| 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 | 45.4 | Very low | 58.9 | Low | 246 Ų | 246 | 125.5 Ų | 125.5 | 100% | 1.212 | 72% | 0.723 | S | S | * | * | 0 | 130.2 | 0 | -60.9 | -153.8 | -77.8 | 0 | 0 | 108 | |||||
| 2 | A | 52.4 | Low | 59.9 | Low | 89 Ų | 89 | 119.4 Ų | 119.4 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | cis | -169.2 | 89.3 | -14.7 | 0 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 3 | L | 49.6 | Very low | 60.9 | Low | 159 Ų | 159 | 119.2 Ų | 119.2 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -146.2 | 6.4 | 176 | -102.3 | 148.9 | 0 | 0 | 0 | 113.5 | ||
| 4 | L | 53.9 | Low | 61.9 | Low | 175 Ų | 175 | 116.8 Ų | 116.8 | 92% | 0.916 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -102.6 | 11.8 | 179.4 | -91 | 155.1 | 0 | 0 | 0 | 114.2 | ||
| 5 | S | 59.8 | Low | 62.8 | Low | 98 Ų | 98 | 116.5 Ų | 116.5 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -117.8 | 13.4 | -176.8 | 84.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 6 | V | 57.9 | Low | 63.5 | Low | 106 Ų | 106 | 115 Ų | 115 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -115.7 | -15.1 | 177.1 | -168.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 7 | L | 57.6 | Low | 64.2 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84.9 | -14.4 | -179.5 | -103.2 | 107.9 | 0 | 0 | 0 | 115 | L11 | L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 3.42Å |
| 8 | T | 64.6 | Low | 64.8 | Low | 101 Ų | 101 | 114.3 Ų | 114.3 | 62% | 0.62 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.8 | -39.8 | -177.2 | 20.8 | 0 | 0 | 0 | 0 | 115.8 | A12 | T8-A12 PolarHBondContact O-N 3.02Å |
| 9 | P | 65.3 | Low | 65.1 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -75.9 | -29.4 | 176.9 | 26.8 | -31.3 | 0 | 0 | 0 | 113 | L13 | P9-L13 PolarHBondContact O-N 3.11Å; P9-L13 VanDerWaalsContact O-N 3.1Å |
| 10 | V | 70.8 | Confident | 65.4 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.9 | -40.4 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | A12 L13 V14 | V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3Å; V10-L13 PolarHBondContact O-N 2.94Å; V10-V14 WeakPolarHBondContact O-CG2 3.39Å; V10-V14 PolarHBondContact O-N 3.26Å |
| 11 | L | 70.1 | Confident | 65.6 | Low | 108 Ų | 108 | 109 Ų | 109 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.2 | -37 | 176.9 | -145.9 | 98.6 | 0 | 0 | 0 | 112.1 | L7 V14 L15 | L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 3.42Å; L11-V14 PolarHBondContact O-N 3.33Å; L11-L15 HydrophobicContact CD2-CD1 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.28Å |
| 12 | A | 70.8 | Confident | 66.4 | Low | 52 Ų | 52 | 102.8 Ų | 102.8 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.8 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T8 V10 L15 C16 | T8-A12 PolarHBondContact O-N 3.02Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3Å; A12-L15 PolarHBondContact O-N 3.26Å; A12-C16 WeakPolarHBondContact O-CB 3.38Å; A12-C16 PolarHBondContact O-N 2.82Å; A12-C16 PolarHBondContact O-SG 3.36Å; A12-C16 VanDerWaalsContact O-SG 3.36Å |
| 13 | L | 73.9 | Confident | 66.6 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 61% | 0.613 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -41.1 | 175 | -113 | 158.6 | 0 | 0 | 0 | 112.2 | P9 V10 C16 M17 | P9-L13 PolarHBondContact O-N 3.11Å; P9-L13 VanDerWaalsContact O-N 3.1Å; V10-L13 PolarHBondContact O-N 2.94Å; L13-C16 PolarHBondContact O-N 3.46Å; L13-M17 WeakPolarHBondContact O-CB 3.39Å; L13-M17 WeakPolarHBondContact O-CG 3.39Å; L13-M17 PolarHBondContact O-N 2.93Å |
| 14 | V | 75.1 | Confident | 67 | Low | 85 Ų | 85 | 105.5 Ų | 105.5 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -42.3 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | V10 L11 M17 V18 | V10-V14 WeakPolarHBondContact O-CG2 3.39Å; V10-V14 PolarHBondContact O-N 3.26Å; L11-V14 PolarHBondContact O-N 3.33Å; V14-M17 PolarHBondContact O-N 3.35Å; V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 VanDerWaalsContact O-CG2 3.29Å; V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.02Å |
| 15 | L | 74.1 | Confident | 66.7 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.4 | -40.5 | 176 | -85.2 | 160.8 | 0 | 0 | 0 | 112.8 | L11 A12 V18 A19 | L11-L15 HydrophobicContact CD2-CD1 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.28Å; A12-L15 PolarHBondContact O-N 3.26Å; L15-V18 PolarHBondContact O-N 3.22Å; L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 3.04Å |
| 16 | C | 74.1 | Confident | 66.1 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 62% | 0.622 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.8 | -37.5 | 174.8 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | A12 L13 G20 | A12-C16 WeakPolarHBondContact O-CB 3.38Å; A12-C16 PolarHBondContact O-N 2.82Å; A12-C16 PolarHBondContact O-SG 3.36Å; A12-C16 VanDerWaalsContact O-SG 3.36Å; L13-C16 PolarHBondContact O-N 3.46Å; C16-G20 PolarHBondContact O-N 2.99Å |
| 17 | M | 76.1 | Confident | 65.5 | Low | 138 Ų | 138 | 110 Ų | 110 | 68% | 0.68 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.2 | -40.7 | 175.7 | -72 | -110.4 | -78.2 | 0 | 0 | 112.1 | L13 V14 G20 F21 | L13-M17 WeakPolarHBondContact O-CB 3.39Å; L13-M17 WeakPolarHBondContact O-CG 3.39Å; L13-M17 PolarHBondContact O-N 2.93Å; V14-M17 PolarHBondContact O-N 3.35Å; M17-G20 PolarHBondContact O-N 3.3Å; M17-F21 WeakPolarHBondContact O-CB 3.41Å; M17-F21 PolarHBondContact O-N 3.43Å |
| 18 | V | 75.3 | Confident | 64.7 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.6 | -42 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V14 L15 F21 L22 | V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 VanDerWaalsContact O-CG2 3.29Å; V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.02Å; L15-V18 PolarHBondContact O-N 3.22Å; V18-F21 PolarHBondContact O-N 2.94Å; V18-L22 HydrophobicContact CG1-CD1 4.15Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.97Å |
| 19 | A | 70.9 | Confident | 63.3 | Low | 55 Ų | 55 | 108.2 Ų | 108.2 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L15 L22 F23 | L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 3.04Å; A19-L22 PolarHBondContact O-N 3.42Å; A19-F23 PolarHBondContact O-N 3.17Å; A19-F23 VanDerWaalsContact O-N 3.08Å |
| 20 | G | 70.4 | Confident | 61.8 | Low | 32 Ų | 32 | 114.1 Ų | 114.1 | 33% | 0.33 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.4 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | C16 M17 L22 F23 L24 | C16-G20 PolarHBondContact O-N 2.99Å; M17-G20 PolarHBondContact O-N 3.3Å; G20-L22 PolarHBondContact O-N 3.34Å; G20-F23 PolarHBondContact O-N 3.43Å; G20-L24 WeakPolarHBondContact O-CD1 3.32Å; G20-L24 PolarHBondContact O-N 3.49Å |
| 21 | F | 68.7 | Low | 60 | Low | 143 Ų | 143 | 115.7 Ų | 115.7 | 63% | 0.627 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.8 | -37.2 | 177.7 | -168.2 | -97.5 | 0 | 0 | 0 | 112.4 | M17 V18 K25 | M17-F21 WeakPolarHBondContact O-CB 3.41Å; M17-F21 PolarHBondContact O-N 3.43Å; V18-F21 PolarHBondContact O-N 2.94Å; F21-K25 WeakPolarHBondContact O-CB 3.29Å; F21-K25 PolarHBondContact O-N 3.06Å; F21-K25 VanDerWaalsContact O-N 3.11Å |
| 22 | L | 64.1 | Low | 58.1 | Low | 117 Ų | 117 | 116 Ų | 116 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.5 | -32.7 | 174.8 | -70.1 | 171.5 | 0 | 0 | 0 | 112.7 | V18 A19 G20 | V18-L22 HydrophobicContact CG1-CD1 4.15Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.97Å; A19-L22 PolarHBondContact O-N 3.42Å; G20-L22 PolarHBondContact O-N 3.34Å |
| 23 | F | 56.5 | Low | 56.6 | Low | 166 Ų | 166 | 119.5 Ų | 119.5 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.8 | -28.9 | 175.4 | -106.6 | -87.2 | 0 | 0 | 0 | 114.2 | A19 G20 S26 | A19-F23 PolarHBondContact O-N 3.17Å; A19-F23 VanDerWaalsContact O-N 3.08Å; G20-F23 PolarHBondContact O-N 3.43Å; F23-S26 PolarHBondContact O-OG 3.29Å; F23-S26 VanDerWaalsContact O-OG 3.05Å |
| 24 | L | 56.5 | Low | 54.5 | Low | 138 Ų | 138 | 117.5 Ų | 117.5 | 72% | 0.723 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.4 | -32.2 | 173.1 | -93.7 | 84.6 | 0 | 0 | 0 | 112.2 | G20 S26 R27 | G20-L24 WeakPolarHBondContact O-CD1 3.32Å; G20-L24 PolarHBondContact O-N 3.49Å; L24-S26 PolarHBondContact O-N 2.93Å; L24-R27 PolarHBondContact O-N 2.91Å |
| 25 | K | 49.1 | Very low | 52.4 | Low | 162 Ų | 162 | 120.6 Ų | 120.6 | 70% | 0.704 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.6 | -18 | 178.4 | -162.6 | 174.4 | 178.9 | -178 | 0 | 113.3 | F21 | F21-K25 WeakPolarHBondContact O-CB 3.29Å; F21-K25 PolarHBondContact O-N 3.06Å; F21-K25 VanDerWaalsContact O-N 3.11Å |
| 26 | S | 46.4 | Very low | 50.8 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 0.9 | 176.4 | 67.6 | 0 | 0 | 0 | 0 | 114.5 | F23 L24 | F23-S26 PolarHBondContact O-OG 3.29Å; F23-S26 VanDerWaalsContact O-OG 3.05Å; L24-S26 PolarHBondContact O-N 2.93Å |
| 27 | R | 45.5 | Very low | 48.7 | Very low | 226 Ų | 226 | 119.1 Ų | 119.1 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 38.4 | -179.1 | -86.8 | -172.5 | 171.1 | 178.8 | -1.5 | 114.1 | L24 | L24-R27 PolarHBondContact O-N 2.91Š|
| 28 | A | 40.7 | Very low | 46.7 | Very low | 78 Ų | 78 | 122 Ų | 122 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 125.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 29 | P | 35.6 | Very low | 44.5 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -79 | 119.6 | 175.4 | 30.3 | -29.1 | 0 | 0 | 0 | 109.7 | T31 | P29-T31 PolarHBondContact O-N 3.47Š|
| 30 | E | 33 | Very low | 42.9 | Very low | 202 Ų | 202 | 131.9 Ų | 131.9 | 94% | 0.944 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 120.4 | 172.6 | -72.9 | -169.3 | 163.4 | 0 | 0 | 110.1 | ||
| 31 | T | 33.6 | Very low | 41 | Very low | 124 Ų | 124 | 133 Ų | 133 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -120.6 | 143.9 | 165.6 | 41.1 | 0 | 0 | 0 | 0 | 109 | P29 | P29-T31 PolarHBondContact O-N 3.47Š| ||
| 32 | S | 30.6 | Very low | 39.5 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 105.4 | 156.5 | 165.3 | -46.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 33 | P | 38.9 | Very low | 38.3 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | cis | -126.1 | 172.2 | -33.2 | 30.3 | -10.8 | 0 | 0 | 0 | 112.3 | ||||
| 34 | G | 29.9 | Very low | 37.4 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 146.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 35 | V | 31.1 | Very low | 36.9 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -140.1 | 134 | 153.3 | 177 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 36 | A | 39.7 | Very low | 37.2 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | -59.4 | 129.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 37 | G | 30.9 | Very low | 37.9 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -138.5 | 121.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T39 | G37-T39 PolarHBondContact O-N 3.16Š| ||
| 38 | Q | 32.6 | Very low | 38.6 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -52.3 | 123.3 | -176.5 | -67.9 | 168.7 | 0.6 | 0 | 0 | 112.4 | K40 | Q38-K40 PolarHBondContact O-N 3.15Š| ||
| 39 | T | 29.6 | Very low | 39.5 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | -74.6 | 99.2 | 170.1 | 37.4 | 0 | 0 | 0 | 0 | 110.2 | G37 G41 | G37-T39 PolarHBondContact O-N 3.16Å; T39-G41 PolarHBondContact O-N 3.39Å | ||
| 40 | K | 36.8 | Very low | 40.8 | Very low | 202 Ų | 202 | 129.4 Ų | 129.4 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | -78.5 | 109 | 150.9 | -82.8 | -175.3 | 176.4 | 179.4 | 0 | 107 | Q38 | Q38-K40 PolarHBondContact O-N 3.15Š| ||
| 41 | G | 31.8 | Very low | 42 | Very low | 56 Ų | 56 | 120.4 Ų | 120.4 | 58% | 0.577 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 162.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T39 T43 | T39-G41 PolarHBondContact O-N 3.39Å; G41-T43 PolarHBondContact O-N 3.35Å |
| 42 | P | 36.8 | Very low | 43.3 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 124.8 | 177 | 29.1 | -31.1 | 0 | 0 | 0 | 108.1 | K44 | P42-K44 PolarHBondContact O-N 3.38Å; P42-K44 VanDerWaalsContact O-N 3.08Å |
| 43 | T | 38.2 | Very low | 44.6 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 82% | 0.816 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 116.6 | 164.5 | 39.2 | 0 | 0 | 0 | 0 | 107.5 | G41 K45 | G41-T43 PolarHBondContact O-N 3.35Å; T43-K45 PolarHBondContact O-N 2.66Å |
| 44 | K | 38.1 | Very low | 45.5 | Very low | 201 Ų | 201 | 115.2 Ų | 115.2 | 87% | 0.874 | 65% | 0.648 | S | S | * | * | trans | -48.6 | 108.9 | 169.6 | -87.9 | 179.2 | 171.3 | 179.2 | 0 | 107.7 | P42 E46 | P42-K44 PolarHBondContact O-N 3.38Å; P42-K44 VanDerWaalsContact O-N 3.08Å; K44-E46 PolarHBondContact O-N 3.41Å | ||
| 45 | K | 46.6 | Very low | 46.6 | Very low | 193 Ų | 193 | 117.4 Ų | 117.4 | 84% | 0.839 | 64% | 0.641 | S | S | * | * | trans | -63.4 | 107.3 | 159.9 | -101.5 | -177 | 172.6 | -177 | 0 | 105.3 | T43 F47 | T43-K45 PolarHBondContact O-N 2.66Å; K45-F47 PolarHBondContact O-N 3.35Å | ||
| 46 | E | 54.4 | Low | 47.7 | Very low | 142 Ų | 142 | 116.4 Ų | 116.4 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | trans | -55.8 | 124.6 | 167.4 | -81.8 | -178.1 | 157.4 | 0 | 0 | 108.1 | K44 R48 | K44-E46 PolarHBondContact O-N 3.41Å; E46-R48 PolarHBondContact O-N 3.19Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.94Å; E46-R48 IonicContact OE2-NH2 3.59Å; E46-R48 PolarHBondContact OE2-NH2 3.2Å; E46-R48 VanDerWaalsContact OE2-NH2 3.13Å | ||
| 47 | F | 61.5 | Low | 48.2 | Very low | 181 Ų | 181 | 116.1 Ų | 116.1 | 79% | 0.794 | 61% | 0.61 | S | S | * | * | trans | -71.2 | 109.3 | 178.3 | -178.6 | -108.6 | 0 | 0 | 0 | 108.5 | K45 P49 | K45-F47 PolarHBondContact O-N 3.35Å; F47-P49 VanDerWaalsContact C-CD 3.49Å; F47-P49 HydrophobicContact CD1-CB 4.47Å; F47-P49 HydrophobicContact CD1-CG 4.19Å; F47-P49 HydrophobicContact CE1-CB 3.82Å; F47-P49 HydrophobicContact CE1-CG 3.9Å; F47-P49 HydrophobicContact CZ-CB 4.1Å; F47-P49 WeakPolarHBondContact O-CD 3.4Å | ||
| 48 | R | 60.9 | Low | 49.3 | Very low | 43 Ų | 43 | 117.1 Ų | 117.1 | 16% | 0.162 | 60% | 0.6 | C | S | . | * | trans | -111.7 | 78.9 | -178.7 | -64.9 | -169.2 | 178.5 | -129.3 | -9.1 | 110.4 | E46 W50 A51 E162 E163 | E46-R48 PolarHBondContact O-N 3.19Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.94Å; E46-R48 IonicContact OE2-NH2 3.59Å; E46-R48 PolarHBondContact OE2-NH2 3.2Å; E46-R48 VanDerWaalsContact OE2-NH2 3.13Å; R48-W50 HydrophobicContact CB-CD2 4.16Å; R48-W50 HydrophobicContact CB-CE3 4.31Å; R48-W50 HydrophobicContact CB-CH2 3.81Å; R48-W50 HydrophobicContact CB-CZ2 3.63Å; R48-W50 HydrophobicContact CB-CZ3 4.14Å; R48-W50 HydrophobicContact CG-CH2 3.6Å; R48-W50 HydrophobicContact CG-CZ2 3.48Å; R48-W50 VanDerWaalsContact CG-CZ2 3.48Å; R48-W50 HydrophobicContact CG-CZ3 4.35Å; R48-W50 PolarHBondContact O-N 3.3Å; R48-A51 PolarHBondContact O-N 3.09Å; R48-E162 IonicContact CZ-OE1 3.13Å; R48-E162 VanDerWaalsContact CZ-OE1 3.29Å; R48-E162 IonicContact NH1-OE1 2.98Å; R48-E162 PolarHBondContact NH1-OE1 2.98Å; R48-E162 IonicContact NH2-OE1 2.79Å; R48-E162 PolarHBondContact NH2-OE1 3.17Å; R48-E163 IonicContact CZ-OE1 3.39Å; R48-E163 IonicContact NH1-OE1 2.8Å; R48-E163 PolarHBondContact NH1-OE1 2.97Å | ||
| 49 | P | 59 | Low | 50.2 | Low | 75 Ų | 75 | 110.2 Ų | 110.2 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -12.1 | -170.8 | 22.1 | -32.7 | 0 | 0 | 0 | 115.1 | F47 | F47-P49 VanDerWaalsContact C-CD 3.49Å; F47-P49 HydrophobicContact CD1-CB 4.47Å; F47-P49 HydrophobicContact CD1-CG 4.19Å; F47-P49 HydrophobicContact CE1-CB 3.82Å; F47-P49 HydrophobicContact CE1-CG 3.9Å; F47-P49 HydrophobicContact CZ-CB 4.1Å; F47-P49 WeakPolarHBondContact O-CD 3.4Å |
| 50 | W | 62.7 | Low | 51.2 | Low | 60 Ų | 60 | 111.2 Ų | 111.2 | 23% | 0.227 | 57% | 0.566 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -22.1 | 179.8 | 58.5 | 90.2 | 0 | 0 | 0 | 114.3 | R48 D52 Q53 E163 N249 P252 Q253 | R48-W50 HydrophobicContact CB-CD2 4.16Å; R48-W50 HydrophobicContact CB-CE3 4.31Å; R48-W50 HydrophobicContact CB-CH2 3.81Å; R48-W50 HydrophobicContact CB-CZ2 3.63Å; R48-W50 HydrophobicContact CB-CZ3 4.14Å; R48-W50 HydrophobicContact CG-CH2 3.6Å; R48-W50 HydrophobicContact CG-CZ2 3.48Å; R48-W50 VanDerWaalsContact CG-CZ2 3.48Å; R48-W50 HydrophobicContact CG-CZ3 4.35Å; R48-W50 PolarHBondContact O-N 3.3Å; W50-D52 VanDerWaalsContact C-N 3.26Å; W50-D52 PolarHBondContact O-N 3.42Å; W50-Q53 WeakPolarHBondContact O-CB 3.28Å; W50-Q53 PolarHBondContact O-N 3.33Å; W50-Q53 VanDerWaalsContact O-N 3.16Å; W50-E163 WeakPolarHBondContact CZ2-OE1 3.45Å; W50-E163 PolarHBondContact NE1-OE1 3.17Å; W50-N249 VanDerWaalsContact CD1-O 3.27Å; W50-P252 HydrophobicContact CB-CB 3.98Å; W50-P252 HydrophobicContact CB-CG 3.97Å; W50-Q253 VanDerWaalsContact CE2-NE2 3.3Å |
| 51 | A | 58.3 | Low | 52 | Low | 12 Ų | 12 | 106.5 Ų | 106.5 | 10% | 0.099 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -28 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R48 Q53 N249 | R48-A51 PolarHBondContact O-N 3.09Å; A51-Q53 VanDerWaalsContact C-N 3.29Å; A51-Q53 PolarHBondContact O-N 3.42Å; A51-N249 HydrophobicContact CB-CB 4.32Å; A51-N249 PolarHBondContact O-OD1 2.89Å |
| 52 | D | 60 | Low | 52.8 | Low | 109 Ų | 109 | 108 Ų | 108 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.8 | 178.4 | -61 | -34.4 | 0 | 0 | 0 | 112.6 | W50 Q56 | W50-D52 VanDerWaalsContact C-N 3.26Å; W50-D52 PolarHBondContact O-N 3.42Å; D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-NE2 2.96Å; D52-Q56 VanDerWaalsContact O-NE2 3.13Å |
| 53 | Q | 58.4 | Low | 53.4 | Low | 92 Ų | 92 | 113 Ų | 113 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -32.8 | -175 | -169.1 | 170.8 | 35.2 | 0 | 0 | 113.1 | W50 A51 L55 P252 | W50-Q53 WeakPolarHBondContact O-CB 3.28Å; W50-Q53 PolarHBondContact O-N 3.33Å; W50-Q53 VanDerWaalsContact O-N 3.16Å; A51-Q53 VanDerWaalsContact C-N 3.29Å; A51-Q53 PolarHBondContact O-N 3.42Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-P252 HydrophobicContact CB-CG 4.27Å |
| 54 | D | 57.5 | Low | 53.7 | Low | 53 Ų | 53 | 109.7 Ų | 109.7 | 28% | 0.283 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.6 | -179.9 | -80.2 | -11.4 | 0 | 0 | 0 | 112.6 | N249 C250 G251 P252 | D54-N249 VanDerWaalsContact OD2-C 3.28Å; D54-N249 WeakPolarHBondContact OD2-CA 3.18Å; D54-N249 PolarHBondContact OD2-N 2.98Å; D54-N249 VanDerWaalsContact OD2-N 3.12Å; D54-C250 PolarHBondContact OD2-N 3.01Å; D54-G251 PolarHBondContact OD2-N 3.16Å; D54-G251 VanDerWaalsContact OD2-N 3.09Å; D54-P252 WeakPolarHBondContact OD1-CD 3.22Å |
| 55 | L | 54.4 | Low | 54.3 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 64% | 0.644 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -10.3 | 178.9 | -64.4 | 176.3 | 0 | 0 | 0 | 113.5 | Q53 D57 L248 | Q53-L55 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.18Å; L55-L248 HydrophobicContact CD2-CD1 4.31Å |
| 56 | Q | 53.8 | Low | 54.5 | Low | 128 Ų | 128 | 100.2 Ų | 100.2 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | trans | -84.8 | 101.2 | 176.6 | -72.1 | 172 | 32.4 | 0 | 0 | 109.1 | D52 D58 | D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-NE2 2.96Å; D52-Q56 VanDerWaalsContact O-NE2 3.13Å; Q56-D58 PolarHBondContact O-N 3.19Å | ||
| 57 | D | 48.9 | Very low | 54.1 | Low | 101 Ų | 101 | 101.1 Ų | 101.1 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | trans | -74.2 | 98.8 | 167.4 | -169.2 | 1.5 | 0 | 0 | 0 | 108.9 | L55 T59 | L55-D57 PolarHBondContact O-N 3.18Å; D57-T59 VanDerWaalsContact C-N 3.26Å; D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 WeakPolarHBondContact OD1-CB 3.46Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.34Å; D57-T59 PolarHBondContact OD1-N 3.36Å; D57-T59 VanDerWaalsContact OD1-N 3.1Å; D57-T59 PolarHBondContact OD1-OG1 3.4Å; D57-T59 PolarHBondContact OD2-OG1 3.48Å | ||
| 58 | D | 54.7 | Low | 53.5 | Low | 88 Ų | 88 | 99.6 Ų | 99.6 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | trans | -91.3 | 18.9 | 176 | 58.9 | -15.2 | 0 | 0 | 0 | 112.1 | Q56 E60 K265 | Q56-D58 PolarHBondContact O-N 3.19Å; D58-E60 VanDerWaalsContact C-N 3.35Å; D58-K265 IonicContact OD1-NZ 3.1Å; D58-K265 PolarHBondContact OD1-NZ 3.06Å; D58-K265 WeakPolarHBondContact OD2-CE 3.44Å; D58-K265 IonicContact OD2-NZ 3.85Å; D58-K265 PolarHBondContact OD2-NZ 3.47Å | ||
| 59 | T | 50.8 | Low | 53.1 | Low | 53 Ų | 53 | 102.1 Ų | 102.1 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | trans | -83.7 | -7.9 | -179.5 | 67.1 | 0 | 0 | 0 | 0 | 114 | D57 I61 | D57-T59 VanDerWaalsContact C-N 3.26Å; D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 WeakPolarHBondContact OD1-CB 3.46Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.34Å; D57-T59 PolarHBondContact OD1-N 3.36Å; D57-T59 VanDerWaalsContact OD1-N 3.1Å; D57-T59 PolarHBondContact OD1-OG1 3.4Å; D57-T59 PolarHBondContact OD2-OG1 3.48Å; T59-I61 PolarHBondContact O-N 3.29Å | ||
| 60 | E | 51.8 | Low | 52.8 | Low | 162 Ų | 162 | 100.4 Ų | 100.4 | 76% | 0.757 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -75.2 | 117.3 | 172.8 | -70.4 | -166.7 | 166.7 | 0 | 0 | 110.8 | D58 T62 | D58-E60 VanDerWaalsContact C-N 3.35Å; E60-T62 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact O-N 3.14Å |
| 61 | I | 54.2 | Low | 52.3 | Low | 103 Ų | 103 | 104.9 Ų | 104.9 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | trans | -70.2 | 108.2 | 174.3 | -57.9 | 171.9 | 0 | 0 | 0 | 108.1 | T59 W69 Y218 | T59-I61 PolarHBondContact O-N 3.29Å; I61-W69 HydrophobicContact CG2-CZ2 4.49Å; I61-Y218 HydrophobicContact CD1-CD1 4.07Å; I61-Y218 HydrophobicContact CD1-CE1 4.22Å | ||
| 62 | T | 48.4 | Very low | 52.1 | Low | 87 Ų | 87 | 106.6 Ų | 106.6 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | trans | -78.9 | 129.7 | 170.9 | 29 | 0 | 0 | 0 | 0 | 110.5 | E60 G64 D65 | E60-T62 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact O-N 3.14Å; T62-G64 PolarHBondContact O-N 3.37Å; T62-D65 PolarHBondContact O-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 3.45Å; T62-D65 VanDerWaalsContact OG1-OD2 3.05Å | ||
| 63 | R | 48.1 | Very low | 51.8 | Low | 235 Ų | 235 | 105.9 Ų | 105.9 | 89% | 0.887 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 1.9 | 177.6 | -79.4 | -178 | 172.3 | 169.5 | -2.5 | 116.1 | ||
| 64 | G | 45.4 | Very low | 51.6 | Low | 62 Ų | 62 | 109.2 Ų | 109.2 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -5.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T62 D66 | T62-G64 PolarHBondContact O-N 3.37Å; G64-D66 VanDerWaalsContact C-N 3.26Å |
| 65 | D | 51 | Low | 51.7 | Low | 94 Ų | 94 | 111 Ų | 111 | 50% | 0.503 | 56% | 0.561 | S | S | . | * | trans | -85.7 | 1 | 177.6 | -68.2 | -45 | 0 | 0 | 0 | 112.6 | T62 D67 E68 W69 | T62-D65 PolarHBondContact O-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 3.45Å; T62-D65 VanDerWaalsContact OG1-OD2 3.05Å; D65-D67 PolarHBondContact O-N 2.95Å; D65-D67 VanDerWaalsContact O-N 3.07Å; D65-E68 PolarHBondContact O-N 3.46Å; D65-W69 VanDerWaalsContact C-NE1 3.28Å; D65-W69 PolarHBondContact O-NE1 3.29Å | ||
| 66 | D | 49.5 | Very low | 52 | Low | 101 Ų | 101 | 111.2 Ų | 111.2 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -60.9 | -15.1 | -173.6 | -69.1 | -10.3 | 0 | 0 | 0 | 114.6 | G64 W69 | G64-D66 VanDerWaalsContact C-N 3.26Å; D66-W69 VanDerWaalsContact C-CD1 3.5Å |
| 67 | D | 46.8 | Very low | 52.9 | Low | 161 Ų | 161 | 113 Ų | 113 | 86% | 0.861 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -85.2 | -7.4 | -175.9 | -68.7 | -28.9 | 0 | 0 | 0 | 114.8 | D65 | D65-D67 PolarHBondContact O-N 2.95Å; D65-D67 VanDerWaalsContact O-N 3.07Å |
| 68 | E | 49.4 | Very low | 54.7 | Low | 150 Ų | 150 | 113.8 Ų | 113.8 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -118.1 | 13.7 | -178.7 | -77.9 | -167.3 | 173.2 | 0 | 0 | 115 | D65 | D65-E68 PolarHBondContact O-N 3.46Š|
| 69 | W | 52.8 | Low | 56.5 | Low | 96 Ų | 96 | 113.9 Ų | 113.9 | 36% | 0.364 | 59% | 0.589 | S | S | . | * | trans | -78.1 | 134.8 | -179.1 | -61.5 | 74.4 | 0 | 0 | 0 | 111.3 | I61 D65 D66 T216 Y218 | I61-W69 HydrophobicContact CG2-CZ2 4.49Å; D65-W69 VanDerWaalsContact C-NE1 3.28Å; D65-W69 PolarHBondContact O-NE1 3.29Å; D66-W69 VanDerWaalsContact C-CD1 3.5Å; W69-T216 HydrophobicContact CH2-CG2 3.49Å; W69-T216 VanDerWaalsContact CH2-CG2 3.49Å; W69-T216 WeakPolarHBondContact CH2-OG1 3.35Å; W69-T216 HydrophobicContact CZ3-CG2 3.57Å; W69-T216 WeakPolarHBondContact CZ3-OG1 3.47Å; W69-Y218 HydrophobicContact CH2-CE1 4.47Å; W69-Y218 HydrophobicContact CZ3-CE1 4.26Å; W69-Y218 WeakPolarHBondContact CZ3-OH 3.31Å | ||
| 70 | V | 52.4 | Low | 58.5 | Low | 38 Ų | 38 | 120.4 Ų | 120.4 | 23% | 0.23 | 62% | 0.615 | C | S | . | * | trans | -114 | 114.2 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 107 | N72 L209 K213 | V70-N72 PolarHBondContact O-N 2.83Å; V70-L209 HydrophobicContact CB-CD1 3.99Å; V70-L209 HydrophobicContact CG1-CD1 3.79Å; V70-K213 HydrophobicContact CB-CD 4.5Å; V70-K213 HydrophobicContact CG2-CB 3.78Å; V70-K213 HydrophobicContact CG2-CD 3.33Å; V70-K213 HydrophobicContact CG2-CG 4.06Å; V70-K213 VanDerWaalsContact CG2-NZ 3.31Å | ||
| 71 | E | 51.6 | Low | 60.6 | Low | 155 Ų | 155 | 118.5 Ų | 118.5 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | trans | -57.1 | 120.7 | 164.7 | -67.8 | 176.9 | 162.8 | 0 | 0 | 107.5 | N73 | E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 WeakPolarHBondContact CB-OD1 3.49Å; E71-N73 PolarHBondContact O-N 2.95Å; E71-N73 VanDerWaalsContact O-N 3.15Å; E71-N73 PolarHBondContact O-OD1 3.48Å | ||
| 72 | N | 54.3 | Low | 62.7 | Low | 47 Ų | 47 | 119.8 Ų | 119.8 | 25% | 0.251 | 63% | 0.63 | S | S | . | * | trans | -83.4 | 83.1 | 172.8 | -169.5 | 30.7 | 0 | 0 | 0 | 107.6 | V70 E74 E75 | V70-N72 PolarHBondContact O-N 2.83Å; N72-E74 PolarHBondContact O-N 3.31Å; N72-E75 PolarHBondContact ND2-OE1 3.23Å; N72-E75 PolarHBondContact O-N 3.29Å | ||
| 73 | N | 53.4 | Low | 65 | Low | 95 Ų | 95 | 125.2 Ų | 125.2 | 51% | 0.508 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -64.5 | -6.4 | -175.4 | -60.2 | 26.7 | 0 | 0 | 0 | 113.4 | E71 E75 E76 | E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 WeakPolarHBondContact CB-OD1 3.49Å; E71-N73 PolarHBondContact O-N 2.95Å; E71-N73 VanDerWaalsContact O-N 3.15Å; E71-N73 PolarHBondContact O-OD1 3.48Å; N73-E75 PolarHBondContact O-N 3.48Å; N73-E76 PolarHBondContact ND2-OE1 2.87Å; N73-E76 PolarHBondContact OD1-OE1 3Å |
| 74 | E | 55.2 | Low | 67.3 | Low | 161 Ų | 161 | 119.5 Ų | 119.5 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -68.8 | -16 | 176.2 | -65.3 | -174.7 | 172.7 | 0 | 0 | 113.2 | N72 | N72-E74 PolarHBondContact O-N 3.31Š|
| 75 | E | 59.2 | Low | 69.7 | Low | 90 Ų | 90 | 120 Ų | 120 | 42% | 0.421 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -116.1 | 15.5 | -177.6 | -69.3 | 174.1 | -145 | 0 | 0 | 113.9 | N72 N73 D77 L78 K215 | N72-E75 PolarHBondContact ND2-OE1 3.23Å; N72-E75 PolarHBondContact O-N 3.29Å; N73-E75 PolarHBondContact O-N 3.48Å; E75-D77 VanDerWaalsContact C-N 3.27Å; E75-D77 PolarHBondContact O-N 2.88Å; E75-L78 HydrophobicContact CB-CD1 4.26Å; E75-L78 HydrophobicContact CB-CG 4.36Å; E75-L78 HydrophobicContact CG-CD1 4.46Å; E75-K215 IonicContact OE1-NZ 2.72Å |
| 76 | E | 61.2 | Low | 71.9 | Confident | 128 Ų | 128 | 122.5 Ų | 122.5 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -21.3 | -175.2 | -82.4 | 175.7 | -172.4 | 0 | 0 | 114.4 | N73 | N73-E76 PolarHBondContact ND2-OE1 2.87Å; N73-E76 PolarHBondContact OD1-OE1 3Å |
| 77 | D | 72 | Confident | 74.2 | Confident | 167 Ų | 167 | 129.1 Ų | 129.1 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 55.3 | -177.1 | -97.4 | -26.4 | 0 | 0 | 0 | 112.2 | E75 A79 | E75-D77 VanDerWaalsContact C-N 3.27Å; E75-D77 PolarHBondContact O-N 2.88Å; D77-A79 PolarHBondContact O-N 2.78Å |
| 78 | L | 85.7 | Confident | 76.7 | Confident | 116 Ų | 116 | 125 Ų | 125 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -68 | 120.9 | 172.3 | -70.2 | 174.7 | 0 | 0 | 0 | 110.7 | E75 H80 | E75-L78 HydrophobicContact CB-CD1 4.26Å; E75-L78 HydrophobicContact CB-CG 4.36Å; E75-L78 HydrophobicContact CG-CD1 4.46Å; L78-H80 PolarHBondContact O-CD2 2.87Å; L78-H80 PolarHBondContact O-N 3.14Å |
| 79 | A | 92.3 | Very high | 79 | Confident | 90 Ų | 90 | 122.1 Ų | 122.1 | 74% | 0.744 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 126 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | D77 | D77-A79 PolarHBondContact O-N 2.78Š|
| 80 | H | 94.6 | Very high | 81.2 | Confident | 190 Ų | 190 | 125.7 Ų | 125.7 | 88% | 0.88 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 126.9 | 172.6 | -76.2 | -140.3 | 0 | 0 | 0 | 110.2 | L78 | L78-H80 PolarHBondContact O-CD2 2.87Å; L78-H80 PolarHBondContact O-N 3.14Å |
| 81 | V | 95.6 | Very high | 83.4 | Confident | 122 Ų | 122 | 131.7 Ų | 131.7 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | trans | -108.8 | 149.2 | 179.9 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | Y83 | V81-Y83 PolarHBondContact O-N 3.46Š| ||
| 82 | P | 97.3 | Very high | 85.6 | Confident | 131 Ų | 131 | 127.1 Ų | 127.1 | 85% | 0.851 | 65% | 0.652 | S | S | * | * | trans | -61.3 | 129.5 | 175.7 | -23.3 | 34 | 0 | 0 | 0 | 112.5 | ||||
| 83 | Y | 97.6 | Very high | 87.7 | Confident | 201 Ų | 201 | 129.9 Ų | 129.9 | 79% | 0.788 | 67% | 0.665 | S | S | * | * | trans | -91.7 | 121.4 | 173.7 | 177.2 | -122.2 | 0 | 0 | 0 | 110.7 | V81 P85 | V81-Y83 PolarHBondContact O-N 3.46Å; Y83-P85 HydrophobicContact CD1-CG 4.17Å; Y83-P85 HydrophobicContact CE1-CB 4.08Å; Y83-P85 HydrophobicContact CE1-CG 3.56Å; Y83-P85 HydrophobicContact CE2-CB 4.19Å; Y83-P85 HydrophobicContact CE2-CG 4.43Å | ||
| 84 | S | 96.4 | Very high | 89.9 | Confident | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -131.5 | 81.4 | -178 | -164.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 85 | P | 96.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 126.9 Ų | 126.9 | 47% | 0.474 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 158.5 | 178.9 | 32.3 | -35.2 | 0 | 0 | 0 | 112 | Y83 R87 | Y83-P85 HydrophobicContact CD1-CG 4.17Å; Y83-P85 HydrophobicContact CE1-CB 4.08Å; Y83-P85 HydrophobicContact CE1-CG 3.56Å; Y83-P85 HydrophobicContact CE2-CB 4.19Å; Y83-P85 HydrophobicContact CE2-CG 4.43Å; P85-R87 PolarHBondContact O-N 3.49Å |
| 86 | Q | 97.1 | Very high | 93.8 | Very high | 146 Ų | 146 | 129.3 Ų | 129.3 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 125.5 | 170.2 | -176.4 | 173 | 3.2 | 0 | 0 | 110.6 | Y88 | Q86-Y88 VanDerWaalsContact CD-OH 3.28Å; Q86-Y88 HydrophobicContact CG-CE1 3.97Å; Q86-Y88 HydrophobicContact CG-CE2 4.25Å; Q86-Y88 PolarHBondContact OE1-OH 3.4Å; Q86-Y88 VanDerWaalsContact OE1-OH 3.11Å |
| 87 | R | 97.7 | Very high | 95.6 | Very high | 240 Ų | 240 | 126 Ų | 126 | 91% | 0.906 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -102 | 135.1 | 173.7 | -172.3 | 175.4 | 179.9 | 178.6 | 0.2 | 110.2 | P85 | P85-R87 PolarHBondContact O-N 3.49Š|
| 88 | Y | 98.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 123.2 Ų | 123.2 | 29% | 0.294 | 63% | 0.63 | S | S | . | * | trans | -108.2 | 152.3 | 178.3 | -57.7 | -80.1 | 0 | 0 | 0 | 111.1 | Q86 T92 | Q86-Y88 VanDerWaalsContact CD-OH 3.28Å; Q86-Y88 HydrophobicContact CG-CE1 3.97Å; Q86-Y88 HydrophobicContact CG-CE2 4.25Å; Q86-Y88 PolarHBondContact OE1-OH 3.4Å; Q86-Y88 VanDerWaalsContact OE1-OH 3.11Å; Y88-T92 HydrophobicContact CD1-CG2 3.97Å; Y88-T92 HydrophobicContact CG-CG2 4.37Å | ||
| 89 | P | 98.6 | Very high | 97.5 | Very high | 89 Ų | 89 | 121.9 Ų | 121.9 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | trans | -60.9 | 150.8 | 163.6 | -20.7 | 33.1 | 0 | 0 | 0 | 111.4 | E91 T92 M93 | P89-E91 VanDerWaalsContact C-N 3.31Å; P89-E91 PolarHBondContact O-N 3.42Å; P89-T92 WeakPolarHBondContact O-CA 3.37Å; P89-T92 WeakPolarHBondContact O-CB 3.28Å; P89-T92 PolarHBondContact O-N 2.73Å; P89-M93 WeakPolarHBondContact O-CG 3.46Å; P89-M93 PolarHBondContact O-N 3Å | ||
| 90 | E | 98.6 | Very high | 97.8 | Very high | 170 Ų | 170 | 123.1 Ų | 123.1 | 79% | 0.794 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.8 | -40.9 | -175 | -66.8 | -177.9 | -177.4 | 0 | 0 | 113.4 | T92 M93 L94 | E90-T92 VanDerWaalsContact C-N 3.32Å; E90-T92 PolarHBondContact O-N 2.89Å; E90-M93 WeakPolarHBondContact O-CB 3.49Å; E90-M93 PolarHBondContact O-N 3.04Å; E90-M93 VanDerWaalsContact O-N 3.16Å; E90-L94 PolarHBondContact O-N 3.32Å |
| 91 | E | 98.6 | Very high | 98 | Very high | 165 Ų | 165 | 122.1 Ų | 122.1 | 77% | 0.771 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60 | -43.6 | 176.4 | -176.3 | 179.2 | -175.2 | 0 | 0 | 111.7 | P89 L94 Q95 | P89-E91 VanDerWaalsContact C-N 3.31Å; P89-E91 PolarHBondContact O-N 3.42Å; E91-L94 PolarHBondContact O-N 2.94Å; E91-Q95 PolarHBondContact O-N 3.43Å |
| 92 | T | 98.5 | Very high | 98.1 | Very high | 58 Ų | 58 | 119 Ų | 119 | 36% | 0.356 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -38.7 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | Y88 P89 E90 Q95 R96 | Y88-T92 HydrophobicContact CD1-CG2 3.97Å; Y88-T92 HydrophobicContact CG-CG2 4.37Å; P89-T92 WeakPolarHBondContact O-CA 3.37Å; P89-T92 WeakPolarHBondContact O-CB 3.28Å; P89-T92 PolarHBondContact O-N 2.73Å; E90-T92 VanDerWaalsContact C-N 3.32Å; E90-T92 PolarHBondContact O-N 2.89Å; T92-Q95 PolarHBondContact O-N 3.39Å; T92-R96 HydrophobicContact CG2-CG 4.3Å; T92-R96 WeakPolarHBondContact O-CB 3.21Å; T92-R96 VanDerWaalsContact O-CG 3.24Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 2.95Å |
| 93 | M | 98.6 | Very high | 98.2 | Very high | 105 Ų | 105 | 115 Ų | 115 | 52% | 0.517 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.4 | -47.6 | 174.8 | -65.7 | 172.2 | 57.6 | 0 | 0 | 111 | P89 E90 Q95 R96 A97 | P89-M93 WeakPolarHBondContact O-CG 3.46Å; P89-M93 PolarHBondContact O-N 3Å; E90-M93 WeakPolarHBondContact O-CB 3.49Å; E90-M93 PolarHBondContact O-N 3.04Å; E90-M93 VanDerWaalsContact O-N 3.16Å; M93-Q95 PolarHBondContact O-N 3.47Å; M93-R96 PolarHBondContact O-N 3.15Å; M93-A97 WeakPolarHBondContact O-CB 3.37Å; M93-A97 PolarHBondContact O-N 3.18Å |
| 94 | L | 98.8 | Very high | 98.3 | Very high | 99 Ų | 99 | 107.4 Ų | 107.4 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | -179.9 | -178.3 | 61.3 | 0 | 0 | 0 | 111.7 | E90 E91 A97 K98 | E90-L94 PolarHBondContact O-N 3.32Å; E91-L94 PolarHBondContact O-N 2.94Å; L94-A97 PolarHBondContact O-N 3.38Å; L94-K98 HydrophobicContact CG-CD 4.47Å; L94-K98 WeakPolarHBondContact O-CG 3.44Å; L94-K98 PolarHBondContact O-N 3.24Å |
| 95 | Q | 98.7 | Very high | 98.4 | Very high | 95 Ų | 95 | 104.2 Ų | 104.2 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 178.4 | -172.6 | 55.9 | 45.6 | 0 | 0 | 111.3 | E91 T92 M93 A97 K98 D99 | E91-Q95 PolarHBondContact O-N 3.43Å; T92-Q95 PolarHBondContact O-N 3.39Å; M93-Q95 PolarHBondContact O-N 3.47Å; Q95-A97 VanDerWaalsContact C-N 3.3Å; Q95-A97 PolarHBondContact O-N 3.35Å; Q95-K98 WeakPolarHBondContact O-CB 3.45Å; Q95-K98 PolarHBondContact O-N 2.9Å; Q95-K98 VanDerWaalsContact O-N 3.17Å; Q95-D99 PolarHBondContact NE2-OD1 3.19Å; Q95-D99 PolarHBondContact NE2-OD2 2.79Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 3.29Å |
| 96 | R | 98.5 | Very high | 98.5 | Very high | 140 Ų | 140 | 107 Ų | 107 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 177.9 | -69.8 | -179.3 | 68.4 | 73 | 2.9 | 112.5 | T92 M93 D99 F100 | T92-R96 HydrophobicContact CG2-CG 4.3Å; T92-R96 WeakPolarHBondContact O-CB 3.21Å; T92-R96 VanDerWaalsContact O-CG 3.24Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 2.95Å; M93-R96 PolarHBondContact O-N 3.15Å; R96-D99 PolarHBondContact O-N 3.45Å; R96-F100 WeakPolarHBondContact O-CB 3.44Å; R96-F100 PolarHBondContact O-N 3.01Å |
| 97 | A | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 102.6 Ų | 102.6 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M93 L94 Q95 Y101 | M93-A97 WeakPolarHBondContact O-CB 3.37Å; M93-A97 PolarHBondContact O-N 3.18Å; L94-A97 PolarHBondContact O-N 3.38Å; Q95-A97 VanDerWaalsContact C-N 3.3Å; Q95-A97 PolarHBondContact O-N 3.35Å; A97-Y101 VanDerWaalsContact O-CB 3.28Å; A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 3.19Å |
| 98 | K | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 47% | 0.465 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 175 | -72.3 | 171.4 | -179 | 173.9 | 0 | 111.5 | L94 Q95 F100 Y101 S102 | L94-K98 HydrophobicContact CG-CD 4.47Å; L94-K98 WeakPolarHBondContact O-CG 3.44Å; L94-K98 PolarHBondContact O-N 3.24Å; Q95-K98 WeakPolarHBondContact O-CB 3.45Å; Q95-K98 PolarHBondContact O-N 2.9Å; Q95-K98 VanDerWaalsContact O-N 3.17Å; K98-F100 PolarHBondContact O-N 2.94Å; K98-Y101 PolarHBondContact O-N 3.33Å; K98-S102 WeakPolarHBondContact O-CB 3.48Å; K98-S102 PolarHBondContact O-N 3.49Å; K98-S102 PolarHBondContact O-OG 3.38Å |
| 99 | D | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 92.8 Ų | 92.8 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | -177.6 | -64.8 | -23 | 0 | 0 | 0 | 111.5 | Q95 R96 S102 L103 | Q95-D99 PolarHBondContact NE2-OD1 3.19Å; Q95-D99 PolarHBondContact NE2-OD2 2.79Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 3.29Å; R96-D99 PolarHBondContact O-N 3.45Å; D99-S102 PolarHBondContact O-N 3Å; D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.23Å |
| 100 | F | 98.8 | Very high | 98.6 | Very high | 116 Ų | 116 | 89.1 Ų | 89.1 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.9 | -171.2 | -110.7 | 0 | 0 | 0 | 112.1 | R96 K98 L103 M104 | R96-F100 WeakPolarHBondContact O-CB 3.44Å; R96-F100 PolarHBondContact O-N 3.01Å; K98-F100 PolarHBondContact O-N 2.94Å; F100-L103 HydrophobicContact CD2-CD2 4.45Å; F100-L103 PolarHBondContact O-N 3.37Å; F100-M104 HydrophobicContact CD1-CG 4.31Å; F100-M104 HydrophobicContact CD2-CG 4.43Å; F100-M104 HydrophobicContact CE1-CG 3.91Å; F100-M104 HydrophobicContact CE2-CG 4.04Å; F100-M104 HydrophobicContact CE2-SD 4.38Å; F100-M104 HydrophobicContact CZ-CG 3.77Å; F100-M104 HydrophobicContact CZ-SD 4.23Å; F100-M104 WeakPolarHBondContact O-CB 3.4Å; F100-M104 WeakPolarHBondContact O-CG 3.35Å; F100-M104 PolarHBondContact O-N 2.81Å |
| 101 | Y | 98.7 | Very high | 98.6 | Very high | 170 Ų | 170 | 84 Ų | 84 | 67% | 0.667 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.7 | -47.5 | 171.7 | 169.4 | -98.7 | 0 | 0 | 0 | 111.1 | A97 K98 L103 M104 S105 | A97-Y101 VanDerWaalsContact O-CB 3.28Å; A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 3.19Å; K98-Y101 PolarHBondContact O-N 3.33Å; Y101-L103 PolarHBondContact O-N 2.7Å; Y101-M104 PolarHBondContact O-N 2.75Å; Y101-S105 WeakPolarHBondContact O-CB 3.47Å; Y101-S105 PolarHBondContact O-N 2.86Å |
| 102 | S | 98.6 | Very high | 98.6 | Very high | 56 Ų | 56 | 81 Ų | 81 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 178.1 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | K98 D99 S105 Q106 | K98-S102 WeakPolarHBondContact O-CB 3.48Å; K98-S102 PolarHBondContact O-N 3.49Å; K98-S102 PolarHBondContact O-OG 3.38Å; D99-S102 PolarHBondContact O-N 3Å; S102-S105 PolarHBondContact O-N 3.45Å; S102-S105 PolarHBondContact O-OG 3.28Å; S102-Q106 WeakPolarHBondContact O-CG 3.45Å; S102-Q106 PolarHBondContact O-N 3.28Å |
| 103 | L | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 78.7 Ų | 78.7 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 174.6 | 177 | 65.9 | 0 | 0 | 0 | 111.8 | D99 F100 Y101 S105 Q106 Q236 N237 | D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.23Å; F100-L103 HydrophobicContact CD2-CD2 4.45Å; F100-L103 PolarHBondContact O-N 3.37Å; Y101-L103 PolarHBondContact O-N 2.7Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 3.37Å; L103-Q106 PolarHBondContact O-N 3.44Å; L103-Q236 HydrophobicContact CD1-CG 4.22Å; L103-Q236 HydrophobicContact CG-CG 4.21Å; L103-Q236 PolarHBondContact O-NE2 2.94Å; L103-N237 HydrophobicContact CD2-CB 4.32Å |
| 104 | M | 98.7 | Very high | 98.6 | Very high | 42 Ų | 42 | 74.8 Ų | 74.8 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72 | -23.8 | -178.3 | -67.3 | -54.6 | -62.8 | 0 | 0 | 113 | F100 Y101 Q106 R107 A233 Q236 R286 | F100-M104 HydrophobicContact CD1-CG 4.31Å; F100-M104 HydrophobicContact CD2-CG 4.43Å; F100-M104 HydrophobicContact CE1-CG 3.91Å; F100-M104 HydrophobicContact CE2-CG 4.04Å; F100-M104 HydrophobicContact CE2-SD 4.38Å; F100-M104 HydrophobicContact CZ-CG 3.77Å; F100-M104 HydrophobicContact CZ-SD 4.23Å; F100-M104 WeakPolarHBondContact O-CB 3.4Å; F100-M104 WeakPolarHBondContact O-CG 3.35Å; F100-M104 PolarHBondContact O-N 2.81Å; Y101-M104 PolarHBondContact O-N 2.75Å; M104-Q106 VanDerWaalsContact C-N 3.27Å; M104-Q106 PolarHBondContact O-N 3.22Å; M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 3.09Å; M104-A233 HydrophobicContact CE-CB 3.78Å; M104-A233 HydrophobicContact SD-CB 3.93Å; M104-Q236 HydrophobicContact SD-CB 4.2Å; M104-Q236 HydrophobicContact SD-CG 4.14Å; M104-R286 PolarHBondContact O-NH1 3.13Å; M104-R286 VanDerWaalsContact O-NH1 3.13Å |
| 105 | S | 98.2 | Very high | 98.6 | Very high | 48 Ų | 48 | 74.6 Ų | 74.6 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -33.1 | 174.6 | 79.4 | 0 | 0 | 0 | 0 | 111.9 | Y101 S102 L103 R107 R286 | Y101-S105 WeakPolarHBondContact O-CB 3.47Å; Y101-S105 PolarHBondContact O-N 2.86Å; S102-S105 PolarHBondContact O-N 3.45Å; S102-S105 PolarHBondContact O-OG 3.28Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 3.37Å; S105-R107 VanDerWaalsContact C-N 3.33Å; S105-R107 PolarHBondContact O-N 2.93Å; S105-R286 PolarHBondContact O-NH1 2.82Å |
| 106 | Q | 98.4 | Very high | 98.6 | Very high | 131 Ų | 131 | 75.1 Ų | 75.1 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -73.6 | -23.1 | 179.1 | -65.2 | 172 | 20.4 | 0 | 0 | 113 | S102 L103 M104 R108 | S102-Q106 WeakPolarHBondContact O-CG 3.45Å; S102-Q106 PolarHBondContact O-N 3.28Å; L103-Q106 PolarHBondContact O-N 3.44Å; M104-Q106 VanDerWaalsContact C-N 3.27Å; M104-Q106 PolarHBondContact O-N 3.22Å; Q106-R108 PolarHBondContact O-N 3.4Å |
| 107 | R | 98.7 | Very high | 98.5 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | trans | -59.5 | 122.1 | -179.4 | -167.4 | -154.8 | 67.1 | 75.3 | -5.7 | 111.1 | M104 S105 S109 Q236 R286 | M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 3.09Å; S105-R107 VanDerWaalsContact C-N 3.33Å; S105-R107 PolarHBondContact O-N 2.93Å; R107-S109 PolarHBondContact NH1-OG 3.3Å; R107-Q236 VanDerWaalsContact CA-OE1 3.3Å; R107-Q236 HydrophobicContact CB-CB 4.41Å; R107-Q236 HydrophobicContact CB-CG 3.99Å; R107-Q236 HydrophobicContact CG-CB 4.26Å; R107-Q236 HydrophobicContact CG-CG 4.36Å; R107-R286 PolarHBondContact O-NH2 3.43Å | ||
| 108 | R | 98.6 | Very high | 98.5 | Very high | 71 Ų | 71 | 71 Ų | 71 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | trans | -119.7 | 155.3 | 170 | -56.2 | -56.9 | -56.1 | -76.5 | -7.2 | 109.8 | Q106 V110 V281 P282 | Q106-R108 PolarHBondContact O-N 3.4Å; R108-V110 PolarHBondContact O-N 3.21Å; R108-V281 HydrophobicContact CB-CG1 3.96Å; R108-V281 HydrophobicContact CG-CG2 4.39Å; R108-V281 VanDerWaalsContact NH1-CG2 3.34Å; R108-P282 PolarHBondContact NH1-O 3.46Å; R108-P282 PolarHBondContact NH2-O 2.89Å | ||
| 109 | S | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 114.1 | 169.2 | -59.7 | 0 | 0 | 0 | 0 | 108.7 | R107 T242 | R107-S109 PolarHBondContact NH1-OG 3.3Å; S109-T242 WeakPolarHBondContact CA-O 3.07Å |
| 110 | V | 98.5 | Very high | 98.5 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | trans | -105.3 | 128.9 | -173.8 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | R108 F112 V241 T242 V243 P275 A279 V281 | R108-V110 PolarHBondContact O-N 3.21Å; V110-F112 VanDerWaalsContact CG1-O 3.26Å; V110-F112 WeakPolarHBondContact CG1-O 3.46Å; V110-V241 HydrophobicContact CB-CB 3.96Å; V110-V241 HydrophobicContact CB-CG2 3.86Å; V110-V241 HydrophobicContact CG1-CG2 4.04Å; V110-V241 HydrophobicContact CG2-CB 3.86Å; V110-V241 HydrophobicContact CG2-CG1 4.03Å; V110-V241 HydrophobicContact CG2-CG2 4.17Å; V110-T242 PolarHBondContact N-O 3.06Å; V110-V243 WeakPolarHBondContact O-CB 3.14Å; V110-V243 WeakPolarHBondContact O-CG1 3.4Å; V110-P275 HydrophobicContact CG1-CB 4.31Å; V110-A279 HydrophobicContact CG1-CB 4.09Å; V110-V281 HydrophobicContact CG2-CG1 4.26Å | ||
| 111 | R | 98.3 | Very high | 98.5 | Very high | 63 Ų | 63 | 72 Ų | 72 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -106.3 | -5.5 | -177.9 | -63.8 | -178.1 | 178.6 | 82.3 | -2.2 | 113.7 | T185 Y191 V243 | R111-T185 VanDerWaalsContact NE-CG2 3.26Å; R111-Y191 HydrophobicContact CB-CD1 4.39Å; R111-Y191 VanDerWaalsContact O-CD1 3.32Å; R111-Y191 WeakPolarHBondContact O-CD1 3.43Å; R111-V243 HydrophobicContact CG-CB 4.24Å; R111-V243 HydrophobicContact CG-CG1 4.16Å; R111-V243 HydrophobicContact CG-CG2 4.15Å |
| 112 | F | 98.2 | Very high | 98.5 | Very high | 103 Ų | 103 | 66.1 Ų | 66.1 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | trans | -114.8 | 103.7 | 176.4 | -55.6 | -80.7 | 0 | 0 | 0 | 107.7 | V110 A276 A279 | V110-F112 VanDerWaalsContact CG1-O 3.26Å; V110-F112 WeakPolarHBondContact CG1-O 3.46Å; F112-A276 HydrophobicContact CB-CB 4.05Å; F112-A276 PolarHBondContact O-N 2.97Å; F112-A279 HydrophobicContact CB-CB 3.85Å | ||
| 113 | I | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -112.9 | 140.5 | -171.7 | -63 | 173.9 | 0 | 0 | 0 | 108 | V194 A195 P271 Y274 | I113-V194 WeakPolarHBondContact O-CG1 3.47Å; I113-A195 HydrophobicContact CB-CB 4.28Å; I113-A195 HydrophobicContact CD1-CB 4.14Å; I113-A195 HydrophobicContact CG2-CB 3.74Å; I113-P271 HydrophobicContact CD1-CB 3.66Å; I113-P271 HydrophobicContact CD1-CG 3.72Å; I113-P271 WeakPolarHBondContact CD1-O 3.42Å; I113-Y274 CarbonylContact C-O 3.59Å; I113-Y274 WeakPolarHBondContact CA-O 3.19Å; I113-Y274 WeakPolarHBondContact CG2-O 3.44Å |
| 114 | S | 98.7 | Very high | 98.5 | Very high | 23 Ų | 23 | 64 Ų | 64 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | trans | -75 | 144.7 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 111 | E116 P196 Y274 | S114-E116 PolarHBondContact O-N 3.18Å; S114-E116 VanDerWaalsContact OG-CB 3.28Å; S114-E116 WeakPolarHBondContact OG-CB 3.24Å; S114-E116 PolarHBondContact OG-N 2.66Å; S114-E116 VanDerWaalsContact OG-N 3.15Å; S114-P196 WeakPolarHBondContact O-CD 3.25Å; S114-Y274 PolarHBondContact N-O 3.4Å | ||
| 115 | P | 98.3 | Very high | 98.5 | Very high | 96 Ų | 96 | 67.6 Ų | 67.6 | 62% | 0.623 | 34% | 0.341 | S | S | * | . | trans | -75.7 | -2.1 | 170.7 | 33.5 | -36.2 | 0 | 0 | 0 | 113.3 | V194 | P115-V194 WeakPolarHBondContact CA-O 3.37Å; P115-V194 HydrophobicContact CB-CG1 4.04Å; P115-V194 HydrophobicContact CG-CG1 4.36Å | ||
| 116 | E | 98.4 | Very high | 98.5 | Very high | 106 Ų | 106 | 65.3 Ų | 65.3 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | trans | -53.6 | 130.7 | 179 | -178.6 | 178 | 175.4 | 0 | 0 | 111.2 | S114 Y274 | S114-E116 PolarHBondContact O-N 3.18Å; S114-E116 VanDerWaalsContact OG-CB 3.28Å; S114-E116 WeakPolarHBondContact OG-CB 3.24Å; S114-E116 PolarHBondContact OG-N 2.66Å; S114-E116 VanDerWaalsContact OG-N 3.15Å; E116-Y274 HydrophobicContact CB-CD2 3.98Å; E116-Y274 HydrophobicContact CG-CD2 3.87Å; E116-Y274 HydrophobicContact CG-CE2 4.06Å | ||
| 117 | P | 98.1 | Very high | 98.5 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 69% | 0.688 | 30% | 0.303 | S | S | * | . | trans | -66.2 | 139.3 | -174.8 | 26.8 | -35 | 0 | 0 | 0 | 111.6 | ||||
| 118 | V | 98.3 | Very high | 98.5 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | trans | -104 | 135.3 | 172.1 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | R120 V122 I123 P196 Y197 L240 Y274 | V118-R120 PolarHBondContact O-N 3.31Å; V118-V122 HydrophobicContact CG1-CB 4.44Å; V118-I123 HydrophobicContact CG1-CD1 3.92Å; V118-I123 HydrophobicContact CG1-CG1 4.21Å; V118-P196 HydrophobicContact CB-CG 4.47Å; V118-P196 HydrophobicContact CG2-CG 3.92Å; V118-Y197 HydrophobicContact CB-CD2 4.26Å; V118-Y197 HydrophobicContact CB-CE2 3.99Å; V118-Y197 WeakPolarHBondContact O-CE2 3.39Å; V118-Y197 PolarHBondContact O-OH 3.16Å; V118-L240 HydrophobicContact CG1-CD1 3.74Å; V118-L240 HydrophobicContact CG1-CD2 4.09Å; V118-L240 HydrophobicContact CG2-CD2 3.65Å; V118-Y274 HydrophobicContact CG2-CD2 4.11Å; V118-Y274 HydrophobicContact CG2-CE2 3.84Å | ||
| 119 | P | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | trans | -57.1 | 128.2 | 176.5 | -24.6 | 33.7 | 0 | 0 | 0 | 111.7 | E121 V122 | P119-E121 PolarHBondContact O-N 3.21Å; P119-V122 HydrophobicContact CB-CG2 4.07Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CB 3.48Å; P119-V122 PolarHBondContact O-N 2.68Å | ||
| 120 | R | 97.9 | Very high | 98.5 | Very high | 124 Ų | 124 | 60.7 Ų | 60.7 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.4 | -37.6 | -177 | 176.1 | 58.1 | -163.8 | -94.6 | -4 | 112.8 | V118 V122 I123 D124 | V118-R120 PolarHBondContact O-N 3.31Å; R120-V122 PolarHBondContact O-N 3.45Å; R120-I123 WeakPolarHBondContact O-CA 3.21Å; R120-I123 WeakPolarHBondContact O-CB 3.42Å; R120-I123 PolarHBondContact O-N 3.46Å; R120-D124 IonicContact CZ-OD1 3.55Å; R120-D124 VanDerWaalsContact CZ-OD1 3.27Å; R120-D124 IonicContact NE-OD1 2.87Å; R120-D124 PolarHBondContact NE-OD1 3.34Å; R120-D124 IonicContact NE-OD2 2.76Å; R120-D124 IonicContact NH2-OD1 3.27Å; R120-D124 PolarHBondContact NH2-OD1 3.28Å; R120-D124 PolarHBondContact O-N 3.3Å |
| 121 | E | 98.5 | Very high | 98.6 | Very high | 134 Ų | 134 | 61.2 Ų | 61.2 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60 | -35 | 178.1 | -172.8 | 177.9 | -175.5 | 0 | 0 | 112.3 | P119 I123 D124 K125 | P119-E121 PolarHBondContact O-N 3.21Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.97Å; E121-D124 PolarHBondContact O-N 2.67Å; E121-K125 HydrophobicContact CG-CG 4.42Å; E121-K125 VanDerWaalsContact O-CG 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.31Å; E121-K125 PolarHBondContact O-N 3.07Å |
| 122 | V | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | V118 P119 R120 D124 K125 V126 V238 L240 | V118-V122 HydrophobicContact CG1-CB 4.44Å; P119-V122 HydrophobicContact CB-CG2 4.07Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CB 3.48Å; P119-V122 PolarHBondContact O-N 2.68Å; R120-V122 PolarHBondContact O-N 3.45Å; V122-D124 VanDerWaalsContact C-N 3.35Å; V122-D124 PolarHBondContact O-N 3.04Å; V122-K125 PolarHBondContact O-N 3.16Å; V122-V126 WeakPolarHBondContact O-CG1 3.34Å; V122-V126 PolarHBondContact O-N 2.76Å; V122-V238 HydrophobicContact CG1-CB 4.08Å; V122-V238 HydrophobicContact CG1-CG1 4.4Å; V122-V238 HydrophobicContact CG1-CG2 3.78Å; V122-L240 HydrophobicContact CG1-CD1 4.01Å |
| 123 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.7 | -56.8 | -58 | 0 | 0 | 0 | 111.1 | V118 R120 E121 K125 V126 I127 V146 Y197 I199 L240 V272 | V118-I123 HydrophobicContact CG1-CD1 3.92Å; V118-I123 HydrophobicContact CG1-CG1 4.21Å; R120-I123 WeakPolarHBondContact O-CA 3.21Å; R120-I123 WeakPolarHBondContact O-CB 3.42Å; R120-I123 PolarHBondContact O-N 3.46Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.97Å; I123-K125 PolarHBondContact O-N 2.83Å; I123-V126 WeakPolarHBondContact O-CG2 3.32Å; I123-V126 PolarHBondContact O-N 2.99Å; I123-I127 HydrophobicContact CG2-CD1 3.89Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.46Å; I123-I127 VanDerWaalsContact O-N 3.14Å; I123-V146 HydrophobicContact CG2-CG1 4.04Å; I123-V146 HydrophobicContact CG2-CG2 4.27Å; I123-Y197 HydrophobicContact CD1-CD2 3.89Å; I123-Y197 HydrophobicContact CD1-CE2 4.32Å; I123-Y197 HydrophobicContact CD1-CG 4.32Å; I123-Y197 HydrophobicContact CG1-CD1 4.44Å; I123-Y197 HydrophobicContact CG1-CD2 3.68Å; I123-Y197 HydrophobicContact CG1-CE1 4.44Å; I123-Y197 HydrophobicContact CG1-CE2 3.69Å; I123-Y197 HydrophobicContact CG1-CG 4.07Å; I123-I199 HydrophobicContact CG2-CD1 4.3Å; I123-L240 HydrophobicContact CD1-CD1 4.2Å; I123-V272 HydrophobicContact CD1-CG1 3.94Å |
| 124 | D | 98.7 | Very high | 98.6 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 178.1 | -63.2 | -27.3 | 0 | 0 | 0 | 111.2 | R120 E121 V122 I127 L128 | R120-D124 IonicContact CZ-OD1 3.55Å; R120-D124 VanDerWaalsContact CZ-OD1 3.27Å; R120-D124 IonicContact NE-OD1 2.87Å; R120-D124 PolarHBondContact NE-OD1 3.34Å; R120-D124 IonicContact NE-OD2 2.76Å; R120-D124 IonicContact NH2-OD1 3.27Å; R120-D124 PolarHBondContact NH2-OD1 3.28Å; R120-D124 PolarHBondContact O-N 3.3Å; E121-D124 PolarHBondContact O-N 2.67Å; V122-D124 VanDerWaalsContact C-N 3.35Å; V122-D124 PolarHBondContact O-N 3.04Å; D124-I127 PolarHBondContact O-N 3.37Å; D124-L128 WeakPolarHBondContact O-CB 3.34Å; D124-L128 WeakPolarHBondContact O-CG 3.47Å; D124-L128 PolarHBondContact O-N 2.99Å |
| 125 | K | 98.9 | Very high | 98.5 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 178.4 | -66.9 | -60.2 | 178.8 | -171.2 | 0 | 113.3 | E121 V122 I123 I127 L128 T129 | E121-K125 HydrophobicContact CG-CG 4.42Å; E121-K125 VanDerWaalsContact O-CG 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.31Å; E121-K125 PolarHBondContact O-N 3.07Å; V122-K125 PolarHBondContact O-N 3.16Å; I123-K125 PolarHBondContact O-N 2.83Å; K125-I127 VanDerWaalsContact C-N 3.31Å; K125-I127 PolarHBondContact O-N 2.62Å; K125-L128 HydrophobicContact CD-CD1 4.27Å; K125-L128 PolarHBondContact O-N 3.47Å; K125-T129 PolarHBondContact O-N 3.36Å; K125-T129 PolarHBondContact O-OG1 2.94Å |
| 126 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -33.2 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | V122 I123 T129 A130 L231 S234 L235 V238 | V122-V126 WeakPolarHBondContact O-CG1 3.34Å; V122-V126 PolarHBondContact O-N 2.76Å; I123-V126 WeakPolarHBondContact O-CG2 3.32Å; I123-V126 PolarHBondContact O-N 2.99Å; V126-T129 WeakPolarHBondContact O-CB 3.38Å; V126-T129 PolarHBondContact O-N 2.92Å; V126-A130 PolarHBondContact O-N 3.48Å; V126-L231 HydrophobicContact CB-CD1 4.02Å; V126-L231 HydrophobicContact CG2-CD1 3.85Å; V126-S234 WeakPolarHBondContact CA-OG 3.28Å; V126-S234 WeakPolarHBondContact CG1-OG 3.31Å; V126-L235 HydrophobicContact CG1-CD2 4.45Å; V126-L235 HydrophobicContact CG2-CD2 3.99Å; V126-V238 HydrophobicContact CG1-CG1 4.17Å; V126-V238 HydrophobicContact CG1-CG2 3.83Å |
| 127 | I | 98.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.1 | -43.4 | 174.1 | -69.7 | 169.3 | 0 | 0 | 0 | 111.2 | I123 D124 K125 T129 A130 G131 F144 V146 I199 L231 | I123-I127 HydrophobicContact CG2-CD1 3.89Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.46Å; I123-I127 VanDerWaalsContact O-N 3.14Å; D124-I127 PolarHBondContact O-N 3.37Å; K125-I127 VanDerWaalsContact C-N 3.31Å; K125-I127 PolarHBondContact O-N 2.62Å; I127-T129 PolarHBondContact O-N 2.82Å; I127-A130 WeakPolarHBondContact O-CA 3.26Å; I127-A130 WeakPolarHBondContact O-CB 3.37Å; I127-A130 PolarHBondContact O-N 2.89Å; I127-G131 PolarHBondContact O-N 3.41Å; I127-F144 HydrophobicContact CD1-CB 4.18Å; I127-F144 HydrophobicContact CG1-CB 4.38Å; I127-F144 HydrophobicContact CG1-CG 4.49Å; I127-F144 HydrophobicContact CG2-CB 3.89Å; I127-F144 HydrophobicContact CG2-CD1 4.5Å; I127-F144 HydrophobicContact CG2-CD2 3.74Å; I127-F144 HydrophobicContact CG2-CE2 4.44Å; I127-F144 HydrophobicContact CG2-CG 3.79Å; I127-V146 HydrophobicContact CD1-CG2 3.25Å; I127-I199 HydrophobicContact CD1-CD1 4.33Å; I127-I199 HydrophobicContact CG1-CD1 4.44Å; I127-L231 HydrophobicContact CG1-CD1 4.43Å |
| 128 | L | 98.8 | Very high | 97.8 | Very high | 113 Ų | 113 | 58 Ų | 58 | 59% | 0.592 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57.9 | -39.1 | 172.7 | -76.1 | 170.6 | 0 | 0 | 0 | 111.3 | D124 K125 G131 T132 | D124-L128 WeakPolarHBondContact O-CB 3.34Å; D124-L128 WeakPolarHBondContact O-CG 3.47Å; D124-L128 PolarHBondContact O-N 2.99Å; K125-L128 HydrophobicContact CD-CD1 4.27Å; K125-L128 PolarHBondContact O-N 3.47Å; L128-G131 PolarHBondContact O-N 2.83Å; L128-T132 WeakPolarHBondContact O-CG2 3.17Å; L128-T132 PolarHBondContact O-N 2.61Å |
| 129 | T | 98.9 | Very high | 97.6 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 173.7 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | K125 V126 I127 G131 T132 I230 S234 | K125-T129 PolarHBondContact O-N 3.36Å; K125-T129 PolarHBondContact O-OG1 2.94Å; V126-T129 WeakPolarHBondContact O-CB 3.38Å; V126-T129 PolarHBondContact O-N 2.92Å; I127-T129 PolarHBondContact O-N 2.82Å; T129-G131 VanDerWaalsContact C-N 3.27Å; T129-G131 PolarHBondContact O-N 2.83Å; T129-T132 PolarHBondContact O-N 2.84Å; T129-T132 VanDerWaalsContact O-N 3.15Å; T129-T132 PolarHBondContact O-OG1 3.37Å; T129-I230 HydrophobicContact CG2-CG2 3.81Å; T129-I230 VanDerWaalsContact O-CG2 3.28Å; T129-I230 WeakPolarHBondContact O-CG2 3.46Å; T129-S234 PolarHBondContact OG1-OG 3.33Å |
| 130 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V126 I127 T132 A133 F144 S227 L231 | V126-A130 PolarHBondContact O-N 3.48Å; I127-A130 WeakPolarHBondContact O-CA 3.26Å; I127-A130 WeakPolarHBondContact O-CB 3.37Å; I127-A130 PolarHBondContact O-N 2.89Å; A130-T132 PolarHBondContact O-N 2.84Å; A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.01Å; A130-F144 HydrophobicContact CB-CE1 4.07Å; A130-F144 HydrophobicContact CB-CE2 4.47Å; A130-F144 HydrophobicContact CB-CZ 3.77Å; A130-S227 VanDerWaalsContact C-OG 3.28Å; A130-S227 PolarHBondContact O-OG 2.82Å; A130-L231 HydrophobicContact CB-CB 3.75Å; A130-L231 HydrophobicContact CB-CD1 4.23Å; A130-L231 HydrophobicContact CB-CG 4.45Å |
| 131 | G | 98.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 53 Ų | 53 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I127 L128 T129 A133 | I127-G131 PolarHBondContact O-N 3.41Å; L128-G131 PolarHBondContact O-N 2.83Å; T129-G131 VanDerWaalsContact C-N 3.27Å; T129-G131 PolarHBondContact O-N 2.83Å; G131-A133 PolarHBondContact O-N 3.02Å |
| 132 | T | 98.8 | Very high | 97.6 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 64% | 0.638 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 6.9 | 174.2 | 79.8 | 0 | 0 | 0 | 0 | 113.2 | L128 T129 A130 | L128-T132 WeakPolarHBondContact O-CG2 3.17Å; L128-T132 PolarHBondContact O-N 2.61Å; T129-T132 PolarHBondContact O-N 2.84Å; T129-T132 VanDerWaalsContact O-N 3.15Å; T129-T132 PolarHBondContact O-OG1 3.37Å; A130-T132 PolarHBondContact O-N 2.84Å |
| 133 | A | 98.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -63.3 | 149.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A130 G131 W142 I226 I230 | A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.01Å; G131-A133 PolarHBondContact O-N 3.02Å; A133-W142 HydrophobicContact CB-CH2 3.7Å; A133-W142 HydrophobicContact CB-CZ2 4.42Å; A133-W142 HydrophobicContact CB-CZ3 3.89Å; A133-W142 VanDerWaalsContact O-CH2 3.31Å; A133-W142 WeakPolarHBondContact O-CH2 3.43Å; A133-I226 HydrophobicContact CB-CG2 4.36Å; A133-I230 HydrophobicContact CB-CD1 3.83Å |
| 134 | P | 98.3 | Very high | 97.6 | Very high | 84 Ų | 84 | 48.4 Ų | 48.4 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | trans | -67 | 154.3 | 165.3 | 31.2 | -35.5 | 0 | 0 | 0 | 110.4 | I226 | P134-I226 HydrophobicContact CG-CG2 4.05Š| ||
| 135 | S | 97.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | trans | -146.7 | 150 | 174.9 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | A137 H138 T139 E140 | S135-A137 PolarHBondContact O-N 3.36Å; S135-H138 PolarHBondContact O-N 2.86Å; S135-H138 VanDerWaalsContact O-N 3.14Å; S135-H138 WeakPolarHBondContact OG-CA 3.35Å; S135-T139 PolarHBondContact OG-N 2.7Å; S135-E140 PolarHBondContact OG-N 3.09Å | ||
| 136 | G | 92.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 19% | 0.186 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -56.7 | 123.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | H138 T139 S223 | G136-H138 PolarHBondContact O-N 3.42Å; G136-H138 VanDerWaalsContact O-N 3.16Å; G136-T139 WeakPolarHBondContact O-CB 3.36Å; G136-T139 VanDerWaalsContact O-CG2 3.23Å; G136-T139 WeakPolarHBondContact O-CG2 3.49Å; G136-T139 PolarHBondContact O-N 2.87Å; G136-T139 PolarHBondContact O-OG1 3.22Å; G136-S223 PolarHBondContact N-OG 3.24Å |
| 137 | A | 91.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 56% | 0.562 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | 50.8 | 34 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S135 T139 Y218 | S135-A137 PolarHBondContact O-N 3.36Å; A137-T139 HydrophobicContact CB-CG2 4.35Å; A137-T139 PolarHBondContact O-N 2.93Å; A137-Y218 HydrophobicContact CB-CD2 3.78Å; A137-Y218 HydrophobicContact CB-CE2 4.13Å |
| 138 | H | 94.7 | Very high | 97.5 | Very high | 131 Ų | 131 | 44.8 Ų | 44.8 | 61% | 0.606 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | 52.8 | 37.9 | -179.5 | -165.4 | 14.6 | 0 | 0 | 0 | 113.4 | S135 G136 E140 | S135-H138 PolarHBondContact O-N 2.86Å; S135-H138 VanDerWaalsContact O-N 3.14Å; S135-H138 WeakPolarHBondContact OG-CA 3.35Å; G136-H138 PolarHBondContact O-N 3.42Å; G136-H138 VanDerWaalsContact O-N 3.16Å; H138-E140 IonicContact CE1-OE2 2.64Å; H138-E140 PolarHBondContact CE1-OE2 3.49Å; H138-E140 IonicContact ND1-OE2 2.72Å |
| 139 | T | 94.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | trans | -80.8 | -15.9 | -176.1 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | S135 G136 A137 T216 | S135-T139 PolarHBondContact OG-N 2.7Å; G136-T139 WeakPolarHBondContact O-CB 3.36Å; G136-T139 VanDerWaalsContact O-CG2 3.23Å; G136-T139 WeakPolarHBondContact O-CG2 3.49Å; G136-T139 PolarHBondContact O-N 2.87Å; G136-T139 PolarHBondContact O-OG1 3.22Å; A137-T139 HydrophobicContact CB-CG2 4.35Å; A137-T139 PolarHBondContact O-N 2.93Å; T139-T216 WeakPolarHBondContact CG2-O 3.43Å | ||
| 140 | E | 97.9 | Very high | 97.5 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | trans | 43.8 | 53.1 | -179.9 | -59.9 | -179.3 | 83.9 | 0 | 0 | 113.6 | S135 H138 W142 | S135-E140 PolarHBondContact OG-N 3.09Å; H138-E140 IonicContact CE1-OE2 2.64Å; H138-E140 PolarHBondContact CE1-OE2 3.49Å; H138-E140 IonicContact ND1-OE2 2.72Å; E140-W142 HydrophobicContact CB-CH2 4.4Å; E140-W142 HydrophobicContact CB-CZ2 3.69Å; E140-W142 HydrophobicContact CG-CH2 4.37Å; E140-W142 HydrophobicContact CG-CZ2 3.76Å; E140-W142 PolarHBondContact O-N 3.36Å | ||
| 141 | P | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -83.4 | 44.2 | -159.6 | 37.2 | -39.2 | 0 | 0 | 0 | 113 | Q204 H217 N220 V224 | P141-Q204 HydrophobicContact CB-CB 4.26Å; P141-Q204 PolarHBondContact O-N 3.44Å; P141-H217 HydrophobicContact CB-CB 3.83Å; P141-H217 VanDerWaalsContact CB-ND1 3.25Å; P141-H217 WeakPolarHBondContact CB-ND1 3.39Å; P141-N220 HydrophobicContact CB-CB 4Å; P141-N220 HydrophobicContact CG-CB 3.92Å; P141-V224 HydrophobicContact CG-CG2 4.13Å; P141-V224 WeakPolarHBondContact O-CG2 3.27Å | ||
| 142 | W | 98.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.9 | -173.6 | 41.3 | 63.6 | 0 | 0 | 0 | 112.5 | A133 E140 F144 F202 V224 | A133-W142 HydrophobicContact CB-CH2 3.7Å; A133-W142 HydrophobicContact CB-CZ2 4.42Å; A133-W142 HydrophobicContact CB-CZ3 3.89Å; A133-W142 VanDerWaalsContact O-CH2 3.31Å; A133-W142 WeakPolarHBondContact O-CH2 3.43Å; E140-W142 HydrophobicContact CB-CH2 4.4Å; E140-W142 HydrophobicContact CB-CZ2 3.69Å; E140-W142 HydrophobicContact CG-CH2 4.37Å; E140-W142 HydrophobicContact CG-CZ2 3.76Å; E140-W142 PolarHBondContact O-N 3.36Å; W142-F144 HydrophobicContact CB-CE2 3.97Å; W142-F144 HydrophobicContact CB-CZ 4.27Å; W142-F144 AromaticContact CD1-CE2 3.66Å; W142-F144 AromaticContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CZ 4.31Å; W142-F202 WeakPolarHBondContact CA-O 3.42Å; W142-V224 HydrophobicContact CB-CG1 4.27Å; W142-V224 HydrophobicContact CB-CG2 4Å; W142-V224 HydrophobicContact CE3-CG2 4.29Å |
| 143 | T | 98.7 | Very high | 97.5 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 125 | 166.9 | -66 | 0 | 0 | 0 | 0 | 109.5 | V145 F202 Q204 E264 | T143-V145 HydrophobicContact CG2-CG2 4.04Å; T143-F202 PolarHBondContact N-O 2.93Å; T143-F202 PolarHBondContact O-N 3.49Å; T143-Q204 PolarHBondContact OG1-NE2 3.3Å; T143-E264 PolarHBondContact OG1-OE1 2.68Å |
| 144 | F | 98.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 101.8 | 176.9 | -59.3 | -88.7 | 0 | 0 | 0 | 109.2 | I127 A130 W142 V146 I199 I201 S227 L231 | I127-F144 HydrophobicContact CD1-CB 4.18Å; I127-F144 HydrophobicContact CG1-CB 4.38Å; I127-F144 HydrophobicContact CG1-CG 4.49Å; I127-F144 HydrophobicContact CG2-CB 3.89Å; I127-F144 HydrophobicContact CG2-CD1 4.5Å; I127-F144 HydrophobicContact CG2-CD2 3.74Å; I127-F144 HydrophobicContact CG2-CE2 4.44Å; I127-F144 HydrophobicContact CG2-CG 3.79Å; A130-F144 HydrophobicContact CB-CE1 4.07Å; A130-F144 HydrophobicContact CB-CE2 4.47Å; A130-F144 HydrophobicContact CB-CZ 3.77Å; W142-F144 HydrophobicContact CB-CE2 3.97Å; W142-F144 HydrophobicContact CB-CZ 4.27Å; W142-F144 AromaticContact CD1-CE2 3.66Å; W142-F144 AromaticContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CZ 4.31Å; F144-V146 PolarHBondContact O-N 2.96Å; F144-I199 HydrophobicContact CB-CG2 4.34Å; F144-I199 HydrophobicContact CD1-CG2 4.16Å; F144-I201 HydrophobicContact CD1-CB 4.47Å; F144-I201 HydrophobicContact CD1-CG1 3.65Å; F144-I201 HydrophobicContact CD1-CG2 4.19Å; F144-I201 HydrophobicContact CE1-CG1 3.78Å; F144-I201 HydrophobicContact CE1-CG2 3.91Å; F144-I201 HydrophobicContact CZ-CG2 4.48Å; F144-S227 WeakPolarHBondContact CZ-OG 3.16Å; F144-L231 HydrophobicContact CD1-CD2 4.17Å; F144-L231 HydrophobicContact CE1-CD2 3.98Å |
| 145 | V | 98.8 | Very high | 97.5 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 108.8 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | T143 V147 I199 L200 F202 L258 R260 | T143-V145 HydrophobicContact CG2-CG2 4.04Å; V145-V147 HydrophobicContact CG1-CG2 4.11Å; V145-I199 WeakPolarHBondContact O-CA 3.4Å; V145-L200 HydrophobicContact CB-CB 4.29Å; V145-L200 PolarHBondContact N-O 3.48Å; V145-L200 PolarHBondContact O-N 3.29Å; V145-F202 HydrophobicContact CB-CE2 4.47Å; V145-F202 HydrophobicContact CG2-CD2 3.81Å; V145-F202 HydrophobicContact CG2-CE2 3.92Å; V145-L258 HydrophobicContact CG1-CD1 4.08Å; V145-L258 HydrophobicContact CG1-CD2 4.25Å; V145-R260 HydrophobicContact CG2-CG 4.2Å |
| 146 | V | 98.7 | Very high | 97.5 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 22% | 0.218 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.3 | 179.1 | -177 | 0 | 0 | 0 | 0 | 109.9 | I123 I127 F144 Y197 L198 | I123-V146 HydrophobicContact CG2-CG1 4.04Å; I123-V146 HydrophobicContact CG2-CG2 4.27Å; I127-V146 HydrophobicContact CD1-CG2 3.25Å; F144-V146 PolarHBondContact O-N 2.96Å; V146-Y197 HydrophobicContact CG1-CD1 3.59Å; V146-Y197 HydrophobicContact CG1-CE1 4.17Å; V146-Y197 HydrophobicContact CG1-CG 4.48Å; V146-L198 WeakPolarHBondContact CA-O 3.43Å |
| 147 | V | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.4 | -178.8 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | V145 T152 K153 I156 Y197 L198 L200 L258 | V145-V147 HydrophobicContact CG1-CG2 4.11Å; V147-T152 HydrophobicContact CG1-CG2 3.62Å; V147-K153 HydrophobicContact CG1-CG 3.87Å; V147-I156 HydrophobicContact CB-CD1 4.45Å; V147-I156 HydrophobicContact CG1-CD1 4.22Å; V147-I156 HydrophobicContact CG2-CD1 4.13Å; V147-Y197 CarbonylContact O-C 3.5Å; V147-Y197 WeakPolarHBondContact O-CA 3.5Å; V147-L198 HydrophobicContact CB-CB 4.32Å; V147-L198 PolarHBondContact N-O 3.35Å; V147-L198 PolarHBondContact O-N 3.45Å; V147-L200 HydrophobicContact CG2-CD1 3.79Å; V147-L258 HydrophobicContact CG2-CD2 3.97Å |
| 148 | S | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | trans | -118.3 | -15.3 | 170.9 | 47.6 | 0 | 0 | 0 | 0 | 113 | L150 | S148-L150 PolarHBondContact O-N 2.72Š| ||
| 149 | D | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | trans | -62.3 | 124.8 | 176.7 | 174.9 | 64.2 | 0 | 0 | 0 | 111.5 | D151 T152 K153 | D149-D151 PolarHBondContact O-N 3.18Å; D149-T152 PolarHBondContact O-N 2.8Å; D149-T152 WeakPolarHBondContact OD2-CB 3.29Å; D149-T152 PolarHBondContact OD2-N 3.22Å; D149-T152 PolarHBondContact OD2-OG1 3.02Å; D149-K153 WeakPolarHBondContact O-CG 3.27Å; D149-K153 PolarHBondContact O-N 2.84Å | ||
| 150 | L | 98.2 | Very high | 98.3 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 63% | 0.628 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.7 | -42.7 | -173.3 | -63.4 | 179.2 | 0 | 0 | 0 | 111.8 | S148 T152 K153 H154 | S148-L150 PolarHBondContact O-N 2.72Å; L150-T152 PolarHBondContact O-N 3.21Å; L150-K153 PolarHBondContact O-N 3.06Å; L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-N 3.2Å |
| 151 | D | 98.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 45.3 Ų | 45.3 | 60% | 0.599 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.7 | -40.8 | -179.3 | -72.1 | -13.3 | 0 | 0 | 0 | 111.4 | D149 H154 K155 | D149-D151 PolarHBondContact O-N 3.18Å; D151-H154 PolarHBondContact O-N 3.16Å; D151-K155 VanDerWaalsContact O-CG 3.31Å; D151-K155 WeakPolarHBondContact O-CG 3.22Å; D151-K155 PolarHBondContact O-N 3.14Å |
| 152 | T | 98.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | V147 D149 L150 H154 K155 I156 L258 | V147-T152 HydrophobicContact CG1-CG2 3.62Å; D149-T152 PolarHBondContact O-N 2.8Å; D149-T152 WeakPolarHBondContact OD2-CB 3.29Å; D149-T152 PolarHBondContact OD2-N 3.22Å; D149-T152 PolarHBondContact OD2-OG1 3.02Å; L150-T152 PolarHBondContact O-N 3.21Å; T152-H154 VanDerWaalsContact C-N 3.31Å; T152-H154 PolarHBondContact O-N 2.99Å; T152-K155 PolarHBondContact O-N 3.36Å; T152-I156 HydrophobicContact CG2-CD1 4.19Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 3.48Å; T152-I156 PolarHBondContact O-N 3.15Å; T152-L258 HydrophobicContact CG2-CD2 3.93Å |
| 153 | K | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -43.3 | 173.8 | -75.9 | -164.3 | -63.7 | 160.2 | 0 | 112 | V147 D149 L150 I156 R157 L192 D193 A195 L198 | V147-K153 HydrophobicContact CG1-CG 3.87Å; D149-K153 WeakPolarHBondContact O-CG 3.27Å; D149-K153 PolarHBondContact O-N 2.84Å; L150-K153 PolarHBondContact O-N 3.06Å; K153-I156 WeakPolarHBondContact O-CB 3.48Å; K153-I156 PolarHBondContact O-N 3.49Å; K153-R157 PolarHBondContact O-N 3.41Å; K153-L192 WeakPolarHBondContact CB-O 3.5Å; K153-D193 PolarHBondContact NZ-O 2.75Å; K153-A195 PolarHBondContact NZ-O 3.36Å; K153-L198 HydrophobicContact CB-CD1 4.17Å; K153-L198 HydrophobicContact CD-CD1 4.22Å; K153-L198 HydrophobicContact CD-CG 3.88Å; K153-L198 HydrophobicContact CG-CD1 3.75Å; K153-L198 HydrophobicContact CG-CG 3.89Å |
| 154 | H | 98.6 | Very high | 97.3 | Very high | 84 Ų | 84 | 47.9 Ų | 47.9 | 39% | 0.389 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 178.3 | -169.8 | 63.3 | 0 | 0 | 0 | 112.6 | L150 D151 T152 I156 R157 L158 D193 | L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-N 3.2Å; D151-H154 PolarHBondContact O-N 3.16Å; T152-H154 VanDerWaalsContact C-N 3.31Å; T152-H154 PolarHBondContact O-N 2.99Å; H154-I156 VanDerWaalsContact C-N 3.33Å; H154-I156 PolarHBondContact O-N 3.07Å; H154-R157 WeakPolarHBondContact O-CB 3.39Å; H154-R157 PolarHBondContact O-N 3.23Å; H154-L158 WeakPolarHBondContact O-CG 3.46Å; H154-L158 PolarHBondContact O-N 3.01Å; H154-D193 WeakPolarHBondContact CA-OD1 3.21Å; H154-D193 WeakPolarHBondContact CB-OD1 3.06Å; H154-D193 IonicContact CE1-OD2 2.81Å; H154-D193 IonicContact CG-OD1 3.98Å; H154-D193 PolarHBondContact N-OD1 2.79Å; H154-D193 IonicContact ND1-OD1 2.9Å; H154-D193 PolarHBondContact ND1-OD1 2.76Å; H154-D193 IonicContact ND1-OD2 2.81Å; H154-D193 PolarHBondContact ND1-OD2 2.86Å; H154-D193 VanDerWaalsContact ND1-OD2 3.1Å |
| 155 | K | 98.6 | Very high | 97 | Very high | 108 Ų | 108 | 49.5 Ų | 49.5 | 47% | 0.47 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 173.3 | -71.3 | 167.1 | -172.6 | 165.7 | 0 | 112.4 | D151 T152 R157 L158 I159 L257 | D151-K155 VanDerWaalsContact O-CG 3.31Å; D151-K155 WeakPolarHBondContact O-CG 3.22Å; D151-K155 PolarHBondContact O-N 3.14Å; T152-K155 PolarHBondContact O-N 3.36Å; K155-R157 VanDerWaalsContact C-N 3.33Å; K155-L158 PolarHBondContact O-N 3.1Å; K155-I159 WeakPolarHBondContact O-CG1 3.43Å; K155-I159 PolarHBondContact O-N 3.09Å; K155-L257 HydrophobicContact CB-CD1 4.1Å; K155-L257 HydrophobicContact CB-CD2 3.88Å; K155-L257 HydrophobicContact CD-CD1 4.02Å |
| 156 | I | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 173.9 | -69.4 | 164.8 | 0 | 0 | 0 | 110 | V147 T152 K153 H154 L158 I159 V160 L198 L200 L254 L257 L258 L269 | V147-I156 HydrophobicContact CB-CD1 4.45Å; V147-I156 HydrophobicContact CG1-CD1 4.22Å; V147-I156 HydrophobicContact CG2-CD1 4.13Å; T152-I156 HydrophobicContact CG2-CD1 4.19Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 3.48Å; T152-I156 PolarHBondContact O-N 3.15Å; K153-I156 WeakPolarHBondContact O-CB 3.48Å; K153-I156 PolarHBondContact O-N 3.49Å; H154-I156 VanDerWaalsContact C-N 3.33Å; H154-I156 PolarHBondContact O-N 3.07Å; I156-L158 PolarHBondContact O-N 3.32Å; I156-I159 PolarHBondContact O-N 2.8Å; I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.31Å; I156-V160 WeakPolarHBondContact O-CG2 3.23Å; I156-V160 PolarHBondContact O-N 3.03Å; I156-L198 HydrophobicContact CB-CD1 4.39Å; I156-L198 HydrophobicContact CD1-CD1 4Å; I156-L198 HydrophobicContact CG2-CD1 4.07Å; I156-L200 HydrophobicContact CD1-CD1 4.05Å; I156-L254 HydrophobicContact CB-CD2 4.12Å; I156-L254 HydrophobicContact CG1-CD2 3.92Å; I156-L254 HydrophobicContact CG2-CD2 3.84Å; I156-L257 HydrophobicContact CG1-CD2 3.65Å; I156-L258 HydrophobicContact CD1-CD2 4.35Å; I156-L269 HydrophobicContact CG2-CD1 3.9Å |
| 157 | R | 98.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -50.8 | 177.8 | -177.9 | -176.4 | 173.8 | 178.5 | 0.3 | 111.7 | K153 H154 K155 I159 V160 E161 L192 D193 | K153-R157 PolarHBondContact O-N 3.41Å; H154-R157 WeakPolarHBondContact O-CB 3.39Å; H154-R157 PolarHBondContact O-N 3.23Å; K155-R157 VanDerWaalsContact C-N 3.33Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 2.86Å; R157-V160 PolarHBondContact O-N 3.46Å; R157-V160 VanDerWaalsContact O-N 3.13Å; R157-E161 HydrophobicContact CG-CG 3.96Å; R157-E161 IonicContact CZ-OE1 2.7Å; R157-E161 IonicContact NE-OE1 2.68Å; R157-E161 PolarHBondContact NE-OE1 2.84Å; R157-E161 IonicContact NE-OE2 3.8Å; R157-E161 IonicContact NH2-OE1 3.63Å; R157-E161 PolarHBondContact NH2-OE1 2.74Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 3.22Å; R157-L192 HydrophobicContact CB-CB 3.81Å; R157-L192 HydrophobicContact CB-CD1 4.16Å; R157-L192 HydrophobicContact CG-CB 4.09Å; R157-L192 HydrophobicContact CG-CD1 4.31Å; R157-D193 WeakPolarHBondContact CD-OD2 3.13Å; R157-D193 IonicContact CZ-OD2 3.29Å; R157-D193 IonicContact NE-OD2 2.8Å; R157-D193 IonicContact NH1-OD2 3.24Å; R157-D193 PolarHBondContact NH1-OD2 3.46Å |
| 158 | L | 98.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 47% | 0.471 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.3 | -45.6 | -179.2 | -67.9 | 174.9 | 0 | 0 | 0 | 112.1 | H154 K155 I156 V160 E162 | H154-L158 WeakPolarHBondContact O-CG 3.46Å; H154-L158 PolarHBondContact O-N 3.01Å; K155-L158 PolarHBondContact O-N 3.1Å; I156-L158 PolarHBondContact O-N 3.32Å; L158-V160 PolarHBondContact O-N 3.43Å; L158-E162 WeakPolarHBondContact O-CB 3.39Å; L158-E162 PolarHBondContact O-N 2.93Å |
| 159 | I | 97.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.1 | -72.6 | 165.2 | 0 | 0 | 0 | 111.1 | K155 I156 R157 E163 C250 Q253 L254 L257 | K155-I159 WeakPolarHBondContact O-CG1 3.43Å; K155-I159 PolarHBondContact O-N 3.09Å; I156-I159 PolarHBondContact O-N 2.8Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 2.86Å; I159-E163 PolarHBondContact O-N 3.43Å; I159-C250 HydrophobicContact CG2-CB 4.22Å; I159-Q253 HydrophobicContact CD1-CB 4.31Å; I159-Q253 HydrophobicContact CG2-CB 3.93Å; I159-L254 HydrophobicContact CB-CD2 4.3Å; I159-L254 HydrophobicContact CD1-CD2 4.28Å; I159-L254 HydrophobicContact CG2-CD2 3.99Å; I159-L254 HydrophobicContact CG2-CG 4.06Å; I159-L257 HydrophobicContact CD1-CB 4.41Å; I159-L257 HydrophobicContact CD1-CD2 3.91Å |
| 160 | V | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -45.3 | -177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | I156 R157 L158 E164 K189 L192 P247 L254 L269 | I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.31Å; I156-V160 WeakPolarHBondContact O-CG2 3.23Å; I156-V160 PolarHBondContact O-N 3.03Å; R157-V160 PolarHBondContact O-N 3.46Å; R157-V160 VanDerWaalsContact O-N 3.13Å; L158-V160 PolarHBondContact O-N 3.43Å; V160-E164 HydrophobicContact CG1-CG 4.06Å; V160-E164 WeakPolarHBondContact O-CB 3.35Å; V160-E164 WeakPolarHBondContact O-CG 3.46Å; V160-E164 PolarHBondContact O-N 3.43Å; V160-K189 HydrophobicContact CG1-CG 3.9Å; V160-L192 HydrophobicContact CB-CD1 3.86Å; V160-L192 HydrophobicContact CG1-CD1 3.96Å; V160-L192 HydrophobicContact CG2-CD1 4.1Å; V160-P247 HydrophobicContact CG1-CB 4.05Å; V160-P247 HydrophobicContact CG2-CB 3.98Å; V160-P247 HydrophobicContact CG2-CG 4.42Å; V160-L254 HydrophobicContact CG2-CD1 4.23Å; V160-L269 HydrophobicContact CG2-CD1 4.33Å |
| 161 | E | 96.1 | Very high | 93.1 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 16% | 0.164 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | -179.2 | -65.5 | -169 | 158.4 | 0 | 0 | 111.6 | R157 E165 W187 I188 K189 | R157-E161 HydrophobicContact CG-CG 3.96Å; R157-E161 IonicContact CZ-OE1 2.7Å; R157-E161 IonicContact NE-OE1 2.68Å; R157-E161 PolarHBondContact NE-OE1 2.84Å; R157-E161 IonicContact NE-OE2 3.8Å; R157-E161 IonicContact NH2-OE1 3.63Å; R157-E161 PolarHBondContact NH2-OE1 2.74Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 3.22Å; E161-E165 WeakPolarHBondContact O-CB 3.49Å; E161-E165 PolarHBondContact O-N 2.98Å; E161-W187 WeakPolarHBondContact CG-O 3.42Å; E161-I188 WeakPolarHBondContact OE1-CA 3.34Å; E161-K189 HydrophobicContact CG-CB 4.26Å; E161-K189 HydrophobicContact CG-CG 4.25Å; E161-K189 PolarHBondContact OE1-N 3.16Å |
| 162 | E | 94.5 | Very high | 92.2 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -51.4 | 176.9 | -169.7 | -168.4 | 155.7 | 0 | 0 | 111.6 | R48 L158 E165 V166 | R48-E162 IonicContact CZ-OE1 3.13Å; R48-E162 VanDerWaalsContact CZ-OE1 3.29Å; R48-E162 IonicContact NH1-OE1 2.98Å; R48-E162 PolarHBondContact NH1-OE1 2.98Å; R48-E162 IonicContact NH2-OE1 2.79Å; R48-E162 PolarHBondContact NH2-OE1 3.17Å; L158-E162 WeakPolarHBondContact O-CB 3.39Å; L158-E162 PolarHBondContact O-N 2.93Å; E162-E165 PolarHBondContact O-N 3.09Å; E162-V166 PolarHBondContact O-N 3.3Å |
| 163 | E | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.2 | -34.7 | -179.8 | -73.5 | -62.7 | 147 | 0 | 0 | 112.2 | R48 W50 I159 V166 N167 R171 C250 | R48-E163 IonicContact CZ-OE1 3.39Å; R48-E163 IonicContact NH1-OE1 2.8Å; R48-E163 PolarHBondContact NH1-OE1 2.97Å; W50-E163 WeakPolarHBondContact CZ2-OE1 3.45Å; W50-E163 PolarHBondContact NE1-OE1 3.17Å; I159-E163 PolarHBondContact O-N 3.43Å; E163-V166 PolarHBondContact O-N 2.9Å; E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.12Å; E163-N167 PolarHBondContact O-ND2 3.43Å; E163-N167 PolarHBondContact O-OD1 3.1Å; E163-R171 IonicContact OE2-CZ 3.34Å; E163-R171 IonicContact OE2-NH1 2.71Å; E163-R171 PolarHBondContact OE2-NH1 3.22Å; E163-R171 IonicContact OE2-NH2 3.1Å; E163-R171 PolarHBondContact OE2-NH2 2.87Å; E163-C250 WeakPolarHBondContact CB-SG 3.49Å |
| 164 | E | 90.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 174.2 | -77.3 | -86.4 | -123.7 | 0 | 0 | 111.9 | V160 V166 N167 Y168 W187 K189 | V160-E164 HydrophobicContact CG1-CG 4.06Å; V160-E164 WeakPolarHBondContact O-CB 3.35Å; V160-E164 WeakPolarHBondContact O-CG 3.46Å; V160-E164 PolarHBondContact O-N 3.43Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.34Å; E164-N167 PolarHBondContact O-N 2.87Å; E164-Y168 WeakPolarHBondContact O-CB 3.18Å; E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.44Å; E164-Y168 PolarHBondContact O-N 2.9Å; E164-W187 HydrophobicContact CB-CB 3.81Å; E164-K189 WeakPolarHBondContact OE1-CE 3.46Å; E164-K189 IonicContact OE1-NZ 3.07Å; E164-K189 PolarHBondContact OE1-NZ 3.21Å |
| 165 | E | 92.2 | Very high | 89.9 | Confident | 69 Ų | 69 | 61 Ų | 61 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 173.7 | -178.9 | 169.8 | -164.1 | 0 | 0 | 111 | E161 E162 N167 R169 W187 | E161-E165 WeakPolarHBondContact O-CB 3.49Å; E161-E165 PolarHBondContact O-N 2.98Å; E162-E165 PolarHBondContact O-N 3.09Å; E165-N167 VanDerWaalsContact C-N 3.35Å; E165-R169 HydrophobicContact CG-CG 4.43Å; E165-R169 WeakPolarHBondContact O-CB 3.04Å; E165-R169 VanDerWaalsContact O-CG 3.27Å; E165-R169 WeakPolarHBondContact O-CG 3.32Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 IonicContact OE1-CZ 3.6Å; E165-R169 VanDerWaalsContact OE1-CZ 3.24Å; E165-R169 IonicContact OE1-NE 3.32Å; E165-R169 PolarHBondContact OE1-NE 2.77Å; E165-R169 IonicContact OE1-NH2 3.7Å; E165-R169 PolarHBondContact OE1-NH2 3.15Å; E165-W187 HydrophobicContact CB-CB 4.14Å; E165-W187 HydrophobicContact CB-CD2 4.38Å; E165-W187 HydrophobicContact CB-CG 3.98Å; E165-W187 HydrophobicContact CG-CD2 4.39Å; E165-W187 HydrophobicContact CG-CG 4.46Å |
| 166 | V | 88.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | E162 E163 E164 R169 Q170 R171 | E162-V166 PolarHBondContact O-N 3.3Å; E163-V166 PolarHBondContact O-N 2.9Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.34Å; V166-R169 PolarHBondContact O-N 2.82Å; V166-Q170 WeakPolarHBondContact O-CB 3.46Å; V166-Q170 PolarHBondContact O-N 3.19Å; V166-R171 HydrophobicContact CG1-CG 4.39Å; V166-R171 PolarHBondContact O-N 3.34Å |
| 167 | N | 85.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -60.4 | -50.6 | 178.5 | -68.8 | -24.8 | 0 | 0 | 0 | 111.3 | E163 E164 E165 R169 R171 M172 L248 N249 | E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.12Å; E163-N167 PolarHBondContact O-ND2 3.43Å; E163-N167 PolarHBondContact O-OD1 3.1Å; E164-N167 PolarHBondContact O-N 2.87Å; E165-N167 VanDerWaalsContact C-N 3.35Å; N167-R169 PolarHBondContact O-N 3.37Å; N167-R171 PolarHBondContact O-N 2.98Å; N167-R171 WeakPolarHBondContact OD1-CD 3.12Å; N167-R171 PolarHBondContact OD1-NH1 3.43Å; N167-M172 HydrophobicContact CB-CE 4.01Å; N167-M172 HydrophobicContact CB-CG 4.15Å; N167-M172 HydrophobicContact CB-SD 4.25Å; N167-M172 WeakPolarHBondContact O-CB 3.39Å; N167-M172 WeakPolarHBondContact O-CG 3.37Å; N167-M172 PolarHBondContact O-N 3.1Å; N167-L248 PolarHBondContact ND2-O 3.09Å; N167-L248 VanDerWaalsContact ND2-O 3.07Å; N167-N249 PolarHBondContact OD1-ND2 3.49Å |
| 168 | Y | 82.6 | Confident | 87.7 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -63.9 | -38.8 | 179.5 | -92 | -99.5 | 0 | 0 | 0 | 112.7 | E164 M172 T185 W187 | E164-Y168 WeakPolarHBondContact O-CB 3.18Å; E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.44Å; E164-Y168 PolarHBondContact O-N 2.9Å; Y168-M172 HydrophobicContact CD2-SD 4.18Å; Y168-M172 HydrophobicContact CE2-SD 4.32Å; Y168-T185 WeakPolarHBondContact CE1-O 3.43Å; Y168-T185 VanDerWaalsContact OH-CB 3.3Å; Y168-T185 WeakPolarHBondContact OH-CB 3.33Å; Y168-T185 PolarHBondContact OH-O 2.85Å; Y168-T185 PolarHBondContact OH-OG1 2.87Å; Y168-W187 HydrophobicContact CD1-CE3 4.43Å; Y168-W187 HydrophobicContact CG-CE3 4.13Å |
| 169 | R | 86.3 | Confident | 87 | Confident | 157 Ų | 157 | 68.1 Ų | 68.1 | 59% | 0.592 | 32% | 0.323 | S | S | * | . | I | π-helix | trans | -82.3 | -28.4 | -176.4 | -69.8 | -179 | -175.5 | -83.8 | 5.4 | 113.9 | E165 V166 N167 | E165-R169 HydrophobicContact CG-CG 4.43Å; E165-R169 WeakPolarHBondContact O-CB 3.04Å; E165-R169 VanDerWaalsContact O-CG 3.27Å; E165-R169 WeakPolarHBondContact O-CG 3.32Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 IonicContact OE1-CZ 3.6Å; E165-R169 VanDerWaalsContact OE1-CZ 3.24Å; E165-R169 IonicContact OE1-NE 3.32Å; E165-R169 PolarHBondContact OE1-NE 2.77Å; E165-R169 IonicContact OE1-NH2 3.7Å; E165-R169 PolarHBondContact OE1-NH2 3.15Å; V166-R169 PolarHBondContact O-N 2.82Å; N167-R169 PolarHBondContact O-N 3.37Å |
| 170 | Q | 84.2 | Confident | 86.5 | Confident | 139 Ų | 139 | 68.3 Ų | 68.3 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | I | π-helix | trans | -136 | -38.7 | -165.6 | -57.1 | -176.4 | 13.7 | 0 | 0 | 115 | V166 | V166-Q170 WeakPolarHBondContact O-CB 3.46Å; V166-Q170 PolarHBondContact O-N 3.19Å |
| 171 | R | 81.1 | Confident | 85.9 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 30% | 0.302 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -97.1 | -37.3 | -166.8 | -53.4 | -169.8 | -172.9 | 125.6 | -12.1 | 114.5 | E163 V166 N167 G173 N249 | E163-R171 IonicContact OE2-CZ 3.34Å; E163-R171 IonicContact OE2-NH1 2.71Å; E163-R171 PolarHBondContact OE2-NH1 3.22Å; E163-R171 IonicContact OE2-NH2 3.1Å; E163-R171 PolarHBondContact OE2-NH2 2.87Å; V166-R171 HydrophobicContact CG1-CG 4.39Å; V166-R171 PolarHBondContact O-N 3.34Å; N167-R171 PolarHBondContact O-N 2.98Å; N167-R171 WeakPolarHBondContact OD1-CD 3.12Å; N167-R171 PolarHBondContact OD1-NH1 3.43Å; R171-G173 VanDerWaalsContact C-N 3.29Å; R171-G173 PolarHBondContact O-N 3.1Å; R171-N249 WeakPolarHBondContact CD-ND2 3.43Å; R171-N249 PolarHBondContact NH1-ND2 2.71Å |
| 172 | M | 79.8 | Confident | 85.5 | Confident | 24 Ų | 24 | 78 Ų | 78 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -71.2 | -26.1 | -175.4 | -73.7 | -179.1 | 167.2 | 0 | 0 | 112.6 | N167 Y168 W176 V177 L180 | N167-M172 HydrophobicContact CB-CE 4.01Å; N167-M172 HydrophobicContact CB-CG 4.15Å; N167-M172 HydrophobicContact CB-SD 4.25Å; N167-M172 WeakPolarHBondContact O-CB 3.39Å; N167-M172 WeakPolarHBondContact O-CG 3.37Å; N167-M172 PolarHBondContact O-N 3.1Å; Y168-M172 HydrophobicContact CD2-SD 4.18Å; Y168-M172 HydrophobicContact CE2-SD 4.32Å; M172-W176 HydrophobicContact CB-CB 4.06Å; M172-W176 HydrophobicContact CB-CD2 3.96Å; M172-W176 HydrophobicContact CB-CE3 3.82Å; M172-W176 HydrophobicContact CB-CG 4.11Å; M172-W176 HydrophobicContact CE-CH2 4.32Å; M172-W176 HydrophobicContact CE-CZ2 4Å; M172-W176 HydrophobicContact CG-CD2 3.81Å; M172-W176 HydrophobicContact CG-CE3 3.65Å; M172-W176 HydrophobicContact CG-CG 4.34Å; M172-W176 HydrophobicContact CG-CH2 4.46Å; M172-W176 HydrophobicContact CG-CZ3 4Å; M172-W176 WeakPolarHBondContact O-CB 3.4Å; M172-W176 HydrophobicContact SD-CD2 4.31Å; M172-V177 HydrophobicContact CB-CG2 4.19Å; M172-L180 HydrophobicContact SD-CD1 4Å |
| 173 | G | 83.3 | Confident | 85.3 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | 68.5 | 167.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R171 K175 W176 V177 | R171-G173 VanDerWaalsContact C-N 3.29Å; R171-G173 PolarHBondContact O-N 3.1Å; G173-K175 VanDerWaalsContact C-N 3.32Å; G173-K175 PolarHBondContact O-N 2.83Å; G173-W176 PolarHBondContact O-N 2.9Å; G173-V177 WeakPolarHBondContact O-CG2 3.31Å; G173-V177 PolarHBondContact O-N 2.87Å |
| 174 | D | 81.7 | Confident | 85.2 | Confident | 149 Ų | 149 | 86.5 Ų | 86.5 | 80% | 0.797 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.9 | -38.1 | -169.9 | -63.2 | -24 | 0 | 0 | 0 | 113.4 | H178 | D174-H178 WeakPolarHBondContact O-CB 3.42Å; D174-H178 PolarHBondContact O-N 3.44Å |
| 175 | K | 83.6 | Confident | 85.1 | Confident | 165 Ų | 165 | 87.2 Ų | 87.2 | 72% | 0.717 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.1 | -50.3 | -178.6 | -177.5 | -179.2 | 176.3 | -175.5 | 0 | 111.6 | G173 H178 D179 | G173-K175 VanDerWaalsContact C-N 3.32Å; G173-K175 PolarHBondContact O-N 2.83Å; K175-H178 WeakPolarHBondContact O-CB 3.39Å; K175-H178 PolarHBondContact O-N 3.24Å; K175-D179 PolarHBondContact O-N 2.81Å |
| 176 | W | 83.4 | Confident | 85 | Confident | 117 Ų | 117 | 87.4 Ų | 87.4 | 44% | 0.443 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.2 | -40.4 | -177.7 | -170.5 | -2.7 | 0 | 0 | 0 | 110.7 | M172 G173 H178 D179 L180 L248 | M172-W176 HydrophobicContact CB-CB 4.06Å; M172-W176 HydrophobicContact CB-CD2 3.96Å; M172-W176 HydrophobicContact CB-CE3 3.82Å; M172-W176 HydrophobicContact CB-CG 4.11Å; M172-W176 HydrophobicContact CE-CH2 4.32Å; M172-W176 HydrophobicContact CE-CZ2 4Å; M172-W176 HydrophobicContact CG-CD2 3.81Å; M172-W176 HydrophobicContact CG-CE3 3.65Å; M172-W176 HydrophobicContact CG-CG 4.34Å; M172-W176 HydrophobicContact CG-CH2 4.46Å; M172-W176 HydrophobicContact CG-CZ3 4Å; M172-W176 WeakPolarHBondContact O-CB 3.4Å; M172-W176 HydrophobicContact SD-CD2 4.31Å; G173-W176 PolarHBondContact O-N 2.9Å; W176-H178 VanDerWaalsContact C-N 3.28Å; W176-H178 PolarHBondContact O-N 2.97Å; W176-D179 PolarHBondContact O-N 3.21Å; W176-L180 WeakPolarHBondContact O-CG 3.4Å; W176-L180 PolarHBondContact O-N 2.89Å; W176-L180 VanDerWaalsContact O-N 3.07Å; W176-L248 HydrophobicContact CH2-CD2 4.31Å; W176-L248 HydrophobicContact CZ3-CD2 4.49Å |
| 177 | V | 81.8 | Confident | 85.1 | Confident | 49 Ų | 49 | 90.3 Ų | 90.3 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 174 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | M172 G173 L180 A181 | M172-V177 HydrophobicContact CB-CG2 4.19Å; G173-V177 WeakPolarHBondContact O-CG2 3.31Å; G173-V177 PolarHBondContact O-N 2.87Å; V177-L180 PolarHBondContact O-N 3.47Å; V177-A181 PolarHBondContact O-N 3.27Å |
| 178 | H | 82.8 | Confident | 85.6 | Confident | 144 Ų | 144 | 94.5 Ų | 94.5 | 67% | 0.667 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 175.5 | -173 | 77.4 | 0 | 0 | 0 | 112.5 | D174 K175 W176 L180 A181 | D174-H178 WeakPolarHBondContact O-CB 3.42Å; D174-H178 PolarHBondContact O-N 3.44Å; K175-H178 WeakPolarHBondContact O-CB 3.39Å; K175-H178 PolarHBondContact O-N 3.24Å; W176-H178 VanDerWaalsContact C-N 3.28Å; W176-H178 PolarHBondContact O-N 2.97Å; H178-L180 PolarHBondContact O-N 3.41Å; H178-A181 VanDerWaalsContact O-CB 3.28Å; H178-A181 WeakPolarHBondContact O-CB 3.4Å; H178-A181 PolarHBondContact O-N 3.25Å; H178-A181 VanDerWaalsContact O-N 3.07Å |
| 179 | D | 85.2 | Confident | 86.3 | Confident | 81 Ų | 81 | 93.5 Ų | 93.5 | 43% | 0.433 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.5 | -29.4 | 178.4 | -71.8 | -25.1 | 0 | 0 | 0 | 112.7 | K175 W176 R182 | K175-D179 PolarHBondContact O-N 2.81Å; W176-D179 PolarHBondContact O-N 3.21Å; D179-R182 PolarHBondContact O-NE 3.33Å |
| 180 | L | 86.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 91.9 Ų | 91.9 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -82.2 | -19.9 | 176.5 | -66.7 | 177.2 | 0 | 0 | 0 | 113.7 | M172 W176 V177 H178 R182 L183 R184 | M172-L180 HydrophobicContact SD-CD1 4Å; W176-L180 WeakPolarHBondContact O-CG 3.4Å; W176-L180 PolarHBondContact O-N 2.89Å; W176-L180 VanDerWaalsContact O-N 3.07Å; V177-L180 PolarHBondContact O-N 3.47Å; H178-L180 PolarHBondContact O-N 3.41Å; L180-R182 PolarHBondContact O-N 2.92Å; L180-R182 VanDerWaalsContact O-N 3.15Å; L180-L183 HydrophobicContact CD2-CD1 3.93Å; L180-L183 WeakPolarHBondContact O-CA 3.3Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 3.16Å; L180-R184 PolarHBondContact O-N 2.75Å |
| 181 | A | 83.7 | Confident | 87.4 | Confident | 63 Ų | 63 | 86.3 Ų | 86.3 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.1 | -38.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V177 H178 L183 R184 | V177-A181 PolarHBondContact O-N 3.27Å; H178-A181 VanDerWaalsContact O-CB 3.28Å; H178-A181 WeakPolarHBondContact O-CB 3.4Å; H178-A181 PolarHBondContact O-N 3.25Å; H178-A181 VanDerWaalsContact O-N 3.07Å; A181-L183 PolarHBondContact O-N 2.8Å; A181-R184 PolarHBondContact O-N 3.24Å |
| 182 | R | 86.6 | Confident | 88.2 | Confident | 176 Ų | 176 | 82.5 Ų | 82.5 | 66% | 0.664 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.5 | 175.8 | 66.9 | -179 | 175.3 | 169.4 | 0.2 | 114.1 | D179 L180 | D179-R182 PolarHBondContact O-NE 3.33Å; L180-R182 PolarHBondContact O-N 2.92Å; L180-R182 VanDerWaalsContact O-N 3.15Å |
| 183 | L | 90.4 | Very high | 89.1 | Confident | 40 Ų | 40 | 83.2 Ų | 83.2 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -10.5 | 177.6 | -53.9 | -178.4 | 0 | 0 | 0 | 112.4 | L180 A181 T185 P282 L284 | L180-L183 HydrophobicContact CD2-CD1 3.93Å; L180-L183 WeakPolarHBondContact O-CA 3.3Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 3.16Å; A181-L183 PolarHBondContact O-N 2.8Å; L183-T185 HydrophobicContact CB-CG2 4.02Å; L183-T185 PolarHBondContact O-N 3.25Å; L183-P282 HydrophobicContact CD2-CG 4.2Å; L183-L284 HydrophobicContact CD2-CD1 3.94Å |
| 184 | R | 89.4 | Confident | 89.8 | Confident | 226 Ų | 226 | 83.3 Ų | 83.3 | 85% | 0.853 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 35 | -176.6 | -56.3 | -179.1 | -177 | 172.3 | 0.2 | 112.9 | L180 A181 | L180-R184 PolarHBondContact O-N 2.75Å; A181-R184 PolarHBondContact O-N 3.24Å |
| 185 | T | 88.6 | Confident | 90.6 | Very high | 29 Ų | 29 | 76.2 Ų | 76.2 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | trans | -86.7 | 142.1 | 175.5 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | R111 Y168 L183 | R111-T185 VanDerWaalsContact NE-CG2 3.26Å; Y168-T185 WeakPolarHBondContact CE1-O 3.43Å; Y168-T185 VanDerWaalsContact OH-CB 3.3Å; Y168-T185 WeakPolarHBondContact OH-CB 3.33Å; Y168-T185 PolarHBondContact OH-O 2.85Å; Y168-T185 PolarHBondContact OH-OG1 2.87Å; L183-T185 HydrophobicContact CB-CG2 4.02Å; L183-T185 PolarHBondContact O-N 3.25Å | ||
| 186 | N | 89.3 | Confident | 91.4 | Very high | 72 Ų | 72 | 69.2 Ų | 69.2 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | trans | -131 | -172 | 170.7 | 60.6 | 29 | 0 | 0 | 0 | 109.3 | I188 K189 | N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 WeakPolarHBondContact OD1-CA 3.45Å; N186-I188 WeakPolarHBondContact OD1-CB 3.26Å; N186-I188 PolarHBondContact OD1-N 2.96Å; N186-I188 PolarHBondContact OD1-O 3.44Å; N186-K189 PolarHBondContact O-NZ 3.04Å | ||
| 187 | W | 92.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -75.3 | -13.7 | 178.1 | 53.6 | 88.1 | 0 | 0 | 0 | 113.8 | E161 E164 E165 Y168 | E161-W187 WeakPolarHBondContact CG-O 3.42Å; E164-W187 HydrophobicContact CB-CB 3.81Å; E165-W187 HydrophobicContact CB-CB 4.14Å; E165-W187 HydrophobicContact CB-CD2 4.38Å; E165-W187 HydrophobicContact CB-CG 3.98Å; E165-W187 HydrophobicContact CG-CD2 4.39Å; E165-W187 HydrophobicContact CG-CG 4.46Å; Y168-W187 HydrophobicContact CD1-CE3 4.43Å; Y168-W187 HydrophobicContact CG-CE3 4.13Å |
| 188 | I | 94.9 | Very high | 92.9 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 46% | 0.456 | 30% | 0.296 | S | S | . | . | trans | -79.4 | 122.5 | 179.1 | -54.7 | 174.3 | 0 | 0 | 0 | 109.5 | E161 N186 | E161-I188 WeakPolarHBondContact OE1-CA 3.34Å; N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 WeakPolarHBondContact OD1-CA 3.45Å; N186-I188 WeakPolarHBondContact OD1-CB 3.26Å; N186-I188 PolarHBondContact OD1-N 2.96Å; N186-I188 PolarHBondContact OD1-O 3.44Å | ||
| 189 | K | 96.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | trans | -123.8 | 58.1 | -173.5 | -49.8 | -46.2 | -163.8 | -176.1 | 0 | 111.5 | V160 E161 E164 N186 Y191 L192 | V160-K189 HydrophobicContact CG1-CG 3.9Å; E161-K189 HydrophobicContact CG-CB 4.26Å; E161-K189 HydrophobicContact CG-CG 4.25Å; E161-K189 PolarHBondContact OE1-N 3.16Å; E164-K189 WeakPolarHBondContact OE1-CE 3.46Å; E164-K189 IonicContact OE1-NZ 3.07Å; E164-K189 PolarHBondContact OE1-NZ 3.21Å; N186-K189 PolarHBondContact O-NZ 3.04Å; K189-Y191 HydrophobicContact CB-CE1 4.08Å; K189-Y191 HydrophobicContact CB-CE2 4.17Å; K189-Y191 HydrophobicContact CD-CE1 4.14Å; K189-Y191 WeakPolarHBondContact CD-OH 3.18Å; K189-Y191 PolarHBondContact O-N 2.93Å; K189-Y191 VanDerWaalsContact O-N 3.09Å; K189-L192 HydrophobicContact CB-CD1 3.61Å; K189-L192 HydrophobicContact CB-CG 3.87Å; K189-L192 HydrophobicContact CG-CD1 4.26Å; K189-L192 VanDerWaalsContact O-CB 3.32Å; K189-L192 WeakPolarHBondContact O-CB 3.49Å; K189-L192 WeakPolarHBondContact O-CG 3.23Å; K189-L192 PolarHBondContact O-N 3.22Å | ||
| 190 | E | 96.9 | Very high | 94.3 | Very high | 123 Ų | 123 | 51.8 Ų | 51.8 | 58% | 0.575 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -34.7 | -178.1 | -174.8 | 177.7 | -179.6 | 0 | 0 | 113.9 | L192 D193 V194 | E190-L192 PolarHBondContact O-N 3.5Å; E190-D193 PolarHBondContact O-N 2.84Å; E190-V194 HydrophobicContact CG-CG2 3.87Å; E190-V194 PolarHBondContact O-N 3.2Å; E190-V194 VanDerWaalsContact O-N 3.16Å |
| 191 | Y | 97.4 | Very high | 94.9 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.9 | -18.8 | 176.2 | 57.5 | -105.6 | 0 | 0 | 0 | 114.2 | R111 K189 D193 A195 V243 P271 | R111-Y191 HydrophobicContact CB-CD1 4.39Å; R111-Y191 VanDerWaalsContact O-CD1 3.32Å; R111-Y191 WeakPolarHBondContact O-CD1 3.43Å; K189-Y191 HydrophobicContact CB-CE1 4.08Å; K189-Y191 HydrophobicContact CB-CE2 4.17Å; K189-Y191 HydrophobicContact CD-CE1 4.14Å; K189-Y191 WeakPolarHBondContact CD-OH 3.18Å; K189-Y191 PolarHBondContact O-N 2.93Å; K189-Y191 VanDerWaalsContact O-N 3.09Å; Y191-D193 VanDerWaalsContact C-N 3.34Å; Y191-A195 WeakPolarHBondContact O-CB 3.34Å; Y191-A195 PolarHBondContact O-N 3.37Å; Y191-V243 HydrophobicContact CE2-CG1 4.48Å; Y191-P271 HydrophobicContact CD2-CB 3.8Å; Y191-P271 HydrophobicContact CD2-CG 3.51Å; Y191-P271 HydrophobicContact CE2-CB 4.46Å; Y191-P271 HydrophobicContact CE2-CG 3.86Å; Y191-P271 HydrophobicContact CG-CG 4.35Å |
| 192 | L | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.6 | -30.5 | 175.5 | -64.9 | 179.7 | 0 | 0 | 0 | 112.5 | K153 R157 V160 K189 E190 L198 L269 | K153-L192 WeakPolarHBondContact CB-O 3.5Å; R157-L192 HydrophobicContact CB-CB 3.81Å; R157-L192 HydrophobicContact CB-CD1 4.16Å; R157-L192 HydrophobicContact CG-CB 4.09Å; R157-L192 HydrophobicContact CG-CD1 4.31Å; V160-L192 HydrophobicContact CB-CD1 3.86Å; V160-L192 HydrophobicContact CG1-CD1 3.96Å; V160-L192 HydrophobicContact CG2-CD1 4.1Å; K189-L192 HydrophobicContact CB-CD1 3.61Å; K189-L192 HydrophobicContact CB-CG 3.87Å; K189-L192 HydrophobicContact CG-CD1 4.26Å; K189-L192 VanDerWaalsContact O-CB 3.32Å; K189-L192 WeakPolarHBondContact O-CB 3.49Å; K189-L192 WeakPolarHBondContact O-CG 3.23Å; K189-L192 PolarHBondContact O-N 3.22Å; E190-L192 PolarHBondContact O-N 3.5Å; L192-L198 HydrophobicContact CD2-CD1 4.19Å; L192-L198 HydrophobicContact CD2-CD2 3.97Å; L192-L269 HydrophobicContact CD2-CD1 4.13Å; L192-L269 HydrophobicContact CD2-CD2 3.44Å; L192-L269 VanDerWaalsContact CD2-CD2 3.44Å; L192-L269 HydrophobicContact CD2-CG 4.45Å |
| 193 | D | 98.5 | Very high | 96.1 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -85.2 | -42.2 | 172 | -78 | -25.1 | 0 | 0 | 0 | 111.2 | K153 H154 R157 E190 Y191 | K153-D193 PolarHBondContact NZ-O 2.75Å; H154-D193 WeakPolarHBondContact CA-OD1 3.21Å; H154-D193 WeakPolarHBondContact CB-OD1 3.06Å; H154-D193 IonicContact CE1-OD2 2.81Å; H154-D193 IonicContact CG-OD1 3.98Å; H154-D193 PolarHBondContact N-OD1 2.79Å; H154-D193 IonicContact ND1-OD1 2.9Å; H154-D193 PolarHBondContact ND1-OD1 2.76Å; H154-D193 IonicContact ND1-OD2 2.81Å; H154-D193 PolarHBondContact ND1-OD2 2.86Å; H154-D193 VanDerWaalsContact ND1-OD2 3.1Å; R157-D193 WeakPolarHBondContact CD-OD2 3.13Å; R157-D193 IonicContact CZ-OD2 3.29Å; R157-D193 IonicContact NE-OD2 2.8Å; R157-D193 IonicContact NH1-OD2 3.24Å; R157-D193 PolarHBondContact NH1-OD2 3.46Å; E190-D193 PolarHBondContact O-N 2.84Å; Y191-D193 VanDerWaalsContact C-N 3.34Å |
| 194 | V | 98.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 24% | 0.242 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.2 | -41.6 | -169.9 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | I113 P115 E190 | I113-V194 WeakPolarHBondContact O-CG1 3.47Å; P115-V194 WeakPolarHBondContact CA-O 3.37Å; P115-V194 HydrophobicContact CB-CG1 4.04Å; P115-V194 HydrophobicContact CG-CG1 4.36Å; E190-V194 HydrophobicContact CG-CG2 3.87Å; E190-V194 PolarHBondContact O-N 3.2Å; E190-V194 VanDerWaalsContact O-N 3.16Å |
| 195 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -60.3 | 135.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I113 K153 Y191 Y197 L198 P271 | I113-A195 HydrophobicContact CB-CB 4.28Å; I113-A195 HydrophobicContact CD1-CB 4.14Å; I113-A195 HydrophobicContact CG2-CB 3.74Å; K153-A195 PolarHBondContact NZ-O 3.36Å; Y191-A195 WeakPolarHBondContact O-CB 3.34Å; Y191-A195 PolarHBondContact O-N 3.37Å; A195-Y197 PolarHBondContact O-N 3.04Å; A195-L198 HydrophobicContact CB-CD2 4.36Å; A195-P271 HydrophobicContact CB-CB 3.83Å |
| 196 | P | 98.6 | Very high | 96.9 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 11% | 0.11 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -62.7 | -29.5 | -177.8 | 24.3 | -34.9 | 0 | 0 | 0 | 112.7 | S114 V118 V272 | S114-P196 WeakPolarHBondContact O-CD 3.25Å; V118-P196 HydrophobicContact CB-CG 4.47Å; V118-P196 HydrophobicContact CG2-CG 3.92Å; P196-V272 VanDerWaalsContact CD-O 3.24Å; P196-V272 WeakPolarHBondContact CD-O 3.39Å; P196-V272 VanDerWaalsContact CG-O 3.31Å; P196-V272 WeakPolarHBondContact CG-O 3.33Å |
| 197 | Y | 98.9 | Very high | 96.9 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.3 | 174.8 | -64.4 | -83.8 | 0 | 0 | 0 | 111.9 | V118 I123 V146 V147 A195 V272 | V118-Y197 HydrophobicContact CB-CD2 4.26Å; V118-Y197 HydrophobicContact CB-CE2 3.99Å; V118-Y197 WeakPolarHBondContact O-CE2 3.39Å; V118-Y197 PolarHBondContact O-OH 3.16Å; I123-Y197 HydrophobicContact CD1-CD2 3.89Å; I123-Y197 HydrophobicContact CD1-CE2 4.32Å; I123-Y197 HydrophobicContact CD1-CG 4.32Å; I123-Y197 HydrophobicContact CG1-CD1 4.44Å; I123-Y197 HydrophobicContact CG1-CD2 3.68Å; I123-Y197 HydrophobicContact CG1-CE1 4.44Å; I123-Y197 HydrophobicContact CG1-CE2 3.69Å; I123-Y197 HydrophobicContact CG1-CG 4.07Å; V146-Y197 HydrophobicContact CG1-CD1 3.59Å; V146-Y197 HydrophobicContact CG1-CE1 4.17Å; V146-Y197 HydrophobicContact CG1-CG 4.48Å; V147-Y197 CarbonylContact O-C 3.5Å; V147-Y197 WeakPolarHBondContact O-CA 3.5Å; A195-Y197 PolarHBondContact O-N 3.04Å; Y197-V272 PolarHBondContact N-O 3.49Å; Y197-V272 PolarHBondContact O-N 2.97Å |
| 198 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.8 | 157.6 | -50.5 | -177.9 | 0 | 0 | 0 | 108.3 | V146 V147 K153 I156 L192 A195 L200 L270 P271 | V146-L198 WeakPolarHBondContact CA-O 3.43Å; V147-L198 HydrophobicContact CB-CB 4.32Å; V147-L198 PolarHBondContact N-O 3.35Å; V147-L198 PolarHBondContact O-N 3.45Å; K153-L198 HydrophobicContact CB-CD1 4.17Å; K153-L198 HydrophobicContact CD-CD1 4.22Å; K153-L198 HydrophobicContact CD-CG 3.88Å; K153-L198 HydrophobicContact CG-CD1 3.75Å; K153-L198 HydrophobicContact CG-CG 3.89Å; I156-L198 HydrophobicContact CB-CD1 4.39Å; I156-L198 HydrophobicContact CD1-CD1 4Å; I156-L198 HydrophobicContact CG2-CD1 4.07Å; L192-L198 HydrophobicContact CD2-CD1 4.19Å; L192-L198 HydrophobicContact CD2-CD2 3.97Å; A195-L198 HydrophobicContact CB-CD2 4.36Å; L198-L200 HydrophobicContact CB-CD1 4.08Å; L198-L270 WeakPolarHBondContact CA-O 3.2Å; L198-P271 HydrophobicContact CD2-CB 3.76Å |
| 199 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 110.1 | 170.6 | -51.7 | 179.9 | 0 | 0 | 0 | 107.3 | I123 I127 F144 V145 I201 L231 L270 V272 | I123-I199 HydrophobicContact CG2-CD1 4.3Å; I127-I199 HydrophobicContact CD1-CD1 4.33Å; I127-I199 HydrophobicContact CG1-CD1 4.44Å; F144-I199 HydrophobicContact CB-CG2 4.34Å; F144-I199 HydrophobicContact CD1-CG2 4.16Å; V145-I199 WeakPolarHBondContact O-CA 3.4Å; I199-I201 HydrophobicContact CG2-CD1 4.14Å; I199-I201 HydrophobicContact CG2-CG1 4.18Å; I199-L231 HydrophobicContact CG2-CD2 4.36Å; I199-L270 HydrophobicContact CB-CB 4.34Å; I199-L270 PolarHBondContact N-O 2.93Å; I199-L270 PolarHBondContact O-N 2.99Å; I199-V272 HydrophobicContact CD1-CG2 3.83Å; I199-V272 HydrophobicContact CG1-CG2 4.06Å |
| 200 | L | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.4 | 173.2 | -62.6 | 93.3 | 0 | 0 | 0 | 108.3 | V145 V147 I156 L198 F202 L254 L258 L266 L269 | V145-L200 HydrophobicContact CB-CB 4.29Å; V145-L200 PolarHBondContact N-O 3.48Å; V145-L200 PolarHBondContact O-N 3.29Å; V147-L200 HydrophobicContact CG2-CD1 3.79Å; I156-L200 HydrophobicContact CD1-CD1 4.05Å; L198-L200 HydrophobicContact CB-CD1 4.08Å; L200-F202 HydrophobicContact CB-CD2 4.31Å; L200-F202 HydrophobicContact CB-CE2 3.77Å; L200-L254 HydrophobicContact CD2-CD1 4.29Å; L200-L258 HydrophobicContact CB-CD1 4.41Å; L200-L258 HydrophobicContact CD1-CD1 4.04Å; L200-L258 HydrophobicContact CD2-CD1 3.68Å; L200-L258 HydrophobicContact CG-CD1 4.25Å; L200-L266 HydrophobicContact CB-CD1 3.88Å; L200-L266 HydrophobicContact CD2-CD1 4.06Å; L200-L266 HydrophobicContact CG-CD1 4.43Å; L200-L269 HydrophobicContact CD2-CD1 4.05Å; L200-L269 HydrophobicContact CD2-CG 4.31Å; L200-L269 HydrophobicContact CG-CD1 4.36Å; L200-L269 HydrophobicContact CG-CG 4.1Å |
| 201 | I | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.1 | -178.9 | -53.6 | 95 | 0 | 0 | 0 | 108.2 | F144 I199 V224 L231 L267 M268 L270 | F144-I201 HydrophobicContact CD1-CB 4.47Å; F144-I201 HydrophobicContact CD1-CG1 3.65Å; F144-I201 HydrophobicContact CD1-CG2 4.19Å; F144-I201 HydrophobicContact CE1-CG1 3.78Å; F144-I201 HydrophobicContact CE1-CG2 3.91Å; F144-I201 HydrophobicContact CZ-CG2 4.48Å; I199-I201 HydrophobicContact CG2-CD1 4.14Å; I199-I201 HydrophobicContact CG2-CG1 4.18Å; I201-V224 HydrophobicContact CG2-CG1 3.48Å; I201-V224 VanDerWaalsContact CG2-CG1 3.48Å; I201-L231 HydrophobicContact CD1-CD2 4.34Å; I201-L231 HydrophobicContact CG1-CD2 4.41Å; I201-L267 PolarHBondContact O-N 3.13Å; I201-M268 HydrophobicContact CD1-CB 3.91Å; I201-M268 PolarHBondContact N-O 2.83Å; I201-M268 PolarHBondContact O-N 2.99Å; I201-L270 HydrophobicContact CD1-CD1 3.7Å; I201-L270 HydrophobicContact CD1-CG 3.64Å |
| 202 | F | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.2 | 174.5 | -73.5 | -102.4 | 0 | 0 | 0 | 109.9 | W142 T143 V145 L200 R255 L258 R260 E264 K265 L266 | W142-F202 WeakPolarHBondContact CA-O 3.42Å; T143-F202 PolarHBondContact N-O 2.93Å; T143-F202 PolarHBondContact O-N 3.49Å; V145-F202 HydrophobicContact CB-CE2 4.47Å; V145-F202 HydrophobicContact CG2-CD2 3.81Å; V145-F202 HydrophobicContact CG2-CE2 3.92Å; L200-F202 HydrophobicContact CB-CD2 4.31Å; L200-F202 HydrophobicContact CB-CE2 3.77Å; F202-R255 HydrophobicContact CE1-CB 4Å; F202-R255 HydrophobicContact CE1-CG 4.2Å; F202-L258 HydrophobicContact CE2-CD1 4.14Å; F202-L258 HydrophobicContact CZ-CD1 4.27Å; F202-R260 HydrophobicContact CD2-CG 4.45Å; F202-R260 HydrophobicContact CE1-CB 4.36Å; F202-R260 HydrophobicContact CE1-CG 4.24Å; F202-R260 HydrophobicContact CE2-CG 4.14Å; F202-R260 HydrophobicContact CZ-CG 4.04Å; F202-E264 HydrophobicContact CB-CB 4.06Å; F202-E264 HydrophobicContact CB-CG 4.28Å; F202-E264 HydrophobicContact CD1-CB 3.92Å; F202-E264 HydrophobicContact CG-CB 4.33Å; F202-K265 CarbonylContact C-O 3.58Å; F202-K265 VanDerWaalsContact CA-O 3.23Å; F202-K265 WeakPolarHBondContact CA-O 3.43Å; F202-K265 VanDerWaalsContact CD1-C 3.43Å; F202-L266 HydrophobicContact CD1-CB 4.23Å; F202-L266 HydrophobicContact CD2-CD1 4.28Å; F202-L266 HydrophobicContact CE1-CB 3.86Å; F202-L266 HydrophobicContact CE2-CD1 3.93Å; F202-L266 HydrophobicContact CZ-CB 4.15Å; F202-L266 HydrophobicContact CZ-CD1 4.06Å |
| 203 | K | 97.6 | Very high | 94 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 134.7 | 163.7 | 66.6 | 176.3 | -175.1 | 173.1 | 0 | 109.2 | E221 V224 E264 K265 | K203-E221 HydrophobicContact CD-CB 3.99Å; K203-E221 HydrophobicContact CD-CG 4.39Å; K203-E221 IonicContact NZ-OE2 2.74Å; K203-E221 PolarHBondContact NZ-OE2 3.11Å; K203-V224 HydrophobicContact CB-CB 4.23Å; K203-V224 HydrophobicContact CB-CG1 4.47Å; K203-V224 HydrophobicContact CB-CG2 3.73Å; K203-E264 WeakPolarHBondContact O-CA 3.39Å; K203-K265 HydrophobicContact CG-CB 4.15Å; K203-K265 PolarHBondContact N-O 3.49Å; K203-K265 PolarHBondContact O-N 3.28Å |
| 204 | Q | 97.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 110.1 | 170.7 | -65.6 | 172.9 | -0.8 | 0 | 0 | 107.9 | P141 T143 Y206 H217 N263 E264 | P141-Q204 HydrophobicContact CB-CB 4.26Å; P141-Q204 PolarHBondContact O-N 3.44Å; T143-Q204 PolarHBondContact OG1-NE2 3.3Å; Q204-Y206 PolarHBondContact O-N 2.81Å; Q204-H217 WeakPolarHBondContact CB-ND1 3.25Å; Q204-H217 PolarHBondContact O-ND1 2.91Å; Q204-H217 PolarHBondContact OE1-CE1 2.91Å; Q204-H217 VanDerWaalsContact OE1-CE1 3.29Å; Q204-N263 CarbonylContact C-O 3.51Å; Q204-N263 WeakPolarHBondContact CA-O 3.41Å; Q204-E264 HydrophobicContact CG-CG 3.73Å |
| 205 | T | 94.4 | Very high | 93 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -68.2 | -27.9 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 112 | N220 N263 K265 | T205-N220 PolarHBondContact O-ND2 3.17Å; T205-N263 PolarHBondContact N-O 3.35Å; T205-N263 PolarHBondContact OG1-O 3.11Å; T205-K265 HydrophobicContact CG2-CD 3.83Å; T205-K265 HydrophobicContact CG2-CG 4.01Å |
| 206 | Y | 92.3 | Very high | 92.5 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 157.2 | 168.5 | 55.2 | -88.5 | 0 | 0 | 0 | 109.5 | Q204 K214 K215 N263 | Q204-Y206 PolarHBondContact O-N 2.81Å; Y206-K214 HydrophobicContact CD2-CB 4.29Å; Y206-K214 HydrophobicContact CD2-CD 4.01Å; Y206-K214 HydrophobicContact CD2-CG 3.81Å; Y206-K214 HydrophobicContact CE2-CD 4.15Å; Y206-K214 HydrophobicContact CE2-CG 4.07Å; Y206-K214 HydrophobicContact CG-CD 4.31Å; Y206-K214 HydrophobicContact CG-CG 4.47Å; Y206-K215 CarbonylContact C-O 3.55Å; Y206-K215 WeakPolarHBondContact CA-O 3.4Å; Y206-K215 WeakPolarHBondContact CB-O 3.48Å; Y206-N263 HydrophobicContact CD1-CB 3.99Å; Y206-N263 HydrophobicContact CD2-CB 3.76Å; Y206-N263 HydrophobicContact CE1-CB 3.61Å; Y206-N263 HydrophobicContact CE2-CB 3.38Å; Y206-N263 HydrophobicContact CG-CB 4.05Å; Y206-N263 PolarHBondContact O-ND2 2.89Å |
| 207 | G | 91.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 173.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K214 K215 H217 | G207-K214 CarbonylContact O-C 3.6Å; G207-K214 WeakPolarHBondContact O-CA 3.44Å; G207-K215 PolarHBondContact N-O 3.47Å; G207-K215 PolarHBondContact O-N 3.48Å; G207-H217 VanDerWaalsContact CA-CE1 3.5Å; G207-H217 WeakPolarHBondContact CA-CE1 3.45Å; G207-H217 WeakPolarHBondContact CA-NE2 3.32Å; G207-H217 PolarHBondContact N-CE1 2.94Å; G207-H217 VanDerWaalsContact N-CE1 3.25Å; G207-H217 PolarHBondContact N-NE2 3.09Å |
| 208 | I | 88.7 | Confident | 91.8 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 56% | 0.559 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.6 | 175.6 | -57.2 | 176.1 | 0 | 0 | 0 | 107.3 | ||
| 209 | L | 85.7 | Confident | 91.6 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | trans | -72.9 | 162.2 | 176.1 | -66.8 | 176.2 | 0 | 0 | 0 | 110.8 | V70 N211 G212 K213 K215 | V70-L209 HydrophobicContact CB-CD1 3.99Å; V70-L209 HydrophobicContact CG1-CD1 3.79Å; L209-N211 VanDerWaalsContact CB-OD1 3.3Å; L209-N211 WeakPolarHBondContact CB-OD1 3.36Å; L209-N211 PolarHBondContact O-N 3.48Å; L209-G212 WeakPolarHBondContact O-CA 3.32Å; L209-G212 PolarHBondContact O-N 3.33Å; L209-K213 PolarHBondContact N-O 3.25Å; L209-K215 HydrophobicContact CD2-CB 4.02Å; L209-K215 HydrophobicContact CD2-CD 4.02Å; L209-K215 HydrophobicContact CD2-CG 4.31Å; L209-K215 HydrophobicContact CG-CB 4.07Å | ||
| 210 | P | 84.8 | Confident | 91.3 | Very high | 122 Ų | 122 | 54.5 Ų | 54.5 | 79% | 0.792 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27.3 | 176.9 | -27.3 | 35.6 | 0 | 0 | 0 | 114.4 | G212 | P210-G212 PolarHBondContact O-N 3.09Š|
| 211 | N | 84.3 | Confident | 91.2 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 3.5 | 176 | 64.7 | 18 | 0 | 0 | 0 | 114.1 | L209 K213 | L209-N211 VanDerWaalsContact CB-OD1 3.3Å; L209-N211 WeakPolarHBondContact CB-OD1 3.36Å; L209-N211 PolarHBondContact O-N 3.48Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 2.88Å; N211-K213 VanDerWaalsContact OD1-CB 3.25Å; N211-K213 WeakPolarHBondContact OD1-CB 3.08Å; N211-K213 WeakPolarHBondContact OD1-CG 3.3Å; N211-K213 PolarHBondContact OD1-N 2.64Å |
| 212 | G | 85.4 | Confident | 91.2 | Very high | 55 Ų | 55 | 63 Ų | 63 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 81.8 | -2.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | L209 P210 | L209-G212 WeakPolarHBondContact O-CA 3.32Å; L209-G212 PolarHBondContact O-N 3.33Å; P210-G212 PolarHBondContact O-N 3.09Å |
| 213 | K | 85.6 | Confident | 91.2 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 153.2 | -179.8 | -58.2 | 169.6 | 99.8 | -175.3 | 0 | 110.1 | V70 L209 N211 | V70-K213 HydrophobicContact CB-CD 4.5Å; V70-K213 HydrophobicContact CG2-CB 3.78Å; V70-K213 HydrophobicContact CG2-CD 3.33Å; V70-K213 HydrophobicContact CG2-CG 4.06Å; V70-K213 VanDerWaalsContact CG2-NZ 3.31Å; L209-K213 PolarHBondContact N-O 3.25Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 2.88Å; N211-K213 VanDerWaalsContact OD1-CB 3.25Å; N211-K213 WeakPolarHBondContact OD1-CB 3.08Å; N211-K213 WeakPolarHBondContact OD1-CG 3.3Å; N211-K213 PolarHBondContact OD1-N 2.64Å |
| 214 | K | 87.8 | Confident | 91.2 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.5 | -178.3 | -66.1 | 179.6 | -177.1 | 166.2 | 0 | 110.5 | Y206 G207 | Y206-K214 HydrophobicContact CD2-CB 4.29Å; Y206-K214 HydrophobicContact CD2-CD 4.01Å; Y206-K214 HydrophobicContact CD2-CG 3.81Å; Y206-K214 HydrophobicContact CE2-CD 4.15Å; Y206-K214 HydrophobicContact CE2-CG 4.07Å; Y206-K214 HydrophobicContact CG-CD 4.31Å; Y206-K214 HydrophobicContact CG-CG 4.47Å; G207-K214 CarbonylContact O-C 3.6Å; G207-K214 WeakPolarHBondContact O-CA 3.44Å |
| 215 | K | 87.6 | Confident | 91.3 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.1 | 167 | -176.1 | 178.1 | -176.9 | 174.4 | 0 | 108.1 | E75 Y206 G207 L209 | E75-K215 IonicContact OE1-NZ 2.72Å; Y206-K215 CarbonylContact C-O 3.55Å; Y206-K215 WeakPolarHBondContact CA-O 3.4Å; Y206-K215 WeakPolarHBondContact CB-O 3.48Å; G207-K215 PolarHBondContact N-O 3.47Å; G207-K215 PolarHBondContact O-N 3.48Å; L209-K215 HydrophobicContact CD2-CB 4.02Å; L209-K215 HydrophobicContact CD2-CD 4.02Å; L209-K215 HydrophobicContact CD2-CG 4.31Å; L209-K215 HydrophobicContact CG-CB 4.07Å |
| 216 | T | 90.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 23% | 0.233 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 137.1 | 178.8 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | W69 T139 Y218 | W69-T216 HydrophobicContact CH2-CG2 3.49Å; W69-T216 VanDerWaalsContact CH2-CG2 3.49Å; W69-T216 WeakPolarHBondContact CH2-OG1 3.35Å; W69-T216 HydrophobicContact CZ3-CG2 3.57Å; W69-T216 WeakPolarHBondContact CZ3-OG1 3.47Å; T139-T216 WeakPolarHBondContact CG2-O 3.43Å; T216-Y218 HydrophobicContact CG2-CD1 3.88Å; T216-Y218 HydrophobicContact CG2-CD2 4.43Å; T216-Y218 HydrophobicContact CG2-CE1 3.68Å; T216-Y218 HydrophobicContact CG2-CE2 4.26Å; T216-Y218 HydrophobicContact CG2-CG 4.27Å |
| 217 | H | 92.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | trans | -107.6 | 95.3 | 172.9 | -65.9 | 175.3 | 0 | 0 | 0 | 110.4 | P141 Q204 G207 N220 | P141-H217 HydrophobicContact CB-CB 3.83Å; P141-H217 VanDerWaalsContact CB-ND1 3.25Å; P141-H217 WeakPolarHBondContact CB-ND1 3.39Å; Q204-H217 WeakPolarHBondContact CB-ND1 3.25Å; Q204-H217 PolarHBondContact O-ND1 2.91Å; Q204-H217 PolarHBondContact OE1-CE1 2.91Å; Q204-H217 VanDerWaalsContact OE1-CE1 3.29Å; G207-H217 VanDerWaalsContact CA-CE1 3.5Å; G207-H217 WeakPolarHBondContact CA-CE1 3.45Å; G207-H217 WeakPolarHBondContact CA-NE2 3.32Å; G207-H217 PolarHBondContact N-CE1 2.94Å; G207-H217 VanDerWaalsContact N-CE1 3.25Å; G207-H217 PolarHBondContact N-NE2 3.09Å; H217-N220 HydrophobicContact CB-CB 3.9Å; H217-N220 PolarHBondContact O-ND2 2.81Å; H217-N220 VanDerWaalsContact O-ND2 3.1Å | ||
| 218 | Y | 88.9 | Confident | 92.1 | Very high | 90 Ų | 90 | 62 Ų | 62 | 35% | 0.353 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 133.2 | -179.9 | -54.2 | -80.4 | 0 | 0 | 0 | 111.3 | I61 W69 A137 T216 N220 | I61-Y218 HydrophobicContact CD1-CD1 4.07Å; I61-Y218 HydrophobicContact CD1-CE1 4.22Å; W69-Y218 HydrophobicContact CH2-CE1 4.47Å; W69-Y218 HydrophobicContact CZ3-CE1 4.26Å; W69-Y218 WeakPolarHBondContact CZ3-OH 3.31Å; A137-Y218 HydrophobicContact CB-CD2 3.78Å; A137-Y218 HydrophobicContact CB-CE2 4.13Å; T216-Y218 HydrophobicContact CG2-CD1 3.88Å; T216-Y218 HydrophobicContact CG2-CD2 4.43Å; T216-Y218 HydrophobicContact CG2-CE1 3.68Å; T216-Y218 HydrophobicContact CG2-CE2 4.26Å; T216-Y218 HydrophobicContact CG2-CG 4.27Å; Y218-N220 PolarHBondContact O-N 3.15Å; Y218-N220 VanDerWaalsContact O-N 3.16Å |
| 219 | Y | 94.3 | Very high | 92.6 | Very high | 175 Ų | 175 | 58.7 Ų | 58.7 | 69% | 0.686 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 39.6 | 178.7 | -53.5 | -75.1 | 0 | 0 | 0 | 112.8 | E221 I222 S223 | Y219-E221 VanDerWaalsContact C-N 3.33Å; Y219-E221 PolarHBondContact O-N 3.41Å; Y219-I222 HydrophobicContact CD1-CD1 4.12Å; Y219-I222 PolarHBondContact O-N 3.1Å; Y219-S223 WeakPolarHBondContact O-CB 3.29Å; Y219-S223 PolarHBondContact O-N 3.15Å; Y219-S223 PolarHBondContact O-OG 2.93Å |
| 220 | N | 94.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 60.3 Ų | 60.3 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.1 | -44.7 | -173.9 | 55.7 | 59.1 | 0 | 0 | 0 | 112.5 | P141 T205 H217 Y218 I222 S223 V224 | P141-N220 HydrophobicContact CB-CB 4Å; P141-N220 HydrophobicContact CG-CB 3.92Å; T205-N220 PolarHBondContact O-ND2 3.17Å; H217-N220 HydrophobicContact CB-CB 3.9Å; H217-N220 PolarHBondContact O-ND2 2.81Å; H217-N220 VanDerWaalsContact O-ND2 3.1Å; Y218-N220 PolarHBondContact O-N 3.15Å; Y218-N220 VanDerWaalsContact O-N 3.16Å; N220-I222 PolarHBondContact O-N 2.85Å; N220-S223 PolarHBondContact O-N 3.18Å; N220-V224 WeakPolarHBondContact O-CG2 3.38Å; N220-V224 PolarHBondContact O-N 3.37Å |
| 221 | E | 96.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 54.5 Ų | 54.5 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | -180 | -178.6 | 165.8 | 121.3 | 0 | 0 | 112.7 | K203 Y219 S225 L267 | K203-E221 HydrophobicContact CD-CB 3.99Å; K203-E221 HydrophobicContact CD-CG 4.39Å; K203-E221 IonicContact NZ-OE2 2.74Å; K203-E221 PolarHBondContact NZ-OE2 3.11Å; Y219-E221 VanDerWaalsContact C-N 3.33Å; Y219-E221 PolarHBondContact O-N 3.41Å; E221-S225 VanDerWaalsContact O-CB 3.26Å; E221-S225 WeakPolarHBondContact O-CB 3.32Å; E221-S225 PolarHBondContact O-N 3.21Å; E221-S225 PolarHBondContact O-OG 3.07Å; E221-L267 HydrophobicContact CG-CD1 3.96Å |
| 222 | I | 97.6 | Very high | 94.6 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 52% | 0.518 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 176.4 | -65 | 170.8 | 0 | 0 | 0 | 109.7 | Y219 N220 V224 S225 I226 | Y219-I222 HydrophobicContact CD1-CD1 4.12Å; Y219-I222 PolarHBondContact O-N 3.1Å; N220-I222 PolarHBondContact O-N 2.85Å; I222-V224 PolarHBondContact O-N 2.87Å; I222-S225 PolarHBondContact O-N 3.45Å; I222-I226 HydrophobicContact CG2-CD1 3.96Å; I222-I226 WeakPolarHBondContact O-CG1 3.24Å; I222-I226 PolarHBondContact O-N 3.2Å |
| 223 | S | 98.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 179.6 | -57 | 0 | 0 | 0 | 0 | 111.3 | G136 Y219 N220 S225 I226 S227 | G136-S223 PolarHBondContact N-OG 3.24Å; Y219-S223 WeakPolarHBondContact O-CB 3.29Å; Y219-S223 PolarHBondContact O-N 3.15Å; Y219-S223 PolarHBondContact O-OG 2.93Å; N220-S223 PolarHBondContact O-N 3.18Å; S223-S225 PolarHBondContact O-N 3.07Å; S223-I226 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-N 3.24Å; S223-S227 VanDerWaalsContact O-N 3.09Å |
| 224 | V | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -36 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | P141 W142 I201 K203 N220 I222 I226 S227 C228 L267 | P141-V224 HydrophobicContact CG-CG2 4.13Å; P141-V224 WeakPolarHBondContact O-CG2 3.27Å; W142-V224 HydrophobicContact CB-CG1 4.27Å; W142-V224 HydrophobicContact CB-CG2 4Å; W142-V224 HydrophobicContact CE3-CG2 4.29Å; I201-V224 HydrophobicContact CG2-CG1 3.48Å; I201-V224 VanDerWaalsContact CG2-CG1 3.48Å; K203-V224 HydrophobicContact CB-CB 4.23Å; K203-V224 HydrophobicContact CB-CG1 4.47Å; K203-V224 HydrophobicContact CB-CG2 3.73Å; N220-V224 WeakPolarHBondContact O-CG2 3.38Å; N220-V224 PolarHBondContact O-N 3.37Å; I222-V224 PolarHBondContact O-N 2.87Å; V224-I226 PolarHBondContact O-N 2.9Å; V224-S227 WeakPolarHBondContact O-CB 3.46Å; V224-S227 PolarHBondContact O-N 3.07Å; V224-C228 PolarHBondContact O-N 3.28Å; V224-C228 PolarHBondContact O-SG 3.12Å; V224-C228 VanDerWaalsContact O-SG 3.37Å; V224-L267 HydrophobicContact CB-CD2 3.77Å; V224-L267 HydrophobicContact CG1-CD2 3.49Å; V224-L267 VanDerWaalsContact CG1-CD2 3.49Å |
| 225 | S | 98.5 | Very high | 96.4 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 32% | 0.315 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 175.9 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | E221 I222 S223 C228 G229 | E221-S225 VanDerWaalsContact O-CB 3.26Å; E221-S225 WeakPolarHBondContact O-CB 3.32Å; E221-S225 PolarHBondContact O-N 3.21Å; E221-S225 PolarHBondContact O-OG 3.07Å; I222-S225 PolarHBondContact O-N 3.45Å; S223-S225 PolarHBondContact O-N 3.07Å; S225-C228 WeakPolarHBondContact O-CB 2.97Å; S225-C228 PolarHBondContact O-N 3.33Å; S225-G229 PolarHBondContact O-N 3.2Å |
| 226 | I | 98.8 | Very high | 97 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 172.4 | -67.9 | 165.4 | 0 | 0 | 0 | 109.9 | A133 P134 I222 S223 V224 C228 G229 I230 | A133-I226 HydrophobicContact CB-CG2 4.36Å; P134-I226 HydrophobicContact CG-CG2 4.05Å; I222-I226 HydrophobicContact CG2-CD1 3.96Å; I222-I226 WeakPolarHBondContact O-CG1 3.24Å; I222-I226 PolarHBondContact O-N 3.2Å; S223-I226 PolarHBondContact O-N 3.26Å; V224-I226 PolarHBondContact O-N 2.9Å; I226-C228 VanDerWaalsContact C-N 3.33Å; I226-C228 PolarHBondContact O-N 3.46Å; I226-G229 WeakPolarHBondContact O-CA 3.16Å; I226-G229 PolarHBondContact O-N 3.38Å; I226-I230 PolarHBondContact O-N 2.72Å |
| 227 | S | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | A130 F144 S223 V224 G229 I230 L231 | A130-S227 VanDerWaalsContact C-OG 3.28Å; A130-S227 PolarHBondContact O-OG 2.82Å; F144-S227 WeakPolarHBondContact CZ-OG 3.16Å; S223-S227 PolarHBondContact O-N 3.24Å; S223-S227 VanDerWaalsContact O-N 3.09Å; V224-S227 WeakPolarHBondContact O-CB 3.46Å; V224-S227 PolarHBondContact O-N 3.07Å; S227-G229 VanDerWaalsContact C-N 3.32Å; S227-G229 PolarHBondContact O-N 3.39Å; S227-I230 PolarHBondContact O-N 2.72Å; S227-L231 PolarHBondContact O-N 2.58Å |
| 228 | C | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 171.2 | -71.5 | 0 | 0 | 0 | 0 | 112.6 | V224 S225 I226 I230 L231 L232 M268 | V224-C228 PolarHBondContact O-N 3.28Å; V224-C228 PolarHBondContact O-SG 3.12Å; V224-C228 VanDerWaalsContact O-SG 3.37Å; S225-C228 WeakPolarHBondContact O-CB 2.97Å; S225-C228 PolarHBondContact O-N 3.33Å; I226-C228 VanDerWaalsContact C-N 3.33Å; I226-C228 PolarHBondContact O-N 3.46Å; C228-I230 VanDerWaalsContact C-N 3.35Å; C228-L231 WeakPolarHBondContact O-CB 2.76Å; C228-L231 PolarHBondContact O-N 3.1Å; C228-L232 VanDerWaalsContact O-CG 3.27Å; C228-L232 WeakPolarHBondContact O-CG 2.94Å; C228-L232 PolarHBondContact O-N 3.4Å; C228-M268 HydrophobicContact CB-CE 3.87Å; C228-M268 HydrophobicContact CB-SD 3.6Å; C228-M268 VanDerWaalsContact CB-SD 3.6Å |
| 229 | G | 98.8 | Very high | 98.2 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S225 I226 S227 L232 A233 | S225-G229 PolarHBondContact O-N 3.2Å; I226-G229 WeakPolarHBondContact O-CA 3.16Å; I226-G229 PolarHBondContact O-N 3.38Å; S227-G229 VanDerWaalsContact C-N 3.32Å; S227-G229 PolarHBondContact O-N 3.39Å; G229-L232 PolarHBondContact O-N 3.14Å; G229-A233 PolarHBondContact O-N 2.77Å; G229-A233 VanDerWaalsContact O-N 3.09Å |
| 230 | I | 98.9 | Very high | 98.4 | Very high | 46 Ų | 46 | 33.7 Ų | 33.7 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 175.2 | -63.9 | 173.4 | 0 | 0 | 0 | 110.8 | T129 A133 I226 S227 C228 L232 A233 S234 | T129-I230 HydrophobicContact CG2-CG2 3.81Å; T129-I230 VanDerWaalsContact O-CG2 3.28Å; T129-I230 WeakPolarHBondContact O-CG2 3.46Å; A133-I230 HydrophobicContact CB-CD1 3.83Å; I226-I230 PolarHBondContact O-N 2.72Å; S227-I230 PolarHBondContact O-N 2.72Å; C228-I230 VanDerWaalsContact C-N 3.35Å; I230-L232 VanDerWaalsContact C-N 3.34Å; I230-L232 PolarHBondContact O-N 3.05Å; I230-A233 PolarHBondContact O-N 3.43Å; I230-S234 WeakPolarHBondContact O-CB 3.5Å; I230-S234 PolarHBondContact O-N 2.81Å |
| 231 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 174.9 | -177 | 56.7 | 0 | 0 | 0 | 111.6 | V126 I127 A130 F144 I199 I201 S227 C228 A233 S234 L235 L270 | V126-L231 HydrophobicContact CB-CD1 4.02Å; V126-L231 HydrophobicContact CG2-CD1 3.85Å; I127-L231 HydrophobicContact CG1-CD1 4.43Å; A130-L231 HydrophobicContact CB-CB 3.75Å; A130-L231 HydrophobicContact CB-CD1 4.23Å; A130-L231 HydrophobicContact CB-CG 4.45Å; F144-L231 HydrophobicContact CD1-CD2 4.17Å; F144-L231 HydrophobicContact CE1-CD2 3.98Å; I199-L231 HydrophobicContact CG2-CD2 4.36Å; I201-L231 HydrophobicContact CD1-CD2 4.34Å; I201-L231 HydrophobicContact CG1-CD2 4.41Å; S227-L231 PolarHBondContact O-N 2.58Å; C228-L231 WeakPolarHBondContact O-CB 2.76Å; C228-L231 PolarHBondContact O-N 3.1Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 3.07Å; L231-S234 PolarHBondContact O-N 2.81Å; L231-L235 HydrophobicContact CD1-CG 4.4Å; L231-L235 HydrophobicContact CG-CD1 4.26Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.02Å; L231-L270 HydrophobicContact CD2-CD1 3.69Å; L231-L270 HydrophobicContact CG-CD1 4.3Å |
| 232 | L | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 177.9 | -70.3 | 170.8 | 0 | 0 | 0 | 112.5 | C228 G229 I230 Q236 T242 L270 | C228-L232 VanDerWaalsContact O-CG 3.27Å; C228-L232 WeakPolarHBondContact O-CG 2.94Å; C228-L232 PolarHBondContact O-N 3.4Å; G229-L232 PolarHBondContact O-N 3.14Å; I230-L232 VanDerWaalsContact C-N 3.34Å; I230-L232 PolarHBondContact O-N 3.05Å; L232-Q236 PolarHBondContact O-N 3.42Å; L232-T242 HydrophobicContact CD2-CG2 3.5Å; L232-L270 HydrophobicContact CD2-CD1 4.38Å |
| 233 | A | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.5 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M104 G229 I230 L231 Q236 N237 | M104-A233 HydrophobicContact CE-CB 3.78Å; M104-A233 HydrophobicContact SD-CB 3.93Å; G229-A233 PolarHBondContact O-N 2.77Å; G229-A233 VanDerWaalsContact O-N 3.09Å; I230-A233 PolarHBondContact O-N 3.43Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 3.07Å; A233-Q236 PolarHBondContact O-N 3.47Å; A233-N237 WeakPolarHBondContact O-CB 3.29Å; A233-N237 PolarHBondContact O-N 3.26Å |
| 234 | S | 98.9 | Very high | 98.8 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 178.6 | -162.7 | 0 | 0 | 0 | 0 | 111.8 | V126 T129 I230 L231 Q236 N237 V238 | V126-S234 WeakPolarHBondContact CA-OG 3.28Å; V126-S234 WeakPolarHBondContact CG1-OG 3.31Å; T129-S234 PolarHBondContact OG1-OG 3.33Å; I230-S234 WeakPolarHBondContact O-CB 3.5Å; I230-S234 PolarHBondContact O-N 2.81Å; L231-S234 PolarHBondContact O-N 2.81Å; S234-Q236 PolarHBondContact O-N 3.35Å; S234-N237 WeakPolarHBondContact O-CB 3.28Å; S234-N237 PolarHBondContact O-N 3.19Å; S234-V238 WeakPolarHBondContact O-CG2 3.45Å; S234-V238 PolarHBondContact O-N 3.39Å; S234-V238 VanDerWaalsContact O-N 3.09Å |
| 235 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 173.2 | -73.7 | 171.5 | 0 | 0 | 0 | 112.3 | V126 L231 N237 V238 G239 L240 T242 V272 | V126-L235 HydrophobicContact CG1-CD2 4.45Å; V126-L235 HydrophobicContact CG2-CD2 3.99Å; L231-L235 HydrophobicContact CD1-CG 4.4Å; L231-L235 HydrophobicContact CG-CD1 4.26Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.02Å; L235-N237 VanDerWaalsContact C-N 3.3Å; L235-N237 PolarHBondContact O-N 3.18Å; L235-V238 WeakPolarHBondContact O-CG2 3.37Å; L235-V238 PolarHBondContact O-N 2.98Å; L235-G239 PolarHBondContact O-N 2.9Å; L235-L240 CarbonylContact C-O 3.59Å; L235-L240 HydrophobicContact CD2-CB 4.11Å; L235-L240 HydrophobicContact CD2-CD1 4.06Å; L235-L240 PolarHBondContact O-N 2.79Å; L235-T242 HydrophobicContact CD1-CG2 3.86Å; L235-V272 HydrophobicContact CD1-CG2 4.07Å; L235-V272 HydrophobicContact CD2-CG1 3.59Å; L235-V272 HydrophobicContact CD2-CG2 4.3Å |
| 236 | Q | 98.9 | Very high | 98 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 176.2 | 178.7 | 63.4 | 28.8 | 0 | 0 | 111.5 | L103 M104 R107 L232 A233 S234 V238 G239 | L103-Q236 HydrophobicContact CD1-CG 4.22Å; L103-Q236 HydrophobicContact CG-CG 4.21Å; L103-Q236 PolarHBondContact O-NE2 2.94Å; M104-Q236 HydrophobicContact SD-CB 4.2Å; M104-Q236 HydrophobicContact SD-CG 4.14Å; R107-Q236 VanDerWaalsContact CA-OE1 3.3Å; R107-Q236 HydrophobicContact CB-CB 4.41Å; R107-Q236 HydrophobicContact CB-CG 3.99Å; R107-Q236 HydrophobicContact CG-CB 4.26Å; R107-Q236 HydrophobicContact CG-CG 4.36Å; L232-Q236 PolarHBondContact O-N 3.42Å; A233-Q236 PolarHBondContact O-N 3.47Å; S234-Q236 PolarHBondContact O-N 3.35Å; Q236-V238 VanDerWaalsContact C-N 3.31Å; Q236-V238 PolarHBondContact O-N 2.8Å; Q236-G239 PolarHBondContact O-N 3.13Å |
| 237 | N | 98.9 | Very high | 97.2 | Very high | 106 Ų | 106 | 28.5 Ų | 28.5 | 57% | 0.567 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.6 | -35.1 | -179.1 | 178.8 | 75.9 | 0 | 0 | 0 | 113 | L103 A233 S234 L235 G239 | L103-N237 HydrophobicContact CD2-CB 4.32Å; A233-N237 WeakPolarHBondContact O-CB 3.29Å; A233-N237 PolarHBondContact O-N 3.26Å; S234-N237 WeakPolarHBondContact O-CB 3.28Å; S234-N237 PolarHBondContact O-N 3.19Å; L235-N237 VanDerWaalsContact C-N 3.3Å; L235-N237 PolarHBondContact O-N 3.18Å; N237-G239 VanDerWaalsContact C-N 3.31Å |
| 238 | V | 98.7 | Very high | 96.3 | Very high | 63 Ų | 63 | 30.7 Ų | 30.7 | 38% | 0.382 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.9 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | V122 V126 S234 L235 Q236 L240 | V122-V238 HydrophobicContact CG1-CB 4.08Å; V122-V238 HydrophobicContact CG1-CG1 4.4Å; V122-V238 HydrophobicContact CG1-CG2 3.78Å; V126-V238 HydrophobicContact CG1-CG1 4.17Å; V126-V238 HydrophobicContact CG1-CG2 3.83Å; S234-V238 WeakPolarHBondContact O-CG2 3.45Å; S234-V238 PolarHBondContact O-N 3.39Å; S234-V238 VanDerWaalsContact O-N 3.09Å; L235-V238 WeakPolarHBondContact O-CG2 3.37Å; L235-V238 PolarHBondContact O-N 2.98Å; Q236-V238 VanDerWaalsContact C-N 3.31Å; Q236-V238 PolarHBondContact O-N 2.8Å; V238-L240 HydrophobicContact CG2-CB 4.33Å; V238-L240 HydrophobicContact CG2-CD1 3.93Å; V238-L240 HydrophobicContact CG2-CG 3.97Å |
| 239 | G | 98.6 | Very high | 95.6 | Very high | 48 Ų | 48 | 30.9 Ų | 30.9 | 50% | 0.495 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 18.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L235 Q236 N237 | L235-G239 PolarHBondContact O-N 2.9Å; Q236-G239 PolarHBondContact O-N 3.13Å; N237-G239 VanDerWaalsContact C-N 3.31Å |
| 240 | L | 98.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -98.5 | 156.4 | 175.6 | -63.7 | 176.2 | 0 | 0 | 0 | 111.4 | V118 V122 I123 L235 V238 V272 Y274 | V118-L240 HydrophobicContact CG1-CD1 3.74Å; V118-L240 HydrophobicContact CG1-CD2 4.09Å; V118-L240 HydrophobicContact CG2-CD2 3.65Å; V122-L240 HydrophobicContact CG1-CD1 4.01Å; I123-L240 HydrophobicContact CD1-CD1 4.2Å; L235-L240 CarbonylContact C-O 3.59Å; L235-L240 HydrophobicContact CD2-CB 4.11Å; L235-L240 HydrophobicContact CD2-CD1 4.06Å; L235-L240 PolarHBondContact O-N 2.79Å; V238-L240 HydrophobicContact CG2-CB 4.33Å; V238-L240 HydrophobicContact CG2-CD1 3.93Å; V238-L240 HydrophobicContact CG2-CG 3.97Å; L240-V272 HydrophobicContact CB-CG1 4.37Å; L240-V272 HydrophobicContact CD1-CG1 3.97Å; L240-Y274 HydrophobicContact CD2-CD1 4.06Å; L240-Y274 HydrophobicContact CD2-CE1 3.9Å; L240-Y274 HydrophobicContact CD2-CG 4.47Å | ||
| 241 | V | 98.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -119.7 | 158.1 | 177.9 | -58 | 0 | 0 | 0 | 0 | 111.5 | V110 G273 P275 | V110-V241 HydrophobicContact CB-CB 3.96Å; V110-V241 HydrophobicContact CB-CG2 3.86Å; V110-V241 HydrophobicContact CG1-CG2 4.04Å; V110-V241 HydrophobicContact CG2-CB 3.86Å; V110-V241 HydrophobicContact CG2-CG1 4.03Å; V110-V241 HydrophobicContact CG2-CG2 4.17Å; V241-G273 WeakPolarHBondContact CG2-O 3.39Å; V241-G273 PolarHBondContact N-O 3.34Å; V241-G273 PolarHBondContact O-N 3.47Å; V241-P275 HydrophobicContact CG1-CB 4.46Å; V241-P275 HydrophobicContact CG1-CG 4.39Å; V241-P275 HydrophobicContact CG2-CB 4.04Å |
| 242 | T | 98.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -156 | 174.1 | 173.7 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | S109 V110 L232 L235 L270 P271 | S109-T242 WeakPolarHBondContact CA-O 3.07Å; V110-T242 PolarHBondContact N-O 3.06Å; L232-T242 HydrophobicContact CD2-CG2 3.5Å; L235-T242 HydrophobicContact CD1-CG2 3.86Å; T242-L270 HydrophobicContact CG2-CD2 4.5Å; T242-L270 WeakPolarHBondContact OG1-CB 3.47Å; T242-P271 VanDerWaalsContact CA-O 3.29Å; T242-P271 WeakPolarHBondContact CA-O 3.35Å; T242-P271 WeakPolarHBondContact CB-O 3.35Å; T242-P271 PolarHBondContact OG1-O 3.47Å |
| 243 | V | 98.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | trans | -126.7 | 126 | 164.4 | 51.5 | 0 | 0 | 0 | 0 | 108.2 | V110 R111 Y191 S245 P271 | V110-V243 WeakPolarHBondContact O-CB 3.14Å; V110-V243 WeakPolarHBondContact O-CG1 3.4Å; R111-V243 HydrophobicContact CG-CB 4.24Å; R111-V243 HydrophobicContact CG-CG1 4.16Å; R111-V243 HydrophobicContact CG-CG2 4.15Å; Y191-V243 HydrophobicContact CE2-CG1 4.48Å; V243-S245 PolarHBondContact O-N 3.22Å; V243-S245 VanDerWaalsContact O-N 3.12Å; V243-P271 HydrophobicContact CG1-CG 3.7Å; V243-P271 WeakPolarHBondContact O-CD 3.2Å | ||
| 244 | T | 98.1 | Very high | 94.2 | Very high | 52 Ų | 52 | 27.4 Ų | 27.4 | 32% | 0.319 | 17% | 0.168 | S | C | . | . | trans | -65.5 | 113 | 170 | -50.9 | 0 | 0 | 0 | 0 | 109.3 | M268 L270 | T244-M268 HydrophobicContact CG2-CG 4.12Å; T244-M268 HydrophobicContact CG2-SD 3.56Å; T244-M268 VanDerWaalsContact CG2-SD 3.56Å; T244-L270 HydrophobicContact CG2-CD2 4.27Å | ||
| 245 | S | 93.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 29 Ų | 29 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -113.2 | 138.2 | 173.9 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | V243 L269 | V243-S245 PolarHBondContact O-N 3.22Å; V243-S245 VanDerWaalsContact O-N 3.12Å; S245-L269 WeakPolarHBondContact CB-O 3.17Å; S245-L269 PolarHBondContact N-O 2.82Å; S245-L269 VanDerWaalsContact N-O 3.1Å; S245-L269 PolarHBondContact O-N 2.91Å |
| 246 | T | 87 | Confident | 94.1 | Very high | 96 Ų | 96 | 34.3 Ų | 34.3 | 59% | 0.589 | 20% | 0.2 | S | C | * | . | trans | -120.2 | 82.5 | 173 | 53.7 | 0 | 0 | 0 | 0 | 107.1 | L248 | T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.46Å | ||
| 247 | P | 82.4 | Confident | 94 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | trans | -70.2 | 90.4 | -174.8 | 30.8 | -35.4 | 0 | 0 | 0 | 109.4 | V160 N249 C250 L254 L266 L269 | V160-P247 HydrophobicContact CG1-CB 4.05Å; V160-P247 HydrophobicContact CG2-CB 3.98Å; V160-P247 HydrophobicContact CG2-CG 4.42Å; P247-N249 PolarHBondContact O-N 2.89Å; P247-C250 HydrophobicContact CB-CB 3.9Å; P247-C250 HydrophobicContact CG-CB 4.18Å; P247-C250 VanDerWaalsContact O-CB 3.27Å; P247-C250 WeakPolarHBondContact O-CB 3.02Å; P247-C250 PolarHBondContact O-N 3.07Å; P247-C250 VanDerWaalsContact O-N 3.11Å; P247-L254 HydrophobicContact CG-CD1 4.18Å; P247-L266 HydrophobicContact CG-CD2 3.83Å; P247-L269 HydrophobicContact CG-CB 4.32Å; P247-L269 HydrophobicContact CG-CD1 4.39Å | ||
| 248 | L | 79.9 | Confident | 94 | Very high | 46 Ų | 46 | 31.8 Ų | 31.8 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.4 | -174.9 | -174.4 | 73.5 | 0 | 0 | 0 | 110.1 | L55 N167 W176 T246 C250 | L55-L248 HydrophobicContact CD2-CD1 4.31Å; N167-L248 PolarHBondContact ND2-O 3.09Å; N167-L248 VanDerWaalsContact ND2-O 3.07Å; W176-L248 HydrophobicContact CH2-CD2 4.31Å; W176-L248 HydrophobicContact CZ3-CD2 4.49Å; T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.46Å; L248-C250 PolarHBondContact O-N 3.07Å |
| 249 | N | 85.3 | Confident | 94 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 5.3 | -178.6 | -51.5 | -52.1 | 0 | 0 | 0 | 115.2 | W50 A51 D54 N167 R171 P247 | W50-N249 VanDerWaalsContact CD1-O 3.27Å; A51-N249 HydrophobicContact CB-CB 4.32Å; A51-N249 PolarHBondContact O-OD1 2.89Å; D54-N249 VanDerWaalsContact OD2-C 3.28Å; D54-N249 WeakPolarHBondContact OD2-CA 3.18Å; D54-N249 PolarHBondContact OD2-N 2.98Å; D54-N249 VanDerWaalsContact OD2-N 3.12Å; N167-N249 PolarHBondContact OD1-ND2 3.49Å; R171-N249 WeakPolarHBondContact CD-ND2 3.43Å; R171-N249 PolarHBondContact NH1-ND2 2.71Å; P247-N249 PolarHBondContact O-N 2.89Å |
| 250 | C | 89.9 | Confident | 93.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -90.8 | -12.6 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | D54 I159 E163 P247 L248 Q253 L254 | D54-C250 PolarHBondContact OD2-N 3.01Å; I159-C250 HydrophobicContact CG2-CB 4.22Å; E163-C250 WeakPolarHBondContact CB-SG 3.49Å; P247-C250 HydrophobicContact CB-CB 3.9Å; P247-C250 HydrophobicContact CG-CB 4.18Å; P247-C250 VanDerWaalsContact O-CB 3.27Å; P247-C250 WeakPolarHBondContact O-CB 3.02Å; P247-C250 PolarHBondContact O-N 3.07Å; P247-C250 VanDerWaalsContact O-N 3.11Å; L248-C250 PolarHBondContact O-N 3.07Å; C250-Q253 PolarHBondContact O-N 3.24Å; C250-L254 HydrophobicContact CB-CD1 3.59Å; C250-L254 HydrophobicContact CB-CG 4.08Å; C250-L254 WeakPolarHBondContact O-CB 3.45Å; C250-L254 VanDerWaalsContact O-CG 3.29Å; C250-L254 WeakPolarHBondContact O-CG 3.35Å; C250-L254 PolarHBondContact O-N 3.13Å | ||
| 251 | G | 88.8 | Confident | 93.8 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.3 | -53 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D54 Q253 L254 R255 | D54-G251 PolarHBondContact OD2-N 3.16Å; D54-G251 VanDerWaalsContact OD2-N 3.09Å; G251-Q253 PolarHBondContact O-N 3.32Å; G251-L254 PolarHBondContact O-N 3.31Å; G251-R255 VanDerWaalsContact O-CB 3.24Å; G251-R255 WeakPolarHBondContact O-CB 3.38Å; G251-R255 PolarHBondContact O-N 2.91Å |
| 252 | P | 92.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | -175.9 | -25.6 | 38.4 | 0 | 0 | 0 | 112.9 | W50 Q53 D54 L256 | W50-P252 HydrophobicContact CB-CB 3.98Å; W50-P252 HydrophobicContact CB-CG 3.97Å; Q53-P252 HydrophobicContact CB-CG 4.27Å; D54-P252 WeakPolarHBondContact OD1-CD 3.22Å; P252-L256 WeakPolarHBondContact O-CG 3.48Å; P252-L256 PolarHBondContact O-N 3.01Å; P252-L256 VanDerWaalsContact O-N 3.09Å |
| 253 | Q | 96 | Very high | 93.3 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.5 | -43.9 | 178.9 | -67.5 | -169.7 | -2.2 | 0 | 0 | 111.6 | W50 I159 C250 G251 L256 L257 | W50-Q253 VanDerWaalsContact CE2-NE2 3.3Å; I159-Q253 HydrophobicContact CD1-CB 4.31Å; I159-Q253 HydrophobicContact CG2-CB 3.93Å; C250-Q253 PolarHBondContact O-N 3.24Å; G251-Q253 PolarHBondContact O-N 3.32Å; Q253-L256 PolarHBondContact O-N 3.48Å; Q253-L257 WeakPolarHBondContact O-CB 3.39Å; Q253-L257 PolarHBondContact O-N 3.42Å |
| 254 | L | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 177.1 | -68.2 | 174.3 | 0 | 0 | 0 | 111.7 | I156 I159 V160 L200 P247 C250 G251 L256 L257 L258 L266 | I156-L254 HydrophobicContact CB-CD2 4.12Å; I156-L254 HydrophobicContact CG1-CD2 3.92Å; I156-L254 HydrophobicContact CG2-CD2 3.84Å; I159-L254 HydrophobicContact CB-CD2 4.3Å; I159-L254 HydrophobicContact CD1-CD2 4.28Å; I159-L254 HydrophobicContact CG2-CD2 3.99Å; I159-L254 HydrophobicContact CG2-CG 4.06Å; V160-L254 HydrophobicContact CG2-CD1 4.23Å; L200-L254 HydrophobicContact CD2-CD1 4.29Å; P247-L254 HydrophobicContact CG-CD1 4.18Å; C250-L254 HydrophobicContact CB-CD1 3.59Å; C250-L254 HydrophobicContact CB-CG 4.08Å; C250-L254 WeakPolarHBondContact O-CB 3.45Å; C250-L254 VanDerWaalsContact O-CG 3.29Å; C250-L254 WeakPolarHBondContact O-CG 3.35Å; C250-L254 PolarHBondContact O-N 3.13Å; G251-L254 PolarHBondContact O-N 3.31Å; L254-L256 PolarHBondContact O-N 2.76Å; L254-L257 PolarHBondContact O-N 3.18Å; L254-L258 WeakPolarHBondContact O-CB 3.41Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 3.24Å; L254-L266 HydrophobicContact CB-CD2 4.4Å; L254-L266 HydrophobicContact CD1-CD2 3.43Å; L254-L266 VanDerWaalsContact CD1-CD2 3.43Å |
| 255 | R | 97.1 | Very high | 93.1 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 18% | 0.177 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 173.3 | -171.4 | -173.8 | 64.1 | 74.3 | -3.9 | 111.5 | F202 G251 K259 R260 P261 E264 | F202-R255 HydrophobicContact CE1-CB 4Å; F202-R255 HydrophobicContact CE1-CG 4.2Å; G251-R255 VanDerWaalsContact O-CB 3.24Å; G251-R255 WeakPolarHBondContact O-CB 3.38Å; G251-R255 PolarHBondContact O-N 2.91Å; R255-K259 PolarHBondContact O-N 3.06Å; R255-K259 VanDerWaalsContact O-N 3.1Å; R255-R260 HydrophobicContact CG-CB 3.72Å; R255-R260 PolarHBondContact NH1-O 3.19Å; R255-R260 VanDerWaalsContact NH1-O 3.15Å; R255-R260 PolarHBondContact O-N 3.08Å; R255-P261 WeakPolarHBondContact CD-O 3.27Å; R255-E264 WeakPolarHBondContact CD-O 3.35Å |
| 256 | L | 97.3 | Very high | 93.3 | Very high | 114 Ų | 114 | 43.5 Ų | 43.5 | 60% | 0.597 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -66.4 | -45.8 | 178.4 | -70.6 | 173.9 | 0 | 0 | 0 | 112.1 | P252 Q253 L254 L258 K259 | P252-L256 WeakPolarHBondContact O-CG 3.48Å; P252-L256 PolarHBondContact O-N 3.01Å; P252-L256 VanDerWaalsContact O-N 3.09Å; Q253-L256 PolarHBondContact O-N 3.48Å; L254-L256 PolarHBondContact O-N 2.76Å; L256-L258 VanDerWaalsContact C-N 3.27Å; L256-L258 PolarHBondContact O-N 2.92Å; L256-K259 PolarHBondContact O-N 3.28Å; L256-K259 VanDerWaalsContact O-N 3.09Å |
| 257 | L | 98 | Very high | 93.8 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.2 | -45.1 | 176.8 | 175.2 | 65.9 | 0 | 0 | 0 | 111.4 | K155 I156 I159 Q253 L254 K259 | K155-L257 HydrophobicContact CB-CD1 4.1Å; K155-L257 HydrophobicContact CB-CD2 3.88Å; K155-L257 HydrophobicContact CD-CD1 4.02Å; I156-L257 HydrophobicContact CG1-CD2 3.65Å; I159-L257 HydrophobicContact CD1-CB 4.41Å; I159-L257 HydrophobicContact CD1-CD2 3.91Å; Q253-L257 WeakPolarHBondContact O-CB 3.39Å; Q253-L257 PolarHBondContact O-N 3.42Å; L254-L257 PolarHBondContact O-N 3.18Å; L257-K259 VanDerWaalsContact C-N 3.26Å; L257-K259 PolarHBondContact O-N 3.18Å |
| 258 | L | 98.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 7.6 | -177.7 | -63.2 | 172.5 | 0 | 0 | 0 | 113.4 | V145 V147 T152 I156 L200 F202 L254 L256 R260 | V145-L258 HydrophobicContact CG1-CD1 4.08Å; V145-L258 HydrophobicContact CG1-CD2 4.25Å; V147-L258 HydrophobicContact CG2-CD2 3.97Å; T152-L258 HydrophobicContact CG2-CD2 3.93Å; I156-L258 HydrophobicContact CD1-CD2 4.35Å; L200-L258 HydrophobicContact CB-CD1 4.41Å; L200-L258 HydrophobicContact CD1-CD1 4.04Å; L200-L258 HydrophobicContact CD2-CD1 3.68Å; L200-L258 HydrophobicContact CG-CD1 4.25Å; F202-L258 HydrophobicContact CE2-CD1 4.14Å; F202-L258 HydrophobicContact CZ-CD1 4.27Å; L254-L258 WeakPolarHBondContact O-CB 3.41Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 3.24Å; L256-L258 VanDerWaalsContact C-N 3.27Å; L256-L258 PolarHBondContact O-N 2.92Å; L258-R260 HydrophobicContact CB-CG 3.99Å; L258-R260 WeakPolarHBondContact O-CD 3.44Å; L258-R260 PolarHBondContact O-N 3.25Å |
| 259 | K | 98.1 | Very high | 95.4 | Very high | 185 Ų | 185 | 39.1 Ų | 39.1 | 80% | 0.804 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38.1 | 178.6 | -55 | 177.8 | -178.5 | 177.3 | 0 | 112.6 | R255 L256 L257 | R255-K259 PolarHBondContact O-N 3.06Å; R255-K259 VanDerWaalsContact O-N 3.1Å; L256-K259 PolarHBondContact O-N 3.28Å; L256-K259 VanDerWaalsContact O-N 3.09Å; L257-K259 VanDerWaalsContact C-N 3.26Å; L257-K259 PolarHBondContact O-N 3.18Å |
| 260 | R | 97.9 | Very high | 96 | Very high | 72 Ų | 72 | 39 Ų | 39 | 27% | 0.272 | 20% | 0.2 | S | C | . | . | trans | -82.9 | 142.6 | 177.5 | -61.2 | -44.1 | -57.3 | 160.3 | 2.8 | 110.8 | V145 F202 R255 L258 E264 | V145-R260 HydrophobicContact CG2-CG 4.2Å; F202-R260 HydrophobicContact CD2-CG 4.45Å; F202-R260 HydrophobicContact CE1-CB 4.36Å; F202-R260 HydrophobicContact CE1-CG 4.24Å; F202-R260 HydrophobicContact CE2-CG 4.14Å; F202-R260 HydrophobicContact CZ-CG 4.04Å; R255-R260 HydrophobicContact CG-CB 3.72Å; R255-R260 PolarHBondContact NH1-O 3.19Å; R255-R260 VanDerWaalsContact NH1-O 3.15Å; R255-R260 PolarHBondContact O-N 3.08Å; L258-R260 HydrophobicContact CB-CG 3.99Å; L258-R260 WeakPolarHBondContact O-CD 3.44Å; L258-R260 PolarHBondContact O-N 3.25Å; R260-E264 HydrophobicContact CB-CB 4.41Å; R260-E264 IonicContact CZ-OE1 3.93Å; R260-E264 IonicContact CZ-OE2 3.62Å; R260-E264 VanDerWaalsContact CZ-OE2 3.3Å; R260-E264 IonicContact NE-OE1 3.07Å; R260-E264 IonicContact NE-OE2 2.67Å; R260-E264 PolarHBondContact NE-OE2 3.48Å; R260-E264 VanDerWaalsContact NH2-CD 3.28Å; R260-E264 IonicContact NH2-OE1 3.3Å; R260-E264 PolarHBondContact NH2-OE1 3.35Å; R260-E264 IonicContact NH2-OE2 3.87Å; R260-E264 PolarHBondContact NH2-OE2 3.08Å; R260-E264 VanDerWaalsContact NH2-OE2 3.1Å | ||
| 261 | P | 96.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 39 Ų | 39 | 34% | 0.344 | 20% | 0.2 | S | C | . | . | trans | -66 | 164.1 | -176.9 | 31.4 | -38.3 | 0 | 0 | 0 | 111.7 | R255 N263 E264 | R255-P261 WeakPolarHBondContact CD-O 3.27Å; P261-N263 WeakPolarHBondContact CB-OD1 3.43Å; P261-N263 WeakPolarHBondContact CG-OD1 3.2Å; P261-N263 PolarHBondContact O-N 3.05Å; P261-E264 HydrophobicContact CG-CB 4.4Å; P261-E264 HydrophobicContact CG-CG 4.07Å; P261-E264 PolarHBondContact O-N 3.34Å; P261-E264 VanDerWaalsContact O-N 3.15Å | ||
| 262 | A | 93.4 | Very high | 96.9 | Very high | 71 Ų | 71 | 38.7 Ų | 38.7 | 59% | 0.587 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | E264 | A262-E264 PolarHBondContact O-N 3.33Š|
| 263 | N | 94.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -3.2 | 175.6 | 68.9 | -52.1 | 0 | 0 | 0 | 113.4 | Q204 T205 Y206 P261 | Q204-N263 CarbonylContact C-O 3.51Å; Q204-N263 WeakPolarHBondContact CA-O 3.41Å; T205-N263 PolarHBondContact N-O 3.35Å; T205-N263 PolarHBondContact OG1-O 3.11Å; Y206-N263 HydrophobicContact CD1-CB 3.99Å; Y206-N263 HydrophobicContact CD2-CB 3.76Å; Y206-N263 HydrophobicContact CE1-CB 3.61Å; Y206-N263 HydrophobicContact CE2-CB 3.38Å; Y206-N263 HydrophobicContact CG-CB 4.05Å; Y206-N263 PolarHBondContact O-ND2 2.89Å; P261-N263 WeakPolarHBondContact CB-OD1 3.43Å; P261-N263 WeakPolarHBondContact CG-OD1 3.2Å; P261-N263 PolarHBondContact O-N 3.05Å |
| 264 | E | 96.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.023 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.2 | 178.9 | -80.8 | 178.7 | -147.7 | 0 | 0 | 111.5 | T143 F202 K203 Q204 R255 R260 P261 A262 | T143-E264 PolarHBondContact OG1-OE1 2.68Å; F202-E264 HydrophobicContact CB-CB 4.06Å; F202-E264 HydrophobicContact CB-CG 4.28Å; F202-E264 HydrophobicContact CD1-CB 3.92Å; F202-E264 HydrophobicContact CG-CB 4.33Å; K203-E264 WeakPolarHBondContact O-CA 3.39Å; Q204-E264 HydrophobicContact CG-CG 3.73Å; R255-E264 WeakPolarHBondContact CD-O 3.35Å; R260-E264 HydrophobicContact CB-CB 4.41Å; R260-E264 IonicContact CZ-OE1 3.93Å; R260-E264 IonicContact CZ-OE2 3.62Å; R260-E264 VanDerWaalsContact CZ-OE2 3.3Å; R260-E264 IonicContact NE-OE1 3.07Å; R260-E264 IonicContact NE-OE2 2.67Å; R260-E264 PolarHBondContact NE-OE2 3.48Å; R260-E264 VanDerWaalsContact NH2-CD 3.28Å; R260-E264 IonicContact NH2-OE1 3.3Å; R260-E264 PolarHBondContact NH2-OE1 3.35Å; R260-E264 IonicContact NH2-OE2 3.87Å; R260-E264 PolarHBondContact NH2-OE2 3.08Å; R260-E264 VanDerWaalsContact NH2-OE2 3.1Å; P261-E264 HydrophobicContact CG-CB 4.4Å; P261-E264 HydrophobicContact CG-CG 4.07Å; P261-E264 PolarHBondContact O-N 3.34Å; P261-E264 VanDerWaalsContact O-N 3.15Å; A262-E264 PolarHBondContact O-N 3.33Å |
| 265 | K | 96.1 | Very high | 97.4 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.6 | 174.1 | -66.5 | -173.1 | -179.7 | 177.1 | 0 | 110 | D58 F202 K203 T205 L267 | D58-K265 IonicContact OD1-NZ 3.1Å; D58-K265 PolarHBondContact OD1-NZ 3.06Å; D58-K265 WeakPolarHBondContact OD2-CE 3.44Å; D58-K265 IonicContact OD2-NZ 3.85Å; D58-K265 PolarHBondContact OD2-NZ 3.47Å; F202-K265 CarbonylContact C-O 3.58Å; F202-K265 VanDerWaalsContact CA-O 3.23Å; F202-K265 WeakPolarHBondContact CA-O 3.43Å; F202-K265 VanDerWaalsContact CD1-C 3.43Å; K203-K265 HydrophobicContact CG-CB 4.15Å; K203-K265 PolarHBondContact N-O 3.49Å; K203-K265 PolarHBondContact O-N 3.28Å; T205-K265 HydrophobicContact CG2-CD 3.83Å; T205-K265 HydrophobicContact CG2-CG 4.01Å; K265-L267 PolarHBondContact O-N 3.4Å |
| 266 | L | 97 | Very high | 97.5 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 128.1 | 177.2 | 179.6 | 66.7 | 0 | 0 | 0 | 109.3 | L200 F202 P247 L254 M268 | L200-L266 HydrophobicContact CB-CD1 3.88Å; L200-L266 HydrophobicContact CD2-CD1 4.06Å; L200-L266 HydrophobicContact CG-CD1 4.43Å; F202-L266 HydrophobicContact CD1-CB 4.23Å; F202-L266 HydrophobicContact CD2-CD1 4.28Å; F202-L266 HydrophobicContact CE1-CB 3.86Å; F202-L266 HydrophobicContact CE2-CD1 3.93Å; F202-L266 HydrophobicContact CZ-CB 4.15Å; F202-L266 HydrophobicContact CZ-CD1 4.06Å; P247-L266 HydrophobicContact CG-CD2 3.83Å; L254-L266 HydrophobicContact CB-CD2 4.4Å; L254-L266 HydrophobicContact CD1-CD2 3.43Å; L254-L266 VanDerWaalsContact CD1-CD2 3.43Å; L266-M268 WeakPolarHBondContact CD1-O 3.39Å |
| 267 | L | 96.6 | Very high | 97.5 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -48.2 | 174.9 | -174.4 | 68.3 | 0 | 0 | 0 | 111.5 | I201 E221 V224 K265 | I201-L267 PolarHBondContact O-N 3.13Å; E221-L267 HydrophobicContact CG-CD1 3.96Å; V224-L267 HydrophobicContact CB-CD2 3.77Å; V224-L267 HydrophobicContact CG1-CD2 3.49Å; V224-L267 VanDerWaalsContact CG1-CD2 3.49Å; K265-L267 PolarHBondContact O-N 3.4Å |
| 268 | M | 97.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 45 Ų | 45 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 149.4 | -178.1 | -63.3 | -175.6 | -164.2 | 0 | 0 | 111.3 | I201 C228 T244 L266 | I201-M268 HydrophobicContact CD1-CB 3.91Å; I201-M268 PolarHBondContact N-O 2.83Å; I201-M268 PolarHBondContact O-N 2.99Å; C228-M268 HydrophobicContact CB-CE 3.87Å; C228-M268 HydrophobicContact CB-SD 3.6Å; C228-M268 VanDerWaalsContact CB-SD 3.6Å; T244-M268 HydrophobicContact CG2-CG 4.12Å; T244-M268 HydrophobicContact CG2-SD 3.56Å; T244-M268 VanDerWaalsContact CG2-SD 3.56Å; L266-M268 WeakPolarHBondContact CD1-O 3.39Å |
| 269 | L | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.5 | 168 | -173.4 | 165.7 | 0 | 0 | 0 | 108.4 | I156 V160 L192 L200 S245 P247 | I156-L269 HydrophobicContact CG2-CD1 3.9Å; V160-L269 HydrophobicContact CG2-CD1 4.33Å; L192-L269 HydrophobicContact CD2-CD1 4.13Å; L192-L269 HydrophobicContact CD2-CD2 3.44Å; L192-L269 VanDerWaalsContact CD2-CD2 3.44Å; L192-L269 HydrophobicContact CD2-CG 4.45Å; L200-L269 HydrophobicContact CD2-CD1 4.05Å; L200-L269 HydrophobicContact CD2-CG 4.31Å; L200-L269 HydrophobicContact CG-CD1 4.36Å; L200-L269 HydrophobicContact CG-CG 4.1Å; S245-L269 WeakPolarHBondContact CB-O 3.17Å; S245-L269 PolarHBondContact N-O 2.82Å; S245-L269 VanDerWaalsContact N-O 3.1Å; S245-L269 PolarHBondContact O-N 2.91Å; P247-L269 HydrophobicContact CG-CB 4.32Å; P247-L269 HydrophobicContact CG-CD1 4.39Å |
| 270 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 108.8 | 178.8 | -55.5 | -174.2 | 0 | 0 | 0 | 110.4 | L198 I199 I201 L231 L232 T242 T244 V272 | L198-L270 WeakPolarHBondContact CA-O 3.2Å; I199-L270 HydrophobicContact CB-CB 4.34Å; I199-L270 PolarHBondContact N-O 2.93Å; I199-L270 PolarHBondContact O-N 2.99Å; I201-L270 HydrophobicContact CD1-CD1 3.7Å; I201-L270 HydrophobicContact CD1-CG 3.64Å; L231-L270 HydrophobicContact CD2-CD1 3.69Å; L231-L270 HydrophobicContact CG-CD1 4.3Å; L232-L270 HydrophobicContact CD2-CD1 4.38Å; T242-L270 HydrophobicContact CG2-CD2 4.5Å; T242-L270 WeakPolarHBondContact OG1-CB 3.47Å; T244-L270 HydrophobicContact CG2-CD2 4.27Å; L270-V272 HydrophobicContact CB-CG2 4.19Å |
| 271 | P | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.9 | 164.8 | 34.4 | -34.7 | 0 | 0 | 0 | 108.5 | I113 Y191 A195 L198 T242 V243 | I113-P271 HydrophobicContact CD1-CB 3.66Å; I113-P271 HydrophobicContact CD1-CG 3.72Å; I113-P271 WeakPolarHBondContact CD1-O 3.42Å; Y191-P271 HydrophobicContact CD2-CB 3.8Å; Y191-P271 HydrophobicContact CD2-CG 3.51Å; Y191-P271 HydrophobicContact CE2-CB 4.46Å; Y191-P271 HydrophobicContact CE2-CG 3.86Å; Y191-P271 HydrophobicContact CG-CG 4.35Å; A195-P271 HydrophobicContact CB-CB 3.83Å; L198-P271 HydrophobicContact CD2-CB 3.76Å; T242-P271 VanDerWaalsContact CA-O 3.29Å; T242-P271 WeakPolarHBondContact CA-O 3.35Å; T242-P271 WeakPolarHBondContact CB-O 3.35Å; T242-P271 PolarHBondContact OG1-O 3.47Å; V243-P271 HydrophobicContact CG1-CG 3.7Å; V243-P271 WeakPolarHBondContact O-CD 3.2Å |
| 272 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.8 | -170.6 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | I123 P196 Y197 I199 L235 L240 L270 | I123-V272 HydrophobicContact CD1-CG1 3.94Å; P196-V272 VanDerWaalsContact CD-O 3.24Å; P196-V272 WeakPolarHBondContact CD-O 3.39Å; P196-V272 VanDerWaalsContact CG-O 3.31Å; P196-V272 WeakPolarHBondContact CG-O 3.33Å; Y197-V272 PolarHBondContact N-O 3.49Å; Y197-V272 PolarHBondContact O-N 2.97Å; I199-V272 HydrophobicContact CD1-CG2 3.83Å; I199-V272 HydrophobicContact CG1-CG2 4.06Å; L235-V272 HydrophobicContact CD1-CG2 4.07Å; L235-V272 HydrophobicContact CD2-CG1 3.59Å; L235-V272 HydrophobicContact CD2-CG2 4.3Å; L240-V272 HydrophobicContact CB-CG1 4.37Å; L240-V272 HydrophobicContact CD1-CG1 3.97Å; L270-V272 HydrophobicContact CB-CG2 4.19Å |
| 273 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | 178.5 | -167.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V241 | V241-G273 WeakPolarHBondContact CG2-O 3.39Å; V241-G273 PolarHBondContact N-O 3.34Å; V241-G273 PolarHBondContact O-N 3.47Å |
| 274 | Y | 98.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 45 Ų | 45 | 29% | 0.286 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 153.4 | 167.4 | -62.3 | -71.7 | 0 | 0 | 0 | 110.7 | I113 S114 E116 V118 L240 | I113-Y274 CarbonylContact C-O 3.59Å; I113-Y274 WeakPolarHBondContact CA-O 3.19Å; I113-Y274 WeakPolarHBondContact CG2-O 3.44Å; S114-Y274 PolarHBondContact N-O 3.4Å; E116-Y274 HydrophobicContact CB-CD2 3.98Å; E116-Y274 HydrophobicContact CG-CD2 3.87Å; E116-Y274 HydrophobicContact CG-CE2 4.06Å; V118-Y274 HydrophobicContact CG2-CD2 4.11Å; V118-Y274 HydrophobicContact CG2-CE2 3.84Å; L240-Y274 HydrophobicContact CD2-CD1 4.06Å; L240-Y274 HydrophobicContact CD2-CE1 3.9Å; L240-Y274 HydrophobicContact CD2-CG 4.47Å |
| 275 | P | 98.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 39% | 0.39 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 144.9 | 170.4 | 28.8 | -33.7 | 0 | 0 | 0 | 110.2 | V110 V241 A279 | V110-P275 HydrophobicContact CG1-CB 4.31Å; V241-P275 HydrophobicContact CG1-CB 4.46Å; V241-P275 HydrophobicContact CG1-CG 4.39Å; V241-P275 HydrophobicContact CG2-CB 4.04Å; P275-A279 HydrophobicContact CB-CB 4.13Å |
| 276 | A | 98.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 57 Ų | 57 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 153 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F112 D278 A279 | F112-A276 HydrophobicContact CB-CB 4.05Å; F112-A276 PolarHBondContact O-N 2.97Å; A276-D278 PolarHBondContact O-N 2.99Å; A276-A279 HydrophobicContact CB-CB 4.27Å; A276-A279 WeakPolarHBondContact O-CB 3.29Å; A276-A279 PolarHBondContact O-N 3.44Å |
| 277 | A | 97.6 | Very high | 97.9 | Very high | 119 Ų | 119 | 62.4 Ų | 62.4 | 98% | 0.983 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 278 | D | 96.9 | Very high | 98 | Very high | 126 Ų | 126 | 66.3 Ų | 66.3 | 67% | 0.674 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 13.8 | 177.7 | 65.7 | -22.6 | 0 | 0 | 0 | 112.9 | A276 T280 | A276-D278 PolarHBondContact O-N 2.99Å; D278-T280 PolarHBondContact O-N 3.43Å |
| 279 | A | 97.8 | Very high | 98 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | trans | -58.7 | 124.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V110 F112 P275 A276 | V110-A279 HydrophobicContact CG1-CB 4.09Å; F112-A279 HydrophobicContact CB-CB 3.85Å; P275-A279 HydrophobicContact CB-CB 4.13Å; A276-A279 HydrophobicContact CB-CB 4.27Å; A276-A279 WeakPolarHBondContact O-CB 3.29Å; A276-A279 PolarHBondContact O-N 3.44Å | ||
| 280 | T | 97.9 | Very high | 98 | Very high | 95 Ų | 95 | 76.5 Ų | 76.5 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | trans | -108.6 | 155.6 | 174.5 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | D278 | D278-T280 PolarHBondContact O-N 3.43Š| ||
| 281 | V | 97.9 | Very high | 98 | Very high | 57 Ų | 57 | 81.8 Ų | 81.8 | 35% | 0.345 | 43% | 0.434 | S | S | . | . | trans | -132.2 | 147.4 | 172.9 | -66.4 | 0 | 0 | 0 | 0 | 108.9 | R108 V110 | R108-V281 HydrophobicContact CB-CG1 3.96Å; R108-V281 HydrophobicContact CG-CG2 4.39Å; R108-V281 VanDerWaalsContact NH1-CG2 3.34Å; V110-V281 HydrophobicContact CG2-CG1 4.26Å | ||
| 282 | P | 97.1 | Very high | 97.9 | Very high | 33 Ų | 33 | 87.6 Ų | 87.6 | 21% | 0.214 | 46% | 0.463 | C | S | . | . | trans | -62.8 | 143.6 | 174.6 | 26.9 | -34.4 | 0 | 0 | 0 | 110 | R108 L183 L284 | R108-P282 PolarHBondContact NH1-O 3.46Å; R108-P282 PolarHBondContact NH2-O 2.89Å; L183-P282 HydrophobicContact CD2-CG 4.2Å; P282-L284 HydrophobicContact CB-CD1 4.42Å; P282-L284 HydrophobicContact CB-CD2 4.38Å; P282-L284 HydrophobicContact CB-CG 3.98Å; P282-L284 HydrophobicContact CG-CD1 3.91Å; P282-L284 HydrophobicContact CG-CG 3.96Å; P282-L284 PolarHBondContact O-N 3.03Å | ||
| 283 | D | 96.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 92.8 Ų | 92.8 | 66% | 0.658 | 49% | 0.489 | S | S | * | . | trans | -79 | 64.7 | 178.7 | -170.2 | 25.5 | 0 | 0 | 0 | 112.1 | K285 | D283-K285 IonicContact OD1-NZ 2.78Å; D283-K285 PolarHBondContact OD1-NZ 3.5Å; D283-K285 IonicContact OD2-NZ 3.16Å; D283-K285 PolarHBondContact OD2-NZ 3.06Å | ||
| 284 | L | 96.3 | Very high | 97.8 | Very high | 77 Ų | 77 | 98.9 Ų | 98.9 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 137.6 | 177.4 | -56.8 | 177.7 | 0 | 0 | 0 | 110.2 | L183 P282 | L183-L284 HydrophobicContact CD2-CD1 3.94Å; P282-L284 HydrophobicContact CB-CD1 4.42Å; P282-L284 HydrophobicContact CB-CD2 4.38Å; P282-L284 HydrophobicContact CB-CG 3.98Å; P282-L284 HydrophobicContact CG-CD1 3.91Å; P282-L284 HydrophobicContact CG-CG 3.96Å; P282-L284 PolarHBondContact O-N 3.03Å |
| 285 | K | 97.3 | Very high | 97.7 | Very high | 160 Ų | 160 | 99.8 Ų | 99.8 | 70% | 0.696 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -98.8 | 138.3 | 170.7 | -51.4 | -52.8 | -179.4 | -164.7 | 0 | 109.6 | D283 | D283-K285 IonicContact OD1-NZ 2.78Å; D283-K285 PolarHBondContact OD1-NZ 3.5Å; D283-K285 IonicContact OD2-NZ 3.16Å; D283-K285 PolarHBondContact OD2-NZ 3.06Å |
| 286 | R | 98.2 | Very high | 97.5 | Very high | 136 Ų | 136 | 108 Ų | 108 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 153.4 | 169.6 | -71.2 | 179.5 | 175.7 | 150.6 | 6.4 | 108.5 | M104 S105 R107 | M104-R286 PolarHBondContact O-NH1 3.13Å; M104-R286 VanDerWaalsContact O-NH1 3.13Å; S105-R286 PolarHBondContact O-NH1 2.82Å; R107-R286 PolarHBondContact O-NH2 3.43Å |
| 287 | K | 98.3 | Very high | 97.4 | Very high | 138 Ų | 138 | 112.3 Ų | 112.3 | 60% | 0.6 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 150.5 | 169 | -68.6 | -175.9 | 173.2 | -171.7 | 0 | 110.7 | E291 I292 | K287-E291 WeakPolarHBondContact CA-OE2 3.5Å; K287-E291 HydrophobicContact CB-CB 3.96Å; K287-E291 HydrophobicContact CD-CB 4.13Å; K287-E291 HydrophobicContact CG-CB 4.39Å; K287-I292 HydrophobicContact CB-CG2 3.82Å; K287-I292 HydrophobicContact CD-CG2 4Å |
| 288 | N | 98.1 | Very high | 97.4 | Very high | 108 Ų | 108 | 111.9 Ų | 111.9 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 170.7 | 174 | -64 | -28 | 0 | 0 | 0 | 111.1 | E290 E291 | N288-E290 VanDerWaalsContact C-N 3.29Å; N288-E290 WeakPolarHBondContact CB-OE2 3.49Å; N288-E290 PolarHBondContact O-N 3.37Å; N288-E291 PolarHBondContact N-OE2 3.49Å; N288-E291 PolarHBondContact O-N 3.1Å |
| 289 | L | 98.2 | Very high | 97.4 | Very high | 96 Ų | 96 | 111.2 Ų | 111.2 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -60.4 | -39.9 | -174.1 | -178.9 | 61.5 | 0 | 0 | 0 | 112 | E291 I292 M293 | L289-E291 PolarHBondContact O-N 3.36Å; L289-I292 HydrophobicContact CD1-CG1 4.4Å; L289-I292 WeakPolarHBondContact O-CG1 3.33Å; L289-I292 PolarHBondContact O-N 3.41Å; L289-I292 VanDerWaalsContact O-N 3.09Å; L289-M293 HydrophobicContact CD1-CB 3.89Å; L289-M293 HydrophobicContact CD1-SD 4.08Å; L289-M293 HydrophobicContact CD2-CE 4.16Å; L289-M293 HydrophobicContact CG-CB 4.29Å; L289-M293 HydrophobicContact CG-CE 4.2Å; L289-M293 HydrophobicContact CG-SD 4.4Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 PolarHBondContact O-N 3.35Å |
| 290 | E | 98.1 | Very high | 97.4 | Very high | 149 Ų | 149 | 115.6 Ų | 115.6 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -65.8 | -21.7 | -177.8 | -56.2 | 74.2 | -158.8 | 0 | 0 | 112.5 | N288 | N288-E290 VanDerWaalsContact C-N 3.29Å; N288-E290 WeakPolarHBondContact CB-OE2 3.49Å; N288-E290 PolarHBondContact O-N 3.37Å |
| 291 | E | 98.4 | Very high | 97.4 | Very high | 112 Ų | 112 | 116.9 Ų | 116.9 | 52% | 0.523 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -88.1 | -11.2 | 178.1 | -62.6 | 178.6 | 77.3 | 0 | 0 | 113.2 | K287 N288 L289 | K287-E291 WeakPolarHBondContact CA-OE2 3.5Å; K287-E291 HydrophobicContact CB-CB 3.96Å; K287-E291 HydrophobicContact CD-CB 4.13Å; K287-E291 HydrophobicContact CG-CB 4.39Å; N288-E291 PolarHBondContact N-OE2 3.49Å; N288-E291 PolarHBondContact O-N 3.1Å; L289-E291 PolarHBondContact O-N 3.36Å |
| 292 | I | 98 | Very high | 97.4 | Very high | 121 Ų | 121 | 120.9 Ų | 120.9 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | -12 | -174.8 | 66.9 | 172.9 | 0 | 0 | 0 | 113.7 | K287 L289 | K287-I292 HydrophobicContact CB-CG2 3.82Å; K287-I292 HydrophobicContact CD-CG2 4Å; L289-I292 HydrophobicContact CD1-CG1 4.4Å; L289-I292 WeakPolarHBondContact O-CG1 3.33Å; L289-I292 PolarHBondContact O-N 3.41Å; L289-I292 VanDerWaalsContact O-N 3.09Å |
| 293 | M | 98.1 | Very high | 97.4 | Very high | 110 Ų | 110 | 127.2 Ų | 127.2 | 54% | 0.542 | 65% | 0.647 | S | S | . | * | trans | -120 | 123.1 | 179.8 | -172.9 | -177.5 | 76.4 | 0 | 0 | 110.5 | L289 | L289-M293 HydrophobicContact CD1-CB 3.89Å; L289-M293 HydrophobicContact CD1-SD 4.08Å; L289-M293 HydrophobicContact CD2-CE 4.16Å; L289-M293 HydrophobicContact CG-CB 4.29Å; L289-M293 HydrophobicContact CG-CE 4.2Å; L289-M293 HydrophobicContact CG-SD 4.4Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 PolarHBondContact O-N 3.35Å | ||
| 294 | V | 97.9 | Very high | 97.4 | Very high | 128 Ų | 128 | 127.5 Ų | 127.5 | 78% | 0.776 | 65% | 0.646 | S | S | * | * | trans | -112.4 | 120.9 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | I296 | V294-I296 HydrophobicContact CG1-CG1 4.08Š| ||
| 295 | A | 95.6 | Very high | 97.5 | Very high | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 67% | 0.666 | S | S | * | * | trans | -94.7 | 128 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 296 | I | 94 | Very high | 97.5 | Very high | 231 Ų | 231 | 129.2 Ų | 129.2 | 100% | 1.185 | 66% | 0.663 | S | S | * | * | trans | -111.8 | 0 | 178.1 | -56.8 | 177 | 0 | 0 | 0 | 108.1 | V294 | V294-I296 HydrophobicContact CG1-CG1 4.08Š|
Retrieved 296 of 296 residues in 177.6 ms
(Link to these results)