| 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 | 56.6 | Low | 58.7 | Low | 228 Ų | 228 | 127.6 Ų | 127.6 | 100% | 1.123 | 68% | 0.68 | S | S | * | * | 0 | -28.2 | 0 | -72.6 | -75 | -129.1 | 0 | 0 | 114.1 | |||||
| 2 | A | 56.2 | Low | 59.3 | Low | 80 Ų | 80 | 126.3 Ų | 126.3 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | trans | -66.5 | -43.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | K4 R5 | A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.84Å; A2-K4 VanDerWaalsContact O-N 3.11Å; A2-R5 PolarHBondContact O-N 3.06Å | ||
| 3 | S | 52.8 | Low | 59.4 | Low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -56.7 | -32.3 | -172.8 | 167.7 | 0 | 0 | 0 | 0 | 114.8 | R5 V6 | S3-R5 VanDerWaalsContact C-N 3.29Å; S3-R5 PolarHBondContact O-N 2.75Å; S3-V6 PolarHBondContact O-N 3.15Å |
| 4 | K | 54.3 | Low | 59.6 | Low | 187 Ų | 187 | 124.1 Ų | 124.1 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.8 | -19.4 | 179.8 | -68.4 | -170.8 | 176.5 | -174.1 | 0 | 114.4 | A2 | A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.84Å; A2-K4 VanDerWaalsContact O-N 3.11Å |
| 5 | R | 57 | Low | 59.8 | Low | 203 Ų | 203 | 121.3 Ų | 121.3 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -88.4 | -29.4 | 178.9 | -69 | -169.4 | 176.3 | -169.4 | -1.2 | 113 | A2 S3 L8 F9 | A2-R5 PolarHBondContact O-N 3.06Å; S3-R5 VanDerWaalsContact C-N 3.29Å; S3-R5 PolarHBondContact O-N 2.75Å; R5-L8 PolarHBondContact O-N 3.35Å; R5-F9 PolarHBondContact O-N 2.98Å |
| 6 | V | 58.4 | Low | 59.7 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 58% | 0.582 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.7 | -46.5 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | S3 L8 F9 V10 | S3-V6 PolarHBondContact O-N 3.15Å; V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 2.81Å; V6-F9 PolarHBondContact O-N 2.93Å; V6-F9 VanDerWaalsContact O-N 3.14Å; V6-V10 PolarHBondContact O-N 2.97Å; V6-V10 VanDerWaalsContact O-N 3.14Å |
| 7 | G | 58.4 | Low | 59.4 | Low | 42 Ų | 42 | 118.9 Ų | 118.9 | 43% | 0.433 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -60.3 | -35 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L11 | G7-L11 PolarHBondContact O-N 3.08Å |
| 8 | L | 61.4 | Low | 59.1 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68 | -38.1 | 176.2 | -160.7 | 83.5 | 0 | 0 | 0 | 112 | R5 V6 L11 L12 | R5-L8 PolarHBondContact O-N 3.35Å; V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 3Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 PolarHBondContact O-N 2.88Å |
| 9 | F | 61.3 | Low | 59 | Low | 142 Ų | 142 | 117.1 Ų | 117.1 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68 | -41.2 | 179 | -117.5 | -92.7 | 0 | 0 | 0 | 112.5 | R5 V6 L12 Q13 | R5-F9 PolarHBondContact O-N 2.98Å; V6-F9 PolarHBondContact O-N 2.93Å; V6-F9 VanDerWaalsContact O-N 3.14Å; F9-L12 PolarHBondContact O-N 3.38Å; F9-Q13 PolarHBondContact O-N 3.38Å |
| 10 | V | 67.7 | Low | 58.7 | Low | 77 Ų | 77 | 116.3 Ų | 116.3 | 47% | 0.467 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.3 | -40.1 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | V6 L12 Q13 L14 | V6-V10 PolarHBondContact O-N 2.97Å; V6-V10 VanDerWaalsContact O-N 3.14Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-Q13 PolarHBondContact O-N 2.86Å; V10-L14 HydrophobicContact CG1-CD1 4.29Å; V10-L14 PolarHBondContact O-N 3.42Å |
| 11 | L | 62.2 | Low | 58.1 | Low | 115 Ų | 115 | 115 Ų | 115 | 60% | 0.602 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.2 | -37.7 | 175.2 | -123 | 153.3 | 0 | 0 | 0 | 112 | G7 L8 L14 V15 | G7-L11 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.16Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.2Å; L11-V15 VanDerWaalsContact O-N 3.14Å |
| 12 | L | 65.1 | Low | 57.6 | Low | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.7 | -43.2 | 175.1 | -154.9 | 80.8 | 0 | 0 | 0 | 111.8 | L8 F9 V10 V15 V16 | L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 PolarHBondContact O-N 2.88Å; F9-L12 PolarHBondContact O-N 3.38Å; V10-L12 VanDerWaalsContact C-N 3.34Å; L12-V15 PolarHBondContact O-N 3.32Å; L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.58Å |
| 13 | Q | 60.7 | Low | 57.2 | Low | 124 Ų | 124 | 113.8 Ų | 113.8 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -40 | 176.4 | -76.8 | -173.3 | -19.2 | 0 | 0 | 112.6 | F9 V10 V15 V16 L17 | F9-Q13 PolarHBondContact O-N 3.38Å; V10-Q13 PolarHBondContact O-N 2.86Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 2.82Å; Q13-V16 PolarHBondContact O-N 2.95Å; Q13-L17 WeakPolarHBondContact O-CD1 3.24Å; Q13-L17 PolarHBondContact O-N 3.26Å |
| 14 | L | 62.6 | Low | 57 | Low | 98 Ų | 98 | 114.1 Ų | 114.1 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65 | -33.5 | 175.3 | -82.3 | 165.5 | 0 | 0 | 0 | 113.1 | V10 L11 N18 | V10-L14 HydrophobicContact CG1-CD1 4.29Å; V10-L14 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.16Å; L14-N18 PolarHBondContact O-N 3.49Å; L14-N18 PolarHBondContact O-ND2 3.47Å |
| 15 | V | 62.5 | Low | 56.3 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.9 | -43.3 | 173.4 | 171.2 | 0 | 0 | 0 | 0 | 111 | L11 L12 Q13 N18 V19 | L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.2Å; L11-V15 VanDerWaalsContact O-N 3.14Å; L12-V15 PolarHBondContact O-N 3.32Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 2.82Å; V15-N18 PolarHBondContact O-N 3.02Å; V15-V19 HydrophobicContact CG1-CG2 4.5Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.44Å; V15-V19 VanDerWaalsContact O-N 3.1Å |
| 16 | V | 58.8 | Low | 55.5 | Low | 86 Ų | 86 | 109.6 Ų | 109.6 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.9 | -42.1 | 178.3 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | L12 Q13 N18 V19 V20 | L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.58Å; Q13-V16 PolarHBondContact O-N 2.95Å; V16-N18 PolarHBondContact O-N 3.41Å; V16-V19 PolarHBondContact O-N 3.06Å; V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 3.13Å |
| 17 | L | 53.3 | Low | 54.7 | Low | 115 Ų | 115 | 110.7 Ų | 110.7 | 60% | 0.602 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.4 | -45.5 | 174.6 | -100.8 | 81.1 | 0 | 0 | 0 | 112.2 | Q13 V19 V20 S21 | Q13-L17 WeakPolarHBondContact O-CD1 3.24Å; Q13-L17 PolarHBondContact O-N 3.26Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 2.9Å; L17-V20 PolarHBondContact O-N 2.94Å; L17-S21 PolarHBondContact O-N 3.32Å; L17-S21 PolarHBondContact O-OG 3.3Å |
| 18 | N | 54.4 | Low | 54 | Low | 98 Ų | 98 | 114.9 Ų | 114.9 | 52% | 0.524 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.4 | -29.3 | -177.8 | -83.4 | -80.8 | 0 | 0 | 0 | 113.7 | L14 V15 V16 | L14-N18 PolarHBondContact O-N 3.49Å; L14-N18 PolarHBondContact O-ND2 3.47Å; V15-N18 PolarHBondContact O-N 3.02Å; V16-N18 PolarHBondContact O-N 3.41Å |
| 19 | V | 57.7 | Low | 52.9 | Low | 106 Ų | 106 | 114.7 Ų | 114.7 | 64% | 0.642 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73 | -35.6 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | V15 V16 L17 | V15-V19 HydrophobicContact CG1-CG2 4.5Å; V15-V19 WeakPolarHBondContact O-CG2 3.4Å; V15-V19 PolarHBondContact O-N 3.44Å; V15-V19 VanDerWaalsContact O-N 3.1Å; V16-V19 PolarHBondContact O-N 3.06Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 2.9Å |
| 20 | V | 52.6 | Low | 51.6 | Low | 101 Ų | 101 | 114.6 Ų | 114.6 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76 | -31.3 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | V16 L17 Q22 T23 | V16-V20 WeakPolarHBondContact O-CG2 3.43Å; V16-V20 PolarHBondContact O-N 3.13Å; L17-V20 PolarHBondContact O-N 2.94Å; V20-Q22 VanDerWaalsContact C-N 3.27Å; V20-Q22 PolarHBondContact O-N 2.85Å; V20-T23 PolarHBondContact O-OG1 2.82Å |
| 21 | S | 47.5 | Very low | 50.2 | Low | 88 Ų | 88 | 115.6 Ų | 115.6 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 5.3 | -177.5 | -59.7 | 0 | 0 | 0 | 0 | 116.2 | L17 | L17-S21 PolarHBondContact O-N 3.32Å; L17-S21 PolarHBondContact O-OG 3.3Å |
| 22 | Q | 45.7 | Very low | 48.9 | Very low | 162 Ų | 162 | 115.5 Ų | 115.5 | 76% | 0.757 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 3.2 | 178.8 | -67.8 | -166.8 | 7 | 0 | 0 | 115.1 | V20 S24 | V20-Q22 VanDerWaalsContact C-N 3.27Å; V20-Q22 PolarHBondContact O-N 2.85Å; Q22-S24 PolarHBondContact O-N 3.37Å |
| 23 | T | 47.9 | Very low | 47.5 | Very low | 122 Ų | 122 | 114.2 Ų | 114.2 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -96.7 | 56.8 | 178.3 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | V20 | V20-T23 PolarHBondContact O-OG1 2.82Š| ||
| 24 | S | 48.4 | Very low | 46.4 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | -152.8 | 62.6 | 169.2 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | Q22 | Q22-S24 PolarHBondContact O-N 3.37Š| ||
| 25 | A | 39.2 | Very low | 45 | Very low | 91 Ų | 91 | 118 Ų | 118 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -124 | 128.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | F | 40.6 | Very low | 44.1 | Very low | 204 Ų | 204 | 122.5 Ų | 122.5 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 138.3 | 179.4 | -76.6 | -94.2 | 0 | 0 | 0 | 111.7 | ||
| 27 | P | 40.7 | Very low | 43.3 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 120.4 | 171.5 | 31.8 | -31.3 | 0 | 0 | 0 | 111.4 | ||
| 28 | T | 43.3 | Very low | 43.2 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 128.5 | 167.1 | -40.7 | 0 | 0 | 0 | 0 | 109.9 | T30 | T28-T30 PolarHBondContact O-N 3.22Š|
| 29 | P | 39.1 | Very low | 42.4 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -83.2 | 113.3 | 177.9 | 31 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 30 | T | 33.7 | Very low | 41.7 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -81.6 | 141.3 | 167 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | T28 | T28-T30 PolarHBondContact O-N 3.22Š| ||
| 31 | A | 39.2 | Very low | 41.4 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -90.5 | 134 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 32 | S | 33.5 | Very low | 41.3 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -172.9 | 107.7 | 152.1 | 55.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 33 | A | 35.7 | Very low | 41.3 | Very low | 85 Ų | 85 | 145.2 Ų | 145.2 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | 92.5 | 116.9 | 79.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 34 | D | 37.5 | Very low | 41.3 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 62.4 | 138.9 | 168.1 | -48.8 | -24.6 | 0 | 0 | 0 | 117.7 | ||||
| 35 | D | 33.8 | Very low | 41.3 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | cis | -150.5 | 133.5 | 4.1 | -159.6 | 9.9 | 0 | 0 | 0 | 112.4 | ||||
| 36 | K | 44.1 | Very low | 41.8 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | 43.8 | 88.5 | 147.4 | -159.4 | 177 | -163.7 | 172.4 | 0 | 122.6 | ||||
| 37 | T | 41.3 | Very low | 42.7 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | trans | -139.7 | 110.4 | 130.6 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 38 | V | 51 | Low | 43.8 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -103.5 | 105.4 | -179 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 39 | Y | 38.1 | Very low | 44.1 | Very low | 218 Ų | 218 | 149.1 Ų | 149.1 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -171.2 | 145.4 | 146.8 | -89.8 | -65.5 | 0 | 0 | 0 | 107.4 | ||
| 40 | N | 43 | Very low | 44.9 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 76.8 | 54.5 | -179.6 | -49.1 | -48.4 | 0 | 0 | 0 | 118.3 | ||
| 41 | R | 45.5 | Very low | 46 | Very low | 214 Ų | 214 | 148.9 Ų | 148.9 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -147.7 | 65.3 | 159 | -162.8 | -172.2 | 168.4 | -163 | -9.2 | 113.6 | E45 | R41-E45 IonicContact NH2-OE1 2.87Š| ||
| 42 | Q | 45.8 | Very low | 46.8 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -160.2 | 98.4 | 168.6 | -109.7 | 163.6 | 6.8 | 0 | 0 | 109 | ||||
| 43 | L | 46.6 | Very low | 47.9 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -172 | 4.1 | 165.3 | -108.5 | 162.4 | 0 | 0 | 0 | 114.9 | ||
| 44 | T | 47.1 | Very low | 49 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -138.8 | 29.6 | -171.6 | 34.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 45 | E | 48 | Very low | 49.9 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -127.8 | 102.4 | 168.3 | -71.9 | 179.2 | -155.1 | 0 | 0 | 109.8 | R41 | R41-E45 IonicContact NH2-OE1 2.87Š| ||
| 46 | E | 50.7 | Low | 50.8 | Low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 124.6 | 176.5 | -171.3 | -180 | -150.2 | 0 | 0 | 109.8 | ||
| 47 | R | 60.3 | Low | 51.3 | Low | 145 Ų | 145 | 139.1 Ų | 139.1 | 55% | 0.547 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 140.8 | 174.5 | -85.4 | -175.4 | 174.2 | -177.3 | -1.2 | 110.4 | L49 E51 E55 | R47-L49 PolarHBondContact O-N 3.15Å; R47-E51 VanDerWaalsContact CD-OE2 3.28Å; R47-E51 WeakPolarHBondContact CD-OE2 3.41Å; R47-E51 IonicContact CZ-OE2 3.55Å; R47-E51 IonicContact NE-OE2 2.95Å; R47-E51 PolarHBondContact NE-OE2 3.31Å; R47-E55 IonicContact NH1-OE2 3.84Å |
| 48 | P | 62.2 | Low | 51.9 | Low | 90 Ų | 90 | 135.3 Ų | 135.3 | 58% | 0.584 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.9 | 177.8 | 27.4 | -34.2 | 0 | 0 | 0 | 111.6 | Q50 E51 | P48-Q50 PolarHBondContact O-N 3.35Å; P48-E51 PolarHBondContact O-N 3.3Å |
| 49 | L | 50.5 | Low | 52.3 | Low | 123 Ų | 123 | 133.3 Ų | 133.3 | 64% | 0.644 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -45.9 | -28.8 | -176.6 | -119.9 | 160.6 | 0 | 0 | 0 | 115.2 | R47 E51 Q52 I53 | R47-L49 PolarHBondContact O-N 3.15Å; L49-E51 PolarHBondContact O-N 3.12Å; L49-Q52 PolarHBondContact O-N 2.88Å; L49-I53 HydrophobicContact CD2-CD1 4.21Å; L49-I53 HydrophobicContact CD2-CG1 4.43Å; L49-I53 WeakPolarHBondContact O-CG1 3.28Å; L49-I53 PolarHBondContact O-N 3.22Å |
| 50 | Q | 54.8 | Low | 53.1 | Low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58.3 | -32.2 | 176.7 | -156 | 83.2 | 21.9 | 0 | 0 | 113.4 | P48 | P48-Q50 PolarHBondContact O-N 3.35Å |
| 51 | E | 58.2 | Low | 53.7 | Low | 93 Ų | 93 | 124.1 Ų | 124.1 | 44% | 0.435 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -83.8 | -34.4 | -176 | -160.1 | 170.2 | -153.3 | 0 | 0 | 111.9 | R47 P48 L49 I53 A54 E55 | R47-E51 VanDerWaalsContact CD-OE2 3.28Å; R47-E51 WeakPolarHBondContact CD-OE2 3.41Å; R47-E51 IonicContact CZ-OE2 3.55Å; R47-E51 IonicContact NE-OE2 2.95Å; R47-E51 PolarHBondContact NE-OE2 3.31Å; P48-E51 PolarHBondContact O-N 3.3Å; L49-E51 PolarHBondContact O-N 3.12Å; E51-I53 PolarHBondContact O-N 3.26Å; E51-A54 PolarHBondContact O-N 2.91Å; E51-E55 PolarHBondContact O-N 2.89Å; E51-E55 VanDerWaalsContact O-N 3.11Å |
| 52 | Q | 55.8 | Low | 54.1 | Low | 112 Ų | 112 | 117 Ų | 117 | 52% | 0.523 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.5 | -36.9 | 176.1 | -69.3 | -178.7 | -14.5 | 0 | 0 | 112.7 | L49 E55 A56 | L49-Q52 PolarHBondContact O-N 2.88Å; Q52-E55 PolarHBondContact O-N 3.35Å; Q52-A56 WeakPolarHBondContact O-CB 3.35Å; Q52-A56 PolarHBondContact O-N 3.34Å |
| 53 | I | 56.5 | Low | 54.6 | Low | 108 Ų | 108 | 112 Ų | 112 | 55% | 0.554 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.6 | -38.4 | 178.3 | -60.8 | 163.9 | 0 | 0 | 0 | 110.7 | L49 E51 D57 | L49-I53 HydrophobicContact CD2-CD1 4.21Å; L49-I53 HydrophobicContact CD2-CG1 4.43Å; L49-I53 WeakPolarHBondContact O-CG1 3.28Å; L49-I53 PolarHBondContact O-N 3.22Å; E51-I53 PolarHBondContact O-N 3.26Å; I53-D57 PolarHBondContact O-N 2.83Å |
| 54 | A | 57.8 | Low | 55 | Low | 65 Ų | 65 | 110.5 Ų | 110.5 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.1 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E51 S58 | E51-A54 PolarHBondContact O-N 2.91Å; A54-S58 PolarHBondContact O-N 3.37Å |
| 55 | E | 57.6 | Low | 55 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.7 | -42.1 | 177.4 | -161.7 | 158.1 | -151 | 0 | 0 | 111.2 | R47 E51 Q52 D57 S58 V59 | R47-E55 IonicContact NH1-OE2 3.84Å; E51-E55 PolarHBondContact O-N 2.89Å; E51-E55 VanDerWaalsContact O-N 3.11Å; Q52-E55 PolarHBondContact O-N 3.35Å; E55-D57 PolarHBondContact O-N 3.48Å; E55-S58 PolarHBondContact O-N 3.39Å; E55-S58 PolarHBondContact O-OG 3.48Å; E55-V59 PolarHBondContact O-N 3.1Å |
| 56 | A | 53.3 | Low | 55.1 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.1 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q52 S58 V59 K60 | Q52-A56 WeakPolarHBondContact O-CB 3.35Å; Q52-A56 PolarHBondContact O-N 3.34Å; A56-S58 VanDerWaalsContact C-N 3.34Å; A56-V59 PolarHBondContact O-N 2.92Å; A56-K60 PolarHBondContact O-N 2.86Å |
| 57 | D | 52.6 | Low | 54.9 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.5 | -28.2 | 179 | -139.2 | 18.4 | 0 | 0 | 0 | 111.7 | I53 E55 K60 A61 | I53-D57 PolarHBondContact O-N 2.83Å; E55-D57 PolarHBondContact O-N 3.48Å; D57-K60 PolarHBondContact O-N 3Å; D57-A61 PolarHBondContact O-N 3.22Å |
| 58 | S | 55.8 | Low | 54.1 | Low | 67 Ų | 67 | 101 Ų | 101 | 47% | 0.469 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -37.3 | 173 | 83.2 | 0 | 0 | 0 | 0 | 113 | A54 E55 A56 A61 A62 | A54-S58 PolarHBondContact O-N 3.37Å; E55-S58 PolarHBondContact O-N 3.39Å; E55-S58 PolarHBondContact O-OG 3.48Å; A56-S58 VanDerWaalsContact C-N 3.34Å; S58-A61 PolarHBondContact O-N 3.13Å; S58-A62 PolarHBondContact O-N 3.08Å |
| 59 | V | 57.4 | Low | 52.7 | Low | 86 Ų | 86 | 105.7 Ų | 105.7 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.4 | -39 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | E55 A56 A61 A62 V63 | E55-V59 PolarHBondContact O-N 3.1Å; A56-V59 PolarHBondContact O-N 2.92Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.26Å; V59-A62 WeakPolarHBondContact O-CB 3.19Å; V59-A62 PolarHBondContact O-N 3.1Å; V59-V63 WeakPolarHBondContact O-CG2 3.5Å; V59-V63 PolarHBondContact O-N 3.15Å |
| 60 | K | 55.9 | Low | 52.1 | Low | 129 Ų | 129 | 108.8 Ų | 108.8 | 56% | 0.561 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.7 | -39.2 | 175.2 | -165.9 | 176.3 | -178.1 | -178.8 | 0 | 112.3 | A56 D57 Q64 | A56-K60 PolarHBondContact O-N 2.86Å; D57-K60 PolarHBondContact O-N 3Å; K60-Q64 WeakPolarHBondContact O-CG 3.47Å; K60-Q64 PolarHBondContact O-N 3.08Å; K60-Q64 VanDerWaalsContact O-N 3.15Å |
| 61 | A | 54.9 | Low | 51.2 | Low | 60 Ų | 60 | 106.5 Ų | 106.5 | 50% | 0.496 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.2 | -37 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D57 S58 V59 S65 | D57-A61 PolarHBondContact O-N 3.22Å; S58-A61 PolarHBondContact O-N 3.13Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.26Å; A61-S65 WeakPolarHBondContact O-CB 3.39Å; A61-S65 PolarHBondContact O-N 3.4Å |
| 62 | A | 55.3 | Low | 49.9 | Very low | 63 Ų | 63 | 106 Ų | 106 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.7 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S58 V59 S65 A66 | S58-A62 PolarHBondContact O-N 3.08Å; V59-A62 WeakPolarHBondContact O-CB 3.19Å; V59-A62 PolarHBondContact O-N 3.1Å; A62-S65 PolarHBondContact O-N 2.67Å; A62-A66 PolarHBondContact O-N 2.81Å; A62-A66 VanDerWaalsContact O-N 3.08Å |
| 63 | V | 55.6 | Low | 48.7 | Very low | 87 Ų | 87 | 107.3 Ų | 107.3 | 53% | 0.527 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.6 | -45.1 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | V59 S65 A66 E67 | V59-V63 WeakPolarHBondContact O-CG2 3.5Å; V59-V63 PolarHBondContact O-N 3.15Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 2.96Å; V63-A66 PolarHBondContact O-N 2.93Å; V63-E67 PolarHBondContact O-N 3.22Å |
| 64 | Q | 53.8 | Low | 47.5 | Very low | 140 Ų | 140 | 108.1 Ų | 108.1 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.7 | -26.2 | 177.2 | -70.5 | -176.3 | -2.6 | 0 | 0 | 113.6 | K60 | K60-Q64 WeakPolarHBondContact O-CG 3.47Å; K60-Q64 PolarHBondContact O-N 3.08Å; K60-Q64 VanDerWaalsContact O-N 3.15Å |
| 65 | S | 48.4 | Very low | 46.5 | Very low | 95 Ų | 95 | 113.8 Ų | 113.8 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.4 | -28 | 174.8 | -160.1 | 0 | 0 | 0 | 0 | 112.6 | A61 A62 V63 | A61-S65 WeakPolarHBondContact O-CB 3.39Å; A61-S65 PolarHBondContact O-N 3.4Å; A62-S65 PolarHBondContact O-N 2.67Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 2.96Å |
| 66 | A | 50.3 | Low | 45.3 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.4 | -28.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A62 V63 S68 | A62-A66 PolarHBondContact O-N 2.81Å; A62-A66 VanDerWaalsContact O-N 3.08Å; V63-A66 PolarHBondContact O-N 2.93Å; A66-S68 VanDerWaalsContact C-N 3.29Å; A66-S68 PolarHBondContact O-N 3.27Å |
| 67 | E | 45.8 | Very low | 44.3 | Very low | 176 Ų | 176 | 117.5 Ų | 117.5 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -4.7 | -176.5 | -153.9 | 155.4 | 137.1 | 0 | 0 | 114 | V63 | V63-E67 PolarHBondContact O-N 3.22Š|
| 68 | S | 44.3 | Very low | 43.5 | Very low | 95 Ų | 95 | 121.6 Ų | 121.6 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -113.3 | 47.3 | -175.8 | -166.1 | 0 | 0 | 0 | 0 | 113.8 | A66 | A66-S68 VanDerWaalsContact C-N 3.29Å; A66-S68 PolarHBondContact O-N 3.27Å |
| 69 | K | 32.6 | Very low | 43.1 | Very low | 189 Ų | 189 | 124.1 Ų | 124.1 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -167.7 | 99.8 | 161.9 | -112.5 | 159.2 | -174.5 | 175.8 | 0 | 114.9 | ||||
| 70 | Q | 36.6 | Very low | 42.1 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | trans | -73.9 | 146.4 | 141 | -76 | -170 | -24.1 | 0 | 0 | 108.5 | ||||
| 71 | P | 37.4 | Very low | 41.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | -149.5 | 149.4 | 90.2 | 37.9 | -20.1 | 0 | 0 | 0 | 117.5 | |||||
| 72 | A | 29.9 | Very low | 41 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | trans | 55.5 | 112.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 73 | T | 31 | Very low | 40.4 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 64.8 | 106.9 | 132.3 | 62.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 74 | S | 31 | Very low | 40.2 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | -160.8 | 155.6 | 125.1 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 75 | K | 36.8 | Very low | 40 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | -88.5 | 146.8 | -176.6 | -55.3 | 172.2 | 172.2 | -179.6 | 0 | 111.7 | ||||
| 76 | D | 31.6 | Very low | 40.3 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | 165.4 | 148.2 | 101.2 | -88.8 | -35.7 | 0 | 0 | 0 | 111.6 | |||||
| 77 | A | 33.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | trans | 69.3 | 137 | 175.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 78 | E | 35.5 | Very low | 40.6 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -93.2 | 161.7 | -174.5 | -85.4 | -173.2 | 132.5 | 0 | 0 | 114.6 | ||||
| 79 | P | 47.5 | Very low | 40.7 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -95.3 | 170.2 | 172.2 | 39.8 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 80 | E | 36.3 | Very low | 41.5 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -147.1 | 145 | 150.1 | -141.9 | 169.6 | -151.3 | 0 | 0 | 112.2 | ||||
| 81 | Q | 45.3 | Very low | 42.2 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -150.3 | 113.6 | -172 | 178.3 | -176.4 | 48.7 | 0 | 0 | 107.4 | ||||
| 82 | G | 41.8 | Very low | 42.6 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 160.4 | 163.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 83 | D | 43.4 | Very low | 43.1 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | trans | 85.5 | 38 | 155.5 | -67.7 | 16.2 | 0 | 0 | 0 | 121.7 | T86 | D83-T86 PolarHBondContact O-OG1 3.34Š| ||
| 84 | D | 50.5 | Low | 43.3 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -80 | -13.1 | 159.6 | -78.2 | -35 | 0 | 0 | 0 | 113.9 | ||
| 85 | F | 50.5 | Low | 43.4 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -87.8 | -10.1 | -176.9 | -117.2 | -89.3 | 0 | 0 | 0 | 114.7 | ||
| 86 | T | 55.2 | Low | 43.3 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 49% | 0.491 | 80% | 0.8 | S | S | . | * | S | Bend | trans | -90.8 | -15.4 | -176.5 | 35.3 | 0 | 0 | 0 | 0 | 114 | D83 | D83-T86 PolarHBondContact O-OG1 3.34Š|
| 87 | M | 51.3 | Low | 43.4 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -77.1 | -29.1 | -179.3 | -65.4 | -159.6 | -176.1 | 0 | 0 | 114.1 | K89 | M87-K89 VanDerWaalsContact C-N 3.32Å; M87-K89 PolarHBondContact O-N 3.19Å |
| 88 | L | 49.5 | Very low | 43.6 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -78.6 | -9.2 | -175.1 | -68.2 | 175.9 | 0 | 0 | 0 | 114.7 | ||
| 89 | K | 47 | Very low | 43.2 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | G | 310 helix | trans | -92.6 | -4.8 | -179 | -158.4 | 164.8 | -178.4 | 176.1 | 0 | 114 | M87 | M87-K89 VanDerWaalsContact C-N 3.32Å; M87-K89 PolarHBondContact O-N 3.19Å |
| 90 | S | 50.5 | Low | 42.5 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -102.8 | 14.6 | -165.3 | -58 | 0 | 0 | 0 | 0 | 115.5 | ||
| 91 | L | 50.3 | Low | 43 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -118 | 0.5 | -179.1 | -69.1 | 176.2 | 0 | 0 | 0 | 114.8 | ||
| 92 | A | 46 | Very low | 42.2 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -110.4 | -14.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 93 | D | 40 | Very low | 41.6 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -100.2 | 135.3 | -177.5 | -97.4 | -45.5 | 0 | 0 | 0 | 113 | ||
| 94 | G | 34.4 | Very low | 41.8 | Very low | 78 Ų | 78 | 143.8 Ų | 143.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -88.3 | 163.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 95 | Q | 34.9 | Very low | 40.8 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -144.2 | 100.1 | 172.1 | -169.7 | -176.1 | -100.3 | 0 | 0 | 112.7 | ||||
| 96 | K | 34.6 | Very low | 39.9 | Very low | 203 Ų | 203 | 141.7 Ų | 141.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -146.2 | 143.9 | 154.2 | -78.1 | -162.6 | 177.6 | 174.5 | 0 | 111.8 | ||||
| 97 | S | 32.8 | Very low | 38.9 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 77.7 | 142.4 | -178.4 | 92.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 98 | K | 37.8 | Very low | 37.9 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | cis | -166.4 | 137.6 | 3.6 | -162.8 | 179.4 | -176.4 | 178.1 | 0 | 111 | ||||
| 99 | E | 27.2 | Very low | 37 | Very low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -162.6 | 160.9 | 145.3 | -130 | 170.4 | 167.3 | 0 | 0 | 113 | ||||
| 100 | A | 33.2 | Very low | 36.5 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -140.1 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 101 | P | 46 | Very low | 35.7 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | cis | -146.8 | 174.5 | 28.9 | 43.3 | -23.1 | 0 | 0 | 0 | 118.2 | ||||
| 102 | E | 29.3 | Very low | 35 | Very low | 202 Ų | 202 | 148.8 Ų | 148.8 | 94% | 0.944 | 82% | 0.818 | S | S | * | * | trans | -175.7 | 149.6 | 137.7 | -102 | 173.6 | -163.2 | 0 | 0 | 109.2 | ||||
| 103 | G | 28.1 | Very low | 34.8 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -120 | -151.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 104 | P | 48.5 | Very low | 35.7 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -136 | -170.3 | -17.2 | 35.9 | -14.9 | 0 | 0 | 0 | 114.2 | ||||
| 105 | V | 29.3 | Very low | 35.8 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | trans | 143.1 | 120.7 | 140.4 | 168.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 106 | K | 32.7 | Very low | 35.9 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 65.2 | 119.3 | 154.2 | -75.4 | 167.6 | -171.2 | 175.6 | 0 | 121.8 | ||||
| 107 | K | 34.2 | Very low | 36.5 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 81% | 0.809 | 80% | 0.799 | S | S | * | * | 63.3 | 131 | 97.5 | -81.3 | -160.8 | 169.3 | -151.2 | 0 | 114.7 | |||||
| 108 | G | 28.7 | Very low | 36.7 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | cis | 173.5 | -176.1 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 109 | D | 31.6 | Very low | 37 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | cis | -152.9 | -141.3 | -5.8 | -76.5 | -40.8 | 0 | 0 | 0 | 108.2 | ||||
| 110 | H | 35.8 | Very low | 38.2 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -111.3 | 156.2 | -168.6 | -62.7 | -98.5 | 0 | 0 | 0 | 117.3 | ||||
| 111 | Q | 35.1 | Very low | 38.8 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -158.3 | 162.1 | 135.9 | -158.9 | 142.6 | 2.9 | 0 | 0 | 115.4 | ||||
| 112 | Y | 34.4 | Very low | 38.9 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -160.9 | 166 | -164.1 | -118.1 | -19.8 | 0 | 0 | 0 | 109.4 | ||||
| 113 | V | 41.8 | Very low | 40 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | cis | -129.9 | -65.2 | 4.3 | -164.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 114 | P | 59.5 | Low | 41.1 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -129.4 | -162.4 | -147 | 42.9 | -22.2 | 0 | 0 | 0 | 113.9 | ||||
| 115 | D | 37.1 | Very low | 41.2 | Very low | 143 Ų | 143 | 155.6 Ų | 155.6 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | cis | -161 | -167.6 | 11.6 | -140.9 | -48.5 | 0 | 0 | 0 | 112.9 | ||||
| 116 | E | 37.1 | Very low | 42.5 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | 87.7 | 112.1 | 149.6 | 83.4 | -157.6 | 149 | 0 | 0 | 124.6 | ||||
| 117 | S | 46.2 | Very low | 43.5 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -76.7 | 164.4 | -180 | -43.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 118 | D | 36.5 | Very low | 44.1 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | 173.5 | 156.2 | 106.6 | -166.2 | 30.3 | 0 | 0 | 0 | 115.6 | |||||
| 119 | S | 45.8 | Very low | 45 | Very low | 79 Ų | 79 | 158 Ų | 158 | 55% | 0.552 | 80% | 0.803 | S | S | * | * | trans | 68 | 93.7 | 147.3 | -83.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 120 | T | 51.7 | Low | 45.6 | Very low | 129 Ų | 129 | 157.1 Ų | 157.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | 31.3 | 112.1 | 114.1 | 64.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 121 | K | 46.3 | Very low | 46.5 | Very low | 209 Ų | 209 | 152 Ų | 152 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -153.9 | 121.6 | 131.1 | -146.3 | 167.9 | -172.2 | 172 | 0 | 113.9 | ||||
| 122 | S | 47.5 | Very low | 47.1 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -78.4 | 131 | 169.3 | 54.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 123 | R | 51.4 | Low | 47.8 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -147.6 | 119.9 | 140.6 | -178.8 | 169.6 | -77.3 | -154 | -3.7 | 108.7 | ||||
| 124 | R | 52.9 | Low | 48 | Very low | 237 Ų | 237 | 149.9 Ų | 149.9 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -67.5 | 130.6 | 167.8 | -67.6 | 176.3 | 169 | 98.6 | -2.1 | 108.7 | ||||
| 125 | L | 50.1 | Low | 47.4 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -119 | 139.6 | 132.3 | -80.4 | 165.1 | 0 | 0 | 0 | 105.2 | ||||
| 126 | A | 56.2 | Low | 48.1 | Very low | 82 Ų | 82 | 147.2 Ų | 147.2 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -73.7 | -178.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 127 | D | 52.9 | Low | 48.4 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | 115.8 | 22.2 | 166.4 | -50.2 | -20.8 | 0 | 0 | 0 | 116.7 | ||||
| 128 | D | 46.9 | Very low | 48.2 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | trans | -100.2 | 59.9 | 156.8 | -68.9 | -41.2 | 0 | 0 | 0 | 110.3 | D130 | D128-D130 VanDerWaalsContact C-N 3.26Å; D128-D130 PolarHBondContact O-N 3.01Å | ||
| 129 | Y | 48 | Very low | 48.8 | Very low | 205 Ų | 205 | 147.8 Ų | 147.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -87.2 | 59.8 | 174.5 | -159.2 | -97 | 0 | 0 | 0 | 111.1 | S131 | Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 WeakPolarHBondContact CD1-OG 3.49Å; Y129-S131 WeakPolarHBondContact CE1-OG 3.27Å; Y129-S131 VanDerWaalsContact CZ-OG 3.29Å; Y129-S131 PolarHBondContact O-N 2.94Å | ||
| 130 | D | 44.1 | Very low | 49.1 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 81.6 | 168.2 | -179.1 | 10.3 | 0 | 0 | 0 | 110.1 | D128 T132 | D128-D130 VanDerWaalsContact C-N 3.26Å; D128-D130 PolarHBondContact O-N 3.01Å; D130-T132 VanDerWaalsContact C-N 3.32Å; D130-T132 PolarHBondContact OD1-N 3.41Å; D130-T132 PolarHBondContact OD1-OG1 3.39Å | ||
| 131 | S | 55.3 | Low | 49.1 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 52% | 0.524 | 75% | 0.748 | S | S | . | * | trans | -95.4 | 42.1 | 172.4 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | Y129 | Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 WeakPolarHBondContact CD1-OG 3.49Å; Y129-S131 WeakPolarHBondContact CE1-OG 3.27Å; Y129-S131 VanDerWaalsContact CZ-OG 3.29Å; Y129-S131 PolarHBondContact O-N 2.94Å | ||
| 132 | T | 47.6 | Very low | 49.4 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -100.6 | 7.9 | 173.1 | 65.6 | 0 | 0 | 0 | 0 | 114 | D130 | D130-T132 VanDerWaalsContact C-N 3.32Å; D130-T132 PolarHBondContact OD1-N 3.41Å; D130-T132 PolarHBondContact OD1-OG1 3.39Å | ||
| 133 | K | 48.3 | Very low | 50 | Low | 194 Ų | 194 | 139.8 Ų | 139.8 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | trans | -110 | 61.7 | 171.2 | -69.6 | -141.2 | 175.7 | -169 | 0 | 113.9 | G135 | K133-G135 PolarHBondContact O-N 3.46Š| ||
| 134 | H | 47.6 | Very low | 50.5 | Low | 159 Ų | 159 | 129.6 Ų | 129.6 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | trans | -91.2 | 54.3 | 150.8 | -157.9 | 63.6 | 0 | 0 | 0 | 111.4 | M136 | H134-M136 WeakPolarHBondContact CE1-CG 3.13Å; H134-M136 PolarHBondContact O-N 2.92Å | ||
| 135 | G | 45.4 | Very low | 50.7 | Low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 66% | 0.66 | S | S | * | * | trans | -76.1 | 69 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110 | K133 D137 | K133-G135 PolarHBondContact O-N 3.46Å; G135-D137 PolarHBondContact O-N 3.32Å | ||
| 136 | M | 51.6 | Low | 51 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 60% | 0.596 | 63% | 0.63 | S | S | * | * | trans | -88.6 | 84.9 | 169.6 | -84.9 | -61 | -166.3 | 0 | 0 | 110 | H134 Y138 | H134-M136 WeakPolarHBondContact CE1-CG 3.13Å; H134-M136 PolarHBondContact O-N 2.92Å; M136-Y138 PolarHBondContact O-N 2.99Å; M136-Y138 HydrophobicContact SD-CD2 3.79Å; M136-Y138 HydrophobicContact SD-CE2 4.45Å | ||
| 137 | D | 44.5 | Very low | 50.8 | Low | 156 Ų | 156 | 124.4 Ų | 124.4 | 83% | 0.834 | 64% | 0.644 | S | S | * | * | trans | -67.5 | 64.2 | 156.5 | -84.9 | -37.1 | 0 | 0 | 0 | 110.1 | G135 | G135-D137 PolarHBondContact O-N 3.32Š| ||
| 138 | Y | 41.4 | Very low | 50.4 | Low | 194 Ų | 194 | 122.8 Ų | 122.8 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | trans | -140.2 | 70.9 | 165.8 | -71.7 | -73.8 | 0 | 0 | 0 | 109.5 | M136 D140 | M136-Y138 PolarHBondContact O-N 2.99Å; M136-Y138 HydrophobicContact SD-CD2 3.79Å; M136-Y138 HydrophobicContact SD-CE2 4.45Å; Y138-D140 PolarHBondContact O-N 2.91Å | ||
| 139 | D | 50.4 | Low | 50.7 | Low | 112 Ų | 112 | 117.2 Ų | 117.2 | 60% | 0.599 | 62% | 0.618 | S | S | * | * | trans | -63.2 | 80.8 | 152.7 | -100.1 | -37.8 | 0 | 0 | 0 | 108.7 | P141 K180 | D139-P141 WeakPolarHBondContact O-CD 3.19Å; D139-K180 IonicContact OD1-NZ 3.86Å; D139-K180 PolarHBondContact OD1-NZ 3.39Å; D139-K180 VanDerWaalsContact OD2-CE 3.23Å; D139-K180 WeakPolarHBondContact OD2-CE 3.41Å; D139-K180 IonicContact OD2-NZ 2.73Å; D139-K180 PolarHBondContact OD2-NZ 2.98Å | ||
| 140 | D | 51.9 | Low | 51.3 | Low | 88 Ų | 88 | 110.5 Ų | 110.5 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | trans | -61 | 116 | -175.7 | 177.4 | 18.3 | 0 | 0 | 0 | 110.8 | Y138 E142 S143 | Y138-D140 PolarHBondContact O-N 2.91Å; D140-E142 PolarHBondContact O-N 3.49Å; D140-E142 VanDerWaalsContact O-N 3.08Å; D140-E142 PolarHBondContact OD1-N 2.89Å; D140-E142 VanDerWaalsContact OD1-N 3.15Å; D140-S143 PolarHBondContact O-N 2.84Å | ||
| 141 | P | 51.6 | Low | 52 | Low | 99 Ų | 99 | 109.7 Ų | 109.7 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -9.2 | -178.4 | 28.5 | -36.2 | 0 | 0 | 0 | 113.7 | D139 | D139-P141 WeakPolarHBondContact O-CD 3.19Š|
| 142 | E | 51 | Low | 52.6 | Low | 134 Ų | 134 | 107.2 Ų | 107.2 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -8.3 | 178.2 | -59.7 | -157.7 | 142.1 | 0 | 0 | 114.5 | D140 F144 R145 | D140-E142 PolarHBondContact O-N 3.49Å; D140-E142 VanDerWaalsContact O-N 3.08Å; D140-E142 PolarHBondContact OD1-N 2.89Å; D140-E142 VanDerWaalsContact OD1-N 3.15Å; E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 3.39Å; E142-F144 VanDerWaalsContact O-N 3.1Å; E142-R145 PolarHBondContact O-N 3.48Å; E142-R145 VanDerWaalsContact O-N 3.08Å |
| 143 | S | 60.4 | Low | 53.9 | Low | 46 Ų | 46 | 105.1 Ų | 105.1 | 32% | 0.322 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -25.3 | -172.9 | -162.5 | 0 | 0 | 0 | 0 | 114.6 | D140 R145 K160 | D140-S143 PolarHBondContact O-N 2.84Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 3.4Å; S143-K160 WeakPolarHBondContact O-CE 3.45Å; S143-K160 PolarHBondContact O-NZ 2.9Å; S143-K160 WeakPolarHBondContact OG-CE 3.43Å; S143-K160 PolarHBondContact OG-NZ 2.96Å |
| 144 | F | 61.8 | Low | 55.3 | Low | 19 Ų | 19 | 98.7 Ų | 98.7 | 8% | 0.083 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -95.1 | 35.6 | 175.3 | -56.5 | -72.7 | 0 | 0 | 0 | 113.6 | E142 I177 L181 L184 L186 | E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 3.39Å; E142-F144 VanDerWaalsContact O-N 3.1Å; F144-I177 HydrophobicContact CE1-CG2 3.68Å; F144-I177 HydrophobicContact CE2-CG2 4.04Å; F144-I177 HydrophobicContact CZ-CB 4.24Å; F144-I177 HydrophobicContact CZ-CD1 4.39Å; F144-I177 HydrophobicContact CZ-CG1 4.08Å; F144-I177 HydrophobicContact CZ-CG2 3.26Å; F144-L181 HydrophobicContact CB-CD2 4.02Å; F144-L181 HydrophobicContact CD1-CD2 3.77Å; F144-L181 HydrophobicContact CD2-CD2 4.09Å; F144-L181 HydrophobicContact CE1-CD2 4.32Å; F144-L181 HydrophobicContact CG-CD2 3.66Å; F144-L184 HydrophobicContact CD2-CD1 4.49Å; F144-L186 HydrophobicContact CB-CD1 3.62Å |
| 145 | R | 57.3 | Low | 56.8 | Low | 165 Ų | 165 | 96.9 Ų | 96.9 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -120.6 | 141 | 164.5 | -66.1 | 179.1 | 172 | -85.8 | -5.2 | 109.6 | E142 S143 | E142-R145 PolarHBondContact O-N 3.48Å; E142-R145 VanDerWaalsContact O-N 3.08Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 3.4Å |
| 146 | Q | 55.9 | Low | 58.6 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 24% | 0.243 | 52% | 0.522 | C | S | . | . | trans | -70.3 | 149.8 | 168 | -85.8 | 159.4 | -16.5 | 0 | 0 | 107.8 | D148 G149 T150 L152 D156 | Q146-D148 WeakPolarHBondContact CB-OD1 3.38Å; Q146-D148 PolarHBondContact O-N 3.45Å; Q146-G149 PolarHBondContact O-N 2.93Å; Q146-T150 PolarHBondContact N-O 2.94Å; Q146-T150 VanDerWaalsContact OE1-CB 3.31Å; Q146-L152 HydrophobicContact CB-CD1 4.2Å; Q146-L152 HydrophobicContact CG-CD1 3.72Å; Q146-L152 HydrophobicContact CG-CG 4.13Å; Q146-D156 PolarHBondContact NE2-OD1 3.48Å; Q146-D156 PolarHBondContact NE2-OD2 2.98Å | ||
| 147 | V | 51.8 | Low | 60.1 | Low | 160 Ų | 160 | 90.9 Ų | 90.9 | 97% | 0.97 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.8 | -173 | -177 | 0 | 0 | 0 | 0 | 112.6 | ||
| 148 | D | 46.2 | Very low | 62.1 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2.2 | 177 | 64.1 | -3.3 | 0 | 0 | 0 | 114.3 | Q146 T150 | Q146-D148 WeakPolarHBondContact CB-OD1 3.38Å; Q146-D148 PolarHBondContact O-N 3.45Å; D148-T150 VanDerWaalsContact C-N 3.35Å; D148-T150 VanDerWaalsContact OD1-CB 3.24Å; D148-T150 WeakPolarHBondContact OD1-CB 3.46Å; D148-T150 PolarHBondContact OD1-N 3.23Å; D148-T150 PolarHBondContact OD1-OG1 3.05Å; D148-T150 VanDerWaalsContact OD1-OG1 3.08Å; D148-T150 PolarHBondContact OD2-OG1 2.87Å |
| 149 | G | 52 | Low | 64.2 | Low | 53 Ų | 53 | 77.9 Ų | 77.9 | 55% | 0.546 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 83 | 4.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q146 | Q146-G149 PolarHBondContact O-N 2.93Š|
| 150 | T | 60.6 | Low | 65.9 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 140.3 | 171.7 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | Q146 D148 L152 | Q146-T150 PolarHBondContact N-O 2.94Å; Q146-T150 VanDerWaalsContact OE1-CB 3.31Å; D148-T150 VanDerWaalsContact C-N 3.35Å; D148-T150 VanDerWaalsContact OD1-CB 3.24Å; D148-T150 WeakPolarHBondContact OD1-CB 3.46Å; D148-T150 PolarHBondContact OD1-N 3.23Å; D148-T150 PolarHBondContact OD1-OG1 3.05Å; D148-T150 VanDerWaalsContact OD1-OG1 3.08Å; D148-T150 PolarHBondContact OD2-OG1 2.87Å; T150-L152 PolarHBondContact O-N 2.71Å |
| 151 | P | 59 | Low | 67.4 | Low | 103 Ų | 103 | 72.1 Ų | 72.1 | 67% | 0.669 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 129.2 | 170.1 | 27.1 | -33.6 | 0 | 0 | 0 | 109.3 | T153 | P151-T153 PolarHBondContact O-N 2.72Š|
| 152 | L | 67.4 | Low | 69.1 | Low | 24 Ų | 24 | 67.4 Ų | 67.4 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 140 | 176.1 | -95.7 | 71.1 | 0 | 0 | 0 | 110.1 | Q146 T150 D156 I157 | Q146-L152 HydrophobicContact CB-CD1 4.2Å; Q146-L152 HydrophobicContact CG-CD1 3.72Å; Q146-L152 HydrophobicContact CG-CG 4.13Å; T150-L152 PolarHBondContact O-N 2.71Å; L152-D156 HydrophobicContact CB-CB 4.02Å; L152-D156 HydrophobicContact CD2-CB 3.86Å; L152-D156 HydrophobicContact CG-CB 3.69Å; L152-I157 HydrophobicContact CB-CD1 4.27Å; L152-I157 HydrophobicContact CB-CG1 3.76Å; L152-I157 HydrophobicContact CD2-CG1 3.78Å; L152-I157 HydrophobicContact CG-CG1 4.41Å |
| 153 | T | 74.8 | Confident | 70.8 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 47% | 0.466 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 161.1 | 166.3 | 73.6 | 0 | 0 | 0 | 0 | 109.6 | P151 E155 D156 I157 | P151-T153 PolarHBondContact O-N 2.72Å; T153-E155 PolarHBondContact O-N 3.02Å; T153-D156 VanDerWaalsContact CB-OD2 3.28Å; T153-D156 WeakPolarHBondContact CB-OD2 3.3Å; T153-D156 WeakPolarHBondContact CG2-OD2 3.26Å; T153-D156 PolarHBondContact N-OD2 3.01Å; T153-D156 PolarHBondContact O-N 2.84Å; T153-D156 VanDerWaalsContact O-N 3.12Å; T153-D156 VanDerWaalsContact OG1-CG 3.3Å; T153-D156 PolarHBondContact OG1-N 3.45Å; T153-D156 PolarHBondContact OG1-OD2 3.39Å; T153-I157 WeakPolarHBondContact O-CG1 3.22Å; T153-I157 PolarHBondContact O-N 2.66Å; T153-I157 VanDerWaalsContact O-N 3.15Å |
| 154 | A | 77.6 | Confident | 72 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 49% | 0.488 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.5 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I157 V158 | A154-I157 WeakPolarHBondContact O-CB 3.4Å; A154-I157 PolarHBondContact O-N 2.85Å; A154-V158 VanDerWaalsContact O-CG2 3.31Å; A154-V158 WeakPolarHBondContact O-CG2 3.49Å; A154-V158 PolarHBondContact O-N 2.93Å |
| 155 | E | 80.9 | Confident | 73.1 | Confident | 121 Ų | 121 | 64.9 Ų | 64.9 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 176.9 | -164.8 | 64.3 | -162 | 0 | 0 | 112.6 | T153 I157 V158 Q159 | T153-E155 PolarHBondContact O-N 3.02Å; E155-I157 PolarHBondContact O-N 3.31Å; E155-V158 PolarHBondContact O-N 3.35Å; E155-Q159 WeakPolarHBondContact O-CB 3.13Å; E155-Q159 PolarHBondContact O-N 2.98Å |
| 156 | D | 82.7 | Confident | 74.5 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 176.6 | -61 | -69.8 | 0 | 0 | 0 | 111.6 | Q146 L152 T153 K160 | Q146-D156 PolarHBondContact NE2-OD1 3.48Å; Q146-D156 PolarHBondContact NE2-OD2 2.98Å; L152-D156 HydrophobicContact CB-CB 4.02Å; L152-D156 HydrophobicContact CD2-CB 3.86Å; L152-D156 HydrophobicContact CG-CB 3.69Å; T153-D156 VanDerWaalsContact CB-OD2 3.28Å; T153-D156 WeakPolarHBondContact CB-OD2 3.3Å; T153-D156 WeakPolarHBondContact CG2-OD2 3.26Å; T153-D156 PolarHBondContact N-OD2 3.01Å; T153-D156 PolarHBondContact O-N 2.84Å; T153-D156 VanDerWaalsContact O-N 3.12Å; T153-D156 VanDerWaalsContact OG1-CG 3.3Å; T153-D156 PolarHBondContact OG1-N 3.45Å; T153-D156 PolarHBondContact OG1-OD2 3.39Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.11Å |
| 157 | I | 82.4 | Confident | 75.9 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.5 | -49.4 | 175.2 | -65.4 | 172.9 | 0 | 0 | 0 | 109.5 | L152 T153 A154 E155 K160 I161 L181 I187 | L152-I157 HydrophobicContact CB-CD1 4.27Å; L152-I157 HydrophobicContact CB-CG1 3.76Å; L152-I157 HydrophobicContact CD2-CG1 3.78Å; L152-I157 HydrophobicContact CG-CG1 4.41Å; T153-I157 WeakPolarHBondContact O-CG1 3.22Å; T153-I157 PolarHBondContact O-N 2.66Å; T153-I157 VanDerWaalsContact O-N 3.15Å; A154-I157 WeakPolarHBondContact O-CB 3.4Å; A154-I157 PolarHBondContact O-N 2.85Å; E155-I157 PolarHBondContact O-N 3.31Å; I157-K160 PolarHBondContact O-N 2.87Å; I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.43Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.5Å; I157-I161 PolarHBondContact O-N 3.34Å; I157-L181 HydrophobicContact CD1-CD2 4.37Å; I157-L181 HydrophobicContact CG2-CD1 3.45Å; I157-L181 VanDerWaalsContact CG2-CD1 3.45Å; I157-L181 HydrophobicContact CG2-CD2 4.21Å; I157-L181 HydrophobicContact CG2-CG 4.49Å; I157-I187 HydrophobicContact CD1-CG2 4.18Å |
| 158 | V | 87.3 | Confident | 77.4 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.7 | -54.7 | 178.1 | 165.7 | 0 | 0 | 0 | 0 | 111.2 | A154 E155 K160 I161 A162 L195 Q198 V199 A202 | A154-V158 VanDerWaalsContact O-CG2 3.31Å; A154-V158 WeakPolarHBondContact O-CG2 3.49Å; A154-V158 PolarHBondContact O-N 2.93Å; E155-V158 PolarHBondContact O-N 3.35Å; V158-K160 VanDerWaalsContact C-N 3.29Å; V158-K160 PolarHBondContact O-N 3.19Å; V158-I161 PolarHBondContact O-N 2.91Å; V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.48Å; V158-L195 HydrophobicContact CG2-CD2 3.35Å; V158-Q198 HydrophobicContact CG1-CB 4.11Å; V158-Q198 WeakPolarHBondContact CG1-O 3.33Å; V158-Q198 HydrophobicContact CG2-CB 3.71Å; V158-V199 HydrophobicContact CB-CG2 4.33Å; V158-V199 HydrophobicContact CG1-CG2 4.17Å; V158-V199 HydrophobicContact CG2-CG2 4.26Å; V158-A202 HydrophobicContact CG1-CB 3.57Å |
| 159 | Q | 85.4 | Confident | 79.1 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | -179.8 | -171.6 | 67.9 | 67.1 | 0 | 0 | 111.8 | E155 A162 N163 | E155-Q159 WeakPolarHBondContact O-CB 3.13Å; E155-Q159 PolarHBondContact O-N 2.98Å; Q159-A162 PolarHBondContact O-N 3.24Å; Q159-N163 PolarHBondContact NE2-OD1 3.18Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 3.46Å; Q159-N163 PolarHBondContact O-OD1 2.98Å; Q159-N163 VanDerWaalsContact O-OD1 3.13Å |
| 160 | K | 84.8 | Confident | 80.6 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 34% | 0.339 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 178.9 | -172.9 | 158.7 | -175.2 | 166.6 | 0 | 112.8 | S143 D156 I157 V158 K164 | S143-K160 WeakPolarHBondContact O-CE 3.45Å; S143-K160 PolarHBondContact O-NZ 2.9Å; S143-K160 WeakPolarHBondContact OG-CE 3.43Å; S143-K160 PolarHBondContact OG-NZ 2.96Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.11Å; I157-K160 PolarHBondContact O-N 2.87Å; V158-K160 VanDerWaalsContact C-N 3.29Å; V158-K160 PolarHBondContact O-N 3.19Å; K160-K164 WeakPolarHBondContact O-CB 3.5Å; K160-K164 PolarHBondContact O-N 3.06Å |
| 161 | I | 85 | Confident | 81.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.4 | -48.4 | 171.4 | -63.4 | 161.8 | 0 | 0 | 0 | 110.1 | I157 V158 N163 K164 I165 F174 I177 L181 V199 | I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.43Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.5Å; I157-I161 PolarHBondContact O-N 3.34Å; V158-I161 PolarHBondContact O-N 2.91Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 2.95Å; I161-K164 PolarHBondContact O-N 3.07Å; I161-I165 HydrophobicContact CG2-CD1 3.68Å; I161-I165 HydrophobicContact CG2-CG1 4.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.48Å; I161-I165 PolarHBondContact O-N 2.78Å; I161-F174 HydrophobicContact CG2-CD2 3.9Å; I161-I177 HydrophobicContact CD1-CG2 3.98Å; I161-I177 HydrophobicContact CG1-CB 4.29Å; I161-I177 HydrophobicContact CG1-CD1 4.23Å; I161-I177 HydrophobicContact CG1-CG2 3.57Å; I161-I177 HydrophobicContact CG2-CD1 4.32Å; I161-L181 HydrophobicContact CD1-CD1 3.98Å; I161-V199 HydrophobicContact CB-CG1 4.2Å; I161-V199 HydrophobicContact CB-CG2 3.87Å; I161-V199 HydrophobicContact CD1-CG2 3.95Å; I161-V199 HydrophobicContact CG2-CB 4.45Å; I161-V199 HydrophobicContact CG2-CG1 3.66Å; I161-V199 HydrophobicContact CG2-CG2 3.93Å |
| 162 | A | 85.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.9 | -46.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V158 Q159 K164 I165 Y166 V199 A202 L203 | V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.48Å; Q159-A162 PolarHBondContact O-N 3.24Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.43Å; A162-I165 PolarHBondContact O-N 3.38Å; A162-Y166 WeakPolarHBondContact O-CB 3.28Å; A162-Y166 PolarHBondContact O-N 2.84Å; A162-V199 HydrophobicContact CB-CG1 4.41Å; A162-A202 HydrophobicContact CB-CB 4.05Å; A162-L203 HydrophobicContact CB-CB 4.1Å; A162-L203 WeakPolarHBondContact O-CD1 3.45Å |
| 163 | N | 86.4 | Confident | 83.7 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 173.7 | -68.1 | 5.8 | 0 | 0 | 0 | 111.9 | Q159 I161 Y166 E167 L206 | Q159-N163 PolarHBondContact NE2-OD1 3.18Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 3.46Å; Q159-N163 PolarHBondContact O-OD1 2.98Å; Q159-N163 VanDerWaalsContact O-OD1 3.13Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 2.95Å; N163-Y166 PolarHBondContact O-N 3.18Å; N163-E167 WeakPolarHBondContact O-CG 3.27Å; N163-E167 PolarHBondContact O-N 3.35Å; N163-L206 WeakPolarHBondContact OD1-CD2 3.36Å |
| 164 | K | 85.9 | Confident | 84.3 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 30% | 0.296 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | -178.9 | -152.1 | 81.1 | -164.7 | 78.2 | 0 | 112.8 | K160 I161 A162 Y166 E167 E168 V173 I177 | K160-K164 WeakPolarHBondContact O-CB 3.5Å; K160-K164 PolarHBondContact O-N 3.06Å; I161-K164 PolarHBondContact O-N 3.07Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.43Å; K164-Y166 VanDerWaalsContact C-N 3.35Å; K164-E167 IonicContact NZ-OE2 2.7Å; K164-E167 PolarHBondContact NZ-OE2 3.45Å; K164-E167 PolarHBondContact O-N 2.96Å; K164-E168 WeakPolarHBondContact CE-OE1 3.43Å; K164-E168 WeakPolarHBondContact CG-OE1 3.15Å; K164-E168 IonicContact NZ-OE1 3.38Å; K164-E168 PolarHBondContact NZ-OE1 2.95Å; K164-E168 WeakPolarHBondContact O-CB 3.49Å; K164-E168 PolarHBondContact O-N 3.46Å; K164-V173 HydrophobicContact CB-CG1 4.06Å; K164-V173 HydrophobicContact CG-CG1 3.86Å; K164-I177 HydrophobicContact CB-CD1 4.01Å; K164-I177 HydrophobicContact CG-CD1 4.2Å |
| 165 | I | 85.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 173.7 | -64.4 | 167.4 | 0 | 0 | 0 | 109.9 | I161 A162 E167 E168 D169 V173 F174 V199 L203 | I161-I165 HydrophobicContact CG2-CD1 3.68Å; I161-I165 HydrophobicContact CG2-CG1 4.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.48Å; I161-I165 PolarHBondContact O-N 2.78Å; A162-I165 PolarHBondContact O-N 3.38Å; I165-E167 VanDerWaalsContact C-N 3.34Å; I165-E167 PolarHBondContact O-N 3.36Å; I165-E168 PolarHBondContact O-N 2.94Å; I165-D169 WeakPolarHBondContact O-CA 3.31Å; I165-D169 PolarHBondContact O-N 3.08Å; I165-V173 HydrophobicContact CG1-CB 4.24Å; I165-V173 HydrophobicContact CG1-CG1 4.31Å; I165-F174 HydrophobicContact CD1-CB 3.91Å; I165-F174 HydrophobicContact CD1-CD2 4.36Å; I165-V199 HydrophobicContact CD1-CG1 3.71Å; I165-L203 HydrophobicContact CG2-CD1 4.46Å; I165-L203 HydrophobicContact CG2-CD2 3.84Å |
| 166 | Y | 87 | Confident | 85.2 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 43% | 0.431 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -31.9 | 176.2 | -174.4 | -100.1 | 0 | 0 | 0 | 113.6 | A162 N163 K164 L203 L206 I207 N210 | A162-Y166 WeakPolarHBondContact O-CB 3.28Å; A162-Y166 PolarHBondContact O-N 2.84Å; N163-Y166 PolarHBondContact O-N 3.18Å; K164-Y166 VanDerWaalsContact C-N 3.35Å; Y166-L203 HydrophobicContact CD2-CD1 4.5Å; Y166-L206 HydrophobicContact CD1-CD2 4.2Å; Y166-L206 HydrophobicContact CG-CD2 3.9Å; Y166-L206 HydrophobicContact CG-CG 4.5Å; Y166-I207 HydrophobicContact CD2-CG1 3.85Å; Y166-I207 HydrophobicContact CE2-CG1 3.92Å; Y166-N210 WeakPolarHBondContact CE1-ND2 3.27Å; Y166-N210 VanDerWaalsContact CZ-ND2 3.34Å; Y166-N210 PolarHBondContact OH-ND2 3.03Å |
| 167 | E | 85.9 | Confident | 85.3 | Confident | 133 Ų | 133 | 62.8 Ų | 62.8 | 62% | 0.621 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -74.5 | -36.1 | 175 | -76.9 | 171.2 | -170.1 | 0 | 0 | 113.8 | N163 K164 I165 | N163-E167 WeakPolarHBondContact O-CG 3.27Å; N163-E167 PolarHBondContact O-N 3.35Å; K164-E167 IonicContact NZ-OE2 2.7Å; K164-E167 PolarHBondContact NZ-OE2 3.45Å; K164-E167 PolarHBondContact O-N 2.96Å; I165-E167 VanDerWaalsContact C-N 3.34Å; I165-E167 PolarHBondContact O-N 3.36Å |
| 168 | E | 82.7 | Confident | 85.5 | Confident | 89 Ų | 89 | 63 Ų | 63 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -101.7 | -11.6 | -173.4 | -71.7 | 179.1 | -139.3 | 0 | 0 | 113.9 | K164 I165 D170 V173 | K164-E168 WeakPolarHBondContact CE-OE1 3.43Å; K164-E168 WeakPolarHBondContact CG-OE1 3.15Å; K164-E168 IonicContact NZ-OE1 3.38Å; K164-E168 PolarHBondContact NZ-OE1 2.95Å; K164-E168 WeakPolarHBondContact O-CB 3.49Å; K164-E168 PolarHBondContact O-N 3.46Å; I165-E168 PolarHBondContact O-N 2.94Å; E168-D170 PolarHBondContact O-N 3.41Å; E168-D170 VanDerWaalsContact O-N 3.11Å; E168-V173 HydrophobicContact CB-CG2 3.93Å; E168-V173 HydrophobicContact CG-CG2 4.48Å; E168-V173 WeakPolarHBondContact OE2-CG2 3.38Å |
| 169 | D | 81.4 | Confident | 85.5 | Confident | 158 Ų | 158 | 66.5 Ų | 66.5 | 85% | 0.845 | 32% | 0.322 | S | S | * | . | trans | 49.6 | 29 | -175.8 | -156.6 | 30.1 | 0 | 0 | 0 | 114.4 | I165 | I165-D169 WeakPolarHBondContact O-CA 3.31Å; I165-D169 PolarHBondContact O-N 3.08Å | ||
| 170 | D | 84.7 | Confident | 85.4 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | trans | -122.6 | 117.9 | -178.6 | 172.1 | 29.6 | 0 | 0 | 0 | 111 | E168 G172 V173 R176 | E168-D170 PolarHBondContact O-N 3.41Å; E168-D170 VanDerWaalsContact O-N 3.11Å; D170-G172 PolarHBondContact O-N 3.19Å; D170-G172 WeakPolarHBondContact OD1-CA 3.4Å; D170-G172 PolarHBondContact OD1-N 3.43Å; D170-V173 HydrophobicContact CB-CG2 3.89Å; D170-V173 VanDerWaalsContact O-CB 3.27Å; D170-V173 WeakPolarHBondContact O-CB 3.07Å; D170-V173 WeakPolarHBondContact O-CG2 3.47Å; D170-V173 PolarHBondContact O-N 2.96Å; D170-V173 VanDerWaalsContact O-N 3.13Å; D170-V173 PolarHBondContact OD2-N 2.83Å; D170-R176 IonicContact OD2-NH2 2.81Å; D170-R176 PolarHBondContact OD2-NH2 3.32Å | ||
| 171 | R | 80.2 | Confident | 85.4 | Confident | 179 Ų | 179 | 61.6 Ų | 61.6 | 68% | 0.675 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.4 | 172.6 | -174.5 | 177.4 | 178.5 | -178.1 | 0.6 | 112 | V173 F174 E196 | R171-V173 PolarHBondContact O-N 3.36Å; R171-V173 VanDerWaalsContact O-N 3.13Å; R171-F174 WeakPolarHBondContact O-CB 3.24Å; R171-F174 PolarHBondContact O-N 2.98Å; R171-E196 IonicContact CZ-OE1 3.67Å; R171-E196 IonicContact NH2-OE1 3.49Å; R171-E196 PolarHBondContact NH2-OE1 3.37Å |
| 172 | G | 84.1 | Confident | 85.4 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -13.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D170 F174 R176 | D170-G172 PolarHBondContact O-N 3.19Å; D170-G172 WeakPolarHBondContact OD1-CA 3.4Å; D170-G172 PolarHBondContact OD1-N 3.43Å; G172-F174 VanDerWaalsContact C-N 3.31Å; G172-R176 VanDerWaalsContact O-CB 3.27Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 2.61Å |
| 173 | V | 86.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -33.3 | 169.5 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | K164 I165 E168 D170 R171 R176 I177 | K164-V173 HydrophobicContact CB-CG1 4.06Å; K164-V173 HydrophobicContact CG-CG1 3.86Å; I165-V173 HydrophobicContact CG1-CB 4.24Å; I165-V173 HydrophobicContact CG1-CG1 4.31Å; E168-V173 HydrophobicContact CB-CG2 3.93Å; E168-V173 HydrophobicContact CG-CG2 4.48Å; E168-V173 WeakPolarHBondContact OE2-CG2 3.38Å; D170-V173 HydrophobicContact CB-CG2 3.89Å; D170-V173 VanDerWaalsContact O-CB 3.27Å; D170-V173 WeakPolarHBondContact O-CB 3.07Å; D170-V173 WeakPolarHBondContact O-CG2 3.47Å; D170-V173 PolarHBondContact O-N 2.96Å; D170-V173 VanDerWaalsContact O-N 3.13Å; D170-V173 PolarHBondContact OD2-N 2.83Å; R171-V173 PolarHBondContact O-N 3.36Å; R171-V173 VanDerWaalsContact O-N 3.13Å; V173-R176 PolarHBondContact O-N 3.11Å; V173-I177 HydrophobicContact CG1-CD1 3.58Å; V173-I177 HydrophobicContact CG1-CG1 4.23Å; V173-I177 WeakPolarHBondContact O-CB 3Å; V173-I177 VanDerWaalsContact O-CG1 3.27Å; V173-I177 WeakPolarHBondContact O-CG1 3.37Å; V173-I177 PolarHBondContact O-N 3.43Å |
| 174 | F | 88.1 | Confident | 85.3 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 7% | 0.07 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57 | -60.2 | 174.1 | 179.8 | -100.1 | 0 | 0 | 0 | 111 | I161 I165 R171 G172 R176 I177 V178 L195 E196 V199 | I161-F174 HydrophobicContact CG2-CD2 3.9Å; I165-F174 HydrophobicContact CD1-CB 3.91Å; I165-F174 HydrophobicContact CD1-CD2 4.36Å; R171-F174 WeakPolarHBondContact O-CB 3.24Å; R171-F174 PolarHBondContact O-N 2.98Å; G172-F174 VanDerWaalsContact C-N 3.31Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.07Å; F174-I177 PolarHBondContact O-N 2.91Å; F174-I177 VanDerWaalsContact O-N 3.07Å; F174-V178 HydrophobicContact CD1-CG2 4.22Å; F174-V178 HydrophobicContact CD2-CG2 4.19Å; F174-V178 HydrophobicContact CE1-CG2 3.81Å; F174-V178 HydrophobicContact CE2-CG2 3.76Å; F174-V178 HydrophobicContact CG-CG2 4.39Å; F174-V178 HydrophobicContact CZ-CG2 3.53Å; F174-V178 WeakPolarHBondContact O-CG2 3.38Å; F174-V178 PolarHBondContact O-N 2.95Å; F174-L195 HydrophobicContact CZ-CB 4.47Å; F174-E196 HydrophobicContact CE1-CB 3.88Å; F174-E196 HydrophobicContact CE1-CG 4.08Å; F174-E196 HydrophobicContact CE2-CB 4.35Å; F174-E196 HydrophobicContact CZ-CB 3.58Å; F174-E196 HydrophobicContact CZ-CG 4.12Å; F174-V199 HydrophobicContact CD2-CB 4.22Å; F174-V199 HydrophobicContact CD2-CG1 4.02Å; F174-V199 HydrophobicContact CD2-CG2 4.34Å; F174-V199 HydrophobicContact CE2-CB 3.99Å; F174-V199 HydrophobicContact CE2-CG1 4.31Å; F174-V199 HydrophobicContact CE2-CG2 3.95Å |
| 175 | D | 88.7 | Confident | 85 | Confident | 100 Ų | 100 | 74.9 Ų | 74.9 | 54% | 0.535 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.3 | -38.7 | -178 | -65.2 | -31.5 | 0 | 0 | 0 | 111.8 | S179 | D175-S179 WeakPolarHBondContact O-CB 3.44Å; D175-S179 PolarHBondContact O-N 3.26Å; D175-S179 PolarHBondContact O-OG 2.7Å |
| 176 | R | 88.3 | Confident | 84.8 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 178.3 | -160.3 | -170.2 | -47.3 | -169.3 | 11.1 | 112 | D170 G172 V173 F174 K180 | D170-R176 IonicContact OD2-NH2 2.81Å; D170-R176 PolarHBondContact OD2-NH2 3.32Å; G172-R176 VanDerWaalsContact O-CB 3.27Å; G172-R176 WeakPolarHBondContact O-CB 3.26Å; G172-R176 PolarHBondContact O-N 2.61Å; V173-R176 PolarHBondContact O-N 3.11Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.07Å; R176-K180 VanDerWaalsContact O-CD 3.3Å; R176-K180 WeakPolarHBondContact O-CD 3.24Å; R176-K180 WeakPolarHBondContact O-CE 3.42Å; R176-K180 VanDerWaalsContact O-CG 3.25Å; R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 3.47Å |
| 177 | I | 84.5 | Confident | 84.6 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -77.4 | -46.8 | 176.2 | -67.6 | 169.8 | 0 | 0 | 0 | 111 | F144 I161 K164 V173 F174 S179 K180 L181 | F144-I177 HydrophobicContact CE1-CG2 3.68Å; F144-I177 HydrophobicContact CE2-CG2 4.04Å; F144-I177 HydrophobicContact CZ-CB 4.24Å; F144-I177 HydrophobicContact CZ-CD1 4.39Å; F144-I177 HydrophobicContact CZ-CG1 4.08Å; F144-I177 HydrophobicContact CZ-CG2 3.26Å; I161-I177 HydrophobicContact CD1-CG2 3.98Å; I161-I177 HydrophobicContact CG1-CB 4.29Å; I161-I177 HydrophobicContact CG1-CD1 4.23Å; I161-I177 HydrophobicContact CG1-CG2 3.57Å; I161-I177 HydrophobicContact CG2-CD1 4.32Å; K164-I177 HydrophobicContact CB-CD1 4.01Å; K164-I177 HydrophobicContact CG-CD1 4.2Å; V173-I177 HydrophobicContact CG1-CD1 3.58Å; V173-I177 HydrophobicContact CG1-CG1 4.23Å; V173-I177 WeakPolarHBondContact O-CB 3Å; V173-I177 VanDerWaalsContact O-CG1 3.27Å; V173-I177 WeakPolarHBondContact O-CG1 3.37Å; V173-I177 PolarHBondContact O-N 3.43Å; F174-I177 PolarHBondContact O-N 2.91Å; F174-I177 VanDerWaalsContact O-N 3.07Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 2.84Å; I177-K180 CarbonylContact O-C 3.59Å; I177-K180 WeakPolarHBondContact O-CA 3.41Å; I177-K180 WeakPolarHBondContact O-CB 3.27Å; I177-K180 PolarHBondContact O-N 3.07Å; I177-L181 HydrophobicContact CG2-CD1 3.69Å; I177-L181 HydrophobicContact CG2-CG 4.06Å; I177-L181 WeakPolarHBondContact O-CG 3.32Å; I177-L181 PolarHBondContact O-N 2.97Å |
| 178 | V | 87.6 | Confident | 84.6 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 177.8 | 170 | 0 | 0 | 0 | 0 | 111 | F174 K180 L181 L182 I187 A192 | F174-V178 HydrophobicContact CD1-CG2 4.22Å; F174-V178 HydrophobicContact CD2-CG2 4.19Å; F174-V178 HydrophobicContact CE1-CG2 3.81Å; F174-V178 HydrophobicContact CE2-CG2 3.76Å; F174-V178 HydrophobicContact CG-CG2 4.39Å; F174-V178 HydrophobicContact CZ-CG2 3.53Å; F174-V178 WeakPolarHBondContact O-CG2 3.38Å; F174-V178 PolarHBondContact O-N 2.95Å; V178-K180 VanDerWaalsContact C-N 3.29Å; V178-K180 PolarHBondContact O-N 3.18Å; V178-L181 PolarHBondContact O-N 3.46Å; V178-L182 HydrophobicContact CG1-CD1 4.04Å; V178-L182 WeakPolarHBondContact O-CG 3.39Å; V178-L182 PolarHBondContact O-N 3.13Å; V178-I187 HydrophobicContact CG1-CD1 4.22Å; V178-A192 HydrophobicContact CG1-CB 3.57Å |
| 179 | S | 86.9 | Confident | 84.6 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 53% | 0.531 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 173.5 | -63 | 0 | 0 | 0 | 0 | 113.1 | D175 I177 K183 | D175-S179 WeakPolarHBondContact O-CB 3.44Å; D175-S179 PolarHBondContact O-N 3.26Å; D175-S179 PolarHBondContact O-OG 2.7Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 2.84Å; S179-K183 VanDerWaalsContact O-CB 3.25Å; S179-K183 WeakPolarHBondContact O-CB 3.27Å; S179-K183 PolarHBondContact O-N 3.13Å; S179-K183 VanDerWaalsContact O-N 3.07Å |
| 180 | K | 84.8 | Confident | 84.7 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 22% | 0.217 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.1 | -41.8 | 175.3 | -70.5 | 162.6 | -170.5 | 162 | 0 | 111.7 | D139 R176 I177 V178 K183 L184 | D139-K180 IonicContact OD1-NZ 3.86Å; D139-K180 PolarHBondContact OD1-NZ 3.39Å; D139-K180 VanDerWaalsContact OD2-CE 3.23Å; D139-K180 WeakPolarHBondContact OD2-CE 3.41Å; D139-K180 IonicContact OD2-NZ 2.73Å; D139-K180 PolarHBondContact OD2-NZ 2.98Å; R176-K180 VanDerWaalsContact O-CD 3.3Å; R176-K180 WeakPolarHBondContact O-CD 3.24Å; R176-K180 WeakPolarHBondContact O-CE 3.42Å; R176-K180 VanDerWaalsContact O-CG 3.25Å; R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 3.47Å; I177-K180 CarbonylContact O-C 3.59Å; I177-K180 WeakPolarHBondContact O-CA 3.41Å; I177-K180 WeakPolarHBondContact O-CB 3.27Å; I177-K180 PolarHBondContact O-N 3.07Å; V178-K180 VanDerWaalsContact C-N 3.29Å; V178-K180 PolarHBondContact O-N 3.18Å; K180-K183 CarbonylContact O-C 3.57Å; K180-K183 PolarHBondContact O-N 2.71Å; K180-L184 WeakPolarHBondContact O-CB 3.31Å; K180-L184 VanDerWaalsContact O-CG 3.26Å; K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 3.31Å |
| 181 | L | 84.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.7 | -68.8 | 166.6 | 0 | 0 | 0 | 111.6 | F144 I157 I161 I177 V178 L184 G185 L186 I187 | F144-L181 HydrophobicContact CB-CD2 4.02Å; F144-L181 HydrophobicContact CD1-CD2 3.77Å; F144-L181 HydrophobicContact CD2-CD2 4.09Å; F144-L181 HydrophobicContact CE1-CD2 4.32Å; F144-L181 HydrophobicContact CG-CD2 3.66Å; I157-L181 HydrophobicContact CD1-CD2 4.37Å; I157-L181 HydrophobicContact CG2-CD1 3.45Å; I157-L181 VanDerWaalsContact CG2-CD1 3.45Å; I157-L181 HydrophobicContact CG2-CD2 4.21Å; I157-L181 HydrophobicContact CG2-CG 4.49Å; I161-L181 HydrophobicContact CD1-CD1 3.98Å; I177-L181 HydrophobicContact CG2-CD1 3.69Å; I177-L181 HydrophobicContact CG2-CG 4.06Å; I177-L181 WeakPolarHBondContact O-CG 3.32Å; I177-L181 PolarHBondContact O-N 2.97Å; V178-L181 PolarHBondContact O-N 3.46Å; L181-L184 PolarHBondContact O-N 3.39Å; L181-G185 PolarHBondContact O-N 2.7Å; L181-G185 VanDerWaalsContact O-N 3.11Å; L181-L186 HydrophobicContact CD2-CB 4.07Å; L181-L186 HydrophobicContact CD2-CD1 3.8Å; L181-L186 PolarHBondContact O-N 3.21Å; L181-I187 HydrophobicContact CB-CD1 3.54Å; L181-I187 HydrophobicContact CB-CG1 3.7Å; L181-I187 HydrophobicContact CB-CG2 4.27Å; L181-I187 HydrophobicContact CD1-CD1 4.16Å |
| 182 | L | 85.1 | Confident | 84.7 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 171.2 | -71.7 | 167.9 | 0 | 0 | 0 | 111.2 | V178 L184 G185 I187 T188 E189 A192 | V178-L182 HydrophobicContact CG1-CD1 4.04Å; V178-L182 WeakPolarHBondContact O-CG 3.39Å; V178-L182 PolarHBondContact O-N 3.13Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.15Å; L182-G185 PolarHBondContact O-N 2.69Å; L182-I187 HydrophobicContact CD2-CD1 4.3Å; L182-I187 HydrophobicContact CD2-CG1 3.85Å; L182-I187 HydrophobicContact CG-CD1 4.1Å; L182-I187 HydrophobicContact CG-CG1 4Å; L182-T188 VanDerWaalsContact CD2-C 3.46Å; L182-E189 HydrophobicContact CD2-CG 3.99Å; L182-A192 HydrophobicContact CD1-CB 4.19Å; L182-A192 HydrophobicContact CD2-CB 4.33Å; L182-A192 HydrophobicContact CG-CB 4.48Å |
| 183 | K | 87.1 | Confident | 84.6 | Confident | 189 Ų | 189 | 68.5 Ų | 68.5 | 82% | 0.822 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.7 | -29.7 | 177.7 | -175.2 | 178.2 | -179.8 | -177.6 | 0 | 113.6 | S179 K180 | S179-K183 VanDerWaalsContact O-CB 3.25Å; S179-K183 WeakPolarHBondContact O-CB 3.27Å; S179-K183 PolarHBondContact O-N 3.13Å; S179-K183 VanDerWaalsContact O-N 3.07Å; K180-K183 CarbonylContact O-C 3.57Å; K180-K183 PolarHBondContact O-N 2.71Å |
| 184 | L | 81.8 | Confident | 84.6 | Confident | 93 Ų | 93 | 71.6 Ų | 71.6 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.2 | 175.1 | -69.8 | 172.1 | 0 | 0 | 0 | 113.1 | F144 K180 L181 L182 L186 | F144-L184 HydrophobicContact CD2-CD1 4.49Å; K180-L184 WeakPolarHBondContact O-CB 3.31Å; K180-L184 VanDerWaalsContact O-CG 3.26Å; K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 3.31Å; L181-L184 PolarHBondContact O-N 3.39Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.15Å; L184-L186 HydrophobicContact CB-CD1 3.87Å; L184-L186 HydrophobicContact CB-CG 3.94Å; L184-L186 HydrophobicContact CD1-CD1 3.89Å; L184-L186 PolarHBondContact O-N 3.19Å |
| 185 | G | 79.9 | Confident | 84.6 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 22.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L181 L182 | L181-G185 PolarHBondContact O-N 2.7Å; L181-G185 VanDerWaalsContact O-N 3.11Å; L182-G185 PolarHBondContact O-N 2.69Å |
| 186 | L | 81.6 | Confident | 84.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -79.3 | -24.3 | 177.8 | -70.9 | 169.1 | 0 | 0 | 0 | 112.1 | F144 L181 L184 | F144-L186 HydrophobicContact CB-CD1 3.62Å; L181-L186 HydrophobicContact CD2-CB 4.07Å; L181-L186 HydrophobicContact CD2-CD1 3.8Å; L181-L186 PolarHBondContact O-N 3.21Å; L184-L186 HydrophobicContact CB-CD1 3.87Å; L184-L186 HydrophobicContact CB-CG 3.94Å; L184-L186 HydrophobicContact CD1-CD1 3.89Å; L184-L186 PolarHBondContact O-N 3.19Å |
| 187 | I | 83.4 | Confident | 84.6 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -135.6 | 157.5 | 175.5 | 70 | 178.5 | 0 | 0 | 0 | 109.2 | I157 V178 L181 L182 Q191 A192 L195 | I157-I187 HydrophobicContact CD1-CG2 4.18Å; V178-I187 HydrophobicContact CG1-CD1 4.22Å; L181-I187 HydrophobicContact CB-CD1 3.54Å; L181-I187 HydrophobicContact CB-CG1 3.7Å; L181-I187 HydrophobicContact CB-CG2 4.27Å; L181-I187 HydrophobicContact CD1-CD1 4.16Å; L182-I187 HydrophobicContact CD2-CD1 4.3Å; L182-I187 HydrophobicContact CD2-CG1 3.85Å; L182-I187 HydrophobicContact CG-CD1 4.1Å; L182-I187 HydrophobicContact CG-CG1 4Å; I187-Q191 HydrophobicContact CB-CB 4.24Å; I187-A192 HydrophobicContact CD1-CB 4.07Å; I187-L195 HydrophobicContact CB-CD1 4.4Å; I187-L195 HydrophobicContact CD1-CD1 3.58Å; I187-L195 HydrophobicContact CG2-CD1 3.98Å |
| 188 | T | 84.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | trans | -94.1 | 164.2 | 168 | 66 | 0 | 0 | 0 | 0 | 111.6 | L182 N190 Q191 A192 | L182-T188 VanDerWaalsContact CD2-C 3.46Å; T188-N190 VanDerWaalsContact C-N 3.29Å; T188-N190 PolarHBondContact O-N 3.24Å; T188-Q191 WeakPolarHBondContact O-CA 3.42Å; T188-Q191 WeakPolarHBondContact O-CB 3.31Å; T188-Q191 PolarHBondContact O-N 3.21Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.32Å; T188-Q191 PolarHBondContact OG1-N 3.08Å; T188-Q191 PolarHBondContact OG1-OE1 2.97Å; T188-A192 PolarHBondContact O-N 2.77Å | ||
| 189 | E | 82.9 | Confident | 84.9 | Confident | 149 Ų | 149 | 75.8 Ų | 75.8 | 70% | 0.696 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -54.9 | -44.9 | 176 | -66.4 | 172.4 | -177.6 | 0 | 0 | 111.3 | L182 Q191 A192 D193 | L182-E189 HydrophobicContact CD2-CG 3.99Å; E189-Q191 PolarHBondContact O-N 3.35Å; E189-A192 WeakPolarHBondContact O-CB 3.47Å; E189-A192 PolarHBondContact O-N 3.48Å; E189-D193 PolarHBondContact O-N 3.44Å |
| 190 | N | 83.6 | Confident | 84.9 | Confident | 126 Ų | 126 | 74.7 Ų | 74.7 | 67% | 0.674 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.4 | -21.2 | 175.7 | -57.1 | 106.2 | 0 | 0 | 0 | 114.5 | T188 | T188-N190 VanDerWaalsContact C-N 3.29Å; T188-N190 PolarHBondContact O-N 3.24Å |
| 191 | Q | 81.9 | Confident | 85.2 | Confident | 90 Ų | 90 | 78.5 Ų | 78.5 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -83.6 | -35.5 | 172.7 | -71.3 | 174.7 | -51.8 | 0 | 0 | 111.2 | I187 T188 E189 D193 T194 L195 | I187-Q191 HydrophobicContact CB-CB 4.24Å; T188-Q191 WeakPolarHBondContact O-CA 3.42Å; T188-Q191 WeakPolarHBondContact O-CB 3.31Å; T188-Q191 PolarHBondContact O-N 3.21Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.32Å; T188-Q191 PolarHBondContact OG1-N 3.08Å; T188-Q191 PolarHBondContact OG1-OE1 2.97Å; E189-Q191 PolarHBondContact O-N 3.35Å; Q191-D193 VanDerWaalsContact C-N 3.31Å; Q191-D193 PolarHBondContact O-N 3.3Å; Q191-T194 PolarHBondContact O-N 3.03Å; Q191-T194 VanDerWaalsContact O-N 3.08Å; Q191-T194 PolarHBondContact O-OG1 2.99Å; Q191-L195 VanDerWaalsContact O-CG 3.31Å; Q191-L195 WeakPolarHBondContact O-CG 3.23Å; Q191-L195 PolarHBondContact O-N 3.21Å |
| 192 | A | 82.6 | Confident | 85.4 | Confident | 11 Ų | 11 | 79 Ų | 79 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56 | -45.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V178 L182 I187 T188 E189 T194 L195 | V178-A192 HydrophobicContact CG1-CB 3.57Å; L182-A192 HydrophobicContact CD1-CB 4.19Å; L182-A192 HydrophobicContact CD2-CB 4.33Å; L182-A192 HydrophobicContact CG-CB 4.48Å; I187-A192 HydrophobicContact CD1-CB 4.07Å; T188-A192 PolarHBondContact O-N 2.77Å; E189-A192 WeakPolarHBondContact O-CB 3.47Å; E189-A192 PolarHBondContact O-N 3.48Å; A192-T194 PolarHBondContact O-N 3.4Å; A192-L195 PolarHBondContact O-N 3.04Å |
| 193 | D | 82.9 | Confident | 85.5 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57 | -31.5 | 176 | -60.2 | -25.5 | 0 | 0 | 0 | 113.1 | E189 Q191 | E189-D193 PolarHBondContact O-N 3.44Å; Q191-D193 VanDerWaalsContact C-N 3.31Å; Q191-D193 PolarHBondContact O-N 3.3Å |
| 194 | T | 87 | Confident | 85.6 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -89 | -20.5 | 178 | 57 | 0 | 0 | 0 | 0 | 113.9 | Q191 A192 Q198 | Q191-T194 PolarHBondContact O-N 3.03Å; Q191-T194 VanDerWaalsContact O-N 3.08Å; Q191-T194 PolarHBondContact O-OG1 2.99Å; A192-T194 PolarHBondContact O-N 3.4Å; T194-Q198 PolarHBondContact O-N 3.22Å |
| 195 | L | 87.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.8 | -27.1 | -177.3 | -81.6 | 167 | 0 | 0 | 0 | 112.7 | V158 F174 I187 Q191 A192 Y197 Q198 V199 | V158-L195 HydrophobicContact CG2-CD2 3.35Å; F174-L195 HydrophobicContact CZ-CB 4.47Å; I187-L195 HydrophobicContact CB-CD1 4.4Å; I187-L195 HydrophobicContact CD1-CD1 3.58Å; I187-L195 HydrophobicContact CG2-CD1 3.98Å; Q191-L195 VanDerWaalsContact O-CG 3.31Å; Q191-L195 WeakPolarHBondContact O-CG 3.23Å; Q191-L195 PolarHBondContact O-N 3.21Å; A192-L195 PolarHBondContact O-N 3.04Å; L195-Y197 VanDerWaalsContact C-N 3.35Å; L195-Y197 PolarHBondContact O-N 3.28Å; L195-Q198 PolarHBondContact O-N 3.42Å; L195-V199 VanDerWaalsContact O-CB 3.31Å; L195-V199 WeakPolarHBondContact O-CB 3.48Å; L195-V199 VanDerWaalsContact O-CG2 3.27Å; L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 2.69Å |
| 196 | E | 87.7 | Confident | 86.3 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 36% | 0.36 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 177.5 | -171.4 | 177.2 | -166.3 | 0 | 0 | 110.8 | R171 F174 A200 | R171-E196 IonicContact CZ-OE1 3.67Å; R171-E196 IonicContact NH2-OE1 3.49Å; R171-E196 PolarHBondContact NH2-OE1 3.37Å; F174-E196 HydrophobicContact CE1-CB 3.88Å; F174-E196 HydrophobicContact CE1-CG 4.08Å; F174-E196 HydrophobicContact CE2-CB 4.35Å; F174-E196 HydrophobicContact CZ-CB 3.58Å; F174-E196 HydrophobicContact CZ-CG 4.12Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 3.27Å |
| 197 | Y | 89.8 | Confident | 86.4 | Confident | 182 Ų | 182 | 74.7 Ų | 74.7 | 71% | 0.714 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 177.9 | -64.4 | -74 | 0 | 0 | 0 | 112.7 | L195 A200 E201 | L195-Y197 VanDerWaalsContact C-N 3.35Å; L195-Y197 PolarHBondContact O-N 3.28Å; Y197-A200 PolarHBondContact O-N 3.21Å; Y197-E201 PolarHBondContact O-N 3.46Å |
| 198 | Q | 88.5 | Confident | 86.6 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 179.6 | -68.1 | 174.6 | -9.2 | 0 | 0 | 112.1 | V158 T194 L195 E201 A202 | V158-Q198 HydrophobicContact CG1-CB 4.11Å; V158-Q198 WeakPolarHBondContact CG1-O 3.33Å; V158-Q198 HydrophobicContact CG2-CB 3.71Å; T194-Q198 PolarHBondContact O-N 3.22Å; L195-Q198 PolarHBondContact O-N 3.42Å; Q198-E201 PolarHBondContact O-N 3.21Å; Q198-A202 WeakPolarHBondContact O-CB 3.39Å; Q198-A202 PolarHBondContact O-N 3.05Å |
| 199 | V | 90 | Very high | 86.7 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | V158 I161 A162 I165 F174 L195 A202 L203 | V158-V199 HydrophobicContact CB-CG2 4.33Å; V158-V199 HydrophobicContact CG1-CG2 4.17Å; V158-V199 HydrophobicContact CG2-CG2 4.26Å; I161-V199 HydrophobicContact CB-CG1 4.2Å; I161-V199 HydrophobicContact CB-CG2 3.87Å; I161-V199 HydrophobicContact CD1-CG2 3.95Å; I161-V199 HydrophobicContact CG2-CB 4.45Å; I161-V199 HydrophobicContact CG2-CG1 3.66Å; I161-V199 HydrophobicContact CG2-CG2 3.93Å; A162-V199 HydrophobicContact CB-CG1 4.41Å; I165-V199 HydrophobicContact CD1-CG1 3.71Å; F174-V199 HydrophobicContact CD2-CB 4.22Å; F174-V199 HydrophobicContact CD2-CG1 4.02Å; F174-V199 HydrophobicContact CD2-CG2 4.34Å; F174-V199 HydrophobicContact CE2-CB 3.99Å; F174-V199 HydrophobicContact CE2-CG1 4.31Å; F174-V199 HydrophobicContact CE2-CG2 3.95Å; L195-V199 VanDerWaalsContact O-CB 3.31Å; L195-V199 WeakPolarHBondContact O-CB 3.48Å; L195-V199 VanDerWaalsContact O-CG2 3.27Å; L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 2.69Å; V199-A202 PolarHBondContact O-N 3.43Å; V199-L203 WeakPolarHBondContact O-CB 3.2Å; V199-L203 PolarHBondContact O-N 3.11Å |
| 200 | A | 87 | Confident | 86.6 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E196 Y197 L203 Q204 | E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 3.27Å; Y197-A200 PolarHBondContact O-N 3.21Å; A200-L203 PolarHBondContact O-N 3.35Å; A200-Q204 WeakPolarHBondContact O-CB 3.18Å; A200-Q204 PolarHBondContact O-N 3.29Å |
| 201 | E | 90.6 | Very high | 86.5 | Confident | 131 Ų | 131 | 71.5 Ų | 71.5 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.4 | -50.2 | 175.2 | -173.6 | 170 | -162.2 | 0 | 0 | 111.3 | Y197 Q198 L203 Q204 D205 | Y197-E201 PolarHBondContact O-N 3.46Å; Q198-E201 PolarHBondContact O-N 3.21Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.48Å; E201-Q204 PolarHBondContact O-N 2.95Å; E201-D205 PolarHBondContact O-N 2.89Å |
| 202 | A | 88.1 | Confident | 86.3 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 8% | 0.083 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V158 A162 Q198 V199 L206 | V158-A202 HydrophobicContact CG1-CB 3.57Å; A162-A202 HydrophobicContact CB-CB 4.05Å; Q198-A202 WeakPolarHBondContact O-CB 3.39Å; Q198-A202 PolarHBondContact O-N 3.05Å; V199-A202 PolarHBondContact O-N 3.43Å; A202-L206 VanDerWaalsContact O-CB 3.28Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 PolarHBondContact O-N 2.83Å |
| 203 | L | 87.9 | Confident | 85.7 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 18% | 0.183 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 173.7 | 179.5 | 65.5 | 0 | 0 | 0 | 111.1 | A162 I165 Y166 V199 A200 E201 D205 L206 I207 | A162-L203 HydrophobicContact CB-CB 4.1Å; A162-L203 WeakPolarHBondContact O-CD1 3.45Å; I165-L203 HydrophobicContact CG2-CD1 4.46Å; I165-L203 HydrophobicContact CG2-CD2 3.84Å; Y166-L203 HydrophobicContact CD2-CD1 4.5Å; V199-L203 WeakPolarHBondContact O-CB 3.2Å; V199-L203 PolarHBondContact O-N 3.11Å; A200-L203 PolarHBondContact O-N 3.35Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.48Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.42Å; L203-L206 PolarHBondContact O-N 3.33Å; L203-I207 HydrophobicContact CD1-CD1 4.18Å; L203-I207 HydrophobicContact CD1-CG1 4.43Å; L203-I207 HydrophobicContact CG-CD1 3.94Å; L203-I207 WeakPolarHBondContact O-CB 3.45Å; L203-I207 VanDerWaalsContact O-CG1 3.27Å; L203-I207 WeakPolarHBondContact O-CG1 3.25Å; L203-I207 PolarHBondContact O-N 3.44Å |
| 204 | Q | 88.2 | Confident | 84.7 | Confident | 134 Ų | 134 | 75.6 Ų | 75.6 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 175 | -178.6 | 175.4 | -8.8 | 0 | 0 | 111.5 | A200 E201 T208 | A200-Q204 WeakPolarHBondContact O-CB 3.18Å; A200-Q204 PolarHBondContact O-N 3.29Å; E201-Q204 PolarHBondContact O-N 2.95Å; Q204-T208 VanDerWaalsContact O-CB 3.26Å; Q204-T208 WeakPolarHBondContact O-CB 3.27Å; Q204-T208 PolarHBondContact O-N 3.43Å; Q204-T208 PolarHBondContact O-OG1 2.95Å |
| 205 | D | 88.5 | Confident | 83.2 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 59% | 0.588 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 174 | -95.5 | 2.1 | 0 | 0 | 0 | 112 | E201 L203 T208 K209 | E201-D205 PolarHBondContact O-N 2.89Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.42Å; D205-T208 PolarHBondContact O-N 3.49Å; D205-K209 WeakPolarHBondContact O-CB 3.41Å; D205-K209 PolarHBondContact O-N 3.48Å |
| 206 | L | 87.8 | Confident | 81.5 | Confident | 25 Ų | 25 | 82.9 Ų | 82.9 | 13% | 0.131 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | 175.4 | -178.2 | 66.6 | 0 | 0 | 0 | 111.8 | N163 Y166 A202 L203 K209 N210 | N163-L206 WeakPolarHBondContact OD1-CD2 3.36Å; Y166-L206 HydrophobicContact CD1-CD2 4.2Å; Y166-L206 HydrophobicContact CG-CD2 3.9Å; Y166-L206 HydrophobicContact CG-CG 4.5Å; A202-L206 VanDerWaalsContact O-CB 3.28Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 PolarHBondContact O-N 2.83Å; L203-L206 PolarHBondContact O-N 3.33Å; L206-K209 PolarHBondContact O-N 3.38Å; L206-N210 WeakPolarHBondContact O-CB 3.42Å; L206-N210 PolarHBondContact O-N 3.25Å |
| 207 | I | 84.7 | Confident | 79.7 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.8 | -68.3 | 164.2 | 0 | 0 | 0 | 109.9 | Y166 L203 K209 N210 A211 | Y166-I207 HydrophobicContact CD2-CG1 3.85Å; Y166-I207 HydrophobicContact CE2-CG1 3.92Å; L203-I207 HydrophobicContact CD1-CD1 4.18Å; L203-I207 HydrophobicContact CD1-CG1 4.43Å; L203-I207 HydrophobicContact CG-CD1 3.94Å; L203-I207 WeakPolarHBondContact O-CB 3.45Å; L203-I207 VanDerWaalsContact O-CG1 3.27Å; L203-I207 WeakPolarHBondContact O-CG1 3.25Å; L203-I207 PolarHBondContact O-N 3.44Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 2.89Å; I207-N210 PolarHBondContact O-N 2.73Å; I207-A211 VanDerWaalsContact O-CB 3.3Å; I207-A211 WeakPolarHBondContact O-CB 3.21Å; I207-A211 PolarHBondContact O-N 3.03Å |
| 208 | T | 87.9 | Confident | 77.6 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 31% | 0.307 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | Q204 D205 K212 | Q204-T208 VanDerWaalsContact O-CB 3.26Å; Q204-T208 WeakPolarHBondContact O-CB 3.27Å; Q204-T208 PolarHBondContact O-N 3.43Å; Q204-T208 PolarHBondContact O-OG1 2.95Å; D205-T208 PolarHBondContact O-N 3.49Å; T208-K212 HydrophobicContact CG2-CD 4.25Å; T208-K212 WeakPolarHBondContact O-CB 3.32Å; T208-K212 WeakPolarHBondContact O-CD 3.4Å; T208-K212 VanDerWaalsContact O-CG 3.27Å; T208-K212 WeakPolarHBondContact O-CG 3.35Å; T208-K212 PolarHBondContact O-N 3.49Å; T208-K212 VanDerWaalsContact O-N 3.1Å |
| 209 | K | 86.8 | Confident | 75.5 | Confident | 135 Ų | 135 | 82.7 Ų | 82.7 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73.1 | -41.6 | 178.8 | -175.8 | 178.7 | 179.7 | -177.7 | 0 | 112.2 | D205 L206 I207 K212 N213 | D205-K209 WeakPolarHBondContact O-CB 3.41Å; D205-K209 PolarHBondContact O-N 3.48Å; L206-K209 PolarHBondContact O-N 3.38Å; I207-K209 VanDerWaalsContact C-N 3.29Å; I207-K209 PolarHBondContact O-N 2.89Å; K209-K212 PolarHBondContact O-N 3.24Å; K209-N213 WeakPolarHBondContact O-CB 3.5Å; K209-N213 PolarHBondContact O-N 3.38Å |
| 210 | N | 79.9 | Confident | 73.3 | Confident | 53 Ų | 53 | 87.4 Ų | 87.4 | 28% | 0.283 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 175.2 | -76.5 | -12.7 | 0 | 0 | 0 | 111.5 | Y166 L206 I207 K212 N213 N214 | Y166-N210 WeakPolarHBondContact CE1-ND2 3.27Å; Y166-N210 VanDerWaalsContact CZ-ND2 3.34Å; Y166-N210 PolarHBondContact OH-ND2 3.03Å; L206-N210 WeakPolarHBondContact O-CB 3.42Å; L206-N210 PolarHBondContact O-N 3.25Å; I207-N210 PolarHBondContact O-N 2.73Å; N210-K212 PolarHBondContact O-N 3.45Å; N210-N213 PolarHBondContact O-N 3.26Å; N210-N214 WeakPolarHBondContact O-CB 3.43Å; N210-N214 PolarHBondContact O-N 3.28Å |
| 211 | A | 81.1 | Confident | 71.3 | Confident | 58 Ų | 58 | 92.3 Ų | 92.3 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | I207 N214 E215 | I207-A211 VanDerWaalsContact O-CB 3.3Å; I207-A211 WeakPolarHBondContact O-CB 3.21Å; I207-A211 PolarHBondContact O-N 3.03Å; A211-N214 PolarHBondContact O-N 2.99Å; A211-E215 WeakPolarHBondContact O-CB 3.47Å; A211-E215 PolarHBondContact O-N 3.33Å |
| 212 | K | 77.2 | Confident | 68.8 | Low | 118 Ų | 118 | 94.4 Ų | 94.4 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 174.6 | -74.3 | 169.5 | -177.5 | 170.9 | 0 | 112.9 | T208 K209 N210 N214 E215 I216 | T208-K212 HydrophobicContact CG2-CD 4.25Å; T208-K212 WeakPolarHBondContact O-CB 3.32Å; T208-K212 WeakPolarHBondContact O-CD 3.4Å; T208-K212 VanDerWaalsContact O-CG 3.27Å; T208-K212 WeakPolarHBondContact O-CG 3.35Å; T208-K212 PolarHBondContact O-N 3.49Å; T208-K212 VanDerWaalsContact O-N 3.1Å; K209-K212 PolarHBondContact O-N 3.24Å; N210-K212 PolarHBondContact O-N 3.45Å; K212-N214 VanDerWaalsContact C-N 3.35Å; K212-E215 PolarHBondContact O-N 3.47Å; K212-I216 WeakPolarHBondContact O-CB 3.42Å; K212-I216 WeakPolarHBondContact O-CD1 3.49Å; K212-I216 WeakPolarHBondContact O-CG1 3.4Å; K212-I216 PolarHBondContact O-N 3.38Å |
| 213 | N | 70.6 | Confident | 66.4 | Low | 90 Ų | 90 | 97.2 Ų | 97.2 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.1 | -87.2 | 19.6 | 0 | 0 | 0 | 111.8 | K209 N210 I216 E217 | K209-N213 WeakPolarHBondContact O-CB 3.5Å; K209-N213 PolarHBondContact O-N 3.38Å; N210-N213 PolarHBondContact O-N 3.26Å; N213-I216 PolarHBondContact O-N 3.29Å; N213-E217 WeakPolarHBondContact O-CB 3.48Å; N213-E217 PolarHBondContact O-N 2.93Å |
| 214 | N | 61.2 | Low | 64.2 | Low | 90 Ų | 90 | 107.1 Ų | 107.1 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 176.1 | -155.6 | 99.9 | 0 | 0 | 0 | 111.4 | N210 A211 K212 I216 E217 D218 | N210-N214 WeakPolarHBondContact O-CB 3.43Å; N210-N214 PolarHBondContact O-N 3.28Å; A211-N214 PolarHBondContact O-N 2.99Å; K212-N214 VanDerWaalsContact C-N 3.35Å; N214-I216 VanDerWaalsContact C-N 3.27Å; N214-I216 PolarHBondContact O-N 2.67Å; N214-E217 PolarHBondContact O-N 2.84Å; N214-E217 VanDerWaalsContact O-N 3.16Å; N214-D218 PolarHBondContact ND2-OD2 2.92Å; N214-D218 WeakPolarHBondContact O-CB 3.5Å; N214-D218 VanDerWaalsContact O-CG 3.26Å; N214-D218 PolarHBondContact O-N 2.92Å |
| 215 | E | 55.5 | Low | 61.9 | Low | 134 Ų | 134 | 103.1 Ų | 103.1 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.3 | -37.1 | 172.8 | -176 | -179.1 | -163.9 | 0 | 0 | 112.1 | A211 K212 M219 | A211-E215 WeakPolarHBondContact O-CB 3.47Å; A211-E215 PolarHBondContact O-N 3.33Å; K212-E215 PolarHBondContact O-N 3.47Å; E215-M219 WeakPolarHBondContact O-CG 3.5Å; E215-M219 PolarHBondContact O-N 3.33Å |
| 216 | I | 52.3 | Low | 59.6 | Low | 93 Ų | 93 | 107.3 Ų | 107.3 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.2 | -39.4 | 174.4 | -66.3 | 162.6 | 0 | 0 | 0 | 111.2 | K212 N213 N214 M219 D220 | K212-I216 WeakPolarHBondContact O-CB 3.42Å; K212-I216 WeakPolarHBondContact O-CD1 3.49Å; K212-I216 WeakPolarHBondContact O-CG1 3.4Å; K212-I216 PolarHBondContact O-N 3.38Å; N213-I216 PolarHBondContact O-N 3.29Å; N214-I216 VanDerWaalsContact C-N 3.27Å; N214-I216 PolarHBondContact O-N 2.67Å; I216-M219 CarbonylContact O-C 3.6Å; I216-M219 PolarHBondContact O-N 2.73Å; I216-D220 WeakPolarHBondContact O-CB 3.34Å; I216-D220 PolarHBondContact O-N 3.47Å |
| 217 | E | 50.6 | Low | 57.2 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 52% | 0.523 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.9 | -34.6 | 179.2 | -166.5 | 161.6 | -162.1 | 0 | 0 | 112.5 | N213 N214 M219 D220 Q221 | N213-E217 WeakPolarHBondContact O-CB 3.48Å; N213-E217 PolarHBondContact O-N 2.93Å; N214-E217 PolarHBondContact O-N 2.84Å; N214-E217 VanDerWaalsContact O-N 3.16Å; E217-M219 VanDerWaalsContact C-N 3.26Å; E217-M219 PolarHBondContact O-N 3.37Å; E217-D220 PolarHBondContact O-N 2.84Å; E217-Q221 PolarHBondContact O-N 3.31Å |
| 218 | D | 44.8 | Very low | 54.9 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.2 | -27.7 | 170.4 | -71.2 | -35.5 | 0 | 0 | 0 | 112.1 | N214 | N214-D218 PolarHBondContact ND2-OD2 2.92Å; N214-D218 WeakPolarHBondContact O-CB 3.5Å; N214-D218 VanDerWaalsContact O-CG 3.26Å; N214-D218 PolarHBondContact O-N 2.92Å |
| 219 | M | 44 | Very low | 52.4 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 59% | 0.586 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -86 | -32.2 | 172.4 | -74.9 | -81.8 | 93.6 | 0 | 0 | 113.7 | E215 I216 E217 S223 | E215-M219 WeakPolarHBondContact O-CG 3.5Å; E215-M219 PolarHBondContact O-N 3.33Å; I216-M219 CarbonylContact O-C 3.6Å; I216-M219 PolarHBondContact O-N 2.73Å; E217-M219 VanDerWaalsContact C-N 3.26Å; E217-M219 PolarHBondContact O-N 3.37Å; M219-S223 VanDerWaalsContact O-CB 3.23Å; M219-S223 WeakPolarHBondContact O-CB 3.34Å; M219-S223 PolarHBondContact O-N 2.84Å; M219-S223 VanDerWaalsContact O-N 3.15Å; M219-S223 PolarHBondContact O-OG 3.28Å |
| 220 | D | 45.6 | Very low | 50 | Low | 102 Ų | 102 | 124.7 Ų | 124.7 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -81.2 | -21.4 | -177.6 | -81.6 | -12.3 | 0 | 0 | 0 | 113.2 | I216 E217 | I216-D220 WeakPolarHBondContact O-CB 3.34Å; I216-D220 PolarHBondContact O-N 3.47Å; E217-D220 PolarHBondContact O-N 2.84Å |
| 221 | Q | 43.3 | Very low | 47.9 | Very low | 156 Ų | 156 | 126 Ų | 126 | 73% | 0.729 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -28.4 | 171.4 | -71.6 | -164.3 | 20.2 | 0 | 0 | 113.7 | E217 | E217-Q221 PolarHBondContact O-N 3.31Š|
| 222 | E | 39.8 | Very low | 45.6 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -12.8 | 179 | -158.1 | 157.7 | -129.8 | 0 | 0 | 113.7 | ||
| 223 | S | 37.8 | Very low | 43.8 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 48% | 0.483 | 69% | 0.688 | S | S | . | * | trans | -99.5 | 9.1 | 179.5 | 68 | 0 | 0 | 0 | 0 | 116.1 | M219 G225 | M219-S223 VanDerWaalsContact O-CB 3.23Å; M219-S223 WeakPolarHBondContact O-CB 3.34Å; M219-S223 PolarHBondContact O-N 2.84Å; M219-S223 VanDerWaalsContact O-N 3.15Å; M219-S223 PolarHBondContact O-OG 3.28Å; S223-G225 PolarHBondContact O-N 3.13Å | ||
| 224 | R | 39.8 | Very low | 42 | Very low | 243 Ų | 243 | 132.6 Ų | 132.6 | 92% | 0.917 | 71% | 0.706 | S | S | * | * | trans | -76.9 | 45.6 | 172.1 | -158.1 | -170.4 | 158 | 118.6 | -0.6 | 113.1 | ||||
| 225 | G | 39.8 | Very low | 40.8 | Very low | 50 Ų | 50 | 135.9 Ų | 135.9 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -147.7 | 103.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S223 | S223-G225 PolarHBondContact O-N 3.13Š|
| 226 | E | 42.2 | Very low | 39.8 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 93% | 0.925 | 73% | 0.725 | S | S | * | * | trans | 62.4 | 85.3 | 168.5 | -69.3 | 149.4 | 108.8 | 0 | 0 | 117.2 | ||||
| 227 | Q | 37.4 | Very low | 38.9 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | -99.2 | 110.4 | 138.7 | -87.6 | -169.5 | -7.4 | 0 | 0 | 109.4 | ||||
| 228 | D | 35.9 | Very low | 38.1 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | trans | -148.4 | 111.4 | 147.7 | -107.4 | -24.7 | 0 | 0 | 0 | 109.6 | ||||
| 229 | D | 35.4 | Very low | 37.7 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 82.1 | 146.8 | 149.3 | -146.1 | 14.3 | 0 | 0 | 0 | 122.4 | ||||
| 230 | L | 36.1 | Very low | 37.4 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 69.9 | 114.3 | 166.8 | -50.1 | 179.7 | 0 | 0 | 0 | 119.4 | ||||
| 231 | G | 35.9 | Very low | 36.8 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -105.1 | 173.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 232 | S | 33.5 | Very low | 36.2 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -165.7 | 145.1 | 158.4 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 233 | D | 37.8 | Very low | 35.7 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -58.7 | 144.8 | 164.6 | -57.7 | -60.1 | 0 | 0 | 0 | 111 | ||||
| 234 | T | 33.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 159.6 Ų | 159.6 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -168.6 | 135.7 | 140.6 | 8.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 235 | D | 36.7 | Very low | 35.4 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -74.7 | 165.2 | -179.9 | -62.1 | -80.3 | 0 | 0 | 0 | 115 | ||||
| 236 | A | 34.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 158.2 Ų | 158.2 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | trans | 91.3 | 164.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 237 | W | 32.8 | Very low | 34.7 | Very low | 220 Ų | 220 | 156.5 Ų | 156.5 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | 82.8 | 96.6 | 179.1 | -44.6 | 106.6 | 0 | 0 | 0 | 115.2 | ||||
| 238 | E | 33 | Very low | 34.5 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | 73.3 | 127.4 | 72.3 | -75.8 | -160.4 | 142 | 0 | 0 | 116 | |||||
| 239 | T | 36 | Very low | 34.4 | Very low | 137 Ų | 137 | 153 Ų | 153 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -76.8 | 125.3 | -171.4 | -37.2 | 0 | 0 | 0 | 0 | 113.2 | R241 | T239-R241 PolarHBondContact O-N 2.79Å; T239-R241 VanDerWaalsContact O-N 3.13Å | ||
| 240 | P | 37.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 152.1 Ų | 152.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 106.5 | 176.6 | -22.8 | 35.6 | 0 | 0 | 0 | 113.9 | ||||
| 241 | R | 34 | Very low | 34.3 | Very low | 247 Ų | 247 | 152.8 Ų | 152.8 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -67.4 | 127 | 159.8 | -81.9 | 178.3 | 164.2 | 175.2 | -5 | 109.7 | T239 | T239-R241 PolarHBondContact O-N 2.79Å; T239-R241 VanDerWaalsContact O-N 3.13Å | ||
| 242 | R | 30.5 | Very low | 34.2 | Very low | 208 Ų | 208 | 155 Ų | 155 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -95.1 | 105.4 | 173.5 | -157.1 | 171 | -167.8 | 164.9 | -1.1 | 110.4 | Y244 | R242-Y244 HydrophobicContact CG-CD2 4.45Å; R242-Y244 HydrophobicContact CG-CE2 3.89Å; R242-Y244 PolarHBondContact NE-OH 2.88Å; R242-Y244 PolarHBondContact NH2-OH 3.49Å | ||
| 243 | R | 29.4 | Very low | 34.4 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -114.6 | 138.6 | 171.7 | -170.8 | -170.5 | -136.5 | -120.2 | 2.9 | 107.3 | D245 | R243-D245 WeakPolarHBondContact CD-OD2 3.42Å; R243-D245 IonicContact CZ-OD1 3.88Å; R243-D245 IonicContact CZ-OD2 3.77Å; R243-D245 IonicContact NE-OD1 2.67Å; R243-D245 IonicContact NE-OD2 4Å; R243-D245 IonicContact NH1-OD1 3.71Å; R243-D245 PolarHBondContact NH1-OD1 3.39Å; R243-D245 IonicContact NH1-OD2 3.24Å; R243-D245 PolarHBondContact NH1-OD2 2.9Å | ||
| 244 | Y | 37.8 | Very low | 34.2 | Very low | 189 Ų | 189 | 154.4 Ų | 154.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -127.6 | 128.5 | 163.4 | -71 | -72.3 | 0 | 0 | 0 | 107 | R242 | R242-Y244 HydrophobicContact CG-CD2 4.45Å; R242-Y244 HydrophobicContact CG-CE2 3.89Å; R242-Y244 PolarHBondContact NE-OH 2.88Å; R242-Y244 PolarHBondContact NH2-OH 3.49Å | ||
| 245 | D | 32.7 | Very low | 34.2 | Very low | 91 Ų | 91 | 154.9 Ų | 154.9 | 49% | 0.487 | 77% | 0.771 | S | S | . | * | trans | -111.4 | 147.2 | 175.5 | -65.6 | -60.2 | 0 | 0 | 0 | 108.8 | R243 | R243-D245 WeakPolarHBondContact CD-OD2 3.42Å; R243-D245 IonicContact CZ-OD1 3.88Å; R243-D245 IonicContact CZ-OD2 3.77Å; R243-D245 IonicContact NE-OD1 2.67Å; R243-D245 IonicContact NE-OD2 4Å; R243-D245 IonicContact NH1-OD1 3.71Å; R243-D245 PolarHBondContact NH1-OD1 3.39Å; R243-D245 IonicContact NH1-OD2 3.24Å; R243-D245 PolarHBondContact NH1-OD2 2.9Å | ||
| 246 | E | 34.2 | Very low | 34.1 | Very low | 172 Ų | 172 | 154.1 Ų | 154.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 61.3 | 150.6 | 151.2 | -73.9 | 147.8 | 173.3 | 0 | 0 | 118.8 | ||||
| 247 | E | 34.5 | Very low | 34.2 | Very low | 162 Ų | 162 | 157.6 Ų | 157.6 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | cis | -158.7 | 143.8 | 29 | -139 | 158.9 | -132.8 | 0 | 0 | 110.8 | ||||
| 248 | D | 33.3 | Very low | 34.5 | Very low | 147 Ų | 147 | 154 Ų | 154 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | 34.8 | 144 | 151.7 | -56.2 | -20.8 | 0 | 0 | 0 | 122.8 | ||||
| 249 | D | 32.7 | Very low | 34.8 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | -167.1 | 169.3 | 55.1 | -140.8 | -15.2 | 0 | 0 | 0 | 115.5 | |||||
| 250 | D | 34 | Very low | 34.8 | Very low | 126 Ų | 126 | 154 Ų | 154 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 103.2 | 155.7 | -72.1 | -32.8 | 0 | 0 | 0 | 125.3 | ||||
| 251 | E | 34.9 | Very low | 34.8 | Very low | 167 Ų | 167 | 152.8 Ų | 152.8 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | 76 | 103.7 | 118.5 | -74.8 | -152.5 | 167.3 | 0 | 0 | 125.6 | |||||
| 252 | V | 35.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 44.8 | 129.4 | 130 | -63.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 253 | A | 36.4 | Very low | 35.2 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | -178.4 | 144.2 | 107.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 254 | N | 33.8 | Very low | 35.6 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -91.2 | 153.9 | 169.6 | -64.8 | -73.1 | 0 | 0 | 0 | 111.6 | ||||
| 255 | N | 34.5 | Very low | 35.5 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | -177.5 | 111.9 | 129.9 | -96.6 | -27.2 | 0 | 0 | 0 | 112.3 | |||||
| 256 | D | 34.1 | Very low | 35.6 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | 29.3 | 120.7 | 118.8 | -59.9 | -4.5 | 0 | 0 | 0 | 120.8 | |||||
| 257 | D | 36.3 | Very low | 35.6 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 70.5 | 123 | 115.5 | -146 | 27.8 | 0 | 0 | 0 | 121.2 | |||||
| 258 | D | 38.7 | Very low | 35.6 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -159.2 | 133.3 | 137.6 | -160.7 | 10 | 0 | 0 | 0 | 111.8 | ||||
| 259 | E | 40.4 | Very low | 35.5 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -91.4 | 132 | 171.5 | -60.8 | 178.6 | 132.5 | 0 | 0 | 109.6 | ||||
| 260 | T | 35.5 | Very low | 35.7 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -141.5 | 106.9 | 155.7 | 31.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 261 | A | 38.9 | Very low | 35.4 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -90.2 | 141.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 262 | D | 35.4 | Very low | 35.9 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -145.9 | 115.3 | 164.4 | -138 | -1.2 | 0 | 0 | 0 | 109.7 | ||||
| 263 | E | 36.4 | Very low | 35.8 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -89.6 | 127.6 | 175.1 | -66.9 | 179.2 | 156.4 | 0 | 0 | 109.6 | ||||
| 264 | V | 38.8 | Very low | 35.5 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -144.4 | 97.4 | 162.2 | -82.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 265 | D | 35.2 | Very low | 35.6 | Very low | 162 Ų | 162 | 148.7 Ų | 148.7 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -59.5 | 136.8 | 163.4 | -74.3 | -42.4 | 0 | 0 | 0 | 111.9 | ||||
| 266 | R | 35 | Very low | 35.6 | Very low | 228 Ų | 228 | 152.7 Ų | 152.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -154.2 | 123.7 | 138.6 | -68.9 | -160.3 | 175.6 | 67.1 | 10.9 | 111.8 | ||||
| 267 | D | 34.4 | Very low | 35.5 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -60.7 | 143.1 | 167.5 | -67.4 | -58 | 0 | 0 | 0 | 113.2 | ||||
| 268 | A | 32.5 | Very low | 35.4 | Very low | 93 Ų | 93 | 154.8 Ų | 154.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 176.9 | 99.7 | 127 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 269 | E | 32.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | 43.8 | 129 | 141.5 | -55.6 | -68.1 | -171.8 | 0 | 0 | 123.7 | ||||
| 270 | E | 35.4 | Very low | 35.1 | Very low | 174 Ų | 174 | 158.1 Ų | 158.1 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 82.4 | 147.5 | 137.8 | -149.4 | 160.6 | -145.5 | 0 | 0 | 121.8 | ||||
| 271 | D | 29.4 | Very low | 35.2 | Very low | 137 Ų | 137 | 159.8 Ų | 159.8 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | 71.5 | 87 | 172.5 | -70.4 | -27.5 | 0 | 0 | 0 | 121.6 | ||||
| 272 | V | 44.6 | Very low | 35.2 | Very low | 138 Ų | 138 | 163 Ų | 163 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | 20.8 | 106.4 | 122.7 | -170.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 273 | D | 34.1 | Very low | 35.3 | Very low | 137 Ų | 137 | 158.7 Ų | 158.7 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | 165 | 116.1 | 116.5 | -171.3 | 8.4 | 0 | 0 | 0 | 109 | |||||
| 274 | N | 29.4 | Very low | 35.7 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -148.2 | 85.7 | 174.2 | -90.6 | -50.4 | 0 | 0 | 0 | 111.2 | W276 | N274-W276 PolarHBondContact O-N 3.34Š| ||
| 275 | S | 36.2 | Very low | 35.9 | Very low | 97 Ų | 97 | 156.2 Ų | 156.2 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -16.6 | 113.5 | 141.1 | 161.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 276 | W | 33.2 | Very low | 36.4 | Very low | 234 Ų | 234 | 149.9 Ų | 149.9 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | trans | -130.5 | 96.1 | 153 | -79 | 91.6 | 0 | 0 | 0 | 109.6 | N274 | N274-W276 PolarHBondContact O-N 3.34Š| ||
| 277 | D | 32.3 | Very low | 36.9 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -63.8 | 152 | 158.3 | -105.4 | -48.9 | 0 | 0 | 0 | 110 | ||||
| 278 | K | 34 | Very low | 37.7 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | trans | 73.7 | 123.7 | 171 | -126.8 | 169.5 | -179.7 | -178 | 0 | 113.4 | ||||
| 279 | E | 29.6 | Very low | 38.6 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | cis | -113.3 | 139.3 | 32.1 | -73.3 | 166.7 | 141.7 | 0 | 0 | 115.7 | E281 | E279-E281 PolarHBondContact O-N 3.21Š| ||
| 280 | K | 43.3 | Very low | 39.7 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 91% | 0.913 | 70% | 0.701 | S | S | * | * | trans | -81.4 | 89.2 | 153.5 | -70.6 | 178.6 | 176 | -178.3 | 0 | 107.5 | ||||
| 281 | E | 39 | Very low | 41 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -88.9 | 109.1 | 151.3 | -80.8 | -158.9 | 146.6 | 0 | 0 | 108.1 | E279 | E279-E281 PolarHBondContact O-N 3.21Š| ||
| 282 | E | 39 | Very low | 42.7 | Very low | 166 Ų | 166 | 124.2 Ų | 124.2 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | trans | 37.6 | 93.9 | 156.9 | -60.3 | -175.8 | 159 | 0 | 0 | 116 | N284 | E282-N284 PolarHBondContact O-N 3.17Š| ||
| 283 | G | 37.4 | Very low | 43.8 | Very low | 69 Ų | 69 | 122.4 Ų | 122.4 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | trans | -50.2 | 119.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | E285 | G283-E285 PolarHBondContact O-N 2.9Š| ||
| 284 | N | 44.5 | Very low | 45.5 | Very low | 73 Ų | 73 | 120 Ų | 120 | 39% | 0.39 | 61% | 0.61 | S | S | . | * | trans | -73.5 | 55.4 | 178.2 | -169 | 104.1 | 0 | 0 | 0 | 109.5 | E282 V286 Y302 | E282-N284 PolarHBondContact O-N 3.17Å; N284-V286 PolarHBondContact O-N 2.99Å; N284-Y302 VanDerWaalsContact CG-OH 3.23Å; N284-Y302 PolarHBondContact ND2-OH 3.1Å; N284-Y302 PolarHBondContact OD1-OH 2.75Å | ||
| 285 | E | 42.4 | Very low | 47.9 | Very low | 185 Ų | 185 | 113.2 Ų | 113.2 | 86% | 0.864 | 57% | 0.573 | S | S | * | * | trans | -70.1 | 79.6 | 165.4 | -70.8 | -174.2 | 164.8 | 0 | 0 | 106.8 | G283 N287 | G283-E285 PolarHBondContact O-N 2.9Å; E285-N287 PolarHBondContact O-N 2.81Å; E285-N287 VanDerWaalsContact O-N 3.1Å | ||
| 286 | V | 46.3 | Very low | 49.7 | Very low | 30 Ų | 30 | 113.7 Ų | 113.7 | 18% | 0.182 | 57% | 0.565 | C | S | . | * | trans | -48.5 | 117.7 | 163.6 | -85.6 | 0 | 0 | 0 | 0 | 107.9 | N284 P288 L292 Q293 | N284-V286 PolarHBondContact O-N 2.99Å; V286-P288 VanDerWaalsContact O-N 3.13Å; V286-L292 HydrophobicContact CG1-CB 3.93Å; V286-L292 HydrophobicContact CG1-CD1 4.41Å; V286-Q293 HydrophobicContact CG2-CG 3.66Å | ||
| 287 | N | 46 | Very low | 51.9 | Low | 79 Ų | 79 | 110.9 Ų | 110.9 | 42% | 0.422 | 56% | 0.555 | S | S | . | * | trans | -49.5 | 124.4 | 172.7 | 178.7 | 3.8 | 0 | 0 | 0 | 107.1 | E285 E289 D290 | E285-N287 PolarHBondContact O-N 2.81Å; E285-N287 VanDerWaalsContact O-N 3.1Å; N287-E289 PolarHBondContact ND2-OE2 3.44Å; N287-E289 PolarHBondContact O-N 3.35Å; N287-E289 PolarHBondContact OD1-N 3.36Å; N287-D290 WeakPolarHBondContact O-CB 3.39Å; N287-D290 PolarHBondContact O-N 2.89Å | ||
| 288 | P | 51.3 | Low | 54.5 | Low | 100 Ų | 100 | 105 Ų | 105 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -54.5 | -23 | -179 | 19 | -33 | 0 | 0 | 0 | 113.7 | V286 | V286-P288 VanDerWaalsContact O-N 3.13Š|
| 289 | E | 49.6 | Very low | 56.9 | Low | 170 Ų | 170 | 100.1 Ų | 100.1 | 79% | 0.794 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -68.9 | -29.1 | 175.2 | -59.4 | 175.5 | 144.6 | 0 | 0 | 113.8 | N287 G291 | N287-E289 PolarHBondContact ND2-OE2 3.44Å; N287-E289 PolarHBondContact O-N 3.35Å; N287-E289 PolarHBondContact OD1-N 3.36Å; E289-G291 PolarHBondContact O-N 2.96Å |
| 290 | D | 57.3 | Low | 59.7 | Low | 65 Ų | 65 | 94.5 Ų | 94.5 | 35% | 0.348 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -72.6 | -15.6 | -178.4 | -145.5 | -28.8 | 0 | 0 | 0 | 111.9 | N287 L292 R317 | N287-D290 WeakPolarHBondContact O-CB 3.39Å; N287-D290 PolarHBondContact O-N 2.89Å; D290-L292 HydrophobicContact CB-CD1 4.47Å; D290-L292 HydrophobicContact CB-CG 4.2Å; D290-L292 PolarHBondContact O-N 3.33Å; D290-R317 IonicContact OD1-CZ 2.72Å; D290-R317 IonicContact OD1-NH2 2.66Å; D290-R317 PolarHBondContact OD1-NH2 3.36Å; D290-R317 IonicContact OD2-CZ 3.63Å; D290-R317 IonicContact OD2-NH2 3.88Å; D290-R317 PolarHBondContact OD2-NH2 2.83Å |
| 291 | G | 61.2 | Low | 61.8 | Low | 22 Ų | 22 | 84.5 Ų | 84.5 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | trans | 59 | 20.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E289 Q293 K325 | E289-G291 PolarHBondContact O-N 2.96Å; G291-Q293 VanDerWaalsContact C-N 3.33Å; G291-K325 WeakPolarHBondContact O-CE 3.46Å; G291-K325 PolarHBondContact O-NZ 3.5Å | ||
| 292 | L | 66.4 | Low | 64.1 | Low | 8 Ų | 8 | 78.8 Ų | 78.8 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | trans | -82.1 | -3.6 | -176.6 | -70.4 | -175.2 | 0 | 0 | 0 | 114.5 | V286 D290 D294 L295 Q296 Y302 L305 I321 | V286-L292 HydrophobicContact CG1-CB 3.93Å; V286-L292 HydrophobicContact CG1-CD1 4.41Å; D290-L292 HydrophobicContact CB-CD1 4.47Å; D290-L292 HydrophobicContact CB-CG 4.2Å; D290-L292 PolarHBondContact O-N 3.33Å; L292-D294 PolarHBondContact O-N 2.98Å; L292-L295 HydrophobicContact CD2-CD1 3.79Å; L292-L295 CarbonylContact O-C 3.58Å; L292-L295 WeakPolarHBondContact O-CA 3.48Å; L292-L295 WeakPolarHBondContact O-CB 3.42Å; L292-L295 PolarHBondContact O-N 2.96Å; L292-Q296 PolarHBondContact O-N 2.85Å; L292-Y302 HydrophobicContact CD1-CE2 4.33Å; L292-L305 HydrophobicContact CD2-CD1 3.74Å; L292-I321 HydrophobicContact CD2-CD1 3.52Å; L292-I321 HydrophobicContact CD2-CG1 3.72Å | ||
| 293 | Q | 68.3 | Low | 66.3 | Low | 99 Ų | 99 | 78.8 Ų | 78.8 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -58.8 | -46.7 | -173.7 | -67.1 | 167.1 | 6.4 | 0 | 0 | 112.2 | V286 G291 L295 Q296 | V286-Q293 HydrophobicContact CG2-CG 3.66Å; G291-Q293 VanDerWaalsContact C-N 3.33Å; Q293-L295 PolarHBondContact O-N 3.31Å; Q293-L295 VanDerWaalsContact O-N 3.17Å; Q293-Q296 WeakPolarHBondContact O-CB 3.2Å; Q293-Q296 PolarHBondContact O-N 3.18Å |
| 294 | D | 69.6 | Low | 68.6 | Low | 88 Ų | 88 | 75.9 Ų | 75.9 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -64.5 | -17.8 | 174.6 | -70.7 | -17.4 | 0 | 0 | 0 | 113.4 | L292 | L292-D294 PolarHBondContact O-N 2.98Š|
| 295 | L | 78.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -95.3 | -9.3 | -176.8 | -62 | 171.5 | 0 | 0 | 0 | 113.2 | L292 Q293 Y297 F298 F301 L305 I321 M324 I328 | L292-L295 HydrophobicContact CD2-CD1 3.79Å; L292-L295 CarbonylContact O-C 3.58Å; L292-L295 WeakPolarHBondContact O-CA 3.48Å; L292-L295 WeakPolarHBondContact O-CB 3.42Å; L292-L295 PolarHBondContact O-N 2.96Å; Q293-L295 PolarHBondContact O-N 3.31Å; Q293-L295 VanDerWaalsContact O-N 3.17Å; L295-Y297 PolarHBondContact O-N 3.43Å; L295-F298 HydrophobicContact CD2-CD2 4.18Å; L295-F298 PolarHBondContact O-N 3.09Å; L295-F298 VanDerWaalsContact O-N 3.09Å; L295-F301 HydrophobicContact CD1-CE1 3.94Å; L295-F301 HydrophobicContact CD2-CD1 4.11Å; L295-F301 HydrophobicContact CD2-CE1 3.85Å; L295-F301 HydrophobicContact CG-CE1 4.37Å; L295-L305 HydrophobicContact CD1-CD1 4.16Å; L295-I321 HydrophobicContact CD1-CB 4.14Å; L295-I321 HydrophobicContact CD1-CG1 3.87Å; L295-I321 HydrophobicContact CD1-CG2 3.88Å; L295-M324 HydrophobicContact CD2-CB 3.83Å; L295-M324 HydrophobicContact CD2-CG 3.49Å; L295-M324 VanDerWaalsContact CD2-CG 3.49Å; L295-I328 HydrophobicContact CD2-CD1 3.9Å |
| 296 | Q | 75.1 | Confident | 72.5 | Confident | 107 Ų | 107 | 70.1 Ų | 70.1 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26 | 173.4 | -169.4 | 176.5 | 40.6 | 0 | 0 | 112.5 | L292 Q293 F298 | L292-Q296 PolarHBondContact O-N 2.85Å; Q293-Q296 WeakPolarHBondContact O-CB 3.2Å; Q293-Q296 PolarHBondContact O-N 3.18Å; Q296-F298 PolarHBondContact O-N 3.25Å |
| 297 | Y | 78.3 | Confident | 74.2 | Confident | 176 Ų | 176 | 72.1 Ų | 72.1 | 69% | 0.69 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -1.3 | 176.9 | -57 | -72.8 | 0 | 0 | 0 | 114.2 | L295 | L295-Y297 PolarHBondContact O-N 3.43Š|
| 298 | F | 86.9 | Confident | 75.8 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 10% | 0.096 | 34% | 0.342 | C | S | . | . | trans | -120.4 | 88.2 | -177.9 | -60.9 | -63.8 | 0 | 0 | 0 | 110.8 | L295 Q296 N300 F301 Y302 M324 I328 L349 D353 | L295-F298 HydrophobicContact CD2-CD2 4.18Å; L295-F298 PolarHBondContact O-N 3.09Å; L295-F298 VanDerWaalsContact O-N 3.09Å; Q296-F298 PolarHBondContact O-N 3.25Å; F298-N300 PolarHBondContact O-N 2.92Å; F298-F301 HydrophobicContact CB-CB 4.07Å; F298-F301 PolarHBondContact O-N 3.46Å; F298-Y302 VanDerWaalsContact O-CB 3.25Å; F298-Y302 WeakPolarHBondContact O-CB 3.07Å; F298-Y302 PolarHBondContact O-N 3.24Å; F298-M324 HydrophobicContact CB-CE 4.24Å; F298-M324 HydrophobicContact CD1-CE 3.55Å; F298-M324 HydrophobicContact CD2-CE 3.72Å; F298-M324 HydrophobicContact CE1-CE 3.82Å; F298-M324 HydrophobicContact CE2-CE 3.99Å; F298-M324 HydrophobicContact CG-CE 3.51Å; F298-M324 HydrophobicContact CZ-CE 4.02Å; F298-I328 HydrophobicContact CD2-CD1 4.17Å; F298-I328 HydrophobicContact CE2-CD1 3.43Å; F298-I328 VanDerWaalsContact CE2-CD1 3.43Å; F298-I328 HydrophobicContact CE2-CG1 3.92Å; F298-I328 HydrophobicContact CZ-CD1 4.13Å; F298-I328 HydrophobicContact CZ-CG1 4.1Å; F298-L349 HydrophobicContact CE1-CB 3.63Å; F298-L349 HydrophobicContact CZ-CB 4Å; F298-L349 HydrophobicContact CZ-CD1 4.19Å; F298-D353 VanDerWaalsContact C-OD1 3.23Å; F298-D353 HydrophobicContact CB-CB 4.15Å; F298-D353 WeakPolarHBondContact CB-OD1 3.2Å; F298-D353 HydrophobicContact CD1-CB 3.95Å; F298-D353 HydrophobicContact CG-CB 4.45Å | ||
| 299 | P | 85.8 | Confident | 76.7 | Confident | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.1 | -33.3 | -165.6 | -24.2 | 35.1 | 0 | 0 | 0 | 114.9 | R303 | P299-R303 WeakPolarHBondContact O-CB 3.05Å; P299-R303 PolarHBondContact O-N 3.46Å |
| 300 | N | 88.1 | Confident | 78.1 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -78.2 | -38.4 | -177.9 | -63.2 | -76.4 | 0 | 0 | 0 | 111.3 | F298 R303 L304 D353 A357 | F298-N300 PolarHBondContact O-N 2.92Å; N300-R303 PolarHBondContact OD1-NH2 3.47Å; N300-L304 PolarHBondContact O-N 2.72Å; N300-D353 WeakPolarHBondContact CB-OD2 3.31Å; N300-D353 PolarHBondContact N-OD1 2.94Å; N300-D353 VanDerWaalsContact N-OD1 3.08Å; N300-D353 PolarHBondContact N-OD2 3.21Å; N300-D353 PolarHBondContact ND2-OD2 3.4Å; N300-A357 HydrophobicContact CB-CB 3.51Å |
| 301 | F | 87.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.8 | -42.2 | 177.2 | -175.2 | -106 | 0 | 0 | 0 | 111.5 | L295 F298 R303 L304 L305 L320 M324 D353 I356 | L295-F301 HydrophobicContact CD1-CE1 3.94Å; L295-F301 HydrophobicContact CD2-CD1 4.11Å; L295-F301 HydrophobicContact CD2-CE1 3.85Å; L295-F301 HydrophobicContact CG-CE1 4.37Å; F298-F301 HydrophobicContact CB-CB 4.07Å; F298-F301 PolarHBondContact O-N 3.46Å; F301-R303 VanDerWaalsContact C-N 3.31Å; F301-R303 PolarHBondContact O-N 2.86Å; F301-L304 HydrophobicContact CD2-CD2 4.15Å; F301-L304 HydrophobicContact CE2-CD2 4.33Å; F301-L304 WeakPolarHBondContact O-CA 3.42Å; F301-L304 WeakPolarHBondContact O-CB 3.49Å; F301-L304 PolarHBondContact O-N 3.01Å; F301-L304 VanDerWaalsContact O-N 3.08Å; F301-L305 HydrophobicContact CD1-CD1 3.96Å; F301-L305 HydrophobicContact CD1-CG 4.39Å; F301-L305 HydrophobicContact CE1-CD1 3.52Å; F301-L305 HydrophobicContact CE1-CD2 4.37Å; F301-L305 HydrophobicContact CE1-CG 4.06Å; F301-L305 HydrophobicContact CZ-CD1 4.03Å; F301-L305 HydrophobicContact CZ-CD2 4.02Å; F301-L305 HydrophobicContact CZ-CG 4.15Å; F301-L305 WeakPolarHBondContact O-CG 3.28Å; F301-L305 PolarHBondContact O-N 3.05Å; F301-L320 HydrophobicContact CE2-CB 3.92Å; F301-L320 HydrophobicContact CE2-CD2 4.22Å; F301-L320 HydrophobicContact CZ-CB 3.85Å; F301-L320 WeakPolarHBondContact CZ-O 3.31Å; F301-M324 HydrophobicContact CD1-CB 4.21Å; F301-M324 HydrophobicContact CD1-CG 3.93Å; F301-M324 HydrophobicContact CE1-CB 3.53Å; F301-M324 HydrophobicContact CE1-CG 3.77Å; F301-M324 HydrophobicContact CE2-CB 4.3Å; F301-M324 HydrophobicContact CG-CG 4.47Å; F301-M324 HydrophobicContact CZ-CB 3.61Å; F301-M324 HydrophobicContact CZ-CG 4.21Å; F301-D353 WeakPolarHBondContact CB-OD1 3.36Å; F301-D353 PolarHBondContact N-OD1 2.93Å; F301-I356 HydrophobicContact CD2-CB 4.36Å; F301-I356 HydrophobicContact CD2-CG2 3.72Å; F301-I356 HydrophobicContact CE2-CG2 3.7Å |
| 302 | Y | 85.9 | Confident | 79 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 18% | 0.184 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 171.9 | -170.7 | -101.4 | 0 | 0 | 0 | 111.7 | N284 L292 F298 L304 L305 K306 | N284-Y302 VanDerWaalsContact CG-OH 3.23Å; N284-Y302 PolarHBondContact ND2-OH 3.1Å; N284-Y302 PolarHBondContact OD1-OH 2.75Å; L292-Y302 HydrophobicContact CD1-CE2 4.33Å; F298-Y302 VanDerWaalsContact O-CB 3.25Å; F298-Y302 WeakPolarHBondContact O-CB 3.07Å; F298-Y302 PolarHBondContact O-N 3.24Å; Y302-L304 VanDerWaalsContact C-N 3.34Å; Y302-L304 PolarHBondContact O-N 2.98Å; Y302-L305 PolarHBondContact O-N 3.41Å; Y302-K306 PolarHBondContact O-N 2.86Å |
| 303 | R | 85.3 | Confident | 79.6 | Confident | 166 Ų | 166 | 78.3 Ų | 78.3 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.3 | -32.7 | 173.9 | -174.3 | 177.9 | 59.9 | -171.3 | -9.5 | 113 | P299 N300 F301 S307 | P299-R303 WeakPolarHBondContact O-CB 3.05Å; P299-R303 PolarHBondContact O-N 3.46Å; N300-R303 PolarHBondContact OD1-NH2 3.47Å; F301-R303 VanDerWaalsContact C-N 3.31Å; F301-R303 PolarHBondContact O-N 2.86Å; R303-S307 PolarHBondContact O-N 3.1Å; R303-S307 PolarHBondContact O-OG 3.07Å |
| 304 | L | 86.6 | Confident | 80.2 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 172 | 172.2 | 74 | 0 | 0 | 0 | 110.5 | N300 F301 Y302 K306 S307 L308 L320 T360 K361 | N300-L304 PolarHBondContact O-N 2.72Å; F301-L304 HydrophobicContact CD2-CD2 4.15Å; F301-L304 HydrophobicContact CE2-CD2 4.33Å; F301-L304 WeakPolarHBondContact O-CA 3.42Å; F301-L304 WeakPolarHBondContact O-CB 3.49Å; F301-L304 PolarHBondContact O-N 3.01Å; F301-L304 VanDerWaalsContact O-N 3.08Å; Y302-L304 VanDerWaalsContact C-N 3.34Å; Y302-L304 PolarHBondContact O-N 2.98Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.26Å; L304-S307 WeakPolarHBondContact CA-OG 3.04Å; L304-S307 CarbonylContact O-C 3.53Å; L304-S307 WeakPolarHBondContact O-CA 3.35Å; L304-S307 PolarHBondContact O-N 3.31Å; L304-S307 PolarHBondContact O-OG 3.34Å; L304-L308 HydrophobicContact CD1-CD1 4.15Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.03Å; L304-L320 HydrophobicContact CD2-CD1 4.06Å; L304-L320 HydrophobicContact CD2-CD2 4.44Å; L304-T360 HydrophobicContact CD1-CG2 4.14Å; L304-T360 HydrophobicContact CD2-CG2 3.87Å; L304-K361 HydrophobicContact CD1-CB 4.37Å |
| 305 | L | 85.8 | Confident | 80.7 | Confident | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 178.9 | -64.2 | 175.2 | 0 | 0 | 0 | 111.7 | L292 L295 F301 Y302 S307 L308 R317 L320 I321 | L292-L305 HydrophobicContact CD2-CD1 3.74Å; L295-L305 HydrophobicContact CD1-CD1 4.16Å; F301-L305 HydrophobicContact CD1-CD1 3.96Å; F301-L305 HydrophobicContact CD1-CG 4.39Å; F301-L305 HydrophobicContact CE1-CD1 3.52Å; F301-L305 HydrophobicContact CE1-CD2 4.37Å; F301-L305 HydrophobicContact CE1-CG 4.06Å; F301-L305 HydrophobicContact CZ-CD1 4.03Å; F301-L305 HydrophobicContact CZ-CD2 4.02Å; F301-L305 HydrophobicContact CZ-CG 4.15Å; F301-L305 WeakPolarHBondContact O-CG 3.28Å; F301-L305 PolarHBondContact O-N 3.05Å; Y302-L305 PolarHBondContact O-N 3.41Å; L305-S307 PolarHBondContact O-N 3.13Å; L305-L308 CarbonylContact O-C 3.52Å; L305-L308 PolarHBondContact O-N 3.37Å; L305-L308 VanDerWaalsContact O-N 3.09Å; L305-R317 HydrophobicContact CD2-CB 4.48Å; L305-R317 HydrophobicContact CD2-CG 3.82Å; L305-L320 HydrophobicContact CD2-CB 3.93Å; L305-L320 HydrophobicContact CD2-CD1 4.38Å; L305-I321 HydrophobicContact CD1-CD1 4.41Å; L305-I321 HydrophobicContact CD1-CG1 3.74Å; L305-I321 HydrophobicContact CD2-CG1 3.98Å |
| 306 | K | 82.9 | Confident | 80.9 | Confident | 135 Ų | 135 | 82.5 Ų | 82.5 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.7 | -17 | 173.1 | -172 | 164.6 | -177.2 | 169.7 | 0 | 113.6 | Y302 L304 | Y302-K306 PolarHBondContact O-N 2.86Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.26Å |
| 307 | S | 82 | Confident | 81.4 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5 | 171.4 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | R303 L304 L305 | R303-S307 PolarHBondContact O-N 3.1Å; R303-S307 PolarHBondContact O-OG 3.07Å; L304-S307 WeakPolarHBondContact CA-OG 3.04Å; L304-S307 CarbonylContact O-C 3.53Å; L304-S307 WeakPolarHBondContact O-CA 3.35Å; L304-S307 PolarHBondContact O-N 3.31Å; L304-S307 PolarHBondContact O-OG 3.34Å; L305-S307 PolarHBondContact O-N 3.13Å |
| 308 | L | 80.3 | Confident | 81.8 | Confident | 9 Ų | 9 | 78 Ų | 78 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | trans | -121.4 | 51.4 | 175.6 | -64.4 | 170.6 | 0 | 0 | 0 | 108.2 | L304 L305 D313 R317 L320 L364 | L304-L308 HydrophobicContact CD1-CD1 4.15Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 3.03Å; L305-L308 CarbonylContact O-C 3.52Å; L305-L308 PolarHBondContact O-N 3.37Å; L305-L308 VanDerWaalsContact O-N 3.09Å; L308-D313 HydrophobicContact CB-CB 4Å; L308-D313 HydrophobicContact CD2-CB 3.98Å; L308-R317 HydrophobicContact CB-CB 4.48Å; L308-L320 HydrophobicContact CD1-CD1 3.49Å; L308-L320 VanDerWaalsContact CD1-CD1 3.49Å; L308-L364 HydrophobicContact CD1-CD1 3.94Å; L308-L364 HydrophobicContact CD2-CD1 3.67Å; L308-L364 HydrophobicContact CG-CD1 4.48Å | ||
| 309 | D | 70.2 | Confident | 81.7 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 67% | 0.674 | 41% | 0.405 | S | S | * | . | trans | -94.4 | -4 | -178.3 | 61.1 | -21.6 | 0 | 0 | 0 | 113.3 | ||||
| 310 | S | 77.8 | Confident | 81.9 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -67.6 | 142.7 | 169.8 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | Q312 D313 A314 | S310-Q312 PolarHBondContact O-N 3.12Å; S310-Q312 PolarHBondContact OG-N 2.83Å; S310-D313 WeakPolarHBondContact O-CA 3.44Å; S310-D313 PolarHBondContact O-N 3.11Å; S310-A314 PolarHBondContact O-N 3.21Å |
| 311 | E | 68.9 | Low | 81.9 | Confident | 186 Ų | 186 | 74.8 Ų | 74.8 | 87% | 0.869 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -60.9 | -29.2 | 175.9 | -171.8 | 168.7 | -164.8 | 0 | 0 | 112.5 | D313 A314 | E311-D313 PolarHBondContact O-N 2.92Å; E311-A314 WeakPolarHBondContact O-CB 3.16Å; E311-A314 PolarHBondContact O-N 3.28Å |
| 312 | Q | 68.9 | Low | 81.9 | Confident | 164 Ų | 164 | 78.7 Ų | 78.7 | 77% | 0.766 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -64.8 | -28.6 | 172 | -178.4 | 174.1 | -18.7 | 0 | 0 | 112.8 | S310 | S310-Q312 PolarHBondContact O-N 3.12Å; S310-Q312 PolarHBondContact OG-N 2.83Å |
| 313 | D | 78.8 | Confident | 82 | Confident | 34 Ų | 34 | 80.1 Ų | 80.1 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -98.7 | -3 | -174.2 | -56.3 | -22.5 | 0 | 0 | 0 | 112.1 | L308 S310 E311 Q315 E316 R317 | L308-D313 HydrophobicContact CB-CB 4Å; L308-D313 HydrophobicContact CD2-CB 3.98Å; S310-D313 WeakPolarHBondContact O-CA 3.44Å; S310-D313 PolarHBondContact O-N 3.11Å; E311-D313 PolarHBondContact O-N 2.92Å; D313-Q315 VanDerWaalsContact C-N 3.34Å; D313-Q315 PolarHBondContact O-N 2.83Å; D313-E316 PolarHBondContact O-N 2.66Å; D313-R317 WeakPolarHBondContact O-CB 3.48Å; D313-R317 PolarHBondContact O-N 2.84Å |
| 314 | A | 80.1 | Confident | 82.1 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.5 | -43.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S310 E311 E316 R317 E318 | S310-A314 PolarHBondContact O-N 3.21Å; E311-A314 WeakPolarHBondContact O-CB 3.16Å; E311-A314 PolarHBondContact O-N 3.28Å; A314-E316 VanDerWaalsContact C-N 3.33Å; A314-E316 PolarHBondContact O-N 3.33Å; A314-R317 WeakPolarHBondContact O-CB 3.34Å; A314-R317 PolarHBondContact O-N 3.48Å; A314-E318 WeakPolarHBondContact O-CG 3.43Å; A314-E318 PolarHBondContact O-N 3.43Å |
| 315 | Q | 81.3 | Confident | 82.2 | Confident | 152 Ų | 152 | 74.9 Ų | 74.9 | 71% | 0.71 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.5 | -36.5 | 176.1 | -173.1 | -179.6 | 11.1 | 0 | 0 | 112.2 | D313 T319 | D313-Q315 VanDerWaalsContact C-N 3.34Å; D313-Q315 PolarHBondContact O-N 2.83Å; Q315-T319 WeakPolarHBondContact O-CB 3.4Å; Q315-T319 PolarHBondContact O-N 2.86Å; Q315-T319 PolarHBondContact O-OG1 2.79Å |
| 316 | E | 82.8 | Confident | 82.3 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.3 | -39.2 | 177.7 | -58.7 | -162.6 | 149.7 | 0 | 0 | 111 | D313 A314 T319 L320 L364 | D313-E316 PolarHBondContact O-N 2.66Å; A314-E316 VanDerWaalsContact C-N 3.33Å; A314-E316 PolarHBondContact O-N 3.33Å; E316-T319 PolarHBondContact O-N 3.05Å; E316-L320 WeakPolarHBondContact O-CB 3.39Å; E316-L320 WeakPolarHBondContact O-CD1 3.35Å; E316-L320 WeakPolarHBondContact O-CG 3.29Å; E316-L320 PolarHBondContact O-N 3.48Å; E316-L364 WeakPolarHBondContact OE2-CD1 3.26Å; E316-L364 WeakPolarHBondContact OE2-CD2 3.46Å |
| 317 | R | 84.7 | Confident | 82.6 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.4 | -50.4 | 173 | -177.2 | -173.9 | 158.1 | 178.9 | -6.1 | 111.4 | D290 L305 L308 D313 A314 T319 L320 I321 | D290-R317 IonicContact OD1-CZ 2.72Å; D290-R317 IonicContact OD1-NH2 2.66Å; D290-R317 PolarHBondContact OD1-NH2 3.36Å; D290-R317 IonicContact OD2-CZ 3.63Å; D290-R317 IonicContact OD2-NH2 3.88Å; D290-R317 PolarHBondContact OD2-NH2 2.83Å; L305-R317 HydrophobicContact CD2-CB 4.48Å; L305-R317 HydrophobicContact CD2-CG 3.82Å; L308-R317 HydrophobicContact CB-CB 4.48Å; D313-R317 WeakPolarHBondContact O-CB 3.48Å; D313-R317 PolarHBondContact O-N 2.84Å; A314-R317 WeakPolarHBondContact O-CB 3.34Å; A314-R317 PolarHBondContact O-N 3.48Å; R317-T319 PolarHBondContact O-N 3.35Å; R317-L320 PolarHBondContact O-N 3.06Å; R317-I321 HydrophobicContact CG-CD1 4.01Å; R317-I321 WeakPolarHBondContact O-CB 3.45Å; R317-I321 WeakPolarHBondContact O-CD1 3.27Å; R317-I321 WeakPolarHBondContact O-CG1 3.37Å; R317-I321 PolarHBondContact O-N 3.28Å |
| 318 | E | 86.1 | Confident | 82.9 | Confident | 130 Ų | 130 | 72 Ų | 72 | 61% | 0.607 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 174.4 | -74 | -178.1 | 176.6 | 0 | 0 | 112.8 | A314 I321 T322 | A314-E318 WeakPolarHBondContact O-CG 3.43Å; A314-E318 PolarHBondContact O-N 3.43Å; E318-I321 PolarHBondContact O-N 3.22Å; E318-T322 WeakPolarHBondContact O-CB 3.41Å; E318-T322 PolarHBondContact O-N 3.01Å; E318-T322 PolarHBondContact O-OG1 3.44Å |
| 319 | T | 86.8 | Confident | 83.4 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.5 | -61.4 | 0 | 0 | 0 | 0 | 111 | Q315 E316 R317 T322 I323 | Q315-T319 WeakPolarHBondContact O-CB 3.4Å; Q315-T319 PolarHBondContact O-N 2.86Å; Q315-T319 PolarHBondContact O-OG1 2.79Å; E316-T319 PolarHBondContact O-N 3.05Å; R317-T319 PolarHBondContact O-N 3.35Å; T319-T322 PolarHBondContact O-N 3.34Å; T319-I323 HydrophobicContact CG2-CD1 3.97Å; T319-I323 VanDerWaalsContact O-CG1 3.29Å; T319-I323 WeakPolarHBondContact O-CG1 3.31Å; T319-I323 PolarHBondContact O-N 3.32Å |
| 320 | L | 88.8 | Confident | 84.3 | Confident | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.8 | -74.5 | 163.5 | 0 | 0 | 0 | 111.3 | F301 L304 L305 L308 E316 R317 T322 I323 M324 I356 T360 | F301-L320 HydrophobicContact CE2-CB 3.92Å; F301-L320 HydrophobicContact CE2-CD2 4.22Å; F301-L320 HydrophobicContact CZ-CB 3.85Å; F301-L320 WeakPolarHBondContact CZ-O 3.31Å; L304-L320 HydrophobicContact CD2-CD1 4.06Å; L304-L320 HydrophobicContact CD2-CD2 4.44Å; L305-L320 HydrophobicContact CD2-CB 3.93Å; L305-L320 HydrophobicContact CD2-CD1 4.38Å; L308-L320 HydrophobicContact CD1-CD1 3.49Å; L308-L320 VanDerWaalsContact CD1-CD1 3.49Å; E316-L320 WeakPolarHBondContact O-CB 3.39Å; E316-L320 WeakPolarHBondContact O-CD1 3.35Å; E316-L320 WeakPolarHBondContact O-CG 3.29Å; E316-L320 PolarHBondContact O-N 3.48Å; R317-L320 PolarHBondContact O-N 3.06Å; L320-T322 VanDerWaalsContact C-N 3.26Å; L320-T322 PolarHBondContact O-N 3.44Å; L320-I323 PolarHBondContact O-N 3.25Å; L320-M324 PolarHBondContact O-N 3.49Å; L320-I356 HydrophobicContact CD2-CG2 4Å; L320-T360 HydrophobicContact CD1-CG2 3.82Å; L320-T360 HydrophobicContact CD2-CG2 4Å |
| 321 | I | 87.4 | Confident | 84.9 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53.9 | -46.1 | 176 | -72.4 | 162 | 0 | 0 | 0 | 110.4 | L292 L295 L305 R317 E318 M324 K325 | L292-I321 HydrophobicContact CD2-CD1 3.52Å; L292-I321 HydrophobicContact CD2-CG1 3.72Å; L295-I321 HydrophobicContact CD1-CB 4.14Å; L295-I321 HydrophobicContact CD1-CG1 3.87Å; L295-I321 HydrophobicContact CD1-CG2 3.88Å; L305-I321 HydrophobicContact CD1-CD1 4.41Å; L305-I321 HydrophobicContact CD1-CG1 3.74Å; L305-I321 HydrophobicContact CD2-CG1 3.98Å; R317-I321 HydrophobicContact CG-CD1 4.01Å; R317-I321 WeakPolarHBondContact O-CB 3.45Å; R317-I321 WeakPolarHBondContact O-CD1 3.27Å; R317-I321 WeakPolarHBondContact O-CG1 3.37Å; R317-I321 PolarHBondContact O-N 3.28Å; E318-I321 PolarHBondContact O-N 3.22Å; I321-M324 PolarHBondContact O-N 3.44Å; I321-K325 HydrophobicContact CG2-CD 3.97Å; I321-K325 WeakPolarHBondContact O-CB 3.45Å; I321-K325 WeakPolarHBondContact O-CG 3.24Å; I321-K325 PolarHBondContact O-N 3.21Å |
| 322 | T | 89.5 | Confident | 85.9 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 178.7 | -58 | 0 | 0 | 0 | 0 | 111.6 | E318 T319 L320 M324 K325 T326 | E318-T322 WeakPolarHBondContact O-CB 3.41Å; E318-T322 PolarHBondContact O-N 3.01Å; E318-T322 PolarHBondContact O-OG1 3.44Å; T319-T322 PolarHBondContact O-N 3.34Å; L320-T322 VanDerWaalsContact C-N 3.26Å; L320-T322 PolarHBondContact O-N 3.44Å; T322-M324 PolarHBondContact O-N 3.4Å; T322-K325 PolarHBondContact O-N 3.35Å; T322-T326 WeakPolarHBondContact O-CG2 3.5Å; T322-T326 PolarHBondContact O-N 3.03Å; T322-T326 PolarHBondContact O-OG1 3.05Å |
| 323 | I | 86.9 | Confident | 86.7 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 40% | 0.395 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 176.7 | -70.9 | 164.4 | 0 | 0 | 0 | 110.4 | T319 L320 K325 T326 L327 | T319-I323 HydrophobicContact CG2-CD1 3.97Å; T319-I323 VanDerWaalsContact O-CG1 3.29Å; T319-I323 WeakPolarHBondContact O-CG1 3.31Å; T319-I323 PolarHBondContact O-N 3.32Å; L320-I323 PolarHBondContact O-N 3.25Å; I323-K325 PolarHBondContact O-N 3.5Å; I323-T326 PolarHBondContact O-N 3.45Å; I323-T326 PolarHBondContact O-OG1 3.37Å; I323-L327 HydrophobicContact CG2-CD1 3.89Å; I323-L327 WeakPolarHBondContact O-CG 3.44Å; I323-L327 PolarHBondContact O-N 3.27Å |
| 324 | M | 87.9 | Confident | 87 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -39.8 | -177.8 | -166.6 | 60 | 177.1 | 0 | 0 | 112 | L295 F298 F301 L320 I321 T322 L327 I328 D353 I356 | L295-M324 HydrophobicContact CD2-CB 3.83Å; L295-M324 HydrophobicContact CD2-CG 3.49Å; L295-M324 VanDerWaalsContact CD2-CG 3.49Å; F298-M324 HydrophobicContact CB-CE 4.24Å; F298-M324 HydrophobicContact CD1-CE 3.55Å; F298-M324 HydrophobicContact CD2-CE 3.72Å; F298-M324 HydrophobicContact CE1-CE 3.82Å; F298-M324 HydrophobicContact CE2-CE 3.99Å; F298-M324 HydrophobicContact CG-CE 3.51Å; F298-M324 HydrophobicContact CZ-CE 4.02Å; F301-M324 HydrophobicContact CD1-CB 4.21Å; F301-M324 HydrophobicContact CD1-CG 3.93Å; F301-M324 HydrophobicContact CE1-CB 3.53Å; F301-M324 HydrophobicContact CE1-CG 3.77Å; F301-M324 HydrophobicContact CE2-CB 4.3Å; F301-M324 HydrophobicContact CG-CG 4.47Å; F301-M324 HydrophobicContact CZ-CB 3.61Å; F301-M324 HydrophobicContact CZ-CG 4.21Å; L320-M324 PolarHBondContact O-N 3.49Å; I321-M324 PolarHBondContact O-N 3.44Å; T322-M324 PolarHBondContact O-N 3.4Å; M324-L327 PolarHBondContact O-N 3.3Å; M324-I328 HydrophobicContact CG-CD1 4.05Å; M324-I328 WeakPolarHBondContact O-CB 3.21Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.27Å; M324-I328 PolarHBondContact O-N 3.17Å; M324-D353 HydrophobicContact CE-CB 4.49Å; M324-I356 HydrophobicContact SD-CD1 3.93Å |
| 325 | K | 89.1 | Confident | 87.6 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.1 | -76.4 | 175.3 | 176.6 | 173 | 0 | 112.5 | G291 I321 T322 I323 L327 I328 D329 | G291-K325 WeakPolarHBondContact O-CE 3.46Å; G291-K325 PolarHBondContact O-NZ 3.5Å; I321-K325 HydrophobicContact CG2-CD 3.97Å; I321-K325 WeakPolarHBondContact O-CB 3.45Å; I321-K325 WeakPolarHBondContact O-CG 3.24Å; I321-K325 PolarHBondContact O-N 3.21Å; T322-K325 PolarHBondContact O-N 3.35Å; I323-K325 PolarHBondContact O-N 3.5Å; K325-L327 VanDerWaalsContact C-N 3.33Å; K325-L327 PolarHBondContact O-N 2.82Å; K325-I328 PolarHBondContact O-N 2.71Å; K325-D329 PolarHBondContact O-N 2.87Å |
| 326 | T | 87.7 | Confident | 88 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 53% | 0.534 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 178.1 | 58.3 | 0 | 0 | 0 | 0 | 113 | T322 I323 D329 F330 | T322-T326 WeakPolarHBondContact O-CG2 3.5Å; T322-T326 PolarHBondContact O-N 3.03Å; T322-T326 PolarHBondContact O-OG1 3.05Å; I323-T326 PolarHBondContact O-N 3.45Å; I323-T326 PolarHBondContact O-OG1 3.37Å; T326-D329 PolarHBondContact O-N 3.21Å; T326-F330 WeakPolarHBondContact O-CB 3.42Å; T326-F330 PolarHBondContact O-N 2.91Å |
| 327 | L | 88.9 | Confident | 88.3 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 173.4 | -70.7 | 169 | 0 | 0 | 0 | 112 | I323 M324 K325 D329 F330 V331 L352 I356 | I323-L327 HydrophobicContact CG2-CD1 3.89Å; I323-L327 WeakPolarHBondContact O-CG 3.44Å; I323-L327 PolarHBondContact O-N 3.27Å; M324-L327 PolarHBondContact O-N 3.3Å; K325-L327 VanDerWaalsContact C-N 3.33Å; K325-L327 PolarHBondContact O-N 2.82Å; L327-D329 VanDerWaalsContact C-N 3.34Å; L327-D329 PolarHBondContact O-N 3.22Å; L327-F330 PolarHBondContact O-N 3.41Å; L327-V331 WeakPolarHBondContact O-CG2 3.45Å; L327-V331 PolarHBondContact O-N 3.36Å; L327-L352 HydrophobicContact CB-CD1 4.41Å; L327-L352 HydrophobicContact CD1-CD1 4.32Å; L327-L352 HydrophobicContact CD1-CD2 4.34Å; L327-L352 HydrophobicContact CD2-CD1 4.43Å; L327-I356 HydrophobicContact CD1-CD1 3.82Å |
| 328 | I | 87.8 | Confident | 88.3 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 173.8 | -69.5 | 159.7 | 0 | 0 | 0 | 110.4 | L295 F298 M324 K325 V331 K332 L349 | L295-I328 HydrophobicContact CD2-CD1 3.9Å; F298-I328 HydrophobicContact CD2-CD1 4.17Å; F298-I328 HydrophobicContact CE2-CD1 3.43Å; F298-I328 VanDerWaalsContact CE2-CD1 3.43Å; F298-I328 HydrophobicContact CE2-CG1 3.92Å; F298-I328 HydrophobicContact CZ-CD1 4.13Å; F298-I328 HydrophobicContact CZ-CG1 4.1Å; M324-I328 HydrophobicContact CG-CD1 4.05Å; M324-I328 WeakPolarHBondContact O-CB 3.21Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.27Å; M324-I328 PolarHBondContact O-N 3.17Å; K325-I328 PolarHBondContact O-N 2.71Å; I328-V331 PolarHBondContact O-N 2.92Å; I328-K332 HydrophobicContact CG2-CD 4.15Å; I328-K332 HydrophobicContact CG2-CG 4.4Å; I328-K332 WeakPolarHBondContact O-CB 3.46Å; I328-K332 WeakPolarHBondContact O-CG 3.46Å; I328-K332 PolarHBondContact O-N 2.92Å; I328-L349 HydrophobicContact CG1-CD1 4.29Å; I328-L349 HydrophobicContact CG1-CD2 3.94Å |
| 329 | D | 90.4 | Very high | 88.1 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71 | -33.2 | -179.5 | -74.1 | -15.2 | 0 | 0 | 0 | 112.9 | K325 T326 L327 K332 M333 | K325-D329 PolarHBondContact O-N 2.87Å; T326-D329 PolarHBondContact O-N 3.21Å; L327-D329 VanDerWaalsContact C-N 3.34Å; L327-D329 PolarHBondContact O-N 3.22Å; D329-K332 PolarHBondContact O-N 3.09Å; D329-K332 WeakPolarHBondContact OD1-CD 3.3Å; D329-K332 IonicContact OD1-NZ 3.99Å; D329-K332 PolarHBondContact OD1-NZ 3.49Å; D329-M333 VanDerWaalsContact O-CB 3.25Å; D329-M333 WeakPolarHBondContact O-CB 3.4Å; D329-M333 PolarHBondContact O-N 3.26Å |
| 330 | F | 90 | Very high | 88.1 | Confident | 112 Ų | 112 | 67 Ų | 67 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 169.2 | -178.7 | -106.2 | 0 | 0 | 0 | 111.5 | T326 L327 M333 M334 | T326-F330 WeakPolarHBondContact O-CB 3.42Å; T326-F330 PolarHBondContact O-N 2.91Å; L327-F330 PolarHBondContact O-N 3.41Å; F330-M333 HydrophobicContact CD2-CE 4.05Å; F330-M333 HydrophobicContact CE2-CE 4.44Å; F330-M333 WeakPolarHBondContact O-CB 3.39Å; F330-M333 PolarHBondContact O-N 2.93Å; F330-M334 HydrophobicContact CD1-CG 4.36Å; F330-M334 HydrophobicContact CD1-SD 3.79Å; F330-M334 HydrophobicContact CE1-CE 4.41Å; F330-M334 HydrophobicContact CE1-CG 4.07Å; F330-M334 HydrophobicContact CE1-SD 3.21Å; F330-M334 WeakPolarHBondContact CE1-SD 3.2Å; F330-M334 HydrophobicContact CZ-CG 4.14Å; F330-M334 HydrophobicContact CZ-SD 3.66Å; F330-M334 WeakPolarHBondContact O-CG 3.35Å; F330-M334 PolarHBondContact O-N 3.46Å |
| 331 | V | 89.1 | Confident | 88 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 176.1 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | L327 I328 M333 M334 V335 I340 G345 L349 | L327-V331 WeakPolarHBondContact O-CG2 3.45Å; L327-V331 PolarHBondContact O-N 3.36Å; I328-V331 PolarHBondContact O-N 2.92Å; V331-M333 PolarHBondContact O-N 3.3Å; V331-M334 PolarHBondContact O-N 2.92Å; V331-M334 VanDerWaalsContact O-N 3.17Å; V331-V335 HydrophobicContact CG1-CG2 4.5Å; V331-V335 WeakPolarHBondContact O-CG2 3.25Å; V331-V335 PolarHBondContact O-N 3.38Å; V331-I340 HydrophobicContact CG1-CD1 4.17Å; V331-G345 WeakPolarHBondContact CG1-O 3.36Å; V331-L349 HydrophobicContact CB-CD1 4.11Å; V331-L349 HydrophobicContact CB-CD2 4.19Å; V331-L349 HydrophobicContact CB-CG 4.17Å; V331-L349 HydrophobicContact CG1-CD1 3.8Å; V331-L349 HydrophobicContact CG1-CG 4.03Å; V331-L349 HydrophobicContact CG2-CD2 3.84Å; V331-L349 HydrophobicContact CG2-CG 4.03Å |
| 332 | K | 90 | Very high | 88.1 | Confident | 106 Ų | 106 | 72 Ų | 72 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.1 | -40.4 | 172.5 | -73.3 | 173.4 | -169.2 | 154.6 | 0 | 111.4 | I328 D329 K336 | I328-K332 HydrophobicContact CG2-CD 4.15Å; I328-K332 HydrophobicContact CG2-CG 4.4Å; I328-K332 WeakPolarHBondContact O-CB 3.46Å; I328-K332 WeakPolarHBondContact O-CG 3.46Å; I328-K332 PolarHBondContact O-N 2.92Å; D329-K332 PolarHBondContact O-N 3.09Å; D329-K332 WeakPolarHBondContact OD1-CD 3.3Å; D329-K332 IonicContact OD1-NZ 3.99Å; D329-K332 PolarHBondContact OD1-NZ 3.49Å; K332-K336 VanDerWaalsContact O-CB 3.23Å; K332-K336 WeakPolarHBondContact O-CB 3.42Å; K332-K336 PolarHBondContact O-N 3.48Å |
| 333 | M | 87.3 | Confident | 88 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 45% | 0.453 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 177.2 | -174.4 | 172.3 | 66.4 | 0 | 0 | 112 | D329 F330 V331 K336 Y337 | D329-M333 VanDerWaalsContact O-CB 3.25Å; D329-M333 WeakPolarHBondContact O-CB 3.4Å; D329-M333 PolarHBondContact O-N 3.26Å; F330-M333 HydrophobicContact CD2-CE 4.05Å; F330-M333 HydrophobicContact CE2-CE 4.44Å; F330-M333 WeakPolarHBondContact O-CB 3.39Å; F330-M333 PolarHBondContact O-N 2.93Å; V331-M333 PolarHBondContact O-N 3.3Å; M333-K336 PolarHBondContact O-N 2.97Å; M333-Y337 HydrophobicContact CG-CD2 3.58Å; M333-Y337 HydrophobicContact CG-CE2 3.53Å; M333-Y337 VanDerWaalsContact O-CD2 3.25Å; M333-Y337 WeakPolarHBondContact O-CD2 3.34Å; M333-Y337 PolarHBondContact O-N 3.41Å; M333-Y337 HydrophobicContact SD-CE2 4.14Å |
| 334 | M | 85.3 | Confident | 88 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.6 | -72.4 | -174.7 | 89.2 | 0 | 0 | 112.2 | F330 V331 G338 T339 I340 | F330-M334 HydrophobicContact CD1-CG 4.36Å; F330-M334 HydrophobicContact CD1-SD 3.79Å; F330-M334 HydrophobicContact CE1-CE 4.41Å; F330-M334 HydrophobicContact CE1-CG 4.07Å; F330-M334 HydrophobicContact CE1-SD 3.21Å; F330-M334 WeakPolarHBondContact CE1-SD 3.2Å; F330-M334 HydrophobicContact CZ-CG 4.14Å; F330-M334 HydrophobicContact CZ-SD 3.66Å; F330-M334 WeakPolarHBondContact O-CG 3.35Å; F330-M334 PolarHBondContact O-N 3.46Å; V331-M334 PolarHBondContact O-N 2.92Å; V331-M334 VanDerWaalsContact O-N 3.17Å; M334-G338 PolarHBondContact O-N 2.84Å; M334-T339 VanDerWaalsContact CA-OG1 3.23Å; M334-T339 WeakPolarHBondContact CA-OG1 3.49Å; M334-T339 WeakPolarHBondContact CB-OG1 3.38Å; M334-T339 WeakPolarHBondContact CG-OG1 3.5Å; M334-T339 PolarHBondContact O-N 3.4Å; M334-T339 PolarHBondContact O-OG1 3.23Å; M334-T339 VanDerWaalsContact O-OG1 3.1Å; M334-I340 HydrophobicContact CB-CD1 3.61Å; M334-I340 HydrophobicContact CB-CG1 3.76Å; M334-I340 HydrophobicContact CE-CG2 3.97Å; M334-I340 HydrophobicContact SD-CD1 4.21Å |
| 335 | V | 90.8 | Very high | 87.9 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 28% | 0.279 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 173.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | V331 Y337 G338 I340 P342 | V331-V335 HydrophobicContact CG1-CG2 4.5Å; V331-V335 WeakPolarHBondContact O-CG2 3.25Å; V331-V335 PolarHBondContact O-N 3.38Å; V335-Y337 VanDerWaalsContact C-N 3.32Å; V335-Y337 PolarHBondContact O-N 3.32Å; V335-G338 PolarHBondContact O-N 3.08Å; V335-G338 VanDerWaalsContact O-N 3.09Å; V335-I340 HydrophobicContact CG2-CD1 4.06Å; V335-I340 HydrophobicContact CG2-CG1 3.76Å; V335-P342 HydrophobicContact CG1-CB 4.2Å; V335-P342 HydrophobicContact CG1-CG 3.83Å |
| 336 | K | 90.7 | Very high | 87.9 | Confident | 163 Ų | 163 | 76.5 Ų | 76.5 | 71% | 0.709 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.3 | -36.3 | 179.6 | -179.6 | 178.7 | 178 | -178.9 | 0 | 113.3 | K332 M333 | K332-K336 VanDerWaalsContact O-CB 3.23Å; K332-K336 WeakPolarHBondContact O-CB 3.42Å; K332-K336 PolarHBondContact O-N 3.48Å; M333-K336 PolarHBondContact O-N 2.97Å |
| 337 | Y | 90.1 | Very high | 87.8 | Confident | 164 Ų | 164 | 75.6 Ų | 75.6 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 6.7 | 176.5 | -65.5 | -61.1 | 0 | 0 | 0 | 113.7 | M333 V335 T339 | M333-Y337 HydrophobicContact CG-CD2 3.58Å; M333-Y337 HydrophobicContact CG-CE2 3.53Å; M333-Y337 VanDerWaalsContact O-CD2 3.25Å; M333-Y337 WeakPolarHBondContact O-CD2 3.34Å; M333-Y337 PolarHBondContact O-N 3.41Å; M333-Y337 HydrophobicContact SD-CE2 4.14Å; V335-Y337 VanDerWaalsContact C-N 3.32Å; V335-Y337 PolarHBondContact O-N 3.32Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; Y337-T339 PolarHBondContact O-N 3.34Å |
| 338 | G | 84.2 | Confident | 87.8 | Confident | 63 Ų | 63 | 79.3 Ų | 79.3 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 23.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M334 V335 I340 | M334-G338 PolarHBondContact O-N 2.84Å; V335-G338 PolarHBondContact O-N 3.08Å; V335-G338 VanDerWaalsContact O-N 3.09Å; G338-I340 VanDerWaalsContact C-N 3.33Å |
| 339 | T | 82.1 | Confident | 88 | Confident | 92 Ų | 92 | 79.5 Ų | 79.5 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -79.1 | -20.6 | 174.7 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | M334 Y337 | M334-T339 VanDerWaalsContact CA-OG1 3.23Å; M334-T339 WeakPolarHBondContact CA-OG1 3.49Å; M334-T339 WeakPolarHBondContact CB-OG1 3.38Å; M334-T339 WeakPolarHBondContact CG-OG1 3.5Å; M334-T339 PolarHBondContact O-N 3.4Å; M334-T339 PolarHBondContact O-OG1 3.23Å; M334-T339 VanDerWaalsContact O-OG1 3.1Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; Y337-T339 PolarHBondContact O-N 3.34Å |
| 340 | I | 85.5 | Confident | 87.9 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 9% | 0.092 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -139.9 | 157.8 | 169.2 | 64.3 | -171.6 | 0 | 0 | 0 | 108.9 | V331 M334 V335 G338 E344 Y348 | V331-I340 HydrophobicContact CG1-CD1 4.17Å; M334-I340 HydrophobicContact CB-CD1 3.61Å; M334-I340 HydrophobicContact CB-CG1 3.76Å; M334-I340 HydrophobicContact CE-CG2 3.97Å; M334-I340 HydrophobicContact SD-CD1 4.21Å; V335-I340 HydrophobicContact CG2-CD1 4.06Å; V335-I340 HydrophobicContact CG2-CG1 3.76Å; G338-I340 VanDerWaalsContact C-N 3.33Å; I340-E344 HydrophobicContact CB-CB 4.32Å; I340-Y348 HydrophobicContact CD1-CD2 4.19Å; I340-Y348 HydrophobicContact CG2-CE2 4.08Å |
| 341 | T | 87.4 | Confident | 88 | Confident | 61 Ų | 61 | 80.3 Ų | 80.3 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | trans | -74.4 | 156.3 | 169.6 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | E343 E344 G345 | T341-E343 PolarHBondContact O-N 2.97Å; T341-E344 WeakPolarHBondContact CB-OE2 3.38Å; T341-E344 PolarHBondContact N-OE2 3.47Å; T341-E344 PolarHBondContact O-N 3.03Å; T341-E344 WeakPolarHBondContact OG1-CB 3.36Å; T341-E344 WeakPolarHBondContact OG1-CG 3.14Å; T341-E344 PolarHBondContact OG1-N 2.84Å; T341-E344 PolarHBondContact OG1-OE2 2.93Å; T341-G345 PolarHBondContact O-N 2.72Å | ||
| 342 | P | 89.1 | Confident | 88 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -53.6 | -40.5 | 173.4 | -24.5 | 32.5 | 0 | 0 | 0 | 113.1 | V335 G345 V346 | V335-P342 HydrophobicContact CG1-CB 4.2Å; V335-P342 HydrophobicContact CG1-CG 3.83Å; P342-G345 PolarHBondContact O-N 2.95Å; P342-V346 WeakPolarHBondContact O-CG2 3.32Å; P342-V346 PolarHBondContact O-N 3.39Å |
| 343 | E | 87.8 | Confident | 88 | Confident | 139 Ų | 139 | 76.8 Ų | 76.8 | 65% | 0.65 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.6 | -43.3 | -178.5 | -62 | 77.5 | -173 | 0 | 0 | 111.8 | T341 G345 V346 S347 | T341-E343 PolarHBondContact O-N 2.97Å; E343-G345 VanDerWaalsContact C-N 3.33Å; E343-V346 PolarHBondContact O-N 2.89Å; E343-S347 PolarHBondContact O-N 3.01Å; E343-S347 VanDerWaalsContact O-N 3.1Å |
| 344 | E | 87.3 | Confident | 88 | Confident | 92 Ų | 92 | 74 Ų | 74 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 170.3 | -73.3 | 161.7 | 154.5 | 0 | 0 | 110.8 | I340 T341 V346 S347 Y348 | I340-E344 HydrophobicContact CB-CB 4.32Å; T341-E344 WeakPolarHBondContact CB-OE2 3.38Å; T341-E344 PolarHBondContact N-OE2 3.47Å; T341-E344 PolarHBondContact O-N 3.03Å; T341-E344 WeakPolarHBondContact OG1-CB 3.36Å; T341-E344 WeakPolarHBondContact OG1-CG 3.14Å; T341-E344 PolarHBondContact OG1-N 2.84Å; T341-E344 PolarHBondContact OG1-OE2 2.93Å; E344-V346 PolarHBondContact O-N 3.38Å; E344-S347 PolarHBondContact O-N 2.86Å; E344-Y348 HydrophobicContact CB-CD2 4.36Å; E344-Y348 HydrophobicContact CB-CE2 4.05Å; E344-Y348 WeakPolarHBondContact O-CD2 3.25Å; E344-Y348 PolarHBondContact O-N 3.35Å |
| 345 | G | 86.3 | Confident | 88.2 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V331 T341 P342 E343 Y348 L349 | V331-G345 WeakPolarHBondContact CG1-O 3.36Å; T341-G345 PolarHBondContact O-N 2.72Å; P342-G345 PolarHBondContact O-N 2.95Å; E343-G345 VanDerWaalsContact C-N 3.33Å; G345-Y348 PolarHBondContact O-N 3.2Å; G345-L349 WeakPolarHBondContact O-CG 3.34Å; G345-L349 PolarHBondContact O-N 2.88Å |
| 346 | V | 87.4 | Confident | 88 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | P342 E343 E344 Y348 L349 E350 | P342-V346 WeakPolarHBondContact O-CG2 3.32Å; P342-V346 PolarHBondContact O-N 3.39Å; E343-V346 PolarHBondContact O-N 2.89Å; E344-V346 PolarHBondContact O-N 3.38Å; V346-Y348 VanDerWaalsContact C-N 3.33Å; V346-Y348 PolarHBondContact O-N 2.98Å; V346-L349 PolarHBondContact O-N 3.06Å; V346-E350 HydrophobicContact CG1-CG 4.35Å; V346-E350 WeakPolarHBondContact O-CG 3.12Å; V346-E350 PolarHBondContact O-N 3.45Å |
| 347 | S | 87.4 | Confident | 87.8 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 179.7 | -169.2 | 0 | 0 | 0 | 0 | 113.5 | E343 E344 E350 N351 | E343-S347 PolarHBondContact O-N 3.01Å; E343-S347 VanDerWaalsContact O-N 3.1Å; E344-S347 PolarHBondContact O-N 2.86Å; S347-E350 PolarHBondContact O-N 3.25Å; S347-N351 PolarHBondContact O-N 2.93Å; S347-N351 VanDerWaalsContact O-N 3.12Å |
| 348 | Y | 88.5 | Confident | 87.5 | Confident | 126 Ų | 126 | 64.5 Ų | 64.5 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 171.9 | -76.4 | -60.2 | 0 | 0 | 0 | 111.8 | I340 E344 G345 V346 N351 L352 | I340-Y348 HydrophobicContact CD1-CD2 4.19Å; I340-Y348 HydrophobicContact CG2-CE2 4.08Å; E344-Y348 HydrophobicContact CB-CD2 4.36Å; E344-Y348 HydrophobicContact CB-CE2 4.05Å; E344-Y348 WeakPolarHBondContact O-CD2 3.25Å; E344-Y348 PolarHBondContact O-N 3.35Å; G345-Y348 PolarHBondContact O-N 3.2Å; V346-Y348 VanDerWaalsContact C-N 3.33Å; V346-Y348 PolarHBondContact O-N 2.98Å; Y348-N351 PolarHBondContact O-N 3.29Å; Y348-L352 VanDerWaalsContact O-CG 3.29Å; Y348-L352 WeakPolarHBondContact O-CG 3.2Å; Y348-L352 PolarHBondContact O-N 2.99Å |
| 349 | L | 91 | Very high | 87.6 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.7 | -35.4 | 179.2 | -66 | 170.5 | 0 | 0 | 0 | 112.7 | F298 I328 V331 G345 V346 L352 D353 | F298-L349 HydrophobicContact CE1-CB 3.63Å; F298-L349 HydrophobicContact CZ-CB 4Å; F298-L349 HydrophobicContact CZ-CD1 4.19Å; I328-L349 HydrophobicContact CG1-CD1 4.29Å; I328-L349 HydrophobicContact CG1-CD2 3.94Å; V331-L349 HydrophobicContact CB-CD1 4.11Å; V331-L349 HydrophobicContact CB-CD2 4.19Å; V331-L349 HydrophobicContact CB-CG 4.17Å; V331-L349 HydrophobicContact CG1-CD1 3.8Å; V331-L349 HydrophobicContact CG1-CG 4.03Å; V331-L349 HydrophobicContact CG2-CD2 3.84Å; V331-L349 HydrophobicContact CG2-CG 4.03Å; G345-L349 WeakPolarHBondContact O-CG 3.34Å; G345-L349 PolarHBondContact O-N 2.88Å; V346-L349 PolarHBondContact O-N 3.06Å; L349-L352 HydrophobicContact CD2-CD1 4.21Å; L349-L352 PolarHBondContact O-N 2.93Å; L349-D353 WeakPolarHBondContact O-CB 3.09Å; L349-D353 PolarHBondContact O-N 3.14Å |
| 350 | E | 89.6 | Confident | 87.7 | Confident | 116 Ų | 116 | 63 Ų | 63 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 171.6 | -71.2 | 174.9 | 167.8 | 0 | 0 | 112.2 | V346 S347 A354 | V346-E350 HydrophobicContact CG1-CG 4.35Å; V346-E350 WeakPolarHBondContact O-CG 3.12Å; V346-E350 PolarHBondContact O-N 3.45Å; S347-E350 PolarHBondContact O-N 3.25Å; E350-A354 PolarHBondContact O-N 3.28Å |
| 351 | N | 90.6 | Very high | 87.4 | Confident | 100 Ų | 100 | 69 Ų | 69 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 175.7 | -171.2 | 15.7 | 0 | 0 | 0 | 111.7 | S347 Y348 A354 M355 | S347-N351 PolarHBondContact O-N 2.93Å; S347-N351 VanDerWaalsContact O-N 3.12Å; Y348-N351 PolarHBondContact O-N 3.29Å; N351-A354 PolarHBondContact O-N 3.1Å; N351-M355 WeakPolarHBondContact O-CB 3.38Å; N351-M355 PolarHBondContact O-N 3.15Å |
| 352 | L | 89.1 | Confident | 87 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.199 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 174.9 | -74.1 | 165.7 | 0 | 0 | 0 | 112.2 | L327 Y348 L349 M355 I356 | L327-L352 HydrophobicContact CB-CD1 4.41Å; L327-L352 HydrophobicContact CD1-CD1 4.32Å; L327-L352 HydrophobicContact CD1-CD2 4.34Å; L327-L352 HydrophobicContact CD2-CD1 4.43Å; Y348-L352 VanDerWaalsContact O-CG 3.29Å; Y348-L352 WeakPolarHBondContact O-CG 3.2Å; Y348-L352 PolarHBondContact O-N 2.99Å; L349-L352 HydrophobicContact CD2-CD1 4.21Å; L349-L352 PolarHBondContact O-N 2.93Å; L352-M355 HydrophobicContact CD2-CE 4.39Å; L352-M355 PolarHBondContact O-N 3.1Å; L352-I356 HydrophobicContact CB-CD1 4.38Å; L352-I356 WeakPolarHBondContact O-CB 3.24Å; L352-I356 VanDerWaalsContact O-CG1 3.25Å; L352-I356 WeakPolarHBondContact O-CG1 3.32Å; L352-I356 PolarHBondContact O-N 2.89Å |
| 353 | D | 89.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 74.6 Ų | 74.6 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -52.7 | -55.1 | 172.4 | 168.8 | 62.9 | 0 | 0 | 0 | 111.5 | F298 N300 F301 M324 L349 M355 A357 | F298-D353 VanDerWaalsContact C-OD1 3.23Å; F298-D353 HydrophobicContact CB-CB 4.15Å; F298-D353 WeakPolarHBondContact CB-OD1 3.2Å; F298-D353 HydrophobicContact CD1-CB 3.95Å; F298-D353 HydrophobicContact CG-CB 4.45Å; N300-D353 WeakPolarHBondContact CB-OD2 3.31Å; N300-D353 PolarHBondContact N-OD1 2.94Å; N300-D353 VanDerWaalsContact N-OD1 3.08Å; N300-D353 PolarHBondContact N-OD2 3.21Å; N300-D353 PolarHBondContact ND2-OD2 3.4Å; F301-D353 WeakPolarHBondContact CB-OD1 3.36Å; F301-D353 PolarHBondContact N-OD1 2.93Å; M324-D353 HydrophobicContact CE-CB 4.49Å; L349-D353 WeakPolarHBondContact O-CB 3.09Å; L349-D353 PolarHBondContact O-N 3.14Å; D353-M355 PolarHBondContact O-N 2.93Å; D353-A357 WeakPolarHBondContact O-CB 3.37Å; D353-A357 PolarHBondContact O-N 2.79Å |
| 354 | A | 88.4 | Confident | 85.5 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E350 N351 M358 | E350-A354 PolarHBondContact O-N 3.28Å; N351-A354 PolarHBondContact O-N 3.1Å; A354-M358 WeakPolarHBondContact O-CB 3.44Å; A354-M358 WeakPolarHBondContact O-CG 3.35Å; A354-M358 PolarHBondContact O-N 3.38Å |
| 355 | M | 88.6 | Confident | 83.9 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.8 | -49.1 | -177.6 | -170.2 | -169.9 | -40.5 | 0 | 0 | 112.2 | N351 L352 D353 M358 Q359 | N351-M355 WeakPolarHBondContact O-CB 3.38Å; N351-M355 PolarHBondContact O-N 3.15Å; L352-M355 HydrophobicContact CD2-CE 4.39Å; L352-M355 PolarHBondContact O-N 3.1Å; D353-M355 PolarHBondContact O-N 2.93Å; M355-M358 PolarHBondContact O-N 2.86Å; M355-Q359 HydrophobicContact CG-CG 4.48Å; M355-Q359 WeakPolarHBondContact O-CB 3.45Å; M355-Q359 VanDerWaalsContact O-CG 3.31Å; M355-Q359 WeakPolarHBondContact O-CG 3.39Å; M355-Q359 PolarHBondContact O-N 3.5Å |
| 356 | I | 87.1 | Confident | 82.1 | Confident | 22 Ų | 22 | 76.3 Ų | 76.3 | 11% | 0.113 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 179.6 | -64.5 | 167.3 | 0 | 0 | 0 | 109.1 | F301 L320 M324 L327 L352 M358 Q359 T360 | F301-I356 HydrophobicContact CD2-CB 4.36Å; F301-I356 HydrophobicContact CD2-CG2 3.72Å; F301-I356 HydrophobicContact CE2-CG2 3.7Å; L320-I356 HydrophobicContact CD2-CG2 4Å; M324-I356 HydrophobicContact SD-CD1 3.93Å; L327-I356 HydrophobicContact CD1-CD1 3.82Å; L352-I356 HydrophobicContact CB-CD1 4.38Å; L352-I356 WeakPolarHBondContact O-CB 3.24Å; L352-I356 VanDerWaalsContact O-CG1 3.25Å; L352-I356 WeakPolarHBondContact O-CG1 3.32Å; L352-I356 PolarHBondContact O-N 2.89Å; I356-M358 PolarHBondContact O-N 3.28Å; I356-Q359 PolarHBondContact O-N 3.38Å; I356-T360 VanDerWaalsContact O-CB 3.27Å; I356-T360 WeakPolarHBondContact O-CB 3.39Å; I356-T360 PolarHBondContact O-N 3.43Å; I356-T360 PolarHBondContact O-OG1 3.25Å |
| 357 | A | 86.9 | Confident | 79.8 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.6 | -48.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N300 D353 K361 | N300-A357 HydrophobicContact CB-CB 3.51Å; D353-A357 WeakPolarHBondContact O-CB 3.37Å; D353-A357 PolarHBondContact O-N 2.79Å; A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 3.5Å |
| 358 | M | 84 | Confident | 77.6 | Confident | 122 Ų | 122 | 81.5 Ų | 81.5 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.3 | -44.4 | 179.2 | -75.1 | -160.8 | -63.9 | 0 | 0 | 113.3 | A354 M355 I356 N362 | A354-M358 WeakPolarHBondContact O-CB 3.44Å; A354-M358 WeakPolarHBondContact O-CG 3.35Å; A354-M358 PolarHBondContact O-N 3.38Å; M355-M358 PolarHBondContact O-N 2.86Å; I356-M358 PolarHBondContact O-N 3.28Å; M358-N362 VanDerWaalsContact O-CB 3.24Å; M358-N362 WeakPolarHBondContact O-CB 3.37Å; M358-N362 PolarHBondContact O-N 3.43Å; M358-N362 PolarHBondContact O-ND2 2.96Å |
| 359 | Q | 85.3 | Confident | 74.8 | Confident | 103 Ų | 103 | 81.3 Ų | 81.3 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | -177.8 | -73.6 | -172 | 25.8 | 0 | 0 | 111.5 | M355 I356 N362 K363 | M355-Q359 HydrophobicContact CG-CG 4.48Å; M355-Q359 WeakPolarHBondContact O-CB 3.45Å; M355-Q359 VanDerWaalsContact O-CG 3.31Å; M355-Q359 WeakPolarHBondContact O-CG 3.39Å; M355-Q359 PolarHBondContact O-N 3.5Å; I356-Q359 PolarHBondContact O-N 3.38Å; Q359-N362 PolarHBondContact O-N 2.87Å; Q359-K363 WeakPolarHBondContact O-CD 3.46Å; Q359-K363 VanDerWaalsContact O-CG 3.31Å; Q359-K363 WeakPolarHBondContact O-CG 3.26Å; Q359-K363 PolarHBondContact O-N 2.82Å; Q359-K363 VanDerWaalsContact O-N 3.13Å |
| 360 | T | 84.1 | Confident | 72.3 | Confident | 21 Ų | 21 | 86.5 Ų | 86.5 | 13% | 0.129 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.6 | -45.7 | -178.9 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | L304 L320 I356 N362 K363 L364 | L304-T360 HydrophobicContact CD1-CG2 4.14Å; L304-T360 HydrophobicContact CD2-CG2 3.87Å; L320-T360 HydrophobicContact CD1-CG2 3.82Å; L320-T360 HydrophobicContact CD2-CG2 4Å; I356-T360 VanDerWaalsContact O-CB 3.27Å; I356-T360 WeakPolarHBondContact O-CB 3.39Å; I356-T360 PolarHBondContact O-N 3.43Å; I356-T360 PolarHBondContact O-OG1 3.25Å; T360-N362 VanDerWaalsContact C-N 3.27Å; T360-N362 PolarHBondContact O-N 3.12Å; T360-K363 PolarHBondContact O-N 3.47Å; T360-L364 HydrophobicContact CG2-CD1 3.37Å; T360-L364 HydrophobicContact CG2-CG 3.9Å; T360-L364 PolarHBondContact O-N 3.32Å |
| 361 | K | 80.5 | Confident | 69.8 | Low | 142 Ų | 142 | 86.3 Ų | 86.3 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -56.3 | -38.9 | 173 | -177.7 | 173.4 | 179.5 | 172.5 | 0 | 112.9 | L304 A357 K363 G365 | L304-K361 HydrophobicContact CD1-CB 4.37Å; A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 3.5Å; K361-K363 VanDerWaalsContact C-N 3.31Å; K361-K363 PolarHBondContact O-N 3.1Å; K361-G365 VanDerWaalsContact O-CA 3.31Å; K361-G365 WeakPolarHBondContact O-CA 3.48Å; K361-G365 PolarHBondContact O-N 3.29Å |
| 362 | N | 78.5 | Confident | 66.8 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.7 | -16.6 | 178.5 | -76.5 | -32.6 | 0 | 0 | 0 | 114.5 | M358 Q359 T360 K366 | M358-N362 VanDerWaalsContact O-CB 3.24Å; M358-N362 WeakPolarHBondContact O-CB 3.37Å; M358-N362 PolarHBondContact O-N 3.43Å; M358-N362 PolarHBondContact O-ND2 2.96Å; Q359-N362 PolarHBondContact O-N 2.87Å; T360-N362 VanDerWaalsContact C-N 3.27Å; T360-N362 PolarHBondContact O-N 3.12Å; N362-K366 WeakPolarHBondContact O-CD 3.47Å; N362-K366 VanDerWaalsContact O-CE 3.27Å; N362-K366 WeakPolarHBondContact O-CE 3.38Å |
| 363 | K | 78.3 | Confident | 64.3 | Low | 154 Ų | 154 | 94.7 Ų | 94.7 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -94.8 | -47.8 | 177.9 | -75.8 | 164.1 | 173 | -82.6 | 0 | 111.7 | Q359 T360 K361 | Q359-K363 WeakPolarHBondContact O-CD 3.46Å; Q359-K363 VanDerWaalsContact O-CG 3.31Å; Q359-K363 WeakPolarHBondContact O-CG 3.26Å; Q359-K363 PolarHBondContact O-N 2.82Å; Q359-K363 VanDerWaalsContact O-N 3.13Å; T360-K363 PolarHBondContact O-N 3.47Å; K361-K363 VanDerWaalsContact C-N 3.31Å; K361-K363 PolarHBondContact O-N 3.1Å |
| 364 | L | 66.7 | Low | 61.3 | Low | 49 Ų | 49 | 100 Ų | 100 | 26% | 0.257 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -85.1 | -42.2 | -176.4 | -56.1 | -178.4 | 0 | 0 | 0 | 112.6 | L308 E316 T360 K366 S367 | L308-L364 HydrophobicContact CD1-CD1 3.94Å; L308-L364 HydrophobicContact CD2-CD1 3.67Å; L308-L364 HydrophobicContact CG-CD1 4.48Å; E316-L364 WeakPolarHBondContact OE2-CD1 3.26Å; E316-L364 WeakPolarHBondContact OE2-CD2 3.46Å; T360-L364 HydrophobicContact CG2-CD1 3.37Å; T360-L364 HydrophobicContact CG2-CG 3.9Å; T360-L364 PolarHBondContact O-N 3.32Å; L364-K366 PolarHBondContact O-N 3.03Å; L364-S367 PolarHBondContact O-N 3.31Å; L364-S367 VanDerWaalsContact O-N 3.13Å |
| 365 | G | 53.7 | Low | 58.3 | Low | 57 Ų | 57 | 101.3 Ų | 101.3 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 13.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | K361 | K361-G365 VanDerWaalsContact O-CA 3.31Å; K361-G365 WeakPolarHBondContact O-CA 3.48Å; K361-G365 PolarHBondContact O-N 3.29Å |
| 366 | K | 49.7 | Very low | 55.5 | Low | 164 Ų | 164 | 105.9 Ų | 105.9 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -5.1 | 173.3 | -69 | -178 | -179.4 | 172.3 | 0 | 113.4 | N362 L364 | N362-K366 WeakPolarHBondContact O-CD 3.47Å; N362-K366 VanDerWaalsContact O-CE 3.27Å; N362-K366 WeakPolarHBondContact O-CE 3.38Å; L364-K366 PolarHBondContact O-N 3.03Å |
| 367 | S | 38.5 | Very low | 52.6 | Low | 106 Ų | 106 | 111.1 Ų | 111.1 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -86.4 | -2.5 | 179.9 | -160.7 | 0 | 0 | 0 | 0 | 114.6 | L364 | L364-S367 PolarHBondContact O-N 3.31Å; L364-S367 VanDerWaalsContact O-N 3.13Å |
| 368 | L | 40 | Very low | 49.7 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 81% | 0.812 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -112.2 | 8.4 | -164 | -115.5 | 159.5 | 0 | 0 | 0 | 115.8 | ||
| 369 | V | 31.1 | Very low | 47.3 | Very low | 121 Ų | 121 | 117.8 Ų | 117.8 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | -136.6 | 104.6 | 167.5 | -177 | 0 | 0 | 0 | 0 | 109.9 | P371 | V369-P371 WeakPolarHBondContact O-CD 3.38Š| ||
| 370 | V | 37.2 | Very low | 44.8 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | trans | -77.6 | 117.1 | 160.5 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | D372 | V370-D372 PolarHBondContact O-N 3.14Š| ||
| 371 | P | 37.8 | Very low | 42.7 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -93.4 | 91.1 | 168.9 | 20.5 | -2.3 | 0 | 0 | 0 | 108.1 | V369 | V369-P371 WeakPolarHBondContact O-CD 3.38Š| ||
| 372 | D | 27.6 | Very low | 40.5 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | -74 | 149.8 | 171.4 | -149.2 | -9 | 0 | 0 | 0 | 110.7 | V370 S374 | V370-D372 PolarHBondContact O-N 3.14Å; D372-S374 PolarHBondContact O-N 3.38Å | ||
| 373 | I | 36.1 | Very low | 38.4 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -97.1 | 101.3 | -160.4 | -60.6 | 171.2 | 0 | 0 | 0 | 112 | ||||
| 374 | S | 27.9 | Very low | 36.5 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -173.2 | 139.2 | 150.9 | -164 | 0 | 0 | 0 | 0 | 109.6 | D372 | D372-S374 PolarHBondContact O-N 3.38Š| ||
| 375 | G | 25 | Very low | 35.1 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | cis | 159.2 | 132.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 376 | L | 30.5 | Very low | 34.8 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | trans | 78 | 113.9 | 159.7 | -83.5 | 90 | 0 | 0 | 0 | 122.3 | ||||
| 377 | T | 26.4 | Very low | 34.8 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | 86.6 | 126 | 134.5 | -37.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 378 | G | 26.1 | Very low | 35.2 | Very low | 60 Ų | 60 | 137.3 Ų | 137.3 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | cis | 149.2 | 147.9 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 379 | K | 32.8 | Very low | 35.6 | Very low | 213 Ų | 213 | 133.3 Ų | 133.3 | 93% | 0.926 | 74% | 0.744 | S | S | * | * | trans | -163.4 | 142.7 | 147.6 | -118.4 | 168.1 | -177.1 | 170.5 | 0 | 110.9 | ||||
| 380 | N | 31.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | trans | -111 | 163.9 | -155.4 | -49.1 | -7.1 | 0 | 0 | 0 | 113.7 | D382 | N380-D382 WeakPolarHBondContact CB-OD2 3.39Å; N380-D382 PolarHBondContact ND2-OD2 2.99Å; N380-D382 VanDerWaalsContact ND2-OD2 3.12Å | ||
| 381 | F | 39.8 | Very low | 36.9 | Very low | 206 Ų | 206 | 133.9 Ų | 133.9 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | -165.2 | 98 | 123.7 | -93.7 | -71 | 0 | 0 | 0 | 105.2 | |||||
| 382 | D | 34.8 | Very low | 37.4 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | 55.8 | 126.2 | 70.8 | -64.8 | -30.5 | 0 | 0 | 0 | 111.3 | N380 | N380-D382 WeakPolarHBondContact CB-OD2 3.39Å; N380-D382 PolarHBondContact ND2-OD2 2.99Å; N380-D382 VanDerWaalsContact ND2-OD2 3.12Å | |||
| 383 | E | 35.8 | Very low | 38.5 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | cis | -146.1 | 161.5 | 5.3 | -87.7 | 144.1 | 171.2 | 0 | 0 | 106.8 | ||||
| 384 | D | 37.9 | Very low | 39.2 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | -168.5 | 156.5 | 52.8 | -129.5 | -25.2 | 0 | 0 | 0 | 112.2 | |||||
| 385 | D | 37.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | trans | -74.3 | 135.9 | -179 | 171.9 | 29 | 0 | 0 | 0 | 113.6 | T387 | D385-T387 WeakPolarHBondContact OD1-CB 3.19Å; D385-T387 PolarHBondContact OD1-N 3Å; D385-T387 PolarHBondContact OD1-OG1 3.3Å | ||
| 386 | N | 45.3 | Very low | 41.6 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | trans | -140.7 | 40.3 | 165.2 | -157.2 | -1.3 | 0 | 0 | 0 | 114 | K388 S389 | N386-K388 PolarHBondContact O-N 3.48Å; N386-S389 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 387 | T | 51.3 | Low | 42.6 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 36.2 | 177.9 | -33.6 | 0 | 0 | 0 | 0 | 112.6 | D385 | D385-T387 WeakPolarHBondContact OD1-CB 3.19Å; D385-T387 PolarHBondContact OD1-N 3Å; D385-T387 PolarHBondContact OD1-OG1 3.3Å |
| 388 | K | 46.6 | Very low | 43.5 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | -3.9 | -173.3 | -141.6 | 170 | -170.8 | 169.2 | 0 | 115.2 | N386 | N386-K388 PolarHBondContact O-N 3.48Š|
| 389 | S | 49.1 | Very low | 44.6 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 49% | 0.49 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -90.7 | -27.3 | -173.4 | -175.1 | 0 | 0 | 0 | 0 | 114.7 | N386 | N386-S389 WeakPolarHBondContact OD1-CB 3.37Š|
| 390 | E | 49 | Very low | 45.4 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -88.1 | -36.2 | -166.3 | -161.3 | 159.8 | -177.8 | 0 | 0 | 114.4 | A392 K393 M394 | E390-A392 VanDerWaalsContact C-N 3.26Å; E390-A392 PolarHBondContact O-N 3.18Å; E390-K393 PolarHBondContact O-N 3.14Å; E390-M394 PolarHBondContact O-N 3.14Å |
| 391 | T | 45.3 | Very low | 46.1 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -61.7 | -33.9 | 177.1 | -34.2 | 0 | 0 | 0 | 0 | 112.5 | K393 Q395 | T391-K393 VanDerWaalsContact C-N 3.29Å; T391-K393 PolarHBondContact O-N 3.25Å; T391-Q395 PolarHBondContact O-N 3.31Å |
| 392 | A | 48.5 | Very low | 46.5 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 56% | 0.562 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73.3 | -19.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E390 | E390-A392 VanDerWaalsContact C-N 3.26Å; E390-A392 PolarHBondContact O-N 3.18Å |
| 393 | K | 49.8 | Very low | 46.5 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 64% | 0.635 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -82.7 | -44.6 | 178.6 | -140.3 | 179.9 | -177.9 | -171.4 | 0 | 111.1 | E390 T391 Q395 K396 E397 | E390-K393 PolarHBondContact O-N 3.14Å; T391-K393 VanDerWaalsContact C-N 3.29Å; T391-K393 PolarHBondContact O-N 3.25Å; K393-Q395 VanDerWaalsContact C-N 3.3Å; K393-Q395 PolarHBondContact O-N 3.44Å; K393-K396 PolarHBondContact O-N 3.49Å; K393-E397 PolarHBondContact O-N 3.07Å |
| 394 | M | 51.3 | Low | 46.5 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 62% | 0.616 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -59.4 | -37.8 | 175 | -72.9 | -158.9 | -75.3 | 0 | 0 | 112.8 | E390 K396 Y398 | E390-M394 PolarHBondContact O-N 3.14Å; M394-K396 VanDerWaalsContact C-N 3.33Å; M394-K396 PolarHBondContact O-N 3.32Å; M394-Y398 WeakPolarHBondContact O-CD2 3.45Å |
| 395 | Q | 50.4 | Low | 46.3 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -72.7 | -25.7 | -179.3 | -159.2 | 162.1 | 3 | 0 | 0 | 113.4 | T391 K393 Y398 E399 | T391-Q395 PolarHBondContact O-N 3.31Å; K393-Q395 VanDerWaalsContact C-N 3.3Å; K393-Q395 PolarHBondContact O-N 3.44Å; Q395-Y398 PolarHBondContact O-N 3.11Å; Q395-E399 PolarHBondContact O-N 3.29Å |
| 396 | K | 52.6 | Low | 46.2 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -78.1 | -21.7 | -179.9 | -164 | 170.3 | -174.7 | 174.8 | 0 | 113.7 | K393 M394 | K393-K396 PolarHBondContact O-N 3.49Å; M394-K396 VanDerWaalsContact C-N 3.33Å; M394-K396 PolarHBondContact O-N 3.32Å |
| 397 | E | 51.8 | Low | 45.5 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 66% | 0.659 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -82.9 | -23.5 | 174.1 | -67.7 | -179.3 | -173.1 | 0 | 0 | 112 | K393 | K393-E397 PolarHBondContact O-N 3.07Å |
| 398 | Y | 45.2 | Very low | 44.6 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -83.6 | -21.2 | 177.2 | -89.8 | -92.7 | 0 | 0 | 0 | 115.4 | M394 Q395 N400 | M394-Y398 WeakPolarHBondContact O-CD2 3.45Å; Q395-Y398 PolarHBondContact O-N 3.11Å; Y398-N400 VanDerWaalsContact C-N 3.32Å |
| 399 | E | 50.4 | Low | 44 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -73.4 | -22.9 | 173.8 | -80.3 | -168 | 136.2 | 0 | 0 | 113.2 | Q395 L401 | Q395-E399 PolarHBondContact O-N 3.29Å; E399-L401 VanDerWaalsContact C-N 3.34Å; E399-L401 PolarHBondContact O-N 3.28Å |
| 400 | N | 49 | Very low | 43.6 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -88 | 5.9 | -166.7 | -140.6 | 12.4 | 0 | 0 | 0 | 115 | Y398 | Y398-N400 VanDerWaalsContact C-N 3.32Š|
| 401 | L | 47.1 | Very low | 43.1 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -117.4 | 9 | 177.9 | -93.7 | 81.9 | 0 | 0 | 0 | 114.4 | E399 D403 | E399-L401 VanDerWaalsContact C-N 3.34Å; E399-L401 PolarHBondContact O-N 3.28Å; L401-D403 PolarHBondContact O-N 2.97Å |
| 402 | K | 48.4 | Very low | 42.4 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | -90.9 | 66.3 | 173.3 | -95 | -166.3 | 175.4 | -178.7 | 0 | 113.4 | ||||
| 403 | D | 33.9 | Very low | 41.7 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -162 | 97.4 | 145 | -157.3 | 4.5 | 0 | 0 | 0 | 114.2 | L401 | L401-D403 PolarHBondContact O-N 2.97Š| ||
| 404 | S | 36.2 | Very low | 40.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 176.3 | 102.4 | 140.1 | -85.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 405 | T | 33.3 | Very low | 40.1 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 55.8 | 90.9 | 133.2 | -40.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 406 | K | 36.1 | Very low | 39.5 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | 33.3 | 116.5 | 116.7 | -162.7 | -146.9 | 178 | -130.5 | 0 | 119.7 | E408 | K406-E408 IonicContact NZ-OE1 2.79Å; K406-E408 PolarHBondContact NZ-OE1 2.86Å | |||
| 407 | E | 30.5 | Very low | 39.5 | Very low | 152 Ų | 152 | 146 Ų | 146 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | 179.5 | 112.2 | 115.2 | -95.3 | 176 | 177.6 | 0 | 0 | 108.9 | |||||
| 408 | E | 31.4 | Very low | 39.6 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | 91.3 | 150.6 | 86 | -119.1 | 171.3 | -113.2 | 0 | 0 | 113.1 | K406 | K406-E408 IonicContact NZ-OE1 2.79Å; K406-E408 PolarHBondContact NZ-OE1 2.86Å | |||
| 409 | Q | 35.1 | Very low | 40 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -101 | 169.9 | -151.2 | -135.5 | -178.1 | 5 | 0 | 0 | 112.2 | ||||
| 410 | P | 39.8 | Very low | 40.1 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | -139.7 | 155 | 78.6 | 36.8 | -20.8 | 0 | 0 | 0 | 115.7 | |||||
| 411 | S | 39.3 | Very low | 40.8 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | trans | -82.9 | 145.7 | 174.9 | 39.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 412 | T | 29.5 | Very low | 41.7 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | trans | -123.4 | 121.9 | 139.7 | 46.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 413 | E | 34.7 | Very low | 42 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | -69.4 | 141.4 | 177.6 | -62 | 162.8 | 118.3 | 0 | 0 | 110.1 | ||||
| 414 | T | 28.4 | Very low | 43.8 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | -179.7 | 113.2 | 108.9 | 35.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 415 | N | 39.4 | Very low | 45.7 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | trans | 62.6 | 133.1 | 143.5 | -60.1 | -55.9 | 0 | 0 | 0 | 122.4 | ||||
| 416 | Q | 36.6 | Very low | 47.5 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | trans | 80 | 82.7 | 163.7 | -55.9 | -63 | -15.9 | 0 | 0 | 119.6 | ||||
| 417 | P | 52.7 | Low | 49.2 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -90.3 | 97.6 | 162.6 | 34.6 | -27.1 | 0 | 0 | 0 | 110.9 | ||||
| 418 | A | 55.2 | Low | 51.7 | Low | 59 Ų | 59 | 122.3 Ų | 122.3 | 49% | 0.488 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -165 | -26 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | T422 | A418-T422 PolarHBondContact O-OG1 3.34Š|
| 419 | K | 52.9 | Low | 54.2 | Low | 156 Ų | 156 | 120 Ų | 120 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -117.9 | -53.9 | -168.7 | -63.1 | -176.7 | -177.8 | -178.9 | 0 | 113 | E421 T422 Y423 | K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 PolarHBondContact O-N 3.2Å; K419-T422 PolarHBondContact O-N 3.31Å; K419-Y423 HydrophobicContact CB-CD2 4.42Å; K419-Y423 HydrophobicContact CB-CE2 4.17Å; K419-Y423 WeakPolarHBondContact O-CD2 3.25Å; K419-Y423 PolarHBondContact O-N 2.89Å |
| 420 | S | 52.1 | Low | 56.2 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 54% | 0.538 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -57.1 | -41 | 179.1 | 47.9 | 0 | 0 | 0 | 0 | 113 | Y423 L424 | S420-Y423 PolarHBondContact O-N 3.49Å; S420-L424 WeakPolarHBondContact O-CB 3.37Å; S420-L424 VanDerWaalsContact O-CG 3.27Å; S420-L424 WeakPolarHBondContact O-CG 3.4Å; S420-L424 PolarHBondContact O-N 2.82Å |
| 421 | E | 64.4 | Low | 58 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.3 | -40.3 | 178 | -170.2 | 157.3 | -151.4 | 0 | 0 | 112.3 | K419 L424 E425 | K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 PolarHBondContact O-N 3.2Å; E421-L424 PolarHBondContact O-N 2.86Å; E421-E425 WeakPolarHBondContact O-CB 3.23Å; E421-E425 PolarHBondContact O-N 2.94Å |
| 422 | T | 65.4 | Low | 59.8 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 55% | 0.546 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 173 | -50.5 | 0 | 0 | 0 | 0 | 112 | A418 K419 E425 A426 | A418-T422 PolarHBondContact O-OG1 3.34Å; K419-T422 PolarHBondContact O-N 3.31Å; T422-E425 PolarHBondContact O-N 2.88Å; T422-A426 VanDerWaalsContact O-CB 3.3Å; T422-A426 WeakPolarHBondContact O-CB 3.5Å; T422-A426 PolarHBondContact O-N 3.31Å |
| 423 | Y | 54.1 | Low | 62.2 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.7 | -42.8 | 172.2 | -73.2 | -61 | 0 | 0 | 0 | 111.9 | K419 S420 E425 A426 I427 | K419-Y423 HydrophobicContact CB-CD2 4.42Å; K419-Y423 HydrophobicContact CB-CE2 4.17Å; K419-Y423 WeakPolarHBondContact O-CD2 3.25Å; K419-Y423 PolarHBondContact O-N 2.89Å; S420-Y423 PolarHBondContact O-N 3.49Å; Y423-E425 VanDerWaalsContact C-N 3.34Å; Y423-E425 PolarHBondContact O-N 3.28Å; Y423-A426 PolarHBondContact O-N 3.08Å; Y423-I427 WeakPolarHBondContact O-CB 3.39Å; Y423-I427 WeakPolarHBondContact O-CD1 3.33Å; Y423-I427 WeakPolarHBondContact O-CG1 3.5Å; Y423-I427 PolarHBondContact O-N 3.43Å |
| 424 | L | 72 | Confident | 63.5 | Low | 93 Ų | 93 | 114.8 Ų | 114.8 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.4 | -35.9 | 176.1 | -73.3 | 169.8 | 0 | 0 | 0 | 112.2 | S420 E421 I427 R428 | S420-L424 WeakPolarHBondContact O-CB 3.37Å; S420-L424 VanDerWaalsContact O-CG 3.27Å; S420-L424 WeakPolarHBondContact O-CG 3.4Å; S420-L424 PolarHBondContact O-N 2.82Å; E421-L424 PolarHBondContact O-N 2.86Å; L424-I427 PolarHBondContact O-N 3.47Å; L424-R428 WeakPolarHBondContact O-CB 3.25Å; L424-R428 VanDerWaalsContact O-CG 3.26Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 3.03Å |
| 425 | E | 75.9 | Confident | 65.8 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.8 | -37.5 | 174.9 | -154.1 | -169 | -136.5 | 0 | 0 | 112 | E421 T422 Y423 R428 K429 | E421-E425 WeakPolarHBondContact O-CB 3.23Å; E421-E425 PolarHBondContact O-N 2.94Å; T422-E425 PolarHBondContact O-N 2.88Å; Y423-E425 VanDerWaalsContact C-N 3.34Å; Y423-E425 PolarHBondContact O-N 3.28Å; E425-R428 PolarHBondContact O-N 3.2Å; E425-K429 WeakPolarHBondContact O-CB 3.35Å; E425-K429 WeakPolarHBondContact O-CG 3.5Å; E425-K429 PolarHBondContact O-N 3.29Å; E425-K429 IonicContact OE1-NZ 2.69Å; E425-K429 IonicContact OE2-NZ 2.68Å; E425-K429 PolarHBondContact OE2-NZ 3.28Å |
| 426 | A | 71 | Confident | 67.3 | Low | 54 Ų | 54 | 118.1 Ų | 118.1 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -42.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T422 Y423 K429 N430 | T422-A426 VanDerWaalsContact O-CB 3.3Å; T422-A426 WeakPolarHBondContact O-CB 3.5Å; T422-A426 PolarHBondContact O-N 3.31Å; Y423-A426 PolarHBondContact O-N 3.08Å; A426-K429 PolarHBondContact O-N 2.9Å; A426-N430 VanDerWaalsContact O-CB 3.23Å; A426-N430 WeakPolarHBondContact O-CB 3.42Å; A426-N430 PolarHBondContact O-N 3.29Å |
| 427 | I | 71.8 | Confident | 68.3 | Low | 91 Ų | 91 | 115.4 Ų | 115.4 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -44.9 | 173.9 | -71.2 | 162.1 | 0 | 0 | 0 | 110.5 | Y423 L424 N430 I431 | Y423-I427 WeakPolarHBondContact O-CB 3.39Å; Y423-I427 WeakPolarHBondContact O-CD1 3.33Å; Y423-I427 WeakPolarHBondContact O-CG1 3.5Å; Y423-I427 PolarHBondContact O-N 3.43Å; L424-I427 PolarHBondContact O-N 3.47Å; I427-N430 PolarHBondContact O-N 2.76Å; I427-I431 HydrophobicContact CG2-CD1 3.73Å; I427-I431 HydrophobicContact CG2-CG1 4.45Å; I427-I431 WeakPolarHBondContact O-CB 3.39Å; I427-I431 VanDerWaalsContact O-CG1 3.26Å; I427-I431 WeakPolarHBondContact O-CG1 3.21Å; I427-I431 PolarHBondContact O-N 3.47Å |
| 428 | R | 83.3 | Confident | 68.2 | Low | 169 Ų | 169 | 116.4 Ų | 116.4 | 64% | 0.638 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.5 | -46.1 | 175 | -75.3 | 171.1 | -173.6 | 164.2 | 4.3 | 112.1 | L424 E425 N430 I431 E432 | L424-R428 WeakPolarHBondContact O-CB 3.25Å; L424-R428 VanDerWaalsContact O-CG 3.26Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 3.03Å; E425-R428 PolarHBondContact O-N 3.2Å; R428-N430 VanDerWaalsContact C-N 3.33Å; R428-N430 PolarHBondContact O-N 3.09Å; R428-I431 PolarHBondContact O-N 2.69Å; R428-E432 WeakPolarHBondContact O-CB 3.5Å; R428-E432 PolarHBondContact O-N 3.41Å |
| 429 | K | 85.5 | Confident | 68.1 | Low | 118 Ų | 118 | 122.5 Ų | 122.5 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -35.2 | 176.6 | -76.8 | 168.2 | 177 | 160 | 0 | 112.1 | E425 A426 E432 W433 | E425-K429 WeakPolarHBondContact O-CB 3.35Å; E425-K429 WeakPolarHBondContact O-CG 3.5Å; E425-K429 PolarHBondContact O-N 3.29Å; E425-K429 IonicContact OE1-NZ 2.69Å; E425-K429 IonicContact OE2-NZ 2.68Å; E425-K429 PolarHBondContact OE2-NZ 3.28Å; A426-K429 PolarHBondContact O-N 2.9Å; K429-E432 PolarHBondContact O-N 3.06Å; K429-W433 VanDerWaalsContact O-CB 3.24Å; K429-W433 WeakPolarHBondContact O-CB 3.19Å; K429-W433 PolarHBondContact O-N 3.49Å |
| 430 | N | 75.8 | Confident | 67.7 | Low | 94 Ų | 94 | 122.8 Ų | 122.8 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.6 | -44.6 | 174.9 | -165.7 | -53.6 | 0 | 0 | 0 | 111.2 | A426 I427 R428 E432 W433 L434 | A426-N430 VanDerWaalsContact O-CB 3.23Å; A426-N430 WeakPolarHBondContact O-CB 3.42Å; A426-N430 PolarHBondContact O-N 3.29Å; I427-N430 PolarHBondContact O-N 2.76Å; R428-N430 VanDerWaalsContact C-N 3.33Å; R428-N430 PolarHBondContact O-N 3.09Å; N430-E432 VanDerWaalsContact C-N 3.34Å; N430-E432 PolarHBondContact O-N 3.46Å; N430-W433 PolarHBondContact O-N 2.95Å; N430-L434 WeakPolarHBondContact O-CB 3.44Å; N430-L434 PolarHBondContact O-N 3.36Å; N430-L434 WeakPolarHBondContact OD1-CD1 3.38Å |
| 431 | I | 77.1 | Confident | 67.1 | Low | 100 Ų | 100 | 127.9 Ų | 127.9 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.3 | -40.5 | 172.6 | -68.7 | 165 | 0 | 0 | 0 | 111.5 | I427 R428 K435 | I427-I431 HydrophobicContact CG2-CD1 3.73Å; I427-I431 HydrophobicContact CG2-CG1 4.45Å; I427-I431 WeakPolarHBondContact O-CB 3.39Å; I427-I431 VanDerWaalsContact O-CG1 3.26Å; I427-I431 WeakPolarHBondContact O-CG1 3.21Å; I427-I431 PolarHBondContact O-N 3.47Å; R428-I431 PolarHBondContact O-N 2.69Å; I431-K435 VanDerWaalsContact O-CB 3.23Å; I431-K435 WeakPolarHBondContact O-CB 3.38Å; I431-K435 PolarHBondContact O-N 2.68Å |
| 432 | E | 78.9 | Confident | 66.5 | Low | 135 Ų | 135 | 124.9 Ų | 124.9 | 63% | 0.631 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.9 | -39 | 176.9 | -171.3 | 173.2 | -163.9 | 0 | 0 | 112 | R428 K429 N430 K435 K436 | R428-E432 WeakPolarHBondContact O-CB 3.5Å; R428-E432 PolarHBondContact O-N 3.41Å; K429-E432 PolarHBondContact O-N 3.06Å; N430-E432 VanDerWaalsContact C-N 3.34Å; N430-E432 PolarHBondContact O-N 3.46Å; E432-K435 PolarHBondContact O-N 2.82Å; E432-K436 WeakPolarHBondContact O-CB 3.34Å; E432-K436 PolarHBondContact O-N 3.29Å |
| 433 | W | 78.2 | Confident | 65.8 | Low | 152 Ų | 152 | 130 Ų | 130 | 58% | 0.576 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.1 | -49.3 | 172.9 | -176.1 | 86.2 | 0 | 0 | 0 | 111.4 | K429 N430 K435 K436 H437 | K429-W433 VanDerWaalsContact O-CB 3.24Å; K429-W433 WeakPolarHBondContact O-CB 3.19Å; K429-W433 PolarHBondContact O-N 3.49Å; N430-W433 PolarHBondContact O-N 2.95Å; W433-K435 VanDerWaalsContact C-N 3.33Å; W433-K435 PolarHBondContact O-N 2.95Å; W433-K436 PolarHBondContact O-N 3.43Å; W433-H437 AromaticContact CD1-CD2 3.65Å; W433-H437 AromaticContact CD1-NE2 3.84Å; W433-H437 AromaticContact CD2-CD2 3.83Å; W433-H437 AromaticContact CE2-CD2 3.4Å; W433-H437 AromaticContact CE2-NE2 3.77Å; W433-H437 AromaticContact CG-CD2 3.97Å; W433-H437 AromaticContact CZ2-CD2 3.87Å; W433-H437 AromaticContact NE1-CD2 3.27Å; W433-H437 PolarHBondContact NE1-CD2 3.32Å; W433-H437 VanDerWaalsContact NE1-CD2 3.27Å; W433-H437 AromaticContact NE1-NE2 3.26Å; W433-H437 PolarHBondContact NE1-NE2 3.23Å; W433-H437 PolarHBondContact O-CD2 2.86Å; W433-H437 PolarHBondContact O-N 2.83Å |
| 434 | L | 63.3 | Low | 65.6 | Low | 93 Ų | 93 | 128.1 Ų | 128.1 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -54.1 | -47.6 | 171.2 | -87.2 | 159.3 | 0 | 0 | 0 | 111.2 | N430 K436 H437 N438 | N430-L434 WeakPolarHBondContact O-CB 3.44Å; N430-L434 PolarHBondContact O-N 3.36Å; N430-L434 WeakPolarHBondContact OD1-CD1 3.38Å; L434-K436 PolarHBondContact O-N 3.25Å; L434-H437 PolarHBondContact O-N 3.1Å; L434-N438 WeakPolarHBondContact O-CB 3.41Å; L434-N438 PolarHBondContact O-N 3.05Å |
| 435 | K | 75.8 | Confident | 64.5 | Low | 170 Ų | 170 | 131.6 Ų | 131.6 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.5 | -25.5 | 178.7 | -172 | 175.1 | -177.9 | 178.3 | 0 | 113.5 | I431 E432 W433 | I431-K435 VanDerWaalsContact O-CB 3.23Å; I431-K435 WeakPolarHBondContact O-CB 3.38Å; I431-K435 PolarHBondContact O-N 2.68Å; E432-K435 PolarHBondContact O-N 2.82Å; W433-K435 VanDerWaalsContact C-N 3.33Å; W433-K435 PolarHBondContact O-N 2.95Å |
| 436 | K | 70.9 | Confident | 63.4 | Low | 163 Ų | 163 | 135.5 Ų | 135.5 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83.9 | -35.9 | 177.6 | -168.1 | 176.1 | -179.1 | -177.6 | 0 | 112.4 | E432 W433 L434 | E432-K436 WeakPolarHBondContact O-CB 3.34Å; E432-K436 PolarHBondContact O-N 3.29Å; W433-K436 PolarHBondContact O-N 3.43Å; L434-K436 PolarHBondContact O-N 3.25Å |
| 437 | H | 57.2 | Low | 63.1 | Low | 101 Ų | 101 | 138.4 Ų | 138.4 | 47% | 0.468 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -88.7 | -29.2 | 179.6 | -77.9 | -82.7 | 0 | 0 | 0 | 113.8 | W433 L434 K439 E440 | W433-H437 AromaticContact CD1-CD2 3.65Å; W433-H437 AromaticContact CD1-NE2 3.84Å; W433-H437 AromaticContact CD2-CD2 3.83Å; W433-H437 AromaticContact CE2-CD2 3.4Å; W433-H437 AromaticContact CE2-NE2 3.77Å; W433-H437 AromaticContact CG-CD2 3.97Å; W433-H437 AromaticContact CZ2-CD2 3.87Å; W433-H437 AromaticContact NE1-CD2 3.27Å; W433-H437 PolarHBondContact NE1-CD2 3.32Å; W433-H437 VanDerWaalsContact NE1-CD2 3.27Å; W433-H437 AromaticContact NE1-NE2 3.26Å; W433-H437 PolarHBondContact NE1-NE2 3.23Å; W433-H437 PolarHBondContact O-CD2 2.86Å; W433-H437 PolarHBondContact O-N 2.83Å; L434-H437 PolarHBondContact O-N 3.1Å; H437-K439 PolarHBondContact O-N 2.69Å; H437-E440 PolarHBondContact O-N 3.45Å |
| 438 | N | 50.9 | Low | 62.9 | Low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 28.4 | 173.2 | -162.5 | 34.4 | 0 | 0 | 0 | 113.2 | L434 | L434-N438 WeakPolarHBondContact O-CB 3.41Å; L434-N438 PolarHBondContact O-N 3.05Å |
| 439 | K | 52.7 | Low | 62.1 | Low | 186 Ų | 186 | 134.7 Ų | 134.7 | 81% | 0.809 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -13 | 176.1 | -160.3 | 178.6 | 180 | -173.5 | 0 | 112.2 | H437 | H437-K439 PolarHBondContact O-N 2.69Š|
| 440 | E | 45.8 | Very low | 61.6 | Low | 163 Ų | 163 | 136.5 Ų | 136.5 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -101.1 | 138.7 | 164.9 | -68.8 | 179.3 | 163.9 | 0 | 0 | 107.7 | H437 | H437-E440 PolarHBondContact O-N 3.45Š|
| 441 | E | 39.9 | Very low | 61.6 | Low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | trans | 66 | 76 | -176 | -52.6 | -156.4 | 129 | 0 | 0 | 116.8 | ||||
| 442 | G | 51.9 | Low | 61.7 | Low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | trans | -65.1 | 159.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 443 | K | 50.5 | Low | 61.7 | Low | 196 Ų | 196 | 133.2 Ų | 133.2 | 85% | 0.852 | 65% | 0.651 | S | S | * | * | trans | 86.5 | 72.7 | -159.1 | -55.7 | 168.5 | -171.6 | 168.6 | 0 | 112.7 | ||||
| 444 | N | 49.9 | Very low | 61.9 | Low | 121 Ų | 121 | 131.2 Ų | 131.2 | 65% | 0.647 | 65% | 0.646 | S | S | * | * | -171.8 | 81.7 | 128.9 | -87.8 | -29.2 | 0 | 0 | 0 | 107.6 | Y446 | N444-Y446 HydrophobicContact CB-CD2 3.64Å; N444-Y446 HydrophobicContact CB-CE2 3.79Å; N444-Y446 PolarHBondContact O-N 3.49Å | |||
| 445 | D | 48.4 | Very low | 62.9 | Low | 167 Ų | 167 | 128.6 Ų | 128.6 | 89% | 0.893 | 63% | 0.632 | S | S | * | * | trans | -67.1 | 76.1 | 152.6 | -66.4 | -39 | 0 | 0 | 0 | 106.3 | D447 | D445-D447 PolarHBondContact O-N 3.01Å; D445-D447 VanDerWaalsContact O-N 3.09Å | ||
| 446 | Y | 52.9 | Low | 63.3 | Low | 182 Ų | 182 | 122.1 Ų | 122.1 | 71% | 0.714 | 61% | 0.606 | S | S | * | * | trans | -55.2 | 116.1 | 172.8 | -98 | -80 | 0 | 0 | 0 | 107 | N444 L448 | N444-Y446 HydrophobicContact CB-CD2 3.64Å; N444-Y446 HydrophobicContact CB-CE2 3.79Å; N444-Y446 PolarHBondContact O-N 3.49Å; Y446-L448 PolarHBondContact O-N 3.37Å | ||
| 447 | D | 64.6 | Low | 64.1 | Low | 115 Ų | 115 | 121 Ų | 121 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | trans | -45.7 | 93.5 | -168.3 | -77.9 | -50.4 | 0 | 0 | 0 | 112.5 | D445 S449 K450 L451 | D445-D447 PolarHBondContact O-N 3.01Å; D445-D447 VanDerWaalsContact O-N 3.09Å; D447-S449 PolarHBondContact O-N 2.86Å; D447-K450 HydrophobicContact CB-CB 3.71Å; D447-K450 WeakPolarHBondContact O-CA 3.28Å; D447-K450 WeakPolarHBondContact O-CB 3.48Å; D447-K450 PolarHBondContact O-N 3.47Å; D447-L451 PolarHBondContact O-N 3.49Å; D447-L451 VanDerWaalsContact O-N 3.09Å | ||
| 448 | L | 66.5 | Low | 65.5 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.9 | -31.2 | 179.8 | -68.9 | 171.1 | 0 | 0 | 0 | 110.3 | Y446 K450 L451 K452 | Y446-L448 PolarHBondContact O-N 3.37Å; L448-K450 PolarHBondContact O-N 2.86Å; L448-L451 PolarHBondContact O-N 3.29Å; L448-K452 VanDerWaalsContact O-CB 3.24Å; L448-K452 WeakPolarHBondContact O-CB 3.26Å; L448-K452 PolarHBondContact O-N 3.06Å |
| 449 | S | 67.8 | Low | 67.3 | Low | 84 Ų | 84 | 112.8 Ų | 112.8 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.1 | -42.1 | 169.5 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | D447 K452 D453 | D447-S449 PolarHBondContact O-N 2.86Å; S449-K452 PolarHBondContact O-N 3.09Å; S449-D453 VanDerWaalsContact O-CG 3.23Å; S449-D453 PolarHBondContact O-N 3.36Å |
| 450 | K | 75.1 | Confident | 69 | Low | 156 Ų | 156 | 107.8 Ų | 107.8 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.4 | -35.5 | -179.4 | -168.5 | 179.5 | -178.2 | -176.1 | 0 | 111.8 | D447 L448 F454 | D447-K450 HydrophobicContact CB-CB 3.71Å; D447-K450 WeakPolarHBondContact O-CA 3.28Å; D447-K450 WeakPolarHBondContact O-CB 3.48Å; D447-K450 PolarHBondContact O-N 3.47Å; L448-K450 PolarHBondContact O-N 2.86Å; K450-F454 WeakPolarHBondContact O-CB 3.29Å; K450-F454 PolarHBondContact O-N 2.9Å |
| 451 | L | 75.6 | Confident | 71.1 | Confident | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 170.3 | 177.9 | 61.1 | 0 | 0 | 0 | 110.9 | D447 L448 F454 M455 | D447-L451 PolarHBondContact O-N 3.49Å; D447-L451 VanDerWaalsContact O-N 3.09Å; L448-L451 PolarHBondContact O-N 3.29Å; L451-F454 PolarHBondContact O-N 3.17Å; L451-M455 HydrophobicContact CD1-CG 4.25Å; L451-M455 WeakPolarHBondContact O-CB 3.48Å; L451-M455 VanDerWaalsContact O-CG 3.29Å; L451-M455 WeakPolarHBondContact O-CG 3.36Å; L451-M455 PolarHBondContact O-N 2.97Å |
| 452 | K | 78.4 | Confident | 73.3 | Confident | 70 Ų | 70 | 97.1 Ų | 97.1 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -51.8 | 176.6 | 178.5 | -175 | 170.4 | 172.4 | 0 | 112 | L448 S449 F454 M455 D456 S481 | L448-K452 VanDerWaalsContact O-CB 3.24Å; L448-K452 WeakPolarHBondContact O-CB 3.26Å; L448-K452 PolarHBondContact O-N 3.06Å; S449-K452 PolarHBondContact O-N 3.09Å; K452-F454 PolarHBondContact O-N 3.44Å; K452-M455 PolarHBondContact O-N 3.35Å; K452-M455 VanDerWaalsContact O-N 3.09Å; K452-D456 PolarHBondContact O-N 3.1Å; K452-S481 WeakPolarHBondContact CE-OG 3.24Å; K452-S481 PolarHBondContact NZ-OG 3.09Å |
| 453 | D | 78.7 | Confident | 75.1 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 57% | 0.572 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.7 | -38.8 | -179.7 | -70.4 | -14.2 | 0 | 0 | 0 | 111.4 | S449 Q457 | S449-D453 VanDerWaalsContact O-CG 3.23Å; S449-D453 PolarHBondContact O-N 3.36Å; D453-Q457 WeakPolarHBondContact O-CB 3.17Å; D453-Q457 PolarHBondContact O-N 3.19Å; D453-Q457 VanDerWaalsContact O-N 3.15Å |
| 454 | F | 84.2 | Confident | 76.8 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 48% | 0.478 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 174 | 178.1 | -97.7 | 0 | 0 | 0 | 112.6 | K450 L451 K452 Q457 Q458 | K450-F454 WeakPolarHBondContact O-CB 3.29Å; K450-F454 PolarHBondContact O-N 2.9Å; L451-F454 PolarHBondContact O-N 3.17Å; K452-F454 PolarHBondContact O-N 3.44Å; F454-Q457 PolarHBondContact O-N 3.45Å; F454-Q458 HydrophobicContact CD1-CG 4.23Å; F454-Q458 HydrophobicContact CE1-CG 3.8Å; F454-Q458 HydrophobicContact CE2-CG 4.11Å; F454-Q458 HydrophobicContact CZ-CG 3.74Å; F454-Q458 WeakPolarHBondContact O-CG 3.16Å; F454-Q458 PolarHBondContact O-N 3.02Å |
| 455 | M | 84.1 | Confident | 78.6 | Confident | 38 Ų | 38 | 95.1 Ų | 95.1 | 19% | 0.187 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 178 | -73.5 | -60.7 | -55.1 | 0 | 0 | 112 | L451 K452 Q457 Q458 V459 I476 Y480 | L451-M455 HydrophobicContact CD1-CG 4.25Å; L451-M455 WeakPolarHBondContact O-CB 3.48Å; L451-M455 VanDerWaalsContact O-CG 3.29Å; L451-M455 WeakPolarHBondContact O-CG 3.36Å; L451-M455 PolarHBondContact O-N 2.97Å; K452-M455 PolarHBondContact O-N 3.35Å; K452-M455 VanDerWaalsContact O-N 3.09Å; M455-Q457 VanDerWaalsContact C-N 3.31Å; M455-Q457 PolarHBondContact O-N 2.93Å; M455-Q458 PolarHBondContact O-N 3.45Å; M455-V459 WeakPolarHBondContact O-CB 3.39Å; M455-V459 VanDerWaalsContact O-CG2 3.28Å; M455-V459 WeakPolarHBondContact O-CG2 3.47Å; M455-V459 PolarHBondContact O-N 3.44Å; M455-I476 HydrophobicContact CE-CG2 4.34Å; M455-Y480 HydrophobicContact CB-CD1 4.39Å; M455-Y480 HydrophobicContact CB-CG 4.33Å; M455-Y480 HydrophobicContact CE-CD2 4.03Å; M455-Y480 HydrophobicContact CE-CE1 4.2Å; M455-Y480 HydrophobicContact CE-CE2 3.63Å; M455-Y480 HydrophobicContact CE-CG 4.47Å; M455-Y480 HydrophobicContact CG-CD1 3.81Å; M455-Y480 HydrophobicContact CG-CE1 3.91Å; M455-Y480 HydrophobicContact CG-CG 4.2Å; M455-Y480 HydrophobicContact SD-CE1 4.29Å |
| 456 | D | 83.3 | Confident | 80.4 | Confident | 35 Ų | 35 | 90.3 Ų | 90.3 | 19% | 0.187 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 176 | -79.3 | -18.8 | 0 | 0 | 0 | 110.8 | K452 V459 D460 K477 | K452-D456 PolarHBondContact O-N 3.1Å; D456-V459 PolarHBondContact O-N 3.05Å; D456-D460 PolarHBondContact O-N 2.86Å; D456-K477 HydrophobicContact CB-CD 4.45Å; D456-K477 VanDerWaalsContact O-CE 3.26Å; D456-K477 WeakPolarHBondContact O-CE 3.41Å; D456-K477 PolarHBondContact O-NZ 3.18Å; D456-K477 WeakPolarHBondContact OD1-CB 3.33Å; D456-K477 WeakPolarHBondContact OD1-CD 3.35Å; D456-K477 WeakPolarHBondContact OD1-CG 3.13Å |
| 457 | Q | 88.6 | Confident | 81.9 | Confident | 139 Ų | 139 | 86.9 Ų | 86.9 | 65% | 0.65 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.8 | -37.9 | 178.4 | -168.9 | 176 | 23.8 | 0 | 0 | 113.5 | D453 F454 M455 S461 | D453-Q457 WeakPolarHBondContact O-CB 3.17Å; D453-Q457 PolarHBondContact O-N 3.19Å; D453-Q457 VanDerWaalsContact O-N 3.15Å; F454-Q457 PolarHBondContact O-N 3.45Å; M455-Q457 VanDerWaalsContact C-N 3.31Å; M455-Q457 PolarHBondContact O-N 2.93Å; Q457-S461 WeakPolarHBondContact O-CB 3.34Å; Q457-S461 PolarHBondContact O-N 3.12Å; Q457-S461 VanDerWaalsContact O-N 3.09Å |
| 458 | Q | 85.6 | Confident | 82.9 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 175.3 | -71.7 | -64.1 | -15.2 | 0 | 0 | 112 | F454 M455 S461 Y462 | F454-Q458 HydrophobicContact CD1-CG 4.23Å; F454-Q458 HydrophobicContact CE1-CG 3.8Å; F454-Q458 HydrophobicContact CE2-CG 4.11Å; F454-Q458 HydrophobicContact CZ-CG 3.74Å; F454-Q458 WeakPolarHBondContact O-CG 3.16Å; F454-Q458 PolarHBondContact O-N 3.02Å; M455-Q458 PolarHBondContact O-N 3.45Å; Q458-S461 WeakPolarHBondContact O-CB 3.24Å; Q458-S461 PolarHBondContact O-N 3.35Å; Q458-Y462 PolarHBondContact O-N 2.92Å |
| 459 | V | 88.4 | Confident | 83.9 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.03 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 111 | M455 D456 S461 Y462 I463 I476 K477 | M455-V459 WeakPolarHBondContact O-CB 3.39Å; M455-V459 VanDerWaalsContact O-CG2 3.28Å; M455-V459 WeakPolarHBondContact O-CG2 3.47Å; M455-V459 PolarHBondContact O-N 3.44Å; D456-V459 PolarHBondContact O-N 3.05Å; V459-S461 VanDerWaalsContact C-N 3.35Å; V459-S461 PolarHBondContact O-N 3.5Å; V459-Y462 PolarHBondContact O-N 3.36Å; V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 HydrophobicContact CG1-CG1 4.4Å; V459-I463 VanDerWaalsContact O-CG1 3.32Å; V459-I463 WeakPolarHBondContact O-CG1 3.38Å; V459-I463 PolarHBondContact O-N 3.42Å; V459-I476 HydrophobicContact CG2-CB 4.23Å; V459-I476 HydrophobicContact CG2-CG2 3.73Å; V459-K477 HydrophobicContact CB-CG 4.14Å; V459-K477 HydrophobicContact CG1-CD 4.36Å; V459-K477 HydrophobicContact CG1-CG 3.95Å; V459-K477 HydrophobicContact CG2-CG 4.44Å |
| 460 | D | 88.2 | Confident | 84.9 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 43% | 0.428 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173.6 | -76 | -36.3 | 0 | 0 | 0 | 112.2 | D456 Y462 I463 E464 K477 | D456-D460 PolarHBondContact O-N 2.86Å; D460-Y462 VanDerWaalsContact C-N 3.28Å; D460-Y462 PolarHBondContact O-N 3.29Å; D460-I463 PolarHBondContact O-N 3.15Å; D460-E464 WeakPolarHBondContact O-CB 3.23Å; D460-E464 PolarHBondContact O-N 2.94Å; D460-K477 IonicContact OD1-NZ 2.61Å; D460-K477 PolarHBondContact OD1-NZ 3.1Å; D460-K477 IonicContact OD2-NZ 2.7Å; D460-K477 PolarHBondContact OD2-NZ 3.42Å |
| 461 | S | 90.4 | Very high | 85.4 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.1 | -36.4 | 175 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | Q457 Q458 V459 K465 | Q457-S461 WeakPolarHBondContact O-CB 3.34Å; Q457-S461 PolarHBondContact O-N 3.12Å; Q457-S461 VanDerWaalsContact O-N 3.09Å; Q458-S461 WeakPolarHBondContact O-CB 3.24Å; Q458-S461 PolarHBondContact O-N 3.35Å; V459-S461 VanDerWaalsContact C-N 3.35Å; V459-S461 PolarHBondContact O-N 3.5Å; S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 WeakPolarHBondContact O-CD 3.37Å; S461-K465 WeakPolarHBondContact O-CG 3.38Å; S461-K465 PolarHBondContact O-N 2.84Å; S461-K465 VanDerWaalsContact O-N 3.1Å; S461-K465 PolarHBondContact OG-NZ 3.4Å |
| 462 | Y | 87.2 | Confident | 85.8 | Confident | 95 Ų | 95 | 82.8 Ų | 82.8 | 37% | 0.373 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -80.7 | -28.7 | 177.6 | -68.3 | -17.6 | 0 | 0 | 0 | 113.8 | Q458 V459 D460 G466 I467 I468 | Q458-Y462 PolarHBondContact O-N 2.92Å; V459-Y462 PolarHBondContact O-N 3.36Å; D460-Y462 VanDerWaalsContact C-N 3.28Å; D460-Y462 PolarHBondContact O-N 3.29Å; Y462-G466 PolarHBondContact O-N 3.26Å; Y462-I467 HydrophobicContact CD1-CD1 3.86Å; Y462-I467 HydrophobicContact CE1-CD1 4.3Å; Y462-I467 PolarHBondContact O-N 3.39Å; Y462-I468 HydrophobicContact CD2-CD1 3.82Å; Y462-I468 HydrophobicContact CG-CD1 4.37Å; Y462-I468 PolarHBondContact O-N 3.21Å |
| 463 | I | 88.3 | Confident | 86.2 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.2 | -45.2 | 168.2 | -65 | 164.6 | 0 | 0 | 0 | 110 | V459 D460 K465 G466 K470 | V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 HydrophobicContact CG1-CG1 4.4Å; V459-I463 VanDerWaalsContact O-CG1 3.32Å; V459-I463 WeakPolarHBondContact O-CG1 3.38Å; V459-I463 PolarHBondContact O-N 3.42Å; D460-I463 PolarHBondContact O-N 3.15Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.84Å; I463-G466 PolarHBondContact O-N 3.09Å; I463-K470 HydrophobicContact CG2-CB 4.32Å; I463-K470 HydrophobicContact CG2-CG 4.48Å |
| 464 | E | 87.4 | Confident | 86.5 | Confident | 172 Ų | 172 | 77.7 Ų | 77.7 | 80% | 0.804 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63 | -36.6 | 179.1 | -174.5 | 174.6 | -156.6 | 0 | 0 | 112.3 | D460 G466 | D460-E464 WeakPolarHBondContact O-CB 3.23Å; D460-E464 PolarHBondContact O-N 2.94Å; E464-G466 VanDerWaalsContact C-N 3.29Å; E464-G466 PolarHBondContact O-N 2.91Å |
| 465 | K | 87.8 | Confident | 86.5 | Confident | 132 Ų | 132 | 75.3 Ų | 75.3 | 57% | 0.574 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3.7 | 174.1 | -69.6 | 166.9 | -174.8 | 158.5 | 0 | 114.3 | S461 I463 I467 | S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 WeakPolarHBondContact O-CD 3.37Å; S461-K465 WeakPolarHBondContact O-CG 3.38Å; S461-K465 PolarHBondContact O-N 2.84Å; S461-K465 VanDerWaalsContact O-N 3.1Å; S461-K465 PolarHBondContact OG-NZ 3.4Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.84Å; K465-I467 VanDerWaalsContact C-N 3.26Å; K465-I467 HydrophobicContact CB-CD1 3.71Å; K465-I467 HydrophobicContact CB-CG1 3.83Å; K465-I467 HydrophobicContact CD-CD1 3.96Å; K465-I467 HydrophobicContact CG-CD1 4.49Å; K465-I467 PolarHBondContact O-N 3.38Å |
| 466 | G | 84.6 | Confident | 86.4 | Confident | 66 Ų | 66 | 76 Ų | 76 | 68% | 0.68 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 21.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y462 I463 E464 | Y462-G466 PolarHBondContact O-N 3.26Å; I463-G466 PolarHBondContact O-N 3.09Å; E464-G466 VanDerWaalsContact C-N 3.29Å; E464-G466 PolarHBondContact O-N 2.91Å |
| 467 | I | 84.9 | Confident | 86.6 | Confident | 109 Ų | 109 | 76 Ų | 76 | 56% | 0.559 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -81.7 | -31.9 | -179.2 | -61.2 | 169.9 | 0 | 0 | 0 | 111 | Y462 K465 | Y462-I467 HydrophobicContact CD1-CD1 3.86Å; Y462-I467 HydrophobicContact CE1-CD1 4.3Å; Y462-I467 PolarHBondContact O-N 3.39Å; K465-I467 VanDerWaalsContact C-N 3.26Å; K465-I467 HydrophobicContact CB-CD1 3.71Å; K465-I467 HydrophobicContact CB-CG1 3.83Å; K465-I467 HydrophobicContact CD-CD1 3.96Å; K465-I467 HydrophobicContact CG-CD1 4.49Å; K465-I467 PolarHBondContact O-N 3.38Å |
| 468 | I | 86.3 | Confident | 86.3 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 21% | 0.21 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -129.8 | 139.3 | -179.6 | -61.9 | -179.3 | 0 | 0 | 0 | 108.6 | Y462 E472 I476 | Y462-I468 HydrophobicContact CD2-CD1 3.82Å; Y462-I468 HydrophobicContact CG-CD1 4.37Å; Y462-I468 PolarHBondContact O-N 3.21Å; I468-E472 HydrophobicContact CG2-CB 3.65Å; I468-I476 HydrophobicContact CD1-CD1 4.31Å |
| 469 | A | 88.2 | Confident | 86 | Confident | 45 Ų | 45 | 78.3 Ų | 78.3 | 37% | 0.372 | 40% | 0.4 | S | S | . | . | trans | -69.4 | 149.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D471 E472 G473 | A469-D471 VanDerWaalsContact C-N 3.27Å; A469-D471 VanDerWaalsContact CB-OD1 3.24Å; A469-D471 WeakPolarHBondContact CB-OD1 3.23Å; A469-D471 PolarHBondContact O-N 3.28Å; A469-E472 HydrophobicContact CB-CB 4.48Å; A469-E472 HydrophobicContact CB-CG 4.1Å; A469-E472 WeakPolarHBondContact CB-OE2 3.45Å; A469-E472 PolarHBondContact N-OE2 2.78Å; A469-E472 VanDerWaalsContact N-OE2 3.12Å; A469-E472 WeakPolarHBondContact O-CB 3.47Å; A469-E472 PolarHBondContact O-N 3.07Å; A469-E472 VanDerWaalsContact O-N 3.11Å; A469-G473 PolarHBondContact O-N 3.34Å | ||
| 470 | K | 86.8 | Confident | 85.3 | Confident | 143 Ų | 143 | 82.2 Ų | 82.2 | 62% | 0.622 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.7 | -37.1 | -171.9 | -175.8 | 175.9 | 178 | 177.9 | 0 | 113.1 | I463 D474 | I463-K470 HydrophobicContact CG2-CB 4.32Å; I463-K470 HydrophobicContact CG2-CG 4.48Å; K470-D474 WeakPolarHBondContact O-CB 3.41Å; K470-D474 VanDerWaalsContact O-CG 3.31Å; K470-D474 PolarHBondContact O-N 3.4Å |
| 471 | D | 86.2 | Confident | 84.6 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 60% | 0.599 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -71.6 | -34.1 | 177.5 | 56.7 | -42.2 | 0 | 0 | 0 | 113.6 | A469 T475 | A469-D471 VanDerWaalsContact C-N 3.27Å; A469-D471 VanDerWaalsContact CB-OD1 3.24Å; A469-D471 WeakPolarHBondContact CB-OD1 3.23Å; A469-D471 PolarHBondContact O-N 3.28Å; D471-T475 WeakPolarHBondContact O-CB 3.19Å; D471-T475 PolarHBondContact O-N 3.26Å; D471-T475 VanDerWaalsContact O-N 3.14Å; D471-T475 PolarHBondContact O-OG1 2.89Å |
| 472 | E | 84 | Confident | 83.6 | Confident | 109 Ų | 109 | 84 Ų | 84 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.4 | -46.7 | 170.4 | -63.3 | 177.8 | 142.8 | 0 | 0 | 110.5 | I468 A469 T475 I476 | I468-E472 HydrophobicContact CG2-CB 3.65Å; A469-E472 HydrophobicContact CB-CB 4.48Å; A469-E472 HydrophobicContact CB-CG 4.1Å; A469-E472 WeakPolarHBondContact CB-OE2 3.45Å; A469-E472 PolarHBondContact N-OE2 2.78Å; A469-E472 VanDerWaalsContact N-OE2 3.12Å; A469-E472 WeakPolarHBondContact O-CB 3.47Å; A469-E472 PolarHBondContact O-N 3.07Å; A469-E472 VanDerWaalsContact O-N 3.11Å; E472-T475 WeakPolarHBondContact O-CA 3.01Å; E472-T475 WeakPolarHBondContact O-CB 3.29Å; E472-T475 PolarHBondContact O-N 3.27Å; E472-T475 VanDerWaalsContact O-N 3.1Å; E472-I476 WeakPolarHBondContact O-CG1 3.23Å; E472-I476 PolarHBondContact O-N 3.31Å |
| 473 | G | 86.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.8 | -49.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A469 T475 I476 K477 | A469-G473 PolarHBondContact O-N 3.34Å; G473-T475 PolarHBondContact O-N 2.86Å; G473-T475 VanDerWaalsContact O-N 3.15Å; G473-I476 PolarHBondContact O-N 3.24Å; G473-K477 WeakPolarHBondContact O-CG 3.46Å; G473-K477 PolarHBondContact O-N 3.4Å |
| 474 | D | 85.1 | Confident | 82.1 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.7 | -27.3 | 174.8 | -78.3 | -21.9 | 0 | 0 | 0 | 112.4 | K470 R478 | K470-D474 WeakPolarHBondContact O-CB 3.41Å; K470-D474 VanDerWaalsContact O-CG 3.31Å; K470-D474 PolarHBondContact O-N 3.4Å; D474-R478 WeakPolarHBondContact O-CB 3.46Å; D474-R478 PolarHBondContact O-N 3.09Å |
| 475 | T | 86 | Confident | 81.8 | Confident | 59 Ų | 59 | 84.1 Ų | 84.1 | 36% | 0.362 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.4 | -40.4 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 112 | D471 E472 G473 R478 I479 | D471-T475 WeakPolarHBondContact O-CB 3.19Å; D471-T475 PolarHBondContact O-N 3.26Å; D471-T475 VanDerWaalsContact O-N 3.14Å; D471-T475 PolarHBondContact O-OG1 2.89Å; E472-T475 WeakPolarHBondContact O-CA 3.01Å; E472-T475 WeakPolarHBondContact O-CB 3.29Å; E472-T475 PolarHBondContact O-N 3.27Å; E472-T475 VanDerWaalsContact O-N 3.1Å; G473-T475 PolarHBondContact O-N 2.86Å; G473-T475 VanDerWaalsContact O-N 3.15Å; T475-R478 WeakPolarHBondContact O-CB 3.47Å; T475-R478 PolarHBondContact O-N 2.95Å; T475-R478 PolarHBondContact OG1-NH1 2.83Å; T475-I479 HydrophobicContact CG2-CD1 4.28Å; T475-I479 WeakPolarHBondContact O-CG1 3.17Å; T475-I479 PolarHBondContact O-N 3.35Å; T475-I479 VanDerWaalsContact O-N 3.1Å |
| 476 | I | 81.5 | Confident | 81.5 | Confident | 52 Ų | 52 | 81.4 Ų | 81.4 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 173 | -65.7 | 163.6 | 0 | 0 | 0 | 110.1 | M455 V459 I468 E472 G473 R478 I479 Y480 | M455-I476 HydrophobicContact CE-CG2 4.34Å; V459-I476 HydrophobicContact CG2-CB 4.23Å; V459-I476 HydrophobicContact CG2-CG2 3.73Å; I468-I476 HydrophobicContact CD1-CD1 4.31Å; E472-I476 WeakPolarHBondContact O-CG1 3.23Å; E472-I476 PolarHBondContact O-N 3.31Å; G473-I476 PolarHBondContact O-N 3.24Å; I476-R478 PolarHBondContact O-N 2.93Å; I476-I479 PolarHBondContact O-N 3.34Å; I476-I479 VanDerWaalsContact O-N 3.1Å; I476-Y480 HydrophobicContact CG2-CD2 3.94Å; I476-Y480 HydrophobicContact CG2-CE2 4.12Å; I476-Y480 WeakPolarHBondContact O-CD2 3.03Å; I476-Y480 PolarHBondContact O-N 2.81Å |
| 477 | K | 86.3 | Confident | 81.3 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -56.6 | -38 | 176.3 | -65.5 | -167.4 | 177.9 | -171.2 | 0 | 112.8 | D456 V459 D460 G473 S481 | D456-K477 HydrophobicContact CB-CD 4.45Å; D456-K477 VanDerWaalsContact O-CE 3.26Å; D456-K477 WeakPolarHBondContact O-CE 3.41Å; D456-K477 PolarHBondContact O-NZ 3.18Å; D456-K477 WeakPolarHBondContact OD1-CB 3.33Å; D456-K477 WeakPolarHBondContact OD1-CD 3.35Å; D456-K477 WeakPolarHBondContact OD1-CG 3.13Å; V459-K477 HydrophobicContact CB-CG 4.14Å; V459-K477 HydrophobicContact CG1-CD 4.36Å; V459-K477 HydrophobicContact CG1-CG 3.95Å; V459-K477 HydrophobicContact CG2-CG 4.44Å; D460-K477 IonicContact OD1-NZ 2.61Å; D460-K477 PolarHBondContact OD1-NZ 3.1Å; D460-K477 IonicContact OD2-NZ 2.7Å; D460-K477 PolarHBondContact OD2-NZ 3.42Å; G473-K477 WeakPolarHBondContact O-CG 3.46Å; G473-K477 PolarHBondContact O-N 3.4Å; K477-S481 WeakPolarHBondContact O-CB 3.42Å; K477-S481 PolarHBondContact O-N 2.68Å; K477-S481 PolarHBondContact O-OG 3.26Å |
| 478 | R | 83.3 | Confident | 81.1 | Confident | 155 Ų | 155 | 80.6 Ų | 80.6 | 59% | 0.585 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 177.2 | -169 | -175 | -55.4 | 117.7 | 11.2 | 112.5 | D474 T475 I476 S482 | D474-R478 WeakPolarHBondContact O-CB 3.46Å; D474-R478 PolarHBondContact O-N 3.09Å; T475-R478 WeakPolarHBondContact O-CB 3.47Å; T475-R478 PolarHBondContact O-N 2.95Å; T475-R478 PolarHBondContact OG1-NH1 2.83Å; I476-R478 PolarHBondContact O-N 2.93Å; R478-S482 PolarHBondContact O-N 3.48Å |
| 479 | I | 79.6 | Confident | 80.7 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66 | -50.1 | 177.5 | -67.3 | 163.3 | 0 | 0 | 0 | 109.8 | T475 I476 S481 S482 L483 | T475-I479 HydrophobicContact CG2-CD1 4.28Å; T475-I479 WeakPolarHBondContact O-CG1 3.17Å; T475-I479 PolarHBondContact O-N 3.35Å; T475-I479 VanDerWaalsContact O-N 3.1Å; I476-I479 PolarHBondContact O-N 3.34Å; I476-I479 VanDerWaalsContact O-N 3.1Å; I479-S481 VanDerWaalsContact C-N 3.3Å; I479-S481 PolarHBondContact O-N 3.35Å; I479-S482 PolarHBondContact O-N 3.17Å; I479-S482 PolarHBondContact O-OG 2.82Å; I479-L483 PolarHBondContact O-N 2.73Å |
| 480 | Y | 73.3 | Confident | 80.2 | Confident | 86 Ų | 86 | 86 Ų | 86 | 34% | 0.337 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.1 | -26.8 | 178 | -81 | -89.6 | 0 | 0 | 0 | 113.6 | M455 I476 S482 | M455-Y480 HydrophobicContact CB-CD1 4.39Å; M455-Y480 HydrophobicContact CB-CG 4.33Å; M455-Y480 HydrophobicContact CE-CD2 4.03Å; M455-Y480 HydrophobicContact CE-CE1 4.2Å; M455-Y480 HydrophobicContact CE-CE2 3.63Å; M455-Y480 HydrophobicContact CE-CG 4.47Å; M455-Y480 HydrophobicContact CG-CD1 3.81Å; M455-Y480 HydrophobicContact CG-CE1 3.91Å; M455-Y480 HydrophobicContact CG-CG 4.2Å; M455-Y480 HydrophobicContact SD-CE1 4.29Å; I476-Y480 HydrophobicContact CG2-CD2 3.94Å; I476-Y480 HydrophobicContact CG2-CE2 4.12Å; I476-Y480 WeakPolarHBondContact O-CD2 3.03Å; I476-Y480 PolarHBondContact O-N 2.81Å; Y480-S482 PolarHBondContact O-N 2.88Å |
| 481 | S | 72.6 | Confident | 79.7 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -4.8 | 169.9 | -67.8 | 0 | 0 | 0 | 0 | 114.5 | K452 K477 I479 | K452-S481 WeakPolarHBondContact CE-OG 3.24Å; K452-S481 PolarHBondContact NZ-OG 3.09Å; K477-S481 WeakPolarHBondContact O-CB 3.42Å; K477-S481 PolarHBondContact O-N 2.68Å; K477-S481 PolarHBondContact O-OG 3.26Å; I479-S481 VanDerWaalsContact C-N 3.3Å; I479-S481 PolarHBondContact O-N 3.35Å |
| 482 | S | 71.1 | Confident | 79.1 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 65% | 0.65 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -5.6 | 178.2 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | R478 I479 Y480 | R478-S482 PolarHBondContact O-N 3.48Å; I479-S482 PolarHBondContact O-N 3.17Å; I479-S482 PolarHBondContact O-OG 2.82Å; Y480-S482 PolarHBondContact O-N 2.88Å |
| 483 | L | 60.6 | Low | 78.7 | Confident | 142 Ų | 142 | 76.4 Ų | 76.4 | 74% | 0.743 | 39% | 0.394 | S | S | * | . | trans | -74.8 | 0 | 159.6 | -96.7 | 74 | 0 | 0 | 0 | 110.2 | I479 | I479-L483 PolarHBondContact O-N 2.73Š|
Retrieved 483 of 483 residues in 241.8 ms
(Link to these results)