| 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 | 50.7 | Low | 55.9 | Low | 242 Ų | 242 | 136.2 Ų | 136.2 | 100% | 1.192 | 84% | 0.838 | S | S | * | * | 0 | 92.7 | 0 | -63.6 | -176.1 | 178.3 | 0 | 0 | 105.8 | |||||
| 2 | A | 49.6 | Very low | 55.6 | Low | 95 Ų | 95 | 134.6 Ų | 134.6 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | 86.5 | 117.9 | 92.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3 | A | 55 | Low | 55.4 | Low | 83 Ų | 83 | 135 Ų | 135 | 69% | 0.686 | 83% | 0.833 | S | S | * | * | trans | 72.4 | 108.6 | 148 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 4 | T | 60.1 | Low | 55.1 | Low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | 68.4 | 119.2 | 106.1 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 5 | S | 63 | Low | 54.9 | Low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | -176.8 | 110.5 | 107.6 | -154.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 6 | T | 67.6 | Low | 54.7 | Low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | 41.2 | 108.3 | 131 | -49.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 7 | Q | 51.2 | Low | 54.3 | Low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -92.4 | 154.5 | 156.5 | -166.8 | 174.7 | 49 | 0 | 0 | 109.5 | ||||
| 8 | A | 55.2 | Low | 54 | Low | 92 Ų | 92 | 143.3 Ų | 143.3 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | 98.2 | 146.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 9 | A | 55.6 | Low | 53.5 | Low | 106 Ų | 106 | 142.8 Ų | 142.8 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 76.8 | 112.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 10 | G | 50.7 | Low | 53.1 | Low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | cis | 101.2 | 129 | 26.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 11 | R | 56.6 | Low | 52.4 | Low | 248 Ų | 248 | 141.4 Ų | 141.4 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | trans | 99.1 | 152.5 | 173.5 | -58.3 | -170.2 | 168.4 | -143.8 | -1.2 | 115.9 | ||||
| 12 | P | 51.2 | Low | 51.9 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -131.7 | 178.4 | -86.2 | 24.2 | 1.3 | 0 | 0 | 0 | 111.8 | D14 | P12-D14 PolarHBondContact O-N 2.99Š| |||
| 13 | V | 53.3 | Low | 51.4 | Low | 140 Ų | 140 | 135 Ų | 135 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -49.2 | 121.5 | 169.4 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 14 | D | 51.2 | Low | 50.8 | Low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -137.4 | 142.6 | 156 | -150.3 | -65.9 | 0 | 0 | 0 | 109.7 | P12 | P12-D14 PolarHBondContact O-N 2.99Š| ||
| 15 | R | 51.9 | Low | 50 | Low | 178 Ų | 178 | 136.9 Ų | 136.9 | 67% | 0.672 | 80% | 0.797 | S | S | * | * | trans | -114.5 | 120.8 | -154.1 | 176.7 | -171.6 | 179.9 | 163.4 | -3.3 | 107.5 | E17 | R15-E17 HydrophobicContact CG-CB 4.07Å; R15-E17 IonicContact CZ-OE2 3.29Å; R15-E17 IonicContact NE-OE2 2.6Å; R15-E17 PolarHBondContact NE-OE2 3.16Å; R15-E17 IonicContact NH2-OE2 3.64Å; R15-E17 PolarHBondContact NH2-OE2 2.95Å; R15-E17 PolarHBondContact O-N 2.88Å | ||
| 16 | P | 52 | Low | 48.9 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 69.6 | 172.8 | 34.2 | -32.2 | 0 | 0 | 0 | 109.7 | ||||
| 17 | E | 47.4 | Very low | 47.4 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 64% | 0.64 | 81% | 0.806 | S | S | * | * | trans | -104.4 | 58.5 | 166.7 | -142 | -148.9 | 139.9 | 0 | 0 | 110.3 | R15 | R15-E17 HydrophobicContact CG-CB 4.07Å; R15-E17 IonicContact CZ-OE2 3.29Å; R15-E17 IonicContact NE-OE2 2.6Å; R15-E17 PolarHBondContact NE-OE2 3.16Å; R15-E17 IonicContact NH2-OE2 3.64Å; R15-E17 PolarHBondContact NH2-OE2 2.95Å; R15-E17 PolarHBondContact O-N 2.88Å | ||
| 18 | R | 48.9 | Very low | 46.8 | Very low | 228 Ų | 228 | 136.2 Ų | 136.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -146.9 | 20.8 | 178.1 | -76.6 | -159.1 | 173.8 | -142.4 | -1.8 | 116.1 | ||||
| 19 | V | 45.8 | Very low | 45.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -105.9 | -2.1 | 178.9 | -172.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 20 | L | 44.3 | Very low | 44.9 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -113.5 | 8.9 | 178.4 | -111.3 | 91.5 | 0 | 0 | 0 | 116.9 | ||
| 21 | A | 39.8 | Very low | 44.5 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -124.3 | 11.6 | -173 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 22 | A | 39.1 | Very low | 43.3 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -99.5 | 2.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 23 | A | 39.7 | Very low | 42.7 | Very low | 108 Ų | 108 | 134 Ų | 134 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -99.6 | -0.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 24 | A | 42.7 | Very low | 41.8 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -101.5 | 5.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 25 | Q | 42.9 | Very low | 41.1 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -132 | 16.6 | -169.8 | -98.4 | 147.7 | 2.8 | 0 | 0 | 116.4 | ||
| 26 | R | 39.3 | Very low | 40.5 | Very low | 252 Ų | 252 | 124 Ų | 124 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | -110 | 51.1 | 168.6 | -70.1 | -172.7 | 170.7 | 168.6 | -1.9 | 112.2 | ||||
| 27 | G | 36.2 | Very low | 40.2 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | -113.1 | 31.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q29 | G27-Q29 PolarHBondContact O-N 3.28Å; G27-Q29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | A | 38.6 | Very low | 39.6 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 105.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A30 | A28-A30 PolarHBondContact O-N 3.3Š| ||
| 29 | Q | 35.1 | Very low | 39.4 | Very low | 172 Ų | 172 | 113.8 Ų | 113.8 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 33.6 | 63 | 138.2 | -64.7 | -176.1 | -19.9 | 0 | 0 | 114.9 | G27 V31 | G27-Q29 PolarHBondContact O-N 3.28Å; G27-Q29 VanDerWaalsContact O-N 3.16Å; Q29-V31 PolarHBondContact O-N 3.15Å | ||
| 30 | A | 36.1 | Very low | 39.3 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | -69.3 | 83.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 105 | A28 C32 | A28-A30 PolarHBondContact O-N 3.3Å; A30-C32 PolarHBondContact O-N 3.48Å | ||
| 31 | V | 41.7 | Very low | 39.2 | Very low | 124 Ų | 124 | 108.6 Ų | 108.6 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -49.2 | 96.9 | 163.1 | -95.2 | 0 | 0 | 0 | 0 | 106.1 | Q29 A33 | Q29-V31 PolarHBondContact O-N 3.15Å; V31-A33 PolarHBondContact O-N 3.25Å | ||
| 32 | C | 32.8 | Very low | 39.3 | Very low | 96 Ų | 96 | 110 Ų | 110 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | trans | -64.6 | 90.2 | 169.5 | -173.6 | 0 | 0 | 0 | 0 | 105.5 | A30 C34 | A30-C32 PolarHBondContact O-N 3.48Å; C32-C34 PolarHBondContact O-N 3.32Å | ||
| 33 | A | 36.9 | Very low | 39.8 | Very low | 97 Ų | 97 | 113.2 Ų | 113.2 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | trans | -68.2 | 7.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | V31 A35 | V31-A33 PolarHBondContact O-N 3.25Å; A33-A35 VanDerWaalsContact C-N 3.3Å; A33-A35 PolarHBondContact O-N 3.33Å | ||
| 34 | C | 34.8 | Very low | 40.3 | Very low | 84 Ų | 84 | 111.6 Ų | 111.6 | 57% | 0.568 | 67% | 0.666 | S | S | * | * | trans | -78.7 | 84.7 | 168.3 | -129.9 | 0 | 0 | 0 | 0 | 109 | C32 C36 | C32-C34 PolarHBondContact O-N 3.32Å; C34-C36 PolarHBondContact O-N 3.33Å | ||
| 35 | A | 36.3 | Very low | 40.4 | Very low | 91 Ų | 91 | 109.7 Ų | 109.7 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | trans | -63.7 | 12.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A33 V37 | A33-A35 VanDerWaalsContact C-N 3.3Å; A33-A35 PolarHBondContact O-N 3.33Å; A35-V37 PolarHBondContact O-N 2.61Å | ||
| 36 | C | 40 | Very low | 40.8 | Very low | 88 Ų | 88 | 109.5 Ų | 109.5 | 60% | 0.595 | 65% | 0.65 | S | S | * | * | trans | -79.1 | 106.7 | 166.3 | -79.4 | 0 | 0 | 0 | 0 | 109.1 | C34 C38 | C34-C36 PolarHBondContact O-N 3.33Å; C36-C38 PolarHBondContact O-N 3.17Å | ||
| 37 | V | 44.9 | Very low | 41.5 | Very low | 106 Ų | 106 | 104 Ų | 104 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | trans | -43.7 | 80.1 | 157.2 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | A35 M39 | A35-V37 PolarHBondContact O-N 2.61Å; V37-M39 HydrophobicContact CG1-CB 4.28Å; V37-M39 HydrophobicContact CG1-CG 3.51Å; V37-M39 HydrophobicContact CG1-SD 3.49Å; V37-M39 WeakPolarHBondContact CG1-SD 3.5Å; V37-M39 PolarHBondContact O-N 3.36Å | ||
| 38 | C | 35.6 | Very low | 41.6 | Very low | 87 Ų | 87 | 102.7 Ų | 102.7 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | trans | -76.9 | 67.5 | 172.6 | -85.4 | 0 | 0 | 0 | 0 | 109.4 | C36 R40 | C36-C38 PolarHBondContact O-N 3.17Å; C38-R40 PolarHBondContact O-N 2.68Å | ||
| 39 | M | 45 | Very low | 42.4 | Very low | 84 Ų | 84 | 105.6 Ų | 105.6 | 41% | 0.414 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 27.2 | 167.3 | -77.4 | 174.7 | 120.3 | 0 | 0 | 112.6 | V37 S169 | V37-M39 HydrophobicContact CG1-CB 4.28Å; V37-M39 HydrophobicContact CG1-CG 3.51Å; V37-M39 HydrophobicContact CG1-SD 3.49Å; V37-M39 WeakPolarHBondContact CG1-SD 3.5Å; V37-M39 PolarHBondContact O-N 3.36Å; M39-S169 WeakPolarHBondContact CE-O 3.23Å |
| 40 | R | 43.8 | Very low | 43.3 | Very low | 152 Ų | 152 | 106.1 Ų | 106.1 | 57% | 0.574 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 16.8 | -172.6 | -134.2 | 165.1 | 178.5 | 159.1 | -2.8 | 114.1 | C38 D42 F111 | C38-R40 PolarHBondContact O-N 2.68Å; R40-D42 PolarHBondContact O-N 3.14Å; R40-F111 VanDerWaalsContact NH1-CE1 3.35Å |
| 41 | C | 41 | Very low | 44 | Very low | 54 Ų | 54 | 106.5 Ų | 106.5 | 37% | 0.365 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | 1.6 | 176 | -74.5 | 0 | 0 | 0 | 0 | 114.9 | A45 | C41-A45 PolarHBondContact O-N 3.41Š|
| 42 | D | 43.9 | Very low | 44.5 | Very low | 103 Ų | 103 | 106.8 Ų | 106.8 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.1 | -39.5 | 177.4 | -146.5 | -113.4 | 0 | 0 | 0 | 111.9 | R40 N44 | R40-D42 PolarHBondContact O-N 3.14Å; D42-N44 PolarHBondContact O-N 3.23Å |
| 43 | E | 49.3 | Very low | 45.7 | Very low | 163 Ų | 163 | 105.3 Ų | 105.3 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.7 | -4.9 | -178.5 | -106.3 | 169.3 | 116.6 | 0 | 0 | 114.5 | ||
| 44 | N | 48.5 | Very low | 46.8 | Very low | 75 Ų | 75 | 106.4 Ų | 106.4 | 40% | 0.401 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -126.7 | 1.1 | 179.7 | -152.1 | 60.4 | 0 | 0 | 0 | 113.3 | D42 E46 K47 C48 | D42-N44 PolarHBondContact O-N 3.23Å; N44-E46 VanDerWaalsContact C-N 3.32Å; N44-E46 PolarHBondContact O-N 2.9Å; N44-K47 PolarHBondContact O-N 3.24Å; N44-K47 VanDerWaalsContact O-N 3.16Å; N44-K47 WeakPolarHBondContact OD1-CB 3.49Å; N44-K47 WeakPolarHBondContact OD1-CD 3.47Å; N44-C48 PolarHBondContact O-N 2.6Å |
| 45 | A | 45.3 | Very low | 47.5 | Very low | 49 Ų | 49 | 108.7 Ų | 108.7 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | C41 K47 C48 E49 | C41-A45 PolarHBondContact O-N 3.41Å; A45-K47 VanDerWaalsContact C-N 3.28Å; A45-K47 PolarHBondContact O-N 3.18Å; A45-C48 PolarHBondContact O-N 3.4Å; A45-E49 PolarHBondContact O-N 2.74Å |
| 46 | E | 51.5 | Low | 48.2 | Very low | 164 Ų | 164 | 115.1 Ų | 115.1 | 77% | 0.766 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.2 | -31.3 | 174.7 | -62.7 | -169.4 | 120.5 | 0 | 0 | 112.6 | N44 R50 | N44-E46 VanDerWaalsContact C-N 3.32Å; N44-E46 PolarHBondContact O-N 2.9Å; E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.27Å; E46-R50 VanDerWaalsContact O-N 3.09Å |
| 47 | K | 54.9 | Low | 48.5 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.5 | -35.5 | 178.3 | -141.6 | 173.2 | -171.1 | 177 | 0 | 111.8 | N44 A45 R50 L51 | N44-K47 PolarHBondContact O-N 3.24Å; N44-K47 VanDerWaalsContact O-N 3.16Å; N44-K47 WeakPolarHBondContact OD1-CB 3.49Å; N44-K47 WeakPolarHBondContact OD1-CD 3.47Å; A45-K47 VanDerWaalsContact C-N 3.28Å; A45-K47 PolarHBondContact O-N 3.18Å; K47-R50 PolarHBondContact O-N 3.13Å; K47-L51 VanDerWaalsContact O-CG 3.29Å; K47-L51 WeakPolarHBondContact O-CG 3.33Å; K47-L51 PolarHBondContact O-N 3.5Å |
| 48 | C | 38.8 | Very low | 48.6 | Very low | 51 Ų | 51 | 116 Ų | 116 | 35% | 0.345 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.8 | -36.3 | 172.5 | -80.6 | 0 | 0 | 0 | 0 | 112.4 | N44 A45 L51 L52 | N44-C48 PolarHBondContact O-N 2.6Å; A45-C48 PolarHBondContact O-N 3.4Å; C48-L51 PolarHBondContact O-N 3.32Å; C48-L52 WeakPolarHBondContact O-CB 3.4Å; C48-L52 WeakPolarHBondContact O-CG 3.48Å; C48-L52 PolarHBondContact O-N 2.9Å |
| 49 | E | 54.3 | Low | 49.1 | Very low | 144 Ų | 144 | 117.2 Ų | 117.2 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.7 | -37.9 | 171.7 | -76.4 | -148.4 | 142.3 | 0 | 0 | 112.1 | A45 L52 A53 | A45-E49 PolarHBondContact O-N 2.74Å; E49-L52 PolarHBondContact O-N 2.9Å; E49-A53 VanDerWaalsContact O-CB 3.31Å; E49-A53 WeakPolarHBondContact O-CB 3.49Å; E49-A53 PolarHBondContact O-N 3.17Å |
| 50 | R | 54.9 | Low | 49.1 | Very low | 183 Ų | 183 | 119.1 Ų | 119.1 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.5 | -45.2 | 171.8 | -79 | -177.9 | 172.2 | 174.1 | -0.1 | 112.5 | E46 K47 L52 A53 E54 | E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.27Å; E46-R50 VanDerWaalsContact O-N 3.09Å; K47-R50 PolarHBondContact O-N 3.13Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.07Å; R50-A53 CarbonylContact O-C 3.57Å; R50-A53 WeakPolarHBondContact O-CB 3.49Å; R50-A53 PolarHBondContact O-N 3.21Å; R50-A53 VanDerWaalsContact O-N 3.11Å; R50-E54 WeakPolarHBondContact O-CB 3.46Å; R50-E54 WeakPolarHBondContact O-CG 3.31Å; R50-E54 PolarHBondContact O-N 3.49Å |
| 51 | L | 50.7 | Low | 49.4 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -34.1 | 177.7 | -70.1 | 170.4 | 0 | 0 | 0 | 113.1 | K47 C48 D55 | K47-L51 VanDerWaalsContact O-CG 3.29Å; K47-L51 WeakPolarHBondContact O-CG 3.33Å; K47-L51 PolarHBondContact O-N 3.5Å; C48-L51 PolarHBondContact O-N 3.32Å; L51-D55 PolarHBondContact O-N 2.92Å; L51-D55 VanDerWaalsContact O-N 3.13Å |
| 52 | L | 51.4 | Low | 49.7 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 68% | 0.681 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.8 | -23.8 | 173.1 | -70.5 | 172.6 | 0 | 0 | 0 | 113 | C48 E49 R50 | C48-L52 WeakPolarHBondContact O-CB 3.4Å; C48-L52 WeakPolarHBondContact O-CG 3.48Å; C48-L52 PolarHBondContact O-N 2.9Å; E49-L52 PolarHBondContact O-N 2.9Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-L52 PolarHBondContact O-N 3.07Å |
| 53 | A | 57.5 | Low | 49.8 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 54% | 0.537 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -77.9 | -34.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E49 R50 R56 | E49-A53 VanDerWaalsContact O-CB 3.31Å; E49-A53 WeakPolarHBondContact O-CB 3.49Å; E49-A53 PolarHBondContact O-N 3.17Å; R50-A53 CarbonylContact O-C 3.57Å; R50-A53 WeakPolarHBondContact O-CB 3.49Å; R50-A53 PolarHBondContact O-N 3.21Å; R50-A53 VanDerWaalsContact O-N 3.11Å; A53-R56 PolarHBondContact O-N 2.92Å |
| 54 | E | 60.6 | Low | 49.7 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 57% | 0.565 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.6 | -38.8 | 177.6 | -76.1 | 169.2 | 99.7 | 0 | 0 | 111.9 | R50 R56 S57 | R50-E54 WeakPolarHBondContact O-CB 3.46Å; R50-E54 WeakPolarHBondContact O-CG 3.31Å; R50-E54 PolarHBondContact O-N 3.49Å; E54-R56 PolarHBondContact O-N 3.41Å; E54-S57 PolarHBondContact O-N 3.05Å; E54-S57 PolarHBondContact O-OG 3.46Å |
| 55 | D | 49.6 | Very low | 49.3 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -67.3 | -15.7 | 175.2 | -157.5 | 66.1 | 0 | 0 | 0 | 113.1 | L51 | L51-D55 PolarHBondContact O-N 2.92Å; L51-D55 VanDerWaalsContact O-N 3.13Å |
| 56 | R | 51.3 | Low | 49.7 | Very low | 226 Ų | 226 | 127 Ų | 127 | 85% | 0.853 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -90.3 | 4.8 | 178.1 | -139.6 | 173.1 | -174.5 | 175.2 | 0.8 | 114.2 | A53 E54 | A53-R56 PolarHBondContact O-N 2.92Å; E54-R56 PolarHBondContact O-N 3.41Å |
| 57 | S | 46 | Very low | 49.6 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -107.9 | 7.8 | -177.1 | 69.3 | 0 | 0 | 0 | 0 | 115.5 | E54 V59 | E54-S57 PolarHBondContact O-N 3.05Å; E54-S57 PolarHBondContact O-OG 3.46Å; S57-V59 VanDerWaalsContact C-N 3.32Å; S57-V59 PolarHBondContact O-N 3.27Å |
| 58 | V | 47.6 | Very low | 49.1 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | trans | -77.2 | 84.5 | 171.8 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 59 | V | 45 | Very low | 49.2 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | -131 | 112.4 | 154 | -164.7 | 0 | 0 | 0 | 0 | 106.7 | S57 T61 | S57-V59 VanDerWaalsContact C-N 3.32Å; S57-V59 PolarHBondContact O-N 3.27Å; V59-T61 PolarHBondContact O-N 2.92Å | ||
| 60 | P | 45.4 | Very low | 48.8 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | trans | -84.9 | 107.7 | 176.2 | 31.8 | -27 | 0 | 0 | 0 | 108.6 | ||||
| 61 | T | 49 | Very low | 48.4 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -98.8 | 121.6 | 160.4 | 38.4 | 0 | 0 | 0 | 0 | 109 | V59 | V59-T61 PolarHBondContact O-N 2.92Š| ||
| 62 | S | 47.9 | Very low | 48 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -69.4 | 165.8 | 178.1 | 47.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 63 | E | 46.3 | Very low | 47.6 | Very low | 194 Ų | 194 | 124.8 Ų | 124.8 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | trans | 79.9 | 129.1 | 165.4 | -41.2 | -167.1 | 118.7 | 0 | 0 | 113.7 | ||||
| 64 | G | 46.3 | Very low | 46.8 | Very low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | 154.9 | 157 | 14.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 65 | N | 40.2 | Very low | 45.9 | Very low | 160 Ų | 160 | 126.2 Ų | 126.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 71.2 | 148.5 | 176.2 | -93.8 | 4.3 | 0 | 0 | 0 | 118.3 | ||||
| 66 | V | 54.9 | Low | 45.5 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 62% | 0.624 | 78% | 0.783 | S | S | * | * | cis | 172.2 | 151.6 | -24 | 133.7 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 67 | D | 48.7 | Very low | 44.7 | Very low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 89.5 | 128.2 | 161.2 | -73.6 | -40.9 | 0 | 0 | 0 | 122.5 | ||||
| 68 | Q | 44.4 | Very low | 44.5 | Very low | 200 Ų | 200 | 128 Ų | 128 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -86.3 | 149 | 179.8 | -59.6 | 172.5 | 5.5 | 0 | 0 | 110.1 | ||||
| 69 | G | 41.3 | Very low | 44 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -156 | 112.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 70 | S | 46.1 | Very low | 44 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -70.4 | 157.6 | -169.1 | -60.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 71 | S | 45.6 | Very low | 43.4 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 69.4 | 135.7 | 130.3 | 61.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 72 | G | 42.9 | Very low | 43.8 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 126.7 | 131.6 | 156 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 73 | S | 43.9 | Very low | 43.7 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | cis | -167.3 | 155.2 | -3 | -108 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 74 | S | 40.4 | Very low | 43.9 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -78.3 | 167.1 | -176.3 | -154.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 75 | S | 41.5 | Very low | 43.8 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 85.5 | 113.8 | 151.7 | -46.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 76 | H | 41.3 | Very low | 44.1 | Very low | 166 Ų | 166 | 131 Ų | 131 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | -168.1 | 116.6 | 113.6 | -144 | -96.9 | 0 | 0 | 0 | 111.9 | |||||
| 77 | L | 34.4 | Very low | 43.3 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -67.4 | 141.5 | 158 | -85.2 | 160.4 | 0 | 0 | 0 | 109 | ||||
| 78 | L | 42.4 | Very low | 43 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -163 | 125.4 | 147.5 | -101.1 | 168.1 | 0 | 0 | 0 | 109.4 | ||||
| 79 | A | 37.5 | Very low | 42.4 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -78.6 | 153.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 80 | M | 44.2 | Very low | 42.4 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -156.3 | 128.7 | 144.4 | -78 | -54.4 | 151.1 | 0 | 0 | 108.3 | ||||
| 81 | G | 32.5 | Very low | 42 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -95.5 | 168.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 82 | T | 56.9 | Low | 41.9 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | trans | -151.1 | 137.2 | 153.6 | 52 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 83 | E | 46.4 | Very low | 41.4 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -85.8 | 178.8 | -179.7 | 56.2 | -142.6 | 88.6 | 0 | 0 | 113.8 | ||||
| 84 | D | 50.9 | Low | 41.3 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | 89.1 | 111.2 | 172.5 | -49.2 | -43.3 | 0 | 0 | 0 | 117.2 | ||||
| 85 | G | 43.5 | Very low | 41.1 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | 115.8 | 65.5 | 11.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 86 | K | 47.7 | Very low | 40.7 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -165 | 102.5 | 158.3 | -147.9 | 158 | -175.8 | 173.9 | 0 | 114.6 | ||||
| 87 | L | 36.8 | Very low | 40.8 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 95% | 0.948 | 81% | 0.81 | S | S | * | * | trans | -140.4 | 112.4 | 153.3 | -91.5 | 166.5 | 0 | 0 | 0 | 107.6 | ||||
| 88 | V | 42.6 | Very low | 41 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -87.9 | 118.4 | 176.1 | -77 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 89 | A | 32.4 | Very low | 41.1 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -85.4 | 132.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 90 | A | 41.3 | Very low | 41.2 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -107.3 | 115.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 91 | D | 36.2 | Very low | 40.9 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 63% | 0.631 | 80% | 0.804 | S | S | * | * | trans | -58.1 | 142.5 | 169.2 | -168.9 | -32.2 | 0 | 0 | 0 | 111.4 | R93 | D91-R93 PolarHBondContact OD1-N 2.67Š| ||
| 92 | L | 45.4 | Very low | 40.9 | Very low | 178 Ų | 178 | 139 Ų | 139 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -151.8 | 86.8 | 145.2 | -102.7 | 137.2 | 0 | 0 | 0 | 108.8 | ||||
| 93 | R | 32.1 | Very low | 40.2 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -52.5 | 132.9 | 160 | -78.1 | 163.7 | 83.8 | -170.6 | 6.2 | 111.1 | D91 | D91-R93 PolarHBondContact OD1-N 2.67Š| ||
| 94 | S | 40.1 | Very low | 39.8 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -140.3 | 97.9 | 143.2 | -115.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 95 | T | 36.6 | Very low | 39.1 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 63% | 0.632 | 80% | 0.801 | S | S | * | * | trans | -6.2 | 136.2 | 134 | 4.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 96 | M | 34.5 | Very low | 38.5 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 77% | 0.768 | 80% | 0.795 | S | S | * | * | cis | -166.4 | 160.9 | 47.8 | -66.7 | -163.2 | 173 | 0 | 0 | 113.3 | ||||
| 97 | T | 43.4 | Very low | 38.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | 78.1 | 113 | 141.7 | 38.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 98 | T | 38.7 | Very low | 38.4 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 132.4 | 162.4 | 45 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 99 | H | 43.5 | Very low | 38.1 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | -148.1 | 142.4 | 141.1 | -159.5 | -97.4 | 0 | 0 | 0 | 109.4 | ||||
| 100 | T | 39.6 | Very low | 38.8 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -52.2 | 129 | -174.4 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 101 | G | 37.8 | Very low | 38.6 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -165.7 | 102.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P103 | G101-P103 WeakPolarHBondContact O-CD 3.25Š| ||
| 102 | V | 32.5 | Very low | 38.7 | Very low | 137 Ų | 137 | 138 Ų | 138 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -59.9 | 117.9 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | V104 | V102-V104 PolarHBondContact O-N 3.25Š| ||
| 103 | P | 42.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 111.9 | 169.6 | 30.4 | -27.2 | 0 | 0 | 0 | 108.8 | G101 H105 | G101-P103 WeakPolarHBondContact O-CD 3.25Å; P103-H105 PolarHBondContact O-N 3.01Å | ||
| 104 | V | 37.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 119.7 | 169.8 | -81.3 | 0 | 0 | 0 | 0 | 110.3 | V102 C106 | V102-V104 PolarHBondContact O-N 3.25Å; V104-C106 PolarHBondContact O-N 3.47Å |
| 105 | H | 35.5 | Very low | 38.3 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118.1 | 172.3 | -95.8 | -122.3 | 0 | 0 | 0 | 110.3 | P103 | P103-H105 PolarHBondContact O-N 3.01Š|
| 106 | C | 31.8 | Very low | 38.6 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 68% | 0.676 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 120.6 | 165.8 | -69.1 | 0 | 0 | 0 | 0 | 109.4 | V104 F108 | V104-C106 PolarHBondContact O-N 3.47Å; C106-F108 VanDerWaalsContact C-N 3.3Å; C106-F108 PolarHBondContact O-N 3.22Å |
| 107 | P | 42.1 | Very low | 39.2 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 52.5 | -173.5 | 37.1 | -35.5 | 0 | 0 | 0 | 111.7 | ||
| 108 | F | 39.1 | Very low | 39.3 | Very low | 197 Ų | 197 | 130.5 Ų | 130.5 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.5 | 24.7 | 175.4 | -83.2 | -68 | 0 | 0 | 0 | 115.9 | C106 | C106-F108 VanDerWaalsContact C-N 3.3Å; C106-F108 PolarHBondContact O-N 3.22Å |
| 109 | T | 36.8 | Very low | 39.9 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | -131 | 80.5 | 176.1 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | F111 | T109-F111 PolarHBondContact O-N 2.99Š| ||
| 110 | I | 47 | Very low | 39.9 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -81.9 | 104.4 | 158.8 | -62.6 | 176.6 | 0 | 0 | 0 | 106.7 | ||||
| 111 | F | 37.2 | Very low | 40.4 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | trans | 110.9 | 104.6 | 170.9 | -72.6 | -73 | 0 | 0 | 0 | 117.5 | R40 T109 | R40-F111 VanDerWaalsContact NH1-CE1 3.35Å; T109-F111 PolarHBondContact O-N 2.99Å | ||
| 112 | P | 39.2 | Very low | 40.8 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | trans | -85.5 | 105.4 | 152.9 | 33.1 | -22.5 | 0 | 0 | 0 | 108 | ||||
| 113 | C | 33.9 | Very low | 40.8 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 69% | 0.689 | 72% | 0.718 | S | S | * | * | trans | -114.2 | 88.8 | 166.5 | -67 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 114 | R | 41.1 | Very low | 40.7 | Very low | 242 Ų | 242 | 125 Ų | 125 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | trans | 22 | 104.7 | 150 | -166.7 | 165.3 | 140.3 | -163.1 | -5 | 115.1 | A116 | R114-A116 PolarHBondContact O-N 3.44Å; R114-A116 VanDerWaalsContact O-N 3.15Å | ||
| 115 | A | 32.6 | Very low | 40.7 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | trans | -40.3 | 114.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 116 | A | 43.2 | Very low | 40.9 | Very low | 90 Ų | 90 | 121.5 Ų | 121.5 | 74% | 0.744 | 71% | 0.712 | S | S | * | * | trans | -116.2 | 107.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | R114 | R114-A116 PolarHBondContact O-N 3.44Å; R114-A116 VanDerWaalsContact O-N 3.15Å | ||
| 117 | A | 47.1 | Very low | 41.7 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | trans | -49.9 | 138 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P119 | A117-P119 VanDerWaalsContact O-CD 3.25Å; A117-P119 WeakPolarHBondContact O-CD 3.33Å | ||
| 118 | L | 46.1 | Very low | 41.5 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 51% | 0.508 | 73% | 0.728 | S | S | . | * | trans | -54 | 130.2 | -175 | -61.1 | 166.1 | 0 | 0 | 0 | 111.3 | ||||
| 119 | P | 50.3 | Low | 41.7 | Very low | 80 Ų | 80 | 125.1 Ų | 125.1 | 52% | 0.519 | 72% | 0.718 | S | S | . | * | trans | -109.9 | 107 | 139.4 | 32.9 | -19.4 | 0 | 0 | 0 | 106.2 | A117 A121 | A117-P119 VanDerWaalsContact O-CD 3.25Å; A117-P119 WeakPolarHBondContact O-CD 3.33Å; P119-A121 HydrophobicContact CB-CB 4.04Å; P119-A121 PolarHBondContact O-N 3.42Å | ||
| 120 | F | 45 | Very low | 42 | Very low | 151 Ų | 151 | 125.5 Ų | 125.5 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | trans | -68.7 | 69.2 | 149.7 | -174.3 | -96.7 | 0 | 0 | 0 | 106.2 | N122 N150 | F120-N122 PolarHBondContact O-N 2.87Å; F120-N122 VanDerWaalsContact O-N 3.07Å; F120-N150 WeakPolarHBondContact CE2-ND2 3.43Å | ||
| 121 | A | 49.5 | Very low | 42.2 | Very low | 81 Ų | 81 | 122.7 Ų | 122.7 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | trans | -77 | 99.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | P119 | P119-A121 HydrophobicContact CB-CB 4.04Å; P119-A121 PolarHBondContact O-N 3.42Å | ||
| 122 | N | 45.8 | Very low | 42.8 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | 55.4 | 114.1 | 133 | -150.2 | 17.4 | 0 | 0 | 0 | 118.4 | F120 T124 | F120-N122 PolarHBondContact O-N 2.87Å; F120-N122 VanDerWaalsContact O-N 3.07Å; N122-T124 VanDerWaalsContact C-N 3.34Å; N122-T124 PolarHBondContact O-N 2.87Å | ||
| 123 | C | 33.9 | Very low | 43.7 | Very low | 76 Ų | 76 | 119 Ų | 119 | 51% | 0.514 | 71% | 0.71 | S | S | . | * | trans | -59.3 | 93.8 | 162 | -161.2 | 0 | 0 | 0 | 0 | 108.8 | S125 R146 | C123-S125 VanDerWaalsContact C-N 3.3Å; C123-S125 PolarHBondContact O-N 3.3Å; C123-S125 VanDerWaalsContact O-N 3.14Å; C123-R146 PolarHBondContact SG-NH2 3.35Å | ||
| 124 | T | 38.8 | Very low | 44.6 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -82.3 | 85.2 | 166.6 | 23 | 0 | 0 | 0 | 0 | 107.5 | N122 N126 | N122-T124 VanDerWaalsContact C-N 3.34Å; N122-T124 PolarHBondContact O-N 2.87Å; T124-N126 PolarHBondContact O-N 3.47Å | ||
| 125 | S | 39.4 | Very low | 45.1 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | trans | -67.9 | 121.3 | 164.6 | -160.5 | 0 | 0 | 0 | 0 | 108 | C123 | C123-S125 VanDerWaalsContact C-N 3.3Å; C123-S125 PolarHBondContact O-N 3.3Å; C123-S125 VanDerWaalsContact O-N 3.14Å | ||
| 126 | N | 38.8 | Very low | 45.9 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -169.4 | 89.5 | 154.9 | -97.3 | -7 | 0 | 0 | 0 | 110.5 | T124 | T124-N126 PolarHBondContact O-N 3.47Š| ||
| 127 | K | 49.3 | Very low | 46.6 | Very low | 199 Ų | 199 | 116.9 Ų | 116.9 | 87% | 0.865 | 67% | 0.667 | S | S | * | * | trans | -137.2 | 91.1 | 147.1 | -123.9 | 179.5 | -173.7 | -176.6 | 0 | 107.4 | T129 | K127-T129 PolarHBondContact O-N 3.14Å; K127-T129 VanDerWaalsContact O-N 3.17Å | ||
| 128 | M | 37.4 | Very low | 47.1 | Very low | 177 Ų | 177 | 118.9 Ų | 118.9 | 87% | 0.872 | 66% | 0.66 | S | S | * | * | trans | -64.5 | 106.2 | 172.6 | -74.3 | 166.8 | 162.5 | 0 | 0 | 108.9 | ||||
| 129 | T | 43.7 | Very low | 48.4 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | trans | -130.9 | 106.5 | 160.2 | 55.5 | 0 | 0 | 0 | 0 | 107.2 | K127 T131 | K127-T129 PolarHBondContact O-N 3.14Å; K127-T129 VanDerWaalsContact O-N 3.17Å; T129-T131 PolarHBondContact O-N 3.24Å | ||
| 130 | S | 43.3 | Very low | 49.6 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 88% | 0.881 | 67% | 0.667 | S | S | * | * | trans | -57.2 | 91.7 | -176.7 | 45.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 131 | T | 49.9 | Very low | 51.4 | Low | 95 Ų | 95 | 120.8 Ų | 120.8 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | trans | -149.7 | 120.8 | 166.6 | -11.1 | 0 | 0 | 0 | 0 | 110 | T129 Q135 | T129-T131 PolarHBondContact O-N 3.24Å; T131-Q135 PolarHBondContact O-OE1 3.39Å | ||
| 132 | S | 50.1 | Low | 53.1 | Low | 68 Ų | 68 | 119.7 Ų | 119.7 | 48% | 0.476 | 65% | 0.645 | S | S | . | * | trans | 71.3 | 101.1 | 154.9 | -152.5 | 0 | 0 | 0 | 0 | 120.1 | R134 Q135 F136 | S132-R134 PolarHBondContact O-N 2.95Å; S132-Q135 PolarHBondContact O-N 3.49Å; S132-F136 WeakPolarHBondContact O-CD2 3.47Å | ||
| 133 | S | 58.1 | Low | 55.1 | Low | 111 Ų | 111 | 115.8 Ų | 115.8 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -12.2 | 172.3 | -155.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 134 | R | 53.8 | Low | 57.8 | Low | 208 Ų | 208 | 116.2 Ų | 116.2 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -28 | 175.9 | -75.1 | -178.8 | 173.7 | 155.4 | -1.6 | 113.4 | S132 F136 | S132-R134 PolarHBondContact O-N 2.95Å; R134-F136 VanDerWaalsContact C-N 3.33Å |
| 135 | Q | 51.3 | Low | 60.3 | Low | 98 Ų | 98 | 114.1 Ų | 114.1 | 46% | 0.458 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.3 | -30.7 | -177.5 | -69.6 | 177.4 | -42.3 | 0 | 0 | 111.7 | T131 S132 A137 E138 D139 | T131-Q135 PolarHBondContact O-OE1 3.39Å; S132-Q135 PolarHBondContact O-N 3.49Å; Q135-A137 VanDerWaalsContact C-N 3.27Å; Q135-A137 PolarHBondContact O-N 3.14Å; Q135-E138 PolarHBondContact O-N 3.07Å; Q135-D139 PolarHBondContact O-N 3.44Å; Q135-D139 VanDerWaalsContact O-N 3.15Å |
| 136 | F | 48.8 | Very low | 62.8 | Low | 127 Ų | 127 | 112.1 Ų | 112.1 | 56% | 0.557 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.9 | -32.1 | 178.2 | -62.8 | -80.9 | 0 | 0 | 0 | 113.8 | S132 R134 E140 | S132-F136 WeakPolarHBondContact O-CD2 3.47Å; R134-F136 VanDerWaalsContact C-N 3.33Å; F136-E140 WeakPolarHBondContact O-CG 3.33Å; F136-E140 PolarHBondContact O-N 3.5Å |
| 137 | A | 58.5 | Low | 65.3 | Low | 62 Ų | 62 | 112.5 Ų | 112.5 | 51% | 0.512 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -75.6 | -38.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q135 D139 E140 E141 | Q135-A137 VanDerWaalsContact C-N 3.27Å; Q135-A137 PolarHBondContact O-N 3.14Å; A137-D139 VanDerWaalsContact C-N 3.29Å; A137-D139 PolarHBondContact O-N 3.43Å; A137-E140 PolarHBondContact O-N 3.3Å; A137-E141 PolarHBondContact O-N 3.05Å |
| 138 | E | 58.4 | Low | 67.4 | Low | 139 Ų | 139 | 106 Ų | 106 | 65% | 0.65 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.9 | -34.9 | 177.5 | -62.7 | 178 | 153.5 | 0 | 0 | 111 | Q135 E142 | Q135-E138 PolarHBondContact O-N 3.07Å; E138-E142 WeakPolarHBondContact O-CB 3.38Å; E138-E142 PolarHBondContact O-N 3.14Å |
| 139 | D | 71.7 | Confident | 70.1 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.3 | -31.9 | 176.6 | -69.8 | -32.6 | 0 | 0 | 0 | 113 | Q135 A137 C143 | Q135-D139 PolarHBondContact O-N 3.44Å; Q135-D139 VanDerWaalsContact O-N 3.15Å; A137-D139 VanDerWaalsContact C-N 3.29Å; A137-D139 PolarHBondContact O-N 3.43Å; D139-C143 PolarHBondContact O-N 3.21Å; D139-C143 PolarHBondContact O-SG 2.96Å |
| 140 | E | 76.8 | Confident | 72.3 | Confident | 136 Ų | 136 | 94.5 Ų | 94.5 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70 | -47 | 177.6 | -78 | -175.1 | 176 | 0 | 0 | 112 | F136 A137 E142 C143 D144 | F136-E140 WeakPolarHBondContact O-CG 3.33Å; F136-E140 PolarHBondContact O-N 3.5Å; A137-E140 PolarHBondContact O-N 3.3Å; E140-E142 VanDerWaalsContact C-N 3.32Å; E140-E142 PolarHBondContact O-N 2.92Å; E140-C143 WeakPolarHBondContact O-CB 3.47Å; E140-C143 PolarHBondContact O-N 2.88Å; E140-C143 VanDerWaalsContact O-N 3.14Å; E140-D144 PolarHBondContact O-N 3.29Å; E140-D144 VanDerWaalsContact O-N 3.13Å |
| 141 | E | 83.1 | Confident | 74.6 | Confident | 131 Ų | 131 | 91.4 Ų | 91.4 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 178 | -171.5 | -178.3 | 172.3 | 0 | 0 | 111.5 | A137 C143 D144 L145 | A137-E141 PolarHBondContact O-N 3.05Å; E141-C143 VanDerWaalsContact C-N 3.28Å; E141-C143 PolarHBondContact O-N 3.34Å; E141-D144 PolarHBondContact O-N 3.31Å; E141-L145 HydrophobicContact CG-CD1 4.14Å; E141-L145 HydrophobicContact CG-CG 4.48Å; E141-L145 WeakPolarHBondContact O-CB 2.95Å; E141-L145 WeakPolarHBondContact O-CG 3.36Å; E141-L145 PolarHBondContact O-N 3.34Å |
| 142 | E | 85 | Confident | 76.6 | Confident | 58 Ų | 58 | 90.9 Ų | 90.9 | 27% | 0.271 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -36 | 176.7 | -174.3 | 65.8 | -151.5 | 0 | 0 | 112.2 | E138 E140 R146 Y178 R182 | E138-E142 WeakPolarHBondContact O-CB 3.38Å; E138-E142 PolarHBondContact O-N 3.14Å; E140-E142 VanDerWaalsContact C-N 3.32Å; E140-E142 PolarHBondContact O-N 2.92Å; E142-R146 VanDerWaalsContact O-CB 3.27Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 PolarHBondContact O-N 2.81Å; E142-Y178 VanDerWaalsContact CD-OH 3.28Å; E142-Y178 WeakPolarHBondContact OE1-CE1 3.27Å; E142-Y178 PolarHBondContact OE1-OH 3.17Å; E142-R182 IonicContact OE1-CZ 3.57Å; E142-R182 IonicContact OE1-NH1 2.61Å; E142-R182 PolarHBondContact OE1-NH1 3.2Å; E142-R182 IonicContact OE2-CZ 3.39Å; E142-R182 IonicContact OE2-NH1 2.68Å; E142-R182 PolarHBondContact OE2-NH1 3.13Å; E142-R182 IonicContact OE2-NH2 3.59Å |
| 143 | C | 87.1 | Confident | 78.6 | Confident | 41 Ų | 41 | 87.9 Ų | 87.9 | 28% | 0.277 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 175.2 | -75.2 | 0 | 0 | 0 | 0 | 112 | D139 E140 E141 R147 | D139-C143 PolarHBondContact O-N 3.21Å; D139-C143 PolarHBondContact O-SG 2.96Å; E140-C143 WeakPolarHBondContact O-CB 3.47Å; E140-C143 PolarHBondContact O-N 2.88Å; E140-C143 VanDerWaalsContact O-N 3.14Å; E141-C143 VanDerWaalsContact C-N 3.28Å; E141-C143 PolarHBondContact O-N 3.34Å; C143-R147 WeakPolarHBondContact O-CB 3.42Å; C143-R147 VanDerWaalsContact O-CG 3.3Å; C143-R147 WeakPolarHBondContact O-CG 3.3Å; C143-R147 PolarHBondContact O-N 3.1Å |
| 144 | D | 90.7 | Very high | 80 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 46% | 0.46 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 176.6 | -75 | -21 | 0 | 0 | 0 | 112.4 | E140 E141 R146 R147 S148 | E140-D144 PolarHBondContact O-N 3.29Å; E140-D144 VanDerWaalsContact O-N 3.13Å; E141-D144 PolarHBondContact O-N 3.31Å; D144-R146 VanDerWaalsContact C-N 3.33Å; D144-R146 PolarHBondContact O-N 3.2Å; D144-R147 PolarHBondContact O-N 3.23Å; D144-R147 IonicContact OD1-CZ 3.34Å; D144-R147 VanDerWaalsContact OD1-CZ 3.29Å; D144-R147 IonicContact OD1-NE 2.74Å; D144-R147 PolarHBondContact OD1-NE 3.07Å; D144-R147 IonicContact OD1-NH2 3.32Å; D144-R147 PolarHBondContact OD1-NH2 3.35Å; D144-S148 WeakPolarHBondContact O-CB 3.39Å; D144-S148 PolarHBondContact O-N 3.28Å |
| 145 | L | 91.4 | Very high | 81.6 | Confident | 85 Ų | 85 | 77.7 Ų | 77.7 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 174.4 | -72.4 | 169.7 | 0 | 0 | 0 | 111.4 | E141 R147 S148 F149 | E141-L145 HydrophobicContact CG-CD1 4.14Å; E141-L145 HydrophobicContact CG-CG 4.48Å; E141-L145 WeakPolarHBondContact O-CB 2.95Å; E141-L145 WeakPolarHBondContact O-CG 3.36Å; E141-L145 PolarHBondContact O-N 3.34Å; L145-R147 PolarHBondContact O-N 2.63Å; L145-S148 PolarHBondContact O-N 3.38Å; L145-F149 VanDerWaalsContact O-CB 3.27Å; L145-F149 WeakPolarHBondContact O-CB 3.33Å; L145-F149 PolarHBondContact O-N 3.21Å |
| 146 | R | 91.9 | Very high | 83.3 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 21% | 0.211 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.6 | -175.8 | 171 | 62.6 | 161 | -2.3 | 112.1 | C123 E142 D144 N150 Y178 | C123-R146 PolarHBondContact SG-NH2 3.35Å; E142-R146 VanDerWaalsContact O-CB 3.27Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 PolarHBondContact O-N 2.81Å; D144-R146 VanDerWaalsContact C-N 3.33Å; D144-R146 PolarHBondContact O-N 3.2Å; R146-N150 WeakPolarHBondContact O-CB 3.18Å; R146-N150 VanDerWaalsContact O-CG 3.22Å; R146-N150 PolarHBondContact O-N 2.95Å; R146-N150 PolarHBondContact O-ND2 3.37Å; R146-Y178 HydrophobicContact CB-CD1 3.73Å; R146-Y178 HydrophobicContact CB-CE1 3.61Å; R146-Y178 HydrophobicContact CB-CE2 4.47Å; R146-Y178 HydrophobicContact CB-CG 4.17Å; R146-Y178 HydrophobicContact CG-CD1 3.54Å; R146-Y178 HydrophobicContact CG-CE1 3.97Å; R146-Y178 HydrophobicContact CG-CG 3.88Å |
| 147 | R | 91.2 | Very high | 85.1 | Confident | 150 Ų | 150 | 68.3 Ų | 68.3 | 57% | 0.566 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.9 | -48.1 | 177.6 | -77.7 | -173.4 | -77.3 | -165.1 | -5.9 | 111.5 | C143 D144 L145 N150 A151 | C143-R147 WeakPolarHBondContact O-CB 3.42Å; C143-R147 VanDerWaalsContact O-CG 3.3Å; C143-R147 WeakPolarHBondContact O-CG 3.3Å; C143-R147 PolarHBondContact O-N 3.1Å; D144-R147 PolarHBondContact O-N 3.23Å; D144-R147 IonicContact OD1-CZ 3.34Å; D144-R147 VanDerWaalsContact OD1-CZ 3.29Å; D144-R147 IonicContact OD1-NE 2.74Å; D144-R147 PolarHBondContact OD1-NE 3.07Å; D144-R147 IonicContact OD1-NH2 3.32Å; D144-R147 PolarHBondContact OD1-NH2 3.35Å; L145-R147 PolarHBondContact O-N 2.63Å; R147-N150 PolarHBondContact O-N 2.92Å; R147-A151 PolarHBondContact O-N 2.96Å |
| 148 | S | 93.2 | Very high | 86.4 | Confident | 61 Ų | 61 | 72 Ų | 72 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | D144 L145 N150 A151 Q152 | D144-S148 WeakPolarHBondContact O-CB 3.39Å; D144-S148 PolarHBondContact O-N 3.28Å; L145-S148 PolarHBondContact O-N 3.38Å; S148-N150 PolarHBondContact O-N 3.23Å; S148-A151 PolarHBondContact O-N 3.24Å; S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 3.4Å; S148-Q152 PolarHBondContact OG-NE2 3.15Å |
| 149 | F | 93.7 | Very high | 87.5 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 6% | 0.057 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 176.1 | 173.4 | -91.1 | 0 | 0 | 0 | 112 | L145 A151 Q152 L153 L177 Y178 Y181 L227 Y230 | L145-F149 VanDerWaalsContact O-CB 3.27Å; L145-F149 WeakPolarHBondContact O-CB 3.33Å; L145-F149 PolarHBondContact O-N 3.21Å; F149-A151 VanDerWaalsContact C-N 3.33Å; F149-A151 PolarHBondContact O-N 2.93Å; F149-Q152 PolarHBondContact O-N 3.26Å; F149-L153 HydrophobicContact CE1-CB 4.45Å; F149-L153 HydrophobicContact CE1-CD2 3.74Å; F149-L153 HydrophobicContact CZ-CD2 4.01Å; F149-L153 VanDerWaalsContact O-CB 3.31Å; F149-L153 WeakPolarHBondContact O-CB 3.42Å; F149-L153 PolarHBondContact O-N 2.81Å; F149-L177 HydrophobicContact CE1-CB 4.46Å; F149-Y178 HydrophobicContact CB-CD2 3.71Å; F149-Y178 HydrophobicContact CB-CE2 4.13Å; F149-Y178 AromaticContact CD1-CD2 3.64Å; F149-Y178 HydrophobicContact CD1-CD2 3.64Å; F149-Y178 HydrophobicContact CD1-CG 4.07Å; F149-Y178 HydrophobicContact CD2-CD2 4.15Å; F149-Y178 VanDerWaalsContact CE1-CA 3.48Å; F149-Y178 HydrophobicContact CE1-CD2 4.27Å; F149-Y178 AromaticContact CG-CD2 3.56Å; F149-Y178 HydrophobicContact CG-CD2 3.56Å; F149-Y178 HydrophobicContact CG-CE2 4.36Å; F149-Y178 HydrophobicContact CG-CG 4.43Å; F149-Y181 HydrophobicContact CD2-CD1 4.13Å; F149-Y181 HydrophobicContact CD2-CE1 4.42Å; F149-Y181 AromaticContact CE2-CD1 3.39Å; F149-Y181 HydrophobicContact CE2-CD1 3.39Å; F149-Y181 HydrophobicContact CE2-CD2 4.32Å; F149-Y181 AromaticContact CE2-CE1 3.87Å; F149-Y181 HydrophobicContact CE2-CE1 3.87Å; F149-Y181 AromaticContact CE2-CG 3.64Å; F149-Y181 HydrophobicContact CE2-CG 3.64Å; F149-Y181 HydrophobicContact CZ-CD1 4.01Å; F149-Y181 AromaticContact CZ-CG 3.85Å; F149-Y181 HydrophobicContact CZ-CG 3.85Å; F149-L227 HydrophobicContact CZ-CD2 3.86Å; F149-Y230 AromaticContact CD2-CE1 3.98Å; F149-Y230 HydrophobicContact CD2-CE1 3.98Å; F149-Y230 HydrophobicContact CE2-CD1 4.17Å; F149-Y230 AromaticContact CE2-CE1 3.45Å; F149-Y230 HydrophobicContact CE2-CE1 3.45Å; F149-Y230 VanDerWaalsContact CE2-CE1 3.45Å; F149-Y230 HydrophobicContact CZ-CE1 4.3Å |
| 150 | N | 90.9 | Very high | 87.8 | Confident | 33 Ų | 33 | 71 Ų | 71 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | -179.2 | -74.9 | -21.8 | 0 | 0 | 0 | 111.7 | F120 R146 R147 S148 L153 E154 | F120-N150 WeakPolarHBondContact CE2-ND2 3.43Å; R146-N150 WeakPolarHBondContact O-CB 3.18Å; R146-N150 VanDerWaalsContact O-CG 3.22Å; R146-N150 PolarHBondContact O-N 2.95Å; R146-N150 PolarHBondContact O-ND2 3.37Å; R147-N150 PolarHBondContact O-N 2.92Å; S148-N150 PolarHBondContact O-N 3.23Å; N150-L153 PolarHBondContact O-N 3.24Å; N150-E154 VanDerWaalsContact O-CB 3.3Å; N150-E154 WeakPolarHBondContact O-CB 3.48Å; N150-E154 PolarHBondContact O-N 3.27Å |
| 151 | A | 91.5 | Very high | 87.4 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R147 S148 F149 E154 A155 | R147-A151 PolarHBondContact O-N 2.96Å; S148-A151 PolarHBondContact O-N 3.24Å; F149-A151 VanDerWaalsContact C-N 3.33Å; F149-A151 PolarHBondContact O-N 2.93Å; A151-E154 PolarHBondContact O-N 3.07Å; A151-A155 PolarHBondContact O-N 3.31Å; A151-A155 VanDerWaalsContact O-N 3.09Å |
| 152 | Q | 91.8 | Very high | 86.5 | Confident | 85 Ų | 85 | 67.1 Ų | 67.1 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.6 | -69.5 | 177.4 | 33.4 | 0 | 0 | 112.1 | S148 F149 E154 A155 F156 Y230 | S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 3.4Å; S148-Q152 PolarHBondContact OG-NE2 3.15Å; F149-Q152 PolarHBondContact O-N 3.26Å; Q152-E154 VanDerWaalsContact C-N 3.34Å; Q152-A155 PolarHBondContact O-N 3Å; Q152-F156 WeakPolarHBondContact O-CB 3.36Å; Q152-F156 PolarHBondContact O-N 2.89Å; Q152-Y230 HydrophobicContact CB-CE2 4.23Å; Q152-Y230 PolarHBondContact OE1-OH 3.49Å; Q152-Y230 VanDerWaalsContact OE1-OH 3.09Å |
| 153 | L | 90.9 | Very high | 85.5 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 178.7 | -177.4 | 61.4 | 0 | 0 | 0 | 111 | F149 N150 F156 L157 L177 L227 Y230 | F149-L153 HydrophobicContact CE1-CB 4.45Å; F149-L153 HydrophobicContact CE1-CD2 3.74Å; F149-L153 HydrophobicContact CZ-CD2 4.01Å; F149-L153 VanDerWaalsContact O-CB 3.31Å; F149-L153 WeakPolarHBondContact O-CB 3.42Å; F149-L153 PolarHBondContact O-N 2.81Å; N150-L153 PolarHBondContact O-N 3.24Å; L153-F156 HydrophobicContact CD1-CD1 4.33Å; L153-F156 WeakPolarHBondContact O-CB 3.25Å; L153-F156 PolarHBondContact O-N 3.08Å; L153-L157 HydrophobicContact CD1-CD1 4.13Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CD2-CD1 4.46Å; L153-L157 HydrophobicContact CG-CD1 3.85Å; L153-L157 HydrophobicContact CG-CG 4.23Å; L153-L157 WeakPolarHBondContact O-CB 3.07Å; L153-L157 WeakPolarHBondContact O-CG 3.22Å; L153-L157 PolarHBondContact O-N 2.98Å; L153-L177 HydrophobicContact CD2-CB 3.98Å; L153-L177 HydrophobicContact CD2-CD1 3.68Å; L153-L177 HydrophobicContact CD2-CG 4.47Å; L153-L227 HydrophobicContact CD1-CD2 4.06Å; L153-L227 HydrophobicContact CD2-CD2 3.8Å; L153-Y230 HydrophobicContact CD1-CD1 4.46Å; L153-Y230 HydrophobicContact CD1-CD2 3.95Å; L153-Y230 HydrophobicContact CD1-CG 3.88Å |
| 154 | E | 87.5 | Confident | 84.5 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.3 | -173.3 | -180 | 172.7 | 0 | 0 | 111.8 | N150 A151 Q152 F156 L157 R158 | N150-E154 VanDerWaalsContact O-CB 3.3Å; N150-E154 WeakPolarHBondContact O-CB 3.48Å; N150-E154 PolarHBondContact O-N 3.27Å; A151-E154 PolarHBondContact O-N 3.07Å; Q152-E154 VanDerWaalsContact C-N 3.34Å; E154-F156 VanDerWaalsContact C-N 3.29Å; E154-F156 PolarHBondContact O-N 3.04Å; E154-L157 PolarHBondContact O-N 3.45Å; E154-R158 HydrophobicContact CG-CG 4.35Å; E154-R158 WeakPolarHBondContact O-CB 3.43Å; E154-R158 VanDerWaalsContact O-CG 3.28Å; E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 3.07Å; E154-R158 IonicContact OE1-CZ 3.19Å; E154-R158 IonicContact OE1-NE 2.92Å; E154-R158 PolarHBondContact OE1-NE 3.38Å; E154-R158 IonicContact OE1-NH2 2.66Å; E154-R158 PolarHBondContact OE1-NH2 3.46Å |
| 155 | A | 87.8 | Confident | 83.8 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 31% | 0.314 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A151 Q152 R159 | A151-A155 PolarHBondContact O-N 3.31Å; A151-A155 VanDerWaalsContact O-N 3.09Å; Q152-A155 PolarHBondContact O-N 3Å; A155-R159 WeakPolarHBondContact O-CG 3.29Å; A155-R159 PolarHBondContact O-N 3.46Å |
| 156 | F | 88.3 | Confident | 83.1 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.5 | 176.1 | -100.7 | 0 | 0 | 0 | 112.5 | Q152 L153 E154 R159 R160 R229 Y230 K233 | Q152-F156 WeakPolarHBondContact O-CB 3.36Å; Q152-F156 PolarHBondContact O-N 2.89Å; L153-F156 HydrophobicContact CD1-CD1 4.33Å; L153-F156 WeakPolarHBondContact O-CB 3.25Å; L153-F156 PolarHBondContact O-N 3.08Å; E154-F156 VanDerWaalsContact C-N 3.29Å; E154-F156 PolarHBondContact O-N 3.04Å; F156-R159 PolarHBondContact O-N 3.13Å; F156-R160 PolarHBondContact O-N 2.98Å; F156-R229 HydrophobicContact CE1-CB 4.12Å; F156-R229 HydrophobicContact CZ-CB 3.59Å; F156-Y230 HydrophobicContact CB-CD2 4.17Å; F156-Y230 HydrophobicContact CD1-CD2 4.18Å; F156-Y230 HydrophobicContact CG-CD2 4.08Å; F156-K233 HydrophobicContact CD2-CD 4.09Å; F156-K233 HydrophobicContact CE2-CD 4.21Å |
| 157 | L | 86.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.6 | -35.4 | -179.3 | -68.4 | 174.5 | 0 | 0 | 0 | 112.4 | L153 E154 R159 R160 C161 V165 Y226 | L153-L157 HydrophobicContact CD1-CD1 4.13Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CD2-CD1 4.46Å; L153-L157 HydrophobicContact CG-CD1 3.85Å; L153-L157 HydrophobicContact CG-CG 4.23Å; L153-L157 WeakPolarHBondContact O-CB 3.07Å; L153-L157 WeakPolarHBondContact O-CG 3.22Å; L153-L157 PolarHBondContact O-N 2.98Å; E154-L157 PolarHBondContact O-N 3.45Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 3.44Å; L157-R160 PolarHBondContact O-N 3.37Å; L157-C161 WeakPolarHBondContact O-CA 3.39Å; L157-C161 WeakPolarHBondContact O-CB 3.3Å; L157-C161 PolarHBondContact O-N 3.18Å; L157-V165 HydrophobicContact CB-CG1 3.95Å; L157-V165 HydrophobicContact CB-CG2 3.69Å; L157-V165 HydrophobicContact CD1-CG1 3.75Å; L157-V165 HydrophobicContact CG-CG1 4.5Å; L157-Y226 HydrophobicContact CD1-CD1 3.77Å; L157-Y226 HydrophobicContact CD1-CE1 4.47Å; L157-Y226 HydrophobicContact CD2-CD1 4.01Å |
| 158 | R | 85.2 | Confident | 82.4 | Confident | 138 Ų | 138 | 63 Ų | 63 | 52% | 0.521 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.5 | -78.1 | 173.4 | 176.5 | -126 | 6.3 | 111.9 | E154 G163 V165 | E154-R158 HydrophobicContact CG-CG 4.35Å; E154-R158 WeakPolarHBondContact O-CB 3.43Å; E154-R158 VanDerWaalsContact O-CG 3.28Å; E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 3.07Å; E154-R158 IonicContact OE1-CZ 3.19Å; E154-R158 IonicContact OE1-NE 2.92Å; E154-R158 PolarHBondContact OE1-NE 3.38Å; E154-R158 IonicContact OE1-NH2 2.66Å; E154-R158 PolarHBondContact OE1-NH2 3.46Å; R158-G163 PolarHBondContact O-N 3.42Å; R158-V165 HydrophobicContact CG-CG2 4.09Å |
| 159 | R | 82.2 | Confident | 82 | Confident | 164 Ų | 164 | 61.7 Ų | 61.7 | 62% | 0.619 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.3 | -47.4 | 176.4 | -66.8 | 177.8 | -164.2 | 137.8 | 5.7 | 111.7 | A155 F156 L157 | A155-R159 WeakPolarHBondContact O-CG 3.29Å; A155-R159 PolarHBondContact O-N 3.46Å; F156-R159 PolarHBondContact O-N 3.13Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 3.44Å |
| 160 | R | 76.7 | Confident | 81.6 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -81.8 | -31 | -173.6 | -170.3 | -178.2 | 61.1 | 149.3 | 3.5 | 115 | F156 L157 R225 | F156-R160 PolarHBondContact O-N 2.98Å; L157-R160 PolarHBondContact O-N 3.37Å; R160-R225 VanDerWaalsContact CZ-O 3.31Å; R160-R225 PolarHBondContact NH1-O 2.96Å; R160-R225 PolarHBondContact NH2-O 3.4Å |
| 161 | C | 68.3 | Low | 80.9 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 26.9 | -173.2 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | L157 G163 I164 | L157-C161 WeakPolarHBondContact O-CA 3.39Å; L157-C161 WeakPolarHBondContact O-CB 3.3Å; L157-C161 PolarHBondContact O-N 3.18Å; C161-G163 PolarHBondContact O-N 3.29Å; C161-G163 VanDerWaalsContact O-N 3.08Å; C161-I164 PolarHBondContact O-N 3.09Å |
| 162 | N | 64.6 | Low | 80.4 | Confident | 146 Ų | 146 | 62 Ų | 62 | 78% | 0.781 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 37.5 | -179.8 | -57.5 | 69.6 | 0 | 0 | 0 | 112.3 | I164 | N162-I164 VanDerWaalsContact C-N 3.3Å; N162-I164 PolarHBondContact O-N 2.86Å |
| 163 | G | 64.5 | Low | 79.9 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -9.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117 | R158 C161 V165 | R158-G163 PolarHBondContact O-N 3.42Å; C161-G163 PolarHBondContact O-N 3.29Å; C161-G163 VanDerWaalsContact O-N 3.08Å; G163-V165 PolarHBondContact O-N 3.29Å |
| 164 | I | 66.5 | Low | 79.8 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 68% | 0.677 | 38% | 0.378 | S | S | * | . | trans | -98.6 | 94.8 | 179.7 | -54.8 | 177.1 | 0 | 0 | 0 | 109.7 | C161 N162 V166 | C161-I164 PolarHBondContact O-N 3.09Å; N162-I164 VanDerWaalsContact C-N 3.3Å; N162-I164 PolarHBondContact O-N 2.86Å; I164-V166 HydrophobicContact CG2-CG2 4.21Å | ||
| 165 | V | 74.3 | Confident | 79.9 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | trans | -103.1 | 102.7 | 177.5 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | L157 R158 G163 M167 | L157-V165 HydrophobicContact CB-CG1 3.95Å; L157-V165 HydrophobicContact CB-CG2 3.69Å; L157-V165 HydrophobicContact CD1-CG1 3.75Å; L157-V165 HydrophobicContact CG-CG1 4.5Å; R158-V165 HydrophobicContact CG-CG2 4.09Å; G163-V165 PolarHBondContact O-N 3.29Å; V165-M167 HydrophobicContact CG1-CE 3.52Å | ||
| 166 | V | 77.8 | Confident | 80.1 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 58% | 0.576 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 127.7 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | I164 Y226 | I164-V166 HydrophobicContact CG2-CG2 4.21Å; V166-Y226 VanDerWaalsContact O-CE1 3.3Å; V166-Y226 WeakPolarHBondContact O-CE1 3.45Å; V166-Y226 VanDerWaalsContact O-CZ 3.31Å; V166-Y226 PolarHBondContact O-OH 3.37Å |
| 167 | M | 83 | Confident | 80.3 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 41% | 0.414 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 130.5 | 175.5 | -71.9 | -62.9 | 103.9 | 0 | 0 | 110.6 | V165 | V165-M167 HydrophobicContact CG1-CE 3.52Š|
| 168 | P | 84.7 | Confident | 80.7 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 146.9 | -176.5 | 27.9 | -31.5 | 0 | 0 | 0 | 112.2 | I175 L177 I222 Y226 | P168-I175 HydrophobicContact CG-CB 4.47Å; P168-I175 PolarHBondContact O-N 3.36Å; P168-L177 HydrophobicContact CG-CD1 4.32Å; P168-L177 HydrophobicContact CG-CD2 3.77Å; P168-L177 HydrophobicContact CG-CG 4.24Å; P168-I222 HydrophobicContact CB-CB 4.45Å; P168-I222 HydrophobicContact CB-CD1 3.85Å; P168-I222 HydrophobicContact CB-CG1 3.82Å; P168-I222 HydrophobicContact CB-CG2 3.8Å; P168-I222 HydrophobicContact CG-CG2 3.65Å; P168-Y226 HydrophobicContact CB-CD2 4.35Å; P168-Y226 HydrophobicContact CB-CE2 3.81Å; P168-Y226 HydrophobicContact CG-CD2 4.1Å; P168-Y226 HydrophobicContact CG-CE2 3.94Å |
| 169 | S | 85.4 | Confident | 81 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.1 | 174.6 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | M39 R173 | M39-S169 WeakPolarHBondContact CE-O 3.23Å; S169-R173 CarbonylContact C-O 3.58Å; S169-R173 WeakPolarHBondContact CA-O 3.45Å; S169-R173 WeakPolarHBondContact CB-O 3.45Å |
| 170 | I | 84.4 | Confident | 81.6 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | 168.4 | -60.1 | 171.8 | 0 | 0 | 0 | 106.4 | G172 R173 I175 I208 A219 I222 | I170-G172 VanDerWaalsContact C-N 3.34Å; I170-G172 PolarHBondContact O-N 3Å; I170-R173 PolarHBondContact N-O 3.46Å; I170-R173 WeakPolarHBondContact O-CB 3.33Å; I170-R173 PolarHBondContact O-N 3.32Å; I170-I175 HydrophobicContact CB-CD1 3.96Å; I170-I175 HydrophobicContact CB-CG1 4.36Å; I170-I175 HydrophobicContact CD1-CD1 3.9Å; I170-I175 HydrophobicContact CD1-CG1 4.04Å; I170-I175 HydrophobicContact CG1-CD1 3.89Å; I170-I175 HydrophobicContact CG1-CG1 3.86Å; I170-I208 HydrophobicContact CB-CD1 4.11Å; I170-I208 HydrophobicContact CD1-CD1 3.52Å; I170-I208 HydrophobicContact CG1-CD1 4.37Å; I170-I208 HydrophobicContact CG2-CD1 4.24Å; I170-A219 HydrophobicContact CD1-CB 4.41Å; I170-I222 HydrophobicContact CD1-CD1 3.6Å; I170-I222 HydrophobicContact CG1-CD1 3.41Å; I170-I222 VanDerWaalsContact CG1-CD1 3.41Å |
| 171 | N | 77.6 | Confident | 82.5 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 53.3 | -179.2 | -62.2 | 23.6 | 0 | 0 | 0 | 112 | R173 C212 | N171-R173 PolarHBondContact O-N 3.04Å; N171-C212 VanDerWaalsContact CG-SG 3.59Å; N171-C212 PolarHBondContact ND2-SG 2.66Å; N171-C212 PolarHBondContact OD1-SG 3.19Å |
| 172 | G | 80.1 | Confident | 83.7 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | -16.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | I170 | I170-G172 VanDerWaalsContact C-N 3.34Å; I170-G172 PolarHBondContact O-N 3Å |
| 173 | R | 82.4 | Confident | 85.1 | Confident | 155 Ų | 155 | 62.5 Ų | 62.5 | 59% | 0.585 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.7 | 179.6 | -63 | -174.1 | -178.6 | -166 | -3.3 | 110.7 | S169 I170 N171 I175 G207 | S169-R173 CarbonylContact C-O 3.58Å; S169-R173 WeakPolarHBondContact CA-O 3.45Å; S169-R173 WeakPolarHBondContact CB-O 3.45Å; I170-R173 PolarHBondContact N-O 3.46Å; I170-R173 WeakPolarHBondContact O-CB 3.33Å; I170-R173 PolarHBondContact O-N 3.32Å; N171-R173 PolarHBondContact O-N 3.04Å; R173-I175 PolarHBondContact O-N 3Å; R173-G207 PolarHBondContact NH1-O 2.95Å |
| 174 | R | 87.8 | Confident | 86.6 | Confident | 194 Ų | 194 | 60.1 Ų | 60.1 | 73% | 0.732 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 130.2 | 171.4 | -66.3 | -177.3 | 175.9 | -160.5 | -1.3 | 109.4 | ||
| 175 | I | 90.5 | Very high | 87.9 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 125.5 | -179.8 | -59.5 | -51 | 0 | 0 | 0 | 110 | P168 I170 R173 L177 L180 L206 I208 I222 | P168-I175 HydrophobicContact CG-CB 4.47Å; P168-I175 PolarHBondContact O-N 3.36Å; I170-I175 HydrophobicContact CB-CD1 3.96Å; I170-I175 HydrophobicContact CB-CG1 4.36Å; I170-I175 HydrophobicContact CD1-CD1 3.9Å; I170-I175 HydrophobicContact CD1-CG1 4.04Å; I170-I175 HydrophobicContact CG1-CD1 3.89Å; I170-I175 HydrophobicContact CG1-CG1 3.86Å; R173-I175 PolarHBondContact O-N 3Å; I175-L177 PolarHBondContact O-N 3.49Å; I175-L180 HydrophobicContact CG2-CD2 4.17Å; I175-L206 HydrophobicContact CG2-CD1 4.29Å; I175-L206 HydrophobicContact CG2-CD2 4.31Å; I175-I208 HydrophobicContact CD1-CD1 3.86Å; I175-I208 HydrophobicContact CD1-CG1 4.44Å; I175-I222 HydrophobicContact CG1-CD1 3.87Å |
| 176 | D | 91.5 | Very high | 88.8 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | trans | -74.7 | 101.7 | 170.3 | -173 | -24.8 | 0 | 0 | 0 | 109.3 | Y178 R179 L180 | D176-Y178 PolarHBondContact O-N 2.9Å; D176-Y178 WeakPolarHBondContact OD1-CB 3.36Å; D176-Y178 PolarHBondContact OD1-N 3.19Å; D176-R179 HydrophobicContact CB-CB 4.13Å; D176-R179 HydrophobicContact CB-CG 4.28Å; D176-R179 PolarHBondContact O-N 2.95Å; D176-R179 PolarHBondContact OD1-N 3.44Å; D176-R179 VanDerWaalsContact OD1-N 3.13Å; D176-R179 WeakPolarHBondContact OD2-CD 3.27Å; D176-R179 WeakPolarHBondContact OD2-CG 3.31Å; D176-R179 IonicContact OD2-NE 3.4Å; D176-L180 WeakPolarHBondContact O-CB 3.34Å; D176-L180 PolarHBondContact O-N 3.38Å | ||
| 177 | L | 92.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -29.6 | -179.2 | -67.8 | -179.5 | 0 | 0 | 0 | 112.8 | F149 L153 P168 I175 L180 Y181 I222 Y226 L227 | F149-L177 HydrophobicContact CE1-CB 4.46Å; L153-L177 HydrophobicContact CD2-CB 3.98Å; L153-L177 HydrophobicContact CD2-CD1 3.68Å; L153-L177 HydrophobicContact CD2-CG 4.47Å; P168-L177 HydrophobicContact CG-CD1 4.32Å; P168-L177 HydrophobicContact CG-CD2 3.77Å; P168-L177 HydrophobicContact CG-CG 4.24Å; I175-L177 PolarHBondContact O-N 3.49Å; L177-L180 HydrophobicContact CD2-CD2 4.35Å; L177-Y181 VanDerWaalsContact O-CB 3.23Å; L177-Y181 WeakPolarHBondContact O-CB 3.43Å; L177-Y181 PolarHBondContact O-N 2.8Å; L177-I222 HydrophobicContact CD2-CG2 3.83Å; L177-Y226 HydrophobicContact CD1-CD1 4.42Å; L177-Y226 HydrophobicContact CD1-CG 4.46Å; L177-L227 HydrophobicContact CB-CD2 4.48Å; L177-L227 HydrophobicContact CD2-CD1 4.26Å; L177-L227 HydrophobicContact CD2-CG 4.49Å |
| 178 | Y | 93.8 | Very high | 90 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.7 | -46.4 | 179.2 | 170.1 | -108.2 | 0 | 0 | 0 | 111 | E142 R146 F149 D176 L180 Y181 R182 | E142-Y178 VanDerWaalsContact CD-OH 3.28Å; E142-Y178 WeakPolarHBondContact OE1-CE1 3.27Å; E142-Y178 PolarHBondContact OE1-OH 3.17Å; R146-Y178 HydrophobicContact CB-CD1 3.73Å; R146-Y178 HydrophobicContact CB-CE1 3.61Å; R146-Y178 HydrophobicContact CB-CE2 4.47Å; R146-Y178 HydrophobicContact CB-CG 4.17Å; R146-Y178 HydrophobicContact CG-CD1 3.54Å; R146-Y178 HydrophobicContact CG-CE1 3.97Å; R146-Y178 HydrophobicContact CG-CG 3.88Å; F149-Y178 HydrophobicContact CB-CD2 3.71Å; F149-Y178 HydrophobicContact CB-CE2 4.13Å; F149-Y178 AromaticContact CD1-CD2 3.64Å; F149-Y178 HydrophobicContact CD1-CD2 3.64Å; F149-Y178 HydrophobicContact CD1-CG 4.07Å; F149-Y178 HydrophobicContact CD2-CD2 4.15Å; F149-Y178 VanDerWaalsContact CE1-CA 3.48Å; F149-Y178 HydrophobicContact CE1-CD2 4.27Å; F149-Y178 AromaticContact CG-CD2 3.56Å; F149-Y178 HydrophobicContact CG-CD2 3.56Å; F149-Y178 HydrophobicContact CG-CE2 4.36Å; F149-Y178 HydrophobicContact CG-CG 4.43Å; D176-Y178 PolarHBondContact O-N 2.9Å; D176-Y178 WeakPolarHBondContact OD1-CB 3.36Å; D176-Y178 PolarHBondContact OD1-N 3.19Å; Y178-L180 VanDerWaalsContact C-N 3.33Å; Y178-L180 PolarHBondContact O-N 3.47Å; Y178-Y181 PolarHBondContact O-N 2.94Å; Y178-R182 HydrophobicContact CD2-CG 4.33Å; Y178-R182 HydrophobicContact CE2-CG 4.01Å; Y178-R182 WeakPolarHBondContact O-CG 3.4Å; Y178-R182 PolarHBondContact O-N 2.98Å; Y178-R182 WeakPolarHBondContact OH-CD 3.32Å |
| 179 | R | 92.9 | Very high | 90.4 | Very high | 136 Ų | 136 | 58 Ų | 58 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 173.7 | -74.2 | -178.6 | 177.7 | -177.7 | 1.2 | 112.1 | D176 K183 | D176-R179 HydrophobicContact CB-CB 4.13Å; D176-R179 HydrophobicContact CB-CG 4.28Å; D176-R179 PolarHBondContact O-N 2.95Å; D176-R179 PolarHBondContact OD1-N 3.44Å; D176-R179 VanDerWaalsContact OD1-N 3.13Å; D176-R179 WeakPolarHBondContact OD2-CD 3.27Å; D176-R179 WeakPolarHBondContact OD2-CG 3.31Å; D176-R179 IonicContact OD2-NE 3.4Å; R179-K183 WeakPolarHBondContact O-CB 3.38Å; R179-K183 PolarHBondContact O-N 2.72Å |
| 180 | L | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -51 | 175.1 | 177 | 52.5 | 0 | 0 | 0 | 111.3 | I175 D176 L177 Y178 K183 V184 W199 V202 L206 I222 Y223 L227 | I175-L180 HydrophobicContact CG2-CD2 4.17Å; D176-L180 WeakPolarHBondContact O-CB 3.34Å; D176-L180 PolarHBondContact O-N 3.38Å; L177-L180 HydrophobicContact CD2-CD2 4.35Å; Y178-L180 VanDerWaalsContact C-N 3.33Å; Y178-L180 PolarHBondContact O-N 3.47Å; L180-K183 PolarHBondContact O-N 3.47Å; L180-V184 HydrophobicContact CD1-CG2 4.03Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 3.04Å; L180-V184 VanDerWaalsContact O-N 3.1Å; L180-W199 HydrophobicContact CD1-CZ3 4.39Å; L180-V202 HydrophobicContact CD1-CG1 3.59Å; L180-L206 HydrophobicContact CB-CD2 3.8Å; L180-L206 HydrophobicContact CD1-CD1 4.19Å; L180-L206 HydrophobicContact CD1-CD2 4.39Å; L180-I222 HydrophobicContact CD2-CG2 4.06Å; L180-Y223 HydrophobicContact CD1-CD2 4.13Å; L180-Y223 HydrophobicContact CD2-CD2 4.27Å; L180-Y223 HydrophobicContact CG-CD2 3.89Å; L180-L227 HydrophobicContact CB-CD1 4.32Å; L180-L227 HydrophobicContact CD2-CD1 3.93Å; L180-L227 HydrophobicContact CG-CD1 3.91Å |
| 181 | Y | 94.7 | Very high | 90.9 | Very high | 37 Ų | 37 | 61.7 Ų | 61.7 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -54.1 | 179.2 | 178 | -106.1 | 0 | 0 | 0 | 111.8 | F149 L177 Y178 K183 V184 V185 L227 Y230 E231 | F149-Y181 HydrophobicContact CD2-CD1 4.13Å; F149-Y181 HydrophobicContact CD2-CE1 4.42Å; F149-Y181 AromaticContact CE2-CD1 3.39Å; F149-Y181 HydrophobicContact CE2-CD1 3.39Å; F149-Y181 HydrophobicContact CE2-CD2 4.32Å; F149-Y181 AromaticContact CE2-CE1 3.87Å; F149-Y181 HydrophobicContact CE2-CE1 3.87Å; F149-Y181 AromaticContact CE2-CG 3.64Å; F149-Y181 HydrophobicContact CE2-CG 3.64Å; F149-Y181 HydrophobicContact CZ-CD1 4.01Å; F149-Y181 AromaticContact CZ-CG 3.85Å; F149-Y181 HydrophobicContact CZ-CG 3.85Å; L177-Y181 VanDerWaalsContact O-CB 3.23Å; L177-Y181 WeakPolarHBondContact O-CB 3.43Å; L177-Y181 PolarHBondContact O-N 2.8Å; Y178-Y181 PolarHBondContact O-N 2.94Å; Y181-K183 VanDerWaalsContact C-N 3.28Å; Y181-K183 PolarHBondContact O-N 3.12Å; Y181-V184 PolarHBondContact O-N 2.75Å; Y181-V185 HydrophobicContact CD1-CG2 4.36Å; Y181-V185 HydrophobicContact CD2-CG2 3.94Å; Y181-V185 HydrophobicContact CE1-CG2 4.05Å; Y181-V185 HydrophobicContact CE2-CG2 3.6Å; Y181-V185 HydrophobicContact CG-CG2 4.32Å; Y181-V185 WeakPolarHBondContact O-CB 3.45Å; Y181-V185 WeakPolarHBondContact O-CG2 3.15Å; Y181-V185 PolarHBondContact O-N 2.67Å; Y181-L227 HydrophobicContact CD2-CD2 4.45Å; Y181-Y230 HydrophobicContact CE2-CD1 4.24Å; Y181-Y230 HydrophobicContact CE2-CE1 4.43Å; Y181-E231 HydrophobicContact CE2-CB 4.13Å; Y181-E231 HydrophobicContact CE2-CG 4.39Å |
| 182 | R | 94.3 | Very high | 91.7 | Very high | 123 Ų | 123 | 64.7 Ų | 64.7 | 46% | 0.464 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.6 | -43.9 | 179.7 | -74.1 | -167.7 | 73.2 | -164 | 14.7 | 112.2 | E142 Y178 Q186 | E142-R182 IonicContact OE1-CZ 3.57Å; E142-R182 IonicContact OE1-NH1 2.61Å; E142-R182 PolarHBondContact OE1-NH1 3.2Å; E142-R182 IonicContact OE2-CZ 3.39Å; E142-R182 IonicContact OE2-NH1 2.68Å; E142-R182 PolarHBondContact OE2-NH1 3.13Å; E142-R182 IonicContact OE2-NH2 3.59Å; Y178-R182 HydrophobicContact CD2-CG 4.33Å; Y178-R182 HydrophobicContact CE2-CG 4.01Å; Y178-R182 WeakPolarHBondContact O-CG 3.4Å; Y178-R182 PolarHBondContact O-N 2.98Å; Y178-R182 WeakPolarHBondContact OH-CD 3.32Å; R182-Q186 VanDerWaalsContact O-CB 3.25Å; R182-Q186 WeakPolarHBondContact O-CB 3.45Å; R182-Q186 PolarHBondContact O-N 3.45Å |
| 183 | K | 94.6 | Very high | 92.3 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | -178.5 | -173.3 | 58 | 175.8 | -179.5 | 0 | 112.3 | R179 L180 Y181 Q186 M187 V202 V205 | R179-K183 WeakPolarHBondContact O-CB 3.38Å; R179-K183 PolarHBondContact O-N 2.72Å; L180-K183 PolarHBondContact O-N 3.47Å; Y181-K183 VanDerWaalsContact C-N 3.28Å; Y181-K183 PolarHBondContact O-N 3.12Å; K183-Q186 PolarHBondContact O-N 3.04Å; K183-M187 HydrophobicContact CG-SD 4.39Å; K183-M187 VanDerWaalsContact O-CG 3.31Å; K183-M187 WeakPolarHBondContact O-CG 3.46Å; K183-M187 PolarHBondContact O-N 2.98Å; K183-V202 HydrophobicContact CG-CG1 4.32Å; K183-V202 HydrophobicContact CG-CG2 4.41Å; K183-V205 HydrophobicContact CB-CG1 4.34Å; K183-V205 HydrophobicContact CD-CG2 3.9Å; K183-V205 HydrophobicContact CG-CB 4.38Å; K183-V205 HydrophobicContact CG-CG1 4.46Å; K183-V205 HydrophobicContact CG-CG2 3.97Å |
| 184 | V | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69 | -42 | -179.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L180 Y181 Q186 M187 G188 G189 V193 W199 V202 Y223 | L180-V184 HydrophobicContact CD1-CG2 4.03Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 3.04Å; L180-V184 VanDerWaalsContact O-N 3.1Å; Y181-V184 PolarHBondContact O-N 2.75Å; V184-Q186 PolarHBondContact O-N 3.42Å; V184-M187 CarbonylContact O-C 3.56Å; V184-M187 WeakPolarHBondContact O-CA 3.38Å; V184-M187 WeakPolarHBondContact O-CB 3.42Å; V184-M187 PolarHBondContact O-N 3.17Å; V184-M187 VanDerWaalsContact O-N 3.07Å; V184-G188 PolarHBondContact O-N 3.46Å; V184-G189 PolarHBondContact O-N 3.45Å; V184-V193 HydrophobicContact CG1-CB 4.45Å; V184-V193 HydrophobicContact CG1-CG2 4Å; V184-W199 HydrophobicContact CG2-CH2 4.07Å; V184-W199 HydrophobicContact CG2-CZ3 3.98Å; V184-V202 HydrophobicContact CG2-CG1 4.42Å; V184-V202 HydrophobicContact CG2-CG2 4.35Å; V184-Y223 HydrophobicContact CB-CD2 4.14Å; V184-Y223 HydrophobicContact CB-CE2 3.49Å; V184-Y223 VanDerWaalsContact CB-CE2 3.49Å; V184-Y223 HydrophobicContact CG1-CD2 4.19Å; V184-Y223 HydrophobicContact CG1-CE1 4.46Å; V184-Y223 HydrophobicContact CG1-CE2 3.49Å; V184-Y223 VanDerWaalsContact CG1-CE2 3.49Å; V184-Y223 HydrophobicContact CG2-CD2 3.82Å; V184-Y223 HydrophobicContact CG2-CE2 3.72Å |
| 185 | V | 93.4 | Very high | 92.9 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | Y181 M187 G188 | Y181-V185 HydrophobicContact CD1-CG2 4.36Å; Y181-V185 HydrophobicContact CD2-CG2 3.94Å; Y181-V185 HydrophobicContact CE1-CG2 4.05Å; Y181-V185 HydrophobicContact CE2-CG2 3.6Å; Y181-V185 HydrophobicContact CG-CG2 4.32Å; Y181-V185 WeakPolarHBondContact O-CB 3.45Å; Y181-V185 WeakPolarHBondContact O-CG2 3.15Å; Y181-V185 PolarHBondContact O-N 2.67Å; V185-M187 PolarHBondContact O-N 2.88Å; V185-G188 WeakPolarHBondContact O-CA 3.49Å; V185-G188 PolarHBondContact O-N 2.84Å |
| 186 | Q | 93.9 | Very high | 93 | Very high | 146 Ų | 146 | 55.1 Ų | 55.1 | 68% | 0.682 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.3 | -31.4 | 173.4 | -174.5 | -176.6 | 48.8 | 0 | 0 | 112.4 | R182 K183 V184 G188 | R182-Q186 VanDerWaalsContact O-CB 3.25Å; R182-Q186 WeakPolarHBondContact O-CB 3.45Å; R182-Q186 PolarHBondContact O-N 3.45Å; K183-Q186 PolarHBondContact O-N 3.04Å; V184-Q186 PolarHBondContact O-N 3.42Å; Q186-G188 VanDerWaalsContact C-N 3.27Å; Q186-G188 PolarHBondContact O-N 3.3Å |
| 187 | M | 93.3 | Very high | 93 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 16% | 0.163 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.4 | 176.1 | -66.4 | 174.7 | 72.2 | 0 | 0 | 113.7 | K183 V184 V185 K192 V193 K198 Q201 V202 | K183-M187 HydrophobicContact CG-SD 4.39Å; K183-M187 VanDerWaalsContact O-CG 3.31Å; K183-M187 WeakPolarHBondContact O-CG 3.46Å; K183-M187 PolarHBondContact O-N 2.98Å; V184-M187 CarbonylContact O-C 3.56Å; V184-M187 WeakPolarHBondContact O-CA 3.38Å; V184-M187 WeakPolarHBondContact O-CB 3.42Å; V184-M187 PolarHBondContact O-N 3.17Å; V184-M187 VanDerWaalsContact O-N 3.07Å; V185-M187 PolarHBondContact O-N 2.88Å; M187-K192 WeakPolarHBondContact O-CD 3.3Å; M187-V193 HydrophobicContact CB-CG2 3.45Å; M187-V193 VanDerWaalsContact CB-CG2 3.45Å; M187-V193 HydrophobicContact CE-CG1 4.43Å; M187-V193 HydrophobicContact CE-CG2 4.14Å; M187-V193 HydrophobicContact CG-CG2 4.38Å; M187-V193 HydrophobicContact SD-CG2 4.14Å; M187-K198 HydrophobicContact CE-CB 3.52Å; M187-K198 HydrophobicContact CE-CD 3.95Å; M187-K198 HydrophobicContact CE-CG 4.4Å; M187-Q201 HydrophobicContact CE-CB 4.33Å; M187-V202 HydrophobicContact SD-CG2 3.95Å |
| 188 | G | 92.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 58 Ų | 58 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 25.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V184 V185 Q186 K192 | V184-G188 PolarHBondContact O-N 3.46Å; V185-G188 WeakPolarHBondContact O-CA 3.49Å; V185-G188 PolarHBondContact O-N 2.84Å; Q186-G188 VanDerWaalsContact C-N 3.27Å; Q186-G188 PolarHBondContact O-N 3.3Å; G188-K192 WeakPolarHBondContact O-CB 3.43Å |
| 189 | G | 92.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | trans | 89.9 | 172.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115 | V184 T191 K192 V193 E231 | V184-G189 PolarHBondContact O-N 3.45Å; G189-T191 PolarHBondContact O-N 3.4Å; G189-K192 PolarHBondContact O-N 3.09Å; G189-V193 WeakPolarHBondContact O-CG2 3.1Å; G189-V193 PolarHBondContact O-N 3.12Å; G189-E231 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 190 | W | 90.8 | Very high | 92.8 | Very high | 30 Ų | 30 | 56 Ų | 56 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -51.8 | -51.9 | -175.3 | 166.2 | -102.8 | 0 | 0 | 0 | 113.6 | K192 V193 S194 W199 R220 Y223 M224 E231 | W190-K192 VanDerWaalsContact C-N 3.27Å; W190-K192 PolarHBondContact O-N 3.07Å; W190-V193 PolarHBondContact O-N 3.12Å; W190-S194 VanDerWaalsContact O-CB 3.25Å; W190-S194 WeakPolarHBondContact O-CB 3.19Å; W190-S194 PolarHBondContact O-N 2.91Å; W190-W199 HydrophobicContact CD2-CZ2 4.25Å; W190-W199 AromaticContact CE3-CH2 3.39Å; W190-W199 HydrophobicContact CE3-CH2 3.39Å; W190-W199 AromaticContact CE3-CZ2 3.24Å; W190-W199 HydrophobicContact CE3-CZ2 3.24Å; W190-W199 HydrophobicContact CH2-CZ2 4.1Å; W190-W199 AromaticContact CZ3-CH2 3.34Å; W190-W199 HydrophobicContact CZ3-CH2 3.34Å; W190-W199 AromaticContact CZ3-CZ2 3.13Å; W190-W199 HydrophobicContact CZ3-CZ2 3.13Å; W190-W199 HydrophobicContact CZ3-CZ3 4.46Å; W190-R220 HydrophobicContact CH2-CB 4.24Å; W190-R220 HydrophobicContact CH2-CG 3.21Å; W190-R220 WeakPolarHBondContact CH2-O 3.39Å; W190-R220 HydrophobicContact CZ2-CG 4.15Å; W190-R220 HydrophobicContact CZ3-CB 4.34Å; W190-R220 HydrophobicContact CZ3-CG 3.67Å; W190-R220 WeakPolarHBondContact CZ3-O 3.49Å; W190-Y223 HydrophobicContact CB-CD1 4.13Å; W190-Y223 HydrophobicContact CB-CE1 3.57Å; W190-Y223 AromaticContact CD2-CD1 3.83Å; W190-Y223 HydrophobicContact CD2-CD1 3.83Å; W190-Y223 HydrophobicContact CD2-CE1 4.2Å; W190-Y223 AromaticContact CE3-CD1 3.14Å; W190-Y223 HydrophobicContact CE3-CD1 3.14Å; W190-Y223 AromaticContact CE3-CE1 3.84Å; W190-Y223 HydrophobicContact CE3-CE1 3.84Å; W190-Y223 AromaticContact CE3-CG 3.65Å; W190-Y223 HydrophobicContact CE3-CG 3.65Å; W190-Y223 HydrophobicContact CG-CD1 4.26Å; W190-Y223 HydrophobicContact CG-CE1 4.14Å; W190-Y223 AromaticContact CZ3-CD1 3.78Å; W190-Y223 HydrophobicContact CZ3-CD1 3.78Å; W190-Y223 AromaticContact CZ3-CG 3.98Å; W190-Y223 HydrophobicContact CZ3-CG 3.98Å; W190-M224 HydrophobicContact CH2-CB 3.6Å; W190-M224 HydrophobicContact CH2-CG 4.32Å; W190-M224 HydrophobicContact CZ2-CB 3.88Å; W190-M224 HydrophobicContact CZ2-CG 4.1Å; W190-M224 HydrophobicContact CZ2-SD 4.33Å; W190-M224 HydrophobicContact CZ3-CB 4.31Å; W190-E231 WeakPolarHBondContact CB-OE2 3.33Å; W190-E231 PolarHBondContact N-OE1 3Å |
| 191 | T | 91.4 | Very high | 92.7 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.7 | -40.3 | -173.4 | -55.2 | 0 | 0 | 0 | 0 | 111 | G189 S195 | G189-T191 PolarHBondContact O-N 3.4Å; T191-S195 WeakPolarHBondContact O-CB 3.41Å; T191-S195 PolarHBondContact O-N 3.41Å; T191-S195 PolarHBondContact O-OG 3.25Å |
| 192 | K | 92.9 | Very high | 92.6 | Very high | 109 Ų | 109 | 59.5 Ų | 59.5 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.6 | -44.3 | -179.7 | -167.9 | 172.2 | 179.2 | -177.6 | 0 | 112 | M187 G188 G189 W190 S194 S195 M196 | M187-K192 WeakPolarHBondContact O-CD 3.3Å; G188-K192 WeakPolarHBondContact O-CB 3.43Å; G189-K192 PolarHBondContact O-N 3.09Å; W190-K192 VanDerWaalsContact C-N 3.27Å; W190-K192 PolarHBondContact O-N 3.07Å; K192-S194 VanDerWaalsContact C-N 3.3Å; K192-S194 PolarHBondContact O-N 3.34Å; K192-S195 PolarHBondContact O-N 3.16Å; K192-S195 PolarHBondContact O-OG 3.17Å; K192-S195 VanDerWaalsContact O-OG 3.07Å; K192-M196 HydrophobicContact CG-CG 4.5Å; K192-M196 HydrophobicContact CG-SD 4.05Å; K192-M196 WeakPolarHBondContact O-CB 3.34Å; K192-M196 WeakPolarHBondContact O-CG 3.3Å; K192-M196 PolarHBondContact O-N 3.09Å |
| 193 | V | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | V184 M187 G189 W190 G197 K198 W199 V202 | V184-V193 HydrophobicContact CG1-CB 4.45Å; V184-V193 HydrophobicContact CG1-CG2 4Å; M187-V193 HydrophobicContact CB-CG2 3.45Å; M187-V193 VanDerWaalsContact CB-CG2 3.45Å; M187-V193 HydrophobicContact CE-CG1 4.43Å; M187-V193 HydrophobicContact CE-CG2 4.14Å; M187-V193 HydrophobicContact CG-CG2 4.38Å; M187-V193 HydrophobicContact SD-CG2 4.14Å; G189-V193 WeakPolarHBondContact O-CG2 3.1Å; G189-V193 PolarHBondContact O-N 3.12Å; W190-V193 PolarHBondContact O-N 3.12Å; V193-G197 PolarHBondContact O-N 3.21Å; V193-G197 VanDerWaalsContact O-N 3.14Å; V193-K198 PolarHBondContact O-N 2.96Å; V193-W199 HydrophobicContact CB-CZ2 4.36Å; V193-W199 HydrophobicContact CG1-CD2 3.94Å; V193-W199 HydrophobicContact CG1-CE3 4.33Å; V193-W199 HydrophobicContact CG1-CG 4.3Å; V193-W199 HydrophobicContact CG1-CH2 4.35Å; V193-W199 HydrophobicContact CG1-CZ2 3.97Å; V193-V202 HydrophobicContact CG1-CG2 4.34Å |
| 194 | S | 91.7 | Very high | 92.2 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.9 | -38 | 179.2 | -169.1 | 0 | 0 | 0 | 0 | 113.2 | W190 K192 G197 R220 | W190-S194 VanDerWaalsContact O-CB 3.25Å; W190-S194 WeakPolarHBondContact O-CB 3.19Å; W190-S194 PolarHBondContact O-N 2.91Å; K192-S194 VanDerWaalsContact C-N 3.3Å; K192-S194 PolarHBondContact O-N 3.34Å; S194-G197 PolarHBondContact O-N 3.3Å; S194-R220 VanDerWaalsContact OG-CZ 3.26Å; S194-R220 PolarHBondContact OG-NE 2.85Å; S194-R220 PolarHBondContact OG-NH2 3.37Å; S194-R220 VanDerWaalsContact OG-NH2 3.12Å |
| 195 | S | 92 | Very high | 92 | Very high | 96 Ų | 96 | 58.4 Ų | 58.4 | 67% | 0.671 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70.9 | -35.4 | 176.8 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | T191 K192 G197 | T191-S195 WeakPolarHBondContact O-CB 3.41Å; T191-S195 PolarHBondContact O-N 3.41Å; T191-S195 PolarHBondContact O-OG 3.25Å; K192-S195 PolarHBondContact O-N 3.16Å; K192-S195 PolarHBondContact O-OG 3.17Å; K192-S195 VanDerWaalsContact O-OG 3.07Å; S195-G197 VanDerWaalsContact C-N 3.31Å; S195-G197 PolarHBondContact O-N 3.18Å |
| 196 | M | 92.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 56.6 Ų | 56.6 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -9.5 | 177.9 | -62.2 | -175.5 | 95.7 | 0 | 0 | 113.9 | K192 K198 | K192-M196 HydrophobicContact CG-CG 4.5Å; K192-M196 HydrophobicContact CG-SD 4.05Å; K192-M196 WeakPolarHBondContact O-CB 3.34Å; K192-M196 WeakPolarHBondContact O-CG 3.3Å; K192-M196 PolarHBondContact O-N 3.09Å; M196-K198 HydrophobicContact CB-CB 4.49Å; M196-K198 HydrophobicContact CB-CD 3.91Å; M196-K198 HydrophobicContact CB-CG 3.78Å; M196-K198 HydrophobicContact CE-CD 4.29Å; M196-K198 VanDerWaalsContact CE-CE 3.45Å; M196-K198 PolarHBondContact O-N 3.09Å; M196-K198 HydrophobicContact SD-CD 3.96Å |
| 197 | G | 90.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 26.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V193 S194 S195 W199 | V193-G197 PolarHBondContact O-N 3.21Å; V193-G197 VanDerWaalsContact O-N 3.14Å; S194-G197 PolarHBondContact O-N 3.3Å; S195-G197 VanDerWaalsContact C-N 3.31Å; S195-G197 PolarHBondContact O-N 3.18Å; G197-W199 VanDerWaalsContact C-N 3.3Å; G197-W199 PolarHBondContact O-N 3.47Å |
| 198 | K | 91.7 | Very high | 91.1 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 30% | 0.3 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -89.7 | 18.7 | -172.8 | -68.1 | -179.4 | 175.5 | -179.8 | 0 | 114.5 | M187 V193 M196 N200 Q201 | M187-K198 HydrophobicContact CE-CB 3.52Å; M187-K198 HydrophobicContact CE-CD 3.95Å; M187-K198 HydrophobicContact CE-CG 4.4Å; V193-K198 PolarHBondContact O-N 2.96Å; M196-K198 HydrophobicContact CB-CB 4.49Å; M196-K198 HydrophobicContact CB-CD 3.91Å; M196-K198 HydrophobicContact CB-CG 3.78Å; M196-K198 HydrophobicContact CE-CD 4.29Å; M196-K198 VanDerWaalsContact CE-CE 3.45Å; M196-K198 PolarHBondContact O-N 3.09Å; M196-K198 HydrophobicContact SD-CD 3.96Å; K198-N200 PolarHBondContact O-N 3.18Å; K198-Q201 WeakPolarHBondContact O-CB 3.31Å; K198-Q201 PolarHBondContact O-N 3.45Å |
| 199 | W | 92.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -57.2 | -30.7 | 177.7 | -72.7 | 103.8 | 0 | 0 | 0 | 112.9 | L180 V184 W190 V193 G197 Q201 V202 L203 D216 A219 R220 Y223 | L180-W199 HydrophobicContact CD1-CZ3 4.39Å; V184-W199 HydrophobicContact CG2-CH2 4.07Å; V184-W199 HydrophobicContact CG2-CZ3 3.98Å; W190-W199 HydrophobicContact CD2-CZ2 4.25Å; W190-W199 AromaticContact CE3-CH2 3.39Å; W190-W199 HydrophobicContact CE3-CH2 3.39Å; W190-W199 AromaticContact CE3-CZ2 3.24Å; W190-W199 HydrophobicContact CE3-CZ2 3.24Å; W190-W199 HydrophobicContact CH2-CZ2 4.1Å; W190-W199 AromaticContact CZ3-CH2 3.34Å; W190-W199 HydrophobicContact CZ3-CH2 3.34Å; W190-W199 AromaticContact CZ3-CZ2 3.13Å; W190-W199 HydrophobicContact CZ3-CZ2 3.13Å; W190-W199 HydrophobicContact CZ3-CZ3 4.46Å; V193-W199 HydrophobicContact CB-CZ2 4.36Å; V193-W199 HydrophobicContact CG1-CD2 3.94Å; V193-W199 HydrophobicContact CG1-CE3 4.33Å; V193-W199 HydrophobicContact CG1-CG 4.3Å; V193-W199 HydrophobicContact CG1-CH2 4.35Å; V193-W199 HydrophobicContact CG1-CZ2 3.97Å; G197-W199 VanDerWaalsContact C-N 3.3Å; G197-W199 PolarHBondContact O-N 3.47Å; W199-Q201 PolarHBondContact O-N 3.33Å; W199-V202 HydrophobicContact CE3-CG2 4.35Å; W199-V202 WeakPolarHBondContact O-CB 3.3Å; W199-V202 PolarHBondContact O-N 3.13Å; W199-L203 PolarHBondContact O-N 2.92Å; W199-D216 HydrophobicContact CB-CB 3.72Å; W199-A219 HydrophobicContact CE3-CB 4.05Å; W199-A219 HydrophobicContact CZ3-CB 4.47Å; W199-R220 HydrophobicContact CD2-CB 3.97Å; W199-R220 HydrophobicContact CE3-CB 4.41Å; W199-R220 HydrophobicContact CG-CB 4.35Å; W199-R220 HydrophobicContact CZ2-CB 4.28Å; W199-R220 HydrophobicContact CZ2-CG 4.13Å; W199-Y223 HydrophobicContact CH2-CD2 4.24Å; W199-Y223 AromaticContact CH2-CG 3.99Å; W199-Y223 HydrophobicContact CH2-CG 3.99Å |
| 200 | N | 91.1 | Very high | 89.8 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -58.1 | -27.8 | 172.5 | -67.4 | -53.5 | 0 | 0 | 0 | 113.9 | K198 V202 P204 | K198-N200 PolarHBondContact O-N 3.18Å; N200-V202 VanDerWaalsContact C-N 3.31Å; N200-P204 VanDerWaalsContact O-CD 3.29Å; N200-P204 WeakPolarHBondContact O-CD 3.48Å |
| 201 | Q | 91.7 | Very high | 89.1 | Confident | 110 Ų | 110 | 60.4 Ų | 60.4 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -81.2 | -13.5 | 176.4 | -58.5 | -176.1 | 14.4 | 0 | 0 | 112.9 | M187 K198 W199 | M187-Q201 HydrophobicContact CE-CB 4.33Å; K198-Q201 WeakPolarHBondContact O-CB 3.31Å; K198-Q201 PolarHBondContact O-N 3.45Å; W199-Q201 PolarHBondContact O-N 3.33Å |
| 202 | V | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -33.4 | 178.6 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | L180 K183 V184 M187 V193 W199 N200 P204 V205 L206 | L180-V202 HydrophobicContact CD1-CG1 3.59Å; K183-V202 HydrophobicContact CG-CG1 4.32Å; K183-V202 HydrophobicContact CG-CG2 4.41Å; V184-V202 HydrophobicContact CG2-CG1 4.42Å; V184-V202 HydrophobicContact CG2-CG2 4.35Å; M187-V202 HydrophobicContact SD-CG2 3.95Å; V193-V202 HydrophobicContact CG1-CG2 4.34Å; W199-V202 HydrophobicContact CE3-CG2 4.35Å; W199-V202 WeakPolarHBondContact O-CB 3.3Å; W199-V202 PolarHBondContact O-N 3.13Å; N200-V202 VanDerWaalsContact C-N 3.31Å; V202-P204 VanDerWaalsContact C-CD 3.49Å; V202-V205 WeakPolarHBondContact O-CB 3.32Å; V202-V205 PolarHBondContact O-N 3.31Å; V202-V205 VanDerWaalsContact O-N 3.08Å; V202-L206 HydrophobicContact CG1-CD1 4.39Å; V202-L206 HydrophobicContact CG1-CG 4.45Å; V202-L206 PolarHBondContact O-N 2.97Å |
| 203 | L | 91.6 | Very high | 88 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -53.2 | -45 | -178.5 | -57.3 | 179.3 | 0 | 0 | 0 | 114.5 | W199 V205 L206 G207 I208 G215 D216 A219 | W199-L203 PolarHBondContact O-N 2.92Å; L203-V205 PolarHBondContact O-N 3.4Å; L203-L206 PolarHBondContact O-N 2.86Å; L203-G207 PolarHBondContact O-N 3.21Å; L203-I208 CarbonylContact C-O 3.57Å; L203-I208 HydrophobicContact CB-CB 4.17Å; L203-I208 HydrophobicContact CD2-CB 4.37Å; L203-I208 HydrophobicContact CD2-CD1 4.07Å; L203-I208 HydrophobicContact CD2-CG2 4.34Å; L203-I208 PolarHBondContact O-N 2.98Å; L203-G215 VanDerWaalsContact CD2-C 3.45Å; L203-G215 VanDerWaalsContact CD2-O 3.3Å; L203-G215 WeakPolarHBondContact CD2-O 3.1Å; L203-D216 HydrophobicContact CD1-CB 4.35Å; L203-A219 HydrophobicContact CD2-CB 3.98Å |
| 204 | P | 90.4 | Very high | 87.6 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -61 | -33.4 | 179.7 | -24 | 35.3 | 0 | 0 | 0 | 112.8 | N200 V202 L206 G207 | N200-P204 VanDerWaalsContact O-CD 3.29Å; N200-P204 WeakPolarHBondContact O-CD 3.48Å; V202-P204 VanDerWaalsContact C-CD 3.49Å; P204-L206 VanDerWaalsContact C-N 3.29Å; P204-L206 PolarHBondContact O-N 2.95Å; P204-G207 PolarHBondContact O-N 3.46Å; P204-G207 VanDerWaalsContact O-N 3.07Å |
| 205 | V | 89.2 | Confident | 87.4 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -69.9 | -30.4 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | K183 V202 L203 G207 | K183-V205 HydrophobicContact CB-CG1 4.34Å; K183-V205 HydrophobicContact CD-CG2 3.9Å; K183-V205 HydrophobicContact CG-CB 4.38Å; K183-V205 HydrophobicContact CG-CG1 4.46Å; K183-V205 HydrophobicContact CG-CG2 3.97Å; V202-V205 WeakPolarHBondContact O-CB 3.32Å; V202-V205 PolarHBondContact O-N 3.31Å; V202-V205 VanDerWaalsContact O-N 3.08Å; L203-V205 PolarHBondContact O-N 3.4Å; V205-G207 PolarHBondContact O-N 3.35Å |
| 206 | L | 89.2 | Confident | 87.2 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -81.6 | -2.1 | 174.1 | -54.9 | -179.3 | 0 | 0 | 0 | 112.5 | I175 L180 V202 L203 P204 I208 A219 | I175-L206 HydrophobicContact CG2-CD1 4.29Å; I175-L206 HydrophobicContact CG2-CD2 4.31Å; L180-L206 HydrophobicContact CB-CD2 3.8Å; L180-L206 HydrophobicContact CD1-CD1 4.19Å; L180-L206 HydrophobicContact CD1-CD2 4.39Å; V202-L206 HydrophobicContact CG1-CD1 4.39Å; V202-L206 HydrophobicContact CG1-CG 4.45Å; V202-L206 PolarHBondContact O-N 2.97Å; L203-L206 PolarHBondContact O-N 2.86Å; P204-L206 VanDerWaalsContact C-N 3.29Å; P204-L206 PolarHBondContact O-N 2.95Å; L206-I208 HydrophobicContact CB-CD1 3.84Å; L206-I208 HydrophobicContact CB-CG1 3.9Å; L206-I208 HydrophobicContact CD1-CD1 3.87Å; L206-I208 PolarHBondContact O-N 3.45Å; L206-A219 HydrophobicContact CD1-CB 4.32Å |
| 207 | G | 86.8 | Confident | 87.1 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 24.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R173 L203 P204 V205 | R173-G207 PolarHBondContact NH1-O 2.95Å; L203-G207 PolarHBondContact O-N 3.21Å; P204-G207 PolarHBondContact O-N 3.46Å; P204-G207 VanDerWaalsContact O-N 3.07Å; V205-G207 PolarHBondContact O-N 3.35Å |
| 208 | I | 85.3 | Confident | 87.1 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | trans | -91 | 121.1 | 175.2 | -59 | 170 | 0 | 0 | 0 | 107.3 | I170 I175 L203 L206 C212 | I170-I208 HydrophobicContact CB-CD1 4.11Å; I170-I208 HydrophobicContact CD1-CD1 3.52Å; I170-I208 HydrophobicContact CG1-CD1 4.37Å; I170-I208 HydrophobicContact CG2-CD1 4.24Å; I175-I208 HydrophobicContact CD1-CD1 3.86Å; I175-I208 HydrophobicContact CD1-CG1 4.44Å; L203-I208 CarbonylContact C-O 3.57Å; L203-I208 HydrophobicContact CB-CB 4.17Å; L203-I208 HydrophobicContact CD2-CB 4.37Å; L203-I208 HydrophobicContact CD2-CD1 4.07Å; L203-I208 HydrophobicContact CD2-CG2 4.34Å; L203-I208 PolarHBondContact O-N 2.98Å; L206-I208 HydrophobicContact CB-CD1 3.84Å; L206-I208 HydrophobicContact CB-CG1 3.9Å; L206-I208 HydrophobicContact CD1-CD1 3.87Å; L206-I208 PolarHBondContact O-N 3.45Å; I208-C212 HydrophobicContact CG2-CB 3.5Å; I208-C212 VanDerWaalsContact CG2-CB 3.5Å | ||
| 209 | G | 81 | Confident | 87.1 | Confident | 32 Ų | 32 | 56 Ų | 56 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | trans | -65.3 | 151.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N211 C212 | G209-N211 WeakPolarHBondContact CA-OD1 3.33Å; G209-N211 PolarHBondContact O-N 3.14Å; G209-N211 VanDerWaalsContact O-N 3.12Å; G209-N211 PolarHBondContact O-OD1 3.3Å; G209-C212 WeakPolarHBondContact O-CB 3.4Å; G209-C212 PolarHBondContact O-N 3.25Å | ||
| 210 | S | 76.9 | Confident | 87.1 | Confident | 127 Ų | 127 | 60.8 Ų | 60.8 | 89% | 0.888 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | 174.2 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | C212 | S210-C212 PolarHBondContact O-N 3.4Š|
| 211 | N | 77.1 | Confident | 87.1 | Confident | 130 Ų | 130 | 58.1 Ų | 58.1 | 70% | 0.695 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -9.3 | 172.6 | 65.2 | -29.5 | 0 | 0 | 0 | 113.4 | G209 L213 | G209-N211 WeakPolarHBondContact CA-OD1 3.33Å; G209-N211 PolarHBondContact O-N 3.14Å; G209-N211 VanDerWaalsContact O-N 3.12Å; G209-N211 PolarHBondContact O-OD1 3.3Å; N211-L213 PolarHBondContact O-N 2.86Å; N211-L213 VanDerWaalsContact O-N 3.09Å |
| 212 | C | 78.5 | Confident | 87 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -69.3 | 106.4 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | N171 I208 G209 S210 C214 G215 | N171-C212 VanDerWaalsContact CG-SG 3.59Å; N171-C212 PolarHBondContact ND2-SG 2.66Å; N171-C212 PolarHBondContact OD1-SG 3.19Å; I208-C212 HydrophobicContact CG2-CB 3.5Å; I208-C212 VanDerWaalsContact CG2-CB 3.5Å; G209-C212 WeakPolarHBondContact O-CB 3.4Å; G209-C212 PolarHBondContact O-N 3.25Å; S210-C212 PolarHBondContact O-N 3.4Å; C212-C214 PolarHBondContact O-N 3.47Å; C212-G215 PolarHBondContact O-N 2.92Å; C212-G215 VanDerWaalsContact O-N 3.09Å; C212-G215 VanDerWaalsContact SG-CA 3.52Å |
| 213 | L | 82.5 | Confident | 87.1 | Confident | 140 Ų | 140 | 53.3 Ų | 53.3 | 73% | 0.733 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 123.9 | 170.2 | -63 | 174.9 | 0 | 0 | 0 | 109.3 | N211 G215 | N211-L213 PolarHBondContact O-N 2.86Å; N211-L213 VanDerWaalsContact O-N 3.09Å; L213-G215 PolarHBondContact O-N 2.9Å |
| 214 | C | 84 | Confident | 87 | Confident | 79 Ų | 79 | 56.1 Ų | 56.1 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 26.8 | -179.7 | -52.5 | 0 | 0 | 0 | 0 | 114.7 | C212 D216 Y217 G218 | C212-C214 PolarHBondContact O-N 3.47Å; C214-D216 PolarHBondContact O-N 3.44Å; C214-Y217 PolarHBondContact O-N 3.34Å; C214-G218 PolarHBondContact O-N 2.96Å |
| 215 | G | 87.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L203 C212 L213 G218 A219 | L203-G215 VanDerWaalsContact CD2-C 3.45Å; L203-G215 VanDerWaalsContact CD2-O 3.3Å; L203-G215 WeakPolarHBondContact CD2-O 3.1Å; C212-G215 PolarHBondContact O-N 2.92Å; C212-G215 VanDerWaalsContact O-N 3.09Å; C212-G215 VanDerWaalsContact SG-CA 3.52Å; L213-G215 PolarHBondContact O-N 2.9Å; G215-G218 PolarHBondContact O-N 3.27Å; G215-A219 WeakPolarHBondContact O-CB 3.48Å; G215-A219 PolarHBondContact O-N 2.66Å |
| 216 | D | 89.4 | Confident | 86.8 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176 | 66.8 | -45.3 | 0 | 0 | 0 | 112.1 | W199 L203 C214 A219 R220 | W199-D216 HydrophobicContact CB-CB 3.72Å; L203-D216 HydrophobicContact CD1-CB 4.35Å; C214-D216 PolarHBondContact O-N 3.44Å; D216-A219 PolarHBondContact O-N 2.92Å; D216-R220 WeakPolarHBondContact O-CB 3.3Å; D216-R220 PolarHBondContact O-N 3.49Å |
| 217 | Y | 89.7 | Confident | 87 | Confident | 130 Ų | 130 | 56.3 Ų | 56.3 | 51% | 0.51 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 173.4 | -179.4 | -100 | 0 | 0 | 0 | 111.4 | C214 A219 R220 T221 | C214-Y217 PolarHBondContact O-N 3.34Å; Y217-A219 PolarHBondContact O-N 2.83Å; Y217-R220 WeakPolarHBondContact O-CB 3.46Å; Y217-R220 PolarHBondContact O-N 3.4Å; Y217-T221 PolarHBondContact O-N 2.85Å; Y217-T221 PolarHBondContact O-OG1 2.79Å; Y217-T221 VanDerWaalsContact O-OG1 3.13Å |
| 218 | G | 90.2 | Very high | 87 | Confident | 19 Ų | 19 | 55 Ų | 55 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C214 G215 R220 T221 I222 | C214-G218 PolarHBondContact O-N 2.96Å; G215-G218 PolarHBondContact O-N 3.27Å; G218-R220 VanDerWaalsContact C-N 3.32Å; G218-R220 PolarHBondContact O-N 2.9Å; G218-T221 PolarHBondContact O-N 2.92Å; G218-I222 VanDerWaalsContact O-CG1 3.3Å; G218-I222 WeakPolarHBondContact O-CG1 3.16Å; G218-I222 PolarHBondContact O-N 3.19Å |
| 219 | A | 92 | Very high | 87.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I170 W199 L203 L206 G215 D216 Y217 I222 Y223 | I170-A219 HydrophobicContact CD1-CB 4.41Å; W199-A219 HydrophobicContact CE3-CB 4.05Å; W199-A219 HydrophobicContact CZ3-CB 4.47Å; L203-A219 HydrophobicContact CD2-CB 3.98Å; L206-A219 HydrophobicContact CD1-CB 4.32Å; G215-A219 WeakPolarHBondContact O-CB 3.48Å; G215-A219 PolarHBondContact O-N 2.66Å; D216-A219 PolarHBondContact O-N 2.92Å; Y217-A219 PolarHBondContact O-N 2.83Å; A219-I222 PolarHBondContact O-N 2.91Å; A219-Y223 WeakPolarHBondContact O-CB 3.25Å; A219-Y223 PolarHBondContact O-N 2.91Å |
| 220 | R | 92 | Very high | 87.6 | Confident | 109 Ų | 109 | 56 Ų | 56 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 175.6 | -176.1 | 178.1 | -178.1 | -163.9 | -2 | 111.3 | W190 S194 W199 D216 Y217 G218 I222 Y223 M224 | W190-R220 HydrophobicContact CH2-CB 4.24Å; W190-R220 HydrophobicContact CH2-CG 3.21Å; W190-R220 WeakPolarHBondContact CH2-O 3.39Å; W190-R220 HydrophobicContact CZ2-CG 4.15Å; W190-R220 HydrophobicContact CZ3-CB 4.34Å; W190-R220 HydrophobicContact CZ3-CG 3.67Å; W190-R220 WeakPolarHBondContact CZ3-O 3.49Å; S194-R220 VanDerWaalsContact OG-CZ 3.26Å; S194-R220 PolarHBondContact OG-NE 2.85Å; S194-R220 PolarHBondContact OG-NH2 3.37Å; S194-R220 VanDerWaalsContact OG-NH2 3.12Å; W199-R220 HydrophobicContact CD2-CB 3.97Å; W199-R220 HydrophobicContact CE3-CB 4.41Å; W199-R220 HydrophobicContact CG-CB 4.35Å; W199-R220 HydrophobicContact CZ2-CB 4.28Å; W199-R220 HydrophobicContact CZ2-CG 4.13Å; D216-R220 WeakPolarHBondContact O-CB 3.3Å; D216-R220 PolarHBondContact O-N 3.49Å; Y217-R220 WeakPolarHBondContact O-CB 3.46Å; Y217-R220 PolarHBondContact O-N 3.4Å; G218-R220 VanDerWaalsContact C-N 3.32Å; G218-R220 PolarHBondContact O-N 2.9Å; R220-I222 VanDerWaalsContact C-N 3.33Å; R220-I222 PolarHBondContact O-N 3.13Å; R220-Y223 PolarHBondContact O-N 3.49Å; R220-M224 WeakPolarHBondContact O-CB 3.28Å; R220-M224 PolarHBondContact O-N 2.77Å |
| 221 | T | 90.2 | Very high | 88.3 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 179.5 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | Y217 G218 M224 R225 | Y217-T221 PolarHBondContact O-N 2.85Å; Y217-T221 PolarHBondContact O-OG1 2.79Å; Y217-T221 VanDerWaalsContact O-OG1 3.13Å; G218-T221 PolarHBondContact O-N 2.92Å; T221-M224 PolarHBondContact O-N 3.22Å; T221-R225 VanDerWaalsContact O-CB 3.31Å; T221-R225 WeakPolarHBondContact O-CB 3.4Å; T221-R225 PolarHBondContact O-N 3.35Å |
| 222 | I | 91.4 | Very high | 88.7 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.4 | -71.5 | 167.6 | 0 | 0 | 0 | 110.6 | P168 I170 I175 L177 L180 G218 A219 R220 M224 R225 Y226 | P168-I222 HydrophobicContact CB-CB 4.45Å; P168-I222 HydrophobicContact CB-CD1 3.85Å; P168-I222 HydrophobicContact CB-CG1 3.82Å; P168-I222 HydrophobicContact CB-CG2 3.8Å; P168-I222 HydrophobicContact CG-CG2 3.65Å; I170-I222 HydrophobicContact CD1-CD1 3.6Å; I170-I222 HydrophobicContact CG1-CD1 3.41Å; I170-I222 VanDerWaalsContact CG1-CD1 3.41Å; I175-I222 HydrophobicContact CG1-CD1 3.87Å; L177-I222 HydrophobicContact CD2-CG2 3.83Å; L180-I222 HydrophobicContact CD2-CG2 4.06Å; G218-I222 VanDerWaalsContact O-CG1 3.3Å; G218-I222 WeakPolarHBondContact O-CG1 3.16Å; G218-I222 PolarHBondContact O-N 3.19Å; A219-I222 PolarHBondContact O-N 2.91Å; R220-I222 VanDerWaalsContact C-N 3.33Å; R220-I222 PolarHBondContact O-N 3.13Å; I222-M224 VanDerWaalsContact C-N 3.33Å; I222-M224 PolarHBondContact O-N 2.94Å; I222-R225 PolarHBondContact O-N 3.41Å; I222-Y226 HydrophobicContact CG2-CD2 4.12Å; I222-Y226 WeakPolarHBondContact O-CD2 3.31Å; I222-Y226 PolarHBondContact O-N 2.92Å |
| 223 | Y | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -59.5 | -46.6 | 178.5 | -169.9 | -69.7 | 0 | 0 | 0 | 111 | L180 V184 W190 W199 A219 R220 R225 Y226 L227 A228 E231 | L180-Y223 HydrophobicContact CD1-CD2 4.13Å; L180-Y223 HydrophobicContact CD2-CD2 4.27Å; L180-Y223 HydrophobicContact CG-CD2 3.89Å; V184-Y223 HydrophobicContact CB-CD2 4.14Å; V184-Y223 HydrophobicContact CB-CE2 3.49Å; V184-Y223 VanDerWaalsContact CB-CE2 3.49Å; V184-Y223 HydrophobicContact CG1-CD2 4.19Å; V184-Y223 HydrophobicContact CG1-CE1 4.46Å; V184-Y223 HydrophobicContact CG1-CE2 3.49Å; V184-Y223 VanDerWaalsContact CG1-CE2 3.49Å; V184-Y223 HydrophobicContact CG2-CD2 3.82Å; V184-Y223 HydrophobicContact CG2-CE2 3.72Å; W190-Y223 HydrophobicContact CB-CD1 4.13Å; W190-Y223 HydrophobicContact CB-CE1 3.57Å; W190-Y223 AromaticContact CD2-CD1 3.83Å; W190-Y223 HydrophobicContact CD2-CD1 3.83Å; W190-Y223 HydrophobicContact CD2-CE1 4.2Å; W190-Y223 AromaticContact CE3-CD1 3.14Å; W190-Y223 HydrophobicContact CE3-CD1 3.14Å; W190-Y223 AromaticContact CE3-CE1 3.84Å; W190-Y223 HydrophobicContact CE3-CE1 3.84Å; W190-Y223 AromaticContact CE3-CG 3.65Å; W190-Y223 HydrophobicContact CE3-CG 3.65Å; W190-Y223 HydrophobicContact CG-CD1 4.26Å; W190-Y223 HydrophobicContact CG-CE1 4.14Å; W190-Y223 AromaticContact CZ3-CD1 3.78Å; W190-Y223 HydrophobicContact CZ3-CD1 3.78Å; W190-Y223 AromaticContact CZ3-CG 3.98Å; W190-Y223 HydrophobicContact CZ3-CG 3.98Å; W199-Y223 HydrophobicContact CH2-CD2 4.24Å; W199-Y223 AromaticContact CH2-CG 3.99Å; W199-Y223 HydrophobicContact CH2-CG 3.99Å; A219-Y223 WeakPolarHBondContact O-CB 3.25Å; A219-Y223 PolarHBondContact O-N 2.91Å; R220-Y223 PolarHBondContact O-N 3.49Å; Y223-R225 VanDerWaalsContact C-N 3.32Å; Y223-R225 PolarHBondContact O-N 2.81Å; Y223-Y226 PolarHBondContact O-N 3.11Å; Y223-L227 HydrophobicContact CD1-CB 4.01Å; Y223-L227 HydrophobicContact CD2-CB 4.09Å; Y223-L227 HydrophobicContact CD2-CD1 3.67Å; Y223-L227 HydrophobicContact CE1-CB 3.95Å; Y223-L227 HydrophobicContact CE2-CB 4.04Å; Y223-L227 HydrophobicContact CE2-CD1 3.86Å; Y223-L227 HydrophobicContact CG-CB 4.08Å; Y223-L227 HydrophobicContact CG-CD1 4.27Å; Y223-L227 CarbonylContact O-C 3.55Å; Y223-L227 WeakPolarHBondContact O-CA 3.34Å; Y223-L227 WeakPolarHBondContact O-CB 3.48Å; Y223-L227 PolarHBondContact O-N 2.89Å; Y223-A228 HydrophobicContact CD1-CB 4.36Å; Y223-A228 HydrophobicContact CE1-CB 4.38Å; Y223-A228 PolarHBondContact O-N 3.42Å; Y223-E231 VanDerWaalsContact CE1-OE2 3.3Å; Y223-E231 WeakPolarHBondContact CE1-OE2 3.36Å; Y223-E231 PolarHBondContact OH-OE2 3.03Å |
| 224 | M | 89.5 | Confident | 89.3 | Confident | 66 Ų | 66 | 47.4 Ų | 47.4 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -57.3 | -46.6 | 177.7 | -169.8 | 176.9 | 69.2 | 0 | 0 | 111.9 | W190 R220 T221 I222 | W190-M224 HydrophobicContact CH2-CB 3.6Å; W190-M224 HydrophobicContact CH2-CG 4.32Å; W190-M224 HydrophobicContact CZ2-CB 3.88Å; W190-M224 HydrophobicContact CZ2-CG 4.1Å; W190-M224 HydrophobicContact CZ2-SD 4.33Å; W190-M224 HydrophobicContact CZ3-CB 4.31Å; R220-M224 WeakPolarHBondContact O-CB 3.28Å; R220-M224 PolarHBondContact O-N 2.77Å; T221-M224 PolarHBondContact O-N 3.22Å; I222-M224 VanDerWaalsContact C-N 3.33Å; I222-M224 PolarHBondContact O-N 2.94Å |
| 225 | R | 87.4 | Confident | 89.2 | Confident | 161 Ų | 161 | 49.5 Ų | 49.5 | 61% | 0.608 | 23% | 0.227 | S | C | * | . | I | π-helix | trans | -68.5 | -44.8 | -176.2 | -173.8 | 172.5 | -176.3 | -179.5 | 1.8 | 111.6 | R160 T221 I222 Y223 | R160-R225 VanDerWaalsContact CZ-O 3.31Å; R160-R225 PolarHBondContact NH1-O 2.96Å; R160-R225 PolarHBondContact NH2-O 3.4Å; T221-R225 VanDerWaalsContact O-CB 3.31Å; T221-R225 WeakPolarHBondContact O-CB 3.4Å; T221-R225 PolarHBondContact O-N 3.35Å; I222-R225 PolarHBondContact O-N 3.41Å; Y223-R225 VanDerWaalsContact C-N 3.32Å; Y223-R225 PolarHBondContact O-N 2.81Å |
| 226 | Y | 89.5 | Confident | 88.7 | Confident | 16 Ų | 16 | 57 Ų | 57 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -101.3 | -37.3 | -169.6 | -67.6 | -92.1 | 0 | 0 | 0 | 114.1 | L157 V166 P168 L177 I222 Y223 | L157-Y226 HydrophobicContact CD1-CD1 3.77Å; L157-Y226 HydrophobicContact CD1-CE1 4.47Å; L157-Y226 HydrophobicContact CD2-CD1 4.01Å; V166-Y226 VanDerWaalsContact O-CE1 3.3Å; V166-Y226 WeakPolarHBondContact O-CE1 3.45Å; V166-Y226 VanDerWaalsContact O-CZ 3.31Å; V166-Y226 PolarHBondContact O-OH 3.37Å; P168-Y226 HydrophobicContact CB-CD2 4.35Å; P168-Y226 HydrophobicContact CB-CE2 3.81Å; P168-Y226 HydrophobicContact CG-CD2 4.1Å; P168-Y226 HydrophobicContact CG-CE2 3.94Å; L177-Y226 HydrophobicContact CD1-CD1 4.42Å; L177-Y226 HydrophobicContact CD1-CG 4.46Å; I222-Y226 HydrophobicContact CG2-CD2 4.12Å; I222-Y226 WeakPolarHBondContact O-CD2 3.31Å; I222-Y226 PolarHBondContact O-N 2.92Å; Y223-Y226 PolarHBondContact O-N 3.11Å |
| 227 | L | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -110.8 | -30.1 | -164.6 | -65.1 | 172.3 | 0 | 0 | 0 | 114.2 | F149 L153 L177 L180 Y181 Y223 R229 Y230 E231 | F149-L227 HydrophobicContact CZ-CD2 3.86Å; L153-L227 HydrophobicContact CD1-CD2 4.06Å; L153-L227 HydrophobicContact CD2-CD2 3.8Å; L177-L227 HydrophobicContact CB-CD2 4.48Å; L177-L227 HydrophobicContact CD2-CD1 4.26Å; L177-L227 HydrophobicContact CD2-CG 4.49Å; L180-L227 HydrophobicContact CB-CD1 4.32Å; L180-L227 HydrophobicContact CD2-CD1 3.93Å; L180-L227 HydrophobicContact CG-CD1 3.91Å; Y181-L227 HydrophobicContact CD2-CD2 4.45Å; Y223-L227 HydrophobicContact CD1-CB 4.01Å; Y223-L227 HydrophobicContact CD2-CB 4.09Å; Y223-L227 HydrophobicContact CD2-CD1 3.67Å; Y223-L227 HydrophobicContact CE1-CB 3.95Å; Y223-L227 HydrophobicContact CE2-CB 4.04Å; Y223-L227 HydrophobicContact CE2-CD1 3.86Å; Y223-L227 HydrophobicContact CG-CB 4.08Å; Y223-L227 HydrophobicContact CG-CD1 4.27Å; Y223-L227 CarbonylContact O-C 3.55Å; Y223-L227 WeakPolarHBondContact O-CA 3.34Å; Y223-L227 WeakPolarHBondContact O-CB 3.48Å; Y223-L227 PolarHBondContact O-N 2.89Å; L227-R229 VanDerWaalsContact C-N 3.31Å; L227-R229 PolarHBondContact O-N 3.23Å; L227-Y230 CarbonylContact O-C 3.46Å; L227-Y230 WeakPolarHBondContact O-CA 3.46Å; L227-Y230 WeakPolarHBondContact O-CB 2.92Å; L227-Y230 PolarHBondContact O-N 3.09Å; L227-E231 PolarHBondContact O-N 3.38Å |
| 228 | A | 88 | Confident | 85.8 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.9 | -39.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y223 Q232 | Y223-A228 HydrophobicContact CD1-CB 4.36Å; Y223-A228 HydrophobicContact CE1-CB 4.38Å; Y223-A228 PolarHBondContact O-N 3.42Å; A228-Q232 WeakPolarHBondContact O-CG 3.46Å; A228-Q232 PolarHBondContact O-N 2.68Å |
| 229 | R | 87.1 | Confident | 84 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.5 | -33.8 | 174.7 | -68.4 | -62.1 | -171.1 | -178 | 2 | 113 | F156 L227 Q232 K233 N262 F265 | F156-R229 HydrophobicContact CE1-CB 4.12Å; F156-R229 HydrophobicContact CZ-CB 3.59Å; L227-R229 VanDerWaalsContact C-N 3.31Å; L227-R229 PolarHBondContact O-N 3.23Å; R229-Q232 VanDerWaalsContact CD-OE1 3.29Å; R229-Q232 PolarHBondContact O-N 3.08Å; R229-K233 PolarHBondContact O-N 3Å; R229-N262 PolarHBondContact NH1-OD1 3.32Å; R229-N262 PolarHBondContact NH2-ND2 3.15Å; R229-N262 VanDerWaalsContact NH2-ND2 3.17Å; R229-N262 PolarHBondContact NH2-OD1 3.32Å; R229-F265 HydrophobicContact CG-CE2 4.14Å; R229-F265 HydrophobicContact CG-CZ 3.93Å; R229-F265 VanDerWaalsContact CZ-CE2 3.47Å; R229-F265 VanDerWaalsContact NH2-CE2 3.3Å |
| 230 | Y | 91 | Very high | 81.9 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 174.6 | 178.2 | -93.7 | 0 | 0 | 0 | 110.7 | F149 Q152 L153 F156 Y181 L227 Q232 K233 Q234 | F149-Y230 AromaticContact CD2-CE1 3.98Å; F149-Y230 HydrophobicContact CD2-CE1 3.98Å; F149-Y230 HydrophobicContact CE2-CD1 4.17Å; F149-Y230 AromaticContact CE2-CE1 3.45Å; F149-Y230 HydrophobicContact CE2-CE1 3.45Å; F149-Y230 VanDerWaalsContact CE2-CE1 3.45Å; F149-Y230 HydrophobicContact CZ-CE1 4.3Å; Q152-Y230 HydrophobicContact CB-CE2 4.23Å; Q152-Y230 PolarHBondContact OE1-OH 3.49Å; Q152-Y230 VanDerWaalsContact OE1-OH 3.09Å; L153-Y230 HydrophobicContact CD1-CD1 4.46Å; L153-Y230 HydrophobicContact CD1-CD2 3.95Å; L153-Y230 HydrophobicContact CD1-CG 3.88Å; F156-Y230 HydrophobicContact CB-CD2 4.17Å; F156-Y230 HydrophobicContact CD1-CD2 4.18Å; F156-Y230 HydrophobicContact CG-CD2 4.08Å; Y181-Y230 HydrophobicContact CE2-CD1 4.24Å; Y181-Y230 HydrophobicContact CE2-CE1 4.43Å; L227-Y230 CarbonylContact O-C 3.46Å; L227-Y230 WeakPolarHBondContact O-CA 3.46Å; L227-Y230 WeakPolarHBondContact O-CB 2.92Å; L227-Y230 PolarHBondContact O-N 3.09Å; Y230-Q232 VanDerWaalsContact C-N 3.34Å; Y230-Q232 PolarHBondContact O-N 3.07Å; Y230-K233 WeakPolarHBondContact O-CB 3.29Å; Y230-K233 PolarHBondContact O-N 3.49Å; Y230-K233 VanDerWaalsContact O-N 3.15Å; Y230-Q234 HydrophobicContact CD1-CG 4.08Å; Y230-Q234 HydrophobicContact CE1-CG 3.67Å; Y230-Q234 HydrophobicContact CE2-CG 4.43Å; Y230-Q234 VanDerWaalsContact CZ-NE2 3.29Å; Y230-Q234 WeakPolarHBondContact O-CG 3.49Å; Y230-Q234 PolarHBondContact O-N 2.78Å; Y230-Q234 PolarHBondContact OH-NE2 3.09Å |
| 231 | E | 91.2 | Very high | 80 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 174.2 | -178.1 | -177.5 | -167.2 | 0 | 0 | 111.7 | Y181 G189 W190 Y223 L227 Q234 L235 | Y181-E231 HydrophobicContact CE2-CB 4.13Å; Y181-E231 HydrophobicContact CE2-CG 4.39Å; G189-E231 WeakPolarHBondContact CA-OE1 3.35Å; W190-E231 WeakPolarHBondContact CB-OE2 3.33Å; W190-E231 PolarHBondContact N-OE1 3Å; Y223-E231 VanDerWaalsContact CE1-OE2 3.3Å; Y223-E231 WeakPolarHBondContact CE1-OE2 3.36Å; Y223-E231 PolarHBondContact OH-OE2 3.03Å; L227-E231 PolarHBondContact O-N 3.38Å; E231-Q234 PolarHBondContact O-N 3.23Å; E231-L235 HydrophobicContact CG-CD1 3.89Å; E231-L235 WeakPolarHBondContact O-CB 3.22Å; E231-L235 WeakPolarHBondContact O-CG 3.17Å; E231-L235 PolarHBondContact O-N 3.23Å |
| 232 | Q | 86.8 | Confident | 78.2 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 29% | 0.285 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 175.3 | -71.8 | 176.1 | -10.7 | 0 | 0 | 112 | A228 R229 Y230 Q234 L235 F236 | A228-Q232 WeakPolarHBondContact O-CG 3.46Å; A228-Q232 PolarHBondContact O-N 2.68Å; R229-Q232 VanDerWaalsContact CD-OE1 3.29Å; R229-Q232 PolarHBondContact O-N 3.08Å; Y230-Q232 VanDerWaalsContact C-N 3.34Å; Y230-Q232 PolarHBondContact O-N 3.07Å; Q232-Q234 VanDerWaalsContact C-N 3.27Å; Q232-Q234 PolarHBondContact O-N 3.41Å; Q232-L235 PolarHBondContact O-N 3.05Å; Q232-F236 HydrophobicContact CB-CD2 4.11Å; Q232-F236 HydrophobicContact CB-CE2 4.34Å; Q232-F236 HydrophobicContact CG-CE2 4.26Å; Q232-F236 WeakPolarHBondContact O-CD2 3.33Å; Q232-F236 PolarHBondContact O-N 3.02Å |
| 233 | K | 86.6 | Confident | 76.3 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 176.4 | -175.2 | 166.1 | -173.8 | 156.4 | 0 | 111.6 | F156 R229 Y230 G237 D241 | F156-K233 HydrophobicContact CD2-CD 4.09Å; F156-K233 HydrophobicContact CE2-CD 4.21Å; R229-K233 PolarHBondContact O-N 3Å; Y230-K233 WeakPolarHBondContact O-CB 3.29Å; Y230-K233 PolarHBondContact O-N 3.49Å; Y230-K233 VanDerWaalsContact O-N 3.15Å; K233-G237 PolarHBondContact O-N 3.18Å; K233-D241 VanDerWaalsContact NZ-CG 3.33Å; K233-D241 IonicContact NZ-OD1 2.75Å; K233-D241 PolarHBondContact NZ-OD1 2.88Å; K233-D241 IonicContact NZ-OD2 3.04Å; K233-D241 PolarHBondContact NZ-OD2 3Å |
| 234 | Q | 85.1 | Confident | 74.3 | Confident | 90 Ų | 90 | 82 Ų | 82 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 177.5 | -65.2 | -62.6 | -31.6 | 0 | 0 | 113 | Y230 E231 Q232 | Y230-Q234 HydrophobicContact CD1-CG 4.08Å; Y230-Q234 HydrophobicContact CE1-CG 3.67Å; Y230-Q234 HydrophobicContact CE2-CG 4.43Å; Y230-Q234 VanDerWaalsContact CZ-NE2 3.29Å; Y230-Q234 WeakPolarHBondContact O-CG 3.49Å; Y230-Q234 PolarHBondContact O-N 2.78Å; Y230-Q234 PolarHBondContact OH-NE2 3.09Å; E231-Q234 PolarHBondContact O-N 3.23Å; Q232-Q234 VanDerWaalsContact C-N 3.27Å; Q232-Q234 PolarHBondContact O-N 3.41Å |
| 235 | L | 82.1 | Confident | 72.3 | Confident | 122 Ų | 122 | 88.4 Ų | 88.4 | 64% | 0.639 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77.7 | -43.4 | -178.7 | -73.7 | 168.6 | 0 | 0 | 0 | 113.4 | E231 Q232 | E231-L235 HydrophobicContact CG-CD1 3.89Å; E231-L235 WeakPolarHBondContact O-CB 3.22Å; E231-L235 WeakPolarHBondContact O-CG 3.17Å; E231-L235 PolarHBondContact O-N 3.23Å; Q232-L235 PolarHBondContact O-N 3.05Å |
| 236 | F | 77.4 | Confident | 70.1 | Confident | 158 Ų | 158 | 89.8 Ų | 89.8 | 69% | 0.693 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -91.9 | -7.4 | -172.5 | -64 | -67.9 | 0 | 0 | 0 | 113.3 | Q232 S238 | Q232-F236 HydrophobicContact CB-CD2 4.11Å; Q232-F236 HydrophobicContact CB-CE2 4.34Å; Q232-F236 HydrophobicContact CG-CE2 4.26Å; Q232-F236 WeakPolarHBondContact O-CD2 3.33Å; Q232-F236 PolarHBondContact O-N 3.02Å; F236-S238 PolarHBondContact O-N 2.81Å |
| 237 | G | 68 | Low | 67.8 | Low | 63 Ų | 63 | 94 Ų | 94 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | trans | 58.2 | 7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K233 | K233-G237 PolarHBondContact O-N 3.18Š| ||
| 238 | S | 50.9 | Low | 65.6 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 54% | 0.538 | 54% | 0.538 | S | S | . | . | trans | -103.2 | 114.6 | -169.6 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | F236 S240 | F236-S238 PolarHBondContact O-N 2.81Å; S238-S240 PolarHBondContact O-N 3.32Å; S238-S240 VanDerWaalsContact O-N 3.13Å | ||
| 239 | E | 51.9 | Low | 63.2 | Low | 165 Ų | 165 | 102.4 Ų | 102.4 | 77% | 0.771 | 57% | 0.566 | S | S | * | * | trans | -71 | 29.6 | 176.5 | 62.7 | -166.9 | 102.3 | 0 | 0 | 114.9 | D241 | E239-D241 PolarHBondContact O-N 2.96Š| ||
| 240 | S | 47.1 | Very low | 61.1 | Low | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 60% | 0.6 | S | S | . | * | trans | -72.7 | 72 | 170.1 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | S238 D242 | S238-S240 PolarHBondContact O-N 3.32Å; S238-S240 VanDerWaalsContact O-N 3.13Å; S240-D242 PolarHBondContact O-N 2.72Å; S240-D242 VanDerWaalsContact O-N 3.14Å | ||
| 241 | D | 53.3 | Low | 58.3 | Low | 97 Ų | 97 | 110.5 Ų | 110.5 | 52% | 0.519 | 64% | 0.64 | S | S | . | * | trans | -75.6 | 33.5 | 170.3 | -79.3 | -34 | 0 | 0 | 0 | 110.3 | K233 E239 | K233-D241 VanDerWaalsContact NZ-CG 3.33Å; K233-D241 IonicContact NZ-OD1 2.75Å; K233-D241 PolarHBondContact NZ-OD1 2.88Å; K233-D241 IonicContact NZ-OD2 3.04Å; K233-D241 PolarHBondContact NZ-OD2 3Å; E239-D241 PolarHBondContact O-N 2.96Å | ||
| 242 | D | 52.7 | Low | 55.9 | Low | 140 Ų | 140 | 113.4 Ų | 113.4 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | -120.2 | 5.1 | -166.2 | -72.3 | -48.2 | 0 | 0 | 0 | 117.2 | S240 | S240-D242 PolarHBondContact O-N 2.72Å; S240-D242 VanDerWaalsContact O-N 3.14Å | ||
| 243 | D | 51.4 | Low | 53.5 | Low | 146 Ų | 146 | 116.8 Ų | 116.8 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | trans | -114.4 | 35.2 | -175.5 | -65.5 | -50.3 | 0 | 0 | 0 | 115.7 | E245 | D243-E245 PolarHBondContact O-N 3.48Š| ||
| 244 | D | 51.3 | Low | 51.5 | Low | 132 Ų | 132 | 125.3 Ų | 125.3 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -95 | 60.9 | 164.1 | -73.5 | -56.1 | 0 | 0 | 0 | 110.8 | F246 | D244-F246 PolarHBondContact O-N 2.91Š| ||
| 245 | E | 46.4 | Very low | 49.7 | Very low | 199 Ų | 199 | 126.2 Ų | 126.2 | 93% | 0.93 | 75% | 0.746 | S | S | * | * | trans | -73.3 | 69 | 164.6 | -168.5 | 174.7 | 91 | 0 | 0 | 109.7 | D243 | D243-E245 PolarHBondContact O-N 3.48Š| ||
| 246 | F | 42.6 | Very low | 47.9 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | trans | -141.6 | 59.5 | 165.2 | -164.9 | -102.9 | 0 | 0 | 0 | 109.3 | D244 | D244-F246 PolarHBondContact O-N 2.91Š| ||
| 247 | S | 41.7 | Very low | 46.4 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -157.5 | 129.4 | 161.5 | -89.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 248 | S | 45.5 | Very low | 45.4 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 80.7 | 99.1 | -173.6 | -45.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 249 | G | 36.8 | Very low | 45.2 | Very low | 65 Ų | 65 | 139.3 Ų | 139.3 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | 62.4 | 109.1 | 63.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 250 | T | 43.1 | Very low | 45 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | 97.2 | 97.7 | 171.4 | -19.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 251 | G | 33.4 | Very low | 45.2 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | 43.2 | 105.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 252 | G | 39.6 | Very low | 44.9 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -164.4 | 87.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 253 | V | 37.5 | Very low | 45 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -62.4 | 141.6 | 169.3 | -101.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 254 | R | 44.6 | Very low | 45 | Very low | 239 Ų | 239 | 138.4 Ų | 138.4 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 106.2 | 106.4 | 156.1 | -58.1 | 146.6 | 176.1 | -126.3 | -3.9 | 117.1 | ||||
| 255 | S | 45.7 | Very low | 44.8 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | 172.8 | 118.7 | 108.1 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | R257 | S255-R257 PolarHBondContact O-N 3.34Š| |||
| 256 | S | 45.1 | Very low | 44.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -88 | 50.1 | -170.7 | -43.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 257 | R | 46.6 | Very low | 44.9 | Very low | 240 Ų | 240 | 126.6 Ų | 126.6 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | trans | -155.2 | 84.8 | -178.7 | -95.6 | 159.2 | -164.7 | 170.4 | 3.2 | 111.3 | S255 | S255-R257 PolarHBondContact O-N 3.34Š| ||
| 258 | G | 45.3 | Very low | 45 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -162.9 | 95.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S260 | G258-S260 VanDerWaalsContact C-N 3.32Å; G258-S260 PolarHBondContact O-N 3.16Å | ||
| 259 | R | 46.9 | Very low | 44.8 | Very low | 260 Ų | 260 | 132.8 Ų | 132.8 | 98% | 0.981 | 75% | 0.752 | S | S | * | * | trans | -63.8 | 92.3 | 171.8 | -81.1 | 175.3 | 166.4 | 173.4 | -4.9 | 108.3 | S261 | R259-S261 PolarHBondContact O-N 2.88Š| ||
| 260 | S | 47.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -78.8 | 113.3 | -175.4 | -164.3 | 0 | 0 | 0 | 0 | 111.2 | G258 N262 | G258-S260 VanDerWaalsContact C-N 3.32Å; G258-S260 PolarHBondContact O-N 3.16Å; S260-N262 PolarHBondContact O-N 3.28Å | ||
| 261 | S | 52.1 | Low | 44.9 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -71 | 37.6 | -173.7 | 179.9 | 0 | 0 | 0 | 0 | 114.7 | R259 | R259-S261 PolarHBondContact O-N 2.88Š| ||
| 262 | N | 46.3 | Very low | 45.2 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 37% | 0.374 | 75% | 0.747 | S | S | . | * | trans | -128.4 | 54.5 | -174.9 | -92.6 | -21.7 | 0 | 0 | 0 | 113 | R229 S260 Y264 | R229-N262 PolarHBondContact NH1-OD1 3.32Å; R229-N262 PolarHBondContact NH2-ND2 3.15Å; R229-N262 VanDerWaalsContact NH2-ND2 3.17Å; R229-N262 PolarHBondContact NH2-OD1 3.32Å; S260-N262 PolarHBondContact O-N 3.28Å; N262-Y264 PolarHBondContact O-N 3.34Å; N262-Y264 VanDerWaalsContact O-N 3.12Å | ||
| 263 | H | 55.1 | Low | 45.3 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -6.9 | 173 | -148 | -64.3 | 0 | 0 | 0 | 113.5 | ||
| 264 | Y | 51.2 | Low | 45.2 | Very low | 148 Ų | 148 | 139 Ų | 139 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -16.4 | -178.2 | -56.4 | -81 | 0 | 0 | 0 | 114.3 | N262 | N262-Y264 PolarHBondContact O-N 3.34Å; N262-Y264 VanDerWaalsContact O-N 3.12Å |
| 265 | F | 46.8 | Very low | 45.2 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 47% | 0.474 | 74% | 0.739 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.6 | -12.6 | -176.4 | -85.7 | -96.4 | 0 | 0 | 0 | 114.5 | R229 | R229-F265 HydrophobicContact CG-CE2 4.14Å; R229-F265 HydrophobicContact CG-CZ 3.93Å; R229-F265 VanDerWaalsContact CZ-CE2 3.47Å; R229-F265 VanDerWaalsContact NH2-CE2 3.3Å |
| 266 | S | 42.9 | Very low | 44.6 | Very low | 78 Ų | 78 | 136 Ų | 136 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | G | 310 helix | trans | -87.9 | -5 | -176.5 | -69.5 | 0 | 0 | 0 | 0 | 115.1 | N268 R269 | S266-N268 PolarHBondContact O-N 3.36Å; S266-N268 VanDerWaalsContact O-N 3.09Å; S266-R269 PolarHBondContact O-N 3.14Å |
| 267 | A | 48 | Very low | 44.1 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -72.5 | -0.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 268 | N | 44 | Very low | 43.7 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -114 | 10.8 | 178.5 | -75.7 | 39.8 | 0 | 0 | 0 | 114.2 | S266 L270 | S266-N268 PolarHBondContact O-N 3.36Å; S266-N268 VanDerWaalsContact O-N 3.09Å; N268-L270 PolarHBondContact O-N 3.07Å |
| 269 | R | 42.2 | Very low | 43.6 | Very low | 221 Ų | 221 | 132.9 Ų | 132.9 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | -85 | 98.5 | 167.9 | -78.7 | -172.7 | -160 | -118.7 | 1.8 | 109.6 | S266 | S266-R269 PolarHBondContact O-N 3.14Š| ||
| 270 | L | 39.1 | Very low | 43.7 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | -51.2 | 133.2 | 161.8 | -82.6 | 156.3 | 0 | 0 | 0 | 109.4 | N268 D272 | N268-L270 PolarHBondContact O-N 3.07Å; L270-D272 PolarHBondContact O-N 3.39Å | ||
| 271 | P | 43.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | trans | -66.8 | 122.5 | 172.3 | 26.1 | -30.4 | 0 | 0 | 0 | 109.3 | V273 | P271-V273 PolarHBondContact O-N 3.27Å; P271-V273 VanDerWaalsContact O-N 3.14Å | ||
| 272 | D | 39.9 | Very low | 42.4 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | -67.1 | 107.1 | 173 | -172 | 92.8 | 0 | 0 | 0 | 109.1 | L270 S274 | L270-D272 PolarHBondContact O-N 3.39Å; D272-S274 VanDerWaalsContact C-N 3.34Å; D272-S274 PolarHBondContact O-N 3.31Å; D272-S274 PolarHBondContact OD2-N 2.86Å | ||
| 273 | V | 40.7 | Very low | 41.8 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -92.8 | 63.4 | 176.4 | 67.9 | 0 | 0 | 0 | 0 | 109.3 | P271 | P271-V273 PolarHBondContact O-N 3.27Å; P271-V273 VanDerWaalsContact O-N 3.14Å | ||
| 274 | S | 35.7 | Very low | 40.7 | Very low | 84 Ų | 84 | 137 Ų | 137 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | trans | -156.9 | 76.5 | 178.3 | -77.5 | 0 | 0 | 0 | 0 | 113 | D272 | D272-S274 VanDerWaalsContact C-N 3.34Å; D272-S274 PolarHBondContact O-N 3.31Å; D272-S274 PolarHBondContact OD2-N 2.86Å | ||
| 275 | K | 44.4 | Very low | 40.1 | Very low | 213 Ų | 213 | 136 Ų | 136 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | -176.6 | 124.6 | 146 | -103.4 | 151.1 | -174.5 | 175 | 0 | 113.9 | ||||
| 276 | G | 33.5 | Very low | 39.6 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 63.6 | 96.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 277 | S | 34.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 45.5 | 122.3 | 64.3 | -161.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 278 | S | 38.3 | Very low | 39.1 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 61.9 | 91.1 | 168.3 | 58.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 279 | D | 43.3 | Very low | 39.2 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -158.5 | 107.4 | 132.8 | -94.7 | -32.2 | 0 | 0 | 0 | 111.9 | ||||
| 280 | I | 48.9 | Very low | 39.4 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 59.1 | 92.9 | 139.8 | 61.5 | 159.4 | 0 | 0 | 0 | 121.4 | ||||
| 281 | N | 34.4 | Very low | 39.7 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -7.7 | 119.2 | 127.1 | -167.9 | 10.4 | 0 | 0 | 0 | 116.2 | |||||
| 282 | A | 38 | Very low | 39.7 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | 175.8 | 109.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 283 | R | 34.4 | Very low | 39.7 | Very low | 225 Ų | 225 | 136 Ų | 136 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | 58.1 | 114.4 | 127.4 | -70.1 | 161.1 | 72.5 | 150.9 | -0 | 119.5 | |||||
| 284 | E | 32.2 | Very low | 39.9 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | 3.3 | 119.1 | 129.4 | -61.6 | -174.4 | 120.9 | 0 | 0 | 115.8 | |||||
| 285 | S | 38 | Very low | 40.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | 167.8 | 132.3 | 126.8 | 36.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 286 | G | 36.9 | Very low | 40.5 | Very low | 51 Ų | 51 | 138.4 Ų | 138.4 | 53% | 0.526 | 79% | 0.791 | S | S | . | * | trans | 128.7 | 106.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 287 | W | 38.7 | Very low | 40.8 | Very low | 258 Ų | 258 | 142.1 Ų | 142.1 | 98% | 0.977 | 79% | 0.793 | S | S | * | * | trans | 74.1 | 108.9 | 138.2 | -39.4 | 102.3 | 0 | 0 | 0 | 116 | ||||
| 288 | G | 41.1 | Very low | 41.7 | Very low | 66 Ų | 66 | 143.6 Ų | 143.6 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | cis | 90.8 | 91.8 | 32.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 289 | T | 45.4 | Very low | 41.7 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | 61.9 | 129.5 | 140.9 | -47.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 290 | L | 46.3 | Very low | 41.9 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 154.4 | 129.4 | 138.3 | -82.9 | 160.2 | 0 | 0 | 0 | 106.7 | ||||
| 291 | L | 45.6 | Very low | 41.6 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | cis | -162.3 | 150.5 | 29.7 | -102.7 | 146.4 | 0 | 0 | 0 | 111 | ||||
| 292 | L | 44.8 | Very low | 42.2 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -54.7 | 155.8 | 170.9 | -84.5 | 77.2 | 0 | 0 | 0 | 114.3 | ||||
| 293 | G | 38.4 | Very low | 42.4 | Very low | 65 Ų | 65 | 155.1 Ų | 155.1 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | trans | 152.2 | 96.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 294 | Q | 46.1 | Very low | 42.8 | Very low | 200 Ų | 200 | 151.4 Ų | 151.4 | 94% | 0.935 | 83% | 0.833 | S | S | * | * | trans | 79.9 | 121.6 | 143.6 | -77.1 | 144.8 | 20.4 | 0 | 0 | 122.1 | ||||
| 295 | H | 42.8 | Very low | 43.4 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | trans | -86.4 | 157.7 | 166.2 | -129.8 | -96.9 | 0 | 0 | 0 | 110.3 | L297 | H295-L297 PolarHBondContact ND1-N 3.35Š| ||
| 296 | P | 48.5 | Very low | 43.7 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | -144.7 | 131.5 | 101.8 | 32.6 | -14.9 | 0 | 0 | 0 | 113.3 | |||||
| 297 | L | 41.7 | Very low | 44.1 | Very low | 151 Ų | 151 | 157.2 Ų | 157.2 | 79% | 0.791 | 85% | 0.847 | S | S | * | * | 40.2 | 106.3 | 109.3 | -86.2 | 173 | 0 | 0 | 0 | 115.6 | H295 | H295-L297 PolarHBondContact ND1-N 3.35Š| |||
| 298 | V | 51.9 | Low | 44.5 | Very low | 146 Ų | 146 | 150.5 Ų | 150.5 | 89% | 0.885 | 84% | 0.838 | S | S | * | * | trans | -127.2 | 117.3 | 154.9 | -73.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 299 | H | 37.6 | Very low | 44.7 | Very low | 176 Ų | 176 | 156.5 Ų | 156.5 | 82% | 0.815 | 85% | 0.85 | S | S | * | * | trans | -91.5 | 140.3 | 169.4 | -157.1 | 78 | 0 | 0 | 0 | 107 | ||||
| 300 | C | 47.9 | Very low | 44.7 | Very low | 134 Ų | 134 | 158.3 Ų | 158.3 | 91% | 0.905 | 85% | 0.852 | S | S | * | * | trans | -133.5 | 121.2 | 167.2 | -144.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 301 | E | 43.3 | Very low | 44.5 | Very low | 163 Ų | 163 | 159.2 Ų | 159.2 | 76% | 0.762 | 86% | 0.859 | S | S | * | * | trans | -84.2 | 142.1 | -170.4 | -173.8 | -172.8 | 108.1 | 0 | 0 | 111.8 | ||||
| 302 | M | 45.8 | Very low | 44.4 | Very low | 260 Ų | 260 | 159.7 Ų | 159.7 | 100% | 1.281 | 86% | 0.864 | S | S | * | * | trans | -160.5 | 0 | 132 | -99.3 | 157.1 | -164.2 | 0 | 0 | 108.8 |
Retrieved 302 of 302 residues in 290.1 ms
(Link to these results)