| 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 | 42.2 | Very low | 51.6 | Low | 235 Ų | 235 | 171.1 Ų | 171.1 | 100% | 1.158 | 86% | 0.855 | S | S | * | * | 0 | 133.3 | 0 | -74.1 | -170.8 | 174.8 | 0 | 0 | 109.1 | |||||
| 2 | L | 47.9 | Very low | 51.9 | Low | 166 Ų | 166 | 170.3 Ų | 170.3 | 87% | 0.869 | 85% | 0.854 | S | S | * | * | trans | 72.5 | 93.8 | 155.4 | -63.9 | 161 | 0 | 0 | 0 | 119.9 | ||||
| 3 | A | 44.9 | Very low | 51.7 | Low | 84 Ų | 84 | 163.7 Ų | 163.7 | 69% | 0.694 | 84% | 0.842 | S | S | * | * | 51 | 98.6 | 125.1 | 0 | 0 | 0 | 0 | 0 | 120 | L5 | A3-L5 PolarHBondContact O-N 3.5Š| |||
| 4 | R | 49.9 | Very low | 51.9 | Low | 252 Ų | 252 | 169.2 Ų | 169.2 | 95% | 0.951 | 85% | 0.847 | S | S | * | * | trans | -78.5 | 106.7 | 147.4 | -96.6 | -176.7 | 177 | -146.2 | 0.3 | 108.6 | S6 | R4-S6 PolarHBondContact O-N 3.43Š| ||
| 5 | L | 55.4 | Low | 51.4 | Low | 165 Ų | 165 | 170.9 Ų | 170.9 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | -71.5 | 102.4 | 168.8 | -74 | 161.3 | 0 | 0 | 0 | 109.3 | A3 R7 | A3-L5 PolarHBondContact O-N 3.5Å; L5-R7 PolarHBondContact O-N 3.18Å | ||
| 6 | S | 54.9 | Low | 51.4 | Low | 91 Ų | 91 | 175.4 Ų | 175.4 | 64% | 0.636 | 85% | 0.852 | S | S | * | * | trans | -70 | 120.4 | 167.9 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | R4 F8 | R4-S6 PolarHBondContact O-N 3.43Å; S6-F8 PolarHBondContact O-N 3.15Å; S6-F8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | R | 59.1 | Low | 51.4 | Low | 249 Ų | 249 | 172.6 Ų | 172.6 | 94% | 0.94 | 85% | 0.848 | S | S | * | * | trans | -64.4 | 104.1 | 174.3 | -64 | 174.9 | 176.4 | 176.7 | -3.3 | 110.1 | L5 R9 | L5-R7 PolarHBondContact O-N 3.18Å; R7-R9 PolarHBondContact O-N 3.42Å | ||
| 8 | F | 50 | Low | 51.4 | Low | 191 Ų | 191 | 170.6 Ų | 170.6 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | trans | -83.1 | 105.5 | 164.4 | -92.7 | -87 | 0 | 0 | 0 | 109.3 | S6 | S6-F8 PolarHBondContact O-N 3.15Å; S6-F8 VanDerWaalsContact O-N 3.15Å | ||
| 9 | R | 57.4 | Low | 51.5 | Low | 234 Ų | 234 | 168.4 Ų | 168.4 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -75.8 | 124.4 | 165.3 | -122 | 178.1 | 168.2 | 160.7 | -3.9 | 107.4 | R7 A11 | R7-R9 PolarHBondContact O-N 3.42Å; R9-A11 PolarHBondContact O-N 3.08Å | ||
| 10 | P | 51.6 | Low | 51.5 | Low | 115 Ų | 115 | 163.1 Ų | 163.1 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | trans | -73.9 | 119.6 | 166.1 | 28.7 | -29.3 | 0 | 0 | 0 | 108.2 | L12 | P10-L12 PolarHBondContact O-N 3.35Š| ||
| 11 | A | 54.5 | Low | 51.4 | Low | 100 Ų | 100 | 165.4 Ų | 165.4 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -66.8 | 101 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | R9 A13 | R9-A11 PolarHBondContact O-N 3.08Å; A11-A13 PolarHBondContact O-N 3.18Å | ||
| 12 | L | 55.3 | Low | 52.2 | Low | 161 Ų | 161 | 158 Ų | 158 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -63.2 | 104.9 | 165.1 | -77.2 | 164.5 | 0 | 0 | 0 | 107.6 | P10 R14 | P10-L12 PolarHBondContact O-N 3.35Å; L12-R14 PolarHBondContact O-N 3.49Å | ||
| 13 | A | 49.5 | Very low | 52.6 | Low | 85 Ų | 85 | 153.5 Ų | 153.5 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | -58.2 | 109.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | A11 F15 | A11-A13 PolarHBondContact O-N 3.18Å; A13-F15 PolarHBondContact O-N 3.08Å | ||
| 14 | R | 53.8 | Low | 53.5 | Low | 241 Ų | 241 | 160.7 Ų | 160.7 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -64.5 | 100.6 | 169.8 | -77.7 | -180 | -111.7 | 169.8 | -3.1 | 107.7 | L12 R16 | L12-R14 PolarHBondContact O-N 3.49Å; R14-R16 PolarHBondContact O-N 2.9Å | ||
| 15 | F | 43.9 | Very low | 53.9 | Low | 194 Ų | 194 | 158 Ų | 158 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 106 | 161.9 | -97.5 | -90.4 | 0 | 0 | 0 | 107.9 | A13 T17 | A13-F15 PolarHBondContact O-N 3.08Å; F15-T17 PolarHBondContact O-N 2.97Å | ||
| 16 | R | 51.3 | Low | 54.2 | Low | 243 Ų | 243 | 155.5 Ų | 155.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -71.3 | 103.2 | 165.2 | -88.5 | -177 | 160.1 | -176.5 | -4.9 | 107.4 | R14 N18 | R14-R16 PolarHBondContact O-N 2.9Å; R16-N18 PolarHBondContact O-N 3.03Å | ||
| 17 | T | 52.6 | Low | 54.5 | Low | 129 Ų | 129 | 155.5 Ų | 155.5 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -71.1 | 114.5 | 165.1 | 51.2 | 0 | 0 | 0 | 0 | 108.3 | F15 | F15-T17 PolarHBondContact O-N 2.97Š| ||
| 18 | N | 51.5 | Low | 54.8 | Low | 136 Ų | 136 | 152.6 Ų | 152.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -62.3 | 128.8 | 174 | -154 | 14.9 | 0 | 0 | 0 | 109.4 | R16 A20 | R16-N18 PolarHBondContact O-N 3.03Å; N18-A20 PolarHBondContact O-N 3.42Å | ||
| 19 | P | 52.2 | Low | 55.5 | Low | 129 Ų | 129 | 147.2 Ų | 147.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -85.7 | 66.5 | 178.6 | 36 | -32.5 | 0 | 0 | 0 | 109.2 | ||
| 20 | A | 52.3 | Low | 55.8 | Low | 62 Ų | 62 | 141.5 Ų | 141.5 | 51% | 0.512 | 77% | 0.773 | S | S | . | * | trans | -123.9 | 16.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N18 | N18-A20 PolarHBondContact O-N 3.42Š| ||
| 21 | F | 50 | Low | 56 | Low | 211 Ų | 211 | 141.8 Ų | 141.8 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | -129.6 | 47.1 | 176.2 | -72.7 | -76.1 | 0 | 0 | 0 | 111.9 | ||||
| 22 | G | 57.7 | Low | 55.9 | Low | 81 Ų | 81 | 141.7 Ų | 141.7 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -106.6 | 20.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 23 | A | 56.9 | Low | 56 | Low | 71 Ų | 71 | 138.4 Ų | 138.4 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | trans | -94.8 | 96.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | F25 | A23-F25 HydrophobicContact CB-CE2 4.14Å; A23-F25 WeakPolarHBondContact O-CD2 3.32Å; A23-F25 PolarHBondContact O-N 3.32Å | ||
| 24 | R | 63.6 | Low | 56.4 | Low | 234 Ų | 234 | 138.9 Ų | 138.9 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -69.8 | 98.7 | 169.5 | -148.7 | -178.1 | -158.5 | -177.2 | 4.8 | 107.2 | V26 | R24-V26 PolarHBondContact O-N 3.2Š| ||
| 25 | F | 58.7 | Low | 56.3 | Low | 197 Ų | 197 | 131.3 Ų | 131.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -70.3 | 108.9 | 172.3 | -77.1 | -84.7 | 0 | 0 | 0 | 108.8 | A23 | A23-F25 HydrophobicContact CB-CE2 4.14Å; A23-F25 WeakPolarHBondContact O-CD2 3.32Å; A23-F25 PolarHBondContact O-N 3.32Å | ||
| 26 | V | 62.5 | Low | 56.7 | Low | 112 Ų | 112 | 126 Ų | 126 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | -97.2 | 115.3 | 171.4 | 180 | 0 | 0 | 0 | 0 | 107.4 | R24 Q28 | R24-V26 PolarHBondContact O-N 3.2Å; V26-Q28 PolarHBondContact O-N 3.38Å | ||
| 27 | S | 60.9 | Low | 56.3 | Low | 90 Ų | 90 | 118.4 Ų | 118.4 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | -66.5 | 124.5 | 169.3 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | S29 | S27-S29 VanDerWaalsContact C-N 3.35Å; S27-S29 PolarHBondContact OG-N 3.15Å; S27-S29 PolarHBondContact OG-OG 3.29Å | ||
| 28 | Q | 63.8 | Low | 56.2 | Low | 188 Ų | 188 | 117.7 Ų | 117.7 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -95.3 | 15 | 170 | -65.6 | -162.1 | -5.7 | 0 | 0 | 112.6 | V26 | V26-Q28 PolarHBondContact O-N 3.38Š| ||
| 29 | S | 66.2 | Low | 55.8 | Low | 78 Ų | 78 | 115.4 Ų | 115.4 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | S | Bend | trans | -69.5 | 137.4 | 177.2 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | S27 | S27-S29 VanDerWaalsContact C-N 3.35Å; S27-S29 PolarHBondContact OG-N 3.15Å; S27-S29 PolarHBondContact OG-OG 3.29Å |
| 30 | P | 63.7 | Low | 55.8 | Low | 114 Ų | 114 | 116.4 Ų | 116.4 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 138.1 | 171.8 | -21.8 | 31.2 | 0 | 0 | 0 | 110.4 | S32 | P30-S32 PolarHBondContact O-N 3.17Å; P30-S32 VanDerWaalsContact O-N 3.12Å |
| 31 | P | 55.1 | Low | 55.3 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.7 | -178.8 | 24.4 | -31.5 | 0 | 0 | 0 | 109.7 | G33 | P31-G33 PolarHBondContact O-N 2.91Š|
| 32 | S | 53.5 | Low | 55.4 | Low | 98 Ų | 98 | 115.1 Ų | 115.1 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 128.7 | 164.5 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | P30 A34 A35 | P30-S32 PolarHBondContact O-N 3.17Å; P30-S32 VanDerWaalsContact O-N 3.12Å; S32-A34 PolarHBondContact O-N 3.17Å; S32-A35 PolarHBondContact O-N 3.16Å |
| 33 | G | 56.5 | Low | 54.8 | Low | 92 Ų | 92 | 118.7 Ų | 118.7 | 95% | 0.948 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 13.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | P31 | P31-G33 PolarHBondContact O-N 2.91Š|
| 34 | A | 57.2 | Low | 53.9 | Low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -6.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S32 G36 | S32-A34 PolarHBondContact O-N 3.17Å; A34-G36 PolarHBondContact O-N 2.97Å |
| 35 | A | 53.1 | Low | 53.1 | Low | 82 Ų | 82 | 118.4 Ų | 118.4 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -95 | 92.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S32 S37 | S32-A35 PolarHBondContact O-N 3.16Å; A35-S37 PolarHBondContact O-N 3.33Å; A35-S37 VanDerWaalsContact O-N 3.17Å |
| 36 | G | 50.6 | Low | 52.3 | Low | 81 Ų | 81 | 114.7 Ų | 114.7 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 115.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A34 | A34-G36 PolarHBondContact O-N 2.97Š| ||
| 37 | S | 44.3 | Very low | 51.7 | Low | 85 Ų | 85 | 120.4 Ų | 120.4 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | -59.5 | 131.9 | 168.6 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | A35 T39 | A35-S37 PolarHBondContact O-N 3.33Å; A35-S37 VanDerWaalsContact O-N 3.17Å; S37-T39 PolarHBondContact O-N 3.01Å; S37-T39 VanDerWaalsContact OG-CG2 3.29Å; S37-T39 WeakPolarHBondContact OG-CG2 3.47Å; S37-T39 PolarHBondContact OG-OG1 3.07Å | ||
| 38 | A | 49 | Very low | 50.8 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 93% | 0.934 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 48.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 39 | T | 44.2 | Very low | 50.1 | Low | 89 Ų | 89 | 117.5 Ų | 117.5 | 55% | 0.546 | 77% | 0.768 | S | S | . | * | trans | -102 | 121.1 | 169.1 | 45.8 | 0 | 0 | 0 | 0 | 107.1 | S37 S41 | S37-T39 PolarHBondContact O-N 3.01Å; S37-T39 VanDerWaalsContact OG-CG2 3.29Å; S37-T39 WeakPolarHBondContact OG-CG2 3.47Å; S37-T39 PolarHBondContact OG-OG1 3.07Å; T39-S41 PolarHBondContact O-N 3.05Å | ||
| 40 | V | 51.7 | Low | 49 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | trans | -46.9 | 100.5 | 170.4 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 41 | S | 41.2 | Very low | 48 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | trans | -109.9 | 110.5 | 167.1 | -73.6 | 0 | 0 | 0 | 0 | 106.2 | T39 L43 | T39-S41 PolarHBondContact O-N 3.05Å; S41-L43 PolarHBondContact O-N 3.49Å; S41-L43 VanDerWaalsContact O-N 3.17Å | ||
| 42 | D | 53.7 | Low | 47.7 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -43.5 | 117.8 | 153.9 | -90.8 | -47.2 | 0 | 0 | 0 | 108.4 | ||||
| 43 | L | 43.8 | Very low | 47.4 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -117.6 | 100.7 | 175 | -73.5 | 177.5 | 0 | 0 | 0 | 109.7 | S41 | S41-L43 PolarHBondContact O-N 3.49Å; S41-L43 VanDerWaalsContact O-N 3.17Å | ||
| 44 | Q | 39.6 | Very low | 47.2 | Very low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -51.9 | 142.3 | 151.7 | -169.4 | 156.7 | -59.6 | 0 | 0 | 109.9 | S46 | Q44-S46 PolarHBondContact O-N 2.7Š| ||
| 45 | P | 46.6 | Very low | 47.6 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 112.7 | -166.5 | 30.9 | -29.4 | 0 | 0 | 0 | 110.6 | R47 | P45-R47 PolarHBondContact O-N 2.89Š| ||
| 46 | S | 40.9 | Very low | 48.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -78 | 102 | 166.8 | 42.5 | 0 | 0 | 0 | 0 | 109.4 | Q44 A48 | Q44-S46 PolarHBondContact O-N 2.7Å; S46-A48 PolarHBondContact O-N 3.43Å; S46-A48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | R | 50.3 | Low | 49.1 | Very low | 232 Ų | 232 | 135.8 Ų | 135.8 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -66.8 | 102.9 | 169.8 | -171.5 | -176.3 | -177.3 | 112.6 | -1.1 | 109.2 | P45 | P45-R47 PolarHBondContact O-N 2.89Š| ||
| 48 | A | 41.9 | Very low | 50.6 | Low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -115.1 | 113 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S46 | S46-A48 PolarHBondContact O-N 3.43Å; S46-A48 VanDerWaalsContact O-N 3.14Å | ||
| 49 | T | 48.1 | Very low | 52.1 | Low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | -75 | 129.6 | 178.3 | -15.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 50 | E | 44.4 | Very low | 53.9 | Low | 189 Ų | 189 | 132 Ų | 132 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | 131.2 | 80.6 | 153.8 | -72.4 | -177.2 | -173.5 | 0 | 0 | 114.9 | ||||
| 51 | S | 43.2 | Very low | 55.4 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | -173.5 | 127.9 | 135.6 | 169.1 | 0 | 0 | 0 | 0 | 104.8 | G53 | S51-G53 PolarHBondContact O-N 2.99Š| ||
| 52 | H | 47.3 | Very low | 57.2 | Low | 205 Ų | 205 | 136 Ų | 136 | 95% | 0.949 | 74% | 0.736 | S | S | * | * | trans | -69.2 | 60.2 | 168.9 | -73.6 | -89.4 | 0 | 0 | 0 | 109.7 | ||||
| 53 | G | 47.2 | Very low | 58.7 | Low | 53 Ų | 53 | 130.3 Ų | 130.3 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -90.8 | 117.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | S51 A55 | S51-G53 PolarHBondContact O-N 2.99Å; G53-A55 PolarHBondContact O-N 3.37Å |
| 54 | H | 53.8 | Low | 60.6 | Low | 190 Ų | 190 | 133.5 Ų | 133.5 | 88% | 0.88 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -47 | 119.4 | 170.7 | -69.4 | -89.5 | 0 | 0 | 0 | 108.6 | E56 | H54-E56 PolarHBondContact O-N 3.36Š|
| 55 | A | 64.6 | Low | 62.8 | Low | 80 Ų | 80 | 131.1 Ų | 131.1 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 135.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108 | G53 V57 | G53-A55 PolarHBondContact O-N 3.37Å; A55-V57 VanDerWaalsContact C-N 3.33Å; A55-V57 WeakPolarHBondContact O-CG2 3.5Å; A55-V57 PolarHBondContact O-N 2.93Å |
| 56 | E | 63 | Low | 64.8 | Low | 205 Ų | 205 | 128.2 Ų | 128.2 | 96% | 0.958 | 67% | 0.674 | S | S | * | * | trans | -58.8 | 99.1 | 173.8 | -112.8 | -171.8 | 165.6 | 0 | 0 | 108.1 | H54 | H54-E56 PolarHBondContact O-N 3.36Š| ||
| 57 | V | 72.6 | Confident | 67 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | trans | -87.4 | 121.7 | 173.1 | -177.2 | 0 | 0 | 0 | 0 | 106.5 | A55 A59 | A55-V57 VanDerWaalsContact C-N 3.33Å; A55-V57 WeakPolarHBondContact O-CG2 3.5Å; A55-V57 PolarHBondContact O-N 2.93Å; V57-A59 PolarHBondContact O-N 3.43Å | ||
| 58 | S | 76.4 | Confident | 68.8 | Low | 49 Ų | 49 | 117.5 Ų | 117.5 | 34% | 0.343 | 63% | 0.634 | S | S | . | * | trans | -66.4 | 119.9 | 179 | 85 | 0 | 0 | 0 | 0 | 109.2 | F60 E61 | S58-F60 PolarHBondContact O-N 3.48Å; S58-F60 VanDerWaalsContact O-N 3.17Å; S58-E61 PolarHBondContact O-N 2.86Å; S58-E61 WeakPolarHBondContact OG-CG 3.32Å; S58-E61 PolarHBondContact OG-OE1 3.17Å | ||
| 59 | A | 79.1 | Confident | 71 | Confident | 30 Ų | 30 | 116.9 Ų | 116.9 | 25% | 0.248 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -63 | -23.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V57 E61 K62 N63 Y66 | V57-A59 PolarHBondContact O-N 3.43Å; A59-E61 VanDerWaalsContact C-N 3.34Å; A59-E61 PolarHBondContact O-N 3.1Å; A59-K62 PolarHBondContact O-N 3.3Å; A59-N63 PolarHBondContact O-N 3.24Å; A59-Y66 HydrophobicContact CB-CD1 3.75Å; A59-Y66 HydrophobicContact CB-CD2 4.21Å; A59-Y66 HydrophobicContact CB-CE1 3.59Å; A59-Y66 HydrophobicContact CB-CE2 4.05Å; A59-Y66 HydrophobicContact CB-CG 4.05Å |
| 60 | F | 82.1 | Confident | 72.8 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.5 | -24 | 178.1 | -63.8 | -74.5 | 0 | 0 | 0 | 114 | S58 K62 N63 Y66 | S58-F60 PolarHBondContact O-N 3.48Å; S58-F60 VanDerWaalsContact O-N 3.17Å; F60-K62 VanDerWaalsContact C-N 3.3Å; F60-N63 WeakPolarHBondContact CA-O 3.39Å; F60-N63 CarbonylContact O-C 3.49Å; F60-Y66 HydrophobicContact CD1-CD1 4.31Å; F60-Y66 AromaticContact CE1-CD1 3.87Å; F60-Y66 HydrophobicContact CE1-CD1 3.87Å; F60-Y66 HydrophobicContact CE1-CG 4.39Å; F60-Y66 WeakPolarHBondContact CE1-O 3.36Å; F60-Y66 HydrophobicContact CE2-CD1 4.24Å; F60-Y66 AromaticContact CZ-CD1 3.83Å; F60-Y66 HydrophobicContact CZ-CD1 3.83Å |
| 61 | E | 83.2 | Confident | 74.7 | Confident | 159 Ų | 159 | 110 Ų | 110 | 74% | 0.743 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.2 | -35.4 | 172.8 | -82.2 | 162.8 | -137.2 | 0 | 0 | 111.6 | S58 A59 | S58-E61 PolarHBondContact O-N 2.86Å; S58-E61 WeakPolarHBondContact OG-CG 3.32Å; S58-E61 PolarHBondContact OG-OE1 3.17Å; A59-E61 VanDerWaalsContact C-N 3.34Å; A59-E61 PolarHBondContact O-N 3.1Å |
| 62 | K | 80.4 | Confident | 76.9 | Confident | 157 Ų | 157 | 109.9 Ų | 109.9 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -82.9 | -44.1 | -179.2 | -172.2 | 175.6 | 177.7 | -174.2 | 0 | 111.9 | A59 F60 | A59-K62 PolarHBondContact O-N 3.3Å; F60-K62 VanDerWaalsContact C-N 3.3Å |
| 63 | N | 83.6 | Confident | 78.8 | Confident | 44 Ų | 44 | 103.7 Ų | 103.7 | 24% | 0.235 | 54% | 0.544 | C | S | . | . | trans | -132.2 | 110.9 | 177.9 | -69.6 | -29.2 | 0 | 0 | 0 | 109.1 | A59 F60 D65 Y66 Q71 | A59-N63 PolarHBondContact O-N 3.24Å; F60-N63 WeakPolarHBondContact CA-O 3.39Å; F60-N63 CarbonylContact O-C 3.49Å; N63-D65 PolarHBondContact O-N 2.95Å; N63-Y66 VanDerWaalsContact O-CB 3.31Å; N63-Y66 WeakPolarHBondContact O-CB 3.49Å; N63-Y66 PolarHBondContact O-N 2.87Å; N63-Q71 PolarHBondContact ND2-O 3.09Å | ||
| 64 | R | 84.1 | Confident | 80.9 | Confident | 225 Ų | 225 | 105.9 Ų | 105.9 | 85% | 0.849 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.8 | 179.7 | -174.2 | 168.2 | 145.3 | 134.1 | -3.9 | 112.9 | Y66 | R64-Y66 VanDerWaalsContact C-N 3.31Å; R64-Y66 PolarHBondContact O-N 2.81Å |
| 65 | D | 86.1 | Confident | 82.6 | Confident | 130 Ų | 130 | 100.5 Ų | 100.5 | 70% | 0.695 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 38.7 | 178.9 | -56.8 | -32 | 0 | 0 | 0 | 112 | N63 H67 | N63-D65 PolarHBondContact O-N 2.95Å; D65-H67 PolarHBondContact O-CE1 2.99Å; D65-H67 PolarHBondContact O-ND1 3.42Å |
| 66 | Y | 89.6 | Confident | 83.9 | Confident | 58 Ų | 58 | 96.8 Ų | 96.8 | 23% | 0.227 | 50% | 0.496 | C | S | . | . | trans | -78.1 | 127.6 | -179 | 179.2 | -110.8 | 0 | 0 | 0 | 111.7 | A59 F60 N63 R64 G68 S70 | A59-Y66 HydrophobicContact CB-CD1 3.75Å; A59-Y66 HydrophobicContact CB-CD2 4.21Å; A59-Y66 HydrophobicContact CB-CE1 3.59Å; A59-Y66 HydrophobicContact CB-CE2 4.05Å; A59-Y66 HydrophobicContact CB-CG 4.05Å; F60-Y66 HydrophobicContact CD1-CD1 4.31Å; F60-Y66 AromaticContact CE1-CD1 3.87Å; F60-Y66 HydrophobicContact CE1-CD1 3.87Å; F60-Y66 HydrophobicContact CE1-CG 4.39Å; F60-Y66 WeakPolarHBondContact CE1-O 3.36Å; F60-Y66 HydrophobicContact CE2-CD1 4.24Å; F60-Y66 AromaticContact CZ-CD1 3.83Å; F60-Y66 HydrophobicContact CZ-CD1 3.83Å; N63-Y66 VanDerWaalsContact O-CB 3.31Å; N63-Y66 WeakPolarHBondContact O-CB 3.49Å; N63-Y66 PolarHBondContact O-N 2.87Å; R64-Y66 VanDerWaalsContact C-N 3.31Å; R64-Y66 PolarHBondContact O-N 2.81Å; Y66-G68 VanDerWaalsContact CE1-CA 3.49Å; Y66-S70 VanDerWaalsContact CE2-O 3.27Å; Y66-S70 WeakPolarHBondContact CE2-O 3.39Å | ||
| 67 | H | 86.9 | Confident | 85.3 | Confident | 77 Ų | 77 | 90.6 Ų | 90.6 | 36% | 0.356 | 47% | 0.467 | S | S | . | . | trans | -101.5 | -5.3 | -176.1 | -53.6 | 89.7 | 0 | 0 | 0 | 113.6 | D65 F69 D76 M80 | D65-H67 PolarHBondContact O-CE1 2.99Å; D65-H67 PolarHBondContact O-ND1 3.42Å; H67-F69 HydrophobicContact CB-CD2 3.99Å; H67-F69 HydrophobicContact CB-CE2 4.3Å; H67-D76 WeakPolarHBondContact CA-OD2 3.46Å; H67-D76 VanDerWaalsContact CB-OD2 3.29Å; H67-D76 WeakPolarHBondContact CB-OD2 3.47Å; H67-D76 IonicContact CG-OD2 3.59Å; H67-D76 PolarHBondContact N-OD2 3.32Å; H67-D76 IonicContact ND1-OD2 3.04Å; H67-D76 PolarHBondContact ND1-OD2 2.85Å; H67-M80 HydrophobicContact CB-CB 4.3Å; H67-M80 HydrophobicContact CB-SD 4.16Å; H67-M80 PolarHBondContact CD2-SD 3.31Å | ||
| 68 | G | 88.1 | Confident | 86.4 | Confident | 48 Ų | 48 | 92.3 Ų | 92.3 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 91.7 | 6.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116 | Y66 D76 | Y66-G68 VanDerWaalsContact CE1-CA 3.49Å; G68-D76 PolarHBondContact N-OD1 2.98Å |
| 69 | F | 86.9 | Confident | 87.2 | Confident | 85 Ų | 85 | 93.8 Ų | 93.8 | 37% | 0.373 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -97 | -43 | -179.6 | -64.7 | -86.1 | 0 | 0 | 0 | 112.7 | H67 D76 N79 M80 A83 | H67-F69 HydrophobicContact CB-CD2 3.99Å; H67-F69 HydrophobicContact CB-CE2 4.3Å; F69-D76 WeakPolarHBondContact CA-OD1 3.43Å; F69-D76 VanDerWaalsContact CB-OD1 3.3Å; F69-D76 WeakPolarHBondContact CB-OD1 3.5Å; F69-D76 PolarHBondContact N-OD1 3.2Å; F69-N79 HydrophobicContact CB-CB 3.88Å; F69-N79 HydrophobicContact CD1-CB 4.25Å; F69-N79 WeakPolarHBondContact CD1-ND2 3.32Å; F69-N79 HydrophobicContact CG-CB 4.07Å; F69-M80 HydrophobicContact CD2-CB 3.81Å; F69-M80 VanDerWaalsContact CE2-CA 3.46Å; F69-M80 HydrophobicContact CE2-CB 3.51Å; F69-M80 HydrophobicContact CE2-CG 3.89Å; F69-M80 HydrophobicContact CZ-CB 4.33Å; F69-A83 HydrophobicContact CE1-CB 4.06Å; F69-A83 HydrophobicContact CZ-CB 4.22Å |
| 70 | S | 86.9 | Confident | 87.8 | Confident | 25 Ų | 25 | 94.4 Ų | 94.4 | 18% | 0.175 | 46% | 0.464 | C | S | . | . | trans | -154.5 | 153.3 | 179.2 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | Y66 D72 V75 D76 | Y66-S70 VanDerWaalsContact CE2-O 3.27Å; Y66-S70 WeakPolarHBondContact CE2-O 3.39Å; S70-D72 PolarHBondContact O-N 2.63Å; S70-D72 PolarHBondContact OG-O 3.18Å; S70-V75 WeakPolarHBondContact OG-CB 3.36Å; S70-D76 PolarHBondContact N-OD1 3.03Å; S70-D76 WeakPolarHBondContact O-CB 3.5Å; S70-D76 WeakPolarHBondContact OG-CA 3.33Å; S70-D76 WeakPolarHBondContact OG-CB 3.45Å; S70-D76 PolarHBondContact OG-N 3.28Å | ||
| 71 | Q | 84.5 | Confident | 88.4 | Confident | 138 Ų | 138 | 94.8 Ų | 94.8 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -67.8 | -25 | 177 | -63.2 | -173.1 | 2.2 | 0 | 0 | 113.3 | N63 | N63-Q71 PolarHBondContact ND2-O 3.09Š|
| 72 | D | 88.5 | Confident | 89 | Confident | 106 Ų | 106 | 91 Ų | 91 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -79.4 | 120.5 | 175.2 | -69 | -27.7 | 0 | 0 | 0 | 110 | S70 V74 V75 D76 | S70-D72 PolarHBondContact O-N 2.63Å; S70-D72 PolarHBondContact OG-O 3.18Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 2.81Å; D72-V75 HydrophobicContact CB-CB 4.18Å; D72-V75 HydrophobicContact CB-CG2 4.09Å; D72-V75 PolarHBondContact O-N 3.42Å; D72-D76 VanDerWaalsContact O-CB 3.28Å; D72-D76 WeakPolarHBondContact O-CB 3.2Å; D72-D76 PolarHBondContact O-N 3.09Å |
| 73 | P | 87.4 | Confident | 89.7 | Confident | 75 Ų | 75 | 85.7 Ų | 85.7 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65 | -35 | -169.7 | 24 | -33.5 | 0 | 0 | 0 | 113.2 | D76 E77 | P73-D76 PolarHBondContact O-N 2.85Å; P73-E77 PolarHBondContact O-N 3.5Å; P73-E77 VanDerWaalsContact O-N 3.13Å |
| 74 | V | 90.6 | Very high | 90.2 | Very high | 100 Ų | 100 | 89 Ų | 89 | 61% | 0.606 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.2 | -42.2 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | D72 D76 W78 | D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 2.81Å; V74-D76 VanDerWaalsContact C-N 3.34Å; V74-W78 PolarHBondContact O-N 3.03Å |
| 75 | V | 90.9 | Very high | 90.7 | Very high | 76 Ų | 76 | 83.4 Ų | 83.4 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.4 | -36.5 | 179.8 | 180 | 0 | 0 | 0 | 0 | 110 | S70 D72 W78 N79 | S70-V75 WeakPolarHBondContact OG-CB 3.36Å; D72-V75 HydrophobicContact CB-CB 4.18Å; D72-V75 HydrophobicContact CB-CG2 4.09Å; D72-V75 PolarHBondContact O-N 3.42Å; V75-W78 PolarHBondContact O-N 3.11Å; V75-N79 VanDerWaalsContact O-CB 3.24Å; V75-N79 WeakPolarHBondContact O-CB 3.36Å; V75-N79 PolarHBondContact O-N 2.97Å |
| 76 | D | 91.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 82.2 Ų | 82.2 | 2% | 0.016 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.4 | -47.7 | -178.1 | -171.4 | 52.8 | 0 | 0 | 0 | 111.3 | H67 G68 F69 S70 D72 P73 V74 N79 M80 | H67-D76 WeakPolarHBondContact CA-OD2 3.46Å; H67-D76 VanDerWaalsContact CB-OD2 3.29Å; H67-D76 WeakPolarHBondContact CB-OD2 3.47Å; H67-D76 IonicContact CG-OD2 3.59Å; H67-D76 PolarHBondContact N-OD2 3.32Å; H67-D76 IonicContact ND1-OD2 3.04Å; H67-D76 PolarHBondContact ND1-OD2 2.85Å; G68-D76 PolarHBondContact N-OD1 2.98Å; F69-D76 WeakPolarHBondContact CA-OD1 3.43Å; F69-D76 VanDerWaalsContact CB-OD1 3.3Å; F69-D76 WeakPolarHBondContact CB-OD1 3.5Å; F69-D76 PolarHBondContact N-OD1 3.2Å; S70-D76 PolarHBondContact N-OD1 3.03Å; S70-D76 WeakPolarHBondContact O-CB 3.5Å; S70-D76 WeakPolarHBondContact OG-CA 3.33Å; S70-D76 WeakPolarHBondContact OG-CB 3.45Å; S70-D76 PolarHBondContact OG-N 3.28Å; D72-D76 VanDerWaalsContact O-CB 3.28Å; D72-D76 WeakPolarHBondContact O-CB 3.2Å; D72-D76 PolarHBondContact O-N 3.09Å; P73-D76 PolarHBondContact O-N 2.85Å; V74-D76 VanDerWaalsContact C-N 3.34Å; D76-N79 PolarHBondContact O-N 3.08Å; D76-M80 WeakPolarHBondContact O-CB 3.35Å; D76-M80 PolarHBondContact O-N 3.12Å |
| 77 | E | 91.7 | Very high | 91.4 | Very high | 74 Ų | 74 | 81.1 Ų | 81.1 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.7 | -173.8 | -176.2 | -177.7 | 0 | 0 | 112 | P73 R81 | P73-E77 PolarHBondContact O-N 3.5Å; P73-E77 VanDerWaalsContact O-N 3.13Å; E77-R81 VanDerWaalsContact O-CG 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.27Å; E77-R81 PolarHBondContact O-N 3.45Å; E77-R81 IonicContact OE1-CZ 3.55Å; E77-R81 IonicContact OE1-NE 3.04Å; E77-R81 IonicContact OE1-NH1 2.85Å; E77-R81 IonicContact OE1-NH2 3.42Å; E77-R81 PolarHBondContact OE1-NH2 3.3Å |
| 78 | W | 94.7 | Very high | 91.8 | Very high | 152 Ų | 152 | 81.5 Ų | 81.5 | 58% | 0.576 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 177.6 | -97.7 | 93.5 | 0 | 0 | 0 | 112 | V74 V75 M80 R81 M82 | V74-W78 PolarHBondContact O-N 3.03Å; V75-W78 PolarHBondContact O-N 3.11Å; W78-M80 VanDerWaalsContact C-N 3.34Å; W78-M80 PolarHBondContact O-N 2.83Å; W78-R81 PolarHBondContact O-N 2.99Å; W78-M82 HydrophobicContact CE3-CG 4.02Å; W78-M82 HydrophobicContact CE3-SD 4.25Å; W78-M82 HydrophobicContact CZ3-CG 4.49Å; W78-M82 HydrophobicContact CZ3-SD 4.12Å; W78-M82 WeakPolarHBondContact O-CB 3.46Å; W78-M82 WeakPolarHBondContact O-CG 3.34Å; W78-M82 PolarHBondContact O-N 3.08Å |
| 79 | N | 93.8 | Very high | 92 | Very high | 80 Ų | 80 | 81.3 Ų | 81.3 | 43% | 0.428 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | -178.4 | -153.8 | 30.3 | 0 | 0 | 0 | 111.1 | F69 V75 D76 M82 A83 | F69-N79 HydrophobicContact CB-CB 3.88Å; F69-N79 HydrophobicContact CD1-CB 4.25Å; F69-N79 WeakPolarHBondContact CD1-ND2 3.32Å; F69-N79 HydrophobicContact CG-CB 4.07Å; V75-N79 VanDerWaalsContact O-CB 3.24Å; V75-N79 WeakPolarHBondContact O-CB 3.36Å; V75-N79 PolarHBondContact O-N 2.97Å; D76-N79 PolarHBondContact O-N 3.08Å; N79-M82 PolarHBondContact O-N 3.01Å; N79-A83 WeakPolarHBondContact O-CB 3.25Å; N79-A83 PolarHBondContact O-N 2.75Å |
| 80 | M | 92.4 | Very high | 92.4 | Very high | 43 Ų | 43 | 81.1 Ų | 81.1 | 21% | 0.212 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56 | -53.3 | 170.4 | -179.8 | -170 | 60.7 | 0 | 0 | 111.4 | H67 F69 D76 W78 M82 A83 F84 | H67-M80 HydrophobicContact CB-CB 4.3Å; H67-M80 HydrophobicContact CB-SD 4.16Å; H67-M80 PolarHBondContact CD2-SD 3.31Å; F69-M80 HydrophobicContact CD2-CB 3.81Å; F69-M80 VanDerWaalsContact CE2-CA 3.46Å; F69-M80 HydrophobicContact CE2-CB 3.51Å; F69-M80 HydrophobicContact CE2-CG 3.89Å; F69-M80 HydrophobicContact CZ-CB 4.33Å; D76-M80 WeakPolarHBondContact O-CB 3.35Å; D76-M80 PolarHBondContact O-N 3.12Å; W78-M80 VanDerWaalsContact C-N 3.34Å; W78-M80 PolarHBondContact O-N 2.83Å; M80-M82 VanDerWaalsContact C-N 3.33Å; M80-M82 PolarHBondContact O-N 3.25Å; M80-A83 PolarHBondContact O-N 2.83Å; M80-F84 HydrophobicContact CG-CD2 3.55Å; M80-F84 HydrophobicContact CG-CE2 3.56Å; M80-F84 WeakPolarHBondContact O-CD2 3.24Å; M80-F84 PolarHBondContact O-N 3.31Å; M80-F84 HydrophobicContact SD-CE2 4.29Å |
| 81 | R | 94.4 | Very high | 92.8 | Very high | 136 Ų | 136 | 83 Ų | 83 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | -178 | -73.3 | 171.6 | 175.4 | -173.9 | 0.2 | 111.8 | E77 W78 F85 | E77-R81 VanDerWaalsContact O-CG 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.27Å; E77-R81 PolarHBondContact O-N 3.45Å; E77-R81 IonicContact OE1-CZ 3.55Å; E77-R81 IonicContact OE1-NE 3.04Å; E77-R81 IonicContact OE1-NH1 2.85Å; E77-R81 IonicContact OE1-NH2 3.42Å; E77-R81 PolarHBondContact OE1-NH2 3.3Å; W78-R81 PolarHBondContact O-N 2.99Å; R81-F85 WeakPolarHBondContact O-CB 3.27Å; R81-F85 PolarHBondContact O-N 3.3Å |
| 82 | M | 95.8 | Very high | 93.3 | Very high | 80 Ų | 80 | 81.9 Ų | 81.9 | 39% | 0.394 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 179.8 | -66.1 | -68.9 | -80.6 | 0 | 0 | 111.5 | W78 N79 M80 F85 F86 | W78-M82 HydrophobicContact CE3-CG 4.02Å; W78-M82 HydrophobicContact CE3-SD 4.25Å; W78-M82 HydrophobicContact CZ3-CG 4.49Å; W78-M82 HydrophobicContact CZ3-SD 4.12Å; W78-M82 WeakPolarHBondContact O-CB 3.46Å; W78-M82 WeakPolarHBondContact O-CG 3.34Å; W78-M82 PolarHBondContact O-N 3.08Å; N79-M82 PolarHBondContact O-N 3.01Å; M80-M82 VanDerWaalsContact C-N 3.33Å; M80-M82 PolarHBondContact O-N 3.25Å; M82-F85 PolarHBondContact O-N 3.05Å; M82-F86 HydrophobicContact CB-CD2 4.45Å; M82-F86 HydrophobicContact CE-CD2 4.05Å; M82-F86 HydrophobicContact CE-CE2 3.41Å; M82-F86 VanDerWaalsContact CE-CE2 3.41Å; M82-F86 HydrophobicContact CE-CZ 4.37Å; M82-F86 WeakPolarHBondContact O-CB 3.42Å; M82-F86 WeakPolarHBondContact O-CD2 2.92Å; M82-F86 PolarHBondContact O-N 3.06Å; M82-F86 HydrophobicContact SD-CD2 4.28Å; M82-F86 HydrophobicContact SD-CE2 3.76Å |
| 83 | A | 94.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 80.9 Ų | 80.9 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F69 N79 M80 G87 | F69-A83 HydrophobicContact CE1-CB 4.06Å; F69-A83 HydrophobicContact CZ-CB 4.22Å; N79-A83 WeakPolarHBondContact O-CB 3.25Å; N79-A83 PolarHBondContact O-N 2.75Å; M80-A83 PolarHBondContact O-N 2.83Å; A83-G87 VanDerWaalsContact O-CA 3.25Å; A83-G87 WeakPolarHBondContact O-CA 3.35Å; A83-G87 PolarHBondContact O-N 3.4Å |
| 84 | F | 93.8 | Very high | 94 | Very high | 115 Ų | 115 | 80.9 Ų | 80.9 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.2 | -38.2 | 178.4 | -76 | -61.7 | 0 | 0 | 0 | 112.7 | M80 I88 S89 | M80-F84 HydrophobicContact CG-CD2 3.55Å; M80-F84 HydrophobicContact CG-CE2 3.56Å; M80-F84 WeakPolarHBondContact O-CD2 3.24Å; M80-F84 PolarHBondContact O-N 3.31Å; M80-F84 HydrophobicContact SD-CE2 4.29Å; F84-I88 HydrophobicContact CD1-CD1 3.51Å; F84-I88 HydrophobicContact CD1-CG1 4.11Å; F84-I88 HydrophobicContact CE1-CD1 3.98Å; F84-I88 WeakPolarHBondContact O-CA 3.37Å; F84-I88 WeakPolarHBondContact O-CB 3.44Å; F84-I88 PolarHBondContact O-N 3.48Å; F84-S89 PolarHBondContact O-N 3.25Å |
| 85 | F | 95.1 | Very high | 94.3 | Very high | 107 Ų | 107 | 77.4 Ų | 77.4 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | I | π-helix | trans | -66.1 | -57.7 | 177.1 | -178 | -102.5 | 0 | 0 | 0 | 111 | R81 M82 S89 M90 | R81-F85 WeakPolarHBondContact O-CB 3.27Å; R81-F85 PolarHBondContact O-N 3.3Å; M82-F85 PolarHBondContact O-N 3.05Å; F85-S89 WeakPolarHBondContact CA-OG 3.45Å; F85-S89 WeakPolarHBondContact CD2-OG 3.23Å; F85-S89 WeakPolarHBondContact CE2-OG 3.48Å; F85-S89 CarbonylContact O-C 3.55Å; F85-S89 WeakPolarHBondContact O-CA 3.17Å; F85-S89 WeakPolarHBondContact O-CB 3.4Å; F85-S89 PolarHBondContact O-N 2.86Å; F85-S89 PolarHBondContact O-OG 3.31Å; F85-M90 HydrophobicContact CE1-CE 4.1Å; F85-M90 HydrophobicContact CZ-CE 4.17Å; F85-M90 PolarHBondContact O-N 2.88Å |
| 86 | F | 95.7 | Very high | 94.5 | Very high | 105 Ų | 105 | 75.4 Ų | 75.4 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -72.2 | -34.6 | -177.6 | -72.9 | -74.6 | 0 | 0 | 0 | 113.1 | M82 M90 A91 | M82-F86 HydrophobicContact CB-CD2 4.45Å; M82-F86 HydrophobicContact CE-CD2 4.05Å; M82-F86 HydrophobicContact CE-CE2 3.41Å; M82-F86 VanDerWaalsContact CE-CE2 3.41Å; M82-F86 HydrophobicContact CE-CZ 4.37Å; M82-F86 WeakPolarHBondContact O-CB 3.42Å; M82-F86 WeakPolarHBondContact O-CD2 2.92Å; M82-F86 PolarHBondContact O-N 3.06Å; M82-F86 HydrophobicContact SD-CD2 4.28Å; M82-F86 HydrophobicContact SD-CE2 3.76Å; F86-M90 HydrophobicContact CD1-CB 4.34Å; F86-M90 WeakPolarHBondContact O-CB 3.46Å; F86-A91 WeakPolarHBondContact O-CB 3.35Å; F86-A91 PolarHBondContact O-N 3Å |
| 87 | G | 95.4 | Very high | 94.6 | Very high | 34 Ų | 34 | 78.6 Ų | 78.6 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | I | π-helix | trans | -72.7 | -61.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A83 A91 I92 | A83-G87 VanDerWaalsContact O-CA 3.25Å; A83-G87 WeakPolarHBondContact O-CA 3.35Å; A83-G87 PolarHBondContact O-N 3.4Å; G87-A91 WeakPolarHBondContact O-CB 3.37Å; G87-A91 PolarHBondContact O-N 3.4Å; G87-I92 WeakPolarHBondContact O-CG1 3.33Å; G87-I92 PolarHBondContact O-N 2.95Å; G87-I92 VanDerWaalsContact O-N 3.16Å |
| 88 | I | 93.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 82 Ų | 82 | 44% | 0.441 | 44% | 0.438 | S | S | . | . | I | π-helix | trans | -81.4 | -57.8 | -174.4 | -54.3 | -172.5 | 0 | 0 | 0 | 110.5 | F84 I92 V93 | F84-I88 HydrophobicContact CD1-CD1 3.51Å; F84-I88 HydrophobicContact CD1-CG1 4.11Å; F84-I88 HydrophobicContact CE1-CD1 3.98Å; F84-I88 WeakPolarHBondContact O-CA 3.37Å; F84-I88 WeakPolarHBondContact O-CB 3.44Å; F84-I88 PolarHBondContact O-N 3.48Å; I88-I92 HydrophobicContact CG1-CD1 4.46Å; I88-I92 WeakPolarHBondContact O-CB 3.33Å; I88-I92 PolarHBondContact O-N 3.07Å; I88-V93 PolarHBondContact O-N 3.43Å; I88-V93 VanDerWaalsContact O-N 3.12Å |
| 89 | S | 93.9 | Very high | 94.7 | Very high | 44 Ų | 44 | 80.8 Ų | 80.8 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | I | π-helix | trans | -71.3 | -40.9 | -170.3 | 81 | 0 | 0 | 0 | 0 | 112.6 | F84 F85 V93 V94 | F84-S89 PolarHBondContact O-N 3.25Å; F85-S89 WeakPolarHBondContact CA-OG 3.45Å; F85-S89 WeakPolarHBondContact CD2-OG 3.23Å; F85-S89 WeakPolarHBondContact CE2-OG 3.48Å; F85-S89 CarbonylContact O-C 3.55Å; F85-S89 WeakPolarHBondContact O-CA 3.17Å; F85-S89 WeakPolarHBondContact O-CB 3.4Å; F85-S89 PolarHBondContact O-N 2.86Å; F85-S89 PolarHBondContact O-OG 3.31Å; S89-V93 WeakPolarHBondContact O-CB 3.4Å; S89-V94 PolarHBondContact O-N 3.1Å |
| 90 | M | 94.1 | Very high | 94.7 | Very high | 81 Ų | 81 | 83.8 Ų | 83.8 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | I | π-helix | trans | -84.5 | -62.2 | 179.3 | -162.7 | 68 | 68.4 | 0 | 0 | 111.2 | F85 F86 V94 G95 | F85-M90 HydrophobicContact CE1-CE 4.1Å; F85-M90 HydrophobicContact CZ-CE 4.17Å; F85-M90 PolarHBondContact O-N 2.88Å; F86-M90 HydrophobicContact CD1-CB 4.34Å; F86-M90 WeakPolarHBondContact O-CB 3.46Å; M90-V94 WeakPolarHBondContact O-CA 3.19Å; M90-V94 WeakPolarHBondContact O-CB 3.34Å; M90-V94 PolarHBondContact O-N 3.45Å; M90-V94 HydrophobicContact SD-CB 4.2Å; M90-V94 HydrophobicContact SD-CG2 3.84Å; M90-G95 PolarHBondContact O-N 3.12Å; M90-G95 VanDerWaalsContact O-N 3.16Å |
| 91 | A | 94.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 90.5 Ų | 90.5 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -69.3 | -44.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F86 G87 G95 | F86-A91 WeakPolarHBondContact O-CB 3.35Å; F86-A91 PolarHBondContact O-N 3Å; G87-A91 WeakPolarHBondContact O-CB 3.37Å; G87-A91 PolarHBondContact O-N 3.4Å; A91-G95 WeakPolarHBondContact O-CA 3.41Å; A91-G95 PolarHBondContact O-N 3.29Å |
| 92 | I | 95.6 | Very high | 94.5 | Very high | 115 Ų | 115 | 87.2 Ų | 87.2 | 59% | 0.59 | 47% | 0.469 | S | S | * | . | I | π-helix | trans | -77.6 | -52.9 | -178.7 | -60.7 | 174.6 | 0 | 0 | 0 | 111.3 | G87 I88 G96 | G87-I92 WeakPolarHBondContact O-CG1 3.33Å; G87-I92 PolarHBondContact O-N 2.95Å; G87-I92 VanDerWaalsContact O-N 3.16Å; I88-I92 HydrophobicContact CG1-CD1 4.46Å; I88-I92 WeakPolarHBondContact O-CB 3.33Å; I88-I92 PolarHBondContact O-N 3.07Å; I92-G96 WeakPolarHBondContact O-CA 3.48Å; I92-G96 PolarHBondContact O-N 3.41Å |
| 93 | V | 96.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 89 Ų | 89 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -74.3 | -57.2 | -175.2 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | I88 S89 G96 T97 | I88-V93 PolarHBondContact O-N 3.43Å; I88-V93 VanDerWaalsContact O-N 3.12Å; S89-V93 WeakPolarHBondContact O-CB 3.4Å; V93-G96 PolarHBondContact O-N 3.27Å; V93-T97 WeakPolarHBondContact O-CG2 3.44Å; V93-T97 PolarHBondContact O-N 2.56Å; V93-T97 PolarHBondContact O-OG1 3.16Å |
| 94 | V | 95.8 | Very high | 93.8 | Very high | 75 Ų | 75 | 89.3 Ų | 89.3 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | I | π-helix | trans | -65.3 | -44.7 | -179.6 | -176 | 0 | 0 | 0 | 0 | 110.4 | S89 M90 G96 T97 F98 | S89-V94 PolarHBondContact O-N 3.1Å; M90-V94 WeakPolarHBondContact O-CA 3.19Å; M90-V94 WeakPolarHBondContact O-CB 3.34Å; M90-V94 PolarHBondContact O-N 3.45Å; M90-V94 HydrophobicContact SD-CB 4.2Å; M90-V94 HydrophobicContact SD-CG2 3.84Å; V94-G96 VanDerWaalsContact C-N 3.35Å; V94-G96 PolarHBondContact O-N 3.05Å; V94-T97 WeakPolarHBondContact CA-OG1 3.1Å; V94-T97 PolarHBondContact O-N 3.27Å; V94-T97 PolarHBondContact O-OG1 2.81Å; V94-F98 WeakPolarHBondContact O-CB 3.44Å; V94-F98 PolarHBondContact O-N 3.07Å |
| 95 | G | 95.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 90.7 Ų | 90.7 | 27% | 0.268 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M90 A91 F98 I99 | M90-G95 PolarHBondContact O-N 3.12Å; M90-G95 VanDerWaalsContact O-N 3.16Å; A91-G95 WeakPolarHBondContact O-CA 3.41Å; A91-G95 PolarHBondContact O-N 3.29Å; G95-F98 WeakPolarHBondContact O-CB 3.15Å; G95-F98 PolarHBondContact O-N 2.92Å; G95-I99 WeakPolarHBondContact O-CG1 3.5Å; G95-I99 PolarHBondContact O-N 2.83Å |
| 96 | G | 95.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 88.5 Ų | 88.5 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I92 V93 V94 F98 I99 H100 | I92-G96 WeakPolarHBondContact O-CA 3.48Å; I92-G96 PolarHBondContact O-N 3.41Å; V93-G96 PolarHBondContact O-N 3.27Å; V94-G96 VanDerWaalsContact C-N 3.35Å; V94-G96 PolarHBondContact O-N 3.05Å; G96-F98 VanDerWaalsContact C-N 3.31Å; G96-F98 PolarHBondContact O-N 3.42Å; G96-I99 PolarHBondContact O-N 3.21Å; G96-H100 WeakPolarHBondContact O-CB 3.33Å; G96-H100 PolarHBondContact O-N 3.16Å |
| 97 | T | 95 | Very high | 93.1 | Very high | 69 Ų | 69 | 88.5 Ų | 88.5 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | V93 V94 H100 Y101 | V93-T97 WeakPolarHBondContact O-CG2 3.44Å; V93-T97 PolarHBondContact O-N 2.56Å; V93-T97 PolarHBondContact O-OG1 3.16Å; V94-T97 WeakPolarHBondContact CA-OG1 3.1Å; V94-T97 PolarHBondContact O-N 3.27Å; V94-T97 PolarHBondContact O-OG1 2.81Å; T97-H100 PolarHBondContact O-N 3.06Å; T97-Y101 VanDerWaalsContact O-CD2 3.24Å; T97-Y101 WeakPolarHBondContact O-CD2 3.48Å; T97-Y101 PolarHBondContact O-N 2.86Å |
| 98 | F | 95.2 | Very high | 93 | Very high | 146 Ų | 146 | 96 Ų | 96 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.5 | -54.9 | 175.5 | -175.9 | -100.8 | 0 | 0 | 0 | 110 | V94 G95 G96 H100 Y101 L102 | V94-F98 WeakPolarHBondContact O-CB 3.44Å; V94-F98 PolarHBondContact O-N 3.07Å; G95-F98 WeakPolarHBondContact O-CB 3.15Å; G95-F98 PolarHBondContact O-N 2.92Å; G96-F98 VanDerWaalsContact C-N 3.31Å; G96-F98 PolarHBondContact O-N 3.42Å; F98-H100 VanDerWaalsContact C-N 3.27Å; F98-H100 PolarHBondContact O-N 2.88Å; F98-Y101 CarbonylContact O-C 3.49Å; F98-Y101 PolarHBondContact O-N 2.86Å; F98-Y101 VanDerWaalsContact O-N 3.07Å; F98-L102 VanDerWaalsContact C-CD1 3.47Å; F98-L102 HydrophobicContact CD1-CD1 3.54Å; F98-L102 HydrophobicContact CE1-CD1 3.54Å; F98-L102 HydrophobicContact CG-CD1 4.16Å; F98-L102 HydrophobicContact CZ-CD1 4.16Å; F98-L102 WeakPolarHBondContact O-CD1 3.42Å; F98-L102 PolarHBondContact O-N 2.92Å |
| 99 | I | 93.6 | Very high | 93 | Very high | 126 Ų | 126 | 97.3 Ų | 97.3 | 65% | 0.646 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -52.6 | -44.4 | 177.2 | -67.7 | 168.8 | 0 | 0 | 0 | 111.7 | G95 G96 Y101 L102 | G95-I99 WeakPolarHBondContact O-CG1 3.5Å; G95-I99 PolarHBondContact O-N 2.83Å; G96-I99 PolarHBondContact O-N 3.21Å; I99-Y101 VanDerWaalsContact C-N 3.33Å; I99-Y101 PolarHBondContact O-N 2.95Å; I99-L102 PolarHBondContact O-N 3.46Å |
| 100 | H | 92.7 | Very high | 93.1 | Very high | 144 Ų | 144 | 101 Ų | 101 | 67% | 0.667 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.4 | -33.5 | -178.4 | -173.4 | -79.9 | 0 | 0 | 0 | 113.3 | G96 T97 F98 | G96-H100 WeakPolarHBondContact O-CB 3.33Å; G96-H100 PolarHBondContact O-N 3.16Å; T97-H100 PolarHBondContact O-N 3.06Å; F98-H100 VanDerWaalsContact C-N 3.27Å; F98-H100 PolarHBondContact O-N 2.88Å |
| 101 | Y | 92.8 | Very high | 93.2 | Very high | 184 Ų | 184 | 99.3 Ų | 99.3 | 72% | 0.722 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 14.1 | -179.2 | -70.1 | -71.5 | 0 | 0 | 0 | 113.4 | T97 F98 I99 | T97-Y101 VanDerWaalsContact O-CD2 3.24Å; T97-Y101 WeakPolarHBondContact O-CD2 3.48Å; T97-Y101 PolarHBondContact O-N 2.86Å; F98-Y101 CarbonylContact O-C 3.49Å; F98-Y101 PolarHBondContact O-N 2.86Å; F98-Y101 VanDerWaalsContact O-N 3.07Å; I99-Y101 VanDerWaalsContact C-N 3.33Å; I99-Y101 PolarHBondContact O-N 2.95Å |
| 102 | L | 89.5 | Confident | 93.4 | Very high | 67 Ų | 67 | 103.7 Ų | 103.7 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -56.3 | 138.2 | 171.3 | -101.9 | 67.8 | 0 | 0 | 0 | 109.7 | F98 I99 D104 | F98-L102 VanDerWaalsContact C-CD1 3.47Å; F98-L102 HydrophobicContact CD1-CD1 3.54Å; F98-L102 HydrophobicContact CE1-CD1 3.54Å; F98-L102 HydrophobicContact CG-CD1 4.16Å; F98-L102 HydrophobicContact CZ-CD1 4.16Å; F98-L102 WeakPolarHBondContact O-CD1 3.42Å; F98-L102 PolarHBondContact O-N 2.92Å; I99-L102 PolarHBondContact O-N 3.46Å; L102-D104 PolarHBondContact O-N 3.17Å |
| 103 | P | 88.7 | Confident | 93.5 | Very high | 116 Ų | 116 | 105.6 Ų | 105.6 | 75% | 0.753 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -57.7 | 140.7 | 171.9 | 26.3 | -33.3 | 0 | 0 | 0 | 109.4 | H105 | P103-H105 PolarHBondContact O-N 3.41Š|
| 104 | D | 88 | Confident | 93.5 | Very high | 51 Ų | 51 | 103.7 Ų | 103.7 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | trans | -20.8 | 89.9 | -173.3 | -175.5 | 19.4 | 0 | 0 | 0 | 114.6 | L102 G106 M107 R108 Q109 W110 | L102-D104 PolarHBondContact O-N 3.17Å; D104-G106 PolarHBondContact O-N 2.58Å; D104-G106 VanDerWaalsContact O-N 3.1Å; D104-M107 PolarHBondContact O-N 3.45Å; D104-M107 VanDerWaalsContact OD2-CA 3.27Å; D104-M107 WeakPolarHBondContact OD2-CA 3.34Å; D104-R108 VanDerWaalsContact CG-N 3.34Å; D104-R108 PolarHBondContact OD1-N 3.07Å; D104-R108 PolarHBondContact OD2-N 2.88Å; D104-R108 VanDerWaalsContact OD2-N 3.11Å; D104-Q109 HydrophobicContact CB-CB 4.48Å; D104-Q109 VanDerWaalsContact CG-N 3.31Å; D104-Q109 PolarHBondContact OD1-N 3.34Å; D104-Q109 VanDerWaalsContact OD1-N 3.08Å; D104-Q109 WeakPolarHBondContact OD2-CA 3.37Å; D104-Q109 VanDerWaalsContact OD2-CB 3.32Å; D104-Q109 WeakPolarHBondContact OD2-CB 3.32Å; D104-Q109 PolarHBondContact OD2-N 2.93Å; D104-W110 PolarHBondContact OD2-N 3.17Å | ||
| 105 | H | 86.2 | Confident | 93.6 | Very high | 145 Ų | 145 | 102.3 Ų | 102.3 | 67% | 0.671 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 113.3 | -173.9 | -177.2 | -79 | 0 | 0 | 0 | 110.1 | P103 | P103-H105 PolarHBondContact O-N 3.41Š|
| 106 | G | 90 | Very high | 93.7 | Very high | 60 Ų | 60 | 105.3 Ų | 105.3 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 22 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D104 R108 | D104-G106 PolarHBondContact O-N 2.58Å; D104-G106 VanDerWaalsContact O-N 3.1Å; G106-R108 PolarHBondContact O-N 3.27Å; G106-R108 VanDerWaalsContact O-N 3.08Å |
| 107 | M | 94.4 | Very high | 93.8 | Very high | 106 Ų | 106 | 109.8 Ų | 109.8 | 52% | 0.522 | 53% | 0.526 | S | S | . | . | S | Bend | trans | 54.3 | 32.2 | 171.4 | -62.7 | -70.7 | -87.9 | 0 | 0 | 113.6 | D104 W110 A111 | D104-M107 PolarHBondContact O-N 3.45Å; D104-M107 VanDerWaalsContact OD2-CA 3.27Å; D104-M107 WeakPolarHBondContact OD2-CA 3.34Å; M107-W110 HydrophobicContact CB-CB 4.23Å; M107-W110 HydrophobicContact CB-CE3 4.3Å; M107-W110 HydrophobicContact CE-CB 4.05Å; M107-W110 HydrophobicContact CE-CD2 3.96Å; M107-W110 HydrophobicContact CE-CE3 4.39Å; M107-W110 HydrophobicContact CE-CG 3.76Å; M107-W110 PolarHBondContact O-N 3Å; M107-W110 HydrophobicContact SD-CB 4.27Å; M107-A111 VanDerWaalsContact O-CB 3.23Å; M107-A111 WeakPolarHBondContact O-CB 3.21Å; M107-A111 PolarHBondContact O-N 2.84Å |
| 108 | R | 93.1 | Very high | 93.8 | Very high | 192 Ų | 192 | 109 Ų | 109 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72 | -44.6 | -174.1 | -67.4 | -179.3 | 176 | -178.7 | -0.8 | 111.7 | D104 G106 W110 A111 R112 | D104-R108 VanDerWaalsContact CG-N 3.34Å; D104-R108 PolarHBondContact OD1-N 3.07Å; D104-R108 PolarHBondContact OD2-N 2.88Å; D104-R108 VanDerWaalsContact OD2-N 3.11Å; G106-R108 PolarHBondContact O-N 3.27Å; G106-R108 VanDerWaalsContact O-N 3.08Å; R108-W110 VanDerWaalsContact C-N 3.31Å; R108-A111 PolarHBondContact O-N 3.4Å; R108-R112 WeakPolarHBondContact O-CB 3.25Å; R108-R112 PolarHBondContact O-N 3Å |
| 109 | Q | 93.8 | Very high | 93.9 | Very high | 113 Ų | 113 | 105.4 Ų | 105.4 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -34 | 176 | -56.3 | -62.8 | -17 | 0 | 0 | 111.1 | D104 R113 | D104-Q109 HydrophobicContact CB-CB 4.48Å; D104-Q109 VanDerWaalsContact CG-N 3.31Å; D104-Q109 PolarHBondContact OD1-N 3.34Å; D104-Q109 VanDerWaalsContact OD1-N 3.08Å; D104-Q109 WeakPolarHBondContact OD2-CA 3.37Å; D104-Q109 VanDerWaalsContact OD2-CB 3.32Å; D104-Q109 WeakPolarHBondContact OD2-CB 3.32Å; D104-Q109 PolarHBondContact OD2-N 2.93Å; Q109-R113 WeakPolarHBondContact O-CG 3.44Å; Q109-R113 PolarHBondContact O-N 3.24Å; Q109-R113 VanDerWaalsContact O-N 3.17Å; Q109-R113 PolarHBondContact O-NE 3.13Å |
| 110 | W | 95.7 | Very high | 94.1 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -52.2 | 170.2 | 177 | 86.3 | 0 | 0 | 0 | 111.5 | D104 M107 R108 R112 R113 E114 | D104-W110 PolarHBondContact OD2-N 3.17Å; M107-W110 HydrophobicContact CB-CB 4.23Å; M107-W110 HydrophobicContact CB-CE3 4.3Å; M107-W110 HydrophobicContact CE-CB 4.05Å; M107-W110 HydrophobicContact CE-CD2 3.96Å; M107-W110 HydrophobicContact CE-CE3 4.39Å; M107-W110 HydrophobicContact CE-CG 3.76Å; M107-W110 PolarHBondContact O-N 3Å; M107-W110 HydrophobicContact SD-CB 4.27Å; R108-W110 VanDerWaalsContact C-N 3.31Å; W110-R112 VanDerWaalsContact C-N 3.26Å; W110-R112 PolarHBondContact O-N 3.42Å; W110-R113 PolarHBondContact O-N 3.5Å; W110-R113 VanDerWaalsContact O-N 3.1Å; W110-E114 HydrophobicContact CH2-CB 4.3Å; W110-E114 HydrophobicContact CH2-CG 4.06Å; W110-E114 HydrophobicContact CZ2-CB 4.17Å; W110-E114 HydrophobicContact CZ2-CG 4Å; W110-E114 WeakPolarHBondContact O-CB 3.18Å; W110-E114 PolarHBondContact O-N 3.49Å |
| 111 | A | 96.9 | Very high | 94.3 | Very high | 47 Ų | 47 | 101.7 Ų | 101.7 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M107 R108 E114 A115 | M107-A111 VanDerWaalsContact O-CB 3.23Å; M107-A111 WeakPolarHBondContact O-CB 3.21Å; M107-A111 PolarHBondContact O-N 2.84Å; R108-A111 PolarHBondContact O-N 3.4Å; A111-E114 PolarHBondContact O-N 2.99Å; A111-A115 VanDerWaalsContact O-CB 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 2.91Å |
| 112 | R | 97 | Very high | 94.4 | Very high | 156 Ų | 156 | 97.8 Ų | 97.8 | 59% | 0.589 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.4 | -50.8 | 173.4 | -178.8 | 178.1 | 173.6 | -175.3 | 3.1 | 112.2 | R108 W110 E114 A115 E116 | R108-R112 WeakPolarHBondContact O-CB 3.25Å; R108-R112 PolarHBondContact O-N 3Å; W110-R112 VanDerWaalsContact C-N 3.26Å; W110-R112 PolarHBondContact O-N 3.42Å; R112-E114 VanDerWaalsContact C-N 3.29Å; R112-E114 PolarHBondContact O-N 2.94Å; R112-A115 PolarHBondContact O-N 3.4Å; R112-E116 WeakPolarHBondContact CG-OE1 3.43Å; R112-E116 IonicContact CZ-OE1 2.58Å; R112-E116 IonicContact NE-OE1 3.57Å; R112-E116 PolarHBondContact NE-OE1 3.05Å; R112-E116 IonicContact NH2-OE1 3.62Å; R112-E116 PolarHBondContact NH2-OE1 3.4Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 3.04Å |
| 113 | R | 97.8 | Very high | 94.7 | Very high | 154 Ų | 154 | 100.3 Ų | 100.3 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 178.9 | -74.9 | -179.3 | -69.4 | 142.9 | -5.8 | 111.8 | Q109 W110 R117 | Q109-R113 WeakPolarHBondContact O-CG 3.44Å; Q109-R113 PolarHBondContact O-N 3.24Å; Q109-R113 VanDerWaalsContact O-N 3.17Å; Q109-R113 PolarHBondContact O-NE 3.13Å; W110-R113 PolarHBondContact O-N 3.5Å; W110-R113 VanDerWaalsContact O-N 3.1Å; R113-R117 WeakPolarHBondContact O-CB 3.34Å; R113-R117 PolarHBondContact O-N 3.4Å |
| 114 | E | 97.5 | Very high | 95.1 | Very high | 45 Ų | 45 | 99.1 Ų | 99.1 | 21% | 0.21 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 178 | -173.7 | 59.9 | -169.4 | 0 | 0 | 111.6 | W110 A111 R112 R117 L118 | W110-E114 HydrophobicContact CH2-CB 4.3Å; W110-E114 HydrophobicContact CH2-CG 4.06Å; W110-E114 HydrophobicContact CZ2-CB 4.17Å; W110-E114 HydrophobicContact CZ2-CG 4Å; W110-E114 WeakPolarHBondContact O-CB 3.18Å; W110-E114 PolarHBondContact O-N 3.49Å; A111-E114 PolarHBondContact O-N 2.99Å; R112-E114 VanDerWaalsContact C-N 3.29Å; R112-E114 PolarHBondContact O-N 2.94Å; E114-R117 WeakPolarHBondContact O-CB 3.22Å; E114-R117 PolarHBondContact O-N 3.34Å; E114-R117 IonicContact OE1-CZ 3.48Å; E114-R117 IonicContact OE1-NE 3.43Å; E114-R117 PolarHBondContact OE1-NE 3.39Å; E114-R117 IonicContact OE1-NH2 2.7Å; E114-R117 PolarHBondContact OE1-NH2 2.88Å; E114-R117 IonicContact OE2-CZ 3.56Å; E114-R117 IonicContact OE2-NE 2.89Å; E114-R117 PolarHBondContact OE2-NE 2.76Å; E114-R117 IonicContact OE2-NH2 3.49Å; E114-R117 PolarHBondContact OE2-NH2 2.97Å; E114-L118 HydrophobicContact CG-CD1 4.24Å; E114-L118 WeakPolarHBondContact O-CB 3.45Å; E114-L118 WeakPolarHBondContact O-CG 3.3Å; E114-L118 PolarHBondContact O-N 2.87Å |
| 115 | A | 96.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 99.9 Ų | 99.9 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A111 R112 R117 L118 I119 | A111-A115 VanDerWaalsContact O-CB 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 2.91Å; R112-A115 PolarHBondContact O-N 3.4Å; A115-R117 VanDerWaalsContact C-N 3.29Å; A115-R117 PolarHBondContact O-N 2.73Å; A115-L118 PolarHBondContact O-N 3.25Å; A115-I119 WeakPolarHBondContact O-CB 3.22Å; A115-I119 WeakPolarHBondContact O-CD1 3.28Å; A115-I119 WeakPolarHBondContact O-CG1 3.24Å; A115-I119 PolarHBondContact O-N 3.3Å |
| 116 | E | 97.4 | Very high | 95.8 | Very high | 90 Ų | 90 | 96.3 Ų | 96.3 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 176 | -72.9 | 170.5 | -174.3 | 0 | 0 | 111 | R112 T120 | R112-E116 WeakPolarHBondContact CG-OE1 3.43Å; R112-E116 IonicContact CZ-OE1 2.58Å; R112-E116 IonicContact NE-OE1 3.57Å; R112-E116 PolarHBondContact NE-OE1 3.05Å; R112-E116 IonicContact NH2-OE1 3.62Å; R112-E116 PolarHBondContact NH2-OE1 3.4Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 3.04Å; E116-T120 PolarHBondContact O-N 3.24Å; E116-T120 PolarHBondContact O-OG1 3.36Å |
| 117 | R | 97.3 | Very high | 95.9 | Very high | 128 Ų | 128 | 99 Ų | 99 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 176.1 | -174 | -180 | 83 | 107.3 | 5.5 | 112.6 | R113 E114 A115 Q121 | R113-R117 WeakPolarHBondContact O-CB 3.34Å; R113-R117 PolarHBondContact O-N 3.4Å; E114-R117 WeakPolarHBondContact O-CB 3.22Å; E114-R117 PolarHBondContact O-N 3.34Å; E114-R117 IonicContact OE1-CZ 3.48Å; E114-R117 IonicContact OE1-NE 3.43Å; E114-R117 PolarHBondContact OE1-NE 3.39Å; E114-R117 IonicContact OE1-NH2 2.7Å; E114-R117 PolarHBondContact OE1-NH2 2.88Å; E114-R117 IonicContact OE2-CZ 3.56Å; E114-R117 IonicContact OE2-NE 2.89Å; E114-R117 PolarHBondContact OE2-NE 2.76Å; E114-R117 IonicContact OE2-NH2 3.49Å; E114-R117 PolarHBondContact OE2-NH2 2.97Å; A115-R117 VanDerWaalsContact C-N 3.29Å; A115-R117 PolarHBondContact O-N 2.73Å; R117-Q121 WeakPolarHBondContact O-CG 3.29Å; R117-Q121 PolarHBondContact O-N 2.92Å; R117-Q121 VanDerWaalsContact O-N 3.15Å |
| 118 | L | 96.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 100.9 Ų | 100.9 | 28% | 0.283 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | -177.8 | -71.5 | 174.7 | 0 | 0 | 0 | 112.4 | E114 A115 Q121 R122 | E114-L118 HydrophobicContact CG-CD1 4.24Å; E114-L118 WeakPolarHBondContact O-CB 3.45Å; E114-L118 WeakPolarHBondContact O-CG 3.3Å; E114-L118 PolarHBondContact O-N 2.87Å; A115-L118 PolarHBondContact O-N 3.25Å; L118-Q121 PolarHBondContact O-N 3.06Å; L118-R122 WeakPolarHBondContact O-CB 3.46Å; L118-R122 WeakPolarHBondContact O-CG 3.32Å; L118-R122 PolarHBondContact O-N 3.49Å |
| 119 | I | 96.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 96 Ų | 96 | 36% | 0.359 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 175.9 | -71.5 | 165 | 0 | 0 | 0 | 109.8 | A115 Q121 R122 E123 L129 | A115-I119 WeakPolarHBondContact O-CB 3.22Å; A115-I119 WeakPolarHBondContact O-CD1 3.28Å; A115-I119 WeakPolarHBondContact O-CG1 3.24Å; A115-I119 PolarHBondContact O-N 3.3Å; I119-Q121 VanDerWaalsContact C-N 3.28Å; I119-Q121 PolarHBondContact O-N 3.21Å; I119-R122 PolarHBondContact O-N 3.17Å; I119-R122 VanDerWaalsContact O-N 3.16Å; I119-E123 HydrophobicContact CG2-CG 4.26Å; I119-E123 WeakPolarHBondContact CG2-OE1 3.29Å; I119-E123 WeakPolarHBondContact O-CB 3.36Å; I119-E123 WeakPolarHBondContact O-CG 3.31Å; I119-E123 PolarHBondContact O-N 3.17Å; I119-L129 HydrophobicContact CB-CD2 4.48Å; I119-L129 HydrophobicContact CG1-CD2 4.39Å; I119-L129 HydrophobicContact CG2-CD2 3.92Å |
| 120 | T | 96.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | 178.8 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | E116 A124 | E116-T120 PolarHBondContact O-N 3.24Å; E116-T120 PolarHBondContact O-OG1 3.36Å; T120-A124 VanDerWaalsContact O-CB 3.32Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.14Å; T120-A124 VanDerWaalsContact O-N 3.08Å |
| 121 | Q | 97 | Very high | 95.3 | Very high | 100 Ų | 100 | 99.2 Ų | 99.2 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 177.5 | -73.7 | 175.5 | 2.5 | 0 | 0 | 112.4 | R117 L118 I119 A125 | R117-Q121 WeakPolarHBondContact O-CG 3.29Å; R117-Q121 PolarHBondContact O-N 2.92Å; R117-Q121 VanDerWaalsContact O-N 3.15Å; L118-Q121 PolarHBondContact O-N 3.06Å; I119-Q121 VanDerWaalsContact C-N 3.28Å; I119-Q121 PolarHBondContact O-N 3.21Å; Q121-A125 PolarHBondContact O-N 3.3Å |
| 122 | R | 96.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 106 Ų | 106 | 38% | 0.381 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | -179.7 | -74 | -176.5 | 179.1 | 140.5 | 4.7 | 112.5 | L118 I119 A124 A125 G126 L127 L129 | L118-R122 WeakPolarHBondContact O-CB 3.46Å; L118-R122 WeakPolarHBondContact O-CG 3.32Å; L118-R122 PolarHBondContact O-N 3.49Å; I119-R122 PolarHBondContact O-N 3.17Å; I119-R122 VanDerWaalsContact O-N 3.16Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.25Å; R122-A125 CarbonylContact O-C 3.5Å; R122-A125 PolarHBondContact O-N 2.86Å; R122-G126 PolarHBondContact O-N 3.17Å; R122-L127 PolarHBondContact O-N 3.19Å; R122-L129 WeakPolarHBondContact CD-O 3.45Å; R122-L129 PolarHBondContact NH1-O 2.64Å |
| 123 | E | 95.4 | Very high | 94.9 | Very high | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 175.5 | -72.5 | 178.4 | 167.6 | 0 | 0 | 111.4 | I119 A125 G126 L129 | I119-E123 HydrophobicContact CG2-CG 4.26Å; I119-E123 WeakPolarHBondContact CG2-OE1 3.29Å; I119-E123 WeakPolarHBondContact O-CB 3.36Å; I119-E123 WeakPolarHBondContact O-CG 3.31Å; I119-E123 PolarHBondContact O-N 3.17Å; E123-A125 VanDerWaalsContact C-N 3.26Å; E123-A125 PolarHBondContact O-N 3.17Å; E123-G126 PolarHBondContact O-N 3.47Å; E123-G126 VanDerWaalsContact O-N 3.08Å; E123-L129 HydrophobicContact CG-CD2 3.86Å |
| 124 | A | 96.1 | Very high | 94.6 | Very high | 92 Ų | 92 | 104.9 Ų | 104.9 | 76% | 0.76 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.2 | -32.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | T120 R122 | T120-A124 VanDerWaalsContact O-CB 3.32Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.14Å; T120-A124 VanDerWaalsContact O-N 3.08Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.25Å |
| 125 | A | 95.6 | Very high | 94.3 | Very high | 67 Ų | 67 | 110.5 Ų | 110.5 | 55% | 0.554 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -86.1 | -6.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q121 R122 E123 L127 | Q121-A125 PolarHBondContact O-N 3.3Å; R122-A125 CarbonylContact O-C 3.5Å; R122-A125 PolarHBondContact O-N 2.86Å; E123-A125 VanDerWaalsContact C-N 3.26Å; E123-A125 PolarHBondContact O-N 3.17Å; A125-L127 VanDerWaalsContact C-N 3.27Å; A125-L127 HydrophobicContact CB-CD1 3.27Å; A125-L127 PolarHBondContact O-N 2.74Å |
| 126 | G | 93.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 111.5 Ų | 111.5 | 72% | 0.722 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.1 | 19.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R122 E123 | R122-G126 PolarHBondContact O-N 3.17Å; E123-G126 PolarHBondContact O-N 3.47Å; E123-G126 VanDerWaalsContact O-N 3.08Å |
| 127 | L | 92.2 | Very high | 93.9 | Very high | 115 Ų | 115 | 111 Ų | 111 | 60% | 0.602 | 57% | 0.574 | S | S | * | * | trans | -85.5 | 159.6 | 176 | -74 | 96.2 | 0 | 0 | 0 | 111.4 | R122 A125 | R122-L127 PolarHBondContact O-N 3.19Å; A125-L127 VanDerWaalsContact C-N 3.27Å; A125-L127 HydrophobicContact CB-CD1 3.27Å; A125-L127 PolarHBondContact O-N 2.74Å | ||
| 128 | L | 90.8 | Very high | 93.7 | Very high | 146 Ų | 146 | 109.5 Ų | 109.5 | 76% | 0.764 | 58% | 0.583 | S | S | * | * | trans | -60.4 | 142.5 | 171.2 | -61 | 173.6 | 0 | 0 | 0 | 110.5 | M130 | L128-M130 VanDerWaalsContact C-N 3.28Å; L128-M130 PolarHBondContact O-N 3.12Å | ||
| 129 | L | 90.6 | Very high | 93.5 | Very high | 90 Ų | 90 | 114.8 Ų | 114.8 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -61.4 | -36.5 | -177.2 | -69.3 | 176.6 | 0 | 0 | 0 | 112.9 | I119 R122 E123 | I119-L129 HydrophobicContact CB-CD2 4.48Å; I119-L129 HydrophobicContact CG1-CD2 4.39Å; I119-L129 HydrophobicContact CG2-CD2 3.92Å; R122-L129 WeakPolarHBondContact CD-O 3.45Å; R122-L129 PolarHBondContact NH1-O 2.64Å; E123-L129 HydrophobicContact CG-CD2 3.86Å |
| 130 | M | 92.8 | Very high | 93.2 | Very high | 163 Ų | 163 | 115.7 Ų | 115.7 | 80% | 0.803 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -141.6 | 133.4 | 178.2 | -166.2 | 164.8 | 72 | 0 | 0 | 109.2 | L128 | L128-M130 VanDerWaalsContact C-N 3.28Å; L128-M130 PolarHBondContact O-N 3.12Å |
| 131 | E | 91.3 | Very high | 93 | Very high | 138 Ų | 138 | 118 Ų | 118 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | trans | -82.6 | 144.6 | 174.8 | -167.9 | 171.8 | 178.3 | 0 | 0 | 109.6 | ||||
| 132 | E | 91.1 | Very high | 92.6 | Very high | 189 Ų | 189 | 120.1 Ų | 120.1 | 88% | 0.883 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -66.1 | -41.5 | 176.6 | -177.9 | 172.9 | -171.3 | 0 | 0 | 111.1 | ||
| 133 | N | 93.8 | Very high | 92.3 | Very high | 83 Ų | 83 | 120.7 Ų | 120.7 | 44% | 0.444 | 65% | 0.653 | S | S | . | * | trans | -89.4 | 113 | 176.7 | -64.4 | -41.5 | 0 | 0 | 0 | 109.9 | Y135 | N133-Y135 VanDerWaalsContact C-N 3.32Š| ||
| 134 | Y | 90.6 | Very high | 91.8 | Very high | 203 Ų | 203 | 117.7 Ų | 117.7 | 80% | 0.796 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -69 | -35.2 | 172.8 | -178.6 | -98.5 | 0 | 0 | 0 | 112.1 | ||
| 135 | Y | 92.2 | Very high | 91 | Very high | 164 Ų | 164 | 119.2 Ų | 119.2 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -101.1 | 141.9 | 176.5 | -64.6 | -68.9 | 0 | 0 | 0 | 110 | N133 P137 | N133-Y135 VanDerWaalsContact C-N 3.32Å; Y135-P137 WeakPolarHBondContact O-CD 3.45Å |
| 136 | D | 93.8 | Very high | 89.5 | Confident | 67 Ų | 67 | 119.2 Ų | 119.2 | 36% | 0.358 | 67% | 0.674 | S | S | . | * | trans | -63.4 | 114.8 | 172.1 | -179.7 | -6.7 | 0 | 0 | 0 | 109.5 | S138 K139 | D136-S138 PolarHBondContact O-N 2.81Å; D136-S138 VanDerWaalsContact O-N 3.12Å; D136-S138 WeakPolarHBondContact OD1-CB 3.27Å; D136-S138 PolarHBondContact OD1-N 3.34Å; D136-S138 VanDerWaalsContact OD1-N 3.09Å; D136-S138 PolarHBondContact OD1-OG 3.45Å; D136-S138 PolarHBondContact OD2-OG 3.06Å; D136-S138 VanDerWaalsContact OD2-OG 3.09Å; D136-K139 HydrophobicContact CB-CD 4.03Å; D136-K139 HydrophobicContact CB-CG 4.19Å; D136-K139 PolarHBondContact O-N 3.25Å; D136-K139 VanDerWaalsContact OD2-CE 3.25Å; D136-K139 WeakPolarHBondContact OD2-CE 3.13Å; D136-K139 IonicContact OD2-NZ 3.54Å | ||
| 137 | P | 92.7 | Very high | 87.8 | Confident | 78 Ų | 78 | 124.4 Ų | 124.4 | 51% | 0.506 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -62.9 | -22.4 | -175.1 | 26.3 | -34.7 | 0 | 0 | 0 | 112.2 | Y135 K139 I140 | Y135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-K139 PolarHBondContact O-N 2.74Å; P137-I140 PolarHBondContact O-N 3.14Å |
| 138 | S | 91.9 | Very high | 86.1 | Confident | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -68 | -19.4 | 176.2 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | D136 | D136-S138 PolarHBondContact O-N 2.81Å; D136-S138 VanDerWaalsContact O-N 3.12Å; D136-S138 WeakPolarHBondContact OD1-CB 3.27Å; D136-S138 PolarHBondContact OD1-N 3.34Å; D136-S138 VanDerWaalsContact OD1-N 3.09Å; D136-S138 PolarHBondContact OD1-OG 3.45Å; D136-S138 PolarHBondContact OD2-OG 3.06Å; D136-S138 VanDerWaalsContact OD2-OG 3.09Å |
| 139 | K | 92.8 | Very high | 85.9 | Confident | 164 Ų | 164 | 130.9 Ų | 130.9 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -93.8 | -7.5 | 179.7 | -62.1 | 178.6 | -171.9 | 158.8 | 0 | 113.1 | D136 P137 | D136-K139 HydrophobicContact CB-CD 4.03Å; D136-K139 HydrophobicContact CB-CG 4.19Å; D136-K139 PolarHBondContact O-N 3.25Å; D136-K139 VanDerWaalsContact OD2-CE 3.25Å; D136-K139 WeakPolarHBondContact OD2-CE 3.13Å; D136-K139 IonicContact OD2-NZ 3.54Å; P137-K139 PolarHBondContact O-N 2.74Å |
| 140 | I | 90.3 | Very high | 85.6 | Confident | 89 Ų | 89 | 133 Ų | 133 | 46% | 0.456 | 72% | 0.719 | S | S | . | * | trans | -95.4 | 115.3 | -177.4 | -54.2 | 176.4 | 0 | 0 | 0 | 108.4 | P137 | P137-I140 PolarHBondContact O-N 3.14Š| ||
| 141 | V | 91.2 | Very high | 85.2 | Confident | 141 Ų | 141 | 131.3 Ų | 131.3 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -87.5 | 114.9 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 142 | L | 89.4 | Confident | 84.9 | Confident | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 138.4 | 175.5 | -69.2 | 156.7 | 0 | 0 | 0 | 109.5 | ||
| 143 | P | 89.4 | Confident | 84.5 | Confident | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143.1 | 171.3 | 27 | -32.2 | 0 | 0 | 0 | 110.4 | ||
| 144 | G | 86.3 | Confident | 83.9 | Confident | 57 Ų | 57 | 130.3 Ų | 130.3 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 148 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G146 | G144-G146 PolarHBondContact O-N 3.25Š|
| 145 | A | 78.1 | Confident | 83.4 | Confident | 124 Ų | 124 | 125.1 Ų | 125.1 | 100% | 1.025 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 27.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 146 | G | 64.6 | Low | 82.7 | Confident | 68 Ų | 68 | 122.1 Ų | 122.1 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.4 | 20.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G144 | G144-G146 PolarHBondContact O-N 3.25Š|
| 147 | E | 58.8 | Low | 81.8 | Confident | 179 Ų | 179 | 126.7 Ų | 126.7 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -96.8 | 74.4 | 166.5 | -68.6 | -177.3 | 173.5 | 0 | 0 | 109.4 | ||||
| 148 | E | 56.2 | Low | 80.8 | Confident | 265 Ų | 265 | 131.1 Ų | 131.1 | 100% | 1.238 | 78% | 0.78 | S | S | * | * | trans | -123 | 0 | 158.5 | -72.4 | -167.4 | 170.8 | 0 | 0 | 109.4 |
Retrieved 148 of 148 residues in 38 ms
(Link to these results)