; L102-N105 WeakPolarHBondContact O-CB 3.43Å; L102-N105 PolarHBondContact O-N 2.9Å; L102-I106 HydrophobicContact CD1-CD1 4.19Å; L102-I106 HydrophobicContact CD1-CG1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.49Å |
| 103 | Q | 98 | Very high | 98 | Very high | 121 Ų | 121 | 98.7 Ų | 98.7 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 174.6 | -176.2 | 174.6 | -11.3 | 0 | 0 | 111.4 | K99 A100 N105 I106 S107 | K99-Q103 WeakPolarHBondContact O-CB 3.44Å; K99-Q103 PolarHBondContact O-N 3.43Å; A100-Q103 PolarHBondContact O-N 3.34Å; Q103-N105 PolarHBondContact O-N 2.84Å; Q103-I106 PolarHBondContact O-N 3.3Å; Q103-S107 PolarHBondContact O-N 2.85Å; Q103-S107 PolarHBondContact O-OG 3.2Å |
| 104 | Q | 98 | Very high | 98.1 | Very high | 138 Ų | 138 | 99.6 Ų | 99.6 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -45.1 | 173.5 | -176.3 | -177.3 | 4.9 | 0 | 0 | 111.8 | A100 K101 S107 S108 | A100-Q104 WeakPolarHBondContact O-CB 3.32Å; A100-Q104 PolarHBondContact O-N 2.92Å; K101-Q104 PolarHBondContact O-N 3.4Å; Q104-S107 PolarHBondContact O-N 3.35Å; Q104-S108 WeakPolarHBondContact O-CB 3.28Å; Q104-S108 PolarHBondContact O-N 2.85Å; Q104-S108 PolarHBondContact O-OG 2.99Å |
| 105 | N | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 102.1 Ų | 102.1 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 176.1 | -74.6 | -13.4 | 0 | 0 | 0 | 111.3 | K101 L102 Q103 S108 S109 | K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 3.4Å; L102-N105 WeakPolarHBondContact O-CB 3.43Å; L102-N105 PolarHBondContact O-N 2.9Å; Q103-N105 PolarHBondContact O-N 2.84Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-S108 PolarHBondContact O-OG 2.69Å; N105-S109 WeakPolarHBondContact O-CB 3.41Å; N105-S109 PolarHBondContact O-N 3.32Å |
| 106 | I | 98.1 | Very high | 98.1 | Very high | 95 Ų | 95 | 100.2 Ų | 100.2 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.5 | -52 | 176 | -69.5 | 164.1 | 0 | 0 | 0 | 110.3 | L102 Q103 S108 S109 T110 | L102-I106 HydrophobicContact CD1-CD1 4.19Å; L102-I106 HydrophobicContact CD1-CG1 4.39Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.49Å; Q103-I106 PolarHBondContact O-N 3.3Å; I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.48Å; I106-S109 WeakPolarHBondContact O-CB 3.34Å; I106-S109 PolarHBondContact O-N 2.71Å; I106-S109 VanDerWaalsContact O-N 3.12Å; I106-T110 PolarHBondContact O-N 2.86Å; I106-T110 PolarHBondContact O-OG1 3.44Å |
| 107 | S | 98.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 103.3 Ų | 103.3 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -32.6 | 179 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | Q103 Q104 K111 | Q103-S107 PolarHBondContact O-N 2.85Å; Q103-S107 PolarHBondContact O-OG 3.2Å; Q104-S107 PolarHBondContact O-N 3.35Å; S107-K111 WeakPolarHBondContact O-CG 3.42Å; S107-K111 PolarHBondContact O-N 2.9Å |
| 108 | S | 98.1 | Very high | 98.1 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -42.2 | 173.3 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | Q104 N105 I106 K111 T112 | Q104-S108 WeakPolarHBondContact O-CB 3.28Å; Q104-S108 PolarHBondContact O-N 2.85Å; Q104-S108 PolarHBondContact O-OG 2.99Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-S108 PolarHBondContact O-OG 2.69Å; I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.48Å; S108-K111 PolarHBondContact O-N 3.02Å; S108-T112 PolarHBondContact O-N 2.93Å |
| 109 | S | 97.8 | Very high | 98.1 | Very high | 59 Ų | 59 | 96.9 Ų | 96.9 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 176.1 | -171 | 0 | 0 | 0 | 0 | 111.2 | N105 I106 K111 T112 I113 | N105-S109 WeakPolarHBondContact O-CB 3.41Å; N105-S109 PolarHBondContact O-N 3.32Å; I106-S109 WeakPolarHBondContact O-CB 3.34Å; I106-S109 PolarHBondContact O-N 2.71Å; I106-S109 VanDerWaalsContact O-N 3.12Å; S109-K111 VanDerWaalsContact C-N 3.31Å; S109-K111 PolarHBondContact O-N 2.94Å; S109-T112 PolarHBondContact O-N 3.25Å; S109-T112 PolarHBondContact O-OG1 2.93Å; S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 3.34Å |
| 110 | T | 98.2 | Very high | 98.1 | Very high | 63 Ų | 63 | 96.4 Ų | 96.4 | 39% | 0.387 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -53.4 | -46.6 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | I106 T112 I113 E114 | I106-T110 PolarHBondContact O-N 2.86Å; I106-T110 PolarHBondContact O-OG1 3.44Å; T110-T112 PolarHBondContact O-N 3.34Å; T110-I113 PolarHBondContact O-N 2.82Å; T110-I113 VanDerWaalsContact O-N 3.15Å; T110-E114 HydrophobicContact CG2-CG 4.48Å; T110-E114 WeakPolarHBondContact O-CG 3.29Å; T110-E114 PolarHBondContact O-N 3.2Å |
| 111 | K | 98 | Very high | 98.1 | Very high | 149 Ų | 149 | 97.5 Ų | 97.5 | 65% | 0.648 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -42.2 | 176.2 | -73.6 | 175.7 | -179 | -174.9 | 0 | 112.8 | S107 S108 S109 I113 E114 E115 | S107-K111 WeakPolarHBondContact O-CG 3.42Å; S107-K111 PolarHBondContact O-N 2.9Å; S108-K111 PolarHBondContact O-N 3.02Å; S109-K111 VanDerWaalsContact C-N 3.31Å; S109-K111 PolarHBondContact O-N 2.94Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.97Å; K111-E114 PolarHBondContact O-N 3.45Å; K111-E115 WeakPolarHBondContact O-CB 3.25Å; K111-E115 PolarHBondContact O-N 3.28Å |
| 112 | T | 97.8 | Very high | 98.1 | Very high | 72 Ų | 72 | 95.8 Ų | 95.8 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -33.2 | 175.6 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | S108 S109 T110 L116 | S108-T112 PolarHBondContact O-N 2.93Å; S109-T112 PolarHBondContact O-N 3.25Å; S109-T112 PolarHBondContact O-OG1 2.93Å; T110-T112 PolarHBondContact O-N 3.34Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 WeakPolarHBondContact O-CD1 3.45Å; T112-L116 WeakPolarHBondContact O-CG 3.25Å; T112-L116 PolarHBondContact O-N 3.32Å |
| 113 | I | 98.1 | Very high | 98.1 | Very high | 99 Ų | 99 | 96.2 Ų | 96.2 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 175.4 | -67.7 | 163.3 | 0 | 0 | 0 | 110.6 | S109 T110 K111 L116 K117 | S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 3.34Å; T110-I113 PolarHBondContact O-N 2.82Å; T110-I113 VanDerWaalsContact O-N 3.15Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I113 PolarHBondContact O-N 2.97Å; I113-L116 PolarHBondContact O-N 2.83Å; I113-K117 WeakPolarHBondContact O-CB 3.28Å; I113-K117 PolarHBondContact O-N 3.42Å |
| 114 | E | 98.2 | Very high | 98.1 | Very high | 120 Ų | 120 | 95.7 Ų | 95.7 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 173.4 | -73.8 | 169.5 | 175.9 | 0 | 0 | 111.9 | T110 K111 K117 G118 | T110-E114 HydrophobicContact CG2-CG 4.48Å; T110-E114 WeakPolarHBondContact O-CG 3.29Å; T110-E114 PolarHBondContact O-N 3.2Å; K111-E114 PolarHBondContact O-N 3.45Å; E114-K117 PolarHBondContact O-N 3.43Å; E114-G118 PolarHBondContact O-N 3.29Å |
| 115 | E | 98.3 | Very high | 98.1 | Very high | 121 Ų | 121 | 93.7 Ų | 93.7 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -49.1 | 174.8 | -169.7 | -174.8 | 166.2 | 0 | 0 | 111.4 | K111 K117 G118 Q119 | K111-E115 WeakPolarHBondContact O-CB 3.25Å; K111-E115 PolarHBondContact O-N 3.28Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.85Å; E115-G118 CarbonylContact O-C 3.59Å; E115-G118 WeakPolarHBondContact O-CA 3.45Å; E115-G118 PolarHBondContact O-N 3.36Å; E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 3.49Å; E115-Q119 PolarHBondContact OE1-NE2 2.91Å; E115-Q119 VanDerWaalsContact OE1-NE2 3.16Å |
| 116 | L | 98.3 | Very high | 98.1 | Very high | 105 Ų | 105 | 92.9 Ų | 92.9 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 176.7 | -75.3 | 166.4 | 0 | 0 | 0 | 112.2 | T112 I113 G118 Q119 L120 | T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 WeakPolarHBondContact O-CD1 3.45Å; T112-L116 WeakPolarHBondContact O-CG 3.25Å; T112-L116 PolarHBondContact O-N 3.32Å; I113-L116 PolarHBondContact O-N 2.83Å; L116-G118 VanDerWaalsContact C-N 3.34Å; L116-Q119 PolarHBondContact O-N 3.25Å; L116-L120 WeakPolarHBondContact O-CB 3.36Å; L116-L120 PolarHBondContact O-N 2.79Å |
| 117 | K | 98.2 | Very high | 98 | Very high | 138 Ų | 138 | 93.5 Ų | 93.5 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -38.9 | 172.8 | -176.6 | -179.7 | -180 | -177.4 | 0 | 111.4 | I113 E114 E115 N121 | I113-K117 WeakPolarHBondContact O-CB 3.28Å; I113-K117 PolarHBondContact O-N 3.42Å; E114-K117 PolarHBondContact O-N 3.43Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.85Å; K117-N121 WeakPolarHBondContact O-CB 3.27Å; K117-N121 VanDerWaalsContact O-CG 3.23Å; K117-N121 PolarHBondContact O-N 2.83Å; K117-N121 PolarHBondContact O-ND2 3.39Å |
| 118 | G | 98.2 | Very high | 98 | Very high | 38 Ų | 38 | 91.8 Ų | 91.8 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E114 E115 L116 N121 Q122 | E114-G118 PolarHBondContact O-N 3.29Å; E115-G118 CarbonylContact O-C 3.59Å; E115-G118 WeakPolarHBondContact O-CA 3.45Å; E115-G118 PolarHBondContact O-N 3.36Å; L116-G118 VanDerWaalsContact C-N 3.34Å; G118-N121 PolarHBondContact O-N 2.96Å; G118-Q122 PolarHBondContact O-N 2.93Å |
| 119 | Q | 98.3 | Very high | 98 | Very high | 93 Ų | 93 | 94.2 Ų | 94.2 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.7 | -66.4 | 177.7 | 16.2 | 0 | 0 | 111.9 | E115 L116 Q122 M123 | E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 3.49Å; E115-Q119 PolarHBondContact OE1-NE2 2.91Å; E115-Q119 VanDerWaalsContact OE1-NE2 3.16Å; L116-Q119 PolarHBondContact O-N 3.25Å; Q119-Q122 PolarHBondContact O-N 3.21Å; Q119-M123 WeakPolarHBondContact O-CG 3.43Å; Q119-M123 PolarHBondContact O-N 2.94Å |
| 120 | L | 98.2 | Very high | 98 | Very high | 111 Ų | 111 | 96.6 Ų | 96.6 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -47.9 | 174.7 | -170.7 | 95.5 | 0 | 0 | 0 | 111.5 | L116 Q122 M123 N124 | L116-L120 WeakPolarHBondContact O-CB 3.36Å; L116-L120 PolarHBondContact O-N 2.79Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 3.33Å; L120-M123 PolarHBondContact O-N 2.87Å; L120-N124 WeakPolarHBondContact O-CB 3.33Å; L120-N124 PolarHBondContact O-N 2.87Å |
| 121 | N | 98 | Very high | 98 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 43% | 0.428 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 177.4 | -74.8 | -24.3 | 0 | 0 | 0 | 112 | K117 G118 N124 N125 | K117-N121 WeakPolarHBondContact O-CB 3.27Å; K117-N121 VanDerWaalsContact O-CG 3.23Å; K117-N121 PolarHBondContact O-N 2.83Å; K117-N121 PolarHBondContact O-ND2 3.39Å; G118-N121 PolarHBondContact O-N 2.96Å; N121-N124 PolarHBondContact O-N 2.88Å; N121-N125 WeakPolarHBondContact O-CB 3.35Å; N121-N125 PolarHBondContact O-N 3.35Å; N121-N125 PolarHBondContact O-ND2 3Å |
| 122 | Q | 98.2 | Very high | 98 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 174.7 | -178.6 | 59.9 | 36.4 | 0 | 0 | 111.4 | G118 Q119 L120 N124 N125 D126 | G118-Q122 PolarHBondContact O-N 2.93Å; Q119-Q122 PolarHBondContact O-N 3.21Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 3.33Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; Q122-N124 PolarHBondContact O-N 3.43Å; Q122-N125 WeakPolarHBondContact O-CB 3.17Å; Q122-N125 PolarHBondContact O-N 2.92Å; Q122-D126 PolarHBondContact NE2-OD1 2.88Å; Q122-D126 PolarHBondContact NE2-OD2 3.45Å; Q122-D126 PolarHBondContact O-N 3.41Å |
| 123 | M | 97.7 | Very high | 98 | Very high | 114 Ų | 114 | 102.3 Ų | 102.3 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -41.6 | 176.6 | -71.7 | -170.8 | -71.8 | 0 | 0 | 112.2 | Q119 L120 D126 L127 | Q119-M123 WeakPolarHBondContact O-CG 3.43Å; Q119-M123 PolarHBondContact O-N 2.94Å; L120-M123 PolarHBondContact O-N 2.87Å; M123-D126 PolarHBondContact O-N 2.92Å; M123-L127 WeakPolarHBondContact O-CB 3.41Å; M123-L127 WeakPolarHBondContact O-CG 3.37Å; M123-L127 PolarHBondContact O-N 3.06Å |
| 124 | N | 97.8 | Very high | 98 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 176.7 | -172.4 | 47.8 | 0 | 0 | 0 | 112 | L120 N121 Q122 G128 | L120-N124 WeakPolarHBondContact O-CB 3.33Å; L120-N124 PolarHBondContact O-N 2.87Å; N121-N124 PolarHBondContact O-N 2.88Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; Q122-N124 PolarHBondContact O-N 3.43Å; N124-G128 PolarHBondContact O-N 2.91Å |
| 125 | N | 98 | Very high | 97.9 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 173.6 | -81.2 | -53 | 0 | 0 | 0 | 112.3 | N121 Q122 G128 K129 | N121-N125 WeakPolarHBondContact O-CB 3.35Å; N121-N125 PolarHBondContact O-N 3.35Å; N121-N125 PolarHBondContact O-ND2 3Å; Q122-N125 WeakPolarHBondContact O-CB 3.17Å; Q122-N125 PolarHBondContact O-N 2.92Å; N125-G128 PolarHBondContact O-N 3.3Å; N125-K129 WeakPolarHBondContact O-CG 3.49Å; N125-K129 PolarHBondContact O-N 3.45Å |
| 126 | D | 98 | Very high | 97.9 | Very high | 66 Ų | 66 | 106.3 Ų | 106.3 | 35% | 0.353 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.9 | -36.2 | -179.8 | -70 | -29.2 | 0 | 0 | 0 | 112.6 | Q122 M123 G128 K129 L130 | Q122-D126 PolarHBondContact NE2-OD1 2.88Å; Q122-D126 PolarHBondContact NE2-OD2 3.45Å; Q122-D126 PolarHBondContact O-N 3.41Å; M123-D126 PolarHBondContact O-N 2.92Å; D126-G128 VanDerWaalsContact C-N 3.32Å; D126-G128 PolarHBondContact O-N 3.38Å; D126-K129 WeakPolarHBondContact O-CB 3.27Å; D126-K129 PolarHBondContact O-N 3.32Å; D126-K129 WeakPolarHBondContact OD1-CD 3.38Å; D126-K129 WeakPolarHBondContact OD1-CE 3.34Å; D126-K129 IonicContact OD1-NZ 2.66Å; D126-K129 PolarHBondContact OD1-NZ 3.39Å; D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 PolarHBondContact O-N 3.03Å |
| 127 | L | 97.6 | Very high | 97.8 | Very high | 108 Ų | 108 | 104.8 Ų | 104.8 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 166.3 | -73.3 | 170.7 | 0 | 0 | 0 | 111.2 | M123 K129 L130 Q131 | M123-L127 WeakPolarHBondContact O-CB 3.41Å; M123-L127 WeakPolarHBondContact O-CG 3.37Å; M123-L127 PolarHBondContact O-N 3.06Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 2.92Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-Q131 WeakPolarHBondContact O-CB 3.41Å; L127-Q131 PolarHBondContact O-N 3.45Å |
| 128 | G | 97.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 104.6 Ų | 104.6 | 25% | 0.247 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.8 | -27.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N124 N125 D126 K132 | N124-G128 PolarHBondContact O-N 2.91Å; N125-G128 PolarHBondContact O-N 3.3Å; D126-G128 VanDerWaalsContact C-N 3.32Å; D126-G128 PolarHBondContact O-N 3.38Å; G128-K132 WeakPolarHBondContact O-CD 3.33Å; G128-K132 VanDerWaalsContact O-CG 3.3Å; G128-K132 WeakPolarHBondContact O-CG 3.17Å |
| 129 | K | 98.1 | Very high | 97.6 | Very high | 114 Ų | 114 | 105 Ų | 105 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.6 | -52 | 168.6 | -67 | 165.7 | -161.3 | 165.2 | 0 | 110.4 | N125 D126 L127 Q131 K132 E133 | N125-K129 WeakPolarHBondContact O-CG 3.49Å; N125-K129 PolarHBondContact O-N 3.45Å; D126-K129 WeakPolarHBondContact O-CB 3.27Å; D126-K129 PolarHBondContact O-N 3.32Å; D126-K129 WeakPolarHBondContact OD1-CD 3.38Å; D126-K129 WeakPolarHBondContact OD1-CE 3.34Å; D126-K129 IonicContact OD1-NZ 2.66Å; D126-K129 PolarHBondContact OD1-NZ 3.39Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 2.92Å; K129-Q131 VanDerWaalsContact C-N 3.28Å; K129-Q131 PolarHBondContact O-N 3.46Å; K129-K132 WeakPolarHBondContact O-CB 3.12Å; K129-K132 PolarHBondContact O-N 2.91Å; K129-E133 PolarHBondContact O-N 3.34Å |
| 130 | L | 97.8 | Very high | 97.5 | Very high | 108 Ų | 108 | 104.8 Ų | 104.8 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.6 | -36 | -177.5 | -172.4 | 64.2 | 0 | 0 | 0 | 112.2 | D126 L127 E133 L134 | D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 PolarHBondContact O-N 3.03Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-E133 PolarHBondContact O-N 3.33Å; L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.42Å; L130-L134 PolarHBondContact O-N 3.35Å |
| 131 | Q | 97.8 | Very high | 97.4 | Very high | 138 Ų | 138 | 103.9 Ų | 103.9 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 173.2 | -175.8 | -179.7 | -2.5 | 0 | 0 | 112.2 | L127 K129 L134 Q135 | L127-Q131 WeakPolarHBondContact O-CB 3.41Å; L127-Q131 PolarHBondContact O-N 3.45Å; K129-Q131 VanDerWaalsContact C-N 3.28Å; K129-Q131 PolarHBondContact O-N 3.46Å; Q131-L134 PolarHBondContact O-N 2.79Å; Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 PolarHBondContact O-N 3.26Å |
| 132 | K | 97.7 | Very high | 97.3 | Very high | 150 Ų | 150 | 103 Ų | 103 | 65% | 0.652 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.1 | -38.2 | 176.2 | -68.9 | 167.7 | -173.2 | 173.4 | 0 | 111.4 | G128 K129 R136 | G128-K132 WeakPolarHBondContact O-CD 3.33Å; G128-K132 VanDerWaalsContact O-CG 3.3Å; G128-K132 WeakPolarHBondContact O-CG 3.17Å; K129-K132 WeakPolarHBondContact O-CB 3.12Å; K129-K132 PolarHBondContact O-N 2.91Å; K132-R136 VanDerWaalsContact O-CB 3.32Å; K132-R136 WeakPolarHBondContact O-CB 3.23Å; K132-R136 PolarHBondContact O-N 3.02Å |
| 133 | E | 97.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 174.1 | -67.9 | -170.6 | 157.5 | 0 | 0 | 111.9 | K129 L130 Q135 R136 C137 | K129-E133 PolarHBondContact O-N 3.34Å; L130-E133 PolarHBondContact O-N 3.33Å; E133-Q135 PolarHBondContact O-N 2.89Å; E133-R136 WeakPolarHBondContact O-CB 3.33Å; E133-R136 PolarHBondContact O-N 2.65Å; E133-C137 WeakPolarHBondContact O-CB 3.48Å; E133-C137 PolarHBondContact O-N 3.4Å; E133-C137 PolarHBondContact O-SG 2.98Å |
| 134 | L | 97.4 | Very high | 97.2 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60 | -46 | 174.3 | -178.4 | 63.1 | 0 | 0 | 0 | 111.5 | L130 Q131 R136 C137 Q138 | L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.42Å; L130-L134 PolarHBondContact O-N 3.35Å; Q131-L134 PolarHBondContact O-N 2.79Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.28Å; L134-C137 PolarHBondContact O-N 3.43Å; L134-Q138 WeakPolarHBondContact O-CB 3.46Å; L134-Q138 PolarHBondContact O-N 2.92Å |
| 135 | Q | 97.6 | Very high | 97.1 | Very high | 130 Ų | 130 | 100.8 Ų | 100.8 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.7 | -39.3 | 176 | -168.5 | -178.4 | 24.6 | 0 | 0 | 111.8 | Q131 E133 Q138 A139 | Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 PolarHBondContact O-N 3.26Å; E133-Q135 PolarHBondContact O-N 2.89Å; Q135-Q138 PolarHBondContact O-N 3.35Å; Q135-A139 WeakPolarHBondContact O-CB 3.44Å; Q135-A139 PolarHBondContact O-N 2.95Å |
| 136 | R | 97.2 | Very high | 97 | Very high | 175 Ų | 175 | 100.9 Ų | 100.9 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 174 | -175.3 | -177.7 | -177.8 | -166.4 | 1.1 | 111.7 | K132 E133 L134 A139 N140 | K132-R136 VanDerWaalsContact O-CB 3.32Å; K132-R136 WeakPolarHBondContact O-CB 3.23Å; K132-R136 PolarHBondContact O-N 3.02Å; E133-R136 WeakPolarHBondContact O-CB 3.33Å; E133-R136 PolarHBondContact O-N 2.65Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 3.28Å; R136-A139 PolarHBondContact O-N 3.02Å; R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 PolarHBondContact O-N 3.46Å; R136-N140 PolarHBondContact O-ND2 3.5Å |
| 137 | C | 95.6 | Very high | 97 | Very high | 73 Ų | 73 | 104.1 Ų | 104.1 | 49% | 0.493 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 174.1 | -76.6 | 0 | 0 | 0 | 0 | 112 | E133 L134 N140 T141 | E133-C137 WeakPolarHBondContact O-CB 3.48Å; E133-C137 PolarHBondContact O-N 3.4Å; E133-C137 PolarHBondContact O-SG 2.98Å; L134-C137 PolarHBondContact O-N 3.43Å; C137-N140 PolarHBondContact O-N 2.85Å; C137-T141 VanDerWaalsContact O-CB 3.31Å; C137-T141 WeakPolarHBondContact O-CB 3.49Å; C137-T141 PolarHBondContact O-N 3.48Å; C137-T141 PolarHBondContact O-OG1 3.26Å |
| 138 | Q | 96.7 | Very high | 96.9 | Very high | 135 Ų | 135 | 103.7 Ų | 103.7 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 174 | -171.7 | -175.4 | 12 | 0 | 0 | 111.7 | L134 Q135 T141 S142 | L134-Q138 WeakPolarHBondContact O-CB 3.46Å; L134-Q138 PolarHBondContact O-N 2.92Å; Q135-Q138 PolarHBondContact O-N 3.35Å; Q138-T141 PolarHBondContact O-N 2.89Å; Q138-S142 WeakPolarHBondContact O-CB 3.37Å; Q138-S142 PolarHBondContact O-N 3.07Å |
| 139 | A | 96.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 106.5 Ų | 106.5 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q135 R136 T141 S142 I143 | Q135-A139 WeakPolarHBondContact O-CB 3.44Å; Q135-A139 PolarHBondContact O-N 2.95Å; R136-A139 PolarHBondContact O-N 3.02Å; A139-T141 VanDerWaalsContact C-N 3.29Å; A139-T141 PolarHBondContact O-N 2.97Å; A139-S142 PolarHBondContact O-N 2.99Å; A139-I143 VanDerWaalsContact O-CG1 3.29Å; A139-I143 WeakPolarHBondContact O-CG1 3.45Å; A139-I143 PolarHBondContact O-N 3.01Å |
| 140 | N | 96.8 | Very high | 96.8 | Very high | 88 Ų | 88 | 105.7 Ų | 105.7 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 174.3 | -72.3 | -17.1 | 0 | 0 | 0 | 111.9 | R136 C137 I143 L144 | R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 PolarHBondContact O-N 3.46Å; R136-N140 PolarHBondContact O-ND2 3.5Å; C137-N140 PolarHBondContact O-N 2.85Å; N140-I143 PolarHBondContact O-N 3.47Å; N140-L144 WeakPolarHBondContact O-CB 3.34Å; N140-L144 PolarHBondContact O-N 3.37Å |
| 141 | T | 95.9 | Very high | 96.7 | Very high | 91 Ų | 91 | 105.2 Ų | 105.2 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.9 | -41.1 | 178.2 | -57 | 0 | 0 | 0 | 0 | 111.3 | C137 Q138 A139 L144 S145 | C137-T141 VanDerWaalsContact O-CB 3.31Å; C137-T141 WeakPolarHBondContact O-CB 3.49Å; C137-T141 PolarHBondContact O-N 3.48Å; C137-T141 PolarHBondContact O-OG1 3.26Å; Q138-T141 PolarHBondContact O-N 2.89Å; A139-T141 VanDerWaalsContact C-N 3.29Å; A139-T141 PolarHBondContact O-N 2.97Å; T141-L144 PolarHBondContact O-N 3.01Å; T141-S145 VanDerWaalsContact O-CB 3.24Å; T141-S145 WeakPolarHBondContact O-CB 3.11Å; T141-S145 PolarHBondContact O-N 2.94Å |
| 142 | S | 95.1 | Very high | 96.7 | Very high | 62 Ų | 62 | 103.2 Ų | 103.2 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | Q138 A139 L144 S145 N146 | Q138-S142 WeakPolarHBondContact O-CB 3.37Å; Q138-S142 PolarHBondContact O-N 3.07Å; A139-S142 PolarHBondContact O-N 2.99Å; S142-L144 VanDerWaalsContact C-N 3.33Å; S142-L144 PolarHBondContact O-N 3.27Å; S142-S145 PolarHBondContact O-N 3.14Å; S142-N146 WeakPolarHBondContact O-CB 3.37Å; S142-N146 PolarHBondContact O-N 3.2Å; S142-N146 PolarHBondContact O-ND2 3.33Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å |
| 143 | I | 96.9 | Very high | 96.6 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.9 | -67.9 | 162.9 | 0 | 0 | 0 | 111.2 | A139 N140 K147 | A139-I143 VanDerWaalsContact O-CG1 3.29Å; A139-I143 WeakPolarHBondContact O-CG1 3.45Å; A139-I143 PolarHBondContact O-N 3.01Å; N140-I143 PolarHBondContact O-N 3.47Å; I143-K147 WeakPolarHBondContact O-CG 3.25Å; I143-K147 PolarHBondContact O-N 2.94Å |
| 144 | L | 96.3 | Very high | 96.5 | Very high | 121 Ų | 121 | 98.9 Ų | 98.9 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.3 | -41.7 | 178.2 | -176 | 61.3 | 0 | 0 | 0 | 112.2 | N140 T141 S142 K147 L148 | N140-L144 WeakPolarHBondContact O-CB 3.34Å; N140-L144 PolarHBondContact O-N 3.37Å; T141-L144 PolarHBondContact O-N 3.01Å; S142-L144 VanDerWaalsContact C-N 3.33Å; S142-L144 PolarHBondContact O-N 3.27Å; L144-K147 PolarHBondContact O-N 3.4Å; L144-L148 WeakPolarHBondContact O-CB 3.2Å; L144-L148 PolarHBondContact O-N 3.38Å |
| 145 | S | 95.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 96.3 Ų | 96.3 | 43% | 0.427 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | T141 S142 L148 T149 | T141-S145 VanDerWaalsContact O-CB 3.24Å; T141-S145 WeakPolarHBondContact O-CB 3.11Å; T141-S145 PolarHBondContact O-N 2.94Å; S142-S145 PolarHBondContact O-N 3.14Å; S145-L148 PolarHBondContact O-N 2.83Å; S145-T149 WeakPolarHBondContact O-CB 3.27Å; S145-T149 PolarHBondContact O-N 3.35Å; S145-T149 PolarHBondContact O-OG1 3.28Å |
| 146 | N | 96.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 96 Ų | 96 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 176 | -70.9 | -31.1 | 0 | 0 | 0 | 111.6 | S142 T149 V150 | S142-N146 WeakPolarHBondContact O-CB 3.37Å; S142-N146 PolarHBondContact O-N 3.2Å; S142-N146 PolarHBondContact O-ND2 3.33Å; S142-N146 VanDerWaalsContact O-ND2 3.1Å; N146-T149 PolarHBondContact O-N 2.86Å; N146-V150 WeakPolarHBondContact O-CG2 3.32Å; N146-V150 PolarHBondContact O-N 3.47Å |
| 147 | K | 97.3 | Very high | 96.1 | Very high | 134 Ų | 134 | 91.3 Ų | 91.3 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.6 | -51.8 | 172.4 | -79.8 | -176.2 | 174 | -172.1 | 0 | 111.8 | I143 L144 T149 V150 D151 | I143-K147 WeakPolarHBondContact O-CG 3.25Å; I143-K147 PolarHBondContact O-N 2.94Å; L144-K147 PolarHBondContact O-N 3.4Å; K147-T149 VanDerWaalsContact C-N 3.26Å; K147-T149 PolarHBondContact O-N 2.65Å; K147-V150 PolarHBondContact O-N 2.9Å; K147-V150 VanDerWaalsContact O-N 3.08Å; K147-D151 PolarHBondContact O-N 3.48Å |
| 148 | L | 96.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 92.4 Ų | 92.4 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.8 | -39.1 | 178.6 | -179.8 | 61 | 0 | 0 | 0 | 111.9 | L144 S145 D151 I152 | L144-L148 WeakPolarHBondContact O-CB 3.2Å; L144-L148 PolarHBondContact O-N 3.38Å; S145-L148 PolarHBondContact O-N 2.83Å; L148-D151 PolarHBondContact O-N 3.49Å; L148-I152 HydrophobicContact CD1-CD1 3.95Å; L148-I152 HydrophobicContact CD1-CG1 4.22Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 VanDerWaalsContact O-CB 3.32Å; L148-I152 WeakPolarHBondContact O-CB 3.36Å; L148-I152 WeakPolarHBondContact O-CD1 3.35Å; L148-I152 WeakPolarHBondContact O-CG1 3.45Å; L148-I152 PolarHBondContact O-N 3.11Å |
| 149 | T | 96.2 | Very high | 95.9 | Very high | 83 Ų | 83 | 90.1 Ų | 90.1 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | S145 N146 K147 A153 | S145-T149 WeakPolarHBondContact O-CB 3.27Å; S145-T149 PolarHBondContact O-N 3.35Å; S145-T149 PolarHBondContact O-OG1 3.28Å; N146-T149 PolarHBondContact O-N 2.86Å; K147-T149 VanDerWaalsContact C-N 3.26Å; K147-T149 PolarHBondContact O-N 2.65Å; T149-A153 WeakPolarHBondContact O-CB 3.32Å; T149-A153 PolarHBondContact O-N 2.93Å |
| 150 | V | 97.2 | Very high | 95.8 | Very high | 97 Ų | 97 | 92.3 Ų | 92.3 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -44.6 | 174.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | N146 K147 I152 A153 H154 | N146-V150 WeakPolarHBondContact O-CG2 3.32Å; N146-V150 PolarHBondContact O-N 3.47Å; K147-V150 PolarHBondContact O-N 2.9Å; K147-V150 VanDerWaalsContact O-N 3.08Å; V150-I152 PolarHBondContact O-N 3.3Å; V150-A153 PolarHBondContact O-N 3.16Å; V150-H154 WeakPolarHBondContact O-CB 3.47Å; V150-H154 PolarHBondContact O-N 2.88Å |
| 151 | D | 96.6 | Very high | 95.6 | Very high | 99 Ų | 99 | 91.2 Ų | 91.2 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 179.3 | -67.8 | -30.2 | 0 | 0 | 0 | 111.6 | K147 L148 C155 | K147-D151 PolarHBondContact O-N 3.48Å; L148-D151 PolarHBondContact O-N 3.49Å; D151-C155 VanDerWaalsContact O-CB 3.23Å; D151-C155 WeakPolarHBondContact O-CB 3.46Å; D151-C155 PolarHBondContact O-N 3.4Å |
| 152 | I | 96.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 172.3 | -73.3 | 167.4 | 0 | 0 | 0 | 110.7 | L148 V150 H154 C155 Q156 | L148-I152 HydrophobicContact CD1-CD1 3.95Å; L148-I152 HydrophobicContact CD1-CG1 4.22Å; L148-I152 HydrophobicContact CG-CD1 3.84Å; L148-I152 VanDerWaalsContact O-CB 3.32Å; L148-I152 WeakPolarHBondContact O-CB 3.36Å; L148-I152 WeakPolarHBondContact O-CD1 3.35Å; L148-I152 WeakPolarHBondContact O-CG1 3.45Å; L148-I152 PolarHBondContact O-N 3.11Å; V150-I152 PolarHBondContact O-N 3.3Å; I152-H154 VanDerWaalsContact C-N 3.35Å; I152-H154 PolarHBondContact O-N 3.48Å; I152-C155 PolarHBondContact O-N 2.92Å; I152-Q156 VanDerWaalsContact O-CB 3.3Å; I152-Q156 WeakPolarHBondContact O-CB 3.39Å; I152-Q156 PolarHBondContact O-N 3.45Å |
| 153 | A | 95.3 | Very high | 95.3 | Very high | 52 Ų | 52 | 95.3 Ų | 95.3 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T149 V150 Q156 S157 | T149-A153 WeakPolarHBondContact O-CB 3.32Å; T149-A153 PolarHBondContact O-N 2.93Å; V150-A153 PolarHBondContact O-N 3.16Å; A153-Q156 PolarHBondContact O-N 3.26Å; A153-S157 WeakPolarHBondContact O-CB 3.4Å; A153-S157 PolarHBondContact O-N 3.16Å |
| 154 | H | 95.8 | Very high | 95.1 | Very high | 123 Ų | 123 | 98 Ų | 98 | 57% | 0.569 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -49.2 | 173.1 | 174.4 | -99.2 | 0 | 0 | 0 | 111.5 | V150 I152 Q156 S157 Q158 | V150-H154 WeakPolarHBondContact O-CB 3.47Å; V150-H154 PolarHBondContact O-N 2.88Å; I152-H154 VanDerWaalsContact C-N 3.35Å; I152-H154 PolarHBondContact O-N 3.48Å; H154-Q156 PolarHBondContact O-N 2.86Å; H154-S157 WeakPolarHBondContact O-CB 3.4Å; H154-S157 PolarHBondContact O-N 2.84Å; H154-Q158 PolarHBondContact O-N 3.01Å |
| 155 | C | 95 | Very high | 94.6 | Very high | 65 Ų | 65 | 96.5 Ų | 96.5 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | D151 I152 S157 Q158 V159 | D151-C155 VanDerWaalsContact O-CB 3.23Å; D151-C155 WeakPolarHBondContact O-CB 3.46Å; D151-C155 PolarHBondContact O-N 3.4Å; I152-C155 PolarHBondContact O-N 2.92Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 2.95Å; C155-Q158 WeakPolarHBondContact O-CB 3.3Å; C155-Q158 PolarHBondContact O-N 3.5Å; C155-Q158 VanDerWaalsContact O-N 3.14Å; C155-V159 WeakPolarHBondContact O-CG2 3.17Å; C155-V159 PolarHBondContact O-N 3.43Å |
| 156 | Q | 95.8 | Very high | 94.1 | Very high | 123 Ų | 123 | 97.1 Ų | 97.1 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60 | -41.1 | 176.4 | -174.3 | 178.3 | 1.3 | 0 | 0 | 111.8 | I152 A153 H154 V159 L160 | I152-Q156 VanDerWaalsContact O-CB 3.3Å; I152-Q156 WeakPolarHBondContact O-CB 3.39Å; I152-Q156 PolarHBondContact O-N 3.45Å; A153-Q156 PolarHBondContact O-N 3.26Å; H154-Q156 PolarHBondContact O-N 2.86Å; Q156-V159 PolarHBondContact O-N 3.39Å; Q156-L160 HydrophobicContact CG-CD1 4.17Å; Q156-L160 WeakPolarHBondContact O-CB 3.4Å; Q156-L160 VanDerWaalsContact O-CG 3.25Å; Q156-L160 WeakPolarHBondContact O-CG 3.3Å; Q156-L160 PolarHBondContact O-N 3.05Å |
| 157 | S | 94.1 | Very high | 93.8 | Very high | 76 Ų | 76 | 96.7 Ų | 96.7 | 53% | 0.531 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 174 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | A153 H154 C155 L160 S161 | A153-S157 WeakPolarHBondContact O-CB 3.4Å; A153-S157 PolarHBondContact O-N 3.16Å; H154-S157 WeakPolarHBondContact O-CB 3.4Å; H154-S157 PolarHBondContact O-N 2.84Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 2.95Å; S157-L160 PolarHBondContact O-N 3.48Å; S157-S161 WeakPolarHBondContact O-CB 3.5Å; S157-S161 PolarHBondContact O-N 2.86Å; S157-S161 PolarHBondContact O-OG 3.39Å |
| 158 | Q | 94.8 | Very high | 93.2 | Very high | 97 Ų | 97 | 96.8 Ų | 96.8 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.5 | -166.3 | 179.2 | 33.3 | 0 | 0 | 111.8 | H154 C155 S161 Q162 | H154-Q158 PolarHBondContact O-N 3.01Å; C155-Q158 WeakPolarHBondContact O-CB 3.3Å; C155-Q158 PolarHBondContact O-N 3.5Å; C155-Q158 VanDerWaalsContact O-N 3.14Å; Q158-S161 WeakPolarHBondContact CA-OG 3.37Å; Q158-S161 PolarHBondContact O-N 2.85Å; Q158-S161 PolarHBondContact O-OG 3.18Å; Q158-S161 VanDerWaalsContact O-OG 3.04Å; Q158-Q162 WeakPolarHBondContact O-CB 3.24Å; Q158-Q162 WeakPolarHBondContact O-CG 3.43Å; Q158-Q162 PolarHBondContact O-N 3.4Å |
| 159 | V | 94 | Very high | 92.7 | Very high | 87 Ų | 87 | 98.7 Ų | 98.7 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 176 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | C155 Q156 K163 | C155-V159 WeakPolarHBondContact O-CG2 3.17Å; C155-V159 PolarHBondContact O-N 3.43Å; Q156-V159 PolarHBondContact O-N 3.39Å; V159-K163 VanDerWaalsContact O-CB 3.22Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 PolarHBondContact O-N 3.41Å |
| 160 | L | 94.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 98.2 Ų | 98.2 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -37 | 177.3 | -74.4 | 170.6 | 0 | 0 | 0 | 112.9 | Q156 S157 K164 | Q156-L160 HydrophobicContact CG-CD1 4.17Å; Q156-L160 WeakPolarHBondContact O-CB 3.4Å; Q156-L160 VanDerWaalsContact O-CG 3.25Å; Q156-L160 WeakPolarHBondContact O-CG 3.3Å; Q156-L160 PolarHBondContact O-N 3.05Å; S157-L160 PolarHBondContact O-N 3.48Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 2.91Å |
| 161 | S | 91.7 | Very high | 91.5 | Very high | 65 Ų | 65 | 96 Ų | 96 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.1 | -42.8 | 176.4 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | S157 Q158 K163 K164 L165 | S157-S161 WeakPolarHBondContact O-CB 3.5Å; S157-S161 PolarHBondContact O-N 2.86Å; S157-S161 PolarHBondContact O-OG 3.39Å; Q158-S161 WeakPolarHBondContact CA-OG 3.37Å; Q158-S161 PolarHBondContact O-N 2.85Å; Q158-S161 PolarHBondContact O-OG 3.18Å; Q158-S161 VanDerWaalsContact O-OG 3.04Å; S161-K163 VanDerWaalsContact C-N 3.34Å; S161-K163 PolarHBondContact O-N 3.31Å; S161-K164 PolarHBondContact O-N 3.45Å; S161-L165 PolarHBondContact O-N 2.96Å |
| 162 | Q | 91.8 | Very high | 90.6 | Very high | 116 Ų | 116 | 93.8 Ų | 93.8 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 170.8 | -73.3 | -173.5 | 21 | 0 | 0 | 111.7 | Q158 K164 L165 C166 | Q158-Q162 WeakPolarHBondContact O-CB 3.24Å; Q158-Q162 WeakPolarHBondContact O-CG 3.43Å; Q158-Q162 PolarHBondContact O-N 3.4Å; Q162-K164 PolarHBondContact O-N 3.39Å; Q162-L165 PolarHBondContact O-N 3.44Å; Q162-C166 PolarHBondContact O-N 2.96Å; Q162-C166 PolarHBondContact O-SG 3.44Å |
| 163 | K | 93.6 | Very high | 89.7 | Confident | 123 Ų | 123 | 91.5 Ų | 91.5 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 175.4 | -177.9 | -178 | 173.9 | -176 | 0 | 111.5 | V159 S161 L165 C166 D167 | V159-K163 VanDerWaalsContact O-CB 3.22Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 PolarHBondContact O-N 3.41Å; S161-K163 VanDerWaalsContact C-N 3.34Å; S161-K163 PolarHBondContact O-N 3.31Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.49Å; K163-C166 CarbonylContact O-C 3.58Å; K163-C166 WeakPolarHBondContact O-CB 3.44Å; K163-C166 PolarHBondContact O-N 2.86Å; K163-C166 VanDerWaalsContact O-N 3.12Å; K163-D167 VanDerWaalsContact CE-OD2 3.29Å; K163-D167 WeakPolarHBondContact CE-OD2 3.48Å; K163-D167 WeakPolarHBondContact CG-OD2 3.38Å; K163-D167 PolarHBondContact O-N 3.25Å |
| 164 | K | 92.1 | Very high | 88.7 | Confident | 152 Ų | 152 | 95.8 Ų | 95.8 | 66% | 0.661 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.3 | -43.5 | 176.1 | -76.5 | 174.4 | 178.6 | -178.1 | 0 | 112.1 | L160 S161 Q162 C166 D167 E168 | L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 2.91Å; S161-K164 PolarHBondContact O-N 3.45Å; Q162-K164 PolarHBondContact O-N 3.39Å; K164-C166 VanDerWaalsContact C-N 3.32Å; K164-C166 PolarHBondContact O-N 3.42Å; K164-D167 PolarHBondContact O-N 3.25Å; K164-E168 VanDerWaalsContact O-CB 3.27Å; K164-E168 WeakPolarHBondContact O-CB 3.46Å; K164-E168 PolarHBondContact O-N 3.23Å |
| 165 | L | 87 | Confident | 87.7 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 178.8 | -144.8 | 173.1 | 0 | 0 | 0 | 111.8 | S161 Q162 K163 K169 | S161-L165 PolarHBondContact O-N 2.96Å; Q162-L165 PolarHBondContact O-N 3.44Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 3.49Å; L165-K169 HydrophobicContact CD2-CD 3.84Å; L165-K169 VanDerWaalsContact CD2-CE 3.43Å; L165-K169 HydrophobicContact CD2-CG 4.21Å; L165-K169 WeakPolarHBondContact O-CB 3.14Å; L165-K169 VanDerWaalsContact O-CG 3.32Å; L165-K169 WeakPolarHBondContact O-CG 3.42Å; L165-K169 PolarHBondContact O-N 3.33Å |
| 166 | C | 85.4 | Confident | 86.5 | Confident | 75 Ų | 75 | 98.6 Ų | 98.6 | 51% | 0.507 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.2 | -47 | 170.6 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | Q162 K163 K164 E168 K169 V170 | Q162-C166 PolarHBondContact O-N 2.96Å; Q162-C166 PolarHBondContact O-SG 3.44Å; K163-C166 CarbonylContact O-C 3.58Å; K163-C166 WeakPolarHBondContact O-CB 3.44Å; K163-C166 PolarHBondContact O-N 2.86Å; K163-C166 VanDerWaalsContact O-N 3.12Å; K164-C166 VanDerWaalsContact C-N 3.32Å; K164-C166 PolarHBondContact O-N 3.42Å; C166-E168 VanDerWaalsContact C-N 3.29Å; C166-E168 PolarHBondContact O-N 3.48Å; C166-K169 PolarHBondContact O-N 3.36Å; C166-V170 WeakPolarHBondContact O-CB 3.3Å; C166-V170 VanDerWaalsContact O-CG2 3.29Å; C166-V170 WeakPolarHBondContact O-CG2 3.38Å; C166-V170 PolarHBondContact O-N 2.96Å |
| 167 | D | 89.6 | Confident | 85.2 | Confident | 88 Ų | 88 | 97.1 Ų | 97.1 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 177.6 | -71 | -27.8 | 0 | 0 | 0 | 110.8 | K163 K164 V170 A171 | K163-D167 VanDerWaalsContact CE-OD2 3.29Å; K163-D167 WeakPolarHBondContact CE-OD2 3.48Å; K163-D167 WeakPolarHBondContact CG-OD2 3.38Å; K163-D167 PolarHBondContact O-N 3.25Å; K164-D167 PolarHBondContact O-N 3.25Å; D167-V170 PolarHBondContact O-N 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.28Å; D167-A171 PolarHBondContact O-N 3.47Å |
| 168 | E | 85.4 | Confident | 83.6 | Confident | 135 Ų | 135 | 100 Ų | 100 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -49.4 | 173.3 | -177.2 | 179.8 | -173.2 | 0 | 0 | 112.3 | K164 C166 V170 A171 A172 | K164-E168 VanDerWaalsContact O-CB 3.27Å; K164-E168 WeakPolarHBondContact O-CB 3.46Å; K164-E168 PolarHBondContact O-N 3.23Å; C166-E168 VanDerWaalsContact C-N 3.29Å; C166-E168 PolarHBondContact O-N 3.48Å; E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 3.13Å; E168-A171 WeakPolarHBondContact O-CB 3.28Å; E168-A171 PolarHBondContact O-N 3.42Å; E168-A171 VanDerWaalsContact O-N 3.16Å; E168-A172 PolarHBondContact O-N 2.77Å |
| 169 | K | 85.2 | Confident | 82 | Confident | 139 Ų | 139 | 103.4 Ų | 103.4 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.2 | -37.8 | 175.4 | -79.2 | 175.3 | 174.1 | 176.5 | 0 | 112.5 | L165 C166 A172 A173 | L165-K169 HydrophobicContact CD2-CD 3.84Å; L165-K169 VanDerWaalsContact CD2-CE 3.43Å; L165-K169 HydrophobicContact CD2-CG 4.21Å; L165-K169 WeakPolarHBondContact O-CB 3.14Å; L165-K169 VanDerWaalsContact O-CG 3.32Å; L165-K169 WeakPolarHBondContact O-CG 3.42Å; L165-K169 PolarHBondContact O-N 3.33Å; C166-K169 PolarHBondContact O-N 3.36Å; K169-A172 PolarHBondContact O-N 3.48Å; K169-A173 WeakPolarHBondContact O-CB 3.39Å; K169-A173 PolarHBondContact O-N 2.92Å |
| 170 | V | 84.6 | Confident | 80.2 | Confident | 74 Ų | 74 | 105.4 Ų | 105.4 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69 | -36.5 | 175.3 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | C166 D167 E168 K174 | C166-V170 WeakPolarHBondContact O-CB 3.3Å; C166-V170 VanDerWaalsContact O-CG2 3.29Å; C166-V170 WeakPolarHBondContact O-CG2 3.38Å; C166-V170 PolarHBondContact O-N 2.96Å; D167-V170 PolarHBondContact O-N 3.25Å; E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 3.13Å; V170-K174 HydrophobicContact CG1-CD 4.18Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.27Å; V170-K174 PolarHBondContact O-N 3Å |
| 171 | A | 83.6 | Confident | 78.3 | Confident | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -44.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | D167 E168 K174 L175 | D167-A171 WeakPolarHBondContact O-CB 3.28Å; D167-A171 PolarHBondContact O-N 3.47Å; E168-A171 WeakPolarHBondContact O-CB 3.28Å; E168-A171 PolarHBondContact O-N 3.42Å; E168-A171 VanDerWaalsContact O-N 3.16Å; A171-K174 PolarHBondContact O-N 3.35Å; A171-L175 PolarHBondContact O-N 2.77Å |
| 172 | A | 78.5 | Confident | 76 | Confident | 53 Ų | 53 | 110.8 Ų | 110.8 | 44% | 0.438 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.9 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E168 K169 K174 L175 E176 | E168-A172 PolarHBondContact O-N 2.77Å; K169-A172 PolarHBondContact O-N 3.48Å; A172-K174 VanDerWaalsContact C-N 3.32Å; A172-K174 PolarHBondContact O-N 2.96Å; A172-L175 WeakPolarHBondContact O-CB 3.28Å; A172-L175 PolarHBondContact O-N 2.96Å; A172-L175 VanDerWaalsContact O-N 3.08Å; A172-E176 PolarHBondContact O-N 3.15Å |
| 173 | A | 76.3 | Confident | 73.5 | Confident | 49 Ų | 49 | 113.9 Ų | 113.9 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.6 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K169 L175 E176 V177 | K169-A173 WeakPolarHBondContact O-CB 3.39Å; K169-A173 PolarHBondContact O-N 2.92Å; A173-L175 VanDerWaalsContact C-N 3.34Å; A173-L175 PolarHBondContact O-N 3.46Å; A173-E176 PolarHBondContact O-N 2.91Å; A173-V177 WeakPolarHBondContact O-CG2 3.3Å; A173-V177 PolarHBondContact O-N 3.32Å |
| 174 | K | 75.6 | Confident | 70.9 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 61% | 0.613 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64 | -35.9 | 173 | -79.1 | 171.6 | 179.2 | 177.1 | 0 | 112.7 | V170 A171 A172 V177 Q178 | V170-K174 HydrophobicContact CG1-CD 4.18Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 VanDerWaalsContact O-CG 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.27Å; V170-K174 PolarHBondContact O-N 3Å; A171-K174 PolarHBondContact O-N 3.35Å; A172-K174 VanDerWaalsContact C-N 3.32Å; A172-K174 PolarHBondContact O-N 2.96Å; K174-V177 PolarHBondContact O-N 3.42Å; K174-Q178 PolarHBondContact O-N 3.36Å |
| 175 | L | 73.9 | Confident | 68.4 | Low | 115 Ų | 115 | 113.3 Ų | 113.3 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.7 | -39.2 | 174.7 | -74.9 | 169.1 | 0 | 0 | 0 | 112.2 | A171 A172 A173 Q178 K179 | A171-L175 PolarHBondContact O-N 2.77Å; A172-L175 WeakPolarHBondContact O-CB 3.28Å; A172-L175 PolarHBondContact O-N 2.96Å; A172-L175 VanDerWaalsContact O-N 3.08Å; A173-L175 VanDerWaalsContact C-N 3.34Å; A173-L175 PolarHBondContact O-N 3.46Å; L175-Q178 PolarHBondContact O-N 2.92Å; L175-K179 VanDerWaalsContact O-CB 3.3Å; L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 2.65Å |
| 176 | E | 70 | Confident | 67.3 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 62% | 0.621 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.4 | -42.9 | 171.7 | -68.7 | -164.5 | 122.8 | 0 | 0 | 111.9 | A172 A173 K179 N180 | A172-E176 PolarHBondContact O-N 3.15Å; A173-E176 PolarHBondContact O-N 2.91Å; E176-K179 PolarHBondContact O-N 3.17Å; E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 3.06Å; E176-N180 PolarHBondContact O-ND2 3.38Å |
| 177 | V | 68.8 | Low | 66 | Low | 91 Ų | 91 | 116.5 Ų | 116.5 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -45.4 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | A173 K174 K179 N180 V181 | A173-V177 WeakPolarHBondContact O-CG2 3.3Å; A173-V177 PolarHBondContact O-N 3.32Å; K174-V177 PolarHBondContact O-N 3.42Å; V177-K179 PolarHBondContact O-N 2.82Å; V177-N180 PolarHBondContact O-N 3.42Å; V177-V181 HydrophobicContact CG1-CG2 4.34Å; V177-V181 WeakPolarHBondContact O-CB 3.48Å; V177-V181 VanDerWaalsContact O-CG2 3.27Å; V177-V181 WeakPolarHBondContact O-CG2 3.25Å; V177-V181 PolarHBondContact O-N 2.84Å |
| 178 | Q | 60.5 | Low | 63.2 | Low | 136 Ų | 136 | 117.4 Ų | 117.4 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.6 | -42.9 | 174.9 | -84.7 | -169.6 | -2.3 | 0 | 0 | 112.7 | K174 L175 N180 V181 Q182 | K174-Q178 PolarHBondContact O-N 3.36Å; L175-Q178 PolarHBondContact O-N 2.92Å; Q178-N180 PolarHBondContact O-N 2.92Å; Q178-V181 CarbonylContact O-C 3.57Å; Q178-V181 PolarHBondContact O-N 3.04Å; Q178-Q182 PolarHBondContact O-N 3.5Å |
| 179 | K | 59.9 | Low | 60.4 | Low | 169 Ų | 169 | 114.9 Ų | 114.9 | 74% | 0.735 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.3 | -34.5 | 176.6 | -174.3 | 179.4 | 177.6 | -175.2 | 0 | 112.2 | L175 E176 V177 | L175-K179 VanDerWaalsContact O-CB 3.3Å; L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 2.65Å; E176-K179 PolarHBondContact O-N 3.17Å; V177-K179 PolarHBondContact O-N 2.82Å |
| 180 | N | 57.7 | Low | 57.7 | Low | 130 Ų | 130 | 113.9 Ų | 113.9 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -80.6 | -22.9 | 175.3 | -66.9 | -27.2 | 0 | 0 | 0 | 113.6 | E176 V177 Q178 | E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 3.06Å; E176-N180 PolarHBondContact O-ND2 3.38Å; V177-N180 PolarHBondContact O-N 3.42Å; Q178-N180 PolarHBondContact O-N 2.92Å |
| 181 | V | 53.8 | Low | 56 | Low | 95 Ų | 95 | 115.5 Ų | 115.5 | 58% | 0.576 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -86.7 | -10.6 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 112.9 | V177 Q178 K183 | V177-V181 HydrophobicContact CG1-CG2 4.34Å; V177-V181 WeakPolarHBondContact O-CB 3.48Å; V177-V181 VanDerWaalsContact O-CG2 3.27Å; V177-V181 WeakPolarHBondContact O-CG2 3.25Å; V177-V181 PolarHBondContact O-N 2.84Å; Q178-V181 CarbonylContact O-C 3.57Å; Q178-V181 PolarHBondContact O-N 3.04Å; V181-K183 PolarHBondContact O-N 3.48Å |
| 182 | Q | 43.8 | Very low | 53.5 | Low | 175 Ų | 175 | 118.5 Ų | 118.5 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -71.9 | 40.4 | 174.8 | -161.2 | 85.9 | 80 | 0 | 0 | 113.5 | Q178 | Q178-Q182 PolarHBondContact O-N 3.5Š|
| 183 | K | 37.4 | Very low | 51.3 | Low | 182 Ų | 182 | 123.6 Ų | 123.6 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -149.9 | 119.1 | 172.6 | -155.6 | 173.9 | -175.3 | 179.6 | 0 | 109.9 | V181 | V181-K183 PolarHBondContact O-N 3.48Š|
| 184 | V | 39.2 | Very low | 49.1 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 80.4 | 90.5 | 179.8 | -166.9 | 0 | 0 | 0 | 0 | 116.5 | ||
| 185 | V | 40.6 | Very low | 47 | Very low | 122 Ų | 122 | 129 Ų | 129 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | trans | -159.6 | 153 | 170.3 | 174 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 186 | P | 64.6 | Low | 45 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | cis | -109.8 | -125.3 | -4.6 | 23.6 | 3 | 0 | 0 | 0 | 108.9 | ||||
| 187 | P | 57.3 | Low | 43 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | cis | -143.1 | 175.6 | -15 | 44.2 | -24.8 | 0 | 0 | 0 | 119.7 | ||||
| 188 | A | 30.8 | Very low | 41.2 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | trans | 76 | 125.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 189 | G | 25.7 | Very low | 39.7 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | 159.4 | 111.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 190 | S | 29.7 | Very low | 38.3 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -146.4 | -178 | 172 | 66.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 191 | P | 49.2 | Very low | 37 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | cis | -146.7 | -165.3 | 11.9 | 36 | -10 | 0 | 0 | 0 | 117.3 | ||||
| 192 | T | 29.8 | Very low | 36 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | trans | 92.5 | 108.3 | 143.8 | -57.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 193 | Q | 32.6 | Very low | 35.3 | Very low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 41.4 | 164.7 | 130.1 | -44.7 | -174.1 | 12.3 | 0 | 0 | 122.6 | ||||
| 194 | Q | 30.6 | Very low | 34.9 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | cis | -163.4 | 153.4 | 11.2 | -149.3 | -177.2 | 90 | 0 | 0 | 113.3 | ||||
| 195 | K | 30.7 | Very low | 34.5 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | 64.9 | 159.1 | 151.4 | -93.5 | 178.2 | -168 | 148.7 | 0 | 120.9 | ||||
| 196 | K | 31.5 | Very low | 34.4 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | cis | -158.2 | 173.7 | -12.6 | -155.8 | -143.8 | 174.7 | -159.6 | 0 | 109.8 | E198 | K196-E198 WeakPolarHBondContact CD-OE2 3.32Å; K196-E198 WeakPolarHBondContact CE-OE2 3.42Å; K196-E198 IonicContact NZ-OE1 2.62Å; K196-E198 PolarHBondContact NZ-OE1 2.93Å; K196-E198 IonicContact NZ-OE2 2.9Å; K196-E198 PolarHBondContact NZ-OE2 3.48Å | ||
| 197 | A | 29.4 | Very low | 32.8 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | trans | 83.8 | 145.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 198 | E | 31.4 | Very low | 31.5 | Very low | 141 Ų | 141 | 126 Ų | 126 | 66% | 0.659 | 74% | 0.736 | S | S | * | * | cis | -165.9 | 169.2 | -32.1 | -142.6 | 124 | 170.9 | 0 | 0 | 110.6 | K196 | K196-E198 WeakPolarHBondContact CD-OE2 3.32Å; K196-E198 WeakPolarHBondContact CE-OE2 3.42Å; K196-E198 IonicContact NZ-OE1 2.62Å; K196-E198 PolarHBondContact NZ-OE1 2.93Å; K196-E198 IonicContact NZ-OE2 2.9Å; K196-E198 PolarHBondContact NZ-OE2 3.48Å | ||
| 199 | A | 29.1 | Very low | 31.5 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | trans | 64.8 | 139.1 | 172 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 200 | G | 28.6 | Very low | 31.6 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | cis | 169.9 | 129.4 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 201 | E | 31.8 | Very low | 31.8 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | 65.7 | 141.9 | 141.3 | -56.1 | -172.1 | 98.2 | 0 | 0 | 119.2 | ||||
| 202 | Q | 31.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | cis | -160.6 | 158.5 | -2.7 | -124 | -174.3 | 48.2 | 0 | 0 | 111.6 | ||||
| 203 | K | 30 | Very low | 31.4 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | trans | 32 | 149.5 | 134.1 | -82.2 | -178.5 | 173.7 | -80.5 | 0 | 121.9 | ||||
| 204 | E | 28.6 | Very low | 31.4 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -168.1 | 162 | -11.5 | -146.2 | 157.7 | -141.6 | 0 | 0 | 109.8 | ||||
| 205 | E | 31.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | -74.6 | 160.1 | 158.2 | -110.2 | -171.9 | 116.4 | 0 | 0 | 110.1 | ||||
| 206 | P | 38.4 | Very low | 31.5 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | -155.2 | -175.1 | 57.5 | 42.9 | -20.7 | 0 | 0 | 0 | 118.9 | |||||
| 207 | I | 31.8 | Very low | 31.4 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -55.4 | 142.9 | 177.2 | -62.5 | 151.4 | 0 | 0 | 0 | 115.5 | ||||
| 208 | G | 29.6 | Very low | 31.3 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -164.1 | 128.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 209 | K | 30.9 | Very low | 31.2 | Very low | 209 Ų | 209 | 127.4 Ų | 127.4 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -96.1 | 137.3 | -173.8 | -68.6 | 179 | 176.2 | -179.9 | 0 | 113.8 | ||||
| 210 | A | 28.2 | Very low | 31.2 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -164.1 | 145 | 136.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 211 | A | 32.2 | Very low | 31.2 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -131.9 | 170.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 212 | P | 42.3 | Very low | 31 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | cis | -116.2 | -171.1 | 22.3 | 40.6 | -23.7 | 0 | 0 | 0 | 112.6 | ||||
| 213 | T | 29.1 | Very low | 30.8 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | cis | -144.6 | 125.9 | 18.7 | -31.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 214 | E | 32.3 | Very low | 30.9 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -1.6 | 131.3 | 152.6 | -62.6 | 160.2 | 163.1 | 0 | 0 | 121.9 | ||||
| 215 | A | 31 | Very low | 31.1 | Very low | 106 Ų | 106 | 128 Ų | 128 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -154.2 | 111.7 | 133.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 216 | E | 31.9 | Very low | 31.4 | Very low | 194 Ų | 194 | 126.3 Ų | 126.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -87.8 | 160.2 | 178.2 | -106.3 | -171.9 | 123.3 | 0 | 0 | 112 | ||||
| 217 | A | 29.8 | Very low | 31 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | cis | -149.3 | 168.8 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 218 | A | 28.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -111.8 | -177.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 219 | A | 29.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 127 Ų | 127 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | cis | -151.1 | 141.6 | 3.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 220 | A | 28.5 | Very low | 31.6 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | 55.2 | 113.3 | 94.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 221 | A | 27.8 | Very low | 31.5 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -155.5 | 99.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 222 | V | 28.6 | Very low | 31.5 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -6.1 | 135.2 | 155.4 | -179.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 223 | S | 26.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -128.6 | 143.7 | 156.8 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 224 | Q | 33.1 | Very low | 30.7 | Very low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -95.7 | 156.9 | -176.6 | -67.3 | -175.3 | -4.6 | 0 | 0 | 112.5 | ||||
| 225 | K | 31.8 | Very low | 30.7 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | trans | -135.9 | 139.6 | -179.6 | -159.8 | -154.1 | -174.4 | -165.2 | 0 | 110.7 | N227 | K225-N227 VanDerWaalsContact CE-OD1 3.24Å; K225-N227 WeakPolarHBondContact CE-OD1 3.43Å; K225-N227 PolarHBondContact NZ-OD1 2.9Å | ||
| 226 | P | 38.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | -133.7 | 123.3 | 115 | 14 | 6.7 | 0 | 0 | 0 | 111.4 | |||||
| 227 | N | 29.1 | Very low | 30.9 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | 64.2 | 102.2 | 99.6 | -75.3 | -1.6 | 0 | 0 | 0 | 113.9 | K225 | K225-N227 VanDerWaalsContact CE-OD1 3.24Å; K225-N227 WeakPolarHBondContact CE-OD1 3.43Å; K225-N227 PolarHBondContact NZ-OD1 2.9Å | |||
| 228 | I | 35.9 | Very low | 30.8 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | 81.2 | 140.4 | 72.1 | -74.8 | 174.2 | 0 | 0 | 0 | 111.9 | |||||
| 229 | P | 40.1 | Very low | 31 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -123.3 | 163.3 | 5.9 | 36 | -21 | 0 | 0 | 0 | 116.2 | ||||
| 230 | Q | 29 | Very low | 31.3 | Very low | 203 Ų | 203 | 134.5 Ų | 134.5 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | trans | -133.9 | 143 | 143.2 | -159.1 | 175.8 | 19.6 | 0 | 0 | 107.9 | ||||
| 231 | G | 27.3 | Very low | 31.4 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | -116.2 | 147 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 232 | K | 32.1 | Very low | 31.6 | Very low | 223 Ų | 223 | 138 Ų | 138 | 97% | 0.97 | 77% | 0.771 | S | S | * | * | trans | 70.2 | 121.7 | 166.1 | -55.7 | -178.9 | 177.3 | -177.4 | 0 | 116.9 | ||||
| 233 | G | 27.5 | Very low | 31.8 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 142.7 | 48.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 234 | S | 27.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -76.3 | 142.9 | 167.9 | -157.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 235 | K | 32.7 | Very low | 31.9 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | 61.5 | 137 | 48.1 | -83.5 | -164.6 | 178.7 | -169.9 | 0 | 113.5 | ||||
| 236 | V | 31.3 | Very low | 32 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | cis | -162.6 | 164.5 | -11 | 93.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 237 | S | 34 | Very low | 31.6 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 26.1 | 149.6 | 158.7 | -49.8 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 238 | E | 28.7 | Very low | 31.8 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | 113 | 155.9 | 126 | -102.1 | 162.2 | 128.3 | 0 | 0 | 122.4 | |||||
| 239 | L | 33.1 | Very low | 31.5 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -83.5 | 154.1 | -156.7 | -67.7 | 143.8 | 0 | 0 | 0 | 114.2 | ||||
| 240 | L | 34.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | -174.4 | 131.6 | 109.2 | -119.1 | 80.4 | 0 | 0 | 0 | 114.5 | |||||
| 241 | I | 31.9 | Very low | 30.7 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | 41 | 126 | 132.9 | -62.7 | 174.4 | 0 | 0 | 0 | 121.4 | ||||
| 242 | N | 31.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 154 Ų | 154 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | 38.6 | 129.4 | 151.3 | -58.4 | -3.9 | 0 | 0 | 0 | 121.9 | ||||
| 243 | N | 32.2 | Very low | 31 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | -155.4 | 158.4 | 113 | -111.9 | -35.1 | 0 | 0 | 0 | 113.7 | |||||
| 244 | I | 32.3 | Very low | 31.5 | Very low | 147 Ų | 147 | 154 Ų | 154 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -81 | 132.9 | 179.3 | -64.4 | 163.5 | 0 | 0 | 0 | 109.2 | T246 | I244-T246 HydrophobicContact CG2-CG2 4.43Š| ||
| 245 | N | 29.3 | Very low | 31.4 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -104.9 | 65.5 | 179.4 | -164 | 60.3 | 0 | 0 | 0 | 112.4 | ||||
| 246 | T | 33.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 153.9 Ų | 153.9 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 105.6 | 156.8 | 37.7 | 0 | 0 | 0 | 0 | 108.6 | I244 | I244-T246 HydrophobicContact CG2-CG2 4.43Š| ||
| 247 | D | 29.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -172.2 | 105 | 150 | -97.4 | -22.3 | 0 | 0 | 0 | 110.6 | ||||
| 248 | K | 34.6 | Very low | 31 | Very low | 209 Ų | 209 | 158.2 Ų | 158.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -154 | 95.9 | 147.7 | -159.7 | 163.3 | -171.1 | 175.5 | 0 | 110.8 | ||||
| 249 | E | 28.6 | Very low | 31 | Very low | 184 Ų | 184 | 156.3 Ų | 156.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -63.9 | 158.2 | -178.6 | -163.8 | 172.3 | -168.3 | 0 | 0 | 113 | ||||
| 250 | W | 26.3 | Very low | 30.9 | Very low | 245 Ų | 245 | 154.7 Ų | 154.7 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | -70.8 | 148 | 171.8 | -59 | -31.1 | 0 | 0 | 0 | 111.7 | ||||
| 251 | S | 26.8 | Very low | 30.6 | Very low | 110 Ų | 110 | 156.7 Ų | 156.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -166.1 | 123 | 137.5 | -83.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 252 | E | 30.9 | Very low | 30.4 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | 44 | 135.7 | 135.7 | -51.9 | -169.3 | 139.8 | 0 | 0 | 122.2 | ||||
| 253 | Q | 34.9 | Very low | 30.3 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -73.8 | 166.4 | 164.7 | -57.8 | 175.1 | -89.8 | 0 | 0 | 111 | ||||
| 254 | P | 36.5 | Very low | 30.3 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | -146.3 | 162.1 | 111.9 | 37.7 | -24.1 | 0 | 0 | 0 | 117 | |||||
| 255 | L | 26.6 | Very low | 30.3 | Very low | 151 Ų | 151 | 157.4 Ų | 157.4 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | 52.3 | 104.1 | 150.7 | -95.3 | 61.1 | 0 | 0 | 0 | 122.1 | ||||
| 256 | I | 32.8 | Very low | 30.2 | Very low | 143 Ų | 143 | 155 Ų | 155 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | 23.5 | 115.2 | 112.5 | -42 | 165.9 | 0 | 0 | 0 | 117.7 | |||||
| 257 | D | 28.7 | Very low | 30.1 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | 169 | 125.3 | 114 | -104.2 | -32.7 | 0 | 0 | 0 | 112.3 | |||||
| 258 | D | 26.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | -175 | 176.9 | 126.6 | -151.8 | -8.7 | 0 | 0 | 0 | 110.6 | |||||
| 259 | L | 29.1 | Very low | 30 | Very low | 140 Ų | 140 | 151.7 Ų | 151.7 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | -102.8 | 164.5 | -146 | -101 | 63.3 | 0 | 0 | 0 | 119.3 | ||||
| 260 | S | 31.3 | Very low | 30 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | 89.1 | 148.6 | 153.9 | 89.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 261 | K | 28.6 | Very low | 30.1 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | cis | -159.2 | 133.5 | 12.3 | -172.2 | -179 | 177.9 | -177.6 | 0 | 112.6 | ||||
| 262 | A | 28.3 | Very low | 30.2 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 61.6 | 160.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 263 | E | 29.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | cis | -132.4 | 172.9 | 13.5 | -165.5 | 167.9 | 170.1 | 0 | 0 | 111.1 | ||||
| 264 | S | 31.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -122.5 | 132 | -166.5 | -56.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 265 | Q | 31.1 | Very low | 29.4 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -146.9 | 138.9 | 150.2 | -130.3 | 172.6 | 15.3 | 0 | 0 | 113 | ||||
| 266 | S | 29.2 | Very low | 29.5 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -85.3 | 170 | 176.3 | 51.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 267 | V | 30.8 | Very low | 29.4 | Very low | 128 Ų | 128 | 147 Ų | 147 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | cis | -153.2 | 150.5 | 37.5 | 177.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 268 | P | 34.3 | Very low | 29.4 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -102.6 | 165.1 | 179.5 | 39.5 | -35.5 | 0 | 0 | 0 | 115.1 | ||||
| 269 | M | 28.2 | Very low | 29.5 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -178.2 | 122.8 | 135.4 | -99.5 | -172 | 90.7 | 0 | 0 | 110 | ||||
| 270 | V | 27.8 | Very low | 29.6 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | 78.6 | 126 | 84.5 | 169 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 271 | G | 28.2 | Very low | 29.5 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 165.4 | 75.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 272 | S | 30.2 | Very low | 29.5 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -95.2 | 162.7 | 172.8 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 273 | E | 28.1 | Very low | 29.6 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 111.1 | 109.1 | 154.3 | -62.6 | -141.7 | 76.3 | 0 | 0 | 120.5 | ||||
| 274 | N | 28.9 | Very low | 29.5 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | 36.8 | 118.7 | 124.5 | -67.7 | -45.4 | 0 | 0 | 0 | 120.5 | |||||
| 275 | R | 27.9 | Very low | 29.2 | Very low | 255 Ų | 255 | 139.8 Ų | 139.8 | 96% | 0.962 | 76% | 0.758 | S | S | * | * | -147.1 | 150.4 | 124.1 | -129.9 | 174.8 | -174.1 | 179.6 | 2 | 112.8 | |||||
| 276 | N | 27.9 | Very low | 29.2 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -131 | 168.4 | -169.9 | -133.4 | -28.6 | 0 | 0 | 0 | 109.9 | ||||
| 277 | K | 31.8 | Very low | 29 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | 78.2 | 146.9 | -177.7 | -51.9 | -169.8 | 171 | -172.3 | 0 | 114.2 | ||||
| 278 | L | 27.7 | Very low | 28.9 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | cis | -161.2 | 169.8 | -0.3 | -133.7 | 39.3 | 0 | 0 | 0 | 107.2 | ||||
| 279 | Q | 29.7 | Very low | 28.6 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | cis | -154.7 | -170.6 | 8.1 | -159.5 | 156.3 | -28.1 | 0 | 0 | 111.5 | ||||
| 280 | Q | 30.5 | Very low | 28.5 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | trans | -41.2 | 170.9 | 168.6 | -68.4 | 161.3 | -43.1 | 0 | 0 | 117.5 | ||||
| 281 | K | 29.6 | Very low | 28.5 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 74% | 0.735 | 75% | 0.747 | S | S | * | * | cis | -163.1 | 137.6 | 41.7 | -163.5 | 171.3 | -178.5 | -173.6 | 0 | 118.1 | ||||
| 282 | E | 28.9 | Very low | 28.5 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | 16.7 | 156.4 | 145.2 | -54.5 | 157.4 | 169.3 | 0 | 0 | 121.6 | ||||
| 283 | G | 29.2 | Very low | 28.3 | Very low | 62 Ų | 62 | 143.8 Ų | 143.8 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | cis | -160.6 | 155.7 | 8.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 284 | E | 28.5 | Very low | 28.5 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | 88.6 | 142.6 | 89.3 | -72.8 | -151.8 | 115.5 | 0 | 0 | 114 | K286 | E284-K286 IonicContact OE1-NZ 2.99Å; E284-K286 PolarHBondContact OE1-NZ 2.91Å | |||
| 285 | G | 25.2 | Very low | 28.3 | Very low | 64 Ų | 64 | 142.7 Ų | 142.7 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | cis | -116.6 | 173 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 286 | K | 30.4 | Very low | 28.4 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | cis | 63.7 | 138.5 | 49.2 | -67.4 | 177.1 | -175.2 | 154.7 | 0 | 112.7 | E284 | E284-K286 IonicContact OE1-NZ 2.99Å; E284-K286 PolarHBondContact OE1-NZ 2.91Å | ||
| 287 | T | 26.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | cis | -131.2 | 144.7 | 23.7 | 32.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 288 | S | 27.5 | Very low | 28.5 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | 42.5 | 140.9 | 91.7 | 72.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 289 | E | 27.4 | Very low | 28.6 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | cis | -134.3 | 157.1 | 27.4 | -69.1 | 171.8 | 112.4 | 0 | 0 | 110.9 | ||||
| 290 | A | 27.2 | Very low | 28.7 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | 85.8 | 132.8 | 42.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 291 | T | 28.6 | Very low | 28.7 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | 105.1 | 83.4 | 155.3 | -45.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 292 | T | 27.6 | Very low | 28.9 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | 78.5 | 119.7 | 115.3 | -55.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 293 | R | 26.5 | Very low | 29 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | 82.3 | 133.2 | 144.4 | -82.6 | 171.9 | -175.4 | 176 | 0.9 | 124.2 | ||||
| 294 | K | 30.8 | Very low | 29.3 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 67.4 | 127.9 | 138.7 | -72.8 | -174 | 174.3 | -167.5 | 0 | 120.4 | ||||
| 295 | G | 24.3 | Very low | 29.6 | Very low | 83 Ų | 83 | 145 Ų | 145 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -175.3 | 125.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 296 | L | 30.1 | Very low | 30 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 119.6 | 176.5 | 178.2 | 144.1 | 0 | 0 | 0 | 108.9 | ||||
| 297 | T | 32.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -149.9 | 113.3 | 173.7 | 45.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 298 | N | 29.6 | Very low | 30.7 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -75.1 | 146.2 | 158.4 | -61.6 | -16.4 | 0 | 0 | 0 | 108.1 | ||||
| 299 | H | 30.5 | Very low | 30.8 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -136.3 | 131.7 | 154.1 | -100.3 | -83.3 | 0 | 0 | 0 | 109 | ||||
| 300 | L | 31.6 | Very low | 30.9 | Very low | 162 Ų | 162 | 151 Ų | 151 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -137.3 | 122.7 | 178.8 | -177.3 | 87.4 | 0 | 0 | 0 | 106.4 | ||||
| 301 | M | 31.9 | Very low | 31.1 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | trans | 174.6 | 123.5 | 148.8 | -103.6 | 170.9 | 171.3 | 0 | 0 | 109.2 | ||||
| 302 | D | 32.8 | Very low | 31.4 | Very low | 172 Ų | 172 | 154 Ų | 154 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | -159.2 | 112.2 | 122.6 | -98.9 | -29.9 | 0 | 0 | 0 | 106.7 | |||||
| 303 | D | 30.7 | Very low | 31.6 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -74.9 | 145.2 | 169.9 | -83.5 | -57.6 | 0 | 0 | 0 | 109.3 | ||||
| 304 | K | 36.8 | Very low | 31.8 | Very low | 177 Ų | 177 | 156 Ų | 156 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -160.3 | 142 | 140.3 | -116.3 | -176.9 | 167.8 | -156.3 | 0 | 116.6 | ||||
| 305 | D | 34.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | 61 | 89.9 | 151.7 | -54.1 | -27.4 | 0 | 0 | 0 | 117.6 | ||||
| 306 | I | 33.8 | Very low | 32 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -72.6 | 136 | 156.3 | -75.3 | 171.3 | 0 | 0 | 0 | 109.1 | V308 | I306-V308 HydrophobicContact CG2-CG2 3.64Š| ||
| 307 | E | 35.1 | Very low | 32 | Very low | 200 Ų | 200 | 157.1 Ų | 157.1 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -135.4 | 148 | 156.9 | -155.2 | 160 | -130.6 | 0 | 0 | 109.3 | ||||
| 308 | V | 35.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 156.3 Ų | 156.3 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | trans | -136.4 | 137.6 | -161.7 | 170.5 | 0 | 0 | 0 | 0 | 111 | I306 | I306-V308 HydrophobicContact CG2-CG2 3.64Š| ||
| 309 | M | 29.4 | Very low | 32 | Very low | 160 Ų | 160 | 157.6 Ų | 157.6 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | 63.5 | 127.8 | 173.3 | -74 | 164.3 | 50.7 | 0 | 0 | 116.4 | ||||
| 310 | D | 29.2 | Very low | 32.1 | Very low | 149 Ų | 149 | 157.5 Ų | 157.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | -127.9 | 155.8 | 114.1 | -154.8 | -9.8 | 0 | 0 | 0 | 108.9 | |||||
| 311 | V | 33.2 | Very low | 32.1 | Very low | 94 Ų | 94 | 154.2 Ų | 154.2 | 57% | 0.57 | 79% | 0.789 | S | S | * | * | trans | -127.4 | 121.3 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 312 | H | 33.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 153 Ų | 153 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -120.5 | 113.5 | 165.4 | -102.1 | 41.5 | 0 | 0 | 0 | 110.8 | ||||
| 313 | E | 32.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -110.8 | 114.1 | 173.8 | 172 | 178.4 | -127.4 | 0 | 0 | 105.3 | ||||
| 314 | E | 30 | Very low | 32.1 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -137.9 | 122.6 | 167.9 | -162.1 | 170.2 | -137.1 | 0 | 0 | 110 | ||||
| 315 | D | 29.6 | Very low | 32.3 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 144.6 | 177.8 | -90.9 | -51.8 | 0 | 0 | 0 | 111.6 | ||||
| 316 | A | 30.8 | Very low | 32.4 | Very low | 76 Ų | 76 | 151.7 Ų | 151.7 | 63% | 0.628 | 80% | 0.797 | S | S | * | * | 157.7 | 117.7 | 103.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 317 | R | 30.1 | Very low | 32.4 | Very low | 234 Ų | 234 | 151.7 Ų | 151.7 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | 70 | 154.6 | 146.1 | -55.6 | 170.7 | -172.6 | -158.5 | 0.5 | 116.4 | ||||
| 318 | T | 28.9 | Very low | 32.5 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -149.6 | 166.2 | 5.7 | -15.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 319 | E | 31.7 | Very low | 32.4 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | 5.2 | 133.9 | 140.8 | -70.3 | 161.8 | -173.1 | 0 | 0 | 118.2 | ||||
| 320 | E | 32.6 | Very low | 32.4 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | cis | -140.8 | -168.4 | -4.6 | -61.7 | -156.6 | 84.4 | 0 | 0 | 108.1 | ||||
| 321 | A | 32.1 | Very low | 32.4 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | cis | -157.9 | -178.7 | 10 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 322 | D | 32.5 | Very low | 32.2 | Very low | 138 Ų | 138 | 153.9 Ų | 153.9 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | trans | -136.3 | 119.1 | 169.3 | 172.2 | 30.7 | 0 | 0 | 0 | 111.8 | ||||
| 323 | Q | 32.3 | Very low | 31.8 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -177.6 | 123.6 | 158.1 | -106.9 | 145.4 | 76.2 | 0 | 0 | 110.5 | ||||
| 324 | G | 30.9 | Very low | 31.8 | Very low | 75 Ų | 75 | 152.7 Ų | 152.7 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 173.6 | 5.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 325 | V | 40.6 | Very low | 32.3 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -125.6 | 67.7 | -175.9 | -77.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 326 | Q | 36.3 | Very low | 32.1 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -163.4 | 54.1 | 173.6 | -134 | 158.5 | 112.5 | 0 | 0 | 116.1 | ||||
| 327 | D | 33.8 | Very low | 32 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -152.2 | 58 | 176.5 | -146.1 | 4.4 | 0 | 0 | 0 | 117.3 | ||||
| 328 | I | 36.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -141.1 | 28.2 | 162.5 | -30.9 | 176 | 0 | 0 | 0 | 112.4 | ||
| 329 | L | 33.5 | Very low | 31.8 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -147.5 | 86.8 | 176.6 | -78 | 180 | 0 | 0 | 0 | 112.4 | ||||
| 330 | N | 30.2 | Very low | 31.7 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | 176.8 | 136.9 | 132.8 | -88.9 | -26.5 | 0 | 0 | 0 | 110.7 | ||||
| 331 | G | 28.5 | Very low | 31.4 | Very low | 86 Ų | 86 | 140 Ų | 140 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 171.5 | 59.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 332 | Q | 28.7 | Very low | 31.3 | Very low | 166 Ų | 166 | 145.5 Ų | 145.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -117.3 | 151.3 | -179.8 | -176.5 | 176.8 | -72.4 | 0 | 0 | 111.9 | ||||
| 333 | E | 26.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | trans | 71.3 | 112 | 169.4 | -83.2 | 160.3 | 114.2 | 0 | 0 | 117.3 | ||||
| 334 | K | 32 | Very low | 31.7 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | 71.3 | 152.3 | 81.8 | -94.6 | -161.2 | 171.8 | -165.7 | 0 | 114.3 | |||||
| 335 | P | 40.9 | Very low | 31.8 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | cis | -124.4 | -155.5 | 30.9 | 37.8 | -16.6 | 0 | 0 | 0 | 113.2 | ||||
| 336 | E | 25.2 | Very low | 31.4 | Very low | 153 Ų | 153 | 153 Ų | 153 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | cis | -151.2 | -108.5 | 9.9 | -161.3 | 61 | -76.3 | 0 | 0 | 114.2 | ||||
| 337 | E | 27.9 | Very low | 31.8 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -115.5 | 169.5 | -165.8 | -78.4 | 177.5 | 138.2 | 0 | 0 | 112.9 | ||||
| 338 | T | 27.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | cis | -162.1 | 154 | 35.1 | -19.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 339 | A | 28 | Very low | 31.8 | Very low | 79 Ų | 79 | 150.8 Ų | 150.8 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | trans | 61.3 | 132.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 340 | N | 28.7 | Very low | 31.7 | Very low | 173 Ų | 173 | 153.6 Ų | 153.6 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | 64.7 | 150.2 | 157.2 | -61 | -18.9 | 0 | 0 | 0 | 118.7 | ||||
| 341 | G | 27.4 | Very low | 32 | Very low | 65 Ų | 65 | 152.5 Ų | 152.5 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | cis | 161.3 | 146.7 | -9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 342 | Q | 29.4 | Very low | 32.3 | Very low | 209 Ų | 209 | 151.4 Ų | 151.4 | 98% | 0.977 | 79% | 0.786 | S | S | * | * | trans | 74.2 | 172.6 | 175.1 | -64.5 | 172.3 | -110.7 | 0 | 0 | 117.6 | ||||
| 343 | R | 29.6 | Very low | 32.6 | Very low | 230 Ų | 230 | 151.6 Ų | 151.6 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -162.3 | 172.7 | -154.5 | -167.6 | -145.4 | 173.7 | -125.5 | 2.4 | 107.5 | ||||
| 344 | P | 43.7 | Very low | 33.2 | Very low | 88 Ų | 88 | 152.8 Ų | 152.8 | 57% | 0.571 | 80% | 0.798 | S | S | * | * | -97.1 | 165.1 | -84.8 | 38.7 | -24.5 | 0 | 0 | 0 | 112.2 | |||||
| 345 | E | 32.3 | Very low | 33.3 | Very low | 199 Ų | 199 | 153.7 Ų | 153.7 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -133.7 | 162.4 | 156.6 | -70.9 | -166.2 | 139 | 0 | 0 | 110.7 | ||||
| 346 | E | 33.6 | Very low | 33 | Very low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94 | 168.5 | -166.8 | -81.6 | 178.3 | 153.2 | 0 | 0 | 112.3 | ||
| 347 | P | 43.1 | Very low | 33.4 | Very low | 125 Ų | 125 | 154 Ų | 154 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 128.1 | -172.2 | 31.9 | -33.8 | 0 | 0 | 0 | 113 | ||
| 348 | D | 35.3 | Very low | 33.5 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 131 | 162.2 | -84.4 | -41.9 | 0 | 0 | 0 | 110.4 | ||
| 349 | E | 35.7 | Very low | 33.7 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 139.5 | 170.5 | -56.9 | 173.5 | 135.5 | 0 | 0 | 110 | ||
| 350 | Y | 32.6 | Very low | 33.8 | Very low | 218 Ų | 218 | 152.6 Ų | 152.6 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -164.4 | 153.9 | 135.7 | -131.1 | -94 | 0 | 0 | 0 | 114.3 | ||||
| 351 | D | 35.5 | Very low | 33.9 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -67.6 | 166.8 | 170.9 | -71.2 | -62.2 | 0 | 0 | 0 | 113.6 | ||||
| 352 | G | 33.8 | Very low | 34.7 | Very low | 63 Ų | 63 | 154 Ų | 154 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | 156.4 | 79.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 353 | D | 35 | Very low | 35.5 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | 67 | 167.6 | 140.2 | -56.2 | -21.3 | 0 | 0 | 0 | 122.2 | ||||
| 354 | E | 39.1 | Very low | 36.1 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -76.1 | 142.3 | -164.6 | -56.8 | 172.1 | 107.2 | 0 | 0 | 114.5 | ||||
| 355 | Q | 34.3 | Very low | 35.9 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -130.1 | 106.4 | 147.3 | -79.7 | -172.9 | 58.2 | 0 | 0 | 110.9 | ||||
| 356 | V | 36 | Very low | 36.3 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -88.6 | 124.5 | 160.4 | 176.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 357 | V | 32.1 | Very low | 36.7 | Very low | 133 Ų | 133 | 152.5 Ų | 152.5 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -166.8 | 114.4 | 141.2 | 148.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 358 | D | 30.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 152 Ų | 152 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | 31.5 | 124.3 | 138.5 | -146.3 | 4.7 | 0 | 0 | 0 | 120.7 | ||||
| 359 | G | 31 | Very low | 37.1 | Very low | 76 Ų | 76 | 150.5 Ų | 150.5 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | -175.8 | 80.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | V | 31 | Very low | 37.4 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -68 | 129.4 | -175 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | L362 | V360-L362 HydrophobicContact CG1-CD1 4.27Å; V360-L362 HydrophobicContact CG1-CG 4.25Å | ||
| 361 | D | 31.7 | Very low | 38.2 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -140.8 | 139 | 153.9 | -157.6 | -8.9 | 0 | 0 | 0 | 110.5 | ||||
| 362 | L | 43 | Very low | 38.7 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | -109.4 | 10.1 | -156.6 | -102.6 | 163.2 | 0 | 0 | 0 | 114.7 | V360 | V360-L362 HydrophobicContact CG1-CD1 4.27Å; V360-L362 HydrophobicContact CG1-CG 4.25Å | ||
| 363 | E | 46.8 | Very low | 39.3 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -88.9 | -10.5 | -176.4 | -64.1 | -159.5 | 132.9 | 0 | 0 | 115.5 | ||
| 364 | K | 41 | Very low | 39.9 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -79.4 | -24.2 | -175.9 | -98.8 | -178.8 | 178.1 | 174.7 | 0 | 115.4 | Q366 R367 | K364-Q366 PolarHBondContact O-N 3.27Å; K364-R367 PolarHBondContact O-N 2.85Å |
| 365 | E | 39.2 | Very low | 40.6 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -20.1 | -171.3 | -154.6 | -174.9 | 139.7 | 0 | 0 | 113.4 | ||
| 366 | Q | 41 | Very low | 41.5 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -7.8 | -177.7 | -151.1 | 164.7 | 9 | 0 | 0 | 114 | K364 | K364-Q366 PolarHBondContact O-N 3.27Š|
| 367 | R | 42.8 | Very low | 42.3 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -25.8 | -179.8 | -166.6 | 167.2 | -178.7 | 157.8 | 1.2 | 114.6 | K364 | K364-R367 PolarHBondContact O-N 2.85Š|
| 368 | N | 43.7 | Very low | 43 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -79.3 | -17.9 | -176.4 | -79 | 17.8 | 0 | 0 | 0 | 114.4 | N370 T371 | N368-N370 PolarHBondContact O-N 2.84Å; N368-T371 PolarHBondContact O-N 2.86Å; N368-T371 PolarHBondContact O-OG1 3.07Å |
| 369 | K | 42.9 | Very low | 44 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 59% | 0.591 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -70.2 | -19.2 | -177.6 | -71.3 | 179.6 | 179 | 168 | 0 | 113.8 | T371 | K369-T371 VanDerWaalsContact C-N 3.32Š|
| 370 | N | 43 | Very low | 44.9 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -92.3 | 12.3 | 178.6 | -66.7 | 39.3 | 0 | 0 | 0 | 113.1 | N368 | N368-N370 PolarHBondContact O-N 2.84Š|
| 371 | T | 47.5 | Very low | 45.7 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 57% | 0.571 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -121.7 | 0.6 | 179.2 | 37.3 | 0 | 0 | 0 | 0 | 114.4 | N368 K369 | N368-T371 PolarHBondContact O-N 2.86Å; N368-T371 PolarHBondContact O-OG1 3.07Å; K369-T371 VanDerWaalsContact C-N 3.32Å |
| 372 | E | 46.2 | Very low | 46.8 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -102.4 | -10.3 | 174.1 | -66.9 | -176.7 | 126.8 | 0 | 0 | 113 | ||
| 373 | E | 48.2 | Very low | 47.2 | Very low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -91.4 | -6.8 | -175.5 | -153.9 | 163.7 | -137.6 | 0 | 0 | 113.8 | ||
| 374 | E | 47.3 | Very low | 47.5 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -106.4 | 39.8 | 175 | -157.9 | -177.9 | 179.5 | 0 | 0 | 111.9 | ||
| 375 | M | 53.2 | Low | 48.3 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -140.6 | 33.3 | -174.5 | -141 | -177.8 | -56.7 | 0 | 0 | 115.1 | ||||
| 376 | A | 52.6 | Low | 49 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -152.4 | 76.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 377 | D | 53.8 | Low | 49.8 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -152.1 | 31.9 | 152.2 | -148.2 | 7.5 | 0 | 0 | 0 | 114.2 | N379 | D377-N379 PolarHBondContact O-N 3.31Å; D377-N379 PolarHBondContact OD1-ND2 3.37Å | ||
| 378 | Y | 46.4 | Very low | 50.3 | Low | 220 Ų | 220 | 142.7 Ų | 142.7 | 86% | 0.863 | 74% | 0.742 | S | S | * | * | trans | -86.6 | 83.7 | 165.8 | -165.1 | -94.9 | 0 | 0 | 0 | 109.1 | G380 | Y378-G380 PolarHBondContact O-N 2.96Š| ||
| 379 | N | 52.1 | Low | 51.1 | Low | 128 Ų | 128 | 144.4 Ų | 144.4 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | -65.7 | 106.4 | 170.2 | -67.8 | -71.5 | 0 | 0 | 0 | 108.3 | D377 D381 | D377-N379 PolarHBondContact O-N 3.31Å; D377-N379 PolarHBondContact OD1-ND2 3.37Å; N379-D381 VanDerWaalsContact C-N 3.28Å; N379-D381 PolarHBondContact O-N 3.46Å | ||
| 380 | G | 50.4 | Low | 51.9 | Low | 56 Ų | 56 | 141.1 Ų | 141.1 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 80.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y378 D382 | Y378-G380 PolarHBondContact O-N 2.96Å; G380-D382 PolarHBondContact O-N 3.35Å | ||
| 381 | D | 46.1 | Very low | 52.7 | Low | 122 Ų | 122 | 140.1 Ų | 140.1 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 93.4 | 170.8 | -157.3 | -4.8 | 0 | 0 | 0 | 108.8 | N379 E383 N384 | N379-D381 VanDerWaalsContact C-N 3.28Å; N379-D381 PolarHBondContact O-N 3.46Å; D381-E383 PolarHBondContact O-N 3Å; D381-N384 PolarHBondContact O-N 3.47Å | ||
| 382 | D | 55.7 | Low | 53.3 | Low | 163 Ų | 163 | 142.6 Ų | 142.6 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -3 | -175.7 | -82.1 | -29 | 0 | 0 | 0 | 113.4 | G380 N384 | G380-D382 PolarHBondContact O-N 3.35Å; D382-N384 VanDerWaalsContact C-N 3.3Å; D382-N384 PolarHBondContact O-N 3.34Å |
| 383 | E | 51.5 | Low | 54 | Low | 176 Ų | 176 | 141.3 Ų | 141.3 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -6.8 | 174.9 | -64.3 | -162.7 | 173 | 0 | 0 | 114.2 | D381 E385 | D381-E383 PolarHBondContact O-N 3Å; E383-E385 PolarHBondContact O-N 2.93Å |
| 384 | N | 52.8 | Low | 54.7 | Low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -76.2 | 66.2 | 173.1 | -169.4 | 96.7 | 0 | 0 | 0 | 111.8 | D381 D382 G386 | D381-N384 PolarHBondContact O-N 3.47Å; D382-N384 VanDerWaalsContact C-N 3.3Å; D382-N384 PolarHBondContact O-N 3.34Å; N384-G386 PolarHBondContact O-N 3.38Å | ||
| 385 | E | 57 | Low | 55.3 | Low | 175 Ų | 175 | 129.2 Ų | 129.2 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -60.8 | 127.6 | 162.5 | -71.7 | -164.4 | -180 | 0 | 0 | 109.5 | E383 E387 | E383-E385 PolarHBondContact O-N 2.93Å; E385-E387 PolarHBondContact O-N 3.5Å | ||
| 386 | G | 55 | Low | 55.5 | Low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | trans | -72.3 | 91.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N384 F388 | N384-G386 PolarHBondContact O-N 3.38Å; G386-F388 PolarHBondContact O-N 3.26Å | ||
| 387 | E | 57.3 | Low | 55.9 | Low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | trans | -49.7 | 121.8 | 169.7 | -72.3 | -174.3 | -162.7 | 0 | 0 | 110.4 | E385 E389 | E385-E387 PolarHBondContact O-N 3.5Å; E387-E389 PolarHBondContact O-N 3.23Å | ||
| 388 | F | 54.7 | Low | 56 | Low | 173 Ų | 173 | 130 Ų | 130 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | trans | -66.2 | 125.4 | 179.2 | -89.8 | -100.7 | 0 | 0 | 0 | 110 | G386 A390 D391 | G386-F388 PolarHBondContact O-N 3.26Å; F388-A390 PolarHBondContact O-N 2.98Å; F388-D391 PolarHBondContact O-N 2.89Å | ||
| 389 | E | 60.2 | Low | 56 | Low | 150 Ų | 150 | 129.9 Ų | 129.9 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -58 | -15 | -172.5 | -167.6 | 167.1 | -155 | 0 | 0 | 114.4 | E387 Q393 | E387-E389 PolarHBondContact O-N 3.23Å; E389-Q393 PolarHBondContact O-N 3.14Å |
| 390 | A | 59.1 | Low | 56.2 | Low | 67 Ų | 67 | 130 Ų | 130 | 55% | 0.554 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -61.8 | -42.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F388 K392 Q393 A394 | F388-A390 PolarHBondContact O-N 2.98Å; A390-K392 VanDerWaalsContact C-N 3.34Å; A390-K392 PolarHBondContact O-N 3.33Å; A390-Q393 PolarHBondContact O-N 3.05Å; A390-A394 PolarHBondContact O-N 2.97Å |
| 391 | D | 59.5 | Low | 56.5 | Low | 117 Ų | 117 | 133.8 Ų | 133.8 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -72.2 | -32.7 | -175.3 | -70.7 | -32.7 | 0 | 0 | 0 | 111.5 | F388 Q393 A394 A395 | F388-D391 PolarHBondContact O-N 2.89Å; D391-Q393 VanDerWaalsContact C-N 3.28Å; D391-Q393 PolarHBondContact O-N 3.01Å; D391-A394 WeakPolarHBondContact O-CB 3.46Å; D391-A394 PolarHBondContact O-N 3.46Å; D391-A394 VanDerWaalsContact O-N 3.15Å; D391-A395 PolarHBondContact O-N 2.82Å |
| 392 | K | 61.2 | Low | 57.1 | Low | 145 Ų | 145 | 134.5 Ų | 134.5 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -62.9 | -33.1 | 171.5 | -165.7 | 171 | -172 | 169.1 | 0 | 112.7 | A390 | A390-K392 VanDerWaalsContact C-N 3.34Å; A390-K392 PolarHBondContact O-N 3.33Å |
| 393 | Q | 59.6 | Low | 57.2 | Low | 133 Ų | 133 | 132.8 Ų | 132.8 | 62% | 0.621 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -76.7 | -32.2 | 173 | -66.1 | -175.7 | 27.2 | 0 | 0 | 112.3 | E389 A390 D391 L396 A397 | E389-Q393 PolarHBondContact O-N 3.14Å; A390-Q393 PolarHBondContact O-N 3.05Å; D391-Q393 VanDerWaalsContact C-N 3.28Å; D391-Q393 PolarHBondContact O-N 3.01Å; Q393-L396 PolarHBondContact O-N 3.49Å; Q393-A397 PolarHBondContact O-N 2.94Å |
| 394 | A | 63.8 | Low | 57.6 | Low | 57 Ų | 57 | 130.1 Ų | 130.1 | 47% | 0.471 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -64 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A390 D391 L396 A397 | A390-A394 PolarHBondContact O-N 2.97Å; D391-A394 WeakPolarHBondContact O-CB 3.46Å; D391-A394 PolarHBondContact O-N 3.46Å; D391-A394 VanDerWaalsContact O-N 3.15Å; A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.99Å; A394-A397 PolarHBondContact O-N 2.95Å |
| 395 | A | 59.7 | Low | 57.9 | Low | 64 Ų | 64 | 129.2 Ų | 129.2 | 53% | 0.529 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -63.8 | -32 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D391 A397 | D391-A395 PolarHBondContact O-N 2.82Å; A395-A397 VanDerWaalsContact C-N 3.32Å |
| 396 | L | 58 | Low | 57.9 | Low | 142 Ų | 142 | 125.9 Ų | 125.9 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.7 | -13 | 176.7 | -75.5 | 166.3 | 0 | 0 | 0 | 113.6 | Q393 A394 Q398 | Q393-L396 PolarHBondContact O-N 3.49Å; A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.99Å; L396-Q398 VanDerWaalsContact C-N 3.34Å |
| 397 | A | 60.5 | Low | 58.2 | Low | 86 Ų | 86 | 130.8 Ų | 130.8 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 7.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q393 A394 A395 | Q393-A397 PolarHBondContact O-N 2.94Å; A394-A397 PolarHBondContact O-N 2.95Å; A395-A397 VanDerWaalsContact C-N 3.32Å |
| 398 | Q | 56.3 | Low | 58.2 | Low | 180 Ų | 180 | 127.5 Ų | 127.5 | 84% | 0.841 | 70% | 0.695 | S | S | * | * | trans | -132.4 | 15.9 | -170.9 | -136.6 | 174.3 | 80.2 | 0 | 0 | 115.3 | L396 | L396-Q398 VanDerWaalsContact C-N 3.34Š| ||
| 399 | N | 46.3 | Very low | 58.6 | Low | 216 Ų | 216 | 123.4 Ų | 123.4 | 100% | 1.155 | 69% | 0.689 | S | S | * | * | trans | -114.4 | 0 | 167.2 | -77.1 | -77.4 | 0 | 0 | 0 | 110.7 |
Retrieved 399 of 399 residues in 436 ms
(Link to these results)