| 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 | L | 39.9 | Very low | 40.4 | Very low | 218 Ų | 218 | 159.7 Ų | 159.7 | 100% | 1.141 | 85% | 0.852 | S | S | * | * | 0 | 111.3 | 0 | -67.7 | 166.8 | 0 | 0 | 0 | 106.6 | |||||
| 2 | P | 42.5 | Very low | 40 | Very low | 132 Ų | 132 | 160.8 Ų | 160.8 | 86% | 0.857 | 85% | 0.848 | S | S | * | * | trans | -74.6 | 125.5 | 175.7 | 30.6 | -28.8 | 0 | 0 | 0 | 108.2 | S4 | P2-S4 PolarHBondContact O-N 3.28Š| ||
| 3 | V | 41.4 | Very low | 40.2 | Very low | 128 Ų | 128 | 160.5 Ų | 160.5 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | trans | -74 | 114.9 | 172.4 | 178 | 0 | 0 | 0 | 0 | 106.5 | L5 | V3-L5 PolarHBondContact O-N 3.35Š| ||
| 4 | S | 41.2 | Very low | 40.1 | Very low | 93 Ų | 93 | 161.1 Ų | 161.1 | 65% | 0.65 | 84% | 0.844 | S | S | * | * | trans | -65 | 116.9 | 170 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | P2 W6 | P2-S4 PolarHBondContact O-N 3.28Å; S4-W6 VanDerWaalsContact C-N 3.3Å | ||
| 5 | L | 46.3 | Very low | 40.1 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -102.2 | 35.1 | -178.2 | -129.8 | 152.4 | 0 | 0 | 0 | 109.9 | V3 | V3-L5 PolarHBondContact O-N 3.35Š| ||
| 6 | W | 36.8 | Very low | 39.9 | Very low | 219 Ų | 219 | 155.9 Ų | 155.9 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | trans | -104.3 | 119.2 | 178.7 | -64 | 94 | 0 | 0 | 0 | 107.6 | S4 E8 | S4-W6 VanDerWaalsContact C-N 3.3Å; W6-E8 PolarHBondContact O-N 3.21Å | ||
| 7 | C | 41 | Very low | 39.8 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -60.4 | 116.7 | 161 | -72.9 | 0 | 0 | 0 | 0 | 106.8 | E9 | C7-E9 PolarHBondContact O-N 2.89Å; C7-E9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | E | 35.5 | Very low | 39.9 | Very low | 192 Ų | 192 | 155.7 Ų | 155.7 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -63.1 | 109.2 | 167.7 | -86.7 | 177.5 | 150.6 | 0 | 0 | 107.8 | W6 S10 | W6-E8 PolarHBondContact O-N 3.21Å; E8-S10 PolarHBondContact O-N 3.21Å | ||
| 9 | E | 39.7 | Very low | 40 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -70.4 | 106.3 | 161 | -71.9 | 176.9 | 167.6 | 0 | 0 | 106.8 | C7 E11 | C7-E9 PolarHBondContact O-N 2.89Å; C7-E9 VanDerWaalsContact O-N 3.1Å; E9-E11 PolarHBondContact O-N 3.05Å | ||
| 10 | S | 39.3 | Very low | 40.5 | Very low | 105 Ų | 105 | 152 Ų | 152 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -72.2 | 106.5 | 169.1 | 51.8 | 0 | 0 | 0 | 0 | 108.4 | E8 E12 | E8-S10 PolarHBondContact O-N 3.21Å; S10-E12 VanDerWaalsContact C-N 3.26Å; S10-E12 PolarHBondContact O-N 3.1Å | ||
| 11 | E | 40.6 | Very low | 41.3 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -66.8 | 83.6 | 168.8 | -68.7 | -177.1 | 161.5 | 0 | 0 | 109.8 | E9 | E9-E11 PolarHBondContact O-N 3.05Š| ||
| 12 | E | 36 | Very low | 42.2 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -107.9 | 78.4 | 155.8 | -75.3 | -172 | 170 | 0 | 0 | 108 | S10 Q14 | S10-E12 VanDerWaalsContact C-N 3.26Å; S10-E12 PolarHBondContact O-N 3.1Å; E12-Q14 PolarHBondContact O-N 3.35Å | ||
| 13 | D | 42.2 | Very low | 43.3 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 93 | 168.3 | -170.2 | 25.1 | 0 | 0 | 0 | 108.8 | ||||
| 14 | Q | 38.3 | Very low | 44.5 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -123.5 | 111.7 | 158.5 | -68.9 | -171.1 | 31.6 | 0 | 0 | 107.3 | E12 E16 | E12-Q14 PolarHBondContact O-N 3.35Å; Q14-E16 PolarHBondContact O-N 2.66Å | ||
| 15 | G | 41.3 | Very low | 45.7 | Very low | 81 Ų | 81 | 155.6 Ų | 155.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -50.7 | 105.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 16 | E | 37 | Very low | 46.8 | Very low | 158 Ų | 158 | 153.6 Ų | 153.6 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -102.2 | 150.5 | 161.7 | -75.6 | -164.7 | 160.8 | 0 | 0 | 109.5 | Q14 | Q14-E16 PolarHBondContact O-N 2.66Š| ||
| 17 | P | 37.7 | Very low | 48.4 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | trans | -61.3 | 142 | -176.5 | 13.6 | -13.7 | 0 | 0 | 0 | 111.4 | D19 | P17-D19 PolarHBondContact O-N 3.05Š| ||
| 18 | Q | 41.3 | Very low | 49.6 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 26.7 | -172.3 | -72.5 | 179.3 | -41.7 | 0 | 0 | 116.3 | ||
| 19 | D | 41.9 | Very low | 51.2 | Low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 12.4 | 177.5 | -82.6 | -18 | 0 | 0 | 0 | 113 | P17 I21 | P17-D19 PolarHBondContact O-N 3.05Å; D19-I21 PolarHBondContact O-N 2.68Å |
| 20 | S | 50.5 | Low | 52.6 | Low | 80 Ų | 80 | 135.3 Ų | 135.3 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | trans | -77.6 | 106 | 175.4 | 56 | 0 | 0 | 0 | 0 | 110.3 | L22 | S20-L22 PolarHBondContact O-N 3.18Š| ||
| 21 | I | 57.4 | Low | 54.1 | Low | 148 Ų | 148 | 132 Ų | 132 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -48.2 | 114.6 | 168.6 | -62.7 | 168.5 | 0 | 0 | 0 | 107.8 | D19 R23 | D19-I21 PolarHBondContact O-N 2.68Å; I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 2.8Å | ||
| 22 | L | 58 | Low | 55.9 | Low | 152 Ų | 152 | 123.7 Ų | 123.7 | 80% | 0.796 | 66% | 0.664 | S | S | * | * | trans | -68.3 | 84.5 | 179.6 | -70.8 | 170.8 | 0 | 0 | 0 | 109.5 | S20 | S20-L22 PolarHBondContact O-N 3.18Š| ||
| 23 | R | 65.4 | Low | 58.3 | Low | 169 Ų | 169 | 120.3 Ų | 120.3 | 64% | 0.638 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 132.6 | 175.6 | -157.3 | 171.7 | -160.9 | 155 | 11.5 | 109.8 | I21 R25 D80 | I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 2.8Å; R23-R25 PolarHBondContact O-N 3.23Å; R23-D80 IonicContact CZ-OD2 2.75Å; R23-D80 IonicContact NH1-OD2 3.56Å; R23-D80 PolarHBondContact NH1-OD2 3.19Å; R23-D80 VanDerWaalsContact NH2-CG 3.31Å; R23-D80 IonicContact NH2-OD1 2.94Å; R23-D80 PolarHBondContact NH2-OD1 3.1Å; R23-D80 VanDerWaalsContact NH2-OD1 3.17Å; R23-D80 IonicContact NH2-OD2 3.23Å; R23-D80 PolarHBondContact NH2-OD2 3.23Å |
| 24 | A | 66.9 | Low | 60.6 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 25 | R | 66.4 | Low | 63.1 | Low | 236 Ų | 236 | 113.3 Ų | 113.3 | 89% | 0.891 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 142.8 | 175.9 | -171.7 | 175.2 | 179.9 | 176.3 | 1.9 | 109.4 | R23 D27 | R23-R25 PolarHBondContact O-N 3.23Å; R25-D27 PolarHBondContact O-N 3.02Å |
| 26 | W | 69.2 | Low | 65.6 | Low | 121 Ų | 121 | 109.5 Ų | 109.5 | 46% | 0.458 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 124.2 | 174.3 | -176.5 | -97.9 | 0 | 0 | 0 | 110.7 | P28 P168 H169 | W26-P28 WeakPolarHBondContact O-CD 3.21Å; W26-P168 HydrophobicContact CE3-CB 4.28Å; W26-P168 HydrophobicContact CH2-CB 3.42Å; W26-P168 VanDerWaalsContact CH2-CB 3.42Å; W26-P168 HydrophobicContact CH2-CG 3.55Å; W26-P168 HydrophobicContact CZ2-CB 4.11Å; W26-P168 HydrophobicContact CZ3-CB 3.52Å; W26-P168 HydrophobicContact CZ3-CG 3.58Å; W26-H169 AromaticContact CH2-CE1 3.37Å; W26-H169 WeakPolarHBondContact CH2-CE1 3.47Å; W26-H169 AromaticContact CH2-ND1 3.58Å; W26-H169 AromaticContact CZ2-CE1 3.6Å; W26-H169 AromaticContact CZ2-ND1 3.51Å |
| 27 | D | 71.2 | Confident | 68.3 | Low | 77 Ų | 77 | 106.4 Ų | 106.4 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | trans | -92.4 | 109.8 | 177.5 | -174.6 | -15.1 | 0 | 0 | 0 | 109.8 | R25 S29 V30 | R25-D27 PolarHBondContact O-N 3.02Å; D27-S29 PolarHBondContact O-N 3.35Å; D27-S29 WeakPolarHBondContact OD1-CA 3.45Å; D27-S29 WeakPolarHBondContact OD1-CB 3.33Å; D27-S29 PolarHBondContact OD1-N 2.93Å; D27-S29 PolarHBondContact OD1-OG 2.89Å; D27-S29 PolarHBondContact OD2-OG 3.4Å; D27-S29 VanDerWaalsContact OD2-OG 3.05Å; D27-V30 HydrophobicContact CB-CB 4.3Å; D27-V30 HydrophobicContact CB-CG2 4.02Å; D27-V30 PolarHBondContact O-N 3.39Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.48Å | ||
| 28 | P | 66.1 | Low | 70.9 | Confident | 96 Ų | 96 | 109 Ų | 109 | 62% | 0.623 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.7 | 178.9 | -20.3 | 33.7 | 0 | 0 | 0 | 112.7 | W26 V30 S31 | W26-P28 WeakPolarHBondContact O-CD 3.21Å; P28-V30 PolarHBondContact O-N 3.23Å; P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.26Å |
| 29 | S | 69.4 | Low | 73.5 | Confident | 82 Ų | 82 | 100.7 Ų | 100.7 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -71.5 | -17.9 | 178.5 | 80.7 | 0 | 0 | 0 | 0 | 113.4 | D27 | D27-S29 PolarHBondContact O-N 3.35Å; D27-S29 WeakPolarHBondContact OD1-CA 3.45Å; D27-S29 WeakPolarHBondContact OD1-CB 3.33Å; D27-S29 PolarHBondContact OD1-N 2.93Å; D27-S29 PolarHBondContact OD1-OG 2.89Å; D27-S29 PolarHBondContact OD2-OG 3.4Å; D27-S29 VanDerWaalsContact OD2-OG 3.05Å |
| 30 | V | 68.6 | Low | 76.1 | Confident | 84 Ų | 84 | 94.1 Ų | 94.1 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -105.1 | 23.3 | 175.1 | -164 | 0 | 0 | 0 | 0 | 110.7 | D27 P28 V35 H169 | D27-V30 HydrophobicContact CB-CB 4.3Å; D27-V30 HydrophobicContact CB-CG2 4.02Å; D27-V30 PolarHBondContact O-N 3.39Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.48Å; P28-V30 PolarHBondContact O-N 3.23Å; V30-V35 WeakPolarHBondContact O-CG2 3.43Å; V30-H169 PolarHBondContact O-CE1 3.26Å |
| 31 | S | 71.3 | Confident | 78.1 | Confident | 36 Ų | 36 | 97.9 Ų | 97.9 | 25% | 0.252 | 48% | 0.482 | S | S | . | . | trans | -118.9 | 168 | 174.9 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | P28 | P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.26Å | ||
| 32 | G | 77.6 | Confident | 79.9 | Confident | 21 Ų | 21 | 94.1 Ų | 94.1 | 22% | 0.216 | 46% | 0.463 | C | S | . | . | S | Bend | trans | 101.5 | -174 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R34 V35 I36 | G32-R34 VanDerWaalsContact C-N 3.25Å; G32-R34 PolarHBondContact O-N 3.49Å; G32-R34 VanDerWaalsContact O-N 3.1Å; G32-V35 PolarHBondContact O-N 2.89Å; G32-I36 PolarHBondContact O-N 3.18Å |
| 33 | H | 86.1 | Confident | 81.6 | Confident | 100 Ų | 100 | 87.7 Ų | 87.7 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.4 | -35.5 | -167.7 | -167.8 | 74.4 | 0 | 0 | 0 | 114.1 | V35 I36 Q37 | H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 PolarHBondContact O-N 2.95Å; H33-I36 PolarHBondContact O-N 3.01Å; H33-Q37 PolarHBondContact CD2-NE2 3.28Å; H33-Q37 PolarHBondContact NE2-NE2 3.43Å; H33-Q37 WeakPolarHBondContact O-CG 3.42Å; H33-Q37 PolarHBondContact O-N 3.27Å |
| 34 | R | 90.2 | Very high | 82.8 | Confident | 156 Ų | 156 | 82.1 Ų | 82.1 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 177.5 | -176.1 | 178.9 | 67.6 | 179.9 | -1.8 | 112.6 | G32 R38 | G32-R34 VanDerWaalsContact C-N 3.25Å; G32-R34 PolarHBondContact O-N 3.49Å; G32-R34 VanDerWaalsContact O-N 3.1Å; R34-R38 WeakPolarHBondContact O-CG 3.24Å; R34-R38 PolarHBondContact O-N 2.9Å |
| 35 | V | 91.2 | Very high | 83.9 | Confident | 24 Ų | 24 | 85.5 Ų | 85.5 | 15% | 0.145 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -75 | -43.7 | -180 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | V30 G32 H33 Q37 R38 L39 H169 | V30-V35 WeakPolarHBondContact O-CG2 3.43Å; G32-V35 PolarHBondContact O-N 2.89Å; H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 PolarHBondContact O-N 2.95Å; V35-Q37 VanDerWaalsContact C-N 3.32Å; V35-Q37 PolarHBondContact O-N 2.82Å; V35-R38 WeakPolarHBondContact O-CB 3.34Å; V35-R38 PolarHBondContact O-N 3.25Å; V35-L39 HydrophobicContact CG1-CD1 4.26Å; V35-L39 HydrophobicContact CG1-CG 4.35Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 3.15Å; V35-H169 VanDerWaalsContact CG1-NE2 3.34Å; V35-H169 WeakPolarHBondContact CG1-NE2 3.34Å |
| 36 | I | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -53.2 | -49.9 | 172.4 | -63.1 | 172.7 | 0 | 0 | 0 | 110.5 | G32 H33 R38 L39 L40 F166 H169 F170 L241 | G32-I36 PolarHBondContact O-N 3.18Å; H33-I36 PolarHBondContact O-N 3.01Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.21Å; I36-L39 PolarHBondContact O-N 3.43Å; I36-L39 VanDerWaalsContact O-N 3.12Å; I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.3Å; I36-F166 HydrophobicContact CG2-CE1 4.44Å; I36-H169 HydrophobicContact CD1-CB 3.85Å; I36-H169 HydrophobicContact CG1-CB 3.65Å; I36-F170 HydrophobicContact CD1-CD1 4.04Å; I36-F170 HydrophobicContact CD1-CE1 4.09Å; I36-F170 HydrophobicContact CG1-CE1 4.4Å; I36-F170 HydrophobicContact CG2-CE1 4.1Å; I36-L241 HydrophobicContact CD1-CD2 3.83Å; I36-L241 VanDerWaalsContact CG2-O 3.25Å; I36-L241 WeakPolarHBondContact CG2-O 3.29Å |
| 37 | Q | 93.7 | Very high | 85.9 | Confident | 93 Ų | 93 | 72.5 Ų | 72.5 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.8 | -37.2 | 177.3 | -75 | -178.8 | -14.8 | 0 | 0 | 113.5 | H33 V35 H41 | H33-Q37 PolarHBondContact CD2-NE2 3.28Å; H33-Q37 PolarHBondContact NE2-NE2 3.43Å; H33-Q37 WeakPolarHBondContact O-CG 3.42Å; H33-Q37 PolarHBondContact O-N 3.27Å; V35-Q37 VanDerWaalsContact C-N 3.32Å; V35-Q37 PolarHBondContact O-N 2.82Å; Q37-H41 PolarHBondContact O-N 2.92Å; Q37-H41 VanDerWaalsContact O-N 3.09Å |
| 38 | R | 93.9 | Very high | 86.6 | Confident | 164 Ų | 164 | 69.9 Ų | 69.9 | 62% | 0.619 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.4 | -43.3 | 175.5 | -74.5 | 179.9 | 177.3 | -172.1 | -1.2 | 111.7 | R34 V35 I36 L40 H41 L42 | R34-R38 WeakPolarHBondContact O-CG 3.24Å; R34-R38 PolarHBondContact O-N 2.9Å; V35-R38 WeakPolarHBondContact O-CB 3.34Å; V35-R38 PolarHBondContact O-N 3.25Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.21Å; R38-L40 VanDerWaalsContact C-N 3.35Å; R38-H41 PolarHBondContact O-N 3.21Å; R38-L42 WeakPolarHBondContact O-CG 3.4Å; R38-L42 PolarHBondContact O-N 3.44Å |
| 39 | L | 95.4 | Very high | 87.5 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.4 | -66.8 | 175 | 0 | 0 | 0 | 110.8 | V35 I36 H41 L42 E43 V161 D165 F166 | V35-L39 HydrophobicContact CG1-CD1 4.26Å; V35-L39 HydrophobicContact CG1-CG 4.35Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 3.15Å; I36-L39 PolarHBondContact O-N 3.43Å; I36-L39 VanDerWaalsContact O-N 3.12Å; L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 2.78Å; L39-L42 PolarHBondContact O-N 2.9Å; L39-L42 VanDerWaalsContact O-N 3.1Å; L39-E43 WeakPolarHBondContact O-CB 3.46Å; L39-E43 PolarHBondContact O-N 3.1Å; L39-V161 HydrophobicContact CB-CG1 4.42Å; L39-V161 HydrophobicContact CD2-CG1 4.2Å; L39-V161 HydrophobicContact CD2-CG2 4.1Å; L39-D165 HydrophobicContact CD1-CB 4.17Å; L39-D165 HydrophobicContact CD2-CB 4.2Å; L39-F166 HydrophobicContact CB-CD1 4.18Å; L39-F166 HydrophobicContact CB-CE1 3.41Å; L39-F166 VanDerWaalsContact CB-CE1 3.41Å; L39-F166 HydrophobicContact CB-CE2 4.11Å; L39-F166 HydrophobicContact CB-CZ 3.38Å; L39-F166 HydrophobicContact CD1-CD1 4.07Å; L39-F166 HydrophobicContact CD1-CE1 4.15Å; L39-F166 HydrophobicContact CD1-CG 4.37Å; L39-F166 HydrophobicContact CG-CE1 4.44Å |
| 40 | L | 95.7 | Very high | 88 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | 174.5 | -68.1 | 175.4 | 0 | 0 | 0 | 112.7 | I36 R38 L42 E43 F166 S209 Q243 | I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.3Å; R38-L40 VanDerWaalsContact C-N 3.35Å; L40-L42 VanDerWaalsContact C-N 3.31Å; L40-L42 PolarHBondContact O-N 3.06Å; L40-E43 WeakPolarHBondContact CD2-OE1 3.49Å; L40-E43 WeakPolarHBondContact O-CG 3.37Å; L40-F166 HydrophobicContact CD2-CE1 3.84Å; L40-F166 HydrophobicContact CD2-CZ 4.03Å; L40-F166 HydrophobicContact CG-CE1 4.05Å; L40-F166 HydrophobicContact CG-CZ 4.43Å; L40-S209 VanDerWaalsContact CD2-CB 3.41Å; L40-S209 WeakPolarHBondContact CD2-OG 3.49Å; L40-Q243 HydrophobicContact CD1-CB 4.35Å; L40-Q243 HydrophobicContact CD1-CG 3.67Å |
| 41 | H | 93.8 | Very high | 88.6 | Confident | 159 Ų | 159 | 71 Ų | 71 | 74% | 0.736 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.3 | -34.6 | 176 | -174.5 | 65.4 | 0 | 0 | 0 | 112.4 | Q37 R38 L39 | Q37-H41 PolarHBondContact O-N 2.92Å; Q37-H41 VanDerWaalsContact O-N 3.09Å; R38-H41 PolarHBondContact O-N 3.21Å; L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 2.78Å |
| 42 | L | 94.4 | Very high | 89.1 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -81.5 | -32.9 | -178.3 | -72 | 174.1 | 0 | 0 | 0 | 113.1 | R38 L39 L40 G44 R45 Y46 V161 | R38-L42 WeakPolarHBondContact O-CG 3.4Å; R38-L42 PolarHBondContact O-N 3.44Å; L39-L42 PolarHBondContact O-N 2.9Å; L39-L42 VanDerWaalsContact O-N 3.1Å; L40-L42 VanDerWaalsContact C-N 3.31Å; L40-L42 PolarHBondContact O-N 3.06Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 3.05Å; L42-R45 VanDerWaalsContact O-CB 3.25Å; L42-R45 WeakPolarHBondContact O-CB 3.25Å; L42-R45 PolarHBondContact O-N 3.33Å; L42-Y46 HydrophobicContact CB-CE2 4.28Å; L42-Y46 VanDerWaalsContact O-CD2 3.28Å; L42-Y46 WeakPolarHBondContact O-CD2 3.48Å; L42-V161 HydrophobicContact CB-CG2 3.75Å; L42-V161 HydrophobicContact CD1-CG2 4.5Å |
| 43 | E | 94.7 | Very high | 89.3 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -35.7 | -170.9 | 80 | -178.1 | 153.7 | 0 | 0 | 113 | L39 L40 R45 Y46 V161 P207 P208 S209 | L39-E43 WeakPolarHBondContact O-CB 3.46Å; L39-E43 PolarHBondContact O-N 3.1Å; L40-E43 WeakPolarHBondContact CD2-OE1 3.49Å; L40-E43 WeakPolarHBondContact O-CG 3.37Å; E43-R45 PolarHBondContact O-N 2.86Å; E43-Y46 PolarHBondContact O-N 3.48Å; E43-Y46 VanDerWaalsContact O-N 3.1Å; E43-V161 HydrophobicContact CB-CB 4.36Å; E43-V161 HydrophobicContact CB-CG1 4.24Å; E43-P207 HydrophobicContact CG-CB 4.36Å; E43-P208 HydrophobicContact CB-CG 4.26Å; E43-P208 WeakPolarHBondContact OE2-CD 3.49Å; E43-S209 VanDerWaalsContact CD-OG 3.23Å; E43-S209 WeakPolarHBondContact OE1-CB 3.36Å; E43-S209 PolarHBondContact OE1-OG 3.39Å; E43-S209 WeakPolarHBondContact OE2-CB 3.3Å; E43-S209 PolarHBondContact OE2-N 3.09Å; E43-S209 PolarHBondContact OE2-OG 3.24Å |
| 44 | G | 89.5 | Confident | 88.8 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 55% | 0.546 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -62.2 | -25.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L42 Y46 | L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 3.05Å; G44-Y46 VanDerWaalsContact C-N 3.26Å; G44-Y46 PolarHBondContact O-N 2.99Å |
| 45 | R | 90.3 | Very high | 88.3 | Confident | 164 Ų | 164 | 66.3 Ų | 66.3 | 62% | 0.619 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -68 | -27.2 | 177.2 | -179.7 | 178.8 | 170.8 | 150.6 | -2.6 | 112.5 | L42 E43 D157 | L42-R45 VanDerWaalsContact O-CB 3.25Å; L42-R45 WeakPolarHBondContact O-CB 3.25Å; L42-R45 PolarHBondContact O-N 3.33Å; E43-R45 PolarHBondContact O-N 2.86Å; R45-D157 IonicContact CZ-OD2 3.84Å; R45-D157 VanDerWaalsContact CZ-OD2 3.23Å; R45-D157 IonicContact NE-OD2 3.82Å; R45-D157 PolarHBondContact NE-OD2 3.48Å; R45-D157 IonicContact NH2-OD1 3.23Å; R45-D157 IonicContact NH2-OD2 3.87Å; R45-D157 PolarHBondContact NH2-OD2 3.12Å |
| 46 | Y | 90.4 | Very high | 87.7 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -100.8 | 6.5 | -171.9 | -56 | -62.5 | 0 | 0 | 0 | 113.2 | L42 E43 G44 D157 A159 A160 V161 | L42-Y46 HydrophobicContact CB-CE2 4.28Å; L42-Y46 VanDerWaalsContact O-CD2 3.28Å; L42-Y46 WeakPolarHBondContact O-CD2 3.48Å; E43-Y46 PolarHBondContact O-N 3.48Å; E43-Y46 VanDerWaalsContact O-N 3.1Å; G44-Y46 VanDerWaalsContact C-N 3.26Å; G44-Y46 PolarHBondContact O-N 2.99Å; Y46-D157 PolarHBondContact OH-OD1 3.49Å; Y46-A159 PolarHBondContact OH-O 3Å; Y46-A160 HydrophobicContact CD1-CB 3.77Å; Y46-A160 HydrophobicContact CD2-CB 4.15Å; Y46-A160 HydrophobicContact CE1-CB 4.31Å; Y46-A160 HydrophobicContact CG-CB 3.68Å; Y46-V161 HydrophobicContact CD2-CB 4.22Å; Y46-V161 HydrophobicContact CD2-CG2 4.2Å; Y46-V161 HydrophobicContact CE2-CB 4.48Å; Y46-V161 HydrophobicContact CE2-CG2 3.99Å |
| 47 | M | 88.1 | Confident | 87.1 | Confident | 65 Ų | 65 | 68.1 Ų | 68.1 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 138.4 | 178.2 | -67.9 | -78.4 | 72.5 | 0 | 0 | 112.1 | ||
| 48 | P | 84.9 | Confident | 86.2 | Confident | 22 Ų | 22 | 73 Ų | 73 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 149.6 | 177.4 | 26.7 | -32.4 | 0 | 0 | 0 | 110.7 | Y52 D92 L204 | P48-Y52 HydrophobicContact CB-CD1 3.78Å; P48-Y52 HydrophobicContact CB-CE1 4.2Å; P48-D92 HydrophobicContact CB-CB 4.43Å; P48-L204 HydrophobicContact CG-CD1 3.89Å; P48-L204 HydrophobicContact CG-CG 4.37Å |
| 49 | S | 85.4 | Confident | 85.6 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 143.1 | -178.8 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | L51 Y52 V53 S96 | S49-L51 PolarHBondContact O-N 3.35Å; S49-L51 VanDerWaalsContact O-N 3.13Å; S49-L51 PolarHBondContact OG-N 3.28Å; S49-Y52 VanDerWaalsContact O-CB 3.26Å; S49-Y52 WeakPolarHBondContact O-CB 3.49Å; S49-Y52 PolarHBondContact O-N 3.04Å; S49-V53 PolarHBondContact O-N 3.01Å; S49-S96 PolarHBondContact N-OG 2.87Å |
| 50 | M | 80.1 | Confident | 85.2 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 70% | 0.7 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.6 | -28.3 | 171.1 | -71 | -59 | -62.9 | 0 | 0 | 112.8 | V53 T54 | M50-V53 PolarHBondContact O-N 2.94Å; M50-T54 WeakPolarHBondContact O-CB 3.34Å; M50-T54 PolarHBondContact O-N 3.38Å; M50-T54 PolarHBondContact O-OG1 3.43Å |
| 51 | L | 80.6 | Confident | 84.8 | Confident | 97 Ų | 97 | 74.1 Ų | 74.1 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.1 | -35.4 | 175 | -65.1 | 177.9 | 0 | 0 | 0 | 111.8 | S49 T54 L55 L99 | S49-L51 PolarHBondContact O-N 3.35Å; S49-L51 VanDerWaalsContact O-N 3.13Å; S49-L51 PolarHBondContact OG-N 3.28Å; L51-T54 PolarHBondContact O-N 2.95Å; L51-L55 HydrophobicContact CB-CD1 4.28Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.48Å; L51-L99 HydrophobicContact CB-CD2 4.21Å |
| 52 | Y | 82.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 173.7 | 164.3 | -113.9 | 0 | 0 | 0 | 111.5 | P48 S49 T54 L55 I56 Q57 D92 L95 S96 L204 | P48-Y52 HydrophobicContact CB-CD1 3.78Å; P48-Y52 HydrophobicContact CB-CE1 4.2Å; S49-Y52 VanDerWaalsContact O-CB 3.26Å; S49-Y52 WeakPolarHBondContact O-CB 3.49Å; S49-Y52 PolarHBondContact O-N 3.04Å; Y52-T54 PolarHBondContact O-N 3.1Å; Y52-L55 PolarHBondContact O-N 2.99Å; Y52-I56 HydrophobicContact CD2-CB 3.6Å; Y52-I56 HydrophobicContact CD2-CG1 3.94Å; Y52-I56 HydrophobicContact CD2-CG2 4Å; Y52-I56 HydrophobicContact CE2-CB 3.84Å; Y52-I56 HydrophobicContact CE2-CG2 3.75Å; Y52-I56 WeakPolarHBondContact O-CB 3.48Å; Y52-I56 PolarHBondContact O-N 3.03Å; Y52-Q57 HydrophobicContact CD1-CG 4.17Å; Y52-Q57 HydrophobicContact CD2-CG 4.37Å; Y52-Q57 HydrophobicContact CE1-CG 3.71Å; Y52-Q57 HydrophobicContact CE2-CG 3.83Å; Y52-Q57 PolarHBondContact O-N 3.15Å; Y52-Q57 PolarHBondContact OH-NE2 3.15Å; Y52-D92 HydrophobicContact CE1-CB 4.05Å; Y52-D92 PolarHBondContact OH-OD1 2.82Å; Y52-L95 HydrophobicContact CD2-CB 3.69Å; Y52-L95 HydrophobicContact CE2-CB 3.32Å; Y52-L95 HydrophobicContact CE2-CD1 3.81Å; Y52-L95 HydrophobicContact CE2-CG 4.2Å; Y52-S96 VanDerWaalsContact CB-OG 3.25Å; Y52-S96 WeakPolarHBondContact CB-OG 3.17Å; Y52-L204 HydrophobicContact CE1-CD1 4.23Å; Y52-L204 HydrophobicContact CE1-CD2 4.08Å |
| 53 | V | 79.8 | Confident | 84.5 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 177.6 | -177 | 0 | 0 | 0 | 0 | 110.6 | S49 M50 Q57 L204 | S49-V53 PolarHBondContact O-N 3.01Å; M50-V53 PolarHBondContact O-N 2.94Å; V53-Q57 WeakPolarHBondContact O-CB 3.48Å; V53-L204 HydrophobicContact CG2-CD2 3.94Å; V53-L204 HydrophobicContact CG2-CG 4.4Å |
| 54 | T | 77.1 | Confident | 84.4 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -80.9 | -36.8 | -175.3 | -50.8 | 0 | 0 | 0 | 0 | 113.7 | M50 L51 Y52 | M50-T54 WeakPolarHBondContact O-CB 3.34Å; M50-T54 PolarHBondContact O-N 3.38Å; M50-T54 PolarHBondContact O-OG1 3.43Å; L51-T54 PolarHBondContact O-N 2.95Å; Y52-T54 PolarHBondContact O-N 3.1Å |
| 55 | L | 78.6 | Confident | 84.7 | Confident | 74 Ų | 74 | 74.1 Ų | 74.1 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -99.1 | -34.8 | -169.5 | -60.6 | 176.2 | 0 | 0 | 0 | 113.3 | L51 Y52 L99 | L51-L55 HydrophobicContact CB-CD1 4.28Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.48Å; Y52-L55 PolarHBondContact O-N 2.99Å; L55-L99 HydrophobicContact CD1-CD1 4.1Å |
| 56 | I | 79.4 | Confident | 84.9 | Confident | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.205 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -44.1 | -174.1 | -52.7 | -56.6 | 0 | 0 | 0 | 111.2 | Y52 R58 L99 | Y52-I56 HydrophobicContact CD2-CB 3.6Å; Y52-I56 HydrophobicContact CD2-CG1 3.94Å; Y52-I56 HydrophobicContact CD2-CG2 4Å; Y52-I56 HydrophobicContact CE2-CB 3.84Å; Y52-I56 HydrophobicContact CE2-CG2 3.75Å; Y52-I56 WeakPolarHBondContact O-CB 3.48Å; Y52-I56 PolarHBondContact O-N 3.03Å; I56-R58 PolarHBondContact O-N 3.45Å; I56-L99 HydrophobicContact CD1-CB 4.31Å; I56-L99 WeakPolarHBondContact CD1-O 3.25Å; I56-L99 HydrophobicContact CG1-CD2 4.37Å |
| 57 | Q | 79.6 | Confident | 85.2 | Confident | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 38 | 178.6 | -61.9 | -61.4 | -42.8 | 0 | 0 | 113 | Y52 V53 D59 L204 | Y52-Q57 HydrophobicContact CD1-CG 4.17Å; Y52-Q57 HydrophobicContact CD2-CG 4.37Å; Y52-Q57 HydrophobicContact CE1-CG 3.71Å; Y52-Q57 HydrophobicContact CE2-CG 3.83Å; Y52-Q57 PolarHBondContact O-N 3.15Å; Y52-Q57 PolarHBondContact OH-NE2 3.15Å; V53-Q57 WeakPolarHBondContact O-CB 3.48Å; Q57-D59 PolarHBondContact O-N 2.91Å; Q57-L204 HydrophobicContact CB-CD2 4.46Å; Q57-L204 HydrophobicContact CG-CD2 3.9Å |
| 58 | R | 75.5 | Confident | 85.6 | Confident | 196 Ų | 196 | 66.5 Ų | 66.5 | 74% | 0.74 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.6 | 171.8 | -70 | -174.2 | 175.6 | 177.6 | 0.9 | 112.5 | I56 | I56-R58 PolarHBondContact O-N 3.45Š|
| 59 | D | 81.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 67 Ų | 67 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -126.1 | 86.3 | 175.9 | -176.2 | 4.6 | 0 | 0 | 0 | 108.4 | Q57 Q61 R62 | Q57-D59 PolarHBondContact O-N 2.91Å; D59-Q61 PolarHBondContact O-N 3.46Å; D59-R62 PolarHBondContact O-N 3.24Å; D59-R62 IonicContact OD2-CZ 2.74Å; D59-R62 VanDerWaalsContact OD2-CZ 3.3Å; D59-R62 IonicContact OD2-NE 3.11Å; D59-R62 PolarHBondContact OD2-NE 3.44Å; D59-R62 IonicContact OD2-NH2 2.64Å; D59-R62 PolarHBondContact OD2-NH2 3.05Å |
| 60 | P | 85.7 | Confident | 86.8 | Confident | 49 Ų | 49 | 65 Ų | 65 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -28.1 | -175.5 | -23.9 | 33.4 | 0 | 0 | 0 | 113 | R62 R63 E64 S201 | P60-R62 VanDerWaalsContact C-N 3.28Å; P60-R62 PolarHBondContact O-N 2.92Å; P60-R63 PolarHBondContact O-N 3.41Å; P60-R63 VanDerWaalsContact O-N 3.09Å; P60-E64 WeakPolarHBondContact O-CG 3.3Å; P60-E64 PolarHBondContact O-N 2.98Å; P60-S201 WeakPolarHBondContact CB-OG 3.13Å |
| 61 | Q | 88.6 | Confident | 87.7 | Confident | 129 Ų | 129 | 60.1 Ų | 60.1 | 60% | 0.603 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.6 | -39.2 | -177.8 | -64.5 | -178.5 | -13.4 | 0 | 0 | 111.9 | D59 R63 E64 E65 | D59-Q61 PolarHBondContact O-N 3.46Å; Q61-R63 PolarHBondContact O-N 3.37Å; Q61-E64 PolarHBondContact O-N 2.96Å; Q61-E65 WeakPolarHBondContact O-CG 3.47Å; Q61-E65 PolarHBondContact O-N 2.98Å |
| 62 | R | 88.3 | Confident | 88.5 | Confident | 142 Ų | 142 | 60.9 Ų | 60.9 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 176.9 | -81.4 | -174.6 | -102.4 | 164.9 | -7 | 113.2 | D59 P60 I66 | D59-R62 PolarHBondContact O-N 3.24Å; D59-R62 IonicContact OD2-CZ 2.74Å; D59-R62 VanDerWaalsContact OD2-CZ 3.3Å; D59-R62 IonicContact OD2-NE 3.11Å; D59-R62 PolarHBondContact OD2-NE 3.44Å; D59-R62 IonicContact OD2-NH2 2.64Å; D59-R62 PolarHBondContact OD2-NH2 3.05Å; P60-R62 VanDerWaalsContact C-N 3.28Å; P60-R62 PolarHBondContact O-N 2.92Å; R62-I66 WeakPolarHBondContact O-CD1 3.2Å; R62-I66 VanDerWaalsContact O-CG1 3.28Å; R62-I66 WeakPolarHBondContact O-CG1 3.39Å; R62-I66 PolarHBondContact O-N 3.17Å |
| 63 | R | 92.3 | Very high | 89.2 | Confident | 13 Ų | 13 | 61 Ų | 61 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 174.2 | -178 | -156.4 | 173.2 | -95.5 | 3.9 | 110.4 | P60 Q61 E65 I66 A67 M91 D92 V198 | P60-R63 PolarHBondContact O-N 3.41Å; P60-R63 VanDerWaalsContact O-N 3.09Å; Q61-R63 PolarHBondContact O-N 3.37Å; R63-E65 VanDerWaalsContact C-N 3.3Å; R63-E65 PolarHBondContact O-N 3.02Å; R63-I66 PolarHBondContact O-N 2.93Å; R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.32Å; R63-M91 HydrophobicContact CG-CE 4.34Å; R63-D92 IonicContact CZ-OD1 2.73Å; R63-D92 IonicContact CZ-OD2 3.32Å; R63-D92 IonicContact NE-OD1 3.82Å; R63-D92 PolarHBondContact NE-OD1 3.17Å; R63-D92 IonicContact NE-OD2 3.24Å; R63-D92 PolarHBondContact NE-OD2 2.71Å; R63-D92 IonicContact NH2-OD1 3.35Å; R63-D92 IonicContact NH2-OD2 2.62Å; R63-D92 PolarHBondContact NH2-OD2 3.08Å; R63-V198 PolarHBondContact NH1-O 2.93Å; R63-V198 PolarHBondContact NH2-O 3.41Å |
| 64 | E | 94 | Very high | 90 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 179.7 | -61.7 | -173.9 | 177.4 | 0 | 0 | 112 | P60 Q61 K68 C199 S201 | P60-E64 WeakPolarHBondContact O-CG 3.3Å; P60-E64 PolarHBondContact O-N 2.98Å; Q61-E64 PolarHBondContact O-N 2.96Å; E64-K68 VanDerWaalsContact O-CB 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 WeakPolarHBondContact O-CD 3.46Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 3.07Å; E64-C199 VanDerWaalsContact CG-O 3.29Å; E64-C199 WeakPolarHBondContact CG-O 3.43Å; E64-S201 VanDerWaalsContact OE1-CB 3.23Å; E64-S201 WeakPolarHBondContact OE1-CB 3.29Å; E64-S201 PolarHBondContact OE1-N 3.33Å; E64-S201 PolarHBondContact OE1-OG 2.73Å |
| 65 | E | 94.4 | Very high | 90.9 | Very high | 109 Ų | 109 | 58.7 Ų | 58.7 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 173.2 | -74.8 | 167.4 | -171.4 | 0 | 0 | 111.7 | Q61 R63 A67 K68 W69 | Q61-E65 WeakPolarHBondContact O-CG 3.47Å; Q61-E65 PolarHBondContact O-N 2.98Å; R63-E65 VanDerWaalsContact C-N 3.3Å; R63-E65 PolarHBondContact O-N 3.02Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.15Å; E65-K68 PolarHBondContact O-N 3.45Å; E65-W69 WeakPolarHBondContact O-CB 3.19Å; E65-W69 PolarHBondContact O-N 3.38Å |
| 66 | I | 95.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.8 | -62.3 | 161.8 | 0 | 0 | 0 | 110.9 | R62 R63 W69 A70 M91 P105 A109 | R62-I66 WeakPolarHBondContact O-CD1 3.2Å; R62-I66 VanDerWaalsContact O-CG1 3.28Å; R62-I66 WeakPolarHBondContact O-CG1 3.39Å; R62-I66 PolarHBondContact O-N 3.17Å; R63-I66 PolarHBondContact O-N 2.93Å; I66-W69 PolarHBondContact O-N 2.98Å; I66-A70 WeakPolarHBondContact O-CB 3.2Å; I66-A70 PolarHBondContact O-N 3.38Å; I66-M91 HydrophobicContact CB-SD 4.48Å; I66-M91 HydrophobicContact CG2-CE 4.36Å; I66-M91 HydrophobicContact CG2-SD 3.58Å; I66-M91 VanDerWaalsContact CG2-SD 3.58Å; I66-P105 HydrophobicContact CD1-CB 3.52Å; I66-P105 HydrophobicContact CG1-CB 4.27Å; I66-A109 HydrophobicContact CG2-CB 3.53Å |
| 67 | A | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R63 E65 A70 L71 F84 V88 | R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.32Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.15Å; A67-A70 PolarHBondContact O-N 3.26Å; A67-L71 PolarHBondContact O-N 3.43Å; A67-F84 WeakPolarHBondContact O-CE2 3.32Å; A67-V88 HydrophobicContact CB-CG2 4.37Å |
| 68 | K | 96.5 | Very high | 93 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 173.9 | -75.5 | 165.5 | -169.6 | 166.7 | 0 | 111.3 | E64 E65 A70 L71 E72 | E64-K68 VanDerWaalsContact O-CB 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 WeakPolarHBondContact O-CD 3.46Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 3.07Å; E65-K68 PolarHBondContact O-N 3.45Å; K68-A70 VanDerWaalsContact C-N 3.32Å; K68-A70 PolarHBondContact O-N 3.29Å; K68-L71 WeakPolarHBondContact O-CB 3.39Å; K68-L71 PolarHBondContact O-N 3.16Å; K68-L71 VanDerWaalsContact O-N 3.16Å; K68-E72 WeakPolarHBondContact O-CG 3.25Å; K68-E72 PolarHBondContact O-N 3.48Å |
| 69 | W | 97.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 13% | 0.125 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 174.2 | 175.6 | 82.5 | 0 | 0 | 0 | 111.3 | E65 I66 L71 E72 V73 F106 A109 A110 I113 A133 A134 | E65-W69 WeakPolarHBondContact O-CB 3.19Å; E65-W69 PolarHBondContact O-N 3.38Å; I66-W69 PolarHBondContact O-N 2.98Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.15Å; W69-E72 PolarHBondContact O-N 2.75Å; W69-V73 HydrophobicContact CD2-CG2 3.99Å; W69-V73 HydrophobicContact CE3-CG2 4.41Å; W69-V73 HydrophobicContact CH2-CG2 4.07Å; W69-V73 HydrophobicContact CZ2-CG2 3.63Å; W69-V73 HydrophobicContact CZ3-CG2 4.44Å; W69-V73 WeakPolarHBondContact O-CG2 3.15Å; W69-V73 PolarHBondContact O-N 3.34Å; W69-F106 HydrophobicContact CB-CD1 4.3Å; W69-F106 HydrophobicContact CB-CE1 3.81Å; W69-F106 AromaticContact CD2-CD1 3.54Å; W69-F106 HydrophobicContact CD2-CD1 3.54Å; W69-F106 AromaticContact CD2-CE1 3.98Å; W69-F106 HydrophobicContact CD2-CE1 3.98Å; W69-F106 AromaticContact CE2-CD1 3.97Å; W69-F106 AromaticContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CE1 4.44Å; W69-F106 AromaticContact CG-CD1 3.77Å; W69-F106 HydrophobicContact CG-CD1 3.77Å; W69-F106 AromaticContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CZ3-CD1 4.39Å; W69-A109 HydrophobicContact CE3-CB 4.06Å; W69-A109 HydrophobicContact CZ3-CB 3.75Å; W69-A110 HydrophobicContact CH2-CB 4.01Å; W69-A110 HydrophobicContact CZ3-CB 4.45Å; W69-I113 HydrophobicContact CZ3-CD1 4.23Å; W69-A133 PolarHBondContact NE1-O 3.03Å; W69-A134 HydrophobicContact CZ2-CB 3.9Å |
| 70 | A | 98.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I66 A67 K68 C74 F84 I113 | I66-A70 WeakPolarHBondContact O-CB 3.2Å; I66-A70 PolarHBondContact O-N 3.38Å; A67-A70 PolarHBondContact O-N 3.26Å; K68-A70 VanDerWaalsContact C-N 3.32Å; K68-A70 PolarHBondContact O-N 3.29Å; A70-C74 WeakPolarHBondContact O-CB 3.46Å; A70-C74 PolarHBondContact O-N 3.37Å; A70-C74 PolarHBondContact O-SG 3.2Å; A70-F84 HydrophobicContact CB-CD2 4.19Å; A70-F84 HydrophobicContact CB-CE2 4.02Å; A70-I113 HydrophobicContact CB-CD1 3.94Å; A70-I113 HydrophobicContact CB-CG1 4.49Å |
| 71 | L | 97.8 | Very high | 94.8 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 174 | 176.6 | 60.3 | 0 | 0 | 0 | 111.2 | A67 K68 W69 V73 C74 C75 F84 A195 | A67-L71 PolarHBondContact O-N 3.43Å; K68-L71 WeakPolarHBondContact O-CB 3.39Å; K68-L71 PolarHBondContact O-N 3.16Å; K68-L71 VanDerWaalsContact O-N 3.16Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.15Å; L71-V73 VanDerWaalsContact C-N 3.34Å; L71-V73 PolarHBondContact O-N 2.97Å; L71-C74 PolarHBondContact O-N 3Å; L71-C75 PolarHBondContact O-N 2.74Å; L71-C75 PolarHBondContact O-SG 3.41Å; L71-C75 VanDerWaalsContact O-SG 3.34Å; L71-F84 HydrophobicContact CB-CD1 4.43Å; L71-F84 HydrophobicContact CB-CD2 3.93Å; L71-F84 HydrophobicContact CB-CE1 4.18Å; L71-F84 HydrophobicContact CB-CE2 3.67Å; L71-F84 HydrophobicContact CB-CG 4.31Å; L71-F84 HydrophobicContact CB-CZ 3.81Å; L71-F84 HydrophobicContact CD1-CD1 3.72Å; L71-F84 HydrophobicContact CD1-CD2 4.4Å; L71-F84 HydrophobicContact CD1-CE1 4.01Å; L71-F84 HydrophobicContact CD1-CG 3.93Å; L71-F84 HydrophobicContact CG-CE1 4.48Å; L71-A195 HydrophobicContact CD1-CB 4.13Å |
| 72 | E | 97.5 | Very high | 95.1 | Very high | 113 Ų | 113 | 52 Ų | 52 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 177.5 | -71.4 | 165.1 | -171 | 0 | 0 | 111 | K68 W69 C74 C75 D76 | K68-E72 WeakPolarHBondContact O-CG 3.25Å; K68-E72 PolarHBondContact O-N 3.48Å; W69-E72 PolarHBondContact O-N 2.75Å; E72-C74 VanDerWaalsContact C-N 3.35Å; E72-C74 PolarHBondContact O-N 3.1Å; E72-C75 WeakPolarHBondContact O-CB 3.46Å; E72-C75 PolarHBondContact O-N 2.9Å; E72-D76 PolarHBondContact O-N 2.78Å |
| 73 | V | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | W69 L71 C75 D76 C77 I113 L130 A133 | W69-V73 HydrophobicContact CD2-CG2 3.99Å; W69-V73 HydrophobicContact CE3-CG2 4.41Å; W69-V73 HydrophobicContact CH2-CG2 4.07Å; W69-V73 HydrophobicContact CZ2-CG2 3.63Å; W69-V73 HydrophobicContact CZ3-CG2 4.44Å; W69-V73 WeakPolarHBondContact O-CG2 3.15Å; W69-V73 PolarHBondContact O-N 3.34Å; L71-V73 VanDerWaalsContact C-N 3.34Å; L71-V73 PolarHBondContact O-N 2.97Å; V73-C75 VanDerWaalsContact C-N 3.34Å; V73-D76 PolarHBondContact O-N 2.94Å; V73-C77 WeakPolarHBondContact O-CB 3.5Å; V73-C77 PolarHBondContact O-N 3.21Å; V73-C77 PolarHBondContact O-SG 3.12Å; V73-I113 HydrophobicContact CB-CD1 4.25Å; V73-I113 HydrophobicContact CG1-CD1 4.06Å; V73-L130 HydrophobicContact CG1-CD2 3.61Å; V73-A133 HydrophobicContact CG1-CB 4.22Å; V73-A133 HydrophobicContact CG2-CB 3.77Å |
| 74 | C | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 177.1 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | A70 L71 E72 G78 C79 F84 | A70-C74 WeakPolarHBondContact O-CB 3.46Å; A70-C74 PolarHBondContact O-N 3.37Å; A70-C74 PolarHBondContact O-SG 3.2Å; L71-C74 PolarHBondContact O-N 3Å; E72-C74 VanDerWaalsContact C-N 3.35Å; E72-C74 PolarHBondContact O-N 3.1Å; C74-G78 PolarHBondContact O-N 2.84Å; C74-C79 HydrophobicContact CB-CB 4Å; C74-C79 WeakPolarHBondContact O-CB 3.38Å; C74-C79 PolarHBondContact O-N 3.35Å; C74-C79 PolarHBondContact O-SG 2.82Å; C74-F84 HydrophobicContact CB-CB 4.03Å |
| 75 | C | 95.4 | Very high | 96 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.9 | -45.8 | 175 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | L71 E72 V73 C77 G78 | L71-C75 PolarHBondContact O-N 2.74Å; L71-C75 PolarHBondContact O-SG 3.41Å; L71-C75 VanDerWaalsContact O-SG 3.34Å; E72-C75 WeakPolarHBondContact O-CB 3.46Å; E72-C75 PolarHBondContact O-N 2.9Å; V73-C75 VanDerWaalsContact C-N 3.34Å; C75-C77 VanDerWaalsContact C-N 3.28Å; C75-C77 PolarHBondContact O-N 3.07Å; C75-G78 PolarHBondContact O-N 2.99Å |
| 76 | D | 95.3 | Very high | 96.1 | Very high | 142 Ų | 142 | 38.8 Ų | 38.8 | 76% | 0.759 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.5 | -32 | -179.8 | -72.8 | -13 | 0 | 0 | 0 | 112.4 | E72 V73 G78 | E72-D76 PolarHBondContact O-N 2.78Å; V73-D76 PolarHBondContact O-N 2.94Å; D76-G78 VanDerWaalsContact C-N 3.3Å |
| 77 | C | 93.5 | Very high | 96.3 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 35% | 0.345 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.7 | 174.8 | -63.6 | 0 | 0 | 0 | 0 | 113.6 | V73 C75 C79 V125 | V73-C77 WeakPolarHBondContact O-CB 3.5Å; V73-C77 PolarHBondContact O-N 3.21Å; V73-C77 PolarHBondContact O-SG 3.12Å; C75-C77 VanDerWaalsContact C-N 3.28Å; C75-C77 PolarHBondContact O-N 3.07Å; C77-C79 VanDerWaalsContact C-N 3.3Å; C77-C79 PolarHBondContact O-N 2.95Å; C77-V125 HydrophobicContact CB-CG1 4.4Å; C77-V125 HydrophobicContact CB-CG2 4.05Å |
| 78 | G | 93.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 61% | 0.608 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 30.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | C74 C75 D76 | C74-G78 PolarHBondContact O-N 2.84Å; C75-G78 PolarHBondContact O-N 2.99Å; D76-G78 VanDerWaalsContact C-N 3.3Å |
| 79 | C | 94.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 36 Ų | 36 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | trans | -63.9 | 152.4 | -177.2 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | C74 C77 V83 E121 V125 | C74-C79 HydrophobicContact CB-CB 4Å; C74-C79 WeakPolarHBondContact O-CB 3.38Å; C74-C79 PolarHBondContact O-N 3.35Å; C74-C79 PolarHBondContact O-SG 2.82Å; C77-C79 VanDerWaalsContact C-N 3.3Å; C77-C79 PolarHBondContact O-N 2.95Å; C79-V83 HydrophobicContact CB-CB 3.91Å; C79-V83 HydrophobicContact CB-CG1 4.14Å; C79-V83 HydrophobicContact CB-CG2 3.94Å; C79-E121 VanDerWaalsContact CA-OE1 3.23Å; C79-E121 WeakPolarHBondContact CA-OE1 3.42Å; C79-V125 WeakPolarHBondContact SG-CG2 3.14Å | ||
| 80 | D | 93.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 21% | 0.214 | 21% | 0.206 | C | C | . | . | trans | -60.9 | 146.8 | 167 | -171.9 | -96.3 | 0 | 0 | 0 | 111.5 | R23 A82 V83 E121 | R23-D80 IonicContact CZ-OD2 2.75Å; R23-D80 IonicContact NH1-OD2 3.56Å; R23-D80 PolarHBondContact NH1-OD2 3.19Å; R23-D80 VanDerWaalsContact NH2-CG 3.31Å; R23-D80 IonicContact NH2-OD1 2.94Å; R23-D80 PolarHBondContact NH2-OD1 3.1Å; R23-D80 VanDerWaalsContact NH2-OD1 3.17Å; R23-D80 IonicContact NH2-OD2 3.23Å; R23-D80 PolarHBondContact NH2-OD2 3.23Å; D80-A82 PolarHBondContact O-N 3.49Å; D80-A82 WeakPolarHBondContact OD1-CB 3.31Å; D80-A82 PolarHBondContact OD1-N 2.93Å; D80-A82 VanDerWaalsContact OD1-N 3.16Å; D80-V83 HydrophobicContact CB-CG2 4.32Å; D80-V83 WeakPolarHBondContact O-CB 3.46Å; D80-V83 WeakPolarHBondContact O-CG2 3.49Å; D80-V83 PolarHBondContact O-N 3.18Å; D80-E121 HydrophobicContact CB-CG 4.16Å; D80-E121 PolarHBondContact N-OE1 3.09Å | ||
| 81 | E | 93.8 | Very high | 96.1 | Very high | 101 Ų | 101 | 34.5 Ų | 34.5 | 47% | 0.472 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.6 | -173.3 | -45.3 | -56 | -168.9 | 0 | 0 | 114.1 | P85 Q164 D191 | E81-P85 WeakPolarHBondContact O-CD 3.3Å; E81-P85 WeakPolarHBondContact O-CG 3.3Å; E81-Q164 HydrophobicContact CB-CG 4.37Å; E81-Q164 WeakPolarHBondContact O-CG 3.3Å; E81-Q164 PolarHBondContact O-NE2 3.03Å; E81-D191 HydrophobicContact CB-CB 4.22Å; E81-D191 HydrophobicContact CG-CB 4.2Å |
| 82 | A | 94.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -23.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D80 L86 T120 Q164 | D80-A82 PolarHBondContact O-N 3.49Å; D80-A82 WeakPolarHBondContact OD1-CB 3.31Å; D80-A82 PolarHBondContact OD1-N 2.93Å; D80-A82 VanDerWaalsContact OD1-N 3.16Å; A82-L86 VanDerWaalsContact O-CB 3.23Å; A82-L86 WeakPolarHBondContact O-CB 3.25Å; A82-L86 PolarHBondContact O-N 2.93Å; A82-T120 HydrophobicContact CB-CG2 4.19Å; A82-Q164 HydrophobicContact CB-CB 4.18Å; A82-Q164 HydrophobicContact CB-CG 4.48Å |
| 83 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -52.6 | -174.8 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | C79 D80 L86 S87 I113 A116 T120 E121 | C79-V83 HydrophobicContact CB-CB 3.91Å; C79-V83 HydrophobicContact CB-CG1 4.14Å; C79-V83 HydrophobicContact CB-CG2 3.94Å; D80-V83 HydrophobicContact CB-CG2 4.32Å; D80-V83 WeakPolarHBondContact O-CB 3.46Å; D80-V83 WeakPolarHBondContact O-CG2 3.49Å; D80-V83 PolarHBondContact O-N 3.18Å; V83-L86 PolarHBondContact O-N 2.73Å; V83-S87 WeakPolarHBondContact O-CB 3.49Å; V83-S87 PolarHBondContact O-N 3.29Å; V83-I113 HydrophobicContact CG1-CG2 4.3Å; V83-A116 HydrophobicContact CG1-CB 4Å; V83-A116 WeakPolarHBondContact O-CB 3.4Å; V83-T120 WeakPolarHBondContact CG2-OG1 3.38Å; V83-E121 HydrophobicContact CG2-CG 3.9Å; V83-E121 WeakPolarHBondContact CG2-OE2 3.4Å |
| 84 | F | 98 | Very high | 95.5 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -53.9 | -174.7 | 164.4 | -108.4 | 0 | 0 | 0 | 112.7 | A67 A70 L71 C74 L86 S87 V88 A195 V198 C199 | A67-F84 WeakPolarHBondContact O-CE2 3.32Å; A70-F84 HydrophobicContact CB-CD2 4.19Å; A70-F84 HydrophobicContact CB-CE2 4.02Å; L71-F84 HydrophobicContact CB-CD1 4.43Å; L71-F84 HydrophobicContact CB-CD2 3.93Å; L71-F84 HydrophobicContact CB-CE1 4.18Å; L71-F84 HydrophobicContact CB-CE2 3.67Å; L71-F84 HydrophobicContact CB-CG 4.31Å; L71-F84 HydrophobicContact CB-CZ 3.81Å; L71-F84 HydrophobicContact CD1-CD1 3.72Å; L71-F84 HydrophobicContact CD1-CD2 4.4Å; L71-F84 HydrophobicContact CD1-CE1 4.01Å; L71-F84 HydrophobicContact CD1-CG 3.93Å; L71-F84 HydrophobicContact CG-CE1 4.48Å; C74-F84 HydrophobicContact CB-CB 4.03Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 2.89Å; F84-S87 WeakPolarHBondContact O-CB 3.11Å; F84-S87 PolarHBondContact O-N 3.17Å; F84-S87 VanDerWaalsContact O-N 3.11Å; F84-S87 PolarHBondContact O-OG 3.48Å; F84-V88 HydrophobicContact CD2-CG2 4.05Å; F84-V88 HydrophobicContact CE2-CG2 3.41Å; F84-V88 VanDerWaalsContact CE2-CG2 3.41Å; F84-V88 HydrophobicContact CZ-CG2 3.77Å; F84-V88 PolarHBondContact O-N 3.16Å; F84-A195 HydrophobicContact CD1-CB 3.98Å; F84-A195 HydrophobicContact CE1-CB 4.01Å; F84-V198 HydrophobicContact CD1-CG1 4.45Å; F84-V198 HydrophobicContact CE1-CB 3.83Å; F84-V198 HydrophobicContact CE1-CG1 3.63Å; F84-V198 HydrophobicContact CZ-CB 4.25Å; F84-V198 HydrophobicContact CZ-CG1 3.68Å; F84-C199 WeakPolarHBondContact CZ-SG 3.37Å |
| 85 | P | 97.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.6 | -40.7 | 176.2 | -24.6 | 33.9 | 0 | 0 | 0 | 113.5 | E81 V88 S89 T162 Q164 V198 | E81-P85 WeakPolarHBondContact O-CD 3.3Å; E81-P85 WeakPolarHBondContact O-CG 3.3Å; P85-V88 PolarHBondContact O-N 3.21Å; P85-S89 PolarHBondContact O-N 2.98Å; P85-T162 HydrophobicContact CB-CG2 4.17Å; P85-Q164 VanDerWaalsContact CG-CD 3.45Å; P85-V198 HydrophobicContact CB-CG2 4.17Å |
| 86 | L | 97.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 176.2 | -176.8 | 58.5 | 0 | 0 | 0 | 111.2 | A82 V83 F84 V88 S89 L90 A116 L119 T120 S158 A160 T162 | A82-L86 VanDerWaalsContact O-CB 3.23Å; A82-L86 WeakPolarHBondContact O-CB 3.25Å; A82-L86 PolarHBondContact O-N 2.93Å; V83-L86 PolarHBondContact O-N 2.73Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 2.89Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.05Å; L86-S89 WeakPolarHBondContact O-CB 3.42Å; L86-S89 PolarHBondContact O-N 3.43Å; L86-L90 HydrophobicContact CG-CD1 4.43Å; L86-L90 WeakPolarHBondContact O-CG 3.23Å; L86-L90 PolarHBondContact O-N 3.47Å; L86-A116 HydrophobicContact CB-CB 4.03Å; L86-A116 HydrophobicContact CD2-CB 3.96Å; L86-A116 HydrophobicContact CG-CB 3.96Å; L86-L119 HydrophobicContact CD2-CB 4.4Å; L86-L119 HydrophobicContact CD2-CD1 4.21Å; L86-T120 HydrophobicContact CD2-CG2 3.92Å; L86-S158 WeakPolarHBondContact CD1-O 3.48Å; L86-A160 HydrophobicContact CD1-CB 3.94Å; L86-T162 HydrophobicContact CB-CG2 4.01Å; L86-T162 HydrophobicContact CD1-CG2 4.29Å |
| 87 | S | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 177.6 | 80.5 | 0 | 0 | 0 | 0 | 112.1 | V83 F84 L90 M91 C112 | V83-S87 WeakPolarHBondContact O-CB 3.49Å; V83-S87 PolarHBondContact O-N 3.29Å; F84-S87 WeakPolarHBondContact O-CB 3.11Å; F84-S87 PolarHBondContact O-N 3.17Å; F84-S87 VanDerWaalsContact O-N 3.11Å; F84-S87 PolarHBondContact O-OG 3.48Å; S87-L90 PolarHBondContact O-N 3.04Å; S87-M91 PolarHBondContact O-N 3.42Å; S87-C112 VanDerWaalsContact O-CB 3.24Å; S87-C112 WeakPolarHBondContact O-CB 3.43Å |
| 88 | V | 96.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.8 | -37.8 | 178 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | A67 F84 P85 L86 L90 M91 D92 V198 | A67-V88 HydrophobicContact CB-CG2 4.37Å; F84-V88 HydrophobicContact CD2-CG2 4.05Å; F84-V88 HydrophobicContact CE2-CG2 3.41Å; F84-V88 VanDerWaalsContact CE2-CG2 3.41Å; F84-V88 HydrophobicContact CZ-CG2 3.77Å; F84-V88 PolarHBondContact O-N 3.16Å; P85-V88 PolarHBondContact O-N 3.21Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.05Å; V88-L90 PolarHBondContact O-N 3.21Å; V88-M91 HydrophobicContact CG1-CE 4.21Å; V88-M91 PolarHBondContact O-N 2.88Å; V88-D92 WeakPolarHBondContact O-CB 3.46Å; V88-D92 PolarHBondContact O-N 3.5Å; V88-V198 HydrophobicContact CB-CG1 3.55Å; V88-V198 HydrophobicContact CG1-CG1 3.59Å; V88-V198 HydrophobicContact CG2-CG1 3.7Å |
| 89 | S | 95.9 | Very high | 94 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 16% | 0.161 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 172.4 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | P85 L86 M91 D92 R93 A160 | P85-S89 PolarHBondContact O-N 2.98Å; L86-S89 WeakPolarHBondContact O-CB 3.42Å; L86-S89 PolarHBondContact O-N 3.43Å; S89-M91 PolarHBondContact O-N 3.44Å; S89-D92 PolarHBondContact O-N 2.86Å; S89-R93 VanDerWaalsContact O-CB 3.29Å; S89-R93 WeakPolarHBondContact O-CB 3.34Å; S89-R93 WeakPolarHBondContact O-CD 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.49Å; S89-R93 PolarHBondContact O-N 3.34Å; S89-A160 WeakPolarHBondContact OG-CB 3.48Å |
| 90 | L | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.2 | -68.9 | 170.3 | 0 | 0 | 0 | 111.5 | L86 S87 V88 R93 Y94 C112 I115 A116 L154 | L86-L90 HydrophobicContact CG-CD1 4.43Å; L86-L90 WeakPolarHBondContact O-CG 3.23Å; L86-L90 PolarHBondContact O-N 3.47Å; S87-L90 PolarHBondContact O-N 3.04Å; V88-L90 PolarHBondContact O-N 3.21Å; L90-R93 PolarHBondContact O-N 2.84Å; L90-Y94 VanDerWaalsContact O-CB 3.29Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 PolarHBondContact O-N 2.8Å; L90-C112 HydrophobicContact CB-CB 3.98Å; L90-C112 HydrophobicContact CD1-CB 4.49Å; L90-I115 HydrophobicContact CD1-CB 3.95Å; L90-I115 HydrophobicContact CD1-CG2 3.67Å; L90-A116 HydrophobicContact CD1-CB 4.43Å; L90-L154 HydrophobicContact CB-CD1 4.41Å; L90-L154 HydrophobicContact CD2-CD1 3.37Å |
| 91 | M | 95.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.034 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -51.7 | 177.7 | -179.4 | -176.5 | 65.8 | 0 | 0 | 111.8 | R63 I66 S87 V88 S89 R93 Y94 L95 L108 A109 | R63-M91 HydrophobicContact CG-CE 4.34Å; I66-M91 HydrophobicContact CB-SD 4.48Å; I66-M91 HydrophobicContact CG2-CE 4.36Å; I66-M91 HydrophobicContact CG2-SD 3.58Å; I66-M91 VanDerWaalsContact CG2-SD 3.58Å; S87-M91 PolarHBondContact O-N 3.42Å; V88-M91 HydrophobicContact CG1-CE 4.21Å; V88-M91 PolarHBondContact O-N 2.88Å; S89-M91 PolarHBondContact O-N 3.44Å; M91-R93 VanDerWaalsContact C-N 3.31Å; M91-R93 PolarHBondContact O-N 2.92Å; M91-Y94 WeakPolarHBondContact O-CB 3.24Å; M91-Y94 PolarHBondContact O-N 3.47Å; M91-L95 HydrophobicContact CG-CD1 4.06Å; M91-L95 VanDerWaalsContact O-CG 3.32Å; M91-L95 WeakPolarHBondContact O-CG 3.4Å; M91-L95 PolarHBondContact O-N 3.39Å; M91-L108 HydrophobicContact CG-CD2 3.98Å; M91-L108 HydrophobicContact CG-CG 4.29Å; M91-A109 HydrophobicContact SD-CB 4.42Å |
| 92 | D | 94.2 | Very high | 92 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 6% | 0.059 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | -179 | -75.4 | -32.6 | 0 | 0 | 0 | 111.7 | P48 Y52 R63 V88 S89 S96 | P48-D92 HydrophobicContact CB-CB 4.43Å; Y52-D92 HydrophobicContact CE1-CB 4.05Å; Y52-D92 PolarHBondContact OH-OD1 2.82Å; R63-D92 IonicContact CZ-OD1 2.73Å; R63-D92 IonicContact CZ-OD2 3.32Å; R63-D92 IonicContact NE-OD1 3.82Å; R63-D92 PolarHBondContact NE-OD1 3.17Å; R63-D92 IonicContact NE-OD2 3.24Å; R63-D92 PolarHBondContact NE-OD2 2.71Å; R63-D92 IonicContact NH2-OD1 3.35Å; R63-D92 IonicContact NH2-OD2 2.62Å; R63-D92 PolarHBondContact NH2-OD2 3.08Å; V88-D92 WeakPolarHBondContact O-CB 3.46Å; V88-D92 PolarHBondContact O-N 3.5Å; S89-D92 PolarHBondContact O-N 2.86Å; D92-S96 WeakPolarHBondContact O-CB 3.25Å; D92-S96 PolarHBondContact O-N 2.96Å; D92-S96 PolarHBondContact O-OG 3.42Å |
| 93 | R | 94 | Very high | 91.3 | Very high | 27 Ų | 27 | 33 Ų | 33 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.9 | -39.5 | 176.1 | -71.1 | 170.8 | 62.4 | -147 | -3.2 | 112.3 | S89 L90 M91 S96 A97 L154 D157 | S89-R93 VanDerWaalsContact O-CB 3.29Å; S89-R93 WeakPolarHBondContact O-CB 3.34Å; S89-R93 WeakPolarHBondContact O-CD 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.49Å; S89-R93 PolarHBondContact O-N 3.34Å; L90-R93 PolarHBondContact O-N 2.84Å; M91-R93 VanDerWaalsContact C-N 3.31Å; M91-R93 PolarHBondContact O-N 2.92Å; R93-S96 WeakPolarHBondContact O-CB 3.46Å; R93-S96 PolarHBondContact O-N 3.25Å; R93-A97 PolarHBondContact O-N 3.42Å; R93-L154 HydrophobicContact CB-CD2 3.67Å; R93-D157 PolarHBondContact NH1-O 2.92Å; R93-D157 PolarHBondContact NH2-O 3.15Å; R93-D157 IonicContact NH2-OD2 2.98Å |
| 94 | Y | 93.6 | Very high | 90.9 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 172.8 | 172.7 | -90.5 | 0 | 0 | 0 | 110.9 | L90 M91 S96 A97 Y98 L108 V149 V150 A153 | L90-Y94 VanDerWaalsContact O-CB 3.29Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 PolarHBondContact O-N 2.8Å; M91-Y94 WeakPolarHBondContact O-CB 3.24Å; M91-Y94 PolarHBondContact O-N 3.47Å; Y94-S96 PolarHBondContact O-N 3.28Å; Y94-A97 PolarHBondContact O-N 2.99Å; Y94-Y98 HydrophobicContact CD1-CD2 4.44Å; Y94-Y98 AromaticContact CD2-CD2 3.82Å; Y94-Y98 HydrophobicContact CD2-CD2 3.82Å; Y94-Y98 AromaticContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CE1-CD2 4.09Å; Y94-Y98 AromaticContact CE2-CD2 3.42Å; Y94-Y98 HydrophobicContact CE2-CD2 3.42Å; Y94-Y98 VanDerWaalsContact CE2-CD2 3.42Å; Y94-Y98 AromaticContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CG-CD2 4.32Å; Y94-Y98 AromaticContact CZ-CD2 3.56Å; Y94-Y98 AromaticContact CZ-CE2 3.78Å; Y94-Y98 PolarHBondContact O-N 2.87Å; Y94-Y98 VanDerWaalsContact O-N 3.15Å; Y94-L108 HydrophobicContact CD1-CD1 3.55Å; Y94-L108 HydrophobicContact CD1-CD2 3.6Å; Y94-L108 HydrophobicContact CD1-CG 4.24Å; Y94-L108 HydrophobicContact CD2-CD1 4.36Å; Y94-L108 HydrophobicContact CE1-CD1 3.85Å; Y94-L108 HydrophobicContact CE1-CD2 3.9Å; Y94-L108 HydrophobicContact CG-CD1 3.84Å; Y94-V149 HydrophobicContact CE2-CG1 3.65Å; Y94-V150 HydrophobicContact CD2-CB 4.39Å; Y94-V150 HydrophobicContact CD2-CG2 3.94Å; Y94-V150 HydrophobicContact CE2-CG2 4.28Å; Y94-V150 HydrophobicContact CG-CG2 4.38Å; Y94-A153 HydrophobicContact CD2-CB 3.68Å; Y94-A153 HydrophobicContact CE2-CB 4.05Å |
| 95 | L | 91.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -29.2 | 178.4 | -64.9 | 173.3 | 0 | 0 | 0 | 112.1 | Y52 M91 L99 L101 L108 | Y52-L95 HydrophobicContact CD2-CB 3.69Å; Y52-L95 HydrophobicContact CE2-CB 3.32Å; Y52-L95 HydrophobicContact CE2-CD1 3.81Å; Y52-L95 HydrophobicContact CE2-CG 4.2Å; M91-L95 HydrophobicContact CG-CD1 4.06Å; M91-L95 VanDerWaalsContact O-CG 3.32Å; M91-L95 WeakPolarHBondContact O-CG 3.4Å; M91-L95 PolarHBondContact O-N 3.39Å; L95-L99 WeakPolarHBondContact O-CA 3.45Å; L95-L99 PolarHBondContact O-N 3.18Å; L95-L101 HydrophobicContact CD1-CD1 4.27Å; L95-L101 HydrophobicContact CD2-CD1 3.93Å; L95-L108 HydrophobicContact CD2-CD2 3.89Å; L95-L108 HydrophobicContact CG-CD2 4.12Å |
| 96 | S | 91.3 | Very high | 90.6 | Very high | 21 Ų | 21 | 39 Ų | 39 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.9 | -31.6 | 171 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | S49 Y52 D92 R93 Y94 | S49-S96 PolarHBondContact N-OG 2.87Å; Y52-S96 VanDerWaalsContact CB-OG 3.25Å; Y52-S96 WeakPolarHBondContact CB-OG 3.17Å; D92-S96 WeakPolarHBondContact O-CB 3.25Å; D92-S96 PolarHBondContact O-N 2.96Å; D92-S96 PolarHBondContact O-OG 3.42Å; R93-S96 WeakPolarHBondContact O-CB 3.46Å; R93-S96 PolarHBondContact O-N 3.25Å; Y94-S96 PolarHBondContact O-N 3.28Å |
| 97 | A | 89.8 | Confident | 90.6 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 50% | 0.504 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -78.4 | -41.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R93 Y94 | R93-A97 PolarHBondContact O-N 3.42Å; Y94-A97 PolarHBondContact O-N 2.99Å |
| 98 | Y | 86.6 | Confident | 90.5 | Very high | 109 Ų | 109 | 38.7 Ų | 38.7 | 43% | 0.427 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -95.7 | -22.1 | -176 | -71.9 | -75.6 | 0 | 0 | 0 | 114.9 | Y94 S100 A153 | Y94-Y98 HydrophobicContact CD1-CD2 4.44Å; Y94-Y98 AromaticContact CD2-CD2 3.82Å; Y94-Y98 HydrophobicContact CD2-CD2 3.82Å; Y94-Y98 AromaticContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CE1-CD2 4.09Å; Y94-Y98 AromaticContact CE2-CD2 3.42Å; Y94-Y98 HydrophobicContact CE2-CD2 3.42Å; Y94-Y98 VanDerWaalsContact CE2-CD2 3.42Å; Y94-Y98 AromaticContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CG-CD2 4.32Å; Y94-Y98 AromaticContact CZ-CD2 3.56Å; Y94-Y98 AromaticContact CZ-CE2 3.78Å; Y94-Y98 PolarHBondContact O-N 2.87Å; Y94-Y98 VanDerWaalsContact O-N 3.15Å; Y98-S100 PolarHBondContact O-N 3.23Å; Y98-A153 HydrophobicContact CD2-CB 4.24Å; Y98-A153 HydrophobicContact CE2-CB 3.28Å |
| 99 | L | 82.8 | Confident | 90.5 | Very high | 65 Ų | 65 | 38.7 Ų | 38.7 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | trans | 51.5 | 40.3 | -175.6 | -55.9 | 174.2 | 0 | 0 | 0 | 112.3 | L51 L55 I56 L95 | L51-L99 HydrophobicContact CB-CD2 4.21Å; L55-L99 HydrophobicContact CD1-CD1 4.1Å; I56-L99 HydrophobicContact CD1-CB 4.31Å; I56-L99 WeakPolarHBondContact CD1-O 3.25Å; I56-L99 HydrophobicContact CG1-CD2 4.37Å; L95-L99 WeakPolarHBondContact O-CA 3.45Å; L95-L99 PolarHBondContact O-N 3.18Å | ||
| 100 | S | 79.7 | Confident | 90.7 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 43% | 0.427 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -153.5 | 139 | 173.5 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | Y98 | Y98-S100 PolarHBondContact O-N 3.23Š|
| 101 | L | 78.2 | Confident | 90.7 | Very high | 77 Ų | 77 | 37.6 Ų | 37.6 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | trans | -76.3 | 131.7 | 171 | -159.9 | 73.6 | 0 | 0 | 0 | 109.1 | L95 P105 | L95-L101 HydrophobicContact CD1-CD1 4.27Å; L95-L101 HydrophobicContact CD2-CD1 3.93Å; L101-P105 HydrophobicContact CD1-CB 4.3Å; L101-P105 HydrophobicContact CD1-CG 4.39Å; L101-P105 HydrophobicContact CD2-CB 4.23Å; L101-P105 HydrophobicContact CD2-CG 3.54Å; L101-P105 HydrophobicContact CG-CB 4.28Å; L101-P105 HydrophobicContact CG-CG 3.85Å | ||
| 102 | P | 81 | Confident | 90.8 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | trans | -66.3 | 161.6 | 174.2 | 28 | -32.5 | 0 | 0 | 0 | 110.6 | S104 L108 M146 | P102-S104 PolarHBondContact O-N 3.1Å; P102-L108 HydrophobicContact CG-CB 3.8Å; P102-L108 HydrophobicContact CG-CD2 3.82Å; P102-L108 HydrophobicContact CG-CG 4.37Å; P102-M146 HydrophobicContact CB-CE 4.28Å | ||
| 103 | V | 79.7 | Confident | 91 | Very high | 158 Ų | 158 | 36.7 Ų | 36.7 | 96% | 0.958 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -56.7 | -33.1 | 178 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 104 | S | 90 | Very high | 91.2 | Very high | 37 Ų | 37 | 35.8 Ų | 35.8 | 26% | 0.259 | 21% | 0.205 | S | C | . | . | trans | -118.9 | 95.4 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | P102 C107 L108 | P102-S104 PolarHBondContact O-N 3.1Å; S104-C107 PolarHBondContact O-N 3.03Å; S104-C107 WeakPolarHBondContact OG-CB 3.35Å; S104-C107 PolarHBondContact OG-N 2.94Å; S104-L108 PolarHBondContact O-N 3.11Å | ||
| 105 | P | 92.8 | Very high | 91.5 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 17% | 0.169 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.7 | -34.7 | 178.3 | -19.7 | 32.1 | 0 | 0 | 0 | 113.2 | I66 L101 L108 A109 | I66-P105 HydrophobicContact CD1-CB 3.52Å; I66-P105 HydrophobicContact CG1-CB 4.27Å; L101-P105 HydrophobicContact CD1-CB 4.3Å; L101-P105 HydrophobicContact CD1-CG 4.39Å; L101-P105 HydrophobicContact CD2-CB 4.23Å; L101-P105 HydrophobicContact CD2-CG 3.54Å; L101-P105 HydrophobicContact CG-CB 4.28Å; L101-P105 HydrophobicContact CG-CG 3.85Å; P105-L108 WeakPolarHBondContact O-CB 3.47Å; P105-L108 PolarHBondContact O-N 3.35Å; P105-A109 PolarHBondContact O-N 2.74Å |
| 106 | F | 95.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 35 Ų | 35 | 34% | 0.338 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.2 | -34.9 | 176 | -67.5 | -81.3 | 0 | 0 | 0 | 112 | W69 L108 A109 A110 F138 | W69-F106 HydrophobicContact CB-CD1 4.3Å; W69-F106 HydrophobicContact CB-CE1 3.81Å; W69-F106 AromaticContact CD2-CD1 3.54Å; W69-F106 HydrophobicContact CD2-CD1 3.54Å; W69-F106 AromaticContact CD2-CE1 3.98Å; W69-F106 HydrophobicContact CD2-CE1 3.98Å; W69-F106 AromaticContact CE2-CD1 3.97Å; W69-F106 AromaticContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CE1 4.44Å; W69-F106 AromaticContact CG-CD1 3.77Å; W69-F106 HydrophobicContact CG-CD1 3.77Å; W69-F106 AromaticContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CZ3-CD1 4.39Å; F106-L108 VanDerWaalsContact C-N 3.33Å; F106-A109 PolarHBondContact O-N 2.94Å; F106-A110 VanDerWaalsContact O-CB 3.29Å; F106-A110 WeakPolarHBondContact O-CB 3.37Å; F106-A110 PolarHBondContact O-N 2.78Å; F106-F138 HydrophobicContact CB-CE1 4.33Å |
| 107 | C | 97.1 | Very high | 92 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 171.3 | -174 | 0 | 0 | 0 | 0 | 111.5 | S104 G111 F138 M146 | S104-C107 PolarHBondContact O-N 3.03Å; S104-C107 WeakPolarHBondContact OG-CB 3.35Å; S104-C107 PolarHBondContact OG-N 2.94Å; C107-G111 PolarHBondContact O-N 2.83Å; C107-F138 HydrophobicContact CB-CB 4.19Å; C107-F138 HydrophobicContact CB-CD1 3.62Å; C107-F138 HydrophobicContact CB-CD2 4.48Å; C107-F138 HydrophobicContact CB-CE1 4.07Å; C107-F138 HydrophobicContact CB-CG 3.84Å; C107-M146 WeakPolarHBondContact O-CG 3.33Å |
| 108 | L | 97 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 171.9 | 170.4 | 66.3 | 0 | 0 | 0 | 111.7 | M91 Y94 L95 P102 S104 P105 F106 G111 C112 M146 V150 | M91-L108 HydrophobicContact CG-CD2 3.98Å; M91-L108 HydrophobicContact CG-CG 4.29Å; Y94-L108 HydrophobicContact CD1-CD1 3.55Å; Y94-L108 HydrophobicContact CD1-CD2 3.6Å; Y94-L108 HydrophobicContact CD1-CG 4.24Å; Y94-L108 HydrophobicContact CD2-CD1 4.36Å; Y94-L108 HydrophobicContact CE1-CD1 3.85Å; Y94-L108 HydrophobicContact CE1-CD2 3.9Å; Y94-L108 HydrophobicContact CG-CD1 3.84Å; L95-L108 HydrophobicContact CD2-CD2 3.89Å; L95-L108 HydrophobicContact CG-CD2 4.12Å; P102-L108 HydrophobicContact CG-CB 3.8Å; P102-L108 HydrophobicContact CG-CD2 3.82Å; P102-L108 HydrophobicContact CG-CG 4.37Å; S104-L108 PolarHBondContact O-N 3.11Å; P105-L108 WeakPolarHBondContact O-CB 3.47Å; P105-L108 PolarHBondContact O-N 3.35Å; F106-L108 VanDerWaalsContact C-N 3.33Å; L108-G111 PolarHBondContact O-N 3.45Å; L108-C112 PolarHBondContact O-N 3.48Å; L108-C112 PolarHBondContact O-SG 3.02Å; L108-M146 HydrophobicContact CB-CE 4.3Å; L108-M146 HydrophobicContact CB-SD 4.09Å; L108-M146 HydrophobicContact CD1-SD 3.88Å; L108-V150 HydrophobicContact CD1-CG2 3.49Å; L108-V150 VanDerWaalsContact CD1-CG2 3.49Å |
| 109 | A | 97.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I66 W69 M91 P105 F106 G111 C112 I113 | I66-A109 HydrophobicContact CG2-CB 3.53Å; W69-A109 HydrophobicContact CE3-CB 4.06Å; W69-A109 HydrophobicContact CZ3-CB 3.75Å; M91-A109 HydrophobicContact SD-CB 4.42Å; P105-A109 PolarHBondContact O-N 2.74Å; F106-A109 PolarHBondContact O-N 2.94Å; A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.28Å; A109-C112 WeakPolarHBondContact O-CB 3.49Å; A109-C112 PolarHBondContact O-N 3.47Å; A109-C112 VanDerWaalsContact O-N 3.11Å; A109-I113 WeakPolarHBondContact O-CG1 3.41Å; A109-I113 PolarHBondContact O-N 3.45Å |
| 110 | A | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.8 | -43.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W69 F106 C112 I113 L114 L130 F138 L143 | W69-A110 HydrophobicContact CH2-CB 4.01Å; W69-A110 HydrophobicContact CZ3-CB 4.45Å; F106-A110 VanDerWaalsContact O-CB 3.29Å; F106-A110 WeakPolarHBondContact O-CB 3.37Å; F106-A110 PolarHBondContact O-N 2.78Å; A110-C112 VanDerWaalsContact C-N 3.29Å; A110-C112 PolarHBondContact O-N 3.28Å; A110-I113 PolarHBondContact O-N 3.13Å; A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 2.9Å; A110-L130 HydrophobicContact CB-CB 4.27Å; A110-L130 HydrophobicContact CB-CD1 4.45Å; A110-L130 WeakPolarHBondContact O-CD1 3.39Å; A110-F138 HydrophobicContact CB-CE1 4.35Å; A110-F138 HydrophobicContact CB-CE2 4.07Å; A110-F138 HydrophobicContact CB-CZ 3.54Å; A110-L143 HydrophobicContact CB-CD1 3.55Å |
| 111 | G | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C107 L108 A109 L114 I115 L143 | C107-G111 PolarHBondContact O-N 2.83Å; L108-G111 PolarHBondContact O-N 3.45Å; A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.28Å; G111-L114 PolarHBondContact O-N 2.93Å; G111-I115 WeakPolarHBondContact O-CD1 3.15Å; G111-I115 VanDerWaalsContact O-CG1 3.28Å; G111-I115 WeakPolarHBondContact O-CG1 3.41Å; G111-I115 PolarHBondContact O-N 3.22Å; G111-L143 VanDerWaalsContact N-CD1 3.29Å |
| 112 | C | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.4 | -38.6 | 175.4 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | S87 L90 L108 A109 A110 I115 A116 | S87-C112 VanDerWaalsContact O-CB 3.24Å; S87-C112 WeakPolarHBondContact O-CB 3.43Å; L90-C112 HydrophobicContact CB-CB 3.98Å; L90-C112 HydrophobicContact CD1-CB 4.49Å; L108-C112 PolarHBondContact O-N 3.48Å; L108-C112 PolarHBondContact O-SG 3.02Å; A109-C112 WeakPolarHBondContact O-CB 3.49Å; A109-C112 PolarHBondContact O-N 3.47Å; A109-C112 VanDerWaalsContact O-N 3.11Å; A110-C112 VanDerWaalsContact C-N 3.29Å; A110-C112 PolarHBondContact O-N 3.28Å; C112-I115 PolarHBondContact O-N 2.94Å; C112-A116 WeakPolarHBondContact O-CB 3.33Å; C112-A116 PolarHBondContact O-N 3.33Å |
| 113 | I | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 173.1 | -65.3 | 166 | 0 | 0 | 0 | 109.9 | W69 A70 V73 V83 A109 A110 I115 A116 S117 V125 L130 | W69-I113 HydrophobicContact CZ3-CD1 4.23Å; A70-I113 HydrophobicContact CB-CD1 3.94Å; A70-I113 HydrophobicContact CB-CG1 4.49Å; V73-I113 HydrophobicContact CB-CD1 4.25Å; V73-I113 HydrophobicContact CG1-CD1 4.06Å; V83-I113 HydrophobicContact CG1-CG2 4.3Å; A109-I113 WeakPolarHBondContact O-CG1 3.41Å; A109-I113 PolarHBondContact O-N 3.45Å; A110-I113 PolarHBondContact O-N 3.13Å; I113-I115 VanDerWaalsContact C-N 3.32Å; I113-I115 PolarHBondContact O-N 3.4Å; I113-A116 PolarHBondContact O-N 3.45Å; I113-S117 PolarHBondContact O-N 3.14Å; I113-S117 PolarHBondContact O-OG 2.9Å; I113-V125 HydrophobicContact CG2-CG2 4.5Å; I113-L130 HydrophobicContact CB-CD2 4.29Å; I113-L130 HydrophobicContact CD1-CD2 4.35Å; I113-L130 HydrophobicContact CG2-CD2 3.99Å |
| 114 | L | 98 | Very high | 94.4 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | 178.6 | -176.3 | 62.9 | 0 | 0 | 0 | 112.4 | A110 G111 S117 K118 V125 L130 L143 | A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 2.9Å; G111-L114 PolarHBondContact O-N 2.93Å; L114-S117 PolarHBondContact O-OG 3.42Å; L114-K118 WeakPolarHBondContact O-CD 3.48Å; L114-K118 VanDerWaalsContact O-CG 3.24Å; L114-K118 WeakPolarHBondContact O-CG 3.48Å; L114-K118 PolarHBondContact O-N 2.9Å; L114-V125 WeakPolarHBondContact CD1-O 3.4Å; L114-L130 HydrophobicContact CB-CD1 3.81Å; L114-L130 HydrophobicContact CD1-CD1 4.34Å; L114-L143 HydrophobicContact CD2-CD2 4.27Å; L114-L143 HydrophobicContact CD2-CG 4.15Å |
| 115 | I | 98.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.6 | -44.9 | 175.5 | -67.7 | 162.3 | 0 | 0 | 0 | 110.3 | L90 G111 C112 I113 K118 L119 E147 V150 L151 | L90-I115 HydrophobicContact CD1-CB 3.95Å; L90-I115 HydrophobicContact CD1-CG2 3.67Å; G111-I115 WeakPolarHBondContact O-CD1 3.15Å; G111-I115 VanDerWaalsContact O-CG1 3.28Å; G111-I115 WeakPolarHBondContact O-CG1 3.41Å; G111-I115 PolarHBondContact O-N 3.22Å; C112-I115 PolarHBondContact O-N 2.94Å; I113-I115 VanDerWaalsContact C-N 3.32Å; I113-I115 PolarHBondContact O-N 3.4Å; I115-K118 PolarHBondContact O-N 3.26Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 2.75Å; I115-E147 HydrophobicContact CD1-CG 4.23Å; I115-E147 HydrophobicContact CG1-CG 3.9Å; I115-V150 HydrophobicContact CD1-CB 3.76Å; I115-V150 HydrophobicContact CD1-CG1 3.56Å; I115-L151 HydrophobicContact CD1-CD2 4.12Å; I115-L151 HydrophobicContact CD1-CG 3.88Å; I115-L151 HydrophobicContact CG1-CD2 4.36Å; I115-L151 HydrophobicContact CG1-CG 4.29Å; I115-L151 HydrophobicContact CG2-CD2 4.06Å |
| 116 | A | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -48.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V83 L86 L90 C112 I113 K118 L119 T120 | V83-A116 HydrophobicContact CG1-CB 4Å; V83-A116 WeakPolarHBondContact O-CB 3.4Å; L86-A116 HydrophobicContact CB-CB 4.03Å; L86-A116 HydrophobicContact CD2-CB 3.96Å; L86-A116 HydrophobicContact CG-CB 3.96Å; L90-A116 HydrophobicContact CD1-CB 4.43Å; C112-A116 WeakPolarHBondContact O-CB 3.33Å; C112-A116 PolarHBondContact O-N 3.33Å; I113-A116 PolarHBondContact O-N 3.45Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.22Å; A116-L119 WeakPolarHBondContact O-CB 3.27Å; A116-L119 PolarHBondContact O-N 3.23Å; A116-T120 PolarHBondContact O-N 2.9Å; A116-T120 VanDerWaalsContact O-N 3.09Å; A116-T120 PolarHBondContact O-OG1 3.34Å |
| 117 | S | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.2 | -40.5 | 178.7 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | I113 L114 L119 T120 E121 V125 | I113-S117 PolarHBondContact O-N 3.14Å; I113-S117 PolarHBondContact O-OG 2.9Å; L114-S117 PolarHBondContact O-OG 3.42Å; S117-L119 PolarHBondContact O-N 3.04Å; S117-T120 PolarHBondContact O-N 2.88Å; S117-E121 WeakPolarHBondContact CB-OE2 3.47Å; S117-E121 WeakPolarHBondContact O-CB 3.23Å; S117-E121 PolarHBondContact O-N 3.15Å; S117-V125 PolarHBondContact OG-N 3.35Å |
| 118 | K | 96.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 40.4 Ų | 40.4 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -22.8 | 173.9 | -74.1 | 172.9 | -177.9 | 177.5 | 0 | 114.6 | L114 I115 A116 T124 E147 | L114-K118 WeakPolarHBondContact O-CD 3.48Å; L114-K118 VanDerWaalsContact O-CG 3.24Å; L114-K118 WeakPolarHBondContact O-CG 3.48Å; L114-K118 PolarHBondContact O-N 2.9Å; I115-K118 PolarHBondContact O-N 3.26Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.22Å; K118-T124 HydrophobicContact CB-CG2 4.32Å; K118-T124 HydrophobicContact CG-CG2 3.88Å; K118-E147 VanDerWaalsContact NZ-CD 3.26Å; K118-E147 IonicContact NZ-OE1 3.46Å; K118-E147 PolarHBondContact NZ-OE1 2.95Å; K118-E147 IonicContact NZ-OE2 2.85Å; K118-E147 PolarHBondContact NZ-OE2 3.28Å; K118-E147 VanDerWaalsContact NZ-OE2 3.11Å |
| 119 | L | 94.8 | Very high | 94.6 | Very high | 87 Ų | 87 | 42 Ų | 42 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -93.2 | -28.7 | -179.8 | -67.3 | 169.2 | 0 | 0 | 0 | 112.6 | L86 I115 A116 S117 S158 | L86-L119 HydrophobicContact CD2-CB 4.4Å; L86-L119 HydrophobicContact CD2-CD1 4.21Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 2.75Å; A116-L119 WeakPolarHBondContact O-CB 3.27Å; A116-L119 PolarHBondContact O-N 3.23Å; S117-L119 PolarHBondContact O-N 3.04Å; L119-S158 WeakPolarHBondContact CD1-OG 3.33Å |
| 120 | T | 89.9 | Confident | 94.6 | Very high | 51 Ų | 51 | 41.9 Ų | 41.9 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -108.9 | -21.6 | -169.7 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | A82 V83 L86 A116 S117 | A82-T120 HydrophobicContact CB-CG2 4.19Å; V83-T120 WeakPolarHBondContact CG2-OG1 3.38Å; L86-T120 HydrophobicContact CD2-CG2 3.92Å; A116-T120 PolarHBondContact O-N 2.9Å; A116-T120 VanDerWaalsContact O-N 3.09Å; A116-T120 PolarHBondContact O-OG1 3.34Å; S117-T120 PolarHBondContact O-N 2.88Å |
| 121 | E | 87.5 | Confident | 94.6 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -122.8 | 152.7 | -169 | -55.6 | -179.1 | 115.9 | 0 | 0 | 113 | C79 D80 V83 S117 | C79-E121 VanDerWaalsContact CA-OE1 3.23Å; C79-E121 WeakPolarHBondContact CA-OE1 3.42Å; D80-E121 HydrophobicContact CB-CG 4.16Å; D80-E121 PolarHBondContact N-OE1 3.09Å; V83-E121 HydrophobicContact CG2-CG 3.9Å; V83-E121 WeakPolarHBondContact CG2-OE2 3.4Å; S117-E121 WeakPolarHBondContact CB-OE2 3.47Å; S117-E121 WeakPolarHBondContact O-CB 3.23Å; S117-E121 PolarHBondContact O-N 3.15Å | ||
| 122 | C | 83.1 | Confident | 94.5 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 76% | 0.764 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -77.1 | -43.5 | 171.6 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 123 | E | 86.4 | Confident | 94.4 | Very high | 176 Ų | 176 | 47.7 Ų | 47.7 | 82% | 0.822 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -100.6 | 103.3 | 175 | -64.7 | -166.9 | 171.9 | 0 | 0 | 109.1 | ||
| 124 | T | 89.9 | Confident | 94.3 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 141.4 | -172 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | K118 T126 | K118-T124 HydrophobicContact CB-CG2 4.32Å; K118-T124 HydrophobicContact CG-CG2 3.88Å; T124-T126 PolarHBondContact O-N 3.21Å |
| 125 | V | 94.2 | Very high | 94.2 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 131.6 | 170.1 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | C77 C79 I113 L114 S117 A129 L130 | C77-V125 HydrophobicContact CB-CG1 4.4Å; C77-V125 HydrophobicContact CB-CG2 4.05Å; C79-V125 WeakPolarHBondContact SG-CG2 3.14Å; I113-V125 HydrophobicContact CG2-CG2 4.5Å; L114-V125 WeakPolarHBondContact CD1-O 3.4Å; S117-V125 PolarHBondContact OG-N 3.35Å; V125-A129 HydrophobicContact CG1-CB 4.43Å; V125-L130 HydrophobicContact CG1-CD1 4.15Å; V125-L130 HydrophobicContact CG1-CD2 3.88Å; V125-L130 HydrophobicContact CG1-CG 3.73Å |
| 126 | T | 95.6 | Very high | 94 | Very high | 78 Ų | 78 | 62 Ų | 62 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 152 | -177.8 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | T124 D128 A129 L130 | T124-T126 PolarHBondContact O-N 3.21Å; T126-D128 PolarHBondContact O-N 2.95Å; T126-A129 PolarHBondContact O-N 3.36Å; T126-A129 VanDerWaalsContact OG1-CB 3.32Å; T126-A129 WeakPolarHBondContact OG1-CB 3.13Å; T126-A129 PolarHBondContact OG1-N 2.95Å; T126-A129 VanDerWaalsContact OG1-N 3.16Å; T126-L130 PolarHBondContact O-N 3.33Å |
| 127 | A | 95.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 65.8 Ų | 65.8 | 12% | 0.124 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -36.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L130 C131 P140 L143 | A127-L130 PolarHBondContact O-N 2.97Å; A127-C131 PolarHBondContact O-N 2.88Å; A127-C131 PolarHBondContact O-SG 3.18Å; A127-P140 HydrophobicContact CB-CB 4.37Å; A127-L143 HydrophobicContact CB-CD2 3.85Å |
| 128 | D | 96.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | -179.9 | -61.9 | -52.3 | 0 | 0 | 0 | 111.9 | T126 C131 T132 P140 | T126-D128 PolarHBondContact O-N 2.95Å; D128-C131 PolarHBondContact O-N 2.92Å; D128-T132 WeakPolarHBondContact O-CB 3.44Å; D128-T132 PolarHBondContact O-N 2.98Å; D128-T132 PolarHBondContact O-OG1 3.16Å; D128-P140 WeakPolarHBondContact OD1-CG 3.27Å |
| 129 | A | 96.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 66.3 Ų | 66.3 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V125 T126 C131 T132 A133 | V125-A129 HydrophobicContact CG1-CB 4.43Å; T126-A129 PolarHBondContact O-N 3.36Å; T126-A129 VanDerWaalsContact OG1-CB 3.32Å; T126-A129 WeakPolarHBondContact OG1-CB 3.13Å; T126-A129 PolarHBondContact OG1-N 2.95Å; T126-A129 VanDerWaalsContact OG1-N 3.16Å; A129-C131 PolarHBondContact O-N 3.36Å; A129-T132 WeakPolarHBondContact O-CB 3.1Å; A129-T132 PolarHBondContact O-N 3.44Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 2.83Å |
| 130 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 177.7 | -68.4 | 171.2 | 0 | 0 | 0 | 113 | V73 A110 I113 L114 V125 T126 A127 T132 A133 A134 L143 | V73-L130 HydrophobicContact CG1-CD2 3.61Å; A110-L130 HydrophobicContact CB-CB 4.27Å; A110-L130 HydrophobicContact CB-CD1 4.45Å; A110-L130 WeakPolarHBondContact O-CD1 3.39Å; I113-L130 HydrophobicContact CB-CD2 4.29Å; I113-L130 HydrophobicContact CD1-CD2 4.35Å; I113-L130 HydrophobicContact CG2-CD2 3.99Å; L114-L130 HydrophobicContact CB-CD1 3.81Å; L114-L130 HydrophobicContact CD1-CD1 4.34Å; V125-L130 HydrophobicContact CG1-CD1 4.15Å; V125-L130 HydrophobicContact CG1-CD2 3.88Å; V125-L130 HydrophobicContact CG1-CG 3.73Å; T126-L130 PolarHBondContact O-N 3.33Å; A127-L130 PolarHBondContact O-N 2.97Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-A133 PolarHBondContact O-N 2.81Å; L130-A134 WeakPolarHBondContact O-CB 3.49Å; L130-A134 PolarHBondContact O-N 3.37Å; L130-A134 VanDerWaalsContact O-N 3.15Å; L130-L143 HydrophobicContact CB-CD2 3.87Å; L130-L143 HydrophobicContact CD1-CD2 3.84Å |
| 131 | C | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.4 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | A127 D128 A129 A134 E135 F136 F138 | A127-C131 PolarHBondContact O-N 2.88Å; A127-C131 PolarHBondContact O-SG 3.18Å; D128-C131 PolarHBondContact O-N 2.92Å; A129-C131 PolarHBondContact O-N 3.36Å; C131-A134 CarbonylContact O-C 3.51Å; C131-A134 PolarHBondContact O-N 3.48Å; C131-E135 PolarHBondContact O-N 2.74Å; C131-F136 HydrophobicContact CB-CD1 4.22Å; C131-F136 HydrophobicContact CB-CE1 4.46Å; C131-F136 WeakPolarHBondContact O-CA 3.11Å; C131-F136 PolarHBondContact O-N 2.64Å; C131-F138 HydrophobicContact CB-CE2 4.44Å |
| 132 | T | 97.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 176.6 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | D128 A129 L130 A134 E135 F136 | D128-T132 WeakPolarHBondContact O-CB 3.44Å; D128-T132 PolarHBondContact O-N 2.98Å; D128-T132 PolarHBondContact O-OG1 3.16Å; A129-T132 WeakPolarHBondContact O-CB 3.1Å; A129-T132 PolarHBondContact O-N 3.44Å; L130-T132 VanDerWaalsContact C-N 3.33Å; T132-A134 PolarHBondContact O-N 2.93Å; T132-E135 PolarHBondContact O-N 3.03Å; T132-F136 HydrophobicContact CG2-CZ 4.5Å |
| 133 | A | 95.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 61 Ų | 61 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -22.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W69 V73 A129 L130 | W69-A133 PolarHBondContact NE1-O 3.03Å; V73-A133 HydrophobicContact CG1-CB 4.22Å; V73-A133 HydrophobicContact CG2-CB 3.77Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 2.83Å; L130-A133 PolarHBondContact O-N 2.81Å |
| 134 | A | 95.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 17.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W69 L130 C131 T132 F136 S137 F138 | W69-A134 HydrophobicContact CZ2-CB 3.9Å; L130-A134 WeakPolarHBondContact O-CB 3.49Å; L130-A134 PolarHBondContact O-N 3.37Å; L130-A134 VanDerWaalsContact O-N 3.15Å; C131-A134 CarbonylContact O-C 3.51Å; C131-A134 PolarHBondContact O-N 3.48Å; T132-A134 PolarHBondContact O-N 2.93Å; A134-F136 PolarHBondContact O-N 3.4Å; A134-F136 VanDerWaalsContact O-N 3.11Å; A134-S137 VanDerWaalsContact O-CB 3.28Å; A134-S137 WeakPolarHBondContact O-CB 3.25Å; A134-S137 PolarHBondContact O-N 3.47Å; A134-S137 PolarHBondContact O-OG 3.28Å; A134-F138 HydrophobicContact CB-CD1 4.07Å; A134-F138 HydrophobicContact CB-CE1 3.2Å; A134-F138 HydrophobicContact CB-CE2 4.34Å; A134-F138 HydrophobicContact CB-CZ 3.36Å |
| 135 | E | 96.2 | Very high | 96 | Very high | 177 Ų | 177 | 61.1 Ų | 61.1 | 83% | 0.827 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.8 | -179 | -60.2 | -179.2 | -166 | 0 | 0 | 113.3 | C131 T132 S137 | C131-E135 PolarHBondContact O-N 2.74Å; T132-E135 PolarHBondContact O-N 3.03Å; E135-S137 PolarHBondContact O-N 2.86Å; E135-S137 VanDerWaalsContact O-N 3.16Å |
| 136 | F | 94.9 | Very high | 96.1 | Very high | 125 Ų | 125 | 61.8 Ų | 61.8 | 55% | 0.548 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 25.6 | -178 | -54.1 | -81.2 | 0 | 0 | 0 | 114.9 | C131 T132 A134 F138 | C131-F136 HydrophobicContact CB-CD1 4.22Å; C131-F136 HydrophobicContact CB-CE1 4.46Å; C131-F136 WeakPolarHBondContact O-CA 3.11Å; C131-F136 PolarHBondContact O-N 2.64Å; T132-F136 HydrophobicContact CG2-CZ 4.5Å; A134-F136 PolarHBondContact O-N 3.4Å; A134-F136 VanDerWaalsContact O-N 3.11Å; F136-F138 PolarHBondContact O-N 3.01Å; F136-F138 VanDerWaalsContact O-N 3.11Å |
| 137 | S | 94.9 | Very high | 96.1 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -61.5 | -15.1 | 172.9 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | A134 E135 | A134-S137 VanDerWaalsContact O-CB 3.28Å; A134-S137 WeakPolarHBondContact O-CB 3.25Å; A134-S137 PolarHBondContact O-N 3.47Å; A134-S137 PolarHBondContact O-OG 3.28Å; E135-S137 PolarHBondContact O-N 2.86Å; E135-S137 VanDerWaalsContact O-N 3.16Å |
| 138 | F | 95.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -142.7 | 160.2 | 169.4 | 51.8 | -97.4 | 0 | 0 | 0 | 110 | F106 C107 A110 C131 A134 F136 D142 L143 | F106-F138 HydrophobicContact CB-CE1 4.33Å; C107-F138 HydrophobicContact CB-CB 4.19Å; C107-F138 HydrophobicContact CB-CD1 3.62Å; C107-F138 HydrophobicContact CB-CD2 4.48Å; C107-F138 HydrophobicContact CB-CE1 4.07Å; C107-F138 HydrophobicContact CB-CG 3.84Å; A110-F138 HydrophobicContact CB-CE1 4.35Å; A110-F138 HydrophobicContact CB-CE2 4.07Å; A110-F138 HydrophobicContact CB-CZ 3.54Å; C131-F138 HydrophobicContact CB-CE2 4.44Å; A134-F138 HydrophobicContact CB-CD1 4.07Å; A134-F138 HydrophobicContact CB-CE1 3.2Å; A134-F138 HydrophobicContact CB-CE2 4.34Å; A134-F138 HydrophobicContact CB-CZ 3.36Å; F136-F138 PolarHBondContact O-N 3.01Å; F136-F138 VanDerWaalsContact O-N 3.11Å; F138-D142 HydrophobicContact CB-CB 4.22Å; F138-L143 HydrophobicContact CD2-CB 4.37Å; F138-L143 HydrophobicContact CE2-CB 4.45Å; F138-L143 HydrophobicContact CE2-CD1 4.32Å; F138-L143 HydrophobicContact CE2-CD2 4.37Å |
| 139 | Q | 96.2 | Very high | 96.2 | Very high | 99 Ų | 99 | 62.8 Ų | 62.8 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | trans | -97.5 | 161.1 | -179.9 | -61.2 | -62.4 | -57.2 | 0 | 0 | 111.7 | S141 D142 L143 | Q139-S141 PolarHBondContact O-N 3.44Å; Q139-S141 VanDerWaalsContact O-N 3.11Å; Q139-D142 WeakPolarHBondContact CB-OD2 3.4Å; Q139-D142 PolarHBondContact N-OD2 3.05Å; Q139-D142 WeakPolarHBondContact O-CB 3.46Å; Q139-D142 PolarHBondContact O-N 3.01Å; Q139-L143 PolarHBondContact O-N 3.01Å; Q139-L143 VanDerWaalsContact O-N 3.11Å | ||
| 140 | P | 96.5 | Very high | 96.2 | Very high | 30 Ų | 30 | 61 Ų | 61 | 20% | 0.195 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.1 | -28.1 | 175.5 | -27.3 | 35.1 | 0 | 0 | 0 | 113.9 | A127 D128 R144 | A127-P140 HydrophobicContact CB-CB 4.37Å; D128-P140 WeakPolarHBondContact OD1-CG 3.27Å; P140-R144 VanDerWaalsContact O-CG 3.26Å; P140-R144 WeakPolarHBondContact O-CG 3.45Å; P140-R144 PolarHBondContact O-N 3.42Å; P140-R144 VanDerWaalsContact O-N 3.1Å |
| 141 | S | 96.3 | Very high | 96.2 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 173.3 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | Q139 L143 R144 E145 | Q139-S141 PolarHBondContact O-N 3.44Å; Q139-S141 VanDerWaalsContact O-N 3.11Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-R144 PolarHBondContact O-N 2.86Å; S141-E145 PolarHBondContact O-N 3.28Å |
| 142 | D | 95.6 | Very high | 96.2 | Very high | 79 Ų | 79 | 65 Ų | 65 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 179.8 | -53.1 | -34.7 | 0 | 0 | 0 | 109.7 | F138 Q139 E145 M146 | F138-D142 HydrophobicContact CB-CB 4.22Å; Q139-D142 WeakPolarHBondContact CB-OD2 3.4Å; Q139-D142 PolarHBondContact N-OD2 3.05Å; Q139-D142 WeakPolarHBondContact O-CB 3.46Å; Q139-D142 PolarHBondContact O-N 3.01Å; D142-E145 PolarHBondContact O-N 2.8Å; D142-M146 WeakPolarHBondContact O-CB 3.45Å; D142-M146 PolarHBondContact O-N 3.24Å |
| 143 | L | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.4 | -173.9 | 60.9 | 0 | 0 | 0 | 112.5 | A110 G111 L114 A127 L130 F138 Q139 S141 E145 M146 E147 | A110-L143 HydrophobicContact CB-CD1 3.55Å; G111-L143 VanDerWaalsContact N-CD1 3.29Å; L114-L143 HydrophobicContact CD2-CD2 4.27Å; L114-L143 HydrophobicContact CD2-CG 4.15Å; A127-L143 HydrophobicContact CB-CD2 3.85Å; L130-L143 HydrophobicContact CB-CD2 3.87Å; L130-L143 HydrophobicContact CD1-CD2 3.84Å; F138-L143 HydrophobicContact CD2-CB 4.37Å; F138-L143 HydrophobicContact CE2-CB 4.45Å; F138-L143 HydrophobicContact CE2-CD1 4.32Å; F138-L143 HydrophobicContact CE2-CD2 4.37Å; Q139-L143 PolarHBondContact O-N 3.01Å; Q139-L143 VanDerWaalsContact O-N 3.11Å; S141-L143 VanDerWaalsContact C-N 3.32Å; L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 3.17Å; L143-M146 PolarHBondContact O-N 3.44Å; L143-E147 PolarHBondContact O-N 3.06Å |
| 144 | R | 95.9 | Very high | 96 | Very high | 139 Ų | 139 | 61 Ų | 61 | 53% | 0.525 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 174.8 | -72.9 | 169.6 | -175.3 | 171.3 | 3.9 | 112.2 | P140 S141 R148 | P140-R144 VanDerWaalsContact O-CG 3.26Å; P140-R144 WeakPolarHBondContact O-CG 3.45Å; P140-R144 PolarHBondContact O-N 3.42Å; P140-R144 VanDerWaalsContact O-N 3.1Å; S141-R144 PolarHBondContact O-N 2.86Å; R144-R148 WeakPolarHBondContact O-CG 3.33Å; R144-R148 PolarHBondContact O-N 2.95Å |
| 145 | E | 96.3 | Very high | 96.1 | Very high | 99 Ų | 99 | 70.9 Ų | 70.9 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72 | -42.1 | 175.6 | -168.7 | 56.6 | -157.1 | 0 | 0 | 111.4 | S141 D142 L143 E147 R148 V149 | S141-E145 PolarHBondContact O-N 3.28Å; D142-E145 PolarHBondContact O-N 2.8Å; L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 3.17Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.01Å; E145-R148 WeakPolarHBondContact O-CB 3.42Å; E145-R148 PolarHBondContact O-N 3.27Å; E145-R148 VanDerWaalsContact O-N 3.12Å; E145-R148 IonicContact OE2-CZ 3.85Å; E145-R148 IonicContact OE2-NH1 2.95Å; E145-R148 PolarHBondContact OE2-NH1 2.8Å; E145-V149 WeakPolarHBondContact O-CG2 3.25Å; E145-V149 PolarHBondContact O-N 3.46Å |
| 146 | M | 96.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 174.2 | -174.2 | 58.2 | 70.1 | 0 | 0 | 111.8 | P102 C107 L108 D142 L143 R148 V149 V150 | P102-M146 HydrophobicContact CB-CE 4.28Å; C107-M146 WeakPolarHBondContact O-CG 3.33Å; L108-M146 HydrophobicContact CB-CE 4.3Å; L108-M146 HydrophobicContact CB-SD 4.09Å; L108-M146 HydrophobicContact CD1-SD 3.88Å; D142-M146 WeakPolarHBondContact O-CB 3.45Å; D142-M146 PolarHBondContact O-N 3.24Å; L143-M146 PolarHBondContact O-N 3.44Å; M146-R148 VanDerWaalsContact C-N 3.34Å; M146-R148 PolarHBondContact O-N 3.4Å; M146-V149 PolarHBondContact O-N 2.86Å; M146-V150 HydrophobicContact CG-CG2 4.4Å; M146-V150 WeakPolarHBondContact O-CG2 3.27Å; M146-V150 PolarHBondContact O-N 3.43Å; M146-V150 HydrophobicContact SD-CG2 4.24Å |
| 147 | E | 97 | Very high | 96.2 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.3 | -48.6 | 173.1 | 169 | 173.1 | -122.2 | 0 | 0 | 111.8 | I115 K118 L143 E145 V149 V150 L151 | I115-E147 HydrophobicContact CD1-CG 4.23Å; I115-E147 HydrophobicContact CG1-CG 3.9Å; K118-E147 VanDerWaalsContact NZ-CD 3.26Å; K118-E147 IonicContact NZ-OE1 3.46Å; K118-E147 PolarHBondContact NZ-OE1 2.95Å; K118-E147 IonicContact NZ-OE2 2.85Å; K118-E147 PolarHBondContact NZ-OE2 3.28Å; K118-E147 VanDerWaalsContact NZ-OE2 3.11Å; L143-E147 PolarHBondContact O-N 3.06Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.01Å; E147-V149 VanDerWaalsContact C-N 3.34Å; E147-V149 PolarHBondContact O-N 3.21Å; E147-V150 PolarHBondContact O-N 2.76Å; E147-L151 HydrophobicContact CG-CD1 3.87Å; E147-L151 WeakPolarHBondContact O-CB 3.26Å; E147-L151 WeakPolarHBondContact O-CG 3.2Å; E147-L151 PolarHBondContact O-N 3.46Å |
| 148 | R | 96.8 | Very high | 96.2 | Very high | 141 Ų | 141 | 64.2 Ų | 64.2 | 53% | 0.532 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.9 | -66.9 | 179.2 | -168.9 | 107.3 | 9.4 | 111.9 | R144 E145 M146 L151 A152 | R144-R148 WeakPolarHBondContact O-CG 3.33Å; R144-R148 PolarHBondContact O-N 2.95Å; E145-R148 WeakPolarHBondContact O-CB 3.42Å; E145-R148 PolarHBondContact O-N 3.27Å; E145-R148 VanDerWaalsContact O-N 3.12Å; E145-R148 IonicContact OE2-CZ 3.85Å; E145-R148 IonicContact OE2-NH1 2.95Å; E145-R148 PolarHBondContact OE2-NH1 2.8Å; M146-R148 VanDerWaalsContact C-N 3.34Å; M146-R148 PolarHBondContact O-N 3.4Å; R148-L151 PolarHBondContact O-N 3.06Å; R148-A152 WeakPolarHBondContact O-CB 3.39Å; R148-A152 PolarHBondContact O-N 2.87Å |
| 149 | V | 95.9 | Very high | 96.1 | Very high | 44 Ų | 44 | 67 Ų | 67 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 179.3 | 166.1 | 0 | 0 | 0 | 0 | 110.6 | Y94 E145 M146 E147 A152 A153 | Y94-V149 HydrophobicContact CE2-CG1 3.65Å; E145-V149 WeakPolarHBondContact O-CG2 3.25Å; E145-V149 PolarHBondContact O-N 3.46Å; M146-V149 PolarHBondContact O-N 2.86Å; E147-V149 VanDerWaalsContact C-N 3.34Å; E147-V149 PolarHBondContact O-N 3.21Å; V149-A152 PolarHBondContact O-N 3.38Å; V149-A153 WeakPolarHBondContact O-CB 3.32Å; V149-A153 PolarHBondContact O-N 3.19Å |
| 150 | V | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | Y94 L108 I115 M146 E147 A152 A153 L154 | Y94-V150 HydrophobicContact CD2-CB 4.39Å; Y94-V150 HydrophobicContact CD2-CG2 3.94Å; Y94-V150 HydrophobicContact CE2-CG2 4.28Å; Y94-V150 HydrophobicContact CG-CG2 4.38Å; L108-V150 HydrophobicContact CD1-CG2 3.49Å; L108-V150 VanDerWaalsContact CD1-CG2 3.49Å; I115-V150 HydrophobicContact CD1-CB 3.76Å; I115-V150 HydrophobicContact CD1-CG1 3.56Å; M146-V150 HydrophobicContact CG-CG2 4.4Å; M146-V150 WeakPolarHBondContact O-CG2 3.27Å; M146-V150 PolarHBondContact O-N 3.43Å; M146-V150 HydrophobicContact SD-CG2 4.24Å; E147-V150 PolarHBondContact O-N 2.76Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 3.47Å; V150-A153 VanDerWaalsContact O-CB 3.32Å; V150-A153 WeakPolarHBondContact O-CB 3.32Å; V150-A153 PolarHBondContact O-N 3.02Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 WeakPolarHBondContact O-CG 3.17Å; V150-L154 PolarHBondContact O-N 3.45Å |
| 151 | L | 97.6 | Very high | 96 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 179.4 | -70.9 | 170.1 | 0 | 0 | 0 | 112.2 | I115 E147 R148 L154 R155 W156 | I115-L151 HydrophobicContact CD1-CD2 4.12Å; I115-L151 HydrophobicContact CD1-CG 3.88Å; I115-L151 HydrophobicContact CG1-CD2 4.36Å; I115-L151 HydrophobicContact CG1-CG 4.29Å; I115-L151 HydrophobicContact CG2-CD2 4.06Å; E147-L151 HydrophobicContact CG-CD1 3.87Å; E147-L151 WeakPolarHBondContact O-CB 3.26Å; E147-L151 WeakPolarHBondContact O-CG 3.2Å; E147-L151 PolarHBondContact O-N 3.46Å; R148-L151 PolarHBondContact O-N 3.06Å; L151-L154 PolarHBondContact O-N 3.26Å; L151-R155 PolarHBondContact O-N 2.97Å; L151-W156 HydrophobicContact CB-CD2 4.4Å; L151-W156 HydrophobicContact CD1-CE3 4.33Å; L151-W156 HydrophobicContact CD1-CH2 4.12Å; L151-W156 HydrophobicContact CD1-CZ3 3.91Å; L151-W156 HydrophobicContact CD2-CE3 4.28Å; L151-W156 PolarHBondContact O-N 3.48Å |
| 152 | A | 96.6 | Very high | 96 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R148 V149 V150 L154 R155 | R148-A152 WeakPolarHBondContact O-CB 3.39Å; R148-A152 PolarHBondContact O-N 2.87Å; V149-A152 PolarHBondContact O-N 3.38Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 3.47Å; A152-L154 VanDerWaalsContact C-N 3.31Å; A152-L154 PolarHBondContact O-N 2.97Å; A152-R155 PolarHBondContact O-N 3.4Å; A152-R155 VanDerWaalsContact O-N 3.1Å |
| 153 | A | 94.5 | Very high | 96.1 | Very high | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.4 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y94 Y98 V149 V150 R155 | Y94-A153 HydrophobicContact CD2-CB 3.68Å; Y94-A153 HydrophobicContact CE2-CB 4.05Å; Y98-A153 HydrophobicContact CD2-CB 4.24Å; Y98-A153 HydrophobicContact CE2-CB 3.28Å; V149-A153 WeakPolarHBondContact O-CB 3.32Å; V149-A153 PolarHBondContact O-N 3.19Å; V150-A153 VanDerWaalsContact O-CB 3.32Å; V150-A153 WeakPolarHBondContact O-CB 3.32Å; V150-A153 PolarHBondContact O-N 3.02Å; A153-R155 PolarHBondContact O-N 3.09Å |
| 154 | L | 95.2 | Very high | 96 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 2 | -177.8 | -58.7 | -179.2 | 0 | 0 | 0 | 112.3 | L90 R93 V150 L151 A152 W156 D157 | L90-L154 HydrophobicContact CB-CD1 4.41Å; L90-L154 HydrophobicContact CD2-CD1 3.37Å; R93-L154 HydrophobicContact CB-CD2 3.67Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 WeakPolarHBondContact O-CG 3.17Å; V150-L154 PolarHBondContact O-N 3.45Å; L151-L154 PolarHBondContact O-N 3.26Å; A152-L154 VanDerWaalsContact C-N 3.31Å; A152-L154 PolarHBondContact O-N 2.97Å; L154-W156 PolarHBondContact O-N 3.01Å; L154-D157 WeakPolarHBondContact O-CB 3.29Å; L154-D157 PolarHBondContact O-N 3.37Å |
| 155 | R | 95.9 | Very high | 95.9 | Very high | 220 Ų | 220 | 51.9 Ų | 51.9 | 83% | 0.83 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 40.5 | -176.3 | -53.8 | -178.4 | 177.9 | -149.8 | -1 | 112.2 | L151 A152 A153 D157 | L151-R155 PolarHBondContact O-N 2.97Å; A152-R155 PolarHBondContact O-N 3.4Å; A152-R155 VanDerWaalsContact O-N 3.1Å; A153-R155 PolarHBondContact O-N 3.09Å; R155-D157 PolarHBondContact O-N 3.46Å |
| 156 | W | 96.6 | Very high | 95.9 | Very high | 193 Ų | 193 | 47.2 Ų | 47.2 | 73% | 0.731 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 11.7 | -176.7 | -58.8 | 79.6 | 0 | 0 | 0 | 115.2 | L151 L154 S158 | L151-W156 HydrophobicContact CB-CD2 4.4Å; L151-W156 HydrophobicContact CD1-CE3 4.33Å; L151-W156 HydrophobicContact CD1-CH2 4.12Å; L151-W156 HydrophobicContact CD1-CZ3 3.91Å; L151-W156 HydrophobicContact CD2-CE3 4.28Å; L151-W156 PolarHBondContact O-N 3.48Å; L154-W156 PolarHBondContact O-N 3.01Å; W156-S158 PolarHBondContact O-N 3.27Å |
| 157 | D | 96.2 | Very high | 95.8 | Very high | 35 Ų | 35 | 46 Ų | 46 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | trans | -80.7 | 66.6 | 173.1 | -168.7 | 13.3 | 0 | 0 | 0 | 110.3 | R45 Y46 R93 L154 R155 | R45-D157 IonicContact CZ-OD2 3.84Å; R45-D157 VanDerWaalsContact CZ-OD2 3.23Å; R45-D157 IonicContact NE-OD2 3.82Å; R45-D157 PolarHBondContact NE-OD2 3.48Å; R45-D157 IonicContact NH2-OD1 3.23Å; R45-D157 IonicContact NH2-OD2 3.87Å; R45-D157 PolarHBondContact NH2-OD2 3.12Å; Y46-D157 PolarHBondContact OH-OD1 3.49Å; R93-D157 PolarHBondContact NH1-O 2.92Å; R93-D157 PolarHBondContact NH2-O 3.15Å; R93-D157 IonicContact NH2-OD2 2.98Å; L154-D157 WeakPolarHBondContact O-CB 3.29Å; L154-D157 PolarHBondContact O-N 3.37Å; R155-D157 PolarHBondContact O-N 3.46Å | ||
| 158 | S | 95.1 | Very high | 95.5 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | trans | -94.8 | -17.7 | -170.6 | 54 | 0 | 0 | 0 | 0 | 114.8 | L86 L119 W156 A160 | L86-S158 WeakPolarHBondContact CD1-O 3.48Å; L119-S158 WeakPolarHBondContact CD1-OG 3.33Å; W156-S158 PolarHBondContact O-N 3.27Å; S158-A160 PolarHBondContact O-N 3.21Å; S158-A160 VanDerWaalsContact O-N 3.11Å | ||
| 159 | A | 93.9 | Very high | 95.2 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 54% | 0.537 | 21% | 0.205 | S | C | . | . | trans | -87.4 | 72.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y46 | Y46-A159 PolarHBondContact OH-O 3Š| ||
| 160 | A | 94.8 | Very high | 95 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | trans | -73.1 | 149.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y46 L86 S89 S158 | Y46-A160 HydrophobicContact CD1-CB 3.77Å; Y46-A160 HydrophobicContact CD2-CB 4.15Å; Y46-A160 HydrophobicContact CE1-CB 4.31Å; Y46-A160 HydrophobicContact CG-CB 3.68Å; L86-A160 HydrophobicContact CD1-CB 3.94Å; S89-A160 WeakPolarHBondContact OG-CB 3.48Å; S158-A160 PolarHBondContact O-N 3.21Å; S158-A160 VanDerWaalsContact O-N 3.11Å | ||
| 161 | V | 95.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | trans | -72.7 | 132.4 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | L39 L42 E43 Y46 D165 F166 P208 | L39-V161 HydrophobicContact CB-CG1 4.42Å; L39-V161 HydrophobicContact CD2-CG1 4.2Å; L39-V161 HydrophobicContact CD2-CG2 4.1Å; L42-V161 HydrophobicContact CB-CG2 3.75Å; L42-V161 HydrophobicContact CD1-CG2 4.5Å; E43-V161 HydrophobicContact CB-CB 4.36Å; E43-V161 HydrophobicContact CB-CG1 4.24Å; Y46-V161 HydrophobicContact CD2-CB 4.22Å; Y46-V161 HydrophobicContact CD2-CG2 4.2Å; Y46-V161 HydrophobicContact CE2-CB 4.48Å; Y46-V161 HydrophobicContact CE2-CG2 3.99Å; V161-D165 WeakPolarHBondContact CA-OD2 3.33Å; V161-D165 HydrophobicContact CG1-CB 4.4Å; V161-F166 HydrophobicContact CG1-CD2 4.14Å; V161-F166 HydrophobicContact CG1-CE2 3.42Å; V161-F166 VanDerWaalsContact CG1-CE2 3.42Å; V161-F166 HydrophobicContact CG1-CZ 4.11Å; V161-P208 HydrophobicContact CG1-CB 4.48Å; V161-P208 WeakPolarHBondContact O-CG 3.43Å | ||
| 162 | T | 96.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -119.9 | 163.8 | -178.3 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | P85 L86 Q164 D165 | P85-T162 HydrophobicContact CB-CG2 4.17Å; L86-T162 HydrophobicContact CB-CG2 4.01Å; L86-T162 HydrophobicContact CD1-CG2 4.29Å; T162-Q164 PolarHBondContact O-N 2.87Å; T162-D165 PolarHBondContact N-OD2 3.39Å; T162-D165 WeakPolarHBondContact O-CB 3.47Å; T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 PolarHBondContact OG1-OD2 3.22Å | ||
| 163 | P | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.3 | -33.3 | 173.4 | -27 | 36.2 | 0 | 0 | 0 | 113.2 | D165 F166 L167 A194 P208 I211 A212 | P163-D165 PolarHBondContact O-N 2.98Å; P163-F166 PolarHBondContact O-N 3.11Å; P163-L167 WeakPolarHBondContact O-CG 3.35Å; P163-L167 PolarHBondContact O-N 3.24Å; P163-L167 VanDerWaalsContact O-N 3.16Å; P163-A194 HydrophobicContact CB-CB 4Å; P163-A194 HydrophobicContact CG-CB 4.49Å; P163-P208 HydrophobicContact CG-CB 4.3Å; P163-I211 HydrophobicContact CB-CG2 4.2Å; P163-I211 HydrophobicContact CG-CB 4.04Å; P163-I211 HydrophobicContact CG-CG2 3.79Å; P163-A212 HydrophobicContact CB-CB 4Å; P163-A212 WeakPolarHBondContact O-CB 3.29Å |
| 164 | Q | 95.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -26.3 | -178.2 | -75.1 | 69.2 | 15.6 | 0 | 0 | 112.6 | E81 A82 P85 T162 F166 P168 | E81-Q164 HydrophobicContact CB-CG 4.37Å; E81-Q164 WeakPolarHBondContact O-CG 3.3Å; E81-Q164 PolarHBondContact O-NE2 3.03Å; A82-Q164 HydrophobicContact CB-CB 4.18Å; A82-Q164 HydrophobicContact CB-CG 4.48Å; P85-Q164 VanDerWaalsContact CG-CD 3.45Å; T162-Q164 PolarHBondContact O-N 2.87Å; Q164-F166 VanDerWaalsContact C-N 3.32Å; Q164-P168 WeakPolarHBondContact O-CD 3.24Å |
| 165 | D | 94.5 | Very high | 91 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.5 | -30.1 | 174.5 | -60.1 | -53.8 | 0 | 0 | 0 | 111.8 | L39 V161 T162 P163 H169 | L39-D165 HydrophobicContact CD1-CB 4.17Å; L39-D165 HydrophobicContact CD2-CB 4.2Å; V161-D165 WeakPolarHBondContact CA-OD2 3.33Å; V161-D165 HydrophobicContact CG1-CB 4.4Å; T162-D165 PolarHBondContact N-OD2 3.39Å; T162-D165 WeakPolarHBondContact O-CB 3.47Å; T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 PolarHBondContact OG1-OD2 3.22Å; P163-D165 PolarHBondContact O-N 2.98Å; D165-H169 PolarHBondContact O-CD2 3.04Å |
| 166 | F | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -86.5 | -37.5 | -179 | -74.1 | -82 | 0 | 0 | 0 | 113.5 | I36 L39 L40 V161 P163 Q164 P168 H169 F170 P208 A212 | I36-F166 HydrophobicContact CG2-CE1 4.44Å; L39-F166 HydrophobicContact CB-CD1 4.18Å; L39-F166 HydrophobicContact CB-CE1 3.41Å; L39-F166 VanDerWaalsContact CB-CE1 3.41Å; L39-F166 HydrophobicContact CB-CE2 4.11Å; L39-F166 HydrophobicContact CB-CZ 3.38Å; L39-F166 HydrophobicContact CD1-CD1 4.07Å; L39-F166 HydrophobicContact CD1-CE1 4.15Å; L39-F166 HydrophobicContact CD1-CG 4.37Å; L39-F166 HydrophobicContact CG-CE1 4.44Å; L40-F166 HydrophobicContact CD2-CE1 3.84Å; L40-F166 HydrophobicContact CD2-CZ 4.03Å; L40-F166 HydrophobicContact CG-CE1 4.05Å; L40-F166 HydrophobicContact CG-CZ 4.43Å; V161-F166 HydrophobicContact CG1-CD2 4.14Å; V161-F166 HydrophobicContact CG1-CE2 3.42Å; V161-F166 VanDerWaalsContact CG1-CE2 3.42Å; V161-F166 HydrophobicContact CG1-CZ 4.11Å; P163-F166 PolarHBondContact O-N 3.11Å; Q164-F166 VanDerWaalsContact C-N 3.32Å; F166-P168 VanDerWaalsContact C-CD 3.46Å; F166-H169 WeakPolarHBondContact O-CB 3.39Å; F166-H169 PolarHBondContact O-N 3.18Å; F166-F170 HydrophobicContact CB-CD2 4.2Å; F166-F170 HydrophobicContact CB-CE1 4.37Å; F166-F170 HydrophobicContact CB-CE2 3.74Å; F166-F170 HydrophobicContact CB-CZ 3.84Å; F166-F170 HydrophobicContact CD1-CE1 4Å; F166-F170 HydrophobicContact CD1-CE2 4.41Å; F166-F170 AromaticContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CG-CE2 4.36Å; F166-F170 HydrophobicContact CG-CZ 4.06Å; F166-F170 PolarHBondContact O-N 3.39Å; F166-P208 HydrophobicContact CD2-CB 4.34Å; F166-P208 HydrophobicContact CE2-CB 4.05Å; F166-A212 HydrophobicContact CB-CB 3.69Å |
| 167 | L | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -50.1 | -48.4 | -173.6 | -75.6 | 174.5 | 0 | 0 | 0 | 114.9 | P163 H169 F170 L171 D191 A212 L216 | P163-L167 WeakPolarHBondContact O-CG 3.35Å; P163-L167 PolarHBondContact O-N 3.24Å; P163-L167 VanDerWaalsContact O-N 3.16Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-N 2.93Å; L167-F170 PolarHBondContact O-N 3.42Å; L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.11Å; L167-D191 WeakPolarHBondContact CD1-OD1 3.21Å; L167-A212 HydrophobicContact CD2-CB 4.07Å; L167-A212 HydrophobicContact CG-CB 4.14Å; L167-L216 HydrophobicContact CD2-CB 4.16Å |
| 168 | P | 90.8 | Very high | 85.1 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 13% | 0.13 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -30.4 | -179.1 | 22.6 | -25.3 | 0 | 0 | 0 | 112.2 | W26 Q164 F166 S172 | W26-P168 HydrophobicContact CE3-CB 4.28Å; W26-P168 HydrophobicContact CH2-CB 3.42Å; W26-P168 VanDerWaalsContact CH2-CB 3.42Å; W26-P168 HydrophobicContact CH2-CG 3.55Å; W26-P168 HydrophobicContact CZ2-CB 4.11Å; W26-P168 HydrophobicContact CZ3-CB 3.52Å; W26-P168 HydrophobicContact CZ3-CG 3.58Å; Q164-P168 WeakPolarHBondContact O-CD 3.24Å; F166-P168 VanDerWaalsContact C-CD 3.46Å; P168-S172 WeakPolarHBondContact O-CB 3.42Å; P168-S172 PolarHBondContact O-N 2.64Å; P168-S172 PolarHBondContact O-OG 3.44Å |
| 169 | H | 90.6 | Very high | 83.7 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.06 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.6 | -39.9 | 175.4 | -59.9 | -52.7 | 0 | 0 | 0 | 112.4 | W26 V30 V35 I36 D165 F166 L167 S172 S173 | W26-H169 AromaticContact CH2-CE1 3.37Å; W26-H169 WeakPolarHBondContact CH2-CE1 3.47Å; W26-H169 AromaticContact CH2-ND1 3.58Å; W26-H169 AromaticContact CZ2-CE1 3.6Å; W26-H169 AromaticContact CZ2-ND1 3.51Å; V30-H169 PolarHBondContact O-CE1 3.26Å; V35-H169 VanDerWaalsContact CG1-NE2 3.34Å; V35-H169 WeakPolarHBondContact CG1-NE2 3.34Å; I36-H169 HydrophobicContact CD1-CB 3.85Å; I36-H169 HydrophobicContact CG1-CB 3.65Å; D165-H169 PolarHBondContact O-CD2 3.04Å; F166-H169 WeakPolarHBondContact O-CB 3.39Å; F166-H169 PolarHBondContact O-N 3.18Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-N 2.93Å; H169-S172 WeakPolarHBondContact CA-OG 3.4Å; H169-S172 PolarHBondContact O-OG 3.05Å; H169-S173 PolarHBondContact O-N 3.32Å; H169-S173 VanDerWaalsContact O-N 3.15Å; H169-S173 PolarHBondContact O-OG 2.66Å |
| 170 | F | 91.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 174.8 | -64.8 | -13.8 | 0 | 0 | 0 | 111.1 | I36 F166 L167 S172 S173 M174 A212 A213 L216 L238 L241 C242 | I36-F170 HydrophobicContact CD1-CD1 4.04Å; I36-F170 HydrophobicContact CD1-CE1 4.09Å; I36-F170 HydrophobicContact CG1-CE1 4.4Å; I36-F170 HydrophobicContact CG2-CE1 4.1Å; F166-F170 HydrophobicContact CB-CD2 4.2Å; F166-F170 HydrophobicContact CB-CE1 4.37Å; F166-F170 HydrophobicContact CB-CE2 3.74Å; F166-F170 HydrophobicContact CB-CZ 3.84Å; F166-F170 HydrophobicContact CD1-CE1 4Å; F166-F170 HydrophobicContact CD1-CE2 4.41Å; F166-F170 AromaticContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CG-CE2 4.36Å; F166-F170 HydrophobicContact CG-CZ 4.06Å; F166-F170 PolarHBondContact O-N 3.39Å; L167-F170 PolarHBondContact O-N 3.42Å; F170-S172 PolarHBondContact O-N 2.86Å; F170-S173 PolarHBondContact O-N 3.19Å; F170-M174 WeakPolarHBondContact O-CG 3.38Å; F170-M174 PolarHBondContact O-N 2.99Å; F170-A212 HydrophobicContact CD2-CB 4.19Å; F170-A212 HydrophobicContact CE2-CB 3.85Å; F170-A213 HydrophobicContact CD2-CB 4.37Å; F170-A213 HydrophobicContact CE2-CB 3.87Å; F170-L216 HydrophobicContact CB-CD2 3.66Å; F170-L238 HydrophobicContact CB-CD2 3.91Å; F170-L238 HydrophobicContact CD2-CD2 4.16Å; F170-L238 HydrophobicContact CG-CD2 4.08Å; F170-L241 HydrophobicContact CD1-CB 4.07Å; F170-L241 HydrophobicContact CD1-CD1 4.1Å; F170-L241 HydrophobicContact CE1-CB 3.82Å; F170-C242 HydrophobicContact CZ-CB 4.08Å |
| 171 | L | 89.3 | Confident | 82.3 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 175.7 | -72.3 | 167 | 0 | 0 | 0 | 112.2 | L167 S173 M174 E175 V183 L186 R187 L216 | L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.11Å; L171-S173 PolarHBondContact O-N 3.38Å; L171-M174 CarbonylContact O-C 3.5Å; L171-M174 WeakPolarHBondContact O-CA 3.49Å; L171-M174 WeakPolarHBondContact O-CB 3.49Å; L171-M174 PolarHBondContact O-N 3.26Å; L171-E175 WeakPolarHBondContact O-CG 3.34Å; L171-E175 PolarHBondContact O-N 3.06Å; L171-V183 HydrophobicContact CB-CG1 4.31Å; L171-V183 HydrophobicContact CD1-CG1 4.36Å; L171-V183 HydrophobicContact CD2-CG1 4.36Å; L171-L186 HydrophobicContact CD2-CB 3.91Å; L171-L186 HydrophobicContact CD2-CD1 4.33Å; L171-R187 HydrophobicContact CD1-CB 3.69Å; L171-R187 HydrophobicContact CD1-CG 4.27Å; L171-L216 HydrophobicContact CD2-CD1 3.58Å; L171-L216 HydrophobicContact CD2-CD2 4.11Å; L171-L216 HydrophobicContact CG-CD1 4.35Å; L171-L216 HydrophobicContact CG-CD2 4.19Å |
| 172 | S | 85.8 | Confident | 81.7 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -32 | 178.1 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | P168 H169 F170 M174 E175 | P168-S172 WeakPolarHBondContact O-CB 3.42Å; P168-S172 PolarHBondContact O-N 2.64Å; P168-S172 PolarHBondContact O-OG 3.44Å; H169-S172 WeakPolarHBondContact CA-OG 3.4Å; H169-S172 PolarHBondContact O-OG 3.05Å; F170-S172 PolarHBondContact O-N 2.86Å; S172-M174 PolarHBondContact O-N 3.16Å; S172-E175 PolarHBondContact O-N 3.39Å |
| 173 | S | 81.8 | Confident | 81.1 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -10.9 | 175.9 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | H169 F170 L171 | H169-S173 PolarHBondContact O-N 3.32Å; H169-S173 VanDerWaalsContact O-N 3.15Å; H169-S173 PolarHBondContact O-OG 2.66Å; F170-S173 PolarHBondContact O-N 3.19Å; L171-S173 PolarHBondContact O-N 3.38Å |
| 174 | M | 75.3 | Confident | 80.7 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -17.1 | -179 | -55.9 | 169.4 | 81 | 0 | 0 | 112 | F170 L171 S172 E176 Q177 L216 L220 M234 L238 | F170-M174 WeakPolarHBondContact O-CG 3.38Å; F170-M174 PolarHBondContact O-N 2.99Å; L171-M174 CarbonylContact O-C 3.5Å; L171-M174 WeakPolarHBondContact O-CA 3.49Å; L171-M174 WeakPolarHBondContact O-CB 3.49Å; L171-M174 PolarHBondContact O-N 3.26Å; S172-M174 PolarHBondContact O-N 3.16Å; M174-E176 PolarHBondContact O-N 3.4Å; M174-Q177 PolarHBondContact O-N 3.1Å; M174-L216 HydrophobicContact SD-CD2 3.75Å; M174-L216 HydrophobicContact SD-CG 4.4Å; M174-L220 HydrophobicContact CE-CD1 3.23Å; M174-L220 HydrophobicContact CE-CD2 4.21Å; M174-L220 HydrophobicContact CE-CG 4.32Å; M174-L220 HydrophobicContact SD-CD1 4.39Å; M174-M234 HydrophobicContact CE-CB 3.89Å; M174-M234 HydrophobicContact CE-CE 3.11Å; M174-M234 HydrophobicContact CE-CG 4.09Å; M174-M234 HydrophobicContact CE-SD 4.45Å; M174-L238 HydrophobicContact CE-CD1 4.4Å; M174-L238 HydrophobicContact SD-CD2 3.99Å; M174-L238 HydrophobicContact SD-CG 4.39Å |
| 175 | E | 65.3 | Low | 80.4 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -64.8 | -16.8 | 178.2 | -87.4 | 179.5 | 169.1 | 0 | 0 | 114.2 | L171 S172 Q177 G178 V183 | L171-E175 WeakPolarHBondContact O-CG 3.34Å; L171-E175 PolarHBondContact O-N 3.06Å; S172-E175 PolarHBondContact O-N 3.39Å; E175-Q177 PolarHBondContact O-N 3.4Å; E175-G178 PolarHBondContact O-N 3.39Å; E175-V183 HydrophobicContact CG-CG1 4.43Å; E175-V183 HydrophobicContact CG-CG2 3.8Å; E175-V183 WeakPolarHBondContact OE1-CG1 3.24Å |
| 176 | E | 55.6 | Low | 80.3 | Confident | 185 Ų | 185 | 58 Ų | 58 | 86% | 0.864 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -56.4 | -3.7 | 167.6 | -64.8 | -170.6 | 169.2 | 0 | 0 | 112.5 | M174 | M174-E176 PolarHBondContact O-N 3.4Š|
| 177 | Q | 51.5 | Low | 80.1 | Confident | 119 Ų | 119 | 61.6 Ų | 61.6 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -139.2 | 20.5 | -175.4 | -51.4 | -170.8 | -1.6 | 0 | 0 | 117 | M174 E175 | M174-Q177 PolarHBondContact O-N 3.1Å; E175-Q177 PolarHBondContact O-N 3.4Å |
| 178 | G | 56.3 | Low | 80 | Confident | 45 Ų | 45 | 69 Ų | 69 | 46% | 0.464 | 36% | 0.359 | S | S | . | . | trans | -146.8 | 160.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | E175 | E175-G178 PolarHBondContact O-N 3.39Š| ||
| 179 | E | 67.3 | Low | 80.2 | Confident | 153 Ų | 153 | 71.3 Ų | 71.3 | 72% | 0.715 | 37% | 0.368 | S | S | * | . | trans | -82.3 | 142.7 | 172.9 | -67.2 | 173.4 | 175.2 | 0 | 0 | 111.5 | E181 L182 V183 | E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 3Å; E179-E181 VanDerWaalsContact O-N 3.15Å; E179-L182 PolarHBondContact O-N 3.49Å; E179-L182 VanDerWaalsContact O-N 3.16Å; E179-V183 PolarHBondContact O-N 3.37Å | ||
| 180 | S | 75.7 | Confident | 80.5 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 76% | 0.755 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56.5 | -32.8 | -174 | -174.2 | 0 | 0 | 0 | 0 | 114.7 | S184 | S180-S184 PolarHBondContact O-N 2.9Å |
| 181 | E | 81.9 | Confident | 80.7 | Confident | 143 Ų | 143 | 71.1 Ų | 71.1 | 67% | 0.668 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -72.1 | -40 | -179.1 | -170.4 | 178.9 | -177.5 | 0 | 0 | 111.9 | E179 V183 S184 M185 | E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 3Å; E179-E181 VanDerWaalsContact O-N 3.15Å; E181-V183 VanDerWaalsContact C-N 3.3Å; E181-V183 PolarHBondContact O-N 3.15Å; E181-S184 PolarHBondContact O-N 3.48Å; E181-M185 HydrophobicContact CG-CE 4.32Å; E181-M185 WeakPolarHBondContact O-CG 3.41Å; E181-M185 PolarHBondContact O-N 2.87Å |
| 182 | L | 83 | Confident | 81 | Confident | 52 Ų | 52 | 74.7 Ų | 74.7 | 27% | 0.272 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 177.2 | -176.5 | 126.5 | 0 | 0 | 0 | 111.3 | E179 M185 L186 | E179-L182 PolarHBondContact O-N 3.49Å; E179-L182 VanDerWaalsContact O-N 3.16Å; L182-M185 HydrophobicContact CB-CE 4.49Å; L182-M185 PolarHBondContact O-N 3.33Å; L182-L186 HydrophobicContact CD2-CD1 3.59Å; L182-L186 HydrophobicContact CD2-CG 4.33Å; L182-L186 HydrophobicContact CG-CD1 4.27Å; L182-L186 WeakPolarHBondContact O-CB 3.17Å; L182-L186 VanDerWaalsContact O-CG 3.24Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.48Å |
| 183 | V | 84.9 | Confident | 81.5 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 12% | 0.121 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | L171 E175 E179 E181 M185 L186 R187 | L171-V183 HydrophobicContact CB-CG1 4.31Å; L171-V183 HydrophobicContact CD1-CG1 4.36Å; L171-V183 HydrophobicContact CD2-CG1 4.36Å; E175-V183 HydrophobicContact CG-CG1 4.43Å; E175-V183 HydrophobicContact CG-CG2 3.8Å; E175-V183 WeakPolarHBondContact OE1-CG1 3.24Å; E179-V183 PolarHBondContact O-N 3.37Å; E181-V183 VanDerWaalsContact C-N 3.3Å; E181-V183 PolarHBondContact O-N 3.15Å; V183-M185 VanDerWaalsContact C-N 3.35Å; V183-M185 PolarHBondContact O-N 2.94Å; V183-L186 PolarHBondContact O-N 3.28Å; V183-R187 WeakPolarHBondContact O-CB 3.38Å; V183-R187 PolarHBondContact O-N 3.31Å |
| 184 | S | 87.4 | Confident | 82.3 | Confident | 80 Ų | 80 | 72 Ų | 72 | 56% | 0.559 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61 | -43.7 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | S180 E181 R187 R188 | S180-S184 PolarHBondContact O-N 2.9Å; E181-S184 PolarHBondContact O-N 3.48Å; S184-R187 PolarHBondContact O-N 3.33Å; S184-R188 PolarHBondContact O-N 2.91Å |
| 185 | M | 89.8 | Confident | 83.3 | Confident | 65 Ų | 65 | 71.5 Ų | 71.5 | 32% | 0.32 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.1 | -72.1 | -169.6 | -71.9 | 0 | 0 | 112.3 | E181 L182 V183 R187 R188 H189 L223 | E181-M185 HydrophobicContact CG-CE 4.32Å; E181-M185 WeakPolarHBondContact O-CG 3.41Å; E181-M185 PolarHBondContact O-N 2.87Å; L182-M185 HydrophobicContact CB-CE 4.49Å; L182-M185 PolarHBondContact O-N 3.33Å; V183-M185 VanDerWaalsContact C-N 3.35Å; V183-M185 PolarHBondContact O-N 2.94Å; M185-R187 VanDerWaalsContact C-N 3.34Å; M185-R188 PolarHBondContact O-N 2.99Å; M185-H189 PolarHBondContact O-N 2.75Å; M185-H189 PolarHBondContact O-ND1 2.95Å; M185-L223 HydrophobicContact CB-CD1 4.25Å |
| 186 | L | 91.2 | Very high | 84.7 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.7 | -75.4 | 172.2 | 0 | 0 | 0 | 111.3 | L171 L182 V183 H189 S190 L216 A219 L220 L223 | L171-L186 HydrophobicContact CD2-CB 3.91Å; L171-L186 HydrophobicContact CD2-CD1 4.33Å; L182-L186 HydrophobicContact CD2-CD1 3.59Å; L182-L186 HydrophobicContact CD2-CG 4.33Å; L182-L186 HydrophobicContact CG-CD1 4.27Å; L182-L186 WeakPolarHBondContact O-CB 3.17Å; L182-L186 VanDerWaalsContact O-CG 3.24Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.48Å; V183-L186 PolarHBondContact O-N 3.28Å; L186-H189 PolarHBondContact O-N 3.49Å; L186-S190 VanDerWaalsContact O-CB 3.27Å; L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.38Å; L186-S190 PolarHBondContact O-OG 2.82Å; L186-L216 HydrophobicContact CB-CD1 4.22Å; L186-A219 HydrophobicContact CD2-CB 3.93Å; L186-L220 HydrophobicContact CD1-CD2 3.6Å; L186-L220 HydrophobicContact CD1-CG 4.48Å; L186-L220 HydrophobicContact CD2-CD2 3.72Å; L186-L220 HydrophobicContact CD2-CG 3.93Å; L186-L220 HydrophobicContact CG-CD2 4.34Å; L186-L223 HydrophobicContact CD2-CB 4.48Å; L186-L223 HydrophobicContact CD2-CD1 4.14Å |
| 187 | R | 92.5 | Very high | 86.7 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56 | -57.1 | 175.5 | 177 | 165.7 | -116.4 | -70.5 | 8.8 | 110.9 | L171 V183 S184 M185 H189 S190 D191 | L171-R187 HydrophobicContact CD1-CB 3.69Å; L171-R187 HydrophobicContact CD1-CG 4.27Å; V183-R187 WeakPolarHBondContact O-CB 3.38Å; V183-R187 PolarHBondContact O-N 3.31Å; S184-R187 PolarHBondContact O-N 3.33Å; M185-R187 VanDerWaalsContact C-N 3.34Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 3.45Å; R187-S190 CarbonylContact O-C 3.6Å; R187-S190 WeakPolarHBondContact O-CB 3.39Å; R187-S190 PolarHBondContact O-N 2.83Å; R187-D191 VanDerWaalsContact CG-OD2 3.23Å; R187-D191 WeakPolarHBondContact CG-OD2 3.32Å; R187-D191 IonicContact NH1-OD1 3.93Å; R187-D191 IonicContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact NH1-OD2 3.48Å; R187-D191 VanDerWaalsContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact O-N 3.06Å |
| 188 | R | 93 | Very high | 88.8 | Confident | 155 Ų | 155 | 55.2 Ų | 55.2 | 59% | 0.585 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.5 | -42.3 | -178.8 | -172.6 | 178.3 | 63.5 | 173 | -2.6 | 112.9 | S184 M185 T192 | S184-R188 PolarHBondContact O-N 2.91Å; M185-R188 PolarHBondContact O-N 2.99Å; R188-T192 PolarHBondContact O-N 3.23Å; R188-T192 PolarHBondContact O-OG1 3.33Å |
| 189 | H | 94 | Very high | 90.6 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 177.1 | -75.2 | 63.7 | 0 | 0 | 0 | 111.4 | M185 L186 R187 T192 L193 A219 L223 | M185-H189 PolarHBondContact O-N 2.75Å; M185-H189 PolarHBondContact O-ND1 2.95Å; L186-H189 PolarHBondContact O-N 3.49Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 3.45Å; H189-T192 PolarHBondContact O-N 3.32Å; H189-L193 WeakPolarHBondContact O-CB 3.23Å; H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.22Å; H189-A219 HydrophobicContact CB-CB 3.8Å; H189-L223 HydrophobicContact CB-CD1 4.17Å |
| 190 | S | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | L186 R187 L193 A194 L216 | L186-S190 VanDerWaalsContact O-CB 3.27Å; L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.38Å; L186-S190 PolarHBondContact O-OG 2.82Å; R187-S190 CarbonylContact O-C 3.6Å; R187-S190 WeakPolarHBondContact O-CB 3.39Å; R187-S190 PolarHBondContact O-N 2.83Å; S190-L193 PolarHBondContact O-N 3.37Å; S190-A194 VanDerWaalsContact O-CB 3.25Å; S190-A194 WeakPolarHBondContact O-CB 3.25Å; S190-A194 PolarHBondContact O-N 3.13Å; S190-L216 WeakPolarHBondContact OG-CA 3.48Å; S190-L216 WeakPolarHBondContact OG-CD1 3.32Å |
| 191 | D | 96.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 175.1 | -72.8 | -39.8 | 0 | 0 | 0 | 110.5 | E81 L167 R187 L193 A194 A195 | E81-D191 HydrophobicContact CB-CB 4.22Å; E81-D191 HydrophobicContact CG-CB 4.2Å; L167-D191 WeakPolarHBondContact CD1-OD1 3.21Å; R187-D191 VanDerWaalsContact CG-OD2 3.23Å; R187-D191 WeakPolarHBondContact CG-OD2 3.32Å; R187-D191 IonicContact NH1-OD1 3.93Å; R187-D191 IonicContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact NH1-OD2 3.48Å; R187-D191 VanDerWaalsContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact O-N 3.06Å; D191-L193 PolarHBondContact O-N 3.15Å; D191-A194 PolarHBondContact O-N 3.34Å; D191-A195 PolarHBondContact O-N 3.07Å |
| 192 | T | 95.8 | Very high | 93 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 52% | 0.515 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | R188 H189 A194 A195 L196 | R188-T192 PolarHBondContact O-N 3.23Å; R188-T192 PolarHBondContact O-OG1 3.33Å; H189-T192 PolarHBondContact O-N 3.32Å; T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.25Å; T192-A195 PolarHBondContact O-N 2.93Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 3.44Å |
| 193 | L | 97.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 179.7 | -68.9 | 176.5 | 0 | 0 | 0 | 111.8 | H189 S190 D191 L196 C197 S215 C218 A219 I256 L260 | H189-L193 WeakPolarHBondContact O-CB 3.23Å; H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.22Å; S190-L193 PolarHBondContact O-N 3.37Å; D191-L193 PolarHBondContact O-N 3.15Å; L193-L196 HydrophobicContact CD2-CD1 4.11Å; L193-L196 WeakPolarHBondContact O-CB 3.38Å; L193-L196 PolarHBondContact O-N 2.94Å; L193-C197 PolarHBondContact O-N 2.94Å; L193-C197 PolarHBondContact O-SG 2.85Å; L193-S215 WeakPolarHBondContact CB-OG 3.46Å; L193-S215 WeakPolarHBondContact CD1-O 3.17Å; L193-C218 HydrophobicContact CD1-CB 3.6Å; L193-A219 HydrophobicContact CD1-CB 4.45Å; L193-I256 HydrophobicContact CB-CG2 4.22Å; L193-I256 HydrophobicContact CD1-CG2 4.37Å; L193-I256 HydrophobicContact CD2-CG2 3.83Å; L193-I256 HydrophobicContact CG-CG2 4.36Å; L193-L260 HydrophobicContact CD2-CD2 4.16Å |
| 194 | A | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P163 S190 D191 T192 L196 C197 V198 I211 S215 | P163-A194 HydrophobicContact CB-CB 4Å; P163-A194 HydrophobicContact CG-CB 4.49Å; S190-A194 VanDerWaalsContact O-CB 3.25Å; S190-A194 WeakPolarHBondContact O-CB 3.25Å; S190-A194 PolarHBondContact O-N 3.13Å; D191-A194 PolarHBondContact O-N 3.34Å; T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.25Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.91Å; A194-C197 WeakPolarHBondContact O-CB 3.17Å; A194-C197 PolarHBondContact O-N 2.54Å; A194-C197 VanDerWaalsContact O-N 3.1Å; A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 2.87Å; A194-I211 HydrophobicContact CB-CG2 4.25Å; A194-S215 WeakPolarHBondContact CA-OG 3.4Å; A194-S215 PolarHBondContact N-OG 3.48Å; A194-S215 VanDerWaalsContact N-OG 3.15Å |
| 195 | A | 96.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 38 Ų | 38 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L71 F84 D191 T192 C197 V198 C199 | L71-A195 HydrophobicContact CD1-CB 4.13Å; F84-A195 HydrophobicContact CD1-CB 3.98Å; F84-A195 HydrophobicContact CE1-CB 4.01Å; D191-A195 PolarHBondContact O-N 3.07Å; T192-A195 PolarHBondContact O-N 2.93Å; A195-C197 VanDerWaalsContact C-N 3.31Å; A195-C197 PolarHBondContact O-N 2.98Å; A195-V198 PolarHBondContact O-N 3.2Å; A195-C199 PolarHBondContact O-N 3.34Å; A195-C199 VanDerWaalsContact O-N 3.13Å |
| 196 | L | 95.9 | Very high | 93.9 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 18% | 0.183 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | 173.5 | -71.5 | 175.3 | 0 | 0 | 0 | 112.6 | T192 L193 A194 C199 D200 L260 | T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 3.44Å; L193-L196 HydrophobicContact CD2-CD1 4.11Å; L193-L196 WeakPolarHBondContact O-CB 3.38Å; L193-L196 PolarHBondContact O-N 2.94Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.91Å; L196-C199 PolarHBondContact O-N 3.39Å; L196-D200 PolarHBondContact O-N 2.91Å; L196-L260 HydrophobicContact CD1-CD1 4Å |
| 197 | C | 96.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.3 | -62 | 0 | 0 | 0 | 0 | 111.6 | L193 A194 A195 C199 D200 F203 I211 I256 | L193-C197 PolarHBondContact O-N 2.94Å; L193-C197 PolarHBondContact O-SG 2.85Å; A194-C197 WeakPolarHBondContact O-CB 3.17Å; A194-C197 PolarHBondContact O-N 2.54Å; A194-C197 VanDerWaalsContact O-N 3.1Å; A195-C197 VanDerWaalsContact C-N 3.31Å; A195-C197 PolarHBondContact O-N 2.98Å; C197-C199 PolarHBondContact O-N 2.78Å; C197-D200 PolarHBondContact O-N 3.32Å; C197-F203 HydrophobicContact CB-CB 4.2Å; C197-F203 HydrophobicContact CB-CD1 4.18Å; C197-F203 HydrophobicContact CB-CD2 4.07Å; C197-F203 HydrophobicContact CB-CE2 4.49Å; C197-F203 HydrophobicContact CB-CG 3.88Å; C197-I211 HydrophobicContact CB-CD1 4.14Å; C197-I211 HydrophobicContact CB-CG2 3.75Å; C197-I256 WeakPolarHBondContact SG-CD1 3.36Å; C197-I256 WeakPolarHBondContact SG-CG1 3.48Å |
| 198 | V | 95 | Very high | 94.3 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -37.6 | 179 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | R63 F84 P85 V88 A194 A195 D200 | R63-V198 PolarHBondContact NH1-O 2.93Å; R63-V198 PolarHBondContact NH2-O 3.41Å; F84-V198 HydrophobicContact CD1-CG1 4.45Å; F84-V198 HydrophobicContact CE1-CB 3.83Å; F84-V198 HydrophobicContact CE1-CG1 3.63Å; F84-V198 HydrophobicContact CZ-CB 4.25Å; F84-V198 HydrophobicContact CZ-CG1 3.68Å; P85-V198 HydrophobicContact CB-CG2 4.17Å; V88-V198 HydrophobicContact CB-CG1 3.55Å; V88-V198 HydrophobicContact CG1-CG1 3.59Å; V88-V198 HydrophobicContact CG2-CG1 3.7Å; A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 2.87Å; A195-V198 PolarHBondContact O-N 3.2Å; V198-D200 VanDerWaalsContact C-N 3.29Å; V198-D200 PolarHBondContact O-N 3.12Å |
| 199 | C | 94.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -19.5 | 175.5 | -76.6 | 0 | 0 | 0 | 0 | 114.7 | E64 F84 A195 L196 C197 | E64-C199 VanDerWaalsContact CG-O 3.29Å; E64-C199 WeakPolarHBondContact CG-O 3.43Å; F84-C199 WeakPolarHBondContact CZ-SG 3.37Å; A195-C199 PolarHBondContact O-N 3.34Å; A195-C199 VanDerWaalsContact O-N 3.13Å; L196-C199 PolarHBondContact O-N 3.39Å; C197-C199 PolarHBondContact O-N 2.78Å |
| 200 | D | 92.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | trans | -107.8 | 122 | -167.5 | -176.4 | -36.9 | 0 | 0 | 0 | 110.9 | L196 C197 V198 R202 F203 | L196-D200 PolarHBondContact O-N 2.91Å; C197-D200 PolarHBondContact O-N 3.32Å; V198-D200 VanDerWaalsContact C-N 3.29Å; V198-D200 PolarHBondContact O-N 3.12Å; D200-R202 PolarHBondContact O-N 3.35Å; D200-R202 VanDerWaalsContact O-N 3.09Å; D200-R202 VanDerWaalsContact OD1-CB 3.26Å; D200-R202 WeakPolarHBondContact OD1-CB 3.32Å; D200-R202 WeakPolarHBondContact OD1-CG 3.47Å; D200-R202 IonicContact OD1-CZ 3.3Å; D200-R202 PolarHBondContact OD1-N 3.2Å; D200-R202 IonicContact OD1-NE 2.97Å; D200-R202 PolarHBondContact OD1-NE 2.83Å; D200-R202 IonicContact OD1-NH2 2.75Å; D200-R202 IonicContact OD2-CZ 2.9Å; D200-R202 VanDerWaalsContact OD2-CZ 3.32Å; D200-R202 IonicContact OD2-NE 3.61Å; D200-R202 PolarHBondContact OD2-NE 2.86Å; D200-R202 IonicContact OD2-NH2 2.88Å; D200-R202 PolarHBondContact OD2-NH2 3.42Å; D200-F203 HydrophobicContact CB-CD2 3.78Å; D200-F203 HydrophobicContact CB-CE2 4.16Å; D200-F203 PolarHBondContact O-N 2.96Å; D200-F203 VanDerWaalsContact O-N 3.08Å | ||
| 201 | S | 90.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 24 Ų | 24 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -63.2 | -19.3 | -173.5 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | P60 E64 F203 L204 | P60-S201 WeakPolarHBondContact CB-OG 3.13Å; E64-S201 VanDerWaalsContact OE1-CB 3.23Å; E64-S201 WeakPolarHBondContact OE1-CB 3.29Å; E64-S201 PolarHBondContact OE1-N 3.33Å; E64-S201 PolarHBondContact OE1-OG 2.73Å; S201-F203 PolarHBondContact O-N 3.19Å; S201-L204 WeakPolarHBondContact O-CB 3.48Å; S201-L204 PolarHBondContact O-N 3.09Å; S201-L204 VanDerWaalsContact O-N 3.09Å |
| 202 | R | 91.3 | Very high | 94.9 | Very high | 108 Ų | 108 | 23.5 Ų | 23.5 | 41% | 0.408 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -67.4 | -23.2 | 176.4 | -63.6 | 175.1 | -71.2 | 171.7 | -6.8 | 113 | D200 S259 | D200-R202 PolarHBondContact O-N 3.35Å; D200-R202 VanDerWaalsContact O-N 3.09Å; D200-R202 VanDerWaalsContact OD1-CB 3.26Å; D200-R202 WeakPolarHBondContact OD1-CB 3.32Å; D200-R202 WeakPolarHBondContact OD1-CG 3.47Å; D200-R202 IonicContact OD1-CZ 3.3Å; D200-R202 PolarHBondContact OD1-N 3.2Å; D200-R202 IonicContact OD1-NE 2.97Å; D200-R202 PolarHBondContact OD1-NE 2.83Å; D200-R202 IonicContact OD1-NH2 2.75Å; D200-R202 IonicContact OD2-CZ 2.9Å; D200-R202 VanDerWaalsContact OD2-CZ 3.32Å; D200-R202 IonicContact OD2-NE 3.61Å; D200-R202 PolarHBondContact OD2-NE 2.86Å; D200-R202 IonicContact OD2-NH2 2.88Å; D200-R202 PolarHBondContact OD2-NH2 3.42Å; R202-S259 PolarHBondContact NH2-OG 3.08Å |
| 203 | F | 93 | Very high | 95 | Very high | 14 Ų | 14 | 19.5 Ų | 19.5 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -93.7 | 1.8 | 176.2 | -60.5 | -86.8 | 0 | 0 | 0 | 112.2 | C197 D200 S201 G205 A206 I211 Y252 M255 I256 | C197-F203 HydrophobicContact CB-CB 4.2Å; C197-F203 HydrophobicContact CB-CD1 4.18Å; C197-F203 HydrophobicContact CB-CD2 4.07Å; C197-F203 HydrophobicContact CB-CE2 4.49Å; C197-F203 HydrophobicContact CB-CG 3.88Å; D200-F203 HydrophobicContact CB-CD2 3.78Å; D200-F203 HydrophobicContact CB-CE2 4.16Å; D200-F203 PolarHBondContact O-N 2.96Å; D200-F203 VanDerWaalsContact O-N 3.08Å; S201-F203 PolarHBondContact O-N 3.19Å; F203-G205 PolarHBondContact O-N 2.96Å; F203-A206 VanDerWaalsContact O-CB 3.25Å; F203-A206 WeakPolarHBondContact O-CB 3.47Å; F203-A206 PolarHBondContact O-N 2.95Å; F203-I211 HydrophobicContact CB-CD1 4.04Å; F203-I211 HydrophobicContact CD1-CD1 3.53Å; F203-I211 HydrophobicContact CE1-CD1 4.4Å; F203-I211 HydrophobicContact CG-CD1 4.14Å; F203-Y252 AromaticContact CD1-CD1 3.74Å; F203-Y252 HydrophobicContact CD1-CD1 3.74Å; F203-Y252 AromaticContact CD1-CE1 3.8Å; F203-Y252 HydrophobicContact CD1-CE1 3.8Å; F203-Y252 AromaticContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CE1 4.27Å; F203-M255 HydrophobicContact CD1-CE 4.26Å; F203-M255 HydrophobicContact CE1-CB 4.27Å; F203-M255 HydrophobicContact CE1-CE 3.78Å; F203-M255 HydrophobicContact CZ-CB 3.96Å; F203-M255 HydrophobicContact CZ-CE 4.32Å; F203-I256 HydrophobicContact CE1-CD1 4.41Å; F203-I256 HydrophobicContact CE1-CG1 3.72Å; F203-I256 HydrophobicContact CZ-CG1 3.64Å |
| 204 | L | 90 | Very high | 95 | Very high | 34 Ų | 34 | 18.8 Ų | 18.8 | 18% | 0.178 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 119.8 | 174.7 | -172.8 | 66.9 | 0 | 0 | 0 | 109.9 | P48 Y52 V53 Q57 S201 | P48-L204 HydrophobicContact CG-CD1 3.89Å; P48-L204 HydrophobicContact CG-CG 4.37Å; Y52-L204 HydrophobicContact CE1-CD1 4.23Å; Y52-L204 HydrophobicContact CE1-CD2 4.08Å; V53-L204 HydrophobicContact CG2-CD2 3.94Å; V53-L204 HydrophobicContact CG2-CG 4.4Å; Q57-L204 HydrophobicContact CB-CD2 4.46Å; Q57-L204 HydrophobicContact CG-CD2 3.9Å; S201-L204 WeakPolarHBondContact O-CB 3.48Å; S201-L204 PolarHBondContact O-N 3.09Å; S201-L204 VanDerWaalsContact O-N 3.09Å |
| 205 | G | 88.3 | Confident | 95 | Very high | 47 Ų | 47 | 18.8 Ų | 18.8 | 49% | 0.485 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 0.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F203 | F203-G205 PolarHBondContact O-N 2.96Š|
| 206 | A | 93.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | trans | -74 | 135.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F203 I211 Y252 | F203-A206 VanDerWaalsContact O-CB 3.25Å; F203-A206 WeakPolarHBondContact O-CB 3.47Å; F203-A206 PolarHBondContact O-N 2.95Å; A206-I211 HydrophobicContact CB-CD1 3.61Å; A206-I211 HydrophobicContact CB-CG1 3.94Å; A206-Y252 HydrophobicContact CB-CD1 4.49Å; A206-Y252 HydrophobicContact CB-CE1 3.5Å | ||
| 207 | P | 95.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 16.7 Ų | 16.7 | 27% | 0.273 | 10% | 0.098 | S | C | . | . | trans | -66.3 | 142.4 | 178 | 23.4 | -28.7 | 0 | 0 | 0 | 110.8 | E43 S209 L210 I211 | E43-P207 HydrophobicContact CG-CB 4.36Å; P207-S209 PolarHBondContact O-N 3.29Å; P207-L210 HydrophobicContact CG-CB 3.72Å; P207-L210 HydrophobicContact CG-CD2 4.35Å; P207-L210 WeakPolarHBondContact O-CB 3.26Å; P207-L210 PolarHBondContact O-N 3.24Å; P207-I211 PolarHBondContact O-N 3.45Å; P207-I211 VanDerWaalsContact O-N 3.13Å | ||
| 208 | P | 97.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 16.9 Ų | 16.9 | 7% | 0.071 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -50.8 | -37.2 | 177.2 | -27.9 | 32.6 | 0 | 0 | 0 | 114.3 | E43 V161 P163 F166 I211 A212 | E43-P208 HydrophobicContact CB-CG 4.26Å; E43-P208 WeakPolarHBondContact OE2-CD 3.49Å; V161-P208 HydrophobicContact CG1-CB 4.48Å; V161-P208 WeakPolarHBondContact O-CG 3.43Å; P163-P208 HydrophobicContact CG-CB 4.3Å; F166-P208 HydrophobicContact CD2-CB 4.34Å; F166-P208 HydrophobicContact CE2-CB 4.05Å; P208-I211 PolarHBondContact O-N 3.41Å; P208-A212 WeakPolarHBondContact O-CB 3.35Å; P208-A212 PolarHBondContact O-N 2.99Å |
| 209 | S | 97.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.3 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | L40 E43 P207 A212 A213 | L40-S209 VanDerWaalsContact CD2-CB 3.41Å; L40-S209 WeakPolarHBondContact CD2-OG 3.49Å; E43-S209 VanDerWaalsContact CD-OG 3.23Å; E43-S209 WeakPolarHBondContact OE1-CB 3.36Å; E43-S209 PolarHBondContact OE1-OG 3.39Å; E43-S209 WeakPolarHBondContact OE2-CB 3.3Å; E43-S209 PolarHBondContact OE2-N 3.09Å; E43-S209 PolarHBondContact OE2-OG 3.24Å; P207-S209 PolarHBondContact O-N 3.29Å; S209-A212 PolarHBondContact O-N 2.62Å; S209-A213 VanDerWaalsContact O-CB 3.3Å; S209-A213 WeakPolarHBondContact O-CB 3.37Å; S209-A213 PolarHBondContact O-N 2.72Å |
| 210 | L | 97.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 16.5 Ų | 16.5 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 177.6 | 178.8 | 60.2 | 0 | 0 | 0 | 111.2 | P207 A213 A214 T244 V248 L249 Y252 | P207-L210 HydrophobicContact CG-CB 3.72Å; P207-L210 HydrophobicContact CG-CD2 4.35Å; P207-L210 WeakPolarHBondContact O-CB 3.26Å; P207-L210 PolarHBondContact O-N 3.24Å; L210-A213 PolarHBondContact O-N 3.06Å; L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 3.22Å; L210-T244 HydrophobicContact CD1-CG2 4.08Å; L210-V248 HydrophobicContact CD1-CG1 4.36Å; L210-V248 HydrophobicContact CD2-CG1 4.03Å; L210-L249 HydrophobicContact CD1-CD1 4.19Å; L210-Y252 HydrophobicContact CD1-CD2 4.46Å; L210-Y252 HydrophobicContact CD1-CG 4.39Å; L210-Y252 HydrophobicContact CD2-CD1 4.08Å; L210-Y252 HydrophobicContact CD2-CD2 3.67Å; L210-Y252 HydrophobicContact CD2-CE1 4Å; L210-Y252 HydrophobicContact CD2-CE2 3.55Å; L210-Y252 HydrophobicContact CD2-CG 3.92Å; L210-Y252 HydrophobicContact CG-CD1 4.21Å; L210-Y252 HydrophobicContact CG-CD2 4.24Å; L210-Y252 HydrophobicContact CG-CG 4.05Å |
| 211 | I | 97.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 175.6 | -62.5 | -55.4 | 0 | 0 | 0 | 110.8 | P163 A194 C197 F203 A206 P207 P208 A213 A214 S215 Y252 | P163-I211 HydrophobicContact CB-CG2 4.2Å; P163-I211 HydrophobicContact CG-CB 4.04Å; P163-I211 HydrophobicContact CG-CG2 3.79Å; A194-I211 HydrophobicContact CB-CG2 4.25Å; C197-I211 HydrophobicContact CB-CD1 4.14Å; C197-I211 HydrophobicContact CB-CG2 3.75Å; F203-I211 HydrophobicContact CB-CD1 4.04Å; F203-I211 HydrophobicContact CD1-CD1 3.53Å; F203-I211 HydrophobicContact CE1-CD1 4.4Å; F203-I211 HydrophobicContact CG-CD1 4.14Å; A206-I211 HydrophobicContact CB-CD1 3.61Å; A206-I211 HydrophobicContact CB-CG1 3.94Å; P207-I211 PolarHBondContact O-N 3.45Å; P207-I211 VanDerWaalsContact O-N 3.13Å; P208-I211 PolarHBondContact O-N 3.41Å; I211-A213 PolarHBondContact O-N 3.11Å; I211-A214 PolarHBondContact O-N 3.1Å; I211-S215 VanDerWaalsContact O-CB 3.27Å; I211-S215 WeakPolarHBondContact O-CB 3.42Å; I211-S215 PolarHBondContact O-N 3.42Å; I211-S215 PolarHBondContact O-OG 3.45Å; I211-Y252 HydrophobicContact CD1-CD1 4.14Å; I211-Y252 HydrophobicContact CD1-CE1 4.25Å |
| 212 | A | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P163 F166 L167 F170 P208 S209 L216 | P163-A212 HydrophobicContact CB-CB 4Å; P163-A212 WeakPolarHBondContact O-CB 3.29Å; F166-A212 HydrophobicContact CB-CB 3.69Å; L167-A212 HydrophobicContact CD2-CB 4.07Å; L167-A212 HydrophobicContact CG-CB 4.14Å; F170-A212 HydrophobicContact CD2-CB 4.19Å; F170-A212 HydrophobicContact CE2-CB 3.85Å; P208-A212 WeakPolarHBondContact O-CB 3.35Å; P208-A212 PolarHBondContact O-N 2.99Å; S209-A212 PolarHBondContact O-N 2.62Å; A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 PolarHBondContact O-N 2.95Å |
| 213 | A | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F170 S209 L210 I211 L216 N217 L238 C242 L249 | F170-A213 HydrophobicContact CD2-CB 4.37Å; F170-A213 HydrophobicContact CE2-CB 3.87Å; S209-A213 VanDerWaalsContact O-CB 3.3Å; S209-A213 WeakPolarHBondContact O-CB 3.37Å; S209-A213 PolarHBondContact O-N 2.72Å; L210-A213 PolarHBondContact O-N 3.06Å; I211-A213 PolarHBondContact O-N 3.11Å; A213-L216 PolarHBondContact O-N 3.46Å; A213-N217 VanDerWaalsContact O-CB 3.25Å; A213-N217 WeakPolarHBondContact O-CB 3.46Å; A213-N217 PolarHBondContact O-N 3.2Å; A213-L238 HydrophobicContact CB-CB 4.38Å; A213-C242 HydrophobicContact CB-CB 4.18Å; A213-L249 HydrophobicContact CB-CD1 3.7Å |
| 214 | A | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L210 I211 N217 C218 L249 S253 I256 | L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 3.22Å; I211-A214 PolarHBondContact O-N 3.1Å; A214-N217 PolarHBondContact O-N 2.87Å; A214-C218 WeakPolarHBondContact O-CB 3.4Å; A214-C218 PolarHBondContact O-N 3.38Å; A214-C218 PolarHBondContact O-SG 2.9Å; A214-L249 HydrophobicContact CB-CD1 4.01Å; A214-S253 PolarHBondContact O-OG 3.26Å; A214-I256 HydrophobicContact CB-CD1 3.64Å |
| 215 | S | 97.6 | Very high | 90 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.7 | -74 | 0 | 0 | 0 | 0 | 111.8 | L193 A194 I211 C218 A219 | L193-S215 WeakPolarHBondContact CB-OG 3.46Å; L193-S215 WeakPolarHBondContact CD1-O 3.17Å; A194-S215 WeakPolarHBondContact CA-OG 3.4Å; A194-S215 PolarHBondContact N-OG 3.48Å; A194-S215 VanDerWaalsContact N-OG 3.15Å; I211-S215 VanDerWaalsContact O-CB 3.27Å; I211-S215 WeakPolarHBondContact O-CB 3.42Å; I211-S215 PolarHBondContact O-N 3.42Å; I211-S215 PolarHBondContact O-OG 3.45Å; S215-C218 WeakPolarHBondContact O-CB 3.39Å; S215-C218 PolarHBondContact O-N 2.92Å; S215-A219 PolarHBondContact O-N 3.13Å |
| 216 | L | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.6 | -179.6 | 53.9 | 0 | 0 | 0 | 112 | L167 F170 L171 M174 L186 S190 A212 A213 C218 A219 L220 L238 | L167-L216 HydrophobicContact CD2-CB 4.16Å; F170-L216 HydrophobicContact CB-CD2 3.66Å; L171-L216 HydrophobicContact CD2-CD1 3.58Å; L171-L216 HydrophobicContact CD2-CD2 4.11Å; L171-L216 HydrophobicContact CG-CD1 4.35Å; L171-L216 HydrophobicContact CG-CD2 4.19Å; M174-L216 HydrophobicContact SD-CD2 3.75Å; M174-L216 HydrophobicContact SD-CG 4.4Å; L186-L216 HydrophobicContact CB-CD1 4.22Å; S190-L216 WeakPolarHBondContact OG-CA 3.48Å; S190-L216 WeakPolarHBondContact OG-CD1 3.32Å; A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 PolarHBondContact O-N 2.95Å; A213-L216 PolarHBondContact O-N 3.46Å; L216-C218 VanDerWaalsContact C-N 3.32Å; L216-C218 PolarHBondContact O-N 2.66Å; L216-A219 PolarHBondContact O-N 2.91Å; L216-L220 HydrophobicContact CD1-CD1 4.27Å; L216-L220 HydrophobicContact CD1-CG 4.29Å; L216-L220 HydrophobicContact CG-CD1 4.07Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CD1 3.42Å; L216-L220 VanDerWaalsContact O-CG 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.2Å; L216-L238 HydrophobicContact CD2-CD2 3.89Å; L216-L238 HydrophobicContact CG-CD1 4.33Å |
| 217 | N | 94.4 | Very high | 87.6 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 175.4 | -168.4 | 42.5 | 0 | 0 | 0 | 112 | A213 A214 L220 R221 S235 L238 S253 | A213-N217 VanDerWaalsContact O-CB 3.25Å; A213-N217 WeakPolarHBondContact O-CB 3.46Å; A213-N217 PolarHBondContact O-N 3.2Å; A214-N217 PolarHBondContact O-N 2.87Å; N217-L220 PolarHBondContact O-N 3.38Å; N217-R221 WeakPolarHBondContact O-CD 3.49Å; N217-R221 VanDerWaalsContact O-CG 3.27Å; N217-R221 WeakPolarHBondContact O-CG 3.35Å; N217-R221 PolarHBondContact O-N 3.12Å; N217-S235 PolarHBondContact ND2-OG 2.95Å; N217-L238 HydrophobicContact CB-CD1 3.93Å; N217-S253 WeakPolarHBondContact CB-OG 3.32Å; N217-S253 PolarHBondContact ND2-OG 2.99Å |
| 218 | C | 94.2 | Very high | 86.5 | Confident | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.054 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 171.5 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | L193 A214 S215 L216 L220 R221 G222 S253 I256 | L193-C218 HydrophobicContact CD1-CB 3.6Å; A214-C218 WeakPolarHBondContact O-CB 3.4Å; A214-C218 PolarHBondContact O-N 3.38Å; A214-C218 PolarHBondContact O-SG 2.9Å; S215-C218 WeakPolarHBondContact O-CB 3.39Å; S215-C218 PolarHBondContact O-N 2.92Å; L216-C218 VanDerWaalsContact C-N 3.32Å; L216-C218 PolarHBondContact O-N 2.66Å; C218-L220 VanDerWaalsContact C-N 3.29Å; C218-L220 PolarHBondContact O-N 2.99Å; C218-R221 PolarHBondContact O-N 3.35Å; C218-G222 PolarHBondContact O-N 3.27Å; C218-S253 VanDerWaalsContact SG-C 3.59Å; C218-S253 WeakPolarHBondContact SG-CA 3.27Å; C218-S253 VanDerWaalsContact SG-CB 3.55Å; C218-S253 PolarHBondContact SG-O 3.46Å; C218-I256 HydrophobicContact CB-CG2 4.37Å |
| 219 | A | 92.4 | Very high | 85.6 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L186 H189 L193 S215 L216 R221 G222 L223 | L186-A219 HydrophobicContact CD2-CB 3.93Å; H189-A219 HydrophobicContact CB-CB 3.8Å; L193-A219 HydrophobicContact CD1-CB 4.45Å; S215-A219 PolarHBondContact O-N 3.13Å; L216-A219 PolarHBondContact O-N 2.91Å; A219-R221 PolarHBondContact O-N 3.16Å; A219-G222 PolarHBondContact O-N 3.16Å; A219-L223 WeakPolarHBondContact O-CB 3.17Å; A219-L223 PolarHBondContact O-N 3.19Å |
| 220 | L | 89.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.3 | -73.1 | 162.6 | 0 | 0 | 0 | 113 | M174 L186 L216 N217 C218 G224 M234 L238 | M174-L220 HydrophobicContact CE-CD1 3.23Å; M174-L220 HydrophobicContact CE-CD2 4.21Å; M174-L220 HydrophobicContact CE-CG 4.32Å; M174-L220 HydrophobicContact SD-CD1 4.39Å; L186-L220 HydrophobicContact CD1-CD2 3.6Å; L186-L220 HydrophobicContact CD1-CG 4.48Å; L186-L220 HydrophobicContact CD2-CD2 3.72Å; L186-L220 HydrophobicContact CD2-CG 3.93Å; L186-L220 HydrophobicContact CG-CD2 4.34Å; L216-L220 HydrophobicContact CD1-CD1 4.27Å; L216-L220 HydrophobicContact CD1-CG 4.29Å; L216-L220 HydrophobicContact CG-CD1 4.07Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CD1 3.42Å; L216-L220 VanDerWaalsContact O-CG 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.2Å; N217-L220 PolarHBondContact O-N 3.38Å; C218-L220 VanDerWaalsContact C-N 3.29Å; C218-L220 PolarHBondContact O-N 2.99Å; L220-G224 VanDerWaalsContact O-CA 3.25Å; L220-G224 WeakPolarHBondContact O-CA 3.48Å; L220-G224 PolarHBondContact O-N 3.47Å; L220-M234 HydrophobicContact CD1-CE 3.99Å; L220-M234 HydrophobicContact CD2-CE 3.38Å; L220-M234 HydrophobicContact CG-CE 4.3Å; L220-L238 HydrophobicContact CD1-CD1 4.12Å |
| 221 | R | 86.9 | Confident | 84 | Confident | 69 Ų | 69 | 39.9 Ų | 39.9 | 26% | 0.26 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.3 | -35.6 | 176 | -73.6 | 164.2 | 55.5 | 154.8 | -1.4 | 112.3 | N217 C218 A219 E257 | N217-R221 WeakPolarHBondContact O-CD 3.49Å; N217-R221 VanDerWaalsContact O-CG 3.27Å; N217-R221 WeakPolarHBondContact O-CG 3.35Å; N217-R221 PolarHBondContact O-N 3.12Å; C218-R221 PolarHBondContact O-N 3.35Å; A219-R221 PolarHBondContact O-N 3.16Å; R221-E257 IonicContact CZ-OE1 3.17Å; R221-E257 IonicContact CZ-OE2 2.82Å; R221-E257 IonicContact NE-OE1 3.81Å; R221-E257 PolarHBondContact NE-OE1 3.03Å; R221-E257 IonicContact NH2-OE1 3.08Å; R221-E257 PolarHBondContact NH2-OE1 3.44Å; R221-E257 IonicContact NH2-OE2 2.71Å; R221-E257 PolarHBondContact NH2-OE2 2.99Å |
| 222 | G | 82.9 | Confident | 83.4 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -80.1 | -36.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C218 A219 | C218-G222 PolarHBondContact O-N 3.27Å; A219-G222 PolarHBondContact O-N 3.16Å |
| 223 | L | 75.6 | Confident | 82.9 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 34% | 0.335 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -104.6 | -21.4 | -174.9 | -64.4 | 174.2 | 0 | 0 | 0 | 114.1 | M185 L186 H189 A219 S225 | M185-L223 HydrophobicContact CB-CD1 4.25Å; L186-L223 HydrophobicContact CD2-CB 4.48Å; L186-L223 HydrophobicContact CD2-CD1 4.14Å; H189-L223 HydrophobicContact CB-CD1 4.17Å; A219-L223 WeakPolarHBondContact O-CB 3.17Å; A219-L223 PolarHBondContact O-N 3.19Å; L223-S225 PolarHBondContact O-N 3.3Å |
| 224 | G | 63.3 | Low | 82.5 | Confident | 22 Ų | 22 | 45 Ų | 45 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | trans | -80.4 | 116.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L220 K226 | L220-G224 VanDerWaalsContact O-CA 3.25Å; L220-G224 WeakPolarHBondContact O-CA 3.48Å; L220-G224 PolarHBondContact O-N 3.47Å; G224-K226 PolarHBondContact O-N 3.33Å; G224-K226 VanDerWaalsContact O-N 3.15Å | ||
| 225 | S | 57 | Low | 82.2 | Confident | 131 Ų | 131 | 45.7 Ų | 45.7 | 92% | 0.916 | 29% | 0.294 | S | S | * | . | trans | -73 | 12.4 | 163.4 | -166 | 0 | 0 | 0 | 0 | 113.1 | L223 | L223-S225 PolarHBondContact O-N 3.3Š| ||
| 226 | K | 64.5 | Low | 81.9 | Confident | 47 Ų | 47 | 51 Ų | 51 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | trans | -77.4 | 140.8 | -174.6 | -69.6 | -177 | 171.2 | -167.4 | 0 | 111 | G224 Q230 R231 M234 | G224-K226 PolarHBondContact O-N 3.33Å; G224-K226 VanDerWaalsContact O-N 3.15Å; K226-Q230 HydrophobicContact CB-CB 4.45Å; K226-Q230 HydrophobicContact CD-CG 4.2Å; K226-R231 HydrophobicContact CB-CG 4.21Å; K226-R231 WeakPolarHBondContact O-CD 3.34Å; K226-R231 PolarHBondContact O-NE 2.88Å; K226-M234 HydrophobicContact CD-CE 4.41Å; K226-M234 HydrophobicContact CD-SD 3.75Å | ||
| 227 | A | 65.9 | Low | 81.8 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 51% | 0.512 | 34% | 0.335 | S | S | . | . | trans | -57.4 | 151 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P229 Q230 R231 | A227-P229 VanDerWaalsContact C-N 3.34Å; A227-P229 HydrophobicContact CB-CG 4.32Å; A227-P229 VanDerWaalsContact O-N 3.16Å; A227-Q230 PolarHBondContact O-N 3.17Å; A227-Q230 VanDerWaalsContact O-N 3.07Å; A227-R231 PolarHBondContact O-N 2.99Å | ||
| 228 | S | 73.1 | Confident | 81.8 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -44.9 | -44.4 | 179.1 | -154.9 | 0 | 0 | 0 | 0 | 115.9 | R231 A232 | S228-R231 PolarHBondContact O-N 3.44Å; S228-A232 PolarHBondContact O-N 2.94Å; S228-A232 VanDerWaalsContact O-N 3.15Å |
| 229 | P | 78.3 | Confident | 81.9 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68.4 | -34.5 | -179.3 | 25.2 | -34.9 | 0 | 0 | 0 | 113.7 | A227 R231 A232 A233 | A227-P229 VanDerWaalsContact C-N 3.34Å; A227-P229 HydrophobicContact CB-CG 4.32Å; A227-P229 VanDerWaalsContact O-N 3.16Å; P229-R231 VanDerWaalsContact C-N 3.35Å; P229-A232 PolarHBondContact O-N 3.17Å; P229-A233 PolarHBondContact O-N 3.18Å |
| 230 | Q | 80.1 | Confident | 82 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 178.5 | -167.8 | 176.4 | 18.5 | 0 | 0 | 111.1 | K226 A227 A233 M234 | K226-Q230 HydrophobicContact CB-CB 4.45Å; K226-Q230 HydrophobicContact CD-CG 4.2Å; A227-Q230 PolarHBondContact O-N 3.17Å; A227-Q230 VanDerWaalsContact O-N 3.07Å; Q230-A233 PolarHBondContact O-N 3.4Å; Q230-M234 HydrophobicContact CG-SD 4.15Å; Q230-M234 WeakPolarHBondContact O-CG 3.41Å; Q230-M234 PolarHBondContact O-N 3.43Å |
| 231 | R | 81.5 | Confident | 82.2 | Confident | 94 Ų | 94 | 60 Ų | 60 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 173.9 | -65.2 | -176.7 | -61.3 | 164.4 | 5.9 | 112 | K226 A227 S228 P229 M234 S235 | K226-R231 HydrophobicContact CB-CG 4.21Å; K226-R231 WeakPolarHBondContact O-CD 3.34Å; K226-R231 PolarHBondContact O-NE 2.88Å; A227-R231 PolarHBondContact O-N 2.99Å; S228-R231 PolarHBondContact O-N 3.44Å; P229-R231 VanDerWaalsContact C-N 3.35Å; R231-M234 PolarHBondContact O-N 3.34Å; R231-S235 PolarHBondContact O-N 3.05Å |
| 232 | A | 85.4 | Confident | 82.6 | Confident | 50 Ų | 50 | 57 Ų | 57 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S228 P229 M234 S235 E236 | S228-A232 PolarHBondContact O-N 2.94Å; S228-A232 VanDerWaalsContact O-N 3.15Å; P229-A232 PolarHBondContact O-N 3.17Å; A232-M234 PolarHBondContact O-N 3.21Å; A232-S235 WeakPolarHBondContact O-CB 3.23Å; A232-S235 PolarHBondContact O-N 3.38Å; A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 3.39Å |
| 233 | A | 88.2 | Confident | 83.2 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P229 Q230 S235 E236 T237 | P229-A233 PolarHBondContact O-N 3.18Å; Q230-A233 PolarHBondContact O-N 3.4Å; A233-S235 VanDerWaalsContact C-N 3.34Å; A233-S235 PolarHBondContact O-N 3.49Å; A233-E236 PolarHBondContact O-N 2.61Å; A233-T237 PolarHBondContact O-N 3.26Å; A233-T237 PolarHBondContact O-OG1 3.06Å |
| 234 | M | 88.1 | Confident | 84.2 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.089 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 176.8 | -69.5 | 168.9 | 77.9 | 0 | 0 | 112.1 | M174 L220 K226 Q230 R231 A232 T237 L238 | M174-M234 HydrophobicContact CE-CB 3.89Å; M174-M234 HydrophobicContact CE-CE 3.11Å; M174-M234 HydrophobicContact CE-CG 4.09Å; M174-M234 HydrophobicContact CE-SD 4.45Å; L220-M234 HydrophobicContact CD1-CE 3.99Å; L220-M234 HydrophobicContact CD2-CE 3.38Å; L220-M234 HydrophobicContact CG-CE 4.3Å; K226-M234 HydrophobicContact CD-CE 4.41Å; K226-M234 HydrophobicContact CD-SD 3.75Å; Q230-M234 HydrophobicContact CG-SD 4.15Å; Q230-M234 WeakPolarHBondContact O-CG 3.41Å; Q230-M234 PolarHBondContact O-N 3.43Å; R231-M234 PolarHBondContact O-N 3.34Å; A232-M234 PolarHBondContact O-N 3.21Å; M234-T237 PolarHBondContact O-N 2.96Å; M234-L238 WeakPolarHBondContact O-CG 3.38Å; M234-L238 PolarHBondContact O-N 3.17Å |
| 235 | S | 91.4 | Very high | 85.8 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 11% | 0.112 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 174.1 | -171 | 0 | 0 | 0 | 0 | 112 | N217 R231 A232 A233 L238 A239 L249 | N217-S235 PolarHBondContact ND2-OG 2.95Å; R231-S235 PolarHBondContact O-N 3.05Å; A232-S235 WeakPolarHBondContact O-CB 3.23Å; A232-S235 PolarHBondContact O-N 3.38Å; A233-S235 VanDerWaalsContact C-N 3.34Å; A233-S235 PolarHBondContact O-N 3.49Å; S235-L238 PolarHBondContact O-N 3.44Å; S235-A239 PolarHBondContact O-N 3.29Å; S235-L249 VanDerWaalsContact O-CD2 3.3Å; S235-L249 WeakPolarHBondContact O-CD2 3.47Å |
| 236 | E | 92.6 | Very high | 87.6 | Confident | 112 Ų | 112 | 59.3 Ų | 59.3 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 174.2 | -73.7 | 173.8 | -176.6 | 0 | 0 | 111.1 | A232 A233 L238 A239 E240 | A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 3.39Å; A233-E236 PolarHBondContact O-N 2.61Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.22Å; E236-A239 WeakPolarHBondContact O-CB 3.39Å; E236-A239 PolarHBondContact O-N 3.09Å; E236-A239 VanDerWaalsContact O-N 3.15Å; E236-E240 WeakPolarHBondContact O-CG 3.28Å; E236-E240 PolarHBondContact O-N 3.28Å |
| 237 | T | 92.9 | Very high | 89.1 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 175.7 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | A233 M234 A239 E240 L241 | A233-T237 PolarHBondContact O-N 3.26Å; A233-T237 PolarHBondContact O-OG1 3.06Å; M234-T237 PolarHBondContact O-N 2.96Å; T237-A239 VanDerWaalsContact C-N 3.34Å; T237-A239 PolarHBondContact O-N 3.42Å; T237-E240 PolarHBondContact O-N 2.95Å; T237-L241 HydrophobicContact CG2-CD1 4.01Å; T237-L241 HydrophobicContact CG2-CG 4.38Å; T237-L241 WeakPolarHBondContact O-CB 3.39Å; T237-L241 VanDerWaalsContact O-CG 3.24Å; T237-L241 WeakPolarHBondContact O-CG 3.34Å; T237-L241 PolarHBondContact O-N 3.11Å |
| 238 | L | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.1 | -74.1 | 172.7 | 0 | 0 | 0 | 111.9 | F170 M174 A213 L216 N217 L220 M234 S235 E236 E240 L241 C242 L249 | F170-L238 HydrophobicContact CB-CD2 3.91Å; F170-L238 HydrophobicContact CD2-CD2 4.16Å; F170-L238 HydrophobicContact CG-CD2 4.08Å; M174-L238 HydrophobicContact CE-CD1 4.4Å; M174-L238 HydrophobicContact SD-CD2 3.99Å; M174-L238 HydrophobicContact SD-CG 4.39Å; A213-L238 HydrophobicContact CB-CB 4.38Å; L216-L238 HydrophobicContact CD2-CD2 3.89Å; L216-L238 HydrophobicContact CG-CD1 4.33Å; N217-L238 HydrophobicContact CB-CD1 3.93Å; L220-L238 HydrophobicContact CD1-CD1 4.12Å; M234-L238 WeakPolarHBondContact O-CG 3.38Å; M234-L238 PolarHBondContact O-N 3.17Å; S235-L238 PolarHBondContact O-N 3.44Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.22Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-L241 PolarHBondContact O-N 2.85Å; L238-C242 PolarHBondContact O-N 3.34Å; L238-C242 PolarHBondContact O-SG 2.85Å; L238-L249 HydrophobicContact CB-CD2 3.82Å |
| 239 | A | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S235 E236 T237 Q243 T244 P246 L249 | S235-A239 PolarHBondContact O-N 3.29Å; E236-A239 WeakPolarHBondContact O-CB 3.39Å; E236-A239 PolarHBondContact O-N 3.09Å; E236-A239 VanDerWaalsContact O-N 3.15Å; T237-A239 VanDerWaalsContact C-N 3.34Å; T237-A239 PolarHBondContact O-N 3.42Å; A239-Q243 PolarHBondContact O-N 3.35Å; A239-T244 HydrophobicContact CB-CG2 4.25Å; A239-T244 PolarHBondContact O-N 2.94Å; A239-P246 HydrophobicContact CB-CB 4.28Å; A239-P246 HydrophobicContact CB-CG 3.98Å; A239-L249 HydrophobicContact CB-CB 4.5Å; A239-L249 HydrophobicContact CB-CD2 3.93Å |
| 240 | E | 95.1 | Very high | 92.5 | Very high | 144 Ų | 144 | 54.4 Ų | 54.4 | 67% | 0.673 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 173.5 | -71.3 | 177.8 | 179.2 | 0 | 0 | 112 | E236 T237 L238 Q243 | E236-E240 WeakPolarHBondContact O-CG 3.28Å; E236-E240 PolarHBondContact O-N 3.28Å; T237-E240 PolarHBondContact O-N 2.95Å; L238-E240 VanDerWaalsContact C-N 3.34Å; E240-Q243 PolarHBondContact O-N 3.11Å |
| 241 | L | 94 | Very high | 93.3 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | -178.7 | -70.9 | 170.7 | 0 | 0 | 0 | 112.8 | I36 F170 T237 L238 | I36-L241 HydrophobicContact CD1-CD2 3.83Å; I36-L241 VanDerWaalsContact CG2-O 3.25Å; I36-L241 WeakPolarHBondContact CG2-O 3.29Å; F170-L241 HydrophobicContact CD1-CB 4.07Å; F170-L241 HydrophobicContact CD1-CD1 4.1Å; F170-L241 HydrophobicContact CE1-CB 3.82Å; T237-L241 HydrophobicContact CG2-CD1 4.01Å; T237-L241 HydrophobicContact CG2-CG 4.38Å; T237-L241 WeakPolarHBondContact O-CB 3.39Å; T237-L241 VanDerWaalsContact O-CG 3.24Å; T237-L241 WeakPolarHBondContact O-CG 3.34Å; T237-L241 PolarHBondContact O-N 3.11Å; L238-L241 PolarHBondContact O-N 2.85Å |
| 242 | C | 94.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 7 | 175 | 68.7 | 0 | 0 | 0 | 0 | 114.1 | F170 A213 L238 T244 | F170-C242 HydrophobicContact CZ-CB 4.08Å; A213-C242 HydrophobicContact CB-CB 4.18Å; L238-C242 PolarHBondContact O-N 3.34Å; L238-C242 PolarHBondContact O-SG 2.85Å; C242-T244 VanDerWaalsContact C-N 3.3Å; C242-T244 PolarHBondContact O-N 3.47Å; C242-T244 WeakPolarHBondContact SG-CG2 3.41Å |
| 243 | Q | 95.3 | Very high | 94.6 | Very high | 132 Ų | 132 | 49.6 Ų | 49.6 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.4 | 178.1 | -61 | -178.4 | 0.5 | 0 | 0 | 113.6 | L40 A239 E240 | L40-Q243 HydrophobicContact CD1-CB 4.35Å; L40-Q243 HydrophobicContact CD1-CG 3.67Å; A239-Q243 PolarHBondContact O-N 3.35Å; E240-Q243 PolarHBondContact O-N 3.11Å |
| 244 | T | 95.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | trans | -120.2 | 163.1 | 179.2 | -159.7 | 0 | 0 | 0 | 0 | 111.8 | L210 A239 C242 L249 | L210-T244 HydrophobicContact CD1-CG2 4.08Å; A239-T244 HydrophobicContact CB-CG2 4.25Å; A239-T244 PolarHBondContact O-N 2.94Å; C242-T244 VanDerWaalsContact C-N 3.3Å; C242-T244 PolarHBondContact O-N 3.47Å; C242-T244 WeakPolarHBondContact SG-CG2 3.41Å; T244-L249 HydrophobicContact CG2-CB 3.96Å | ||
| 245 | D | 96.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 53.9 Ų | 53.9 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | trans | -71.2 | 134.6 | 172.3 | -173.5 | -74.4 | 0 | 0 | 0 | 110 | A247 V248 L249 | D245-A247 PolarHBondContact O-N 2.91Å; D245-A247 VanDerWaalsContact O-N 3.12Å; D245-A247 WeakPolarHBondContact OD1-CA 3.49Å; D245-A247 WeakPolarHBondContact OD1-CB 3.4Å; D245-A247 PolarHBondContact OD1-N 2.95Å; D245-V248 HydrophobicContact CB-CB 4.41Å; D245-V248 HydrophobicContact CB-CG2 4.03Å; D245-V248 WeakPolarHBondContact O-CA 3.29Å; D245-V248 WeakPolarHBondContact O-CB 3.32Å; D245-V248 PolarHBondContact O-N 3.14Å; D245-L249 PolarHBondContact O-N 3.48Å; D245-L249 VanDerWaalsContact O-N 3.07Å | ||
| 246 | P | 95.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 53.3 Ų | 53.3 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -53.6 | -32.6 | 178.4 | -27.3 | 34.6 | 0 | 0 | 0 | 114.2 | A239 L249 Q250 | A239-P246 HydrophobicContact CB-CB 4.28Å; A239-P246 HydrophobicContact CB-CG 3.98Å; P246-L249 PolarHBondContact O-N 3.44Å; P246-Q250 VanDerWaalsContact O-CB 3.31Å; P246-Q250 WeakPolarHBondContact O-CB 3.13Å; P246-Q250 PolarHBondContact O-N 3.34Å |
| 247 | A | 96 | Very high | 95.5 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D245 C251 | D245-A247 PolarHBondContact O-N 2.91Å; D245-A247 VanDerWaalsContact O-N 3.12Å; D245-A247 WeakPolarHBondContact OD1-CA 3.49Å; D245-A247 WeakPolarHBondContact OD1-CB 3.4Å; D245-A247 PolarHBondContact OD1-N 2.95Å; A247-C251 WeakPolarHBondContact O-CB 3.46Å; A247-C251 PolarHBondContact O-N 2.86Å |
| 248 | V | 97 | Very high | 95.5 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.1 | -47.1 | 174.3 | 175.2 | 0 | 0 | 0 | 0 | 110 | L210 D245 Q250 C251 Y252 | L210-V248 HydrophobicContact CD1-CG1 4.36Å; L210-V248 HydrophobicContact CD2-CG1 4.03Å; D245-V248 HydrophobicContact CB-CB 4.41Å; D245-V248 HydrophobicContact CB-CG2 4.03Å; D245-V248 WeakPolarHBondContact O-CA 3.29Å; D245-V248 WeakPolarHBondContact O-CB 3.32Å; D245-V248 PolarHBondContact O-N 3.14Å; V248-Q250 VanDerWaalsContact C-N 3.31Å; V248-Q250 PolarHBondContact O-N 3.4Å; V248-C251 WeakPolarHBondContact O-CB 3.33Å; V248-C251 PolarHBondContact O-N 3.49Å; V248-Y252 HydrophobicContact CG1-CD2 4.08Å; V248-Y252 HydrophobicContact CG1-CE2 4.16Å; V248-Y252 WeakPolarHBondContact O-CD2 3.37Å; V248-Y252 PolarHBondContact O-N 3.5Å |
| 249 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 175 | 177.1 | 62 | 0 | 0 | 0 | 111.2 | L210 A213 A214 S235 L238 A239 T244 D245 P246 C251 Y252 S253 | L210-L249 HydrophobicContact CD1-CD1 4.19Å; A213-L249 HydrophobicContact CB-CD1 3.7Å; A214-L249 HydrophobicContact CB-CD1 4.01Å; S235-L249 VanDerWaalsContact O-CD2 3.3Å; S235-L249 WeakPolarHBondContact O-CD2 3.47Å; L238-L249 HydrophobicContact CB-CD2 3.82Å; A239-L249 HydrophobicContact CB-CB 4.5Å; A239-L249 HydrophobicContact CB-CD2 3.93Å; T244-L249 HydrophobicContact CG2-CB 3.96Å; D245-L249 PolarHBondContact O-N 3.48Å; D245-L249 VanDerWaalsContact O-N 3.07Å; P246-L249 PolarHBondContact O-N 3.44Å; L249-C251 VanDerWaalsContact C-N 3.35Å; L249-C251 PolarHBondContact O-N 3.39Å; L249-Y252 PolarHBondContact O-N 3.23Å; L249-S253 PolarHBondContact O-N 3.43Å; L249-S253 PolarHBondContact O-OG 3.12Å |
| 250 | Q | 95 | Very high | 95.1 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 178.3 | -179.7 | 64.9 | 16.1 | 0 | 0 | 112 | P246 V248 Y252 S253 E254 | P246-Q250 VanDerWaalsContact O-CB 3.31Å; P246-Q250 WeakPolarHBondContact O-CB 3.13Å; P246-Q250 PolarHBondContact O-N 3.34Å; V248-Q250 VanDerWaalsContact C-N 3.31Å; V248-Q250 PolarHBondContact O-N 3.4Å; Q250-Y252 PolarHBondContact O-N 2.93Å; Q250-S253 PolarHBondContact O-N 3.01Å; Q250-E254 PolarHBondContact NE2-OE1 3.38Å; Q250-E254 WeakPolarHBondContact O-CG 3.48Å; Q250-E254 PolarHBondContact O-N 2.96Å |
| 251 | C | 96.7 | Very high | 94.9 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 177 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | A247 V248 L249 S253 E254 M255 | A247-C251 WeakPolarHBondContact O-CB 3.46Å; A247-C251 PolarHBondContact O-N 2.86Å; V248-C251 WeakPolarHBondContact O-CB 3.33Å; V248-C251 PolarHBondContact O-N 3.49Å; L249-C251 VanDerWaalsContact C-N 3.35Å; L249-C251 PolarHBondContact O-N 3.39Å; C251-S253 PolarHBondContact O-N 2.94Å; C251-E254 PolarHBondContact O-N 3.15Å; C251-M255 WeakPolarHBondContact O-CG 3.41Å; C251-M255 PolarHBondContact O-N 3.48Å |
| 252 | Y | 97.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.3 | -88.2 | -101.7 | 0 | 0 | 0 | 112.5 | F203 A206 L210 I211 V248 L249 Q250 E254 M255 I256 | F203-Y252 AromaticContact CD1-CD1 3.74Å; F203-Y252 HydrophobicContact CD1-CD1 3.74Å; F203-Y252 AromaticContact CD1-CE1 3.8Å; F203-Y252 HydrophobicContact CD1-CE1 3.8Å; F203-Y252 AromaticContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CE1 4.27Å; A206-Y252 HydrophobicContact CB-CD1 4.49Å; A206-Y252 HydrophobicContact CB-CE1 3.5Å; L210-Y252 HydrophobicContact CD1-CD2 4.46Å; L210-Y252 HydrophobicContact CD1-CG 4.39Å; L210-Y252 HydrophobicContact CD2-CD1 4.08Å; L210-Y252 HydrophobicContact CD2-CD2 3.67Å; L210-Y252 HydrophobicContact CD2-CE1 4Å; L210-Y252 HydrophobicContact CD2-CE2 3.55Å; L210-Y252 HydrophobicContact CD2-CG 3.92Å; L210-Y252 HydrophobicContact CG-CD1 4.21Å; L210-Y252 HydrophobicContact CG-CD2 4.24Å; L210-Y252 HydrophobicContact CG-CG 4.05Å; I211-Y252 HydrophobicContact CD1-CD1 4.14Å; I211-Y252 HydrophobicContact CD1-CE1 4.25Å; V248-Y252 HydrophobicContact CG1-CD2 4.08Å; V248-Y252 HydrophobicContact CG1-CE2 4.16Å; V248-Y252 WeakPolarHBondContact O-CD2 3.37Å; V248-Y252 PolarHBondContact O-N 3.5Å; L249-Y252 PolarHBondContact O-N 3.23Å; Q250-Y252 PolarHBondContact O-N 2.93Å; Y252-E254 VanDerWaalsContact C-N 3.31Å; Y252-E254 PolarHBondContact O-N 3.42Å; Y252-M255 HydrophobicContact CD1-CE 3.65Å; Y252-M255 HydrophobicContact CD2-CE 4.09Å; Y252-M255 HydrophobicContact CE1-CE 3.74Å; Y252-M255 HydrophobicContact CE2-CE 4.2Å; Y252-M255 HydrophobicContact CG-CE 3.84Å; Y252-M255 PolarHBondContact O-N 3.23Å; Y252-I256 VanDerWaalsContact O-CG1 3.29Å; Y252-I256 WeakPolarHBondContact O-CG1 3.39Å; Y252-I256 PolarHBondContact O-N 2.94Å |
| 253 | S | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 174.2 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | A214 N217 C218 L249 Q250 C251 I256 E257 | A214-S253 PolarHBondContact O-OG 3.26Å; N217-S253 WeakPolarHBondContact CB-OG 3.32Å; N217-S253 PolarHBondContact ND2-OG 2.99Å; C218-S253 VanDerWaalsContact SG-C 3.59Å; C218-S253 WeakPolarHBondContact SG-CA 3.27Å; C218-S253 VanDerWaalsContact SG-CB 3.55Å; C218-S253 PolarHBondContact SG-O 3.46Å; L249-S253 PolarHBondContact O-N 3.43Å; L249-S253 PolarHBondContact O-OG 3.12Å; Q250-S253 PolarHBondContact O-N 3.01Å; C251-S253 PolarHBondContact O-N 2.94Å; S253-I256 PolarHBondContact O-N 3.32Å; S253-E257 PolarHBondContact O-N 2.76Å |
| 254 | E | 95.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 62.5 Ų | 62.5 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 177 | -72 | 173.4 | -176 | 0 | 0 | 112.5 | Q250 C251 Y252 I256 E257 F258 | Q250-E254 PolarHBondContact NE2-OE1 3.38Å; Q250-E254 WeakPolarHBondContact O-CG 3.48Å; Q250-E254 PolarHBondContact O-N 2.96Å; C251-E254 PolarHBondContact O-N 3.15Å; Y252-E254 VanDerWaalsContact C-N 3.31Å; Y252-E254 PolarHBondContact O-N 3.42Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 3.02Å; E254-E257 PolarHBondContact O-N 2.92Å; E254-F258 WeakPolarHBondContact O-CB 3.36Å; E254-F258 PolarHBondContact O-N 2.93Å |
| 255 | M | 96 | Very high | 93.3 | Very high | 54 Ų | 54 | 67.1 Ų | 67.1 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.6 | -67.8 | -166.3 | -45.8 | 0 | 0 | 111.7 | F203 C251 Y252 F258 S259 | F203-M255 HydrophobicContact CD1-CE 4.26Å; F203-M255 HydrophobicContact CE1-CB 4.27Å; F203-M255 HydrophobicContact CE1-CE 3.78Å; F203-M255 HydrophobicContact CZ-CB 3.96Å; F203-M255 HydrophobicContact CZ-CE 4.32Å; C251-M255 WeakPolarHBondContact O-CG 3.41Å; C251-M255 PolarHBondContact O-N 3.48Å; Y252-M255 HydrophobicContact CD1-CE 3.65Å; Y252-M255 HydrophobicContact CD2-CE 4.09Å; Y252-M255 HydrophobicContact CE1-CE 3.74Å; Y252-M255 HydrophobicContact CE2-CE 4.2Å; Y252-M255 HydrophobicContact CG-CE 3.84Å; Y252-M255 PolarHBondContact O-N 3.23Å; M255-F258 PolarHBondContact O-N 2.9Å; M255-S259 WeakPolarHBondContact O-CB 3.48Å; M255-S259 PolarHBondContact O-N 3.17Å; M255-S259 PolarHBondContact O-OG 3.4Å |
| 256 | I | 96.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 176.6 | -66.5 | 173 | 0 | 0 | 0 | 110.3 | L193 C197 F203 A214 C218 Y252 S253 E254 F258 S259 L260 | L193-I256 HydrophobicContact CB-CG2 4.22Å; L193-I256 HydrophobicContact CD1-CG2 4.37Å; L193-I256 HydrophobicContact CD2-CG2 3.83Å; L193-I256 HydrophobicContact CG-CG2 4.36Å; C197-I256 WeakPolarHBondContact SG-CD1 3.36Å; C197-I256 WeakPolarHBondContact SG-CG1 3.48Å; F203-I256 HydrophobicContact CE1-CD1 4.41Å; F203-I256 HydrophobicContact CE1-CG1 3.72Å; F203-I256 HydrophobicContact CZ-CG1 3.64Å; A214-I256 HydrophobicContact CB-CD1 3.64Å; C218-I256 HydrophobicContact CB-CG2 4.37Å; Y252-I256 VanDerWaalsContact O-CG1 3.29Å; Y252-I256 WeakPolarHBondContact O-CG1 3.39Å; Y252-I256 PolarHBondContact O-N 2.94Å; S253-I256 PolarHBondContact O-N 3.32Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 3.02Å; I256-F258 VanDerWaalsContact C-N 3.32Å; I256-F258 PolarHBondContact O-N 2.94Å; I256-S259 PolarHBondContact O-N 3.25Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 PolarHBondContact O-N 3.39Å |
| 257 | E | 93.5 | Very high | 90.6 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 15% | 0.15 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 177.8 | -76.9 | -174.7 | -173.9 | 0 | 0 | 112.4 | R221 S253 E254 L260 R261 | R221-E257 IonicContact CZ-OE1 3.17Å; R221-E257 IonicContact CZ-OE2 2.82Å; R221-E257 IonicContact NE-OE1 3.81Å; R221-E257 PolarHBondContact NE-OE1 3.03Å; R221-E257 IonicContact NH2-OE1 3.08Å; R221-E257 PolarHBondContact NH2-OE1 3.44Å; R221-E257 IonicContact NH2-OE2 2.71Å; R221-E257 PolarHBondContact NH2-OE2 2.99Å; S253-E257 PolarHBondContact O-N 2.76Å; E254-E257 PolarHBondContact O-N 2.92Å; E257-L260 PolarHBondContact O-N 3.21Å; E257-R261 VanDerWaalsContact O-CG 3.32Å; E257-R261 WeakPolarHBondContact O-CG 3.46Å; E257-R261 PolarHBondContact O-N 2.86Å; E257-R261 IonicContact OE2-NH2 3.02Å; E257-R261 PolarHBondContact OE2-NH2 2.86Å |
| 258 | F | 92.6 | Very high | 88.3 | Confident | 116 Ų | 116 | 70 Ų | 70 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.9 | 177.9 | -93.5 | 0 | 0 | 0 | 111.4 | E254 M255 I256 L260 R261 Q262 | E254-F258 WeakPolarHBondContact O-CB 3.36Å; E254-F258 PolarHBondContact O-N 2.93Å; M255-F258 PolarHBondContact O-N 2.9Å; I256-F258 VanDerWaalsContact C-N 3.32Å; I256-F258 PolarHBondContact O-N 2.94Å; F258-L260 VanDerWaalsContact C-N 3.34Å; F258-L260 PolarHBondContact O-N 3.23Å; F258-R261 PolarHBondContact O-N 3.18Å; F258-Q262 PolarHBondContact O-N 2.75Å |
| 259 | S | 91.3 | Very high | 85.5 | Confident | 9 Ų | 9 | 74.2 Ų | 74.2 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | R202 M255 I256 Q262 R263 | R202-S259 PolarHBondContact NH2-OG 3.08Å; M255-S259 WeakPolarHBondContact O-CB 3.48Å; M255-S259 PolarHBondContact O-N 3.17Å; M255-S259 PolarHBondContact O-OG 3.4Å; I256-S259 PolarHBondContact O-N 3.25Å; S259-Q262 PolarHBondContact O-N 3.31Å; S259-R263 WeakPolarHBondContact O-CG 3.16Å; S259-R263 PolarHBondContact O-N 3.33Å; S259-R263 VanDerWaalsContact O-N 3.14Å |
| 260 | L | 91.1 | Very high | 82.6 | Confident | 64 Ų | 64 | 79.4 Ų | 79.4 | 34% | 0.335 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 174.8 | -179.4 | 66.4 | 0 | 0 | 0 | 111.3 | L193 L196 I256 E257 F258 Q262 R263 L264 | L193-L260 HydrophobicContact CD2-CD2 4.16Å; L196-L260 HydrophobicContact CD1-CD1 4Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 PolarHBondContact O-N 3.39Å; E257-L260 PolarHBondContact O-N 3.21Å; F258-L260 VanDerWaalsContact C-N 3.34Å; F258-L260 PolarHBondContact O-N 3.23Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.11Å; L260-R263 PolarHBondContact O-N 3.01Å; L260-L264 HydrophobicContact CD1-CD1 4.42Å; L260-L264 HydrophobicContact CD1-CG 4.5Å; L260-L264 HydrophobicContact CG-CD1 4.1Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.84Å |
| 261 | R | 90.6 | Very high | 79.6 | Confident | 144 Ų | 144 | 79.2 Ų | 79.2 | 54% | 0.543 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 178.5 | -73.6 | 175.1 | -171.2 | 151.9 | 13.6 | 112 | E257 F258 L264 Q265 | E257-R261 VanDerWaalsContact O-CG 3.32Å; E257-R261 WeakPolarHBondContact O-CG 3.46Å; E257-R261 PolarHBondContact O-N 2.86Å; E257-R261 IonicContact OE2-NH2 3.02Å; E257-R261 PolarHBondContact OE2-NH2 2.86Å; F258-R261 PolarHBondContact O-N 3.18Å; R261-L264 PolarHBondContact O-N 3.47Å; R261-Q265 VanDerWaalsContact O-CG 3.27Å; R261-Q265 WeakPolarHBondContact O-CG 3.34Å; R261-Q265 PolarHBondContact O-N 3.4Å |
| 262 | Q | 88.5 | Confident | 76.6 | Confident | 106 Ų | 106 | 82.5 Ų | 82.5 | 50% | 0.495 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 178.1 | -171 | -179 | 10.3 | 0 | 0 | 111.6 | F258 S259 L260 Q265 S266 | F258-Q262 PolarHBondContact O-N 2.75Å; S259-Q262 PolarHBondContact O-N 3.31Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.11Å; Q262-Q265 PolarHBondContact O-N 3.46Å; Q262-S266 PolarHBondContact O-N 2.81Å; Q262-S266 PolarHBondContact O-OG 3.35Å |
| 263 | R | 85.9 | Confident | 73.5 | Confident | 84 Ų | 84 | 86 Ų | 86 | 32% | 0.317 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.6 | -71.3 | -175.8 | -173.7 | -139.6 | 7.1 | 112.9 | S259 L260 Q265 S266 G267 | S259-R263 WeakPolarHBondContact O-CG 3.16Å; S259-R263 PolarHBondContact O-N 3.33Å; S259-R263 VanDerWaalsContact O-N 3.14Å; L260-R263 PolarHBondContact O-N 3.01Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.98Å; R263-S266 WeakPolarHBondContact CA-OG 3.46Å; R263-S266 PolarHBondContact O-N 3.11Å; R263-S266 PolarHBondContact O-OG 3.3Å; R263-G267 PolarHBondContact O-N 3.24Å |
| 264 | L | 86.3 | Confident | 70.6 | Confident | 104 Ų | 104 | 94.7 Ų | 94.7 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 175.3 | -68.8 | 172.2 | 0 | 0 | 0 | 111.4 | L260 R261 L268 | L260-L264 HydrophobicContact CD1-CD1 4.42Å; L260-L264 HydrophobicContact CD1-CG 4.5Å; L260-L264 HydrophobicContact CG-CD1 4.1Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.84Å; R261-L264 PolarHBondContact O-N 3.47Å; L264-L268 WeakPolarHBondContact O-CD1 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.34Å; L264-L268 PolarHBondContact O-N 3.16Å |
| 265 | Q | 85 | Confident | 67.8 | Low | 136 Ų | 136 | 99.3 Ų | 99.3 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.5 | -39.4 | 176.4 | -71.5 | 171 | 8 | 0 | 0 | 112.6 | R261 Q262 R263 L268 | R261-Q265 VanDerWaalsContact O-CG 3.27Å; R261-Q265 WeakPolarHBondContact O-CG 3.34Å; R261-Q265 PolarHBondContact O-N 3.4Å; Q262-Q265 PolarHBondContact O-N 3.46Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.98Å; Q265-L268 PolarHBondContact O-N 3.43Å |
| 266 | S | 76.1 | Confident | 64.7 | Low | 78 Ų | 78 | 104.3 Ų | 104.3 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.8 | -33.2 | 176.2 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | Q262 R263 L268 Q269 | Q262-S266 PolarHBondContact O-N 2.81Å; Q262-S266 PolarHBondContact O-OG 3.35Å; R263-S266 WeakPolarHBondContact CA-OG 3.46Å; R263-S266 PolarHBondContact O-N 3.11Å; R263-S266 PolarHBondContact O-OG 3.3Å; S266-L268 VanDerWaalsContact C-N 3.26Å; S266-L268 PolarHBondContact O-N 3.32Å; S266-Q269 PolarHBondContact O-N 2.97Å |
| 267 | G | 60.4 | Low | 61.9 | Low | 65 Ų | 65 | 112.6 Ų | 112.6 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.3 | -14 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R263 | R263-G267 PolarHBondContact O-N 3.24Å |
| 268 | L | 46.7 | Very low | 59.1 | Low | 141 Ų | 141 | 119.9 Ų | 119.9 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -1.3 | 176.5 | -77.4 | 163.3 | 0 | 0 | 0 | 113.6 | L264 Q265 S266 P270 | L264-L268 WeakPolarHBondContact O-CD1 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.34Å; L264-L268 PolarHBondContact O-N 3.16Å; Q265-L268 PolarHBondContact O-N 3.43Å; S266-L268 VanDerWaalsContact C-N 3.26Å; S266-L268 PolarHBondContact O-N 3.32Å; L268-P270 WeakPolarHBondContact O-CD 3.39Å |
| 269 | Q | 37.9 | Very low | 56.5 | Low | 148 Ų | 148 | 120.6 Ų | 120.6 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -72.6 | 118.5 | 169 | -69.6 | -81.6 | -5.3 | 0 | 0 | 107.8 | S266 G271 | S266-Q269 PolarHBondContact O-N 2.97Å; Q269-G271 PolarHBondContact O-N 3.26Å |
| 270 | P | 37.1 | Very low | 53.9 | Low | 109 Ų | 109 | 128.5 Ų | 128.5 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.9 | 168.3 | 24.6 | -28.8 | 0 | 0 | 0 | 107.1 | L268 | L268-P270 WeakPolarHBondContact O-CD 3.39Š|
| 271 | G | 31.6 | Very low | 51.2 | Low | 57 Ų | 57 | 133 Ų | 133 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 152.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q269 T273 | Q269-G271 PolarHBondContact O-N 3.26Å; G271-T273 PolarHBondContact O-N 2.83Å |
| 272 | P | 33.2 | Very low | 48.7 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -53.1 | 112.4 | -178 | 24.1 | -32.8 | 0 | 0 | 0 | 108.1 | E274 | P272-E274 PolarHBondContact O-N 3.05Š| ||
| 273 | T | 32.4 | Very low | 46.4 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -44.3 | 118 | 168.4 | 40.1 | 0 | 0 | 0 | 0 | 106.9 | G271 K275 | G271-T273 PolarHBondContact O-N 2.83Å; T273-K275 PolarHBondContact O-N 3.06Å | ||
| 274 | E | 35.1 | Very low | 44.1 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -41.4 | 119.8 | 163.2 | -69.6 | 179 | 153.6 | 0 | 0 | 106.3 | P272 D276 | P272-E274 PolarHBondContact O-N 3.05Å; E274-D276 PolarHBondContact O-N 2.81Å | ||
| 275 | K | 35.8 | Very low | 41.5 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -58.5 | 115.3 | 170.2 | -71.7 | 179 | 175.5 | 178.6 | 0 | 104.8 | T273 E277 | T273-K275 PolarHBondContact O-N 3.06Å; K275-E277 VanDerWaalsContact C-N 3.26Å; K275-E277 PolarHBondContact O-N 2.98Å | ||
| 276 | D | 32.5 | Very low | 39.2 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -45.6 | 99.6 | 159.6 | -80.6 | -45 | 0 | 0 | 0 | 106.8 | E274 E278 | E274-D276 PolarHBondContact O-N 2.81Å; D276-E278 PolarHBondContact O-N 3.16Å; D276-E278 VanDerWaalsContact O-N 3.16Å | ||
| 277 | E | 36 | Very low | 38 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -65.7 | 109.7 | 155.7 | -76.3 | -167.1 | 158.8 | 0 | 0 | 104.6 | K275 V279 | K275-E277 VanDerWaalsContact C-N 3.26Å; K275-E277 PolarHBondContact O-N 2.98Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 2.81Å | ||
| 278 | E | 34.6 | Very low | 37 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -51.4 | 98.5 | 169.7 | -69.1 | 179.5 | 150.5 | 0 | 0 | 108.5 | D276 E280 | D276-E278 PolarHBondContact O-N 3.16Å; D276-E278 VanDerWaalsContact O-N 3.16Å; E278-E280 PolarHBondContact O-N 3.2Å | ||
| 279 | V | 37.5 | Very low | 36.6 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -66.8 | 99.4 | 167.1 | 176.2 | 0 | 0 | 0 | 0 | 106.2 | E277 N281 | E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 2.81Å; V279-N281 PolarHBondContact O-N 2.99Å | ||
| 280 | E | 37.2 | Very low | 37.1 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -55 | 122.5 | 166.7 | -81.5 | -166.9 | 144.4 | 0 | 0 | 109 | E278 E282 | E278-E280 PolarHBondContact O-N 3.2Å; E280-E282 PolarHBondContact O-N 2.95Å | ||
| 281 | N | 34.9 | Very low | 37.3 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -63.9 | 91.3 | 177.4 | -102 | -44 | 0 | 0 | 0 | 111 | V279 R283 | V279-N281 PolarHBondContact O-N 2.99Å; N281-R283 PolarHBondContact O-N 3.35Å | ||
| 282 | E | 37.2 | Very low | 37.8 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -79.7 | 108.1 | 160.1 | -72.2 | -154.9 | 149.9 | 0 | 0 | 110.1 | E280 | E280-E282 PolarHBondContact O-N 2.95Š| ||
| 283 | R | 41.2 | Very low | 38.4 | Very low | 231 Ų | 231 | 159.4 Ų | 159.4 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -62.6 | 140.9 | 175.3 | -70 | 172.9 | 173.8 | 170.7 | -1.4 | 110.9 | N281 G285 | N281-R283 PolarHBondContact O-N 3.35Å; R283-G285 PolarHBondContact O-N 3.35Å | ||
| 284 | P | 36.3 | Very low | 38.7 | Very low | 138 Ų | 138 | 160.9 Ų | 160.9 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | -76.1 | 118.7 | 172.6 | 29.3 | -30.4 | 0 | 0 | 0 | 110.5 | ||||
| 285 | G | 33.7 | Very low | 39.5 | Very low | 78 Ų | 78 | 165 Ų | 165 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -132.9 | 104.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R283 | R283-G285 PolarHBondContact O-N 3.35Š| ||
| 286 | T | 35.1 | Very low | 39.7 | Very low | 138 Ų | 138 | 163.5 Ų | 163.5 | 85% | 0.847 | 84% | 0.839 | S | S | * | * | trans | -90.9 | 165.2 | 160.5 | 40.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 287 | P | 51.3 | Low | 40 | Very low | 109 Ų | 109 | 163.6 Ų | 163.6 | 71% | 0.708 | 84% | 0.838 | S | S | * | * | cis | -134.3 | -170.4 | -26.7 | 32.8 | -12.3 | 0 | 0 | 0 | 111.8 | ||||
| 288 | T | 40 | Very low | 40.3 | Very low | 128 Ų | 128 | 162.8 Ų | 162.8 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | trans | 102.9 | 102.9 | 158 | -25.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 289 | D | 37.6 | Very low | 40.6 | Very low | 148 Ų | 148 | 161.5 Ų | 161.5 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | -163.7 | 130.2 | 101.8 | -136 | -14.4 | 0 | 0 | 0 | 111.6 | |||||
| 290 | M | 49 | Very low | 40.8 | Very low | 169 Ų | 169 | 163.4 Ų | 163.4 | 83% | 0.833 | 84% | 0.839 | S | S | * | * | trans | -84.8 | 134.5 | 170.8 | -96.9 | -174.1 | -82.9 | 0 | 0 | 108.7 | ||||
| 291 | R | 41.8 | Very low | 41 | Very low | 222 Ų | 222 | 162.6 Ų | 162.6 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | 163.3 | 134.3 | 152.2 | -90.3 | 159.3 | -150.1 | -142.6 | 8.9 | 106.1 | ||||
| 292 | E | 41 | Very low | 41.5 | Very low | 160 Ų | 160 | 162.9 Ų | 162.9 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | cis | -153.8 | 146.8 | 15.2 | -100 | 151.2 | -166.2 | 0 | 0 | 107 | ||||
| 293 | I | 46.1 | Very low | 41.8 | Very low | 147 Ų | 147 | 160.8 Ų | 160.8 | 75% | 0.754 | 84% | 0.836 | S | S | * | * | trans | -89.1 | 125.1 | 167.2 | -63.7 | 164 | 0 | 0 | 0 | 105.8 | ||||
| 294 | D | 39.7 | Very low | 41.8 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -116.2 | 133.5 | 157.6 | -85.6 | -32.1 | 0 | 0 | 0 | 108.6 | ||||
| 295 | F | 50.3 | Low | 42.3 | Very low | 268 Ų | 268 | 156.5 Ų | 156.5 | 100% | 1.175 | 83% | 0.828 | S | S | * | * | trans | -67.4 | 0 | -168.5 | -70.7 | -92.1 | 0 | 0 | 0 | 114.7 |
Retrieved 295 of 295 residues in 512.8 ms
(Link to these results)