| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.2 | Very low | 31.9 | Very low | 238 Ų | 238 | 137.4 Ų | 137.4 | 100% | 1.172 | 79% | 0.791 | S | S | * | * | 0 | 96.6 | 0 | -70.9 | 159.9 | 92.6 | 0 | 0 | 106 | |||||
| 2 | S | 28.5 | Very low | 31.8 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | 74.8 | 123.2 | 104.1 | -114.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3 | S | 30.1 | Very low | 31.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | -166.3 | 143.8 | 12.6 | -64.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | A | 34.5 | Very low | 31.7 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -83.3 | 160.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 5 | P | 43.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | -156.2 | 160.4 | 80.7 | 38.8 | -18.3 | 0 | 0 | 0 | 117.4 | |||||
| 6 | N | 33.2 | Very low | 31.5 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 54.1 | 147.2 | 138.8 | -75.1 | -9 | 0 | 0 | 0 | 121 | ||||
| 7 | H | 32 | Very low | 31.7 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | cis | -170.2 | 150.7 | 24.3 | -120.7 | -41.7 | 0 | 0 | 0 | 111.4 | ||||
| 8 | R | 28.6 | Very low | 31.8 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | 78.6 | 116.3 | 140.6 | -71 | 173.9 | -177.4 | -165.1 | -1.4 | 123.1 | ||||
| 9 | N | 27.1 | Very low | 32 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | 52.7 | 139.7 | 124.8 | -58.1 | 2.5 | 0 | 0 | 0 | 119.3 | |||||
| 10 | A | 29.5 | Very low | 31.9 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | cis | -155.9 | 161.7 | 6.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 11 | T | 30 | Very low | 32.2 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | -176.6 | 139.4 | 81.5 | -41 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 12 | E | 30.4 | Very low | 32.2 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -59.6 | 144.4 | 178.7 | -63.5 | 157.7 | 119.9 | 0 | 0 | 113.7 | ||||
| 13 | T | 31.2 | Very low | 32.5 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -146.6 | 114.1 | 130.7 | 26.1 | 0 | 0 | 0 | 0 | 108.9 | G15 | T13-G15 PolarHBondContact O-N 3.44Š| ||
| 14 | T | 30.3 | Very low | 32.9 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -78.4 | 104.9 | -176.9 | 32.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 15 | G | 29.5 | Very low | 33.1 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -94.4 | 93.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T13 | T13-G15 PolarHBondContact O-N 3.44Š| ||
| 16 | L | 32.1 | Very low | 33 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -60.8 | 135.4 | 172.5 | -80.7 | 154.3 | 0 | 0 | 0 | 111.1 | R18 | L16-R18 PolarHBondContact O-N 3.3Š| ||
| 17 | P | 34.8 | Very low | 33.2 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -72.6 | 118.7 | 172.1 | 28.4 | -30.1 | 0 | 0 | 0 | 109.4 | K19 | P17-K19 PolarHBondContact O-N 3.05Š| ||
| 18 | R | 32.4 | Very low | 33.3 | Very low | 238 Ų | 238 | 128.6 Ų | 128.6 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | trans | -59.3 | 99.7 | 169.5 | -87.6 | -179.6 | 170.3 | 175 | -2.5 | 109.3 | L16 H20 | L16-R18 PolarHBondContact O-N 3.3Å; R18-H20 PolarHBondContact O-N 2.92Å | ||
| 19 | K | 35.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 124.7 Ų | 124.7 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | -62 | 104.1 | 160.8 | -85.5 | -178.8 | 175.1 | 178.3 | 0 | 107.9 | P17 I21 | P17-K19 PolarHBondContact O-N 3.05Å; K19-I21 VanDerWaalsContact C-N 3.33Å; K19-I21 PolarHBondContact O-N 3.25Å | ||
| 20 | H | 30.8 | Very low | 34.8 | Very low | 178 Ų | 178 | 120.4 Ų | 120.4 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | -61.3 | 100.1 | 157.4 | -95.2 | -97.3 | 0 | 0 | 0 | 107.3 | R18 S22 | R18-H20 PolarHBondContact O-N 2.92Å; H20-S22 PolarHBondContact O-N 2.99Å | ||
| 21 | I | 37.4 | Very low | 35.3 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | trans | -69.3 | 114.5 | 172.7 | -64.9 | 173.4 | 0 | 0 | 0 | 106.9 | K19 A23 | K19-I21 VanDerWaalsContact C-N 3.33Å; K19-I21 PolarHBondContact O-N 3.25Å; I21-A23 PolarHBondContact O-N 2.94Å | ||
| 22 | S | 34.6 | Very low | 35.9 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | trans | -56.1 | 95.8 | -179.9 | -57 | 0 | 0 | 0 | 0 | 112.5 | H20 V24 | H20-S22 PolarHBondContact O-N 2.99Å; S22-V24 PolarHBondContact O-N 3.11Å; S22-V24 VanDerWaalsContact O-N 3.11Å | ||
| 23 | A | 35.4 | Very low | 36.8 | Very low | 92 Ų | 92 | 119.8 Ų | 119.8 | 76% | 0.76 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -6.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I21 | I21-A23 PolarHBondContact O-N 2.94Š|
| 24 | V | 39.3 | Very low | 37.8 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -85.4 | -11.5 | -177 | -179.5 | 0 | 0 | 0 | 0 | 113.4 | S22 | S22-V24 PolarHBondContact O-N 3.11Å; S22-V24 VanDerWaalsContact O-N 3.11Å |
| 25 | S | 37.5 | Very low | 38.4 | Very low | 57 Ų | 57 | 117.3 Ų | 117.3 | 40% | 0.399 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -86.2 | -33.5 | -176.1 | -168.3 | 0 | 0 | 0 | 0 | 114.2 | H29 | S25-H29 PolarHBondContact O-N 2.96Å; S25-H29 VanDerWaalsContact O-N 3.07Å; S25-H29 PolarHBondContact O-ND1 3.27Å; S25-H29 PolarHBondContact OG-CE1 3.47Å; S25-H29 VanDerWaalsContact OG-CE1 3.27Å; S25-H29 PolarHBondContact OG-ND1 3.2Å |
| 26 | V | 42.2 | Very low | 39.4 | Very low | 108 Ų | 108 | 122 Ų | 122 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.7 | -43.7 | -173.8 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | G28 H29 V30 | V26-G28 VanDerWaalsContact C-N 3.34Å; V26-G28 PolarHBondContact O-N 3.46Å; V26-H29 PolarHBondContact O-N 2.77Å; V26-V30 HydrophobicContact CG1-CG2 4.33Å; V26-V30 VanDerWaalsContact O-CB 3.31Å; V26-V30 WeakPolarHBondContact O-CB 3.23Å; V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 3.07Å |
| 27 | A | 36.3 | Very low | 40.5 | Very low | 64 Ų | 64 | 117.1 Ų | 117.1 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.1 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V30 Q31 | A27-V30 PolarHBondContact O-N 3.47Å; A27-Q31 VanDerWaalsContact O-CB 3.23Å; A27-Q31 WeakPolarHBondContact O-CB 3.31Å; A27-Q31 PolarHBondContact O-N 2.88Å |
| 28 | G | 34.9 | Very low | 42 | Very low | 35 Ų | 35 | 117.7 Ų | 117.7 | 36% | 0.361 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.5 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V26 Q31 Q32 | V26-G28 VanDerWaalsContact C-N 3.34Å; V26-G28 PolarHBondContact O-N 3.46Å; G28-Q31 PolarHBondContact O-N 2.95Å; G28-Q32 WeakPolarHBondContact O-CB 3.06Å; G28-Q32 PolarHBondContact O-N 3.48Å |
| 29 | H | 40.6 | Very low | 44.1 | Very low | 114 Ų | 114 | 110.6 Ų | 110.6 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.5 | -38.9 | 175.7 | -76.8 | 88.3 | 0 | 0 | 0 | 112.2 | S25 V26 Q31 Q32 V33 | S25-H29 PolarHBondContact O-N 2.96Å; S25-H29 VanDerWaalsContact O-N 3.07Å; S25-H29 PolarHBondContact O-ND1 3.27Å; S25-H29 PolarHBondContact OG-CE1 3.47Å; S25-H29 VanDerWaalsContact OG-CE1 3.27Å; S25-H29 PolarHBondContact OG-ND1 3.2Å; V26-H29 PolarHBondContact O-N 2.77Å; H29-Q31 VanDerWaalsContact C-N 3.34Å; H29-Q32 PolarHBondContact O-N 2.88Å; H29-V33 WeakPolarHBondContact O-CB 3.46Å; H29-V33 WeakPolarHBondContact O-CG2 3.39Å; H29-V33 PolarHBondContact O-N 2.9Å |
| 30 | V | 46.7 | Very low | 46.2 | Very low | 69 Ų | 69 | 104.7 Ų | 104.7 | 42% | 0.418 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.4 | -44.8 | 173.6 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | V26 A27 V33 F34 | V26-V30 HydrophobicContact CG1-CG2 4.33Å; V26-V30 VanDerWaalsContact O-CB 3.31Å; V26-V30 WeakPolarHBondContact O-CB 3.23Å; V26-V30 WeakPolarHBondContact O-CG2 3.13Å; V26-V30 PolarHBondContact O-N 3.07Å; A27-V30 PolarHBondContact O-N 3.47Å; V30-V33 PolarHBondContact O-N 2.75Å; V30-F34 HydrophobicContact CG1-CD2 3.51Å; V30-F34 HydrophobicContact CG1-CE2 3.43Å; V30-F34 VanDerWaalsContact CG1-CE2 3.43Å; V30-F34 WeakPolarHBondContact O-CB 3.2Å; V30-F34 WeakPolarHBondContact O-CD2 3.47Å; V30-F34 PolarHBondContact O-N 3.38Å |
| 31 | Q | 39.3 | Very low | 48.4 | Very low | 147 Ų | 147 | 98.8 Ų | 98.8 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.7 | -34.5 | -179.8 | -164.3 | 150.7 | -21.5 | 0 | 0 | 113.3 | A27 G28 H29 F34 S35 | A27-Q31 VanDerWaalsContact O-CB 3.23Å; A27-Q31 WeakPolarHBondContact O-CB 3.31Å; A27-Q31 PolarHBondContact O-N 2.88Å; G28-Q31 PolarHBondContact O-N 2.95Å; H29-Q31 VanDerWaalsContact C-N 3.34Å; Q31-F34 PolarHBondContact O-N 2.89Å; Q31-S35 WeakPolarHBondContact O-CB 3.42Å; Q31-S35 PolarHBondContact O-N 3.48Å |
| 32 | Q | 43.3 | Very low | 50.4 | Low | 130 Ų | 130 | 95.9 Ų | 95.9 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 171 | -101.2 | -179.6 | -44.3 | 0 | 0 | 112.5 | G28 H29 F34 S35 H36 | G28-Q32 WeakPolarHBondContact O-CB 3.06Å; G28-Q32 PolarHBondContact O-N 3.48Å; H29-Q32 PolarHBondContact O-N 2.88Å; Q32-F34 VanDerWaalsContact C-N 3.34Å; Q32-S35 PolarHBondContact O-N 3.44Å; Q32-S35 PolarHBondContact O-OG 3.08Å; Q32-H36 PolarHBondContact O-N 3.36Å |
| 33 | V | 50 | Low | 52.8 | Low | 98 Ų | 98 | 94.7 Ų | 94.7 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 174.8 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | H29 V30 V37 | H29-V33 WeakPolarHBondContact O-CB 3.46Å; H29-V33 WeakPolarHBondContact O-CG2 3.39Å; H29-V33 PolarHBondContact O-N 2.9Å; V30-V33 PolarHBondContact O-N 2.75Å; V33-V37 WeakPolarHBondContact O-CG2 3.33Å; V33-V37 PolarHBondContact O-N 3.22Å |
| 34 | F | 50.5 | Low | 55 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -28.6 | 174.4 | -80.6 | -64.2 | 0 | 0 | 0 | 113.4 | V30 Q31 Q32 H36 V37 | V30-F34 HydrophobicContact CG1-CD2 3.51Å; V30-F34 HydrophobicContact CG1-CE2 3.43Å; V30-F34 VanDerWaalsContact CG1-CE2 3.43Å; V30-F34 WeakPolarHBondContact O-CB 3.2Å; V30-F34 WeakPolarHBondContact O-CD2 3.47Å; V30-F34 PolarHBondContact O-N 3.38Å; Q31-F34 PolarHBondContact O-N 2.89Å; Q32-F34 VanDerWaalsContact C-N 3.34Å; F34-H36 VanDerWaalsContact C-N 3.31Å; F34-H36 PolarHBondContact O-N 3.23Å; F34-V37 PolarHBondContact O-N 3.41Å; F34-V37 VanDerWaalsContact O-O 3.14Å |
| 35 | S | 42.9 | Very low | 57.1 | Low | 89 Ų | 89 | 85.7 Ų | 85.7 | 62% | 0.622 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.1 | -27.9 | 178.3 | 78.8 | 0 | 0 | 0 | 0 | 113.9 | Q31 Q32 | Q31-S35 WeakPolarHBondContact O-CB 3.42Å; Q31-S35 PolarHBondContact O-N 3.48Å; Q32-S35 PolarHBondContact O-N 3.44Å; Q32-S35 PolarHBondContact O-OG 3.08Å |
| 36 | H | 50.4 | Low | 59.3 | Low | 173 Ų | 173 | 87.9 Ų | 87.9 | 80% | 0.801 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -88.6 | -14.6 | 174.2 | -81.5 | -74.5 | 0 | 0 | 0 | 113.4 | Q32 F34 K38 | Q32-H36 PolarHBondContact O-N 3.36Å; F34-H36 VanDerWaalsContact C-N 3.31Å; F34-H36 PolarHBondContact O-N 3.23Å; H36-K38 PolarHBondContact O-N 2.87Å |
| 37 | V | 55.6 | Low | 61.4 | Low | 59 Ų | 59 | 84.2 Ų | 84.2 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -88.9 | 100.2 | 175.6 | 176.4 | 0 | 0 | 0 | 0 | 108 | V33 F34 V39 | V33-V37 WeakPolarHBondContact O-CG2 3.33Å; V33-V37 PolarHBondContact O-N 3.22Å; F34-V37 PolarHBondContact O-N 3.41Å; F34-V37 VanDerWaalsContact O-O 3.14Å; V37-V39 PolarHBondContact O-N 2.87Å |
| 38 | K | 67.3 | Low | 63.7 | Low | 127 Ų | 127 | 81.2 Ų | 81.2 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | trans | -58.8 | 103.6 | 168.5 | -67.2 | -172 | -179.6 | -172.3 | 0 | 108.6 | H36 E40 N41 L42 | H36-K38 PolarHBondContact O-N 2.87Å; K38-E40 PolarHBondContact O-N 3.21Å; K38-E40 VanDerWaalsContact O-N 3.12Å; K38-N41 HydrophobicContact CB-CB 4.32Å; K38-N41 PolarHBondContact O-N 3.14Å; K38-L42 PolarHBondContact O-N 3.42Å | ||
| 39 | V | 76.8 | Confident | 66.1 | Low | 89 Ų | 89 | 80.9 Ų | 80.9 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56 | -30.6 | 179.9 | 178.7 | 0 | 0 | 0 | 0 | 110 | V37 N41 L42 V43 | V37-V39 PolarHBondContact O-N 2.87Å; V39-N41 VanDerWaalsContact C-N 3.34Å; V39-N41 PolarHBondContact O-N 3.4Å; V39-L42 WeakPolarHBondContact O-CB 3.32Å; V39-L42 PolarHBondContact O-N 3.31Å; V39-V43 HydrophobicContact CG1-CG2 4.12Å; V39-V43 VanDerWaalsContact O-CG2 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.29Å; V39-V43 PolarHBondContact O-N 2.97Å |
| 40 | E | 77.6 | Confident | 68.3 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.1 | -53.8 | 110.6 | 178.2 | 0 | 0 | 112.6 | K38 V43 A44 L321 L322 | K38-E40 PolarHBondContact O-N 3.21Å; K38-E40 VanDerWaalsContact O-N 3.12Å; E40-V43 PolarHBondContact O-N 3.12Å; E40-A44 VanDerWaalsContact O-CB 3.22Å; E40-A44 WeakPolarHBondContact O-CB 3.33Å; E40-A44 PolarHBondContact O-N 3.39Å; E40-L321 HydrophobicContact CB-CB 3.83Å; E40-L321 HydrophobicContact CB-CD1 4.1Å; E40-L321 HydrophobicContact CG-CB 3.74Å; E40-L322 HydrophobicContact CB-CD2 4.26Å; E40-L322 HydrophobicContact CB-CG 4.36Å; E40-L322 VanDerWaalsContact CD-CD2 3.45Å; E40-L322 HydrophobicContact CG-CD2 3.98Å; E40-L322 HydrophobicContact CG-CG 4.39Å; E40-L322 WeakPolarHBondContact OE2-CD2 3.24Å |
| 41 | N | 78.8 | Confident | 70.4 | Confident | 54 Ų | 54 | 77.3 Ų | 77.3 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.2 | -34 | -179.9 | -68.2 | -14.2 | 0 | 0 | 0 | 111.8 | K38 V39 G45 Y314 | K38-N41 HydrophobicContact CB-CB 4.32Å; K38-N41 PolarHBondContact O-N 3.14Å; V39-N41 VanDerWaalsContact C-N 3.34Å; V39-N41 PolarHBondContact O-N 3.4Å; N41-G45 PolarHBondContact O-N 3.49Å; N41-Y314 HydrophobicContact CB-CE2 4.44Å; N41-Y314 PolarHBondContact OD1-OH 2.86Å |
| 42 | L | 79.3 | Confident | 72.7 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -48 | 174.2 | -174.9 | 107 | 0 | 0 | 0 | 110.5 | K38 V39 G45 L46 | K38-L42 PolarHBondContact O-N 3.42Å; V39-L42 WeakPolarHBondContact O-CB 3.32Å; V39-L42 PolarHBondContact O-N 3.31Å; L42-G45 PolarHBondContact O-N 3.43Å; L42-L46 HydrophobicContact CD2-CD1 4.02Å; L42-L46 HydrophobicContact CG-CD1 4.08Å; L42-L46 WeakPolarHBondContact O-CB 3.31Å; L42-L46 VanDerWaalsContact O-CG 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.22Å; L42-L46 PolarHBondContact O-N 3.24Å |
| 43 | V | 84.1 | Confident | 74.7 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 38% | 0.382 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | V39 E40 G45 L46 S47 V317 L321 | V39-V43 HydrophobicContact CG1-CG2 4.12Å; V39-V43 VanDerWaalsContact O-CG2 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.29Å; V39-V43 PolarHBondContact O-N 2.97Å; E40-V43 PolarHBondContact O-N 3.12Å; V43-G45 VanDerWaalsContact C-N 3.35Å; V43-G45 PolarHBondContact O-N 2.9Å; V43-L46 PolarHBondContact O-N 3.27Å; V43-S47 WeakPolarHBondContact O-CB 3.43Å; V43-S47 PolarHBondContact O-N 2.94Å; V43-S47 PolarHBondContact O-OG 2.98Å; V43-V317 HydrophobicContact CG1-CG1 4.39Å; V43-L321 HydrophobicContact CB-CD1 3.87Å; V43-L321 HydrophobicContact CG1-CD1 3.78Å |
| 44 | A | 81.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E40 S47 G48 Y314 V317 | E40-A44 VanDerWaalsContact O-CB 3.22Å; E40-A44 WeakPolarHBondContact O-CB 3.33Å; E40-A44 PolarHBondContact O-N 3.39Å; A44-S47 WeakPolarHBondContact CA-OG 3.36Å; A44-S47 PolarHBondContact O-OG 2.89Å; A44-G48 PolarHBondContact O-N 3.21Å; A44-Y314 HydrophobicContact CB-CD2 3.7Å; A44-Y314 HydrophobicContact CB-CE2 3.97Å; A44-Y314 HydrophobicContact CB-CG 4.34Å; A44-V317 HydrophobicContact CB-CB 3.94Å; A44-V317 HydrophobicContact CB-CG1 3.83Å |
| 45 | G | 82.4 | Confident | 78.4 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N41 L42 V43 G48 G49 | N41-G45 PolarHBondContact O-N 3.49Å; L42-G45 PolarHBondContact O-N 3.43Å; V43-G45 VanDerWaalsContact C-N 3.35Å; V43-G45 PolarHBondContact O-N 2.9Å; G45-G48 PolarHBondContact O-N 3.06Å; G45-G49 PolarHBondContact O-N 3.29Å |
| 46 | L | 84.8 | Confident | 80.6 | Confident | 103 Ų | 103 | 58 Ų | 58 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 177.3 | -74.2 | 173.5 | 0 | 0 | 0 | 111.7 | L42 V43 G48 G49 V50 | L42-L46 HydrophobicContact CD2-CD1 4.02Å; L42-L46 HydrophobicContact CG-CD1 4.08Å; L42-L46 WeakPolarHBondContact O-CB 3.31Å; L42-L46 VanDerWaalsContact O-CG 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.22Å; L42-L46 PolarHBondContact O-N 3.24Å; V43-L46 PolarHBondContact O-N 3.27Å; L46-G48 VanDerWaalsContact C-N 3.34Å; L46-G48 PolarHBondContact O-N 3.39Å; L46-G49 PolarHBondContact O-N 2.98Å; L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 3.37Å |
| 47 | S | 85.8 | Confident | 82.4 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | V43 A44 G49 V50 V51 | V43-S47 WeakPolarHBondContact O-CB 3.43Å; V43-S47 PolarHBondContact O-N 2.94Å; V43-S47 PolarHBondContact O-OG 2.98Å; A44-S47 WeakPolarHBondContact CA-OG 3.36Å; A44-S47 PolarHBondContact O-OG 2.89Å; S47-G49 PolarHBondContact O-N 3.29Å; S47-V50 PolarHBondContact O-N 3.35Å; S47-V51 WeakPolarHBondContact O-CB 3.38Å; S47-V51 VanDerWaalsContact O-CG2 3.23Å; S47-V51 WeakPolarHBondContact O-CG2 3.03Å; S47-V51 PolarHBondContact O-N 3.5Å |
| 48 | G | 85 | Confident | 83.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A44 G45 L46 S52 V313 | A44-G48 PolarHBondContact O-N 3.21Å; G45-G48 PolarHBondContact O-N 3.06Å; L46-G48 VanDerWaalsContact C-N 3.34Å; L46-G48 PolarHBondContact O-N 3.39Å; G48-S52 WeakPolarHBondContact O-CB 3.33Å; G48-S52 PolarHBondContact O-N 3.4Å; G48-V313 VanDerWaalsContact CA-CG1 3.44Å |
| 49 | G | 84.6 | Confident | 84.9 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G45 L46 S47 T53 | G45-G49 PolarHBondContact O-N 3.29Å; L46-G49 PolarHBondContact O-N 2.98Å; S47-G49 PolarHBondContact O-N 3.29Å; G49-T53 VanDerWaalsContact O-CB 3.23Å; G49-T53 WeakPolarHBondContact O-CB 3.24Å; G49-T53 PolarHBondContact O-N 3.38Å; G49-T53 PolarHBondContact O-OG1 3.1Å |
| 50 | V | 88.1 | Confident | 85.3 | Confident | 52 Ų | 52 | 39 Ų | 39 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L46 S47 T53 L54 I105 | L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 3.37Å; S47-V50 PolarHBondContact O-N 3.35Å; V50-T53 WeakPolarHBondContact O-CB 3.35Å; V50-T53 PolarHBondContact O-N 3.04Å; V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.35Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 2.8Å; V50-I105 HydrophobicContact CG1-CD1 4.32Å; V50-I105 HydrophobicContact CG2-CG2 4.4Å |
| 51 | V | 89.4 | Confident | 85.8 | Confident | 56 Ų | 56 | 36 Ų | 36 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 179.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | S47 T53 L54 V55 I309 V313 | S47-V51 WeakPolarHBondContact O-CB 3.38Å; S47-V51 VanDerWaalsContact O-CG2 3.23Å; S47-V51 WeakPolarHBondContact O-CG2 3.03Å; S47-V51 PolarHBondContact O-N 3.5Å; V51-T53 VanDerWaalsContact C-N 3.29Å; V51-T53 PolarHBondContact O-N 2.9Å; V51-L54 PolarHBondContact O-N 2.92Å; V51-V55 HydrophobicContact CG1-CG2 4.34Å; V51-V55 WeakPolarHBondContact O-CG2 3.5Å; V51-V55 PolarHBondContact O-N 3.33Å; V51-I309 HydrophobicContact CG1-CG2 4.11Å; V51-V313 HydrophobicContact CB-CG2 4.13Å; V51-V313 HydrophobicContact CG1-CG2 3.88Å; V51-V313 HydrophobicContact CG2-CG1 4.42Å |
| 52 | S | 87.4 | Confident | 86.1 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | G48 L56 A306 T310 | G48-S52 WeakPolarHBondContact O-CB 3.33Å; G48-S52 PolarHBondContact O-N 3.4Å; S52-L56 VanDerWaalsContact O-CB 3.3Å; S52-L56 WeakPolarHBondContact O-CB 3.36Å; S52-L56 WeakPolarHBondContact O-CG 3.26Å; S52-L56 PolarHBondContact O-N 2.84Å; S52-A306 WeakPolarHBondContact OG-CA 3.23Å; S52-A306 PolarHBondContact OG-O 3.1Å; S52-T310 WeakPolarHBondContact CB-OG1 3.41Å; S52-T310 PolarHBondContact OG-OG1 3.19Å |
| 53 | T | 86.9 | Confident | 86.5 | Confident | 29 Ų | 29 | 30.4 Ų | 30.4 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | G49 V50 V51 L56 H57 N104 | G49-T53 VanDerWaalsContact O-CB 3.23Å; G49-T53 WeakPolarHBondContact O-CB 3.24Å; G49-T53 PolarHBondContact O-N 3.38Å; G49-T53 PolarHBondContact O-OG1 3.1Å; V50-T53 WeakPolarHBondContact O-CB 3.35Å; V50-T53 PolarHBondContact O-N 3.04Å; V51-T53 VanDerWaalsContact C-N 3.29Å; V51-T53 PolarHBondContact O-N 2.9Å; T53-L56 PolarHBondContact O-N 2.94Å; T53-H57 WeakPolarHBondContact O-CA 3.32Å; T53-H57 VanDerWaalsContact O-CB 3.22Å; T53-H57 WeakPolarHBondContact O-CB 3.34Å; T53-H57 PolarHBondContact O-N 3.44Å; T53-N104 WeakPolarHBondContact CG2-ND2 3.23Å |
| 54 | L | 88.8 | Confident | 86.6 | Confident | 64 Ų | 64 | 28.5 Ų | 28.5 | 34% | 0.335 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 179 | -72.4 | 170.9 | 0 | 0 | 0 | 111.7 | V50 V51 L56 H57 Y98 V101 I105 | V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.35Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 2.8Å; V51-L54 PolarHBondContact O-N 2.92Å; L54-L56 VanDerWaalsContact C-N 3.27Å; L54-L56 PolarHBondContact O-N 3.34Å; L54-H57 PolarHBondContact O-N 2.89Å; L54-Y98 VanDerWaalsContact O-CE1 3.27Å; L54-Y98 WeakPolarHBondContact O-CE1 3.25Å; L54-V101 HydrophobicContact CD2-CG2 3.68Å; L54-I105 HydrophobicContact CD2-CD1 4.27Å |
| 55 | V | 89.2 | Confident | 86.8 | Confident | 79 Ų | 79 | 28.5 Ų | 28.5 | 48% | 0.479 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.7 | -37.2 | -178.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | V51 I309 | V51-V55 HydrophobicContact CG1-CG2 4.34Å; V51-V55 WeakPolarHBondContact O-CG2 3.5Å; V51-V55 PolarHBondContact O-N 3.33Å; V55-I309 HydrophobicContact CB-CD1 4.04Å; V55-I309 HydrophobicContact CG1-CD1 3.66Å |
| 56 | L | 88.1 | Confident | 86.9 | Confident | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -100.4 | 1.9 | -174 | -59.5 | 174.3 | 0 | 0 | 0 | 114 | S52 T53 L54 P58 L59 D60 R302 P305 A306 I309 | S52-L56 VanDerWaalsContact O-CB 3.3Å; S52-L56 WeakPolarHBondContact O-CB 3.36Å; S52-L56 WeakPolarHBondContact O-CG 3.26Å; S52-L56 PolarHBondContact O-N 2.84Å; T53-L56 PolarHBondContact O-N 2.94Å; L54-L56 VanDerWaalsContact C-N 3.27Å; L54-L56 PolarHBondContact O-N 3.34Å; L56-P58 VanDerWaalsContact C-N 3.3Å; L56-L59 HydrophobicContact CD2-CD1 4.07Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.43Å; L56-D60 PolarHBondContact O-N 3.21Å; L56-D60 VanDerWaalsContact O-N 3.16Å; L56-R302 HydrophobicContact CB-CG 3.91Å; L56-R302 HydrophobicContact CD1-CG 4.06Å; L56-R302 HydrophobicContact CG-CG 4.45Å; L56-P305 HydrophobicContact CD1-CB 4.26Å; L56-P305 HydrophobicContact CD2-CB 3.92Å; L56-A306 HydrophobicContact CD1-CB 3.38Å; L56-A306 VanDerWaalsContact CD1-N 3.29Å; L56-I309 HydrophobicContact CD1-CD1 4.23Å; L56-I309 HydrophobicContact CD2-CD1 4.32Å; L56-I309 HydrophobicContact CG-CD1 4.18Å |
| 57 | H | 88.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.1 | -37.2 | 177.4 | -166.6 | 78.5 | 0 | 0 | 0 | 113 | T53 L54 L59 D60 L61 L97 Y98 Q99 V101 | T53-H57 WeakPolarHBondContact O-CA 3.32Å; T53-H57 VanDerWaalsContact O-CB 3.22Å; T53-H57 WeakPolarHBondContact O-CB 3.34Å; T53-H57 PolarHBondContact O-N 3.44Å; L54-H57 PolarHBondContact O-N 2.89Å; H57-L59 VanDerWaalsContact C-N 3.26Å; H57-L59 PolarHBondContact O-N 2.82Å; H57-D60 WeakPolarHBondContact O-CB 3.42Å; H57-D60 PolarHBondContact O-N 3.03Å; H57-D60 VanDerWaalsContact O-N 3.1Å; H57-L61 PolarHBondContact O-N 2.9Å; H57-L97 PolarHBondContact CD2-O 3.46Å; H57-Y98 HydrophobicContact CB-CD1 4.4Å; H57-Y98 HydrophobicContact CB-CE1 4.47Å; H57-Q99 PolarHBondContact CE1-O 2.84Å; H57-Q99 PolarHBondContact NE2-O 3.04Å; H57-V101 VanDerWaalsContact CE1-CA 3.41Å; H57-V101 WeakPolarHBondContact CE1-CA 3.27Å; H57-V101 PolarHBondContact CE1-N 3.09Å; H57-V101 VanDerWaalsContact CE1-N 3.31Å |
| 58 | P | 87.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 22.8 Ų | 22.8 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.9 | -36.3 | 173.6 | -26.7 | 36.3 | 0 | 0 | 0 | 113.5 | L56 L61 V62 M85 L97 | L56-P58 VanDerWaalsContact C-N 3.3Å; P58-L61 PolarHBondContact O-N 3.48Å; P58-V62 VanDerWaalsContact O-CG2 3.31Å; P58-V62 WeakPolarHBondContact O-CG2 3.12Å; P58-V62 PolarHBondContact O-N 2.92Å; P58-V62 VanDerWaalsContact O-N 3.08Å; P58-M85 HydrophobicContact CB-CE 4.04Å; P58-L97 HydrophobicContact CB-CD2 4.45Å |
| 59 | L | 87.6 | Confident | 86 | Confident | 25 Ų | 25 | 23.9 Ų | 23.9 | 13% | 0.131 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.9 | -35.1 | 176 | -66.8 | 176.7 | 0 | 0 | 0 | 111.8 | L56 H57 L61 V62 K63 I81 M85 I301 R302 | L56-L59 HydrophobicContact CD2-CD1 4.07Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.43Å; H57-L59 VanDerWaalsContact C-N 3.26Å; H57-L59 PolarHBondContact O-N 2.82Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-V62 PolarHBondContact O-N 3.04Å; L59-K63 WeakPolarHBondContact O-CB 3.31Å; L59-K63 PolarHBondContact O-N 2.83Å; L59-I81 HydrophobicContact CD2-CG2 4.18Å; L59-M85 HydrophobicContact CD2-SD 4.37Å; L59-I301 HydrophobicContact CD1-CG2 4.38Å; L59-R302 HydrophobicContact CB-CB 4.35Å; L59-R302 HydrophobicContact CB-CG 4.21Å; L59-R302 HydrophobicContact CD1-CB 4.16Å; L59-R302 HydrophobicContact CD1-CG 4.28Å |
| 60 | D | 86.1 | Confident | 85 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 172.3 | -79.6 | -30.7 | 0 | 0 | 0 | 111.5 | L56 H57 K63 I64 R302 | L56-D60 PolarHBondContact O-N 3.21Å; L56-D60 VanDerWaalsContact O-N 3.16Å; H57-D60 WeakPolarHBondContact O-CB 3.42Å; H57-D60 PolarHBondContact O-N 3.03Å; H57-D60 VanDerWaalsContact O-N 3.1Å; D60-K63 PolarHBondContact O-N 2.87Å; D60-I64 WeakPolarHBondContact O-CG1 3.28Å; D60-I64 PolarHBondContact O-N 3.48Å; D60-I64 VanDerWaalsContact O-N 3.07Å; D60-R302 VanDerWaalsContact CG-NH1 3.29Å; D60-R302 WeakPolarHBondContact OD1-CD 3.4Å; D60-R302 IonicContact OD1-CZ 3.01Å; D60-R302 IonicContact OD1-NE 3.24Å; D60-R302 PolarHBondContact OD1-NE 3.16Å; D60-R302 VanDerWaalsContact OD1-NE 3.07Å; D60-R302 IonicContact OD1-NH1 2.6Å; D60-R302 PolarHBondContact OD1-NH1 2.81Å; D60-R302 IonicContact OD2-CZ 2.82Å; D60-R302 IonicContact OD2-NH1 3.04Å; D60-R302 PolarHBondContact OD2-NH1 3.17Å |
| 61 | L | 86.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 174.7 | 178 | 145.1 | 0 | 0 | 0 | 111.2 | H57 P58 L59 K63 I64 R65 V88 G96 V165 | H57-L61 PolarHBondContact O-N 2.9Å; P58-L61 PolarHBondContact O-N 3.48Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L61-K63 VanDerWaalsContact C-N 3.35Å; L61-K63 PolarHBondContact O-N 2.93Å; L61-I64 PolarHBondContact O-N 2.93Å; L61-R65 HydrophobicContact CD2-CG 4.38Å; L61-R65 WeakPolarHBondContact O-CB 3.47Å; L61-R65 WeakPolarHBondContact O-CG 3.37Å; L61-R65 PolarHBondContact O-N 2.95Å; L61-V88 HydrophobicContact CD2-CG1 4.45Å; L61-V88 HydrophobicContact CD2-CG2 4.1Å; L61-G96 WeakPolarHBondContact CD1-O 3.22Å; L61-V165 HydrophobicContact CB-CG1 4.32Å; L61-V165 HydrophobicContact CD1-CG1 4.45Å; L61-V165 HydrophobicContact CG-CG1 3.99Å |
| 62 | V | 86 | Confident | 81.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | P58 L59 I64 R65 F66 I81 C84 M85 P298 | P58-V62 VanDerWaalsContact O-CG2 3.31Å; P58-V62 WeakPolarHBondContact O-CG2 3.12Å; P58-V62 PolarHBondContact O-N 2.92Å; P58-V62 VanDerWaalsContact O-N 3.08Å; L59-V62 PolarHBondContact O-N 3.04Å; V62-I64 PolarHBondContact O-N 2.88Å; V62-R65 PolarHBondContact O-N 2.88Å; V62-F66 HydrophobicContact CG1-CD2 3.67Å; V62-F66 HydrophobicContact CG1-CE2 3.69Å; V62-F66 HydrophobicContact CG1-CG 4.44Å; V62-F66 HydrophobicContact CG1-CZ 4.47Å; V62-F66 WeakPolarHBondContact O-CB 3.08Å; V62-F66 VanDerWaalsContact O-CD2 3.23Å; V62-F66 WeakPolarHBondContact O-CD2 3.43Å; V62-F66 PolarHBondContact O-N 3.47Å; V62-I81 HydrophobicContact CG1-CB 4.43Å; V62-I81 HydrophobicContact CG1-CG1 4.24Å; V62-I81 HydrophobicContact CG1-CG2 4.17Å; V62-C84 HydrophobicContact CG1-CB 4.39Å; V62-C84 HydrophobicContact CG2-CB 4.33Å; V62-M85 HydrophobicContact CG2-CG 3.61Å; V62-P298 HydrophobicContact CG1-CB 4.27Å; V62-P298 HydrophobicContact CG1-CG 4.31Å |
| 63 | K | 87.8 | Confident | 80 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.8 | -51.6 | 176.6 | 177.3 | -168.7 | 174.4 | 178.2 | 0 | 111.2 | L59 D60 L61 F66 A67 P298 N299 | L59-K63 WeakPolarHBondContact O-CB 3.31Å; L59-K63 PolarHBondContact O-N 2.83Å; D60-K63 PolarHBondContact O-N 2.87Å; L61-K63 VanDerWaalsContact C-N 3.35Å; L61-K63 PolarHBondContact O-N 2.93Å; K63-F66 PolarHBondContact O-N 3.49Å; K63-A67 WeakPolarHBondContact O-CB 3.41Å; K63-A67 PolarHBondContact O-N 3.33Å; K63-P298 HydrophobicContact CB-CB 4.47Å; K63-P298 HydrophobicContact CB-CG 4.33Å; K63-N299 HydrophobicContact CD-CB 3.83Å; K63-N299 WeakPolarHBondContact CE-OD1 3.41Å; K63-N299 HydrophobicContact CG-CB 4.28Å; K63-N299 PolarHBondContact NZ-OD1 2.85Å |
| 64 | I | 85.9 | Confident | 78.4 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.1 | -46.3 | -177.6 | -67 | 168.4 | 0 | 0 | 0 | 110.4 | D60 L61 V62 F66 A67 V68 T162 V165 L166 | D60-I64 WeakPolarHBondContact O-CG1 3.28Å; D60-I64 PolarHBondContact O-N 3.48Å; D60-I64 VanDerWaalsContact O-N 3.07Å; L61-I64 PolarHBondContact O-N 2.93Å; V62-I64 PolarHBondContact O-N 2.88Å; I64-F66 VanDerWaalsContact C-N 3.26Å; I64-F66 PolarHBondContact O-N 2.87Å; I64-A67 PolarHBondContact O-N 3.35Å; I64-V68 WeakPolarHBondContact O-CG2 3.33Å; I64-V68 PolarHBondContact O-N 3.48Å; I64-T162 HydrophobicContact CG2-CG2 4.21Å; I64-V165 HydrophobicContact CB-CG1 3.77Å; I64-V165 HydrophobicContact CD1-CB 4.38Å; I64-V165 HydrophobicContact CD1-CG1 4.11Å; I64-V165 HydrophobicContact CD1-CG2 4.17Å; I64-V165 HydrophobicContact CG2-CB 4.25Å; I64-V165 HydrophobicContact CG2-CG1 3.71Å; I64-L166 HydrophobicContact CG2-CD2 4.02Å; I64-L166 HydrophobicContact CG2-CG 4.13Å |
| 65 | R | 86.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -35.7 | 178.3 | -72.4 | -173.9 | 177.9 | -155.3 | 2.8 | 112.3 | L61 V62 S69 E92 V165 L166 Y168 | L61-R65 HydrophobicContact CD2-CG 4.38Å; L61-R65 WeakPolarHBondContact O-CB 3.47Å; L61-R65 WeakPolarHBondContact O-CG 3.37Å; L61-R65 PolarHBondContact O-N 2.95Å; V62-R65 PolarHBondContact O-N 2.88Å; R65-S69 WeakPolarHBondContact O-CB 3.18Å; R65-S69 PolarHBondContact O-N 3.49Å; R65-E92 IonicContact CZ-OE1 3.12Å; R65-E92 VanDerWaalsContact CZ-OE1 3.29Å; R65-E92 IonicContact NH1-OE1 2.78Å; R65-E92 PolarHBondContact NH1-OE1 3.25Å; R65-E92 VanDerWaalsContact NH2-CD 3.35Å; R65-E92 IonicContact NH2-OE1 3.62Å; R65-E92 PolarHBondContact NH2-OE1 2.96Å; R65-E92 IonicContact NH2-OE2 3.16Å; R65-E92 PolarHBondContact NH2-OE2 3.29Å; R65-E92 VanDerWaalsContact NH2-OE2 3.11Å; R65-V165 HydrophobicContact CG-CG1 4.44Å; R65-V165 PolarHBondContact NE-O 2.92Å; R65-V165 VanDerWaalsContact NE-O 3.08Å; R65-V165 PolarHBondContact NH2-O 3.33Å; R65-L166 HydrophobicContact CG-CD2 4.39Å; R65-Y168 HydrophobicContact CG-CE1 4.14Å |
| 66 | F | 83.8 | Confident | 75.9 | Confident | 41 Ų | 41 | 33.7 Ų | 33.7 | 18% | 0.18 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.6 | -42.5 | 176 | -87.3 | -121.3 | 0 | 0 | 0 | 112.5 | V62 K63 I64 V68 S69 Y78 C84 K294 | V62-F66 HydrophobicContact CG1-CD2 3.67Å; V62-F66 HydrophobicContact CG1-CE2 3.69Å; V62-F66 HydrophobicContact CG1-CG 4.44Å; V62-F66 HydrophobicContact CG1-CZ 4.47Å; V62-F66 WeakPolarHBondContact O-CB 3.08Å; V62-F66 VanDerWaalsContact O-CD2 3.23Å; V62-F66 WeakPolarHBondContact O-CD2 3.43Å; V62-F66 PolarHBondContact O-N 3.47Å; K63-F66 PolarHBondContact O-N 3.49Å; I64-F66 VanDerWaalsContact C-N 3.26Å; I64-F66 PolarHBondContact O-N 2.87Å; F66-V68 PolarHBondContact O-N 2.92Å; F66-S69 WeakPolarHBondContact O-CB 3.37Å; F66-S69 PolarHBondContact O-N 3.02Å; F66-Y78 HydrophobicContact CD2-CD2 4.45Å; F66-Y78 AromaticContact CE2-CD2 3.91Å; F66-Y78 HydrophobicContact CE2-CD2 3.91Å; F66-Y78 HydrophobicContact CE2-CG 4.1Å; F66-Y78 HydrophobicContact CZ-CG 4.47Å; F66-C84 HydrophobicContact CE2-CB 3.73Å; F66-C84 HydrophobicContact CZ-CB 4.36Å; F66-K294 WeakPolarHBondContact O-CB 3.09Å |
| 67 | A | 82.1 | Confident | 74.9 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -34.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | K63 I64 V261 A264 R265 K294 | K63-A67 WeakPolarHBondContact O-CB 3.41Å; K63-A67 PolarHBondContact O-N 3.33Å; I64-A67 PolarHBondContact O-N 3.35Å; A67-V261 HydrophobicContact CB-CG2 4.26Å; A67-V261 WeakPolarHBondContact O-CG1 3.06Å; A67-A264 HydrophobicContact CB-CB 4.25Å; A67-R265 PolarHBondContact O-NE 3.36Å; A67-K294 WeakPolarHBondContact CA-O 3.38Å |
| 68 | V | 80.7 | Confident | 73.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 1.2 | 177.5 | -161.6 | 0 | 0 | 0 | 0 | 111.6 | I64 F66 D70 R75 L166 A264 R265 D268 | I64-V68 WeakPolarHBondContact O-CG2 3.33Å; I64-V68 PolarHBondContact O-N 3.48Å; F66-V68 PolarHBondContact O-N 2.92Å; V68-D70 PolarHBondContact O-N 2.95Å; V68-R75 PolarHBondContact O-NH1 2.95Å; V68-L166 HydrophobicContact CB-CD1 4.37Å; V68-L166 HydrophobicContact CB-CD2 4.06Å; V68-L166 HydrophobicContact CG1-CD1 4.24Å; V68-L166 HydrophobicContact CG2-CD1 3.98Å; V68-L166 HydrophobicContact CG2-CD2 4.1Å; V68-A264 HydrophobicContact CG2-CB 3.72Å; V68-R265 HydrophobicContact CG1-CG 4.26Å; V68-D268 HydrophobicContact CG1-CB 3.59Å; V68-D268 WeakPolarHBondContact CG1-OD2 3.22Å |
| 69 | S | 74.4 | Confident | 72.8 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | trans | -76.5 | 96.4 | 179.2 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | R65 F66 G71 K294 | R65-S69 WeakPolarHBondContact O-CB 3.18Å; R65-S69 PolarHBondContact O-N 3.49Å; F66-S69 WeakPolarHBondContact O-CB 3.37Å; F66-S69 PolarHBondContact O-N 3.02Å; S69-G71 VanDerWaalsContact C-N 3.3Å; S69-G71 PolarHBondContact O-N 3.22Å; S69-K294 WeakPolarHBondContact O-CD 3.23Å; S69-K294 PolarHBondContact O-NZ 3.45Å | ||
| 70 | D | 63.9 | Low | 72.4 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | trans | -90.4 | 9.2 | -176.1 | -57.3 | -13 | 0 | 0 | 0 | 113.2 | V68 L72 R265 Y273 E287 | V68-D70 PolarHBondContact O-N 2.95Å; D70-L72 HydrophobicContact CB-CD1 4.22Å; D70-L72 HydrophobicContact CB-CG 4.32Å; D70-L72 PolarHBondContact O-N 3.48Å; D70-R265 IonicContact OD1-CZ 3.11Å; D70-R265 IonicContact OD1-NE 2.96Å; D70-R265 PolarHBondContact OD1-NE 3.46Å; D70-R265 IonicContact OD1-NH1 2.73Å; D70-R265 PolarHBondContact OD1-NH1 3.09Å; D70-R265 VanDerWaalsContact OD1-NH1 3.16Å; D70-R265 IonicContact OD1-NH2 3.99Å; D70-R265 PolarHBondContact OD1-NH2 2.99Å; D70-R265 VanDerWaalsContact OD1-NH2 3.12Å; D70-Y273 PolarHBondContact OD2-OH 3.36Å; D70-E287 VanDerWaalsContact CA-OE1 3.31Å; D70-E287 WeakPolarHBondContact CA-OE1 3.42Å; D70-E287 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 71 | G | 56.1 | Low | 72.3 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 74.9 | 1.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S69 | S69-G71 VanDerWaalsContact C-N 3.3Å; S69-G71 PolarHBondContact O-N 3.22Å |
| 72 | L | 55 | Low | 72.1 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 41% | 0.414 | 30% | 0.295 | S | S | . | . | trans | -67.5 | 144.4 | 175.5 | -64.8 | 168.4 | 0 | 0 | 0 | 111.8 | D70 L74 R75 | D70-L72 HydrophobicContact CB-CD1 4.22Å; D70-L72 HydrophobicContact CB-CG 4.32Å; D70-L72 PolarHBondContact O-N 3.48Å; L72-L74 PolarHBondContact O-N 3.3Å; L72-L74 VanDerWaalsContact O-N 3.12Å; L72-R75 PolarHBondContact O-N 2.92Å | ||
| 73 | E | 49.3 | Very low | 72 | Confident | 188 Ų | 188 | 58.3 Ų | 58.3 | 88% | 0.879 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.2 | -173.2 | -61.2 | -152.2 | 136.2 | 0 | 0 | 115.2 | R75 | E73-R75 PolarHBondContact O-N 3.48Å; E73-R75 VanDerWaalsContact O-N 3.08Å |
| 74 | L | 53.4 | Low | 71.7 | Confident | 147 Ų | 147 | 56.7 Ų | 56.7 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -6.1 | 176.1 | -84.7 | 146.5 | 0 | 0 | 0 | 113.8 | L72 | L72-L74 PolarHBondContact O-N 3.3Å; L72-L74 VanDerWaalsContact O-N 3.12Å |
| 75 | R | 64.4 | Low | 71.7 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 6% | 0.06 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -126.8 | 144 | -172.9 | -60.5 | 177 | -158.1 | -164.4 | -3.7 | 112 | V68 L72 E73 K77 Y168 D268 S271 | V68-R75 PolarHBondContact O-NH1 2.95Å; L72-R75 PolarHBondContact O-N 2.92Å; E73-R75 PolarHBondContact O-N 3.48Å; E73-R75 VanDerWaalsContact O-N 3.08Å; R75-K77 PolarHBondContact O-N 3.38Å; R75-Y168 HydrophobicContact CG-CE2 4.2Å; R75-D268 IonicContact CZ-OD2 3.05Å; R75-D268 VanDerWaalsContact CZ-OD2 3.23Å; R75-D268 IonicContact NH1-OD2 3.25Å; R75-D268 PolarHBondContact NH1-OD2 3.47Å; R75-D268 IonicContact NH2-OD2 2.93Å; R75-D268 PolarHBondContact NH2-OD2 2.85Å; R75-S271 PolarHBondContact NH2-OG 3.43Å |
| 76 | P | 60.8 | Low | 71.6 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 124.7 | 173 | -15 | 27.2 | 0 | 0 | 0 | 110.1 | Y78 Y168 | P76-Y78 HydrophobicContact CB-CE1 3.85Å; P76-Y78 HydrophobicContact CB-CE2 4.19Å; P76-Y78 WeakPolarHBondContact O-CD2 3.2Å; P76-Y78 WeakPolarHBondContact O-CE2 3.36Å; P76-Y78 PolarHBondContact O-N 3.41Å; P76-Y168 HydrophobicContact CG-CD1 4.45Å |
| 77 | K | 65.4 | Low | 71.6 | Confident | 149 Ų | 149 | 63.6 Ų | 63.6 | 65% | 0.648 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 118.5 | 170.5 | -69 | 178.7 | -178.2 | 172.3 | 0 | 108.1 | R75 | R75-K77 PolarHBondContact O-N 3.38Š|
| 78 | Y | 67.5 | Low | 71.7 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 11% | 0.114 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 125.6 | 177.6 | -56.3 | -69 | 0 | 0 | 0 | 109.9 | F66 P76 G80 C84 | F66-Y78 HydrophobicContact CD2-CD2 4.45Å; F66-Y78 AromaticContact CE2-CD2 3.91Å; F66-Y78 HydrophobicContact CE2-CD2 3.91Å; F66-Y78 HydrophobicContact CE2-CG 4.1Å; F66-Y78 HydrophobicContact CZ-CG 4.47Å; P76-Y78 HydrophobicContact CB-CE1 3.85Å; P76-Y78 HydrophobicContact CB-CE2 4.19Å; P76-Y78 WeakPolarHBondContact O-CD2 3.2Å; P76-Y78 WeakPolarHBondContact O-CE2 3.36Å; P76-Y78 PolarHBondContact O-N 3.41Å; Y78-G80 VanDerWaalsContact C-N 3.28Å; Y78-C84 HydrophobicContact CD1-CB 3.61Å; Y78-C84 HydrophobicContact CD2-CB 4.21Å; Y78-C84 HydrophobicContact CE1-CB 4.03Å; Y78-C84 HydrophobicContact CG-CB 3.68Å |
| 79 | S | 66 | Low | 71.9 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 76% | 0.762 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -74.5 | -18.6 | 174.7 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | H83 | S79-H83 WeakPolarHBondContact OG-CB 3.13Š|
| 80 | G | 79.3 | Confident | 72.3 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -175.3 | 176.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y78 H83 C84 | Y78-G80 VanDerWaalsContact C-N 3.28Å; G80-H83 PolarHBondContact O-N 2.89Å; G80-C84 WeakPolarHBondContact O-CB 3.46Å; G80-C84 PolarHBondContact O-N 2.87Å |
| 81 | I | 83.1 | Confident | 73.1 | Confident | 35 Ų | 35 | 80.2 Ų | 80.2 | 18% | 0.179 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.9 | -49.3 | -178 | -63.5 | 170.5 | 0 | 0 | 0 | 110.9 | L59 V62 H83 C84 M85 V297 P298 I301 | L59-I81 HydrophobicContact CD2-CG2 4.18Å; V62-I81 HydrophobicContact CG1-CB 4.43Å; V62-I81 HydrophobicContact CG1-CG1 4.24Å; V62-I81 HydrophobicContact CG1-CG2 4.17Å; I81-H83 VanDerWaalsContact C-N 3.35Å; I81-H83 PolarHBondContact O-N 2.89Å; I81-C84 WeakPolarHBondContact O-CB 3.49Å; I81-C84 PolarHBondContact O-N 3.2Å; I81-M85 HydrophobicContact CG2-SD 4.07Å; I81-M85 WeakPolarHBondContact O-CG 3.31Å; I81-M85 PolarHBondContact O-N 2.95Å; I81-V297 HydrophobicContact CD1-CG1 4.05Å; I81-P298 HydrophobicContact CD1-CB 3.97Å; I81-P298 HydrophobicContact CD1-CG 4.39Å; I81-P298 HydrophobicContact CG1-CB 4.36Å; I81-I301 HydrophobicContact CD1-CD1 3.87Å |
| 82 | L | 83.3 | Confident | 74.1 | Confident | 143 Ų | 143 | 79.5 Ų | 79.5 | 75% | 0.749 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | -179.6 | -66.8 | 175.2 | 0 | 0 | 0 | 112 | C84 M85 K86 | L82-C84 VanDerWaalsContact C-N 3.33Å; L82-M85 PolarHBondContact O-N 3.32Å; L82-K86 VanDerWaalsContact O-CB 3.25Å; L82-K86 WeakPolarHBondContact O-CB 3.39Å; L82-K86 PolarHBondContact O-N 2.92Å |
| 83 | H | 84.1 | Confident | 75.5 | Confident | 89 Ų | 89 | 77 Ų | 77 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.5 | -171.5 | -98.5 | 0 | 0 | 0 | 111.2 | S79 G80 I81 S87 | S79-H83 WeakPolarHBondContact OG-CB 3.13Å; G80-H83 PolarHBondContact O-N 2.89Å; I81-H83 VanDerWaalsContact C-N 3.35Å; I81-H83 PolarHBondContact O-N 2.89Å; H83-S87 VanDerWaalsContact O-CB 3.24Å; H83-S87 WeakPolarHBondContact O-CB 3.26Å; H83-S87 PolarHBondContact O-N 2.93Å; H83-S87 PolarHBondContact O-OG 2.94Å |
| 84 | C | 82.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -54.3 | 173.8 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | V62 F66 Y78 G80 I81 L82 K86 S87 V88 | V62-C84 HydrophobicContact CG1-CB 4.39Å; V62-C84 HydrophobicContact CG2-CB 4.33Å; F66-C84 HydrophobicContact CE2-CB 3.73Å; F66-C84 HydrophobicContact CZ-CB 4.36Å; Y78-C84 HydrophobicContact CD1-CB 3.61Å; Y78-C84 HydrophobicContact CD2-CB 4.21Å; Y78-C84 HydrophobicContact CE1-CB 4.03Å; Y78-C84 HydrophobicContact CG-CB 3.68Å; G80-C84 WeakPolarHBondContact O-CB 3.46Å; G80-C84 PolarHBondContact O-N 2.87Å; I81-C84 WeakPolarHBondContact O-CB 3.49Å; I81-C84 PolarHBondContact O-N 3.2Å; L82-C84 VanDerWaalsContact C-N 3.33Å; C84-K86 VanDerWaalsContact C-N 3.33Å; C84-K86 PolarHBondContact O-N 3.29Å; C84-S87 PolarHBondContact O-N 2.7Å; C84-S87 VanDerWaalsContact O-N 3.13Å; C84-V88 VanDerWaalsContact O-CG2 3.31Å; C84-V88 WeakPolarHBondContact O-CG2 3.11Å; C84-V88 PolarHBondContact O-N 2.98Å |
| 85 | M | 84.4 | Confident | 78.4 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 26% | 0.261 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.3 | -45.1 | 179.5 | -69.3 | 177.2 | 63.4 | 0 | 0 | 112.4 | P58 L59 V62 I81 L82 V88 W89 | P58-M85 HydrophobicContact CB-CE 4.04Å; L59-M85 HydrophobicContact CD2-SD 4.37Å; V62-M85 HydrophobicContact CG2-CG 3.61Å; I81-M85 HydrophobicContact CG2-SD 4.07Å; I81-M85 WeakPolarHBondContact O-CG 3.31Å; I81-M85 PolarHBondContact O-N 2.95Å; L82-M85 PolarHBondContact O-N 3.32Å; M85-V88 PolarHBondContact O-N 3.38Å; M85-W89 WeakPolarHBondContact O-CB 3.48Å; M85-W89 PolarHBondContact O-N 2.7Å |
| 86 | K | 85.1 | Confident | 79.2 | Confident | 135 Ų | 135 | 72 Ų | 72 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 177.4 | -175.5 | 173.3 | -179 | -177.4 | 0 | 111.7 | L82 C84 W89 H90 | L82-K86 VanDerWaalsContact O-CB 3.25Å; L82-K86 WeakPolarHBondContact O-CB 3.39Å; L82-K86 PolarHBondContact O-N 2.92Å; C84-K86 VanDerWaalsContact C-N 3.33Å; C84-K86 PolarHBondContact O-N 3.29Å; K86-W89 PolarHBondContact O-N 2.92Å; K86-H90 PolarHBondContact O-CD2 3.41Å; K86-H90 VanDerWaalsContact O-CD2 3.3Å; K86-H90 PolarHBondContact O-N 3.5Å |
| 87 | S | 82.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 177.3 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | H83 C84 W89 H90 Q91 | H83-S87 VanDerWaalsContact O-CB 3.24Å; H83-S87 WeakPolarHBondContact O-CB 3.26Å; H83-S87 PolarHBondContact O-N 2.93Å; H83-S87 PolarHBondContact O-OG 2.94Å; C84-S87 PolarHBondContact O-N 2.7Å; C84-S87 VanDerWaalsContact O-N 3.13Å; S87-W89 VanDerWaalsContact C-N 3.32Å; S87-W89 PolarHBondContact O-N 3.5Å; S87-H90 PolarHBondContact O-N 2.94Å; S87-Q91 WeakPolarHBondContact O-CB 3.47Å; S87-Q91 WeakPolarHBondContact O-CG 3.38Å; S87-Q91 PolarHBondContact O-N 3.47Å |
| 88 | V | 84.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | L61 C84 M85 Q91 E92 G93 L97 | L61-V88 HydrophobicContact CD2-CG1 4.45Å; L61-V88 HydrophobicContact CD2-CG2 4.1Å; C84-V88 VanDerWaalsContact O-CG2 3.31Å; C84-V88 WeakPolarHBondContact O-CG2 3.11Å; C84-V88 PolarHBondContact O-N 2.98Å; M85-V88 PolarHBondContact O-N 3.38Å; V88-Q91 PolarHBondContact O-N 3.48Å; V88-E92 HydrophobicContact CG1-CB 4.24Å; V88-E92 WeakPolarHBondContact O-CA 3.31Å; V88-E92 WeakPolarHBondContact O-CB 3.26Å; V88-E92 PolarHBondContact O-N 2.93Å; V88-G93 PolarHBondContact O-N 2.9Å; V88-L97 HydrophobicContact CB-CD2 3.93Å; V88-L97 HydrophobicContact CG1-CD2 3.81Å; V88-L97 HydrophobicContact CG1-CG 4.31Å |
| 89 | W | 85.5 | Confident | 82.2 | Confident | 136 Ų | 136 | 67.6 Ų | 67.6 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.4 | -178 | -86 | 0 | 0 | 0 | 112.2 | M85 K86 S87 G93 V94 L97 | M85-W89 WeakPolarHBondContact O-CB 3.48Å; M85-W89 PolarHBondContact O-N 2.7Å; K86-W89 PolarHBondContact O-N 2.92Å; S87-W89 VanDerWaalsContact C-N 3.32Å; S87-W89 PolarHBondContact O-N 3.5Å; W89-G93 WeakPolarHBondContact O-CA 3.35Å; W89-G93 PolarHBondContact O-N 3.47Å; W89-V94 HydrophobicContact CE3-CG2 4.34Å; W89-V94 HydrophobicContact CH2-CG2 3.5Å; W89-V94 HydrophobicContact CZ2-CG2 4.15Å; W89-V94 HydrophobicContact CZ3-CB 4.36Å; W89-V94 HydrophobicContact CZ3-CG2 3.61Å; W89-L97 HydrophobicContact CE3-CD1 3.59Å; W89-L97 HydrophobicContact CE3-CG 4.48Å; W89-L97 HydrophobicContact CZ3-CD1 4.13Å |
| 90 | H | 82.9 | Confident | 83.1 | Confident | 141 Ų | 141 | 62.7 Ų | 62.7 | 65% | 0.653 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71.2 | -36.9 | 179.9 | -85 | -73.1 | 0 | 0 | 0 | 113.5 | K86 S87 | K86-H90 PolarHBondContact O-CD2 3.41Å; K86-H90 VanDerWaalsContact O-CD2 3.3Å; K86-H90 PolarHBondContact O-N 3.5Å; S87-H90 PolarHBondContact O-N 2.94Å |
| 91 | Q | 80.4 | Confident | 83.5 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -86 | -40.7 | -175.6 | -67.9 | 176.3 | -5.5 | 0 | 0 | 113.1 | S87 V88 | S87-Q91 WeakPolarHBondContact O-CB 3.47Å; S87-Q91 WeakPolarHBondContact O-CG 3.38Å; S87-Q91 PolarHBondContact O-N 3.47Å; V88-Q91 PolarHBondContact O-N 3.48Å |
| 92 | E | 77.3 | Confident | 83.8 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -118.1 | -8.3 | -169.7 | -57.9 | 179.6 | -143.4 | 0 | 0 | 113.1 | R65 V88 G96 Q99 | R65-E92 IonicContact CZ-OE1 3.12Å; R65-E92 VanDerWaalsContact CZ-OE1 3.29Å; R65-E92 IonicContact NH1-OE1 2.78Å; R65-E92 PolarHBondContact NH1-OE1 3.25Å; R65-E92 VanDerWaalsContact NH2-CD 3.35Å; R65-E92 IonicContact NH2-OE1 3.62Å; R65-E92 PolarHBondContact NH2-OE1 2.96Å; R65-E92 IonicContact NH2-OE2 3.16Å; R65-E92 PolarHBondContact NH2-OE2 3.29Å; R65-E92 VanDerWaalsContact NH2-OE2 3.11Å; V88-E92 HydrophobicContact CG1-CB 4.24Å; V88-E92 WeakPolarHBondContact O-CA 3.31Å; V88-E92 WeakPolarHBondContact O-CB 3.26Å; V88-E92 PolarHBondContact O-N 2.93Å; E92-G96 PolarHBondContact O-N 3.22Å; E92-G96 WeakPolarHBondContact OE2-CA 3.47Å; E92-Q99 PolarHBondContact OE2-NE2 2.98Å; E92-Q99 PolarHBondContact OE2-OE1 3.47Å |
| 93 | G | 83.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | 68.9 | -167.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V88 W89 R95 G96 L97 | V88-G93 PolarHBondContact O-N 2.9Å; W89-G93 WeakPolarHBondContact O-CA 3.35Å; W89-G93 PolarHBondContact O-N 3.47Å; G93-R95 PolarHBondContact O-N 3.39Å; G93-G96 PolarHBondContact O-N 3.47Å; G93-L97 PolarHBondContact O-N 2.91Å |
| 94 | V | 83.3 | Confident | 84.4 | Confident | 77 Ų | 77 | 54 Ų | 54 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.2 | -39.7 | 176 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | W89 G96 L97 Y98 | W89-V94 HydrophobicContact CE3-CG2 4.34Å; W89-V94 HydrophobicContact CH2-CG2 3.5Å; W89-V94 HydrophobicContact CZ2-CG2 4.15Å; W89-V94 HydrophobicContact CZ3-CB 4.36Å; W89-V94 HydrophobicContact CZ3-CG2 3.61Å; V94-G96 PolarHBondContact O-N 3.34Å; V94-L97 PolarHBondContact O-N 3.02Å; V94-Y98 HydrophobicContact CG1-CD2 4.12Å; V94-Y98 HydrophobicContact CG1-CE2 4.27Å; V94-Y98 WeakPolarHBondContact O-CD2 3.25Å; V94-Y98 PolarHBondContact O-N 2.91Å |
| 95 | R | 81.4 | Confident | 84.7 | Confident | 170 Ų | 170 | 56.8 Ų | 56.8 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.6 | -31.8 | -179.6 | -170.8 | 173 | 174.6 | -177.3 | 0.4 | 111.9 | G93 Q99 | G93-R95 PolarHBondContact O-N 3.39Å; R95-Q99 WeakPolarHBondContact O-CG 3.1Å; R95-Q99 PolarHBondContact O-N 3.1Å |
| 96 | G | 81.4 | Confident | 85 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L61 E92 G93 V94 Y98 Q99 | L61-G96 WeakPolarHBondContact CD1-O 3.22Å; E92-G96 PolarHBondContact O-N 3.22Å; E92-G96 WeakPolarHBondContact OE2-CA 3.47Å; G93-G96 PolarHBondContact O-N 3.47Å; V94-G96 PolarHBondContact O-N 3.34Å; G96-Y98 PolarHBondContact O-N 3.01Å; G96-Q99 WeakPolarHBondContact O-CB 3.24Å; G96-Q99 WeakPolarHBondContact O-CG 3.26Å; G96-Q99 PolarHBondContact O-N 3.44Å; G96-Q99 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 84.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -31.7 | 179 | -72.4 | -174.9 | 0 | 0 | 0 | 113.2 | H57 P58 V88 W89 G93 V94 | H57-L97 PolarHBondContact CD2-O 3.46Å; P58-L97 HydrophobicContact CB-CD2 4.45Å; V88-L97 HydrophobicContact CB-CD2 3.93Å; V88-L97 HydrophobicContact CG1-CD2 3.81Å; V88-L97 HydrophobicContact CG1-CG 4.31Å; W89-L97 HydrophobicContact CE3-CD1 3.59Å; W89-L97 HydrophobicContact CE3-CG 4.48Å; W89-L97 HydrophobicContact CZ3-CD1 4.13Å; G93-L97 PolarHBondContact O-N 2.91Å; V94-L97 PolarHBondContact O-N 3.02Å |
| 98 | Y | 86.8 | Confident | 85.3 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 35% | 0.349 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 12.3 | -180 | -73 | -94.1 | 0 | 0 | 0 | 114.3 | L54 H57 V94 G96 G100 V101 | L54-Y98 VanDerWaalsContact O-CE1 3.27Å; L54-Y98 WeakPolarHBondContact O-CE1 3.25Å; H57-Y98 HydrophobicContact CB-CD1 4.4Å; H57-Y98 HydrophobicContact CB-CE1 4.47Å; V94-Y98 HydrophobicContact CG1-CD2 4.12Å; V94-Y98 HydrophobicContact CG1-CE2 4.27Å; V94-Y98 WeakPolarHBondContact O-CD2 3.25Å; V94-Y98 PolarHBondContact O-N 2.91Å; G96-Y98 PolarHBondContact O-N 3.01Å; Y98-G100 PolarHBondContact O-N 3.44Å; Y98-V101 WeakPolarHBondContact O-CB 3.5Å; Y98-V101 VanDerWaalsContact O-CG1 3.23Å; Y98-V101 WeakPolarHBondContact O-CG1 3.2Å; Y98-V101 PolarHBondContact O-N 3.48Å |
| 99 | Q | 85 | Confident | 85.4 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 133.8 | 174.2 | -75.8 | 174.4 | 1.9 | 0 | 0 | 111.1 | H57 E92 R95 G96 V101 L164 V165 Q167 | H57-Q99 PolarHBondContact CE1-O 2.84Å; H57-Q99 PolarHBondContact NE2-O 3.04Å; E92-Q99 PolarHBondContact OE2-NE2 2.98Å; E92-Q99 PolarHBondContact OE2-OE1 3.47Å; R95-Q99 WeakPolarHBondContact O-CG 3.1Å; R95-Q99 PolarHBondContact O-N 3.1Å; G96-Q99 WeakPolarHBondContact O-CB 3.24Å; G96-Q99 WeakPolarHBondContact O-CG 3.26Å; G96-Q99 PolarHBondContact O-N 3.44Å; G96-Q99 VanDerWaalsContact O-N 3.08Å; Q99-V101 VanDerWaalsContact C-N 3.31Å; Q99-V101 PolarHBondContact O-N 2.89Å; Q99-L164 PolarHBondContact OE1-O 2.89Å; Q99-L164 VanDerWaalsContact OE1-O 3.1Å; Q99-V165 WeakPolarHBondContact O-CG2 3.34Å; Q99-Q167 PolarHBondContact OE1-O 2.86Å |
| 100 | G | 85.2 | Confident | 85.7 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y98 P103 N104 | Y98-G100 PolarHBondContact O-N 3.44Å; G100-P103 VanDerWaalsContact O-CD 3.3Å; G100-P103 WeakPolarHBondContact O-CD 3.05Å; G100-P103 VanDerWaalsContact O-CG 3.27Å; G100-P103 WeakPolarHBondContact O-CG 2.91Å; G100-N104 WeakPolarHBondContact O-CB 3.3Å; G100-N104 PolarHBondContact O-N 2.85Å |
| 101 | V | 88.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 175.3 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | L54 H57 Y98 Q99 N104 I105 | L54-V101 HydrophobicContact CD2-CG2 3.68Å; H57-V101 VanDerWaalsContact CE1-CA 3.41Å; H57-V101 WeakPolarHBondContact CE1-CA 3.27Å; H57-V101 PolarHBondContact CE1-N 3.09Å; H57-V101 VanDerWaalsContact CE1-N 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.5Å; Y98-V101 VanDerWaalsContact O-CG1 3.23Å; Y98-V101 WeakPolarHBondContact O-CG1 3.2Å; Y98-V101 PolarHBondContact O-N 3.48Å; Q99-V101 VanDerWaalsContact C-N 3.31Å; Q99-V101 PolarHBondContact O-N 2.89Å; V101-N104 VanDerWaalsContact O-CB 3.27Å; V101-N104 WeakPolarHBondContact O-CB 3.49Å; V101-N104 PolarHBondContact O-N 3.23Å; V101-N104 VanDerWaalsContact O-N 3.13Å; V101-I105 HydrophobicContact CG2-CD1 4.13Å; V101-I105 PolarHBondContact O-N 2.69Å |
| 102 | T | 89.3 | Confident | 86.3 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.7 | -55.6 | 177.8 | -48.6 | 0 | 0 | 0 | 0 | 112.8 | N104 I105 W106 M180 | T102-N104 PolarHBondContact O-N 2.95Å; T102-I105 PolarHBondContact O-N 2.6Å; T102-W106 VanDerWaalsContact O-CD1 3.24Å; T102-W106 PolarHBondContact O-N 3.42Å; T102-M180 HydrophobicContact CG2-SD 4.39Å |
| 103 | P | 89.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -21.6 | 176.2 | 28.3 | -37 | 0 | 0 | 0 | 112.7 | G100 G107 I157 K161 L164 M180 | G100-P103 VanDerWaalsContact O-CD 3.3Å; G100-P103 WeakPolarHBondContact O-CD 3.05Å; G100-P103 VanDerWaalsContact O-CG 3.27Å; G100-P103 WeakPolarHBondContact O-CG 2.91Å; P103-G107 VanDerWaalsContact O-CA 3.3Å; P103-G107 WeakPolarHBondContact O-CA 3.21Å; P103-G107 PolarHBondContact O-N 3.36Å; P103-I157 HydrophobicContact CB-CG2 3.86Å; P103-I157 VanDerWaalsContact O-CG2 3.28Å; P103-I157 WeakPolarHBondContact O-CG2 3.24Å; P103-K161 HydrophobicContact CB-CB 3.99Å; P103-K161 HydrophobicContact CG-CB 3.84Å; P103-K161 HydrophobicContact CG-CG 4.33Å; P103-L164 HydrophobicContact CG-CD1 4.03Å; P103-M180 HydrophobicContact CB-CG 4.13Å; P103-M180 HydrophobicContact CB-SD 3.8Å |
| 104 | N | 89.6 | Confident | 87.1 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67 | -50.4 | 173 | -163.3 | 23.6 | 0 | 0 | 0 | 111.6 | T53 G100 V101 T102 A108 K161 | T53-N104 WeakPolarHBondContact CG2-ND2 3.23Å; G100-N104 WeakPolarHBondContact O-CB 3.3Å; G100-N104 PolarHBondContact O-N 2.85Å; V101-N104 VanDerWaalsContact O-CB 3.27Å; V101-N104 WeakPolarHBondContact O-CB 3.49Å; V101-N104 PolarHBondContact O-N 3.23Å; V101-N104 VanDerWaalsContact O-N 3.13Å; T102-N104 PolarHBondContact O-N 2.95Å; N104-A108 WeakPolarHBondContact O-CB 3.33Å; N104-A108 PolarHBondContact O-N 2.91Å; N104-K161 HydrophobicContact CB-CD 4.1Å; N104-K161 PolarHBondContact OD1-NZ 3.38Å |
| 105 | I | 88.8 | Confident | 87.3 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -49.3 | 179.9 | -66 | 170 | 0 | 0 | 0 | 110.4 | V50 L54 V101 T102 A108 G109 | V50-I105 HydrophobicContact CG1-CD1 4.32Å; V50-I105 HydrophobicContact CG2-CG2 4.4Å; L54-I105 HydrophobicContact CD2-CD1 4.27Å; V101-I105 HydrophobicContact CG2-CD1 4.13Å; V101-I105 PolarHBondContact O-N 2.69Å; T102-I105 PolarHBondContact O-N 2.6Å; I105-A108 PolarHBondContact O-N 2.95Å; I105-G109 PolarHBondContact O-N 2.92Å |
| 106 | W | 90.2 | Very high | 87.6 | Confident | 155 Ų | 155 | 50.6 Ų | 50.6 | 59% | 0.587 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 178.6 | -79.1 | 62.5 | 0 | 0 | 0 | 111.5 | T102 A108 G109 L110 M180 | T102-W106 VanDerWaalsContact O-CD1 3.24Å; T102-W106 PolarHBondContact O-N 3.42Å; W106-A108 PolarHBondContact O-N 2.63Å; W106-G109 PolarHBondContact O-N 3.04Å; W106-L110 HydrophobicContact CE3-CD1 4.45Å; W106-L110 VanDerWaalsContact O-CB 3.25Å; W106-L110 WeakPolarHBondContact O-CB 3.08Å; W106-L110 VanDerWaalsContact O-CG 3.25Å; W106-L110 WeakPolarHBondContact O-CG 3.36Å; W106-L110 PolarHBondContact O-N 3.06Å; W106-M180 HydrophobicContact CB-CE 4.44Å; W106-M180 HydrophobicContact CB-SD 4.43Å |
| 107 | G | 88.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P103 S111 | P103-G107 VanDerWaalsContact O-CA 3.3Å; P103-G107 WeakPolarHBondContact O-CA 3.21Å; P103-G107 PolarHBondContact O-N 3.36Å; G107-S111 WeakPolarHBondContact O-CB 3.36Å; G107-S111 PolarHBondContact O-N 2.87Å; G107-S111 PolarHBondContact O-OG 3.14Å |
| 108 | A | 86.5 | Confident | 88.2 | Confident | 34 Ų | 34 | 58 Ų | 58 | 28% | 0.281 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -50.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N104 I105 W106 S111 W112 | N104-A108 WeakPolarHBondContact O-CB 3.33Å; N104-A108 PolarHBondContact O-N 2.91Å; I105-A108 PolarHBondContact O-N 2.95Å; W106-A108 PolarHBondContact O-N 2.63Å; A108-S111 PolarHBondContact O-N 3.29Å; A108-W112 VanDerWaalsContact O-CD1 3.26Å; A108-W112 PolarHBondContact O-N 3.41Å; A108-W112 VanDerWaalsContact O-N 3.09Å |
| 109 | G | 87.3 | Confident | 88.1 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I105 W106 S111 W112 G113 | I105-G109 PolarHBondContact O-N 2.92Å; W106-G109 PolarHBondContact O-N 3.04Å; G109-S111 PolarHBondContact O-N 3.1Å; G109-W112 PolarHBondContact O-N 3.21Å; G109-G113 PolarHBondContact O-N 2.92Å |
| 110 | L | 90.2 | Very high | 88.2 | Confident | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 177.6 | -70.8 | 172 | 0 | 0 | 0 | 112.3 | W106 G113 F114 T154 I157 | W106-L110 HydrophobicContact CE3-CD1 4.45Å; W106-L110 VanDerWaalsContact O-CB 3.25Å; W106-L110 WeakPolarHBondContact O-CB 3.08Å; W106-L110 VanDerWaalsContact O-CG 3.25Å; W106-L110 WeakPolarHBondContact O-CG 3.36Å; W106-L110 PolarHBondContact O-N 3.06Å; L110-G113 PolarHBondContact O-N 3.5Å; L110-F114 HydrophobicContact CB-CD2 4.19Å; L110-F114 HydrophobicContact CB-CE2 4.22Å; L110-F114 HydrophobicContact CD2-CE2 3.92Å; L110-F114 HydrophobicContact CD2-CZ 4.46Å; L110-F114 WeakPolarHBondContact O-CB 3.06Å; L110-F114 VanDerWaalsContact O-CD2 3.22Å; L110-F114 WeakPolarHBondContact O-CD2 3.06Å; L110-F114 PolarHBondContact O-N 3.02Å; L110-T154 HydrophobicContact CB-CG2 4.41Å; L110-I157 HydrophobicContact CD1-CD1 3.46Å; L110-I157 VanDerWaalsContact CD1-CD1 3.46Å |
| 111 | S | 88.6 | Confident | 88.2 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.154 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 177.4 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | G107 A108 G109 Y115 T150 T154 | G107-S111 WeakPolarHBondContact O-CB 3.36Å; G107-S111 PolarHBondContact O-N 2.87Å; G107-S111 PolarHBondContact O-OG 3.14Å; A108-S111 PolarHBondContact O-N 3.29Å; G109-S111 PolarHBondContact O-N 3.1Å; S111-Y115 WeakPolarHBondContact O-CB 3.31Å; S111-Y115 PolarHBondContact O-N 3.18Å; S111-T150 VanDerWaalsContact O-CG2 3.24Å; S111-T150 WeakPolarHBondContact O-CG2 3.39Å; S111-T154 WeakPolarHBondContact OG-CG2 3.27Å |
| 112 | W | 87.2 | Confident | 88.2 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 63% | 0.629 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.6 | -42.5 | 178.3 | -76.5 | 104.8 | 0 | 0 | 0 | 112.2 | A108 G109 Y115 F116 | A108-W112 VanDerWaalsContact O-CD1 3.26Å; A108-W112 PolarHBondContact O-N 3.41Å; A108-W112 VanDerWaalsContact O-N 3.09Å; G109-W112 PolarHBondContact O-N 3.21Å; W112-Y115 PolarHBondContact O-N 2.9Å; W112-F116 HydrophobicContact CE3-CD2 4.33Å; W112-F116 AromaticContact CE3-CE2 3.59Å; W112-F116 HydrophobicContact CE3-CE2 3.59Å; W112-F116 HydrophobicContact CE3-CZ 4.17Å; W112-F116 HydrophobicContact CZ3-CE2 4.1Å; W112-F116 HydrophobicContact CZ3-CZ 4.22Å; W112-F116 WeakPolarHBondContact O-CD2 3.34Å; W112-F116 PolarHBondContact O-N 3.26Å |
| 113 | G | 86.9 | Confident | 87.8 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -52.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G109 L110 Y115 F116 F117 | G109-G113 PolarHBondContact O-N 2.92Å; L110-G113 PolarHBondContact O-N 3.5Å; G113-Y115 PolarHBondContact O-N 3.45Å; G113-F116 PolarHBondContact O-N 2.87Å; G113-F117 VanDerWaalsContact O-CB 3.31Å; G113-F117 WeakPolarHBondContact O-CB 3.32Å; G113-F117 PolarHBondContact O-N 2.96Å |
| 114 | F | 91 | Very high | 87.5 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 177.7 | -74.3 | -50.3 | 0 | 0 | 0 | 112.7 | L110 F117 F118 T150 I153 | L110-F114 HydrophobicContact CB-CD2 4.19Å; L110-F114 HydrophobicContact CB-CE2 4.22Å; L110-F114 HydrophobicContact CD2-CE2 3.92Å; L110-F114 HydrophobicContact CD2-CZ 4.46Å; L110-F114 WeakPolarHBondContact O-CB 3.06Å; L110-F114 VanDerWaalsContact O-CD2 3.22Å; L110-F114 WeakPolarHBondContact O-CD2 3.06Å; L110-F114 PolarHBondContact O-N 3.02Å; F114-F117 PolarHBondContact O-N 2.6Å; F114-F118 HydrophobicContact CB-CD2 4.11Å; F114-F118 HydrophobicContact CB-CE2 3.91Å; F114-F118 HydrophobicContact CD1-CE2 4.2Å; F114-F118 HydrophobicContact CD1-CZ 4.49Å; F114-F118 HydrophobicContact CG-CE2 4.28Å; F114-F118 WeakPolarHBondContact O-CB 3.24Å; F114-F118 WeakPolarHBondContact O-CD2 3.22Å; F114-F118 WeakPolarHBondContact O-CG 3.44Å; F114-F118 PolarHBondContact O-N 3.26Å; F114-T150 HydrophobicContact CB-CG2 4.16Å; F114-I153 HydrophobicContact CD1-CD1 4.41Å; F114-I153 HydrophobicContact CD2-CB 4.43Å; F114-I153 HydrophobicContact CD2-CD1 4.43Å; F114-I153 HydrophobicContact CD2-CG2 3.94Å; F114-I153 HydrophobicContact CE1-CD1 4.45Å; F114-I153 HydrophobicContact CE2-CB 4.46Å; F114-I153 HydrophobicContact CE2-CD1 4.46Å; F114-I153 HydrophobicContact CE2-CG2 3.53Å; F114-I153 HydrophobicContact CG-CD1 4.42Å; F114-I153 HydrophobicContact CZ-CD1 4.47Å; F114-I153 HydrophobicContact CZ-CG2 4.17Å |
| 115 | Y | 88.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -51.7 | 176.2 | 178.2 | -95.8 | 0 | 0 | 0 | 111.2 | S111 W112 G113 F117 Y119 A146 T150 | S111-Y115 WeakPolarHBondContact O-CB 3.31Å; S111-Y115 PolarHBondContact O-N 3.18Å; W112-Y115 PolarHBondContact O-N 2.9Å; G113-Y115 PolarHBondContact O-N 3.45Å; Y115-F117 VanDerWaalsContact C-N 3.35Å; Y115-F117 PolarHBondContact O-N 2.9Å; Y115-Y119 WeakPolarHBondContact O-CB 3.39Å; Y115-Y119 PolarHBondContact O-N 3.29Å; Y115-A146 HydrophobicContact CD2-CB 4.29Å; Y115-A146 HydrophobicContact CE2-CB 4.28Å; Y115-T150 VanDerWaalsContact CA-OG1 3.26Å; Y115-T150 WeakPolarHBondContact CA-OG1 3.41Å; Y115-T150 PolarHBondContact N-OG1 3.09Å |
| 116 | F | 86.1 | Confident | 86.7 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.7 | -77.9 | -63.9 | 0 | 0 | 0 | 112.4 | W112 G113 N120 | W112-F116 HydrophobicContact CE3-CD2 4.33Å; W112-F116 AromaticContact CE3-CE2 3.59Å; W112-F116 HydrophobicContact CE3-CE2 3.59Å; W112-F116 HydrophobicContact CE3-CZ 4.17Å; W112-F116 HydrophobicContact CZ3-CE2 4.1Å; W112-F116 HydrophobicContact CZ3-CZ 4.22Å; W112-F116 WeakPolarHBondContact O-CD2 3.34Å; W112-F116 PolarHBondContact O-N 3.26Å; G113-F116 PolarHBondContact O-N 2.87Å; F116-N120 VanDerWaalsContact O-CB 3.23Å; F116-N120 WeakPolarHBondContact O-CB 3.43Å; F116-N120 VanDerWaalsContact O-CG 3.24Å; F116-N120 PolarHBondContact O-N 2.82Å; F116-N120 PolarHBondContact O-ND2 3.31Å |
| 117 | F | 88.8 | Confident | 86.1 | Confident | 132 Ų | 132 | 67.3 Ų | 67.3 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.6 | -55.5 | 175.7 | 176.8 | -98.1 | 0 | 0 | 0 | 111.6 | G113 F114 Y115 N120 A121 | G113-F117 VanDerWaalsContact O-CB 3.31Å; G113-F117 WeakPolarHBondContact O-CB 3.32Å; G113-F117 PolarHBondContact O-N 2.96Å; F114-F117 PolarHBondContact O-N 2.6Å; Y115-F117 VanDerWaalsContact C-N 3.35Å; Y115-F117 PolarHBondContact O-N 2.9Å; F117-N120 PolarHBondContact O-N 3.41Å; F117-A121 VanDerWaalsContact O-CB 3.28Å; F117-A121 WeakPolarHBondContact O-CB 3.29Å; F117-A121 PolarHBondContact O-N 2.93Å |
| 118 | F | 90.3 | Very high | 85.4 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.8 | -39.8 | -180 | -67.6 | -52.1 | 0 | 0 | 0 | 112.3 | F114 N120 A121 I122 A146 L149 I153 | F114-F118 HydrophobicContact CB-CD2 4.11Å; F114-F118 HydrophobicContact CB-CE2 3.91Å; F114-F118 HydrophobicContact CD1-CE2 4.2Å; F114-F118 HydrophobicContact CD1-CZ 4.49Å; F114-F118 HydrophobicContact CG-CE2 4.28Å; F114-F118 WeakPolarHBondContact O-CB 3.24Å; F114-F118 WeakPolarHBondContact O-CD2 3.22Å; F114-F118 WeakPolarHBondContact O-CG 3.44Å; F114-F118 PolarHBondContact O-N 3.26Å; F118-N120 PolarHBondContact O-N 2.93Å; F118-A121 PolarHBondContact O-N 3.28Å; F118-I122 WeakPolarHBondContact O-CB 3.32Å; F118-I122 WeakPolarHBondContact O-CD1 3.45Å; F118-I122 WeakPolarHBondContact O-CG1 3.47Å; F118-I122 PolarHBondContact O-N 3.31Å; F118-A146 HydrophobicContact CB-CB 3.89Å; F118-L149 HydrophobicContact CB-CD1 4.3Å; F118-L149 HydrophobicContact CD1-CB 4.42Å; F118-L149 HydrophobicContact CD1-CD1 3.89Å; F118-L149 HydrophobicContact CD2-CB 3.64Å; F118-L149 HydrophobicContact CD2-CD1 4.48Å; F118-L149 HydrophobicContact CE1-CD1 4.34Å; F118-L149 HydrophobicContact CE2-CB 3.78Å; F118-L149 HydrophobicContact CG-CB 3.99Å; F118-L149 HydrophobicContact CG-CD1 3.98Å; F118-L149 HydrophobicContact CZ-CB 4.26Å; F118-I153 HydrophobicContact CE2-CD1 3.75Å; F118-I153 HydrophobicContact CZ-CD1 3.7Å |
| 119 | Y | 85.7 | Confident | 84.3 | Confident | 41 Ų | 41 | 77 Ų | 77 | 16% | 0.161 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 177.6 | -179.7 | -101.1 | 0 | 0 | 0 | 111.4 | Y115 K123 H139 A143 | Y115-Y119 WeakPolarHBondContact O-CB 3.39Å; Y115-Y119 PolarHBondContact O-N 3.29Å; Y119-K123 HydrophobicContact CE1-CD 3.99Å; Y119-K123 WeakPolarHBondContact O-CB 3.5Å; Y119-K123 PolarHBondContact O-N 3.06Å; Y119-H139 PolarHBondContact OH-ND1 3.26Å; Y119-A143 HydrophobicContact CD2-CB 4.27Å; Y119-A143 HydrophobicContact CE2-CB 4.06Å |
| 120 | N | 85.1 | Confident | 83.5 | Confident | 93 Ų | 93 | 82.3 Ų | 82.3 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.5 | -37 | 178.1 | -71.7 | -27.9 | 0 | 0 | 0 | 112.3 | F116 F117 F118 G124 | F116-N120 VanDerWaalsContact O-CB 3.23Å; F116-N120 WeakPolarHBondContact O-CB 3.43Å; F116-N120 VanDerWaalsContact O-CG 3.24Å; F116-N120 PolarHBondContact O-N 2.82Å; F116-N120 PolarHBondContact O-ND2 3.31Å; F117-N120 PolarHBondContact O-N 3.41Å; F118-N120 PolarHBondContact O-N 2.93Å; N120-G124 PolarHBondContact O-N 2.83Å |
| 121 | A | 87.1 | Confident | 81.9 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 44% | 0.438 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F117 F118 G124 Y125 | F117-A121 VanDerWaalsContact O-CB 3.28Å; F117-A121 WeakPolarHBondContact O-CB 3.29Å; F117-A121 PolarHBondContact O-N 2.93Å; F118-A121 PolarHBondContact O-N 3.28Å; A121-G124 PolarHBondContact O-N 3.23Å; A121-Y125 PolarHBondContact O-N 2.82Å |
| 122 | I | 86.9 | Confident | 80.8 | Confident | 42 Ų | 42 | 91.6 Ų | 91.6 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 177.5 | -65.2 | 164.1 | 0 | 0 | 0 | 110 | F118 G124 Y125 T126 A145 A146 L149 | F118-I122 WeakPolarHBondContact O-CB 3.32Å; F118-I122 WeakPolarHBondContact O-CD1 3.45Å; F118-I122 WeakPolarHBondContact O-CG1 3.47Å; F118-I122 PolarHBondContact O-N 3.31Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.43Å; I122-Y125 PolarHBondContact O-N 3.47Å; I122-T126 PolarHBondContact O-N 3.27Å; I122-T126 PolarHBondContact O-OG1 3.48Å; I122-A145 HydrophobicContact CD1-CB 3.8Å; I122-A146 HydrophobicContact CD1-CB 4.24Å; I122-L149 HydrophobicContact CD1-CD1 4.32Å |
| 123 | K | 81.9 | Confident | 80.1 | Confident | 56 Ų | 56 | 92.3 Ų | 92.3 | 24% | 0.243 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 177.3 | -175.7 | 175.5 | 179.3 | 174.8 | 0 | 112.2 | Y119 K127 L134 | Y119-K123 HydrophobicContact CE1-CD 3.99Å; Y119-K123 WeakPolarHBondContact O-CB 3.5Å; Y119-K123 PolarHBondContact O-N 3.06Å; K123-K127 HydrophobicContact CG-CD 4.43Å; K123-K127 WeakPolarHBondContact O-CB 3.36Å; K123-K127 WeakPolarHBondContact O-CG 3.48Å; K123-K127 PolarHBondContact O-N 3.47Å; K123-K127 VanDerWaalsContact O-N 3.1Å; K123-L134 HydrophobicContact CD-CD1 4.48Å; K123-L134 HydrophobicContact CG-CD1 3.7Å |
| 124 | G | 82.7 | Confident | 79.3 | Confident | 40 Ų | 40 | 90.9 Ų | 90.9 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | N120 A121 I122 K127 E128 | N120-G124 PolarHBondContact O-N 2.83Å; A121-G124 PolarHBondContact O-N 3.23Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.43Å; G124-K127 PolarHBondContact O-N 2.92Å; G124-E128 PolarHBondContact O-N 3.01Å |
| 125 | Y | 83.2 | Confident | 78.7 | Confident | 182 Ų | 182 | 90.5 Ų | 90.5 | 71% | 0.714 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 177.2 | -170.9 | -98 | 0 | 0 | 0 | 112.7 | A121 I122 K127 E128 | A121-Y125 PolarHBondContact O-N 2.82Å; I122-Y125 PolarHBondContact O-N 3.47Å; Y125-K127 VanDerWaalsContact C-N 3.29Å; Y125-K127 PolarHBondContact O-N 2.86Å; Y125-E128 WeakPolarHBondContact O-CB 3.42Å; Y125-E128 PolarHBondContact O-N 3.26Å |
| 126 | T | 79 | Confident | 78.2 | Confident | 41 Ų | 41 | 92 Ų | 92 | 25% | 0.252 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.6 | -27.9 | 179.1 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | I122 L134 | I122-T126 PolarHBondContact O-N 3.27Å; I122-T126 PolarHBondContact O-OG1 3.48Å; T126-L134 HydrophobicContact CG2-CD2 3.48Å; T126-L134 VanDerWaalsContact CG2-CD2 3.48Å |
| 127 | K | 77.4 | Confident | 77.9 | Confident | 88 Ų | 88 | 89.8 Ų | 89.8 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -82.3 | -18.2 | 174.9 | -75.7 | -172.9 | 171.8 | -155.5 | 0 | 113.2 | K123 G124 Y125 G129 R130 L134 | K123-K127 HydrophobicContact CG-CD 4.43Å; K123-K127 WeakPolarHBondContact O-CB 3.36Å; K123-K127 WeakPolarHBondContact O-CG 3.48Å; K123-K127 PolarHBondContact O-N 3.47Å; K123-K127 VanDerWaalsContact O-N 3.1Å; G124-K127 PolarHBondContact O-N 2.92Å; Y125-K127 VanDerWaalsContact C-N 3.29Å; Y125-K127 PolarHBondContact O-N 2.86Å; K127-G129 PolarHBondContact O-N 2.91Å; K127-R130 PolarHBondContact O-N 3.42Å; K127-R130 VanDerWaalsContact O-N 3.1Å; K127-L134 HydrophobicContact CG-CD1 4.08Å; K127-L134 HydrophobicContact CG-CD2 4.17Å; K127-L134 HydrophobicContact CG-CG 4.03Å |
| 128 | E | 73.7 | Confident | 77.6 | Confident | 155 Ų | 155 | 86.3 Ų | 86.3 | 72% | 0.724 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 108.2 | -179.3 | -159.9 | 167.2 | -174.5 | 0 | 0 | 109.6 | G124 Y125 | G124-E128 PolarHBondContact O-N 3.01Å; Y125-E128 WeakPolarHBondContact O-CB 3.42Å; Y125-E128 PolarHBondContact O-N 3.26Å |
| 129 | G | 62.4 | Low | 77.3 | Confident | 82 Ų | 82 | 87.2 Ų | 87.2 | 85% | 0.845 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.7 | 3.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K127 | K127-G129 PolarHBondContact O-N 2.91Š|
| 130 | R | 69.7 | Low | 77.2 | Confident | 154 Ų | 154 | 90.9 Ų | 90.9 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | trans | -129.1 | 131.9 | 175.6 | -73.7 | 178.2 | 167.2 | 173.2 | -4.1 | 111.9 | K127 E138 | K127-R130 PolarHBondContact O-N 3.42Å; K127-R130 VanDerWaalsContact O-N 3.1Å; R130-E138 IonicContact NH1-OE1 3.78Å; R130-E138 PolarHBondContact NH1-OE1 2.91Å | ||
| 131 | Q | 57.3 | Low | 77.2 | Confident | 211 Ų | 211 | 91.3 Ų | 91.3 | 99% | 0.986 | 50% | 0.504 | S | S | * | . | trans | -86.9 | -4.8 | 170.7 | -69.5 | -149.4 | -2.7 | 0 | 0 | 113.8 | ||||
| 132 | A | 66.2 | Low | 77.1 | Confident | 70 Ų | 70 | 89 Ų | 89 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -84.4 | 147.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 133 | E | 71.8 | Confident | 77.1 | Confident | 181 Ų | 181 | 88.2 Ų | 88.2 | 85% | 0.846 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 147.2 | 168.6 | -64 | -161.1 | 143.2 | 0 | 0 | 110.8 | ||
| 134 | L | 70.7 | Confident | 77.4 | Confident | 13 Ų | 13 | 87.6 Ų | 87.6 | 7% | 0.068 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 140.5 | -178.8 | -66.9 | 171.1 | 0 | 0 | 0 | 110 | K123 T126 K127 E138 | K123-L134 HydrophobicContact CD-CD1 4.48Å; K123-L134 HydrophobicContact CG-CD1 3.7Å; T126-L134 HydrophobicContact CG2-CD2 3.48Å; T126-L134 VanDerWaalsContact CG2-CD2 3.48Å; K127-L134 HydrophobicContact CG-CD1 4.08Å; K127-L134 HydrophobicContact CG-CD2 4.17Å; K127-L134 HydrophobicContact CG-CG 4.03Å; L134-E138 WeakPolarHBondContact CA-OE2 3.28Å; L134-E138 HydrophobicContact CB-CB 4.28Å; L134-E138 HydrophobicContact CD2-CB 4.38Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.37Å |
| 135 | S | 78.7 | Confident | 77.8 | Confident | 56 Ų | 56 | 87.4 Ų | 87.4 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -62 | 149 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | A137 E138 H139 | S135-A137 PolarHBondContact O-N 3.18Å; S135-A137 VanDerWaalsContact O-N 3.1Å; S135-A137 PolarHBondContact OG-N 3.34Å; S135-E138 PolarHBondContact N-OE2 2.75Å; S135-E138 WeakPolarHBondContact O-CB 3.33Å; S135-E138 PolarHBondContact O-N 3.14Å; S135-H139 PolarHBondContact O-N 2.91Å |
| 136 | P | 77.5 | Confident | 78.1 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 66% | 0.656 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -51.2 | -33.6 | 172.2 | -27.8 | 35.1 | 0 | 0 | 0 | 113.4 | H139 L140 | P136-H139 PolarHBondContact O-N 2.85Å; P136-L140 WeakPolarHBondContact O-CG 3.21Å; P136-L140 PolarHBondContact O-N 3.13Å |
| 137 | A | 79.9 | Confident | 78.6 | Confident | 58 Ų | 58 | 77.3 Ų | 77.3 | 48% | 0.479 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S135 H139 L140 V141 | S135-A137 PolarHBondContact O-N 3.18Å; S135-A137 VanDerWaalsContact O-N 3.1Å; S135-A137 PolarHBondContact OG-N 3.34Å; A137-H139 VanDerWaalsContact C-N 3.31Å; A137-H139 PolarHBondContact O-N 3.35Å; A137-L140 PolarHBondContact O-N 3.22Å; A137-V141 WeakPolarHBondContact O-CG2 3.26Å; A137-V141 PolarHBondContact O-N 3.03Å |
| 138 | E | 81.8 | Confident | 79.3 | Confident | 59 Ų | 59 | 76.5 Ų | 76.5 | 28% | 0.276 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 177 | -67.2 | 174.9 | 148.3 | 0 | 0 | 111 | R130 L134 S135 S142 | R130-E138 IonicContact NH1-OE1 3.78Å; R130-E138 PolarHBondContact NH1-OE1 2.91Å; L134-E138 WeakPolarHBondContact CA-OE2 3.28Å; L134-E138 HydrophobicContact CB-CB 4.28Å; L134-E138 HydrophobicContact CD2-CB 4.38Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.37Å; S135-E138 PolarHBondContact N-OE2 2.75Å; S135-E138 WeakPolarHBondContact O-CB 3.33Å; S135-E138 PolarHBondContact O-N 3.14Å; E138-S142 VanDerWaalsContact O-CB 3.26Å; E138-S142 WeakPolarHBondContact O-CB 3.48Å; E138-S142 PolarHBondContact O-N 3.29Å; E138-S142 PolarHBondContact O-OG 3.26Å |
| 139 | H | 83.8 | Confident | 80.2 | Confident | 56 Ų | 56 | 72.8 Ų | 72.8 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 171.8 | -83.1 | -56.8 | 0 | 0 | 0 | 112.7 | Y119 S135 P136 A137 S142 A143 | Y119-H139 PolarHBondContact OH-ND1 3.26Å; S135-H139 PolarHBondContact O-N 2.91Å; P136-H139 PolarHBondContact O-N 2.85Å; A137-H139 VanDerWaalsContact C-N 3.31Å; A137-H139 PolarHBondContact O-N 3.35Å; H139-S142 PolarHBondContact O-N 3.12Å; H139-A143 VanDerWaalsContact O-CB 3.27Å; H139-A143 WeakPolarHBondContact O-CB 3.37Å; H139-A143 PolarHBondContact O-N 3.31Å |
| 140 | L | 83.5 | Confident | 81.6 | Confident | 118 Ų | 118 | 69.3 Ų | 69.3 | 62% | 0.618 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 176.4 | -80.4 | 170.2 | 0 | 0 | 0 | 112.1 | P136 A137 S142 A143 A144 | P136-L140 WeakPolarHBondContact O-CG 3.21Å; P136-L140 PolarHBondContact O-N 3.13Å; A137-L140 PolarHBondContact O-N 3.22Å; L140-S142 PolarHBondContact O-N 3.47Å; L140-A143 PolarHBondContact O-N 2.98Å; L140-A144 WeakPolarHBondContact O-CB 3.33Å; L140-A144 PolarHBondContact O-N 2.76Å |
| 141 | V | 85.6 | Confident | 82.6 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 62% | 0.618 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 177.8 | 173 | 0 | 0 | 0 | 0 | 110.8 | A137 A144 A145 | A137-V141 WeakPolarHBondContact O-CG2 3.26Å; A137-V141 PolarHBondContact O-N 3.03Å; V141-A144 PolarHBondContact O-N 3.19Å; V141-A145 WeakPolarHBondContact O-CB 3.3Å; V141-A145 PolarHBondContact O-N 2.94Å |
| 142 | S | 86.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.3 | -57.2 | 0 | 0 | 0 | 0 | 112 | E138 H139 L140 A146 | E138-S142 VanDerWaalsContact O-CB 3.26Å; E138-S142 WeakPolarHBondContact O-CB 3.48Å; E138-S142 PolarHBondContact O-N 3.29Å; E138-S142 PolarHBondContact O-OG 3.26Å; H139-S142 PolarHBondContact O-N 3.12Å; L140-S142 PolarHBondContact O-N 3.47Å; S142-A146 VanDerWaalsContact O-CB 3.31Å; S142-A146 WeakPolarHBondContact O-CB 3.27Å; S142-A146 PolarHBondContact O-N 3.42Å |
| 143 | A | 86.2 | Confident | 85.6 | Confident | 25 Ų | 25 | 55 Ų | 55 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y119 H139 L140 G147 | Y119-A143 HydrophobicContact CD2-CB 4.27Å; Y119-A143 HydrophobicContact CE2-CB 4.06Å; H139-A143 VanDerWaalsContact O-CB 3.27Å; H139-A143 WeakPolarHBondContact O-CB 3.37Å; H139-A143 PolarHBondContact O-N 3.31Å; L140-A143 PolarHBondContact O-N 2.98Å; A143-G147 PolarHBondContact O-N 3.43Å |
| 144 | A | 88.3 | Confident | 86.5 | Confident | 43 Ų | 43 | 46.5 Ų | 46.5 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L140 V141 A146 G147 I148 | L140-A144 WeakPolarHBondContact O-CB 3.33Å; L140-A144 PolarHBondContact O-N 2.76Å; V141-A144 PolarHBondContact O-N 3.19Å; A144-A146 PolarHBondContact O-N 2.91Å; A144-G147 PolarHBondContact O-N 3.41Å; A144-I148 VanDerWaalsContact O-CG1 3.26Å; A144-I148 WeakPolarHBondContact O-CG1 3.3Å; A144-I148 PolarHBondContact O-N 3.17Å |
| 145 | A | 89.8 | Confident | 87.6 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I122 V141 G147 I148 L149 | I122-A145 HydrophobicContact CD1-CB 3.8Å; V141-A145 WeakPolarHBondContact O-CB 3.3Å; V141-A145 PolarHBondContact O-N 2.94Å; A145-G147 VanDerWaalsContact C-N 3.32Å; A145-G147 PolarHBondContact O-N 3.14Å; A145-I148 PolarHBondContact O-N 3.48Å; A145-L149 WeakPolarHBondContact O-CG 3.23Å; A145-L149 PolarHBondContact O-N 2.82Å |
| 146 | A | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y115 F118 I122 S142 A144 T150 | Y115-A146 HydrophobicContact CD2-CB 4.29Å; Y115-A146 HydrophobicContact CE2-CB 4.28Å; F118-A146 HydrophobicContact CB-CB 3.89Å; I122-A146 HydrophobicContact CD1-CB 4.24Å; S142-A146 VanDerWaalsContact O-CB 3.31Å; S142-A146 WeakPolarHBondContact O-CB 3.27Å; S142-A146 PolarHBondContact O-N 3.42Å; A144-A146 PolarHBondContact O-N 2.91Å; A146-T150 VanDerWaalsContact O-CB 3.26Å; A146-T150 WeakPolarHBondContact O-CB 3.27Å; A146-T150 PolarHBondContact O-N 3.33Å; A146-T150 PolarHBondContact O-OG1 2.85Å |
| 147 | G | 89.8 | Confident | 89 | Confident | 10 Ų | 10 | 40 Ų | 40 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A143 A144 A145 T150 L151 | A143-G147 PolarHBondContact O-N 3.43Å; A144-G147 PolarHBondContact O-N 3.41Å; A145-G147 VanDerWaalsContact C-N 3.32Å; A145-G147 PolarHBondContact O-N 3.14Å; G147-T150 PolarHBondContact O-N 3.01Å; G147-L151 WeakPolarHBondContact O-CB 3.14Å; G147-L151 PolarHBondContact O-N 2.83Å |
| 148 | I | 92.1 | Very high | 89.5 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 178 | -67.2 | 167.9 | 0 | 0 | 0 | 111 | A144 A145 T150 L151 T152 L204 | A144-I148 VanDerWaalsContact O-CG1 3.26Å; A144-I148 WeakPolarHBondContact O-CG1 3.3Å; A144-I148 PolarHBondContact O-N 3.17Å; A145-I148 PolarHBondContact O-N 3.48Å; I148-T150 VanDerWaalsContact C-N 3.33Å; I148-T150 PolarHBondContact O-N 3.38Å; I148-L151 PolarHBondContact O-N 3.34Å; I148-T152 PolarHBondContact O-N 3.04Å; I148-T152 PolarHBondContact O-OG1 3.21Å; I148-L204 HydrophobicContact CB-CD2 4.46Å; I148-L204 HydrophobicContact CG1-CD2 3.83Å; I148-L204 HydrophobicContact CG2-CD2 4.29Å |
| 149 | L | 92.6 | Very high | 89.9 | Confident | 77 Ų | 77 | 36.9 Ų | 36.9 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.3 | -69.2 | 172.9 | 0 | 0 | 0 | 111.2 | F118 I122 A145 L151 T152 I153 | F118-L149 HydrophobicContact CB-CD1 4.3Å; F118-L149 HydrophobicContact CD1-CB 4.42Å; F118-L149 HydrophobicContact CD1-CD1 3.89Å; F118-L149 HydrophobicContact CD2-CB 3.64Å; F118-L149 HydrophobicContact CD2-CD1 4.48Å; F118-L149 HydrophobicContact CE1-CD1 4.34Å; F118-L149 HydrophobicContact CE2-CB 3.78Å; F118-L149 HydrophobicContact CG-CB 3.99Å; F118-L149 HydrophobicContact CG-CD1 3.98Å; F118-L149 HydrophobicContact CZ-CB 4.26Å; I122-L149 HydrophobicContact CD1-CD1 4.32Å; A145-L149 WeakPolarHBondContact O-CG 3.23Å; A145-L149 PolarHBondContact O-N 2.82Å; L149-L151 PolarHBondContact O-N 2.92Å; L149-T152 WeakPolarHBondContact O-CB 3.39Å; L149-T152 PolarHBondContact O-N 3.13Å; L149-I153 PolarHBondContact O-N 3.07Å |
| 150 | T | 92.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | S111 F114 Y115 A146 G147 I148 T152 I153 T154 | S111-T150 VanDerWaalsContact O-CG2 3.24Å; S111-T150 WeakPolarHBondContact O-CG2 3.39Å; F114-T150 HydrophobicContact CB-CG2 4.16Å; Y115-T150 VanDerWaalsContact CA-OG1 3.26Å; Y115-T150 WeakPolarHBondContact CA-OG1 3.41Å; Y115-T150 PolarHBondContact N-OG1 3.09Å; A146-T150 VanDerWaalsContact O-CB 3.26Å; A146-T150 WeakPolarHBondContact O-CB 3.27Å; A146-T150 PolarHBondContact O-N 3.33Å; A146-T150 PolarHBondContact O-OG1 2.85Å; G147-T150 PolarHBondContact O-N 3.01Å; I148-T150 VanDerWaalsContact C-N 3.33Å; I148-T150 PolarHBondContact O-N 3.38Å; T150-T152 VanDerWaalsContact C-N 3.3Å; T150-T152 PolarHBondContact O-N 3.43Å; T150-I153 PolarHBondContact O-N 3.3Å; T150-T154 HydrophobicContact CG2-CG2 4.18Å; T150-T154 WeakPolarHBondContact O-CB 3.43Å; T150-T154 VanDerWaalsContact O-CG2 3.27Å; T150-T154 WeakPolarHBondContact O-CG2 3.44Å; T150-T154 PolarHBondContact O-N 2.85Å; T150-T154 PolarHBondContact O-OG1 3.42Å |
| 151 | L | 91.1 | Very high | 90.6 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 177.9 | -178.3 | 64.5 | 0 | 0 | 0 | 111.2 | G147 I148 L149 I153 T154 N155 Y200 G203 L204 | G147-L151 WeakPolarHBondContact O-CB 3.14Å; G147-L151 PolarHBondContact O-N 2.83Å; I148-L151 PolarHBondContact O-N 3.34Å; L149-L151 PolarHBondContact O-N 2.92Å; L151-I153 VanDerWaalsContact C-N 3.25Å; L151-I153 PolarHBondContact O-N 3.4Å; L151-T154 PolarHBondContact O-N 3.32Å; L151-N155 HydrophobicContact CD1-CB 4.34Å; L151-N155 WeakPolarHBondContact O-CB 3.27Å; L151-N155 PolarHBondContact O-N 3.36Å; L151-Y200 HydrophobicContact CB-CE2 4.26Å; L151-Y200 HydrophobicContact CD2-CD2 3.89Å; L151-Y200 HydrophobicContact CD2-CE2 3.77Å; L151-Y200 HydrophobicContact CG-CD2 3.88Å; L151-Y200 HydrophobicContact CG-CE2 3.71Å; L151-G203 VanDerWaalsContact CD2-C 3.45Å; L151-L204 HydrophobicContact CD2-CD2 3.78Å; L151-L204 HydrophobicContact CD2-CG 4.04Å |
| 152 | T | 92.5 | Very high | 90.7 | Very high | 46 Ų | 46 | 25 Ų | 25 | 28% | 0.282 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.9 | -38.5 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | I148 L149 T150 Y197 Y200 | I148-T152 PolarHBondContact O-N 3.04Å; I148-T152 PolarHBondContact O-OG1 3.21Å; L149-T152 WeakPolarHBondContact O-CB 3.39Å; L149-T152 PolarHBondContact O-N 3.13Å; T150-T152 VanDerWaalsContact C-N 3.3Å; T150-T152 PolarHBondContact O-N 3.43Å; T152-Y197 HydrophobicContact CG2-CE1 4.2Å; T152-Y197 VanDerWaalsContact O-CE1 3.31Å; T152-Y197 WeakPolarHBondContact O-CE1 3.33Å; T152-Y197 PolarHBondContact O-OH 3.2Å; T152-Y200 PolarHBondContact OG1-OH 3.37Å; T152-Y200 VanDerWaalsContact OG1-OH 3.06Å |
| 153 | I | 92.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 24.9 Ų | 24.9 | 37% | 0.369 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -81.8 | -37.5 | 179.1 | -60 | 176.7 | 0 | 0 | 0 | 111.5 | F114 F118 L149 T150 L151 P156 | F114-I153 HydrophobicContact CD1-CD1 4.41Å; F114-I153 HydrophobicContact CD2-CB 4.43Å; F114-I153 HydrophobicContact CD2-CD1 4.43Å; F114-I153 HydrophobicContact CD2-CG2 3.94Å; F114-I153 HydrophobicContact CE1-CD1 4.45Å; F114-I153 HydrophobicContact CE2-CB 4.46Å; F114-I153 HydrophobicContact CE2-CD1 4.46Å; F114-I153 HydrophobicContact CE2-CG2 3.53Å; F114-I153 HydrophobicContact CG-CD1 4.42Å; F114-I153 HydrophobicContact CZ-CD1 4.47Å; F114-I153 HydrophobicContact CZ-CG2 4.17Å; F118-I153 HydrophobicContact CE2-CD1 3.75Å; F118-I153 HydrophobicContact CZ-CD1 3.7Å; L149-I153 PolarHBondContact O-N 3.07Å; T150-I153 PolarHBondContact O-N 3.3Å; L151-I153 VanDerWaalsContact C-N 3.25Å; L151-I153 PolarHBondContact O-N 3.4Å; I153-P156 WeakPolarHBondContact O-CD 3.4Å |
| 154 | T | 92.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -90.6 | -17.6 | -171.2 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | L110 S111 T150 L151 P156 I157 W158 | L110-T154 HydrophobicContact CB-CG2 4.41Å; S111-T154 WeakPolarHBondContact OG-CG2 3.27Å; T150-T154 HydrophobicContact CG2-CG2 4.18Å; T150-T154 WeakPolarHBondContact O-CB 3.43Å; T150-T154 VanDerWaalsContact O-CG2 3.27Å; T150-T154 WeakPolarHBondContact O-CG2 3.44Å; T150-T154 PolarHBondContact O-N 2.85Å; T150-T154 PolarHBondContact O-OG1 3.42Å; L151-T154 PolarHBondContact O-N 3.32Å; T154-P156 VanDerWaalsContact C-CD 3.48Å; T154-I157 WeakPolarHBondContact O-CB 3.31Å; T154-I157 PolarHBondContact O-N 3.4Å; T154-W158 PolarHBondContact O-N 2.91Å; T154-W158 VanDerWaalsContact O-N 3.14Å |
| 155 | N | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.7 | -42.9 | -177.9 | -164.4 | 74.6 | 0 | 0 | 0 | 113.9 | L151 I157 W158 V159 L196 Y197 K198 Y200 R263 | L151-N155 HydrophobicContact CD1-CB 4.34Å; L151-N155 WeakPolarHBondContact O-CB 3.27Å; L151-N155 PolarHBondContact O-N 3.36Å; N155-I157 PolarHBondContact O-N 3Å; N155-W158 PolarHBondContact O-N 3.48Å; N155-V159 WeakPolarHBondContact O-CG2 3.22Å; N155-V159 PolarHBondContact O-N 3.33Å; N155-L196 PolarHBondContact ND2-O 3Å; N155-Y197 WeakPolarHBondContact ND2-CA 3.39Å; N155-K198 PolarHBondContact ND2-O 2.99Å; N155-Y200 HydrophobicContact CB-CD2 4.34Å; N155-R263 PolarHBondContact OD1-NH2 3.44Å |
| 156 | P | 92.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 12% | 0.117 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.8 | -36.4 | 175.4 | -27 | 36.1 | 0 | 0 | 0 | 113.6 | I153 T154 T160 L184 L196 | I153-P156 WeakPolarHBondContact O-CD 3.4Å; T154-P156 VanDerWaalsContact C-CD 3.48Å; P156-T160 WeakPolarHBondContact O-CB 3.28Å; P156-T160 PolarHBondContact O-N 3.46Å; P156-T160 PolarHBondContact O-OG1 3.24Å; P156-L184 HydrophobicContact CB-CD2 3.94Å; P156-L196 HydrophobicContact CB-CB 4.19Å; P156-L196 HydrophobicContact CB-CD2 4.23Å; P156-L196 HydrophobicContact CG-CB 4.2Å |
| 157 | I | 92.7 | Very high | 89.9 | Confident | 16 Ų | 16 | 21.2 Ų | 21.2 | 8% | 0.082 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.3 | -42.8 | 177.6 | -55.8 | 178.1 | 0 | 0 | 0 | 110.1 | P103 L110 T154 N155 T160 K161 M180 | P103-I157 HydrophobicContact CB-CG2 3.86Å; P103-I157 VanDerWaalsContact O-CG2 3.28Å; P103-I157 WeakPolarHBondContact O-CG2 3.24Å; L110-I157 HydrophobicContact CD1-CD1 3.46Å; L110-I157 VanDerWaalsContact CD1-CD1 3.46Å; T154-I157 WeakPolarHBondContact O-CB 3.31Å; T154-I157 PolarHBondContact O-N 3.4Å; N155-I157 PolarHBondContact O-N 3Å; I157-T160 WeakPolarHBondContact O-CB 3.37Å; I157-T160 PolarHBondContact O-N 2.96Å; I157-K161 PolarHBondContact O-N 3.22Å; I157-M180 HydrophobicContact CB-CE 4.34Å; I157-M180 HydrophobicContact CD1-CE 4.23Å; I157-M180 HydrophobicContact CG1-CE 3.9Å; I157-M180 HydrophobicContact CG2-CE 3.8Å |
| 158 | W | 90.4 | Very high | 89.1 | Confident | 50 Ų | 50 | 23 Ų | 23 | 19% | 0.189 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 176.6 | -68.1 | 112.9 | 0 | 0 | 0 | 112.7 | T154 N155 T160 K161 T162 R263 | T154-W158 PolarHBondContact O-N 2.91Å; T154-W158 VanDerWaalsContact O-N 3.14Å; N155-W158 PolarHBondContact O-N 3.48Å; W158-T160 VanDerWaalsContact C-N 3.31Å; W158-T160 PolarHBondContact O-N 3.49Å; W158-K161 HydrophobicContact CE3-CD 3.82Å; W158-K161 HydrophobicContact CZ3-CD 3.75Å; W158-K161 WeakPolarHBondContact O-CB 3.3Å; W158-K161 PolarHBondContact O-N 3.05Å; W158-T162 PolarHBondContact O-N 2.96Å; W158-T162 PolarHBondContact O-OG1 3.43Å; W158-R263 VanDerWaalsContact CB-NH2 3.34Å |
| 159 | V | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 173.1 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | N155 K161 T162 R163 I187 L196 K198 Q267 | N155-V159 WeakPolarHBondContact O-CG2 3.22Å; N155-V159 PolarHBondContact O-N 3.33Å; V159-K161 VanDerWaalsContact C-N 3.35Å; V159-K161 PolarHBondContact O-N 3.04Å; V159-T162 PolarHBondContact O-N 2.99Å; V159-R163 HydrophobicContact CG1-CG 4.49Å; V159-R163 WeakPolarHBondContact O-CG 3.21Å; V159-R163 PolarHBondContact O-N 3.16Å; V159-I187 HydrophobicContact CG1-CD1 4.36Å; V159-L196 WeakPolarHBondContact CG2-O 3.42Å; V159-K198 WeakPolarHBondContact CG2-O 3.25Å; V159-Q267 HydrophobicContact CG2-CG 4.05Å |
| 160 | T | 90.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 178.3 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | P156 I157 W158 L164 M180 A183 L184 | P156-T160 WeakPolarHBondContact O-CB 3.28Å; P156-T160 PolarHBondContact O-N 3.46Å; P156-T160 PolarHBondContact O-OG1 3.24Å; I157-T160 WeakPolarHBondContact O-CB 3.37Å; I157-T160 PolarHBondContact O-N 2.96Å; W158-T160 VanDerWaalsContact C-N 3.31Å; W158-T160 PolarHBondContact O-N 3.49Å; T160-L164 HydrophobicContact CG2-CD1 3.74Å; T160-L164 HydrophobicContact CG2-CG 4.35Å; T160-L164 WeakPolarHBondContact O-CB 3.35Å; T160-L164 WeakPolarHBondContact O-CG 3.48Å; T160-L164 PolarHBondContact O-N 3.41Å; T160-M180 HydrophobicContact CG2-CB 4.32Å; T160-M180 HydrophobicContact CG2-CG 3.91Å; T160-A183 HydrophobicContact CG2-CB 3.59Å; T160-L184 HydrophobicContact CG2-CG 4.37Å; T160-L184 WeakPolarHBondContact OG1-CD2 3.29Å; T160-L184 WeakPolarHBondContact OG1-CG 3.45Å |
| 161 | K | 90.1 | Very high | 83.2 | Confident | 19 Ų | 19 | 25.7 Ų | 25.7 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.7 | -54 | 172.7 | 179.8 | -174.1 | 176 | 179.8 | 0 | 110.6 | P103 N104 I157 W158 V159 R163 L164 V165 | P103-K161 HydrophobicContact CB-CB 3.99Å; P103-K161 HydrophobicContact CG-CB 3.84Å; P103-K161 HydrophobicContact CG-CG 4.33Å; N104-K161 HydrophobicContact CB-CD 4.1Å; N104-K161 PolarHBondContact OD1-NZ 3.38Å; I157-K161 PolarHBondContact O-N 3.22Å; W158-K161 HydrophobicContact CE3-CD 3.82Å; W158-K161 HydrophobicContact CZ3-CD 3.75Å; W158-K161 WeakPolarHBondContact O-CB 3.3Å; W158-K161 PolarHBondContact O-N 3.05Å; V159-K161 VanDerWaalsContact C-N 3.35Å; V159-K161 PolarHBondContact O-N 3.04Å; K161-R163 PolarHBondContact O-N 3.17Å; K161-L164 PolarHBondContact O-N 3.04Å; K161-V165 HydrophobicContact CG-CG2 4.5Å; K161-V165 VanDerWaalsContact O-CG2 3.25Å; K161-V165 WeakPolarHBondContact O-CG2 3.19Å; K161-V165 PolarHBondContact O-N 3.44Å |
| 162 | T | 88.4 | Confident | 81.3 | Confident | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | -176.4 | -59 | 0 | 0 | 0 | 0 | 111.3 | I64 W158 V159 V165 L166 Q267 | I64-T162 HydrophobicContact CG2-CG2 4.21Å; W158-T162 PolarHBondContact O-N 2.96Å; W158-T162 PolarHBondContact O-OG1 3.43Å; V159-T162 PolarHBondContact O-N 2.99Å; T162-V165 PolarHBondContact O-N 2.98Å; T162-L166 HydrophobicContact CG2-CD1 3.63Å; T162-L166 HydrophobicContact CG2-CG 4.33Å; T162-L166 WeakPolarHBondContact O-CB 3.19Å; T162-L166 VanDerWaalsContact O-CG 3.22Å; T162-L166 WeakPolarHBondContact O-CG 3.46Å; T162-L166 PolarHBondContact O-N 3.47Å; T162-Q267 HydrophobicContact CG2-CB 3.72Å; T162-Q267 PolarHBondContact OG1-OE1 3.16Å |
| 163 | R | 88.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67 | -39 | 179.3 | -69.1 | -173.6 | -177.6 | -150.5 | 4.9 | 114 | V159 K161 V165 L166 Q167 Y177 E191 Q267 Q269 | V159-R163 HydrophobicContact CG1-CG 4.49Å; V159-R163 WeakPolarHBondContact O-CG 3.21Å; V159-R163 PolarHBondContact O-N 3.16Å; K161-R163 PolarHBondContact O-N 3.17Å; R163-V165 VanDerWaalsContact C-N 3.31Å; R163-V165 PolarHBondContact O-N 3.46Å; R163-L166 PolarHBondContact O-N 3.43Å; R163-Q167 PolarHBondContact O-N 2.93Å; R163-Y177 HydrophobicContact CB-CE2 4.07Å; R163-E191 IonicContact CZ-OE1 3.17Å; R163-E191 VanDerWaalsContact CZ-OE1 3.23Å; R163-E191 IonicContact CZ-OE2 3.73Å; R163-E191 IonicContact NH1-OE1 3.52Å; R163-E191 PolarHBondContact NH1-OE1 2.95Å; R163-E191 IonicContact NH1-OE2 3.77Å; R163-E191 IonicContact NH2-OE1 3.07Å; R163-E191 PolarHBondContact NH2-OE1 2.88Å; R163-E191 IonicContact NH2-OE2 3.17Å; R163-E191 PolarHBondContact NH2-OE2 3.4Å; R163-Q267 WeakPolarHBondContact CG-O 3.37Å; R163-Q269 HydrophobicContact CG-CB 4.3Å |
| 164 | L | 88.1 | Confident | 77.8 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 174.8 | -77.7 | 169.8 | 0 | 0 | 0 | 111.7 | Q99 P103 T160 K161 Y177 A183 | Q99-L164 PolarHBondContact OE1-O 2.89Å; Q99-L164 VanDerWaalsContact OE1-O 3.1Å; P103-L164 HydrophobicContact CG-CD1 4.03Å; T160-L164 HydrophobicContact CG2-CD1 3.74Å; T160-L164 HydrophobicContact CG2-CG 4.35Å; T160-L164 WeakPolarHBondContact O-CB 3.35Å; T160-L164 WeakPolarHBondContact O-CG 3.48Å; T160-L164 PolarHBondContact O-N 3.41Å; K161-L164 PolarHBondContact O-N 3.04Å; L164-Y177 HydrophobicContact CD2-CD2 4.35Å; L164-Y177 HydrophobicContact CD2-CG 4.28Å; L164-A183 HydrophobicContact CD1-CB 4.47Å; L164-A183 HydrophobicContact CD2-CB 4.38Å; L164-A183 HydrophobicContact CG-CB 4.29Å |
| 165 | V | 86 | Confident | 76.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.4 | -34 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | L61 I64 R65 Q99 K161 T162 R163 Q167 | L61-V165 HydrophobicContact CB-CG1 4.32Å; L61-V165 HydrophobicContact CD1-CG1 4.45Å; L61-V165 HydrophobicContact CG-CG1 3.99Å; I64-V165 HydrophobicContact CB-CG1 3.77Å; I64-V165 HydrophobicContact CD1-CB 4.38Å; I64-V165 HydrophobicContact CD1-CG1 4.11Å; I64-V165 HydrophobicContact CD1-CG2 4.17Å; I64-V165 HydrophobicContact CG2-CB 4.25Å; I64-V165 HydrophobicContact CG2-CG1 3.71Å; R65-V165 HydrophobicContact CG-CG1 4.44Å; R65-V165 PolarHBondContact NE-O 2.92Å; R65-V165 VanDerWaalsContact NE-O 3.08Å; R65-V165 PolarHBondContact NH2-O 3.33Å; Q99-V165 WeakPolarHBondContact O-CG2 3.34Å; K161-V165 HydrophobicContact CG-CG2 4.5Å; K161-V165 VanDerWaalsContact O-CG2 3.25Å; K161-V165 WeakPolarHBondContact O-CG2 3.19Å; K161-V165 PolarHBondContact O-N 3.44Å; T162-V165 PolarHBondContact O-N 2.98Å; R163-V165 VanDerWaalsContact C-N 3.31Å; R163-V165 PolarHBondContact O-N 3.46Å; V165-Q167 VanDerWaalsContact C-N 3.29Å |
| 166 | L | 83.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 4.8 | 179.8 | -65.8 | 173.7 | 0 | 0 | 0 | 113.4 | I64 R65 V68 T162 R163 Y168 D268 H270 | I64-L166 HydrophobicContact CG2-CD2 4.02Å; I64-L166 HydrophobicContact CG2-CG 4.13Å; R65-L166 HydrophobicContact CG-CD2 4.39Å; V68-L166 HydrophobicContact CB-CD1 4.37Å; V68-L166 HydrophobicContact CB-CD2 4.06Å; V68-L166 HydrophobicContact CG1-CD1 4.24Å; V68-L166 HydrophobicContact CG2-CD1 3.98Å; V68-L166 HydrophobicContact CG2-CD2 4.1Å; T162-L166 HydrophobicContact CG2-CD1 3.63Å; T162-L166 HydrophobicContact CG2-CG 4.33Å; T162-L166 WeakPolarHBondContact O-CB 3.19Å; T162-L166 VanDerWaalsContact O-CG 3.22Å; T162-L166 WeakPolarHBondContact O-CG 3.46Å; T162-L166 PolarHBondContact O-N 3.47Å; R163-L166 PolarHBondContact O-N 3.43Å; L166-Y168 WeakPolarHBondContact CD2-OH 3.2Å; L166-Y168 WeakPolarHBondContact O-CD2 3.27Å; L166-Y168 WeakPolarHBondContact O-CE2 3.45Å; L166-Y168 PolarHBondContact O-N 3.4Å; L166-D268 HydrophobicContact CD1-CB 3.85Å; L166-H270 PolarHBondContact O-CE1 2.99Å |
| 167 | Q | 77.9 | Confident | 74.6 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | trans | -77.1 | 90.7 | 176.8 | -170.6 | 179.9 | -72.4 | 0 | 0 | 110.6 | Q99 R163 V165 S169 Y177 | Q99-Q167 PolarHBondContact OE1-O 2.86Å; R163-Q167 PolarHBondContact O-N 2.93Å; V165-Q167 VanDerWaalsContact C-N 3.29Å; Q167-S169 PolarHBondContact O-N 2.91Å; Q167-Y177 VanDerWaalsContact OE1-CD2 3.29Å | ||
| 168 | Y | 72.6 | Confident | 74 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | trans | -72.1 | 118.6 | 172.6 | -49 | -74 | 0 | 0 | 0 | 109 | R65 R75 P76 L166 | R65-Y168 HydrophobicContact CG-CE1 4.14Å; R75-Y168 HydrophobicContact CG-CE2 4.2Å; P76-Y168 HydrophobicContact CG-CD1 4.45Å; L166-Y168 WeakPolarHBondContact CD2-OH 3.2Å; L166-Y168 WeakPolarHBondContact O-CD2 3.27Å; L166-Y168 WeakPolarHBondContact O-CE2 3.45Å; L166-Y168 PolarHBondContact O-N 3.4Å | ||
| 169 | S | 58.3 | Low | 73.7 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | trans | -108.2 | 112.3 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | Q167 | Q167-S169 PolarHBondContact O-N 2.91Š| ||
| 170 | A | 48.4 | Very low | 73.6 | Confident | 113 Ų | 113 | 50.5 Ų | 50.5 | 93% | 0.934 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -90.4 | -19.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 171 | D | 47 | Very low | 73.5 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -136.4 | 125.5 | -176.7 | -173.9 | 26.3 | 0 | 0 | 0 | 111.6 | T173 G174 | D171-T173 PolarHBondContact O-N 3.31Å; D171-T173 PolarHBondContact OD1-OG1 3.24Å; D171-T173 VanDerWaalsContact OD1-OG1 3.11Å; D171-T173 PolarHBondContact OD2-OG1 2.95Å; D171-G174 PolarHBondContact O-N 2.84Å |
| 172 | P | 51.2 | Low | 73.5 | Confident | 107 Ų | 107 | 57 Ų | 57 | 70% | 0.695 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -61.3 | -22.1 | -179.8 | 19.2 | -31.4 | 0 | 0 | 0 | 115.1 | ||
| 173 | T | 53.1 | Low | 73.4 | Confident | 127 Ų | 127 | 56.6 Ų | 56.6 | 78% | 0.779 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -77.9 | -18.2 | 173.7 | 17.1 | 0 | 0 | 0 | 0 | 114 | D171 | D171-T173 PolarHBondContact O-N 3.31Å; D171-T173 PolarHBondContact OD1-OG1 3.24Å; D171-T173 VanDerWaalsContact OD1-OG1 3.11Å; D171-T173 PolarHBondContact OD2-OG1 2.95Å |
| 174 | G | 57.4 | Low | 73.5 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -95.6 | 12.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | D171 Q176 | D171-G174 PolarHBondContact O-N 2.84Å; G174-Q176 PolarHBondContact O-N 2.84Å |
| 175 | K | 63.9 | Low | 73.7 | Confident | 70 Ų | 70 | 61 Ų | 61 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | trans | -66 | 107.4 | -179.8 | -71.1 | -171.6 | 178.6 | 175.9 | 0 | 111.2 | Y177 | K175-Y177 PolarHBondContact O-N 2.78Š| ||
| 176 | Q | 68.8 | Low | 73.8 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -60.1 | -33.2 | 178.6 | -74.6 | -164.3 | -19.2 | 0 | 0 | 112.9 | G174 K186 Q269 | G174-Q176 PolarHBondContact O-N 2.84Å; Q176-K186 WeakPolarHBondContact O-CD 3.13Å; Q176-K186 PolarHBondContact O-NZ 3.02Å; Q176-Q269 VanDerWaalsContact OE1-NE2 3.14Å |
| 177 | Y | 79.3 | Confident | 74.1 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 7% | 0.071 | 36% | 0.363 | C | S | . | . | trans | -128.6 | 135.9 | 178 | -49 | -67.6 | 0 | 0 | 0 | 112.4 | R163 L164 Q167 K175 D182 A183 K186 I187 Q269 | R163-Y177 HydrophobicContact CB-CE2 4.07Å; L164-Y177 HydrophobicContact CD2-CD2 4.35Å; L164-Y177 HydrophobicContact CD2-CG 4.28Å; Q167-Y177 VanDerWaalsContact OE1-CD2 3.29Å; K175-Y177 PolarHBondContact O-N 2.78Å; Y177-D182 WeakPolarHBondContact CA-OD2 3.38Å; Y177-A183 HydrophobicContact CD1-CB 3.6Å; Y177-A183 HydrophobicContact CD2-CB 4.46Å; Y177-A183 HydrophobicContact CE1-CB 4.13Å; Y177-A183 HydrophobicContact CG-CB 3.77Å; Y177-K186 HydrophobicContact CD1-CB 4.29Å; Y177-K186 HydrophobicContact CD1-CD 3.89Å; Y177-K186 HydrophobicContact CE1-CB 3.94Å; Y177-K186 HydrophobicContact CE1-CD 4.2Å; Y177-I187 HydrophobicContact CE1-CG1 4.46Å; Y177-Q269 VanDerWaalsContact CZ-OE1 3.23Å; Y177-Q269 PolarHBondContact OH-OE1 3.28Å | ||
| 178 | R | 79 | Confident | 74.7 | Confident | 209 Ų | 209 | 69.6 Ų | 69.6 | 79% | 0.789 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -86.8 | -24.3 | 175.2 | -73.9 | 178.8 | 147.7 | -170.4 | -7 | 113.2 | D182 | R178-D182 HydrophobicContact CB-CB 4.3Å; R178-D182 PolarHBondContact N-OD2 3.36Å |
| 179 | G | 84.8 | Confident | 75.5 | Confident | 28 Ų | 28 | 77 Ų | 77 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 179 | -172.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A183 | G179-A183 VanDerWaalsContact O-CB 3.31Å; G179-A183 WeakPolarHBondContact O-CB 3.49Å; G179-A183 PolarHBondContact O-N 3.16Å |
| 180 | M | 87.8 | Confident | 76.9 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 13% | 0.128 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.8 | -48.9 | -176.2 | 177.9 | 178.6 | 165.7 | 0 | 0 | 113.2 | T102 P103 W106 I157 T160 A183 L184 | T102-M180 HydrophobicContact CG2-SD 4.39Å; P103-M180 HydrophobicContact CB-CG 4.13Å; P103-M180 HydrophobicContact CB-SD 3.8Å; W106-M180 HydrophobicContact CB-CE 4.44Å; W106-M180 HydrophobicContact CB-SD 4.43Å; I157-M180 HydrophobicContact CB-CE 4.34Å; I157-M180 HydrophobicContact CD1-CE 4.23Å; I157-M180 HydrophobicContact CG1-CE 3.9Å; I157-M180 HydrophobicContact CG2-CE 3.8Å; T160-M180 HydrophobicContact CG2-CB 4.32Å; T160-M180 HydrophobicContact CG2-CG 3.91Å; M180-A183 PolarHBondContact O-N 3.04Å; M180-L184 HydrophobicContact CE-CD1 3.99Å; M180-L184 HydrophobicContact CG-CD1 4.16Å; M180-L184 WeakPolarHBondContact O-CG 3.32Å; M180-L184 PolarHBondContact O-N 2.95Å |
| 181 | V | 89.2 | Confident | 78.7 | Confident | 110 Ų | 110 | 81.6 Ų | 81.6 | 67% | 0.667 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67 | -44 | -177.8 | -179 | 0 | 0 | 0 | 0 | 111 | A183 L184 V185 | V181-A183 VanDerWaalsContact C-N 3.3Å; V181-A183 PolarHBondContact O-N 3.46Å; V181-L184 PolarHBondContact O-N 2.89Å; V181-V185 HydrophobicContact CG1-CG2 4.36Å; V181-V185 VanDerWaalsContact O-CG2 3.32Å; V181-V185 WeakPolarHBondContact O-CG2 3.39Å; V181-V185 PolarHBondContact O-N 2.87Å |
| 182 | D | 89.4 | Confident | 80.8 | Confident | 46 Ų | 46 | 78.6 Ų | 78.6 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.9 | -177.9 | 51.7 | 0 | 0 | 0 | 111.4 | Y177 R178 K186 | Y177-D182 WeakPolarHBondContact CA-OD2 3.38Å; R178-D182 HydrophobicContact CB-CB 4.3Å; R178-D182 PolarHBondContact N-OD2 3.36Å; D182-K186 VanDerWaalsContact O-CB 3.29Å; D182-K186 WeakPolarHBondContact O-CB 3.03Å; D182-K186 VanDerWaalsContact O-CG 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.24Å; D182-K186 PolarHBondContact O-N 3.37Å; D182-K186 WeakPolarHBondContact OD1-CE 3.35Å; D182-K186 IonicContact OD1-NZ 3.23Å; D182-K186 PolarHBondContact OD1-NZ 3.06Å; D182-K186 IonicContact OD2-NZ 2.63Å; D182-K186 PolarHBondContact OD2-NZ 3.1Å |
| 183 | A | 88.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T160 L164 Y177 G179 M180 V181 V185 K186 I187 | T160-A183 HydrophobicContact CG2-CB 3.59Å; L164-A183 HydrophobicContact CD1-CB 4.47Å; L164-A183 HydrophobicContact CD2-CB 4.38Å; L164-A183 HydrophobicContact CG-CB 4.29Å; Y177-A183 HydrophobicContact CD1-CB 3.6Å; Y177-A183 HydrophobicContact CD2-CB 4.46Å; Y177-A183 HydrophobicContact CE1-CB 4.13Å; Y177-A183 HydrophobicContact CG-CB 3.77Å; G179-A183 VanDerWaalsContact O-CB 3.31Å; G179-A183 WeakPolarHBondContact O-CB 3.49Å; G179-A183 PolarHBondContact O-N 3.16Å; M180-A183 PolarHBondContact O-N 3.04Å; V181-A183 VanDerWaalsContact C-N 3.3Å; V181-A183 PolarHBondContact O-N 3.46Å; A183-V185 VanDerWaalsContact C-N 3.34Å; A183-V185 PolarHBondContact O-N 2.97Å; A183-K186 PolarHBondContact O-N 3.29Å; A183-I187 HydrophobicContact CB-CD1 4.46Å; A183-I187 WeakPolarHBondContact O-CB 3.42Å; A183-I187 VanDerWaalsContact O-CD1 3.24Å; A183-I187 WeakPolarHBondContact O-CD1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.35Å; A183-I187 PolarHBondContact O-N 2.76Å |
| 184 | L | 90.6 | Very high | 84.2 | Confident | 43 Ų | 43 | 77.1 Ų | 77.1 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 176.8 | -77.8 | 167.5 | 0 | 0 | 0 | 111.9 | P156 T160 M180 V181 Y188 L196 | P156-L184 HydrophobicContact CB-CD2 3.94Å; T160-L184 HydrophobicContact CG2-CG 4.37Å; T160-L184 WeakPolarHBondContact OG1-CD2 3.29Å; T160-L184 WeakPolarHBondContact OG1-CG 3.45Å; M180-L184 HydrophobicContact CE-CD1 3.99Å; M180-L184 HydrophobicContact CG-CD1 4.16Å; M180-L184 WeakPolarHBondContact O-CG 3.32Å; M180-L184 PolarHBondContact O-N 2.95Å; V181-L184 PolarHBondContact O-N 2.89Å; L184-Y188 WeakPolarHBondContact O-CB 3.38Å; L184-Y188 PolarHBondContact O-N 3.18Å; L184-L196 HydrophobicContact CD2-CD2 4.02Å |
| 185 | V | 91.3 | Very high | 85.5 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V181 A183 Y188 R189 | V181-V185 HydrophobicContact CG1-CG2 4.36Å; V181-V185 VanDerWaalsContact O-CG2 3.32Å; V181-V185 WeakPolarHBondContact O-CG2 3.39Å; V181-V185 PolarHBondContact O-N 2.87Å; A183-V185 VanDerWaalsContact C-N 3.34Å; A183-V185 PolarHBondContact O-N 2.97Å; V185-Y188 PolarHBondContact O-N 3.44Å; V185-R189 HydrophobicContact CG1-CG 4.43Å; V185-R189 WeakPolarHBondContact O-CB 3.06Å; V185-R189 WeakPolarHBondContact O-CG 3.47Å; V185-R189 PolarHBondContact O-N 3.02Å |
| 186 | K | 89.4 | Confident | 86.7 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 178.8 | -78.3 | 172 | 174.1 | 166.3 | 0 | 112.3 | Q176 Y177 D182 A183 Y188 R189 H190 | Q176-K186 WeakPolarHBondContact O-CD 3.13Å; Q176-K186 PolarHBondContact O-NZ 3.02Å; Y177-K186 HydrophobicContact CD1-CB 4.29Å; Y177-K186 HydrophobicContact CD1-CD 3.89Å; Y177-K186 HydrophobicContact CE1-CB 3.94Å; Y177-K186 HydrophobicContact CE1-CD 4.2Å; D182-K186 VanDerWaalsContact O-CB 3.29Å; D182-K186 WeakPolarHBondContact O-CB 3.03Å; D182-K186 VanDerWaalsContact O-CG 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.24Å; D182-K186 PolarHBondContact O-N 3.37Å; D182-K186 WeakPolarHBondContact OD1-CE 3.35Å; D182-K186 IonicContact OD1-NZ 3.23Å; D182-K186 PolarHBondContact OD1-NZ 3.06Å; D182-K186 IonicContact OD2-NZ 2.63Å; D182-K186 PolarHBondContact OD2-NZ 3.1Å; A183-K186 PolarHBondContact O-N 3.29Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; K186-Y188 PolarHBondContact O-N 3.33Å; K186-R189 PolarHBondContact O-N 3.13Å; K186-H190 WeakPolarHBondContact O-CB 3.31Å; K186-H190 PolarHBondContact O-CD2 3.33Å; K186-H190 PolarHBondContact O-N 3.35Å |
| 187 | I | 89.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.3 | -63.5 | 159.1 | 0 | 0 | 0 | 109.4 | V159 Y177 A183 R189 E191 G192 L196 | V159-I187 HydrophobicContact CG1-CD1 4.36Å; Y177-I187 HydrophobicContact CE1-CG1 4.46Å; A183-I187 HydrophobicContact CB-CD1 4.46Å; A183-I187 WeakPolarHBondContact O-CB 3.42Å; A183-I187 VanDerWaalsContact O-CD1 3.24Å; A183-I187 WeakPolarHBondContact O-CD1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.35Å; A183-I187 PolarHBondContact O-N 2.76Å; I187-R189 PolarHBondContact O-N 3.32Å; I187-E191 WeakPolarHBondContact O-CA 3.46Å; I187-E191 WeakPolarHBondContact O-CB 3.42Å; I187-E191 PolarHBondContact O-N 2.91Å; I187-G192 PolarHBondContact O-N 3.15Å; I187-L196 HydrophobicContact CB-CD2 3.92Å; I187-L196 HydrophobicContact CG2-CD2 3.57Å; I187-L196 HydrophobicContact CG2-CG 4.08Å |
| 188 | Y | 90.4 | Very high | 88.2 | Confident | 131 Ų | 131 | 73.6 Ų | 73.6 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.2 | -178 | -106 | 0 | 0 | 0 | 112.5 | L184 V185 K186 G192 L193 L196 | L184-Y188 WeakPolarHBondContact O-CB 3.38Å; L184-Y188 PolarHBondContact O-N 3.18Å; V185-Y188 PolarHBondContact O-N 3.44Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; K186-Y188 PolarHBondContact O-N 3.33Å; Y188-G192 WeakPolarHBondContact O-CA 3.4Å; Y188-G192 PolarHBondContact O-N 3.41Å; Y188-L193 HydrophobicContact CD2-CD2 4.3Å; Y188-L193 HydrophobicContact CE2-CD2 3.85Å; Y188-L193 HydrophobicContact CE2-CG 4.12Å; Y188-L196 HydrophobicContact CD2-CD1 3.99Å |
| 189 | R | 89.5 | Confident | 88.6 | Confident | 203 Ų | 203 | 63.9 Ų | 63.9 | 77% | 0.766 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | 179.7 | -76.5 | -172.8 | 177.2 | -171.1 | -0.2 | 113.8 | V185 K186 I187 | V185-R189 HydrophobicContact CG1-CG 4.43Å; V185-R189 WeakPolarHBondContact O-CB 3.06Å; V185-R189 WeakPolarHBondContact O-CG 3.47Å; V185-R189 PolarHBondContact O-N 3.02Å; K186-R189 PolarHBondContact O-N 3.13Å; I187-R189 PolarHBondContact O-N 3.32Å |
| 190 | H | 87.6 | Confident | 88.8 | Confident | 159 Ų | 159 | 65 Ų | 65 | 74% | 0.736 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -93.7 | -31.9 | -174.2 | -69.1 | -66.2 | 0 | 0 | 0 | 114.1 | K186 | K186-H190 WeakPolarHBondContact O-CB 3.31Å; K186-H190 PolarHBondContact O-CD2 3.33Å; K186-H190 PolarHBondContact O-N 3.35Å |
| 191 | E | 86.1 | Confident | 88.9 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -119.1 | -5.2 | -176.4 | -64.4 | -175.1 | -148.7 | 0 | 0 | 113.7 | R163 I187 G195 K198 | R163-E191 IonicContact CZ-OE1 3.17Å; R163-E191 VanDerWaalsContact CZ-OE1 3.23Å; R163-E191 IonicContact CZ-OE2 3.73Å; R163-E191 IonicContact NH1-OE1 3.52Å; R163-E191 PolarHBondContact NH1-OE1 2.95Å; R163-E191 IonicContact NH1-OE2 3.77Å; R163-E191 IonicContact NH2-OE1 3.07Å; R163-E191 PolarHBondContact NH2-OE1 2.88Å; R163-E191 IonicContact NH2-OE2 3.17Å; R163-E191 PolarHBondContact NH2-OE2 3.4Å; I187-E191 WeakPolarHBondContact O-CA 3.46Å; I187-E191 WeakPolarHBondContact O-CB 3.42Å; I187-E191 PolarHBondContact O-N 2.91Å; E191-G195 PolarHBondContact O-N 3.04Å; E191-K198 IonicContact OE1-NZ 2.87Å; E191-K198 WeakPolarHBondContact OE2-CE 3.21Å; E191-K198 IonicContact OE2-NZ 2.73Å; E191-K198 PolarHBondContact OE2-NZ 3.41Å |
| 192 | G | 89.6 | Confident | 88.8 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | 66.4 | -161.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I187 Y188 P194 G195 | I187-G192 PolarHBondContact O-N 3.15Å; Y188-G192 WeakPolarHBondContact O-CA 3.4Å; Y188-G192 PolarHBondContact O-N 3.41Å; G192-P194 VanDerWaalsContact C-CD 3.49Å; G192-G195 PolarHBondContact O-N 3.46Å |
| 193 | L | 88.4 | Confident | 88.7 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 56% | 0.555 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.1 | -41.2 | 174.9 | -68.5 | 172.6 | 0 | 0 | 0 | 113.5 | Y188 G195 L196 Y197 | Y188-L193 HydrophobicContact CD2-CD2 4.3Å; Y188-L193 HydrophobicContact CE2-CD2 3.85Å; Y188-L193 HydrophobicContact CE2-CG 4.12Å; L193-G195 PolarHBondContact O-N 2.87Å; L193-L196 PolarHBondContact O-N 2.79Å; L193-L196 VanDerWaalsContact O-N 3.11Å; L193-Y197 WeakPolarHBondContact O-CD2 3.32Å; L193-Y197 PolarHBondContact O-N 3.46Å |
| 194 | P | 87.1 | Confident | 88.8 | Confident | 97 Ų | 97 | 63 Ų | 63 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.3 | -33.5 | 178.9 | -26 | 36.1 | 0 | 0 | 0 | 113.3 | G192 L196 Y197 K198 | G192-P194 VanDerWaalsContact C-CD 3.49Å; P194-L196 PolarHBondContact O-N 3.08Å; P194-Y197 PolarHBondContact O-N 3.26Å; P194-K198 PolarHBondContact O-N 2.9Å |
| 195 | G | 86.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E191 G192 L193 Y197 | E191-G195 PolarHBondContact O-N 3.04Å; G192-G195 PolarHBondContact O-N 3.46Å; L193-G195 PolarHBondContact O-N 2.87Å; G195-Y197 VanDerWaalsContact C-N 3.33Å |
| 196 | L | 89.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.7 | -21.8 | 179.8 | -63.5 | 175.4 | 0 | 0 | 0 | 113.3 | N155 P156 V159 L184 I187 Y188 L193 P194 | N155-L196 PolarHBondContact ND2-O 3Å; P156-L196 HydrophobicContact CB-CB 4.19Å; P156-L196 HydrophobicContact CB-CD2 4.23Å; P156-L196 HydrophobicContact CG-CB 4.2Å; V159-L196 WeakPolarHBondContact CG2-O 3.42Å; L184-L196 HydrophobicContact CD2-CD2 4.02Å; I187-L196 HydrophobicContact CB-CD2 3.92Å; I187-L196 HydrophobicContact CG2-CD2 3.57Å; I187-L196 HydrophobicContact CG2-CG 4.08Å; Y188-L196 HydrophobicContact CD2-CD1 3.99Å; L193-L196 PolarHBondContact O-N 2.79Å; L193-L196 VanDerWaalsContact O-N 3.11Å; P194-L196 PolarHBondContact O-N 3.08Å |
| 197 | Y | 90.9 | Very high | 87.7 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 35% | 0.345 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 11.2 | 179 | -73.9 | -87.5 | 0 | 0 | 0 | 113.6 | T152 N155 L193 P194 G195 G199 Y200 | T152-Y197 HydrophobicContact CG2-CE1 4.2Å; T152-Y197 VanDerWaalsContact O-CE1 3.31Å; T152-Y197 WeakPolarHBondContact O-CE1 3.33Å; T152-Y197 PolarHBondContact O-OH 3.2Å; N155-Y197 WeakPolarHBondContact ND2-CA 3.39Å; L193-Y197 WeakPolarHBondContact O-CD2 3.32Å; L193-Y197 PolarHBondContact O-N 3.46Å; P194-Y197 PolarHBondContact O-N 3.26Å; G195-Y197 VanDerWaalsContact C-N 3.33Å; Y197-G199 PolarHBondContact O-N 3.31Å; Y197-Y200 HydrophobicContact CD1-CD2 4.09Å; Y197-Y200 HydrophobicContact CD1-CG 4.39Å; Y197-Y200 WeakPolarHBondContact O-CB 3.36Å; Y197-Y200 PolarHBondContact O-N 2.76Å; Y197-Y200 VanDerWaalsContact O-N 3.08Å |
| 198 | K | 87.9 | Confident | 87.5 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 27% | 0.274 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 132.7 | 171.2 | -77.4 | -179 | 173.7 | 174.6 | 0 | 111.2 | N155 V159 E191 P194 Y200 L266 Q267 | N155-K198 PolarHBondContact ND2-O 2.99Å; V159-K198 WeakPolarHBondContact CG2-O 3.25Å; E191-K198 IonicContact OE1-NZ 2.87Å; E191-K198 WeakPolarHBondContact OE2-CE 3.21Å; E191-K198 IonicContact OE2-NZ 2.73Å; E191-K198 PolarHBondContact OE2-NZ 3.41Å; P194-K198 PolarHBondContact O-N 2.9Å; K198-Y200 VanDerWaalsContact C-N 3.29Å; K198-Y200 PolarHBondContact O-N 3.06Å; K198-L266 WeakPolarHBondContact CD-O 3.43Å; K198-Q267 WeakPolarHBondContact O-CG 3.31Å; K198-Q267 PolarHBondContact O-NE2 2.92Å |
| 199 | G | 86.6 | Confident | 87.2 | Confident | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 12.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y197 G203 | Y197-G199 PolarHBondContact O-N 3.31Å; G199-G203 PolarHBondContact O-N 3.18Å |
| 200 | Y | 90.1 | Very high | 86.9 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 176.1 | -177.9 | -102.1 | 0 | 0 | 0 | 112.3 | L151 T152 N155 Y197 K198 G203 L204 | L151-Y200 HydrophobicContact CB-CE2 4.26Å; L151-Y200 HydrophobicContact CD2-CD2 3.89Å; L151-Y200 HydrophobicContact CD2-CE2 3.77Å; L151-Y200 HydrophobicContact CG-CD2 3.88Å; L151-Y200 HydrophobicContact CG-CE2 3.71Å; T152-Y200 PolarHBondContact OG1-OH 3.37Å; T152-Y200 VanDerWaalsContact OG1-OH 3.06Å; N155-Y200 HydrophobicContact CB-CD2 4.34Å; Y197-Y200 HydrophobicContact CD1-CD2 4.09Å; Y197-Y200 HydrophobicContact CD1-CG 4.39Å; Y197-Y200 WeakPolarHBondContact O-CB 3.36Å; Y197-Y200 PolarHBondContact O-N 2.76Å; Y197-Y200 VanDerWaalsContact O-N 3.08Å; K198-Y200 VanDerWaalsContact C-N 3.29Å; K198-Y200 PolarHBondContact O-N 3.06Å; Y200-G203 CarbonylContact O-C 3.48Å; Y200-G203 VanDerWaalsContact O-CA 3.28Å; Y200-G203 WeakPolarHBondContact O-CA 3.29Å; Y200-G203 PolarHBondContact O-N 3.26Å; Y200-L204 HydrophobicContact CD1-CD1 4.2Å; Y200-L204 HydrophobicContact CD1-CG 4.39Å; Y200-L204 HydrophobicContact CE1-CD1 3.82Å; Y200-L204 HydrophobicContact CE1-CD2 4.13Å; Y200-L204 HydrophobicContact CE1-CG 4.07Å; Y200-L204 PolarHBondContact O-N 3.28Å |
| 201 | V | 90.1 | Very high | 86.7 | Confident | 79 Ų | 79 | 50.2 Ų | 50.2 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -52.8 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | G203 L204 F205 V276 | V201-G203 PolarHBondContact O-N 3.17Å; V201-L204 WeakPolarHBondContact O-CB 3.35Å; V201-L204 PolarHBondContact O-N 3.16Å; V201-L204 VanDerWaalsContact O-N 3.15Å; V201-F205 HydrophobicContact CG1-CE2 4.21Å; V201-F205 VanDerWaalsContact O-CD2 3.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.4Å; V201-V276 HydrophobicContact CB-CG2 4.39Å; V201-V276 HydrophobicContact CG1-CG2 4.37Å |
| 202 | P | 87.2 | Confident | 86.8 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -34.1 | 169.7 | -25.4 | 33.1 | 0 | 0 | 0 | 113.6 | L204 F205 G206 Y259 V262 R263 L266 V276 | P202-L204 VanDerWaalsContact C-N 3.3Å; P202-L204 PolarHBondContact O-N 2.9Å; P202-F205 PolarHBondContact O-N 3.47Å; P202-G206 PolarHBondContact O-N 3.26Å; P202-Y259 WeakPolarHBondContact O-CD2 3.49Å; P202-V262 HydrophobicContact CG-CG1 4.22Å; P202-R263 HydrophobicContact CB-CB 3.83Å; P202-R263 HydrophobicContact CB-CG 4.3Å; P202-L266 HydrophobicContact CG-CD1 3.67Å; P202-V276 HydrophobicContact CG-CG1 4.34Å; P202-V276 HydrophobicContact CG-CG2 3.88Å |
| 203 | G | 86.3 | Confident | 86.8 | Confident | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L151 G199 Y200 V201 F205 G206 | L151-G203 VanDerWaalsContact CD2-C 3.45Å; G199-G203 PolarHBondContact O-N 3.18Å; Y200-G203 CarbonylContact O-C 3.48Å; Y200-G203 VanDerWaalsContact O-CA 3.28Å; Y200-G203 WeakPolarHBondContact O-CA 3.29Å; Y200-G203 PolarHBondContact O-N 3.26Å; V201-G203 PolarHBondContact O-N 3.17Å; G203-F205 VanDerWaalsContact C-N 3.34Å; G203-G206 WeakPolarHBondContact O-CA 3.37Å; G203-G206 PolarHBondContact O-N 3.1Å |
| 204 | L | 89.7 | Confident | 86.7 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 174.7 | -67.9 | 171.1 | 0 | 0 | 0 | 111.3 | I148 L151 Y200 V201 P202 G206 T207 | I148-L204 HydrophobicContact CB-CD2 4.46Å; I148-L204 HydrophobicContact CG1-CD2 3.83Å; I148-L204 HydrophobicContact CG2-CD2 4.29Å; L151-L204 HydrophobicContact CD2-CD2 3.78Å; L151-L204 HydrophobicContact CD2-CG 4.04Å; Y200-L204 HydrophobicContact CD1-CD1 4.2Å; Y200-L204 HydrophobicContact CD1-CG 4.39Å; Y200-L204 HydrophobicContact CE1-CD1 3.82Å; Y200-L204 HydrophobicContact CE1-CD2 4.13Å; Y200-L204 HydrophobicContact CE1-CG 4.07Å; Y200-L204 PolarHBondContact O-N 3.28Å; V201-L204 WeakPolarHBondContact O-CB 3.35Å; V201-L204 PolarHBondContact O-N 3.16Å; V201-L204 VanDerWaalsContact O-N 3.15Å; P202-L204 VanDerWaalsContact C-N 3.3Å; P202-L204 PolarHBondContact O-N 2.9Å; L204-G206 PolarHBondContact O-N 3.28Å; L204-G206 VanDerWaalsContact O-N 3.16Å; L204-T207 PolarHBondContact O-N 3.07Å; L204-T207 VanDerWaalsContact O-N 3.1Å; L204-T207 PolarHBondContact O-OG1 2.87Å |
| 205 | F | 87.4 | Confident | 86.8 | Confident | 129 Ų | 129 | 51.3 Ų | 51.3 | 57% | 0.566 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.9 | -22.8 | 172.4 | -65.4 | -83.4 | 0 | 0 | 0 | 112.3 | V201 P202 G203 T207 S208 Y259 | V201-F205 HydrophobicContact CG1-CE2 4.21Å; V201-F205 VanDerWaalsContact O-CD2 3.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.4Å; P202-F205 PolarHBondContact O-N 3.47Å; G203-F205 VanDerWaalsContact C-N 3.34Å; F205-T207 VanDerWaalsContact C-N 3.26Å; F205-T207 PolarHBondContact O-N 3.1Å; F205-S208 WeakPolarHBondContact O-CB 3.28Å; F205-S208 PolarHBondContact O-N 2.91Å; F205-S208 VanDerWaalsContact O-N 3.15Å; F205-S208 PolarHBondContact O-OG 2.98Å; F205-Y259 HydrophobicContact CB-CG 4.37Å |
| 206 | G | 82.1 | Confident | 87 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P202 G203 L204 S208 H209 Y259 | P202-G206 PolarHBondContact O-N 3.26Å; G203-G206 WeakPolarHBondContact O-CA 3.37Å; G203-G206 PolarHBondContact O-N 3.1Å; L204-G206 PolarHBondContact O-N 3.28Å; L204-G206 VanDerWaalsContact O-N 3.16Å; G206-S208 PolarHBondContact O-N 3.4Å; G206-H209 WeakPolarHBondContact O-CB 3.38Å; G206-H209 PolarHBondContact O-N 3.29Å; G206-H209 VanDerWaalsContact O-N 3.13Å; G206-Y259 VanDerWaalsContact CA-OH 3.29Å; G206-Y259 WeakPolarHBondContact CA-OH 3.36Å |
| 207 | T | 80.3 | Confident | 86.9 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.1 | 175.1 | 63.1 | 0 | 0 | 0 | 0 | 112 | L204 F205 H209 | L204-T207 PolarHBondContact O-N 3.07Å; L204-T207 VanDerWaalsContact O-N 3.1Å; L204-T207 PolarHBondContact O-OG1 2.87Å; F205-T207 VanDerWaalsContact C-N 3.26Å; F205-T207 PolarHBondContact O-N 3.1Å; T207-H209 PolarHBondContact O-N 2.91Å |
| 208 | S | 84.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.1 | -16.1 | 175.1 | 76 | 0 | 0 | 0 | 0 | 113.7 | F205 G206 G210 A211 L212 | F205-S208 WeakPolarHBondContact O-CB 3.28Å; F205-S208 PolarHBondContact O-N 2.91Å; F205-S208 VanDerWaalsContact O-N 3.15Å; F205-S208 PolarHBondContact O-OG 2.98Å; G206-S208 PolarHBondContact O-N 3.4Å; S208-G210 VanDerWaalsContact C-N 3.33Å; S208-G210 PolarHBondContact O-N 3.47Å; S208-A211 WeakPolarHBondContact O-CB 3.28Å; S208-A211 PolarHBondContact O-N 3Å; S208-A211 VanDerWaalsContact O-N 3.12Å; S208-L212 PolarHBondContact O-N 2.75Å |
| 209 | H | 85.1 | Confident | 86.7 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | -177 | -179.4 | 79.7 | 0 | 0 | 0 | 112.1 | G206 T207 L212 Q213 T256 | G206-H209 WeakPolarHBondContact O-CB 3.38Å; G206-H209 PolarHBondContact O-N 3.29Å; G206-H209 VanDerWaalsContact O-N 3.13Å; T207-H209 PolarHBondContact O-N 2.91Å; H209-L212 PolarHBondContact O-N 3.43Å; H209-Q213 PolarHBondContact O-N 3.45Å; H209-T256 PolarHBondContact ND1-OG1 2.99Å |
| 210 | G | 82.2 | Confident | 86.7 | Confident | 41 Ų | 41 | 57 Ų | 57 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S208 Q213 F214 | S208-G210 VanDerWaalsContact C-N 3.33Å; S208-G210 PolarHBondContact O-N 3.47Å; G210-Q213 PolarHBondContact O-N 3.02Å; G210-F214 WeakPolarHBondContact O-CB 3.12Å; G210-F214 PolarHBondContact O-N 2.73Å |
| 211 | A | 84.8 | Confident | 86.5 | Confident | 53 Ų | 53 | 57 Ų | 57 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S208 F214 M215 | S208-A211 WeakPolarHBondContact O-CB 3.28Å; S208-A211 PolarHBondContact O-N 3Å; S208-A211 VanDerWaalsContact O-N 3.12Å; A211-F214 PolarHBondContact O-N 3.47Å; A211-M215 VanDerWaalsContact O-CB 3.28Å; A211-M215 WeakPolarHBondContact O-CB 3.42Å; A211-M215 PolarHBondContact O-N 3.25Å |
| 212 | L | 88.2 | Confident | 86.2 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 176.4 | -73.2 | 170.3 | 0 | 0 | 0 | 112.3 | S208 H209 M215 A216 A252 T255 T256 | S208-L212 PolarHBondContact O-N 2.75Å; H209-L212 PolarHBondContact O-N 3.43Å; L212-M215 HydrophobicContact CD2-CE 3.83Å; L212-A216 VanDerWaalsContact O-CB 3.28Å; L212-A216 WeakPolarHBondContact O-CB 2.98Å; L212-A216 PolarHBondContact O-N 3.09Å; L212-A252 HydrophobicContact CB-CB 4.42Å; L212-T255 HydrophobicContact CD1-CG2 4.16Å; L212-T256 HydrophobicContact CD1-CG2 3.31Å |
| 213 | Q | 89.5 | Confident | 86.1 | Confident | 64 Ų | 64 | 62 Ų | 62 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 173.9 | -176.5 | -174.2 | -11.4 | 0 | 0 | 111 | H209 G210 A216 Y217 A252 | H209-Q213 PolarHBondContact O-N 3.45Å; G210-Q213 PolarHBondContact O-N 3.02Å; Q213-A216 PolarHBondContact O-N 2.91Å; Q213-Y217 VanDerWaalsContact O-CB 3.31Å; Q213-Y217 WeakPolarHBondContact O-CB 3.4Å; Q213-Y217 PolarHBondContact O-N 2.99Å; Q213-A252 HydrophobicContact CB-CB 3.76Å; Q213-A252 HydrophobicContact CG-CB 4.48Å |
| 214 | F | 86 | Confident | 85.9 | Confident | 119 Ų | 119 | 64.3 Ų | 64.3 | 52% | 0.522 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | -179.4 | -175 | -100.2 | 0 | 0 | 0 | 111.9 | G210 A211 A216 Y217 E218 | G210-F214 WeakPolarHBondContact O-CB 3.12Å; G210-F214 PolarHBondContact O-N 2.73Å; A211-F214 PolarHBondContact O-N 3.47Å; F214-A216 PolarHBondContact O-N 3.23Å; F214-Y217 WeakPolarHBondContact O-CB 3.21Å; F214-Y217 PolarHBondContact O-N 3.44Å; F214-Y217 VanDerWaalsContact O-N 3.14Å; F214-E218 HydrophobicContact CD1-CG 4.28Å; F214-E218 HydrophobicContact CE1-CG 3.87Å; F214-E218 WeakPolarHBondContact CE1-OE1 3.45Å; F214-E218 HydrophobicContact CE2-CG 4.39Å; F214-E218 VanDerWaalsContact CZ-CD 3.46Å; F214-E218 HydrophobicContact CZ-CG 3.94Å; F214-E218 WeakPolarHBondContact CZ-OE1 3.17Å; F214-E218 PolarHBondContact O-N 3.08Å |
| 215 | M | 89.3 | Confident | 85.6 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.2 | -49.6 | 174.9 | 179.2 | -165.3 | 74.8 | 0 | 0 | 111.5 | A211 L212 Y217 E218 E219 F251 | A211-M215 VanDerWaalsContact O-CB 3.28Å; A211-M215 WeakPolarHBondContact O-CB 3.42Å; A211-M215 PolarHBondContact O-N 3.25Å; L212-M215 HydrophobicContact CD2-CE 3.83Å; M215-Y217 VanDerWaalsContact C-N 3.3Å; M215-Y217 PolarHBondContact O-N 3.49Å; M215-E218 PolarHBondContact O-N 3.01Å; M215-E219 WeakPolarHBondContact O-CB 3.28Å; M215-E219 WeakPolarHBondContact O-CG 3.46Å; M215-E219 PolarHBondContact O-N 2.87Å; M215-F251 HydrophobicContact CE-CE1 4.24Å |
| 216 | A | 89.5 | Confident | 85.3 | Confident | 10 Ų | 10 | 62 Ų | 62 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L212 Q213 F214 L220 F251 | L212-A216 VanDerWaalsContact O-CB 3.28Å; L212-A216 WeakPolarHBondContact O-CB 2.98Å; L212-A216 PolarHBondContact O-N 3.09Å; Q213-A216 PolarHBondContact O-N 2.91Å; F214-A216 PolarHBondContact O-N 3.23Å; A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.35Å; A216-L220 WeakPolarHBondContact O-CD1 3.22Å; A216-L220 WeakPolarHBondContact O-CG 3.35Å; A216-L220 PolarHBondContact O-N 2.94Å; A216-F251 HydrophobicContact CB-CD1 3.53Å; A216-F251 HydrophobicContact CB-CE1 4.07Å; A216-F251 HydrophobicContact CB-CG 4.31Å |
| 217 | Y | 87.2 | Confident | 85.2 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 176.2 | 177.7 | -94 | 0 | 0 | 0 | 112 | Q213 F214 M215 K221 Y241 M244 A245 | Q213-Y217 VanDerWaalsContact O-CB 3.31Å; Q213-Y217 WeakPolarHBondContact O-CB 3.4Å; Q213-Y217 PolarHBondContact O-N 2.99Å; F214-Y217 WeakPolarHBondContact O-CB 3.21Å; F214-Y217 PolarHBondContact O-N 3.44Å; F214-Y217 VanDerWaalsContact O-N 3.14Å; M215-Y217 VanDerWaalsContact C-N 3.3Å; M215-Y217 PolarHBondContact O-N 3.49Å; Y217-K221 HydrophobicContact CE1-CD 4.34Å; Y217-K221 VanDerWaalsContact O-CB 3.28Å; Y217-K221 WeakPolarHBondContact O-CB 3.31Å; Y217-K221 PolarHBondContact O-N 2.96Å; Y217-Y241 HydrophobicContact CE2-CD2 4.46Å; Y217-Y241 HydrophobicContact CE2-CE2 4.32Å; Y217-Y241 AromaticContact CZ-CE2 3.89Å; Y217-Y241 WeakPolarHBondContact OH-CD2 3.39Å; Y217-Y241 WeakPolarHBondContact OH-CE2 3.45Å; Y217-M244 HydrophobicContact CD2-CB 4.12Å; Y217-M244 HydrophobicContact CE2-CB 3.9Å; Y217-A245 HydrophobicContact CE2-CB 4.41Å |
| 218 | E | 86.9 | Confident | 85.2 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 178.5 | -72.1 | -164.5 | 151.5 | 0 | 0 | 112.7 | F214 M215 K221 R222 | F214-E218 HydrophobicContact CD1-CG 4.28Å; F214-E218 HydrophobicContact CE1-CG 3.87Å; F214-E218 WeakPolarHBondContact CE1-OE1 3.45Å; F214-E218 HydrophobicContact CE2-CG 4.39Å; F214-E218 VanDerWaalsContact CZ-CD 3.46Å; F214-E218 HydrophobicContact CZ-CG 3.94Å; F214-E218 WeakPolarHBondContact CZ-OE1 3.17Å; F214-E218 PolarHBondContact O-N 3.08Å; M215-E218 PolarHBondContact O-N 3.01Å; E218-K221 PolarHBondContact O-N 3.02Å; E218-R222 VanDerWaalsContact O-CB 3.24Å; E218-R222 WeakPolarHBondContact O-CB 3.48Å; E218-R222 PolarHBondContact O-N 3.37Å |
| 219 | E | 87.8 | Confident | 84.9 | Confident | 82 Ų | 82 | 79.2 Ų | 79.2 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 174.6 | -81.1 | -76.3 | 152.2 | 0 | 0 | 111 | M215 K221 R222 D223 | M215-E219 WeakPolarHBondContact O-CB 3.28Å; M215-E219 WeakPolarHBondContact O-CG 3.46Å; M215-E219 PolarHBondContact O-N 2.87Å; E219-K221 PolarHBondContact O-N 3.2Å; E219-R222 PolarHBondContact O-N 3.11Å; E219-R222 IonicContact OE1-CZ 3.06Å; E219-R222 IonicContact OE1-NH1 2.73Å; E219-R222 IonicContact OE1-NH2 3.75Å; E219-R222 PolarHBondContact OE1-NH2 2.88Å; E219-R222 IonicContact OE2-CZ 2.78Å; E219-R222 IonicContact OE2-NH2 3.33Å; E219-R222 PolarHBondContact OE2-NH2 3.35Å; E219-D223 PolarHBondContact O-N 3.49Å |
| 220 | L | 87.4 | Confident | 84.5 | Confident | 59 Ų | 59 | 80 Ų | 80 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.3 | -75.5 | 171.9 | 0 | 0 | 0 | 112.2 | A216 D223 Y224 M244 L247 | A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.35Å; A216-L220 WeakPolarHBondContact O-CD1 3.22Å; A216-L220 WeakPolarHBondContact O-CG 3.35Å; A216-L220 PolarHBondContact O-N 2.94Å; L220-D223 PolarHBondContact O-N 3.49Å; L220-Y224 VanDerWaalsContact O-CB 3.26Å; L220-Y224 WeakPolarHBondContact O-CB 3.45Å; L220-Y224 PolarHBondContact O-N 3.28Å; L220-M244 HydrophobicContact CB-SD 3.75Å; L220-L247 HydrophobicContact CD1-CB 3.79Å |
| 221 | K | 84.6 | Confident | 83.9 | Confident | 51 Ų | 51 | 82.8 Ų | 82.8 | 22% | 0.222 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.5 | 179 | 179.6 | 176.5 | -162 | 0 | 111.3 | Y217 E218 E219 Y224 N225 S232 L236 | Y217-K221 HydrophobicContact CE1-CD 4.34Å; Y217-K221 VanDerWaalsContact O-CB 3.28Å; Y217-K221 WeakPolarHBondContact O-CB 3.31Å; Y217-K221 PolarHBondContact O-N 2.96Å; E218-K221 PolarHBondContact O-N 3.02Å; E219-K221 PolarHBondContact O-N 3.2Å; K221-Y224 PolarHBondContact O-N 3.34Å; K221-N225 WeakPolarHBondContact O-CB 3.31Å; K221-N225 VanDerWaalsContact O-CG 3.26Å; K221-N225 PolarHBondContact O-N 3.47Å; K221-S232 WeakPolarHBondContact CE-O 3.32Å; K221-L236 HydrophobicContact CD-CD1 4.27Å; K221-L236 HydrophobicContact CG-CD1 4.09Å |
| 222 | R | 84.8 | Confident | 82.7 | Confident | 104 Ų | 104 | 84.1 Ų | 84.1 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 179.6 | -176.1 | -178.3 | 73.3 | -173.4 | -4.2 | 111.2 | E218 E219 N225 K226 | E218-R222 VanDerWaalsContact O-CB 3.24Å; E218-R222 WeakPolarHBondContact O-CB 3.48Å; E218-R222 PolarHBondContact O-N 3.37Å; E219-R222 PolarHBondContact O-N 3.11Å; E219-R222 IonicContact OE1-CZ 3.06Å; E219-R222 IonicContact OE1-NH1 2.73Å; E219-R222 IonicContact OE1-NH2 3.75Å; E219-R222 PolarHBondContact OE1-NH2 2.88Å; E219-R222 IonicContact OE2-CZ 2.78Å; E219-R222 IonicContact OE2-NH2 3.33Å; E219-R222 PolarHBondContact OE2-NH2 3.35Å; R222-N225 PolarHBondContact O-N 3.32Å; R222-K226 WeakPolarHBondContact O-CG 3.5Å; R222-K226 PolarHBondContact O-N 3.27Å |
| 223 | D | 84.9 | Confident | 81.4 | Confident | 84 Ų | 84 | 89.2 Ų | 89.2 | 45% | 0.449 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | -178.6 | -72.3 | -8.1 | 0 | 0 | 0 | 111.8 | E219 L220 K226 Y227 | E219-D223 PolarHBondContact O-N 3.49Å; L220-D223 PolarHBondContact O-N 3.49Å; D223-K226 PolarHBondContact O-N 3.36Å; D223-K226 IonicContact OD1-NZ 2.76Å; D223-Y227 PolarHBondContact O-N 3.18Å |
| 224 | Y | 82.7 | Confident | 80.2 | Confident | 56 Ų | 56 | 87.4 Ų | 87.4 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 173 | -172.1 | -102.8 | 0 | 0 | 0 | 112.8 | L220 K221 Y227 K228 L236 E240 M244 | L220-Y224 VanDerWaalsContact O-CB 3.26Å; L220-Y224 WeakPolarHBondContact O-CB 3.45Å; L220-Y224 PolarHBondContact O-N 3.28Å; K221-Y224 PolarHBondContact O-N 3.34Å; Y224-Y227 WeakPolarHBondContact O-CB 3.42Å; Y224-Y227 PolarHBondContact O-N 2.66Å; Y224-K228 HydrophobicContact CD1-CD 4.49Å; Y224-K228 HydrophobicContact CE1-CD 3.7Å; Y224-K228 HydrophobicContact CE1-CG 4.42Å; Y224-K228 PolarHBondContact O-N 2.73Å; Y224-K228 WeakPolarHBondContact OH-CE 3.48Å; Y224-K228 PolarHBondContact OH-NZ 2.96Å; Y224-L236 HydrophobicContact CD1-CD2 3.65Å; Y224-L236 HydrophobicContact CE1-CD2 3.83Å; Y224-E240 HydrophobicContact CE1-CB 4.45Å; Y224-E240 HydrophobicContact CE1-CG 4.13Å; Y224-E240 VanDerWaalsContact OH-CD 3.22Å; Y224-E240 PolarHBondContact OH-OE1 3.42Å; Y224-M244 HydrophobicContact CD2-CE 4.41Å |
| 225 | N | 82 | Confident | 79.3 | Confident | 5 Ų | 5 | 91.8 Ų | 91.8 | 3% | 0.027 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.2 | -35.2 | 179.4 | -73.4 | -5.9 | 0 | 0 | 0 | 112.1 | K221 R222 K228 K229 V230 S232 | K221-N225 WeakPolarHBondContact O-CB 3.31Å; K221-N225 VanDerWaalsContact O-CG 3.26Å; K221-N225 PolarHBondContact O-N 3.47Å; R222-N225 PolarHBondContact O-N 3.32Å; N225-K228 PolarHBondContact O-N 3.08Å; N225-K229 PolarHBondContact O-N 2.92Å; N225-V230 PolarHBondContact O-N 3.27Å; N225-V230 VanDerWaalsContact O-N 3.09Å; N225-S232 PolarHBondContact ND2-O 3.23Å |
| 226 | K | 81.7 | Confident | 78.3 | Confident | 127 Ų | 127 | 88.8 Ų | 88.8 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 170.1 | -76.4 | 174.1 | -177.6 | 170.7 | 0 | 111.8 | R222 D223 K228 K229 | R222-K226 WeakPolarHBondContact O-CG 3.5Å; R222-K226 PolarHBondContact O-N 3.27Å; D223-K226 PolarHBondContact O-N 3.36Å; D223-K226 IonicContact OD1-NZ 2.76Å; K226-K228 PolarHBondContact O-N 2.97Å; K226-K229 PolarHBondContact O-N 3.46Å; K226-K229 VanDerWaalsContact O-N 3.17Å |
| 227 | Y | 81.1 | Confident | 77.8 | Confident | 195 Ų | 195 | 93.1 Ų | 93.1 | 77% | 0.765 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 178.2 | 179.6 | -99.8 | 0 | 0 | 0 | 112.2 | D223 Y224 K229 | D223-Y227 PolarHBondContact O-N 3.18Å; Y224-Y227 WeakPolarHBondContact O-CB 3.42Å; Y224-Y227 PolarHBondContact O-N 2.66Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 2.75Å |
| 228 | K | 79.3 | Confident | 77.2 | Confident | 97 Ų | 97 | 94.3 Ų | 94.3 | 42% | 0.422 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.1 | 176.5 | -75.1 | -169.1 | 158.3 | -179.3 | 0 | 114.8 | Y224 N225 K226 V230 E240 | Y224-K228 HydrophobicContact CD1-CD 4.49Å; Y224-K228 HydrophobicContact CE1-CD 3.7Å; Y224-K228 HydrophobicContact CE1-CG 4.42Å; Y224-K228 PolarHBondContact O-N 2.73Å; Y224-K228 WeakPolarHBondContact OH-CE 3.48Å; Y224-K228 PolarHBondContact OH-NZ 2.96Å; N225-K228 PolarHBondContact O-N 3.08Å; K226-K228 PolarHBondContact O-N 2.97Å; K228-V230 HydrophobicContact CB-CG2 3.54Å; K228-V230 VanDerWaalsContact O-CG2 3.29Å; K228-V230 WeakPolarHBondContact O-CG2 3.45Å; K228-V230 PolarHBondContact O-N 2.65Å; K228-E240 IonicContact NZ-OE1 2.82Å; K228-E240 PolarHBondContact NZ-OE1 3.23Å |
| 229 | K | 78.4 | Confident | 76.8 | Confident | 198 Ų | 198 | 95.2 Ų | 95.2 | 86% | 0.861 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34.3 | -174.7 | -56.8 | -176.8 | -179.9 | -179.6 | 0 | 113.8 | N225 K226 Y227 | N225-K229 PolarHBondContact O-N 2.92Å; K226-K229 PolarHBondContact O-N 3.46Å; K226-K229 VanDerWaalsContact O-N 3.17Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 2.75Å |
| 230 | V | 76.8 | Confident | 76.5 | Confident | 59 Ų | 59 | 93 Ų | 93 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | trans | -105.1 | 144.2 | 179.4 | -154.4 | 0 | 0 | 0 | 0 | 108.3 | N225 K228 S232 A234 | N225-V230 PolarHBondContact O-N 3.27Å; N225-V230 VanDerWaalsContact O-N 3.09Å; K228-V230 HydrophobicContact CB-CG2 3.54Å; K228-V230 VanDerWaalsContact O-CG2 3.29Å; K228-V230 WeakPolarHBondContact O-CG2 3.45Å; K228-V230 PolarHBondContact O-N 2.65Å; V230-S232 PolarHBondContact O-N 2.97Å; V230-A234 HydrophobicContact CB-CB 4.18Å; V230-A234 HydrophobicContact CG1-CB 3.47Å; V230-A234 VanDerWaalsContact CG1-CB 3.47Å | ||
| 231 | P | 69.8 | Low | 76.1 | Confident | 99 Ų | 99 | 96.4 Ų | 96.4 | 64% | 0.643 | 47% | 0.474 | S | S | * | . | trans | -50.2 | 141.8 | 173.4 | 14.2 | -29.9 | 0 | 0 | 0 | 112.3 | D233 A234 | P231-D233 PolarHBondContact O-N 3.45Å; P231-A234 WeakPolarHBondContact O-CB 3.26Å; P231-A234 PolarHBondContact O-N 2.91Å | ||
| 232 | S | 59.4 | Low | 75.9 | Confident | 80 Ų | 80 | 99 Ų | 99 | 56% | 0.559 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -20.1 | -175 | -67.5 | 0 | 0 | 0 | 0 | 114.9 | K221 N225 V230 | K221-S232 WeakPolarHBondContact CE-O 3.32Å; N225-S232 PolarHBondContact ND2-O 3.23Å; V230-S232 PolarHBondContact O-N 2.97Å |
| 233 | D | 61.3 | Low | 75.9 | Confident | 148 Ų | 148 | 97.2 Ų | 97.2 | 79% | 0.791 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.4 | 179.6 | -112.7 | -11.1 | 0 | 0 | 0 | 114.8 | P231 K235 | P231-D233 PolarHBondContact O-N 3.45Å; D233-K235 PolarHBondContact O-N 3.32Å |
| 234 | A | 64 | Low | 75.9 | Confident | 27 Ų | 27 | 94.1 Ų | 94.1 | 22% | 0.223 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -60 | 129.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V230 P231 L236 | V230-A234 HydrophobicContact CB-CB 4.18Å; V230-A234 HydrophobicContact CG1-CB 3.47Å; V230-A234 VanDerWaalsContact CG1-CB 3.47Å; P231-A234 WeakPolarHBondContact O-CB 3.26Å; P231-A234 PolarHBondContact O-N 2.91Å; A234-L236 PolarHBondContact O-N 3.28Å |
| 235 | K | 66.8 | Low | 76 | Confident | 211 Ų | 211 | 92.8 Ų | 92.8 | 92% | 0.917 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 116.9 | 174.8 | -68.8 | -176.6 | -179.9 | 178.3 | 0 | 108.4 | D233 | D233-K235 PolarHBondContact O-N 3.32Š|
| 236 | L | 68.4 | Low | 76.1 | Confident | 28 Ų | 28 | 94.8 Ų | 94.8 | 15% | 0.147 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 146.7 | 174.6 | -67.6 | 170.9 | 0 | 0 | 0 | 110 | K221 Y224 A234 E240 M244 | K221-L236 HydrophobicContact CD-CD1 4.27Å; K221-L236 HydrophobicContact CG-CD1 4.09Å; Y224-L236 HydrophobicContact CD1-CD2 3.65Å; Y224-L236 HydrophobicContact CE1-CD2 3.83Å; A234-L236 PolarHBondContact O-N 3.28Å; L236-E240 HydrophobicContact CB-CB 4.01Å; L236-E240 HydrophobicContact CD2-CB 4.15Å; L236-M244 HydrophobicContact CD1-CG 4.46Å |
| 237 | N | 78.4 | Confident | 76.5 | Confident | 101 Ų | 101 | 93 Ų | 93 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 154.7 | 168 | -168.3 | 3.5 | 0 | 0 | 0 | 109.7 | L239 E240 Y241 | N237-L239 PolarHBondContact O-N 3.27Å; N237-E240 HydrophobicContact CB-CB 4.48Å; N237-E240 HydrophobicContact CB-CG 4.12Å; N237-E240 PolarHBondContact N-OE2 3.03Å; N237-E240 WeakPolarHBondContact O-CA 3.39Å; N237-E240 WeakPolarHBondContact O-CB 2.91Å; N237-E240 PolarHBondContact O-N 3.15Å; N237-Y241 PolarHBondContact O-N 3.23Å |
| 238 | A | 74.8 | Confident | 76.8 | Confident | 65 Ų | 65 | 83.8 Ų | 83.8 | 54% | 0.537 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55.1 | -40.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y241 I242 | A238-Y241 PolarHBondContact O-N 3.49Å; A238-I242 WeakPolarHBondContact O-CD1 3.12Å; A238-I242 VanDerWaalsContact O-CG1 3.22Å; A238-I242 WeakPolarHBondContact O-CG1 3.13Å; A238-I242 PolarHBondContact O-N 3.45Å |
| 239 | L | 77.9 | Confident | 77.2 | Confident | 124 Ų | 124 | 82.3 Ų | 82.3 | 65% | 0.649 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 175.4 | -77.5 | 172.8 | 0 | 0 | 0 | 112.8 | N237 I242 T243 | N237-L239 PolarHBondContact O-N 3.27Å; L239-I242 PolarHBondContact O-N 3.28Å; L239-T243 WeakPolarHBondContact O-CG2 3.32Å; L239-T243 PolarHBondContact O-N 2.98Å; L239-T243 PolarHBondContact O-OG1 2.58Å |
| 240 | E | 81.6 | Confident | 77.7 | Confident | 35 Ų | 35 | 77.2 Ų | 77.2 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | 178.1 | -63.8 | 165.9 | 173.4 | 0 | 0 | 110.8 | Y224 K228 L236 N237 I242 T243 M244 | Y224-E240 HydrophobicContact CE1-CB 4.45Å; Y224-E240 HydrophobicContact CE1-CG 4.13Å; Y224-E240 VanDerWaalsContact OH-CD 3.22Å; Y224-E240 PolarHBondContact OH-OE1 3.42Å; K228-E240 IonicContact NZ-OE1 2.82Å; K228-E240 PolarHBondContact NZ-OE1 3.23Å; L236-E240 HydrophobicContact CB-CB 4.01Å; L236-E240 HydrophobicContact CD2-CB 4.15Å; N237-E240 HydrophobicContact CB-CB 4.48Å; N237-E240 HydrophobicContact CB-CG 4.12Å; N237-E240 PolarHBondContact N-OE2 3.03Å; N237-E240 WeakPolarHBondContact O-CA 3.39Å; N237-E240 WeakPolarHBondContact O-CB 2.91Å; N237-E240 PolarHBondContact O-N 3.15Å; E240-I242 PolarHBondContact O-N 3.36Å; E240-T243 WeakPolarHBondContact CA-OG1 3.4Å; E240-T243 PolarHBondContact O-N 2.75Å; E240-T243 PolarHBondContact O-OG1 3.5Å; E240-M244 WeakPolarHBondContact O-CB 3.19Å; E240-M244 WeakPolarHBondContact O-CG 3.28Å; E240-M244 PolarHBondContact O-N 3.36Å |
| 241 | Y | 79.4 | Confident | 78.4 | Confident | 131 Ų | 131 | 79 Ų | 79 | 51% | 0.514 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 173.7 | -178.2 | -90.6 | 0 | 0 | 0 | 111.4 | Y217 N237 A238 A245 | Y217-Y241 HydrophobicContact CE2-CD2 4.46Å; Y217-Y241 HydrophobicContact CE2-CE2 4.32Å; Y217-Y241 AromaticContact CZ-CE2 3.89Å; Y217-Y241 WeakPolarHBondContact OH-CD2 3.39Å; Y217-Y241 WeakPolarHBondContact OH-CE2 3.45Å; N237-Y241 PolarHBondContact O-N 3.23Å; A238-Y241 PolarHBondContact O-N 3.49Å; Y241-A245 WeakPolarHBondContact O-CB 3.48Å; Y241-A245 PolarHBondContact O-N 3.1Å |
| 242 | I | 81.3 | Confident | 79.3 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | -179.7 | -69.5 | 165.3 | 0 | 0 | 0 | 111.2 | A238 L239 E240 A245 A246 | A238-I242 WeakPolarHBondContact O-CD1 3.12Å; A238-I242 VanDerWaalsContact O-CG1 3.22Å; A238-I242 WeakPolarHBondContact O-CG1 3.13Å; A238-I242 PolarHBondContact O-N 3.45Å; L239-I242 PolarHBondContact O-N 3.28Å; E240-I242 PolarHBondContact O-N 3.36Å; I242-A245 PolarHBondContact O-N 2.94Å; I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.46Å; I242-A246 PolarHBondContact O-N 3.11Å |
| 243 | T | 83.6 | Confident | 80.6 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | -179.5 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | L239 E240 A246 L247 | L239-T243 WeakPolarHBondContact O-CG2 3.32Å; L239-T243 PolarHBondContact O-N 2.98Å; L239-T243 PolarHBondContact O-OG1 2.58Å; E240-T243 WeakPolarHBondContact CA-OG1 3.4Å; E240-T243 PolarHBondContact O-N 2.75Å; E240-T243 PolarHBondContact O-OG1 3.5Å; T243-A246 PolarHBondContact O-N 3.3Å; T243-L247 WeakPolarHBondContact O-CB 3.44Å; T243-L247 VanDerWaalsContact O-CG 3.32Å; T243-L247 WeakPolarHBondContact O-CG 3.3Å; T243-L247 PolarHBondContact O-N 3.08Å |
| 244 | M | 85 | Confident | 82 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 175.9 | -63 | -53.9 | 120.9 | 0 | 0 | 112 | Y217 L220 Y224 L236 E240 L247 S248 | Y217-M244 HydrophobicContact CD2-CB 4.12Å; Y217-M244 HydrophobicContact CE2-CB 3.9Å; L220-M244 HydrophobicContact CB-SD 3.75Å; Y224-M244 HydrophobicContact CD2-CE 4.41Å; L236-M244 HydrophobicContact CD1-CG 4.46Å; E240-M244 WeakPolarHBondContact O-CB 3.19Å; E240-M244 WeakPolarHBondContact O-CG 3.28Å; E240-M244 PolarHBondContact O-N 3.36Å; M244-L247 HydrophobicContact CE-CD1 4.46Å; M244-S248 VanDerWaalsContact O-CB 3.31Å; M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 3.27Å; M244-S248 PolarHBondContact O-OG 3.33Å |
| 245 | A | 84.1 | Confident | 83.2 | Confident | 27 Ų | 27 | 67.5 Ų | 67.5 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.9 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y217 Y241 I242 S248 K249 | Y217-A245 HydrophobicContact CE2-CB 4.41Å; Y241-A245 WeakPolarHBondContact O-CB 3.48Å; Y241-A245 PolarHBondContact O-N 3.1Å; I242-A245 PolarHBondContact O-N 2.94Å; A245-S248 WeakPolarHBondContact CA-OG 3.26Å; A245-S248 PolarHBondContact O-OG 3.07Å; A245-K249 VanDerWaalsContact O-CB 3.22Å; A245-K249 WeakPolarHBondContact O-CB 3.14Å; A245-K249 PolarHBondContact O-N 2.82Å; A245-K249 VanDerWaalsContact O-N 3.1Å |
| 246 | A | 85.6 | Confident | 84.3 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.6 | -47.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I242 T243 K249 I250 | I242-A246 VanDerWaalsContact O-CB 3.27Å; I242-A246 WeakPolarHBondContact O-CB 3.46Å; I242-A246 PolarHBondContact O-N 3.11Å; T243-A246 PolarHBondContact O-N 3.3Å; A246-K249 PolarHBondContact O-N 2.62Å; A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.39Å; A246-I250 PolarHBondContact O-N 3.12Å |
| 247 | L | 88.9 | Confident | 85.3 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 179 | -71.9 | 173.2 | 0 | 0 | 0 | 111.8 | L220 T243 M244 K249 I250 F251 | L220-L247 HydrophobicContact CD1-CB 3.79Å; T243-L247 WeakPolarHBondContact O-CB 3.44Å; T243-L247 VanDerWaalsContact O-CG 3.32Å; T243-L247 WeakPolarHBondContact O-CG 3.3Å; T243-L247 PolarHBondContact O-N 3.08Å; M244-L247 HydrophobicContact CE-CD1 4.46Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 3.09Å; L247-I250 PolarHBondContact O-N 3.05Å; L247-F251 WeakPolarHBondContact O-CB 3.29Å; L247-F251 PolarHBondContact O-N 3.27Å |
| 248 | S | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | M244 A245 F251 A252 | M244-S248 VanDerWaalsContact O-CB 3.31Å; M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 3.27Å; M244-S248 PolarHBondContact O-OG 3.33Å; A245-S248 WeakPolarHBondContact CA-OG 3.26Å; A245-S248 PolarHBondContact O-OG 3.07Å; S248-F251 PolarHBondContact O-N 2.81Å; S248-A252 WeakPolarHBondContact O-CB 3.04Å; S248-A252 PolarHBondContact O-N 3.41Å |
| 249 | K | 87.3 | Confident | 86.6 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.8 | -172.9 | 169.7 | -175.2 | 172.4 | 0 | 112.4 | A245 A246 L247 A252 V253 V303 | A245-K249 VanDerWaalsContact O-CB 3.22Å; A245-K249 WeakPolarHBondContact O-CB 3.14Å; A245-K249 PolarHBondContact O-N 2.82Å; A245-K249 VanDerWaalsContact O-N 3.1Å; A246-K249 PolarHBondContact O-N 2.62Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 3.09Å; K249-A252 PolarHBondContact O-N 3.3Å; K249-V253 HydrophobicContact CG-CG2 4.47Å; K249-V253 WeakPolarHBondContact O-CB 3.22Å; K249-V253 WeakPolarHBondContact O-CG2 2.76Å; K249-V253 PolarHBondContact O-N 3.3Å; K249-V303 HydrophobicContact CD-CG1 3.97Å |
| 250 | I | 89 | Confident | 87.2 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 46% | 0.462 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.8 | -69.7 | 165.1 | 0 | 0 | 0 | 110.1 | A246 L247 V253 A254 L300 | A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.39Å; A246-I250 PolarHBondContact O-N 3.12Å; L247-I250 PolarHBondContact O-N 3.05Å; I250-V253 PolarHBondContact O-N 2.84Å; I250-A254 WeakPolarHBondContact O-CB 3.42Å; I250-A254 PolarHBondContact O-N 3.36Å; I250-L300 HydrophobicContact CG1-CD2 4.32Å |
| 251 | F | 90.8 | Very high | 87.5 | Confident | 96 Ų | 96 | 46.8 Ų | 46.8 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -50.3 | 176.1 | 174.9 | -97.6 | 0 | 0 | 0 | 111.8 | M215 A216 L247 S248 V253 A254 T255 | M215-F251 HydrophobicContact CE-CE1 4.24Å; A216-F251 HydrophobicContact CB-CD1 3.53Å; A216-F251 HydrophobicContact CB-CE1 4.07Å; A216-F251 HydrophobicContact CB-CG 4.31Å; L247-F251 WeakPolarHBondContact O-CB 3.29Å; L247-F251 PolarHBondContact O-N 3.27Å; S248-F251 PolarHBondContact O-N 2.81Å; F251-V253 VanDerWaalsContact C-N 3.32Å; F251-V253 PolarHBondContact O-N 3.08Å; F251-A254 PolarHBondContact O-N 3.46Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 PolarHBondContact O-OG1 3.41Å; F251-T255 VanDerWaalsContact O-OG1 3.12Å |
| 252 | A | 89.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L212 Q213 S248 K249 T256 | L212-A252 HydrophobicContact CB-CB 4.42Å; Q213-A252 HydrophobicContact CB-CB 3.76Å; Q213-A252 HydrophobicContact CG-CB 4.48Å; S248-A252 WeakPolarHBondContact O-CB 3.04Å; S248-A252 PolarHBondContact O-N 3.41Å; K249-A252 PolarHBondContact O-N 3.3Å; A252-T256 VanDerWaalsContact O-CB 3.23Å; A252-T256 WeakPolarHBondContact O-CB 3.49Å; A252-T256 WeakPolarHBondContact O-CG2 3.39Å; A252-T256 PolarHBondContact O-N 2.89Å; A252-T256 VanDerWaalsContact O-N 3.09Å; A252-T256 PolarHBondContact O-OG1 3.39Å |
| 253 | V | 87.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 174.7 | 169 | 0 | 0 | 0 | 0 | 110.4 | K249 I250 F251 T256 Y257 I296 N299 L300 | K249-V253 HydrophobicContact CG-CG2 4.47Å; K249-V253 WeakPolarHBondContact O-CB 3.22Å; K249-V253 WeakPolarHBondContact O-CG2 2.76Å; K249-V253 PolarHBondContact O-N 3.3Å; I250-V253 PolarHBondContact O-N 2.84Å; F251-V253 VanDerWaalsContact C-N 3.32Å; F251-V253 PolarHBondContact O-N 3.08Å; V253-T256 CarbonylContact O-C 3.53Å; V253-T256 PolarHBondContact O-N 3.2Å; V253-Y257 HydrophobicContact CG1-CD2 4.05Å; V253-Y257 WeakPolarHBondContact O-CA 3.37Å; V253-Y257 WeakPolarHBondContact O-CB 3.16Å; V253-Y257 PolarHBondContact O-N 3.33Å; V253-I296 HydrophobicContact CG1-CD1 4.48Å; V253-I296 HydrophobicContact CG1-CG1 4.44Å; V253-N299 WeakPolarHBondContact CG1-ND2 3.31Å; V253-L300 HydrophobicContact CG1-CD2 4.44Å |
| 254 | A | 89.1 | Confident | 88.7 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -51 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | I250 F251 T256 Y257 | I250-A254 WeakPolarHBondContact O-CB 3.42Å; I250-A254 PolarHBondContact O-N 3.36Å; F251-A254 PolarHBondContact O-N 3.46Å; A254-T256 PolarHBondContact O-N 2.82Å; A254-Y257 PolarHBondContact O-N 2.93Å |
| 255 | T | 90.3 | Very high | 88.9 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 44% | 0.442 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62 | -35.2 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | L212 F251 | L212-T255 HydrophobicContact CD1-CG2 4.16Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 PolarHBondContact O-OG1 3.41Å; F251-T255 VanDerWaalsContact O-OG1 3.12Å |
| 256 | T | 89.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -103 | 2.5 | -172.9 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | H209 L212 A252 V253 A254 Y259 | H209-T256 PolarHBondContact ND1-OG1 2.99Å; L212-T256 HydrophobicContact CD1-CG2 3.31Å; A252-T256 VanDerWaalsContact O-CB 3.23Å; A252-T256 WeakPolarHBondContact O-CB 3.49Å; A252-T256 WeakPolarHBondContact O-CG2 3.39Å; A252-T256 PolarHBondContact O-N 2.89Å; A252-T256 VanDerWaalsContact O-N 3.09Å; A252-T256 PolarHBondContact O-OG1 3.39Å; V253-T256 CarbonylContact O-C 3.53Å; V253-T256 PolarHBondContact O-N 3.2Å; A254-T256 PolarHBondContact O-N 2.82Å; T256-Y259 VanDerWaalsContact CB-CE1 3.46Å; T256-Y259 HydrophobicContact CG2-CE1 4.44Å; T256-Y259 WeakPolarHBondContact O-CD1 3.43Å; T256-Y259 WeakPolarHBondContact O-CE1 3.5Å |
| 257 | Y | 89 | Confident | 89.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.9 | -154.3 | -92.8 | 0 | 0 | 0 | 113.3 | V253 A254 Y259 Q260 V261 F292 Y293 K294 G295 I296 N299 | V253-Y257 HydrophobicContact CG1-CD2 4.05Å; V253-Y257 WeakPolarHBondContact O-CA 3.37Å; V253-Y257 WeakPolarHBondContact O-CB 3.16Å; V253-Y257 PolarHBondContact O-N 3.33Å; A254-Y257 PolarHBondContact O-N 2.93Å; Y257-Y259 VanDerWaalsContact C-N 3.31Å; Y257-Y259 PolarHBondContact O-N 2.97Å; Y257-Q260 WeakPolarHBondContact O-CB 3.41Å; Y257-Q260 PolarHBondContact O-N 3.46Å; Y257-V261 HydrophobicContact CD1-CG2 3.83Å; Y257-V261 HydrophobicContact CE1-CG2 3.42Å; Y257-V261 VanDerWaalsContact CE1-CG2 3.42Å; Y257-V261 PolarHBondContact O-N 2.92Å; Y257-V261 VanDerWaalsContact O-N 3.17Å; Y257-F292 VanDerWaalsContact CD1-O 3.26Å; Y257-F292 WeakPolarHBondContact CD1-O 3.23Å; Y257-Y293 HydrophobicContact CD1-CD1 4.25Å; Y257-K294 WeakPolarHBondContact CE1-O 3.37Å; Y257-K294 PolarHBondContact OH-O 2.85Å; Y257-G295 VanDerWaalsContact OH-CA 3.27Å; Y257-G295 WeakPolarHBondContact OH-CA 3.46Å; Y257-G295 PolarHBondContact OH-O 3.48Å; Y257-G295 VanDerWaalsContact OH-O 3.09Å; Y257-I296 HydrophobicContact CD1-CB 4.23Å; Y257-I296 HydrophobicContact CD2-CB 4.12Å; Y257-I296 HydrophobicContact CD2-CD1 4.17Å; Y257-I296 HydrophobicContact CD2-CG1 3.88Å; Y257-I296 HydrophobicContact CE1-CB 4.02Å; Y257-I296 HydrophobicContact CE2-CB 3.91Å; Y257-I296 HydrophobicContact CE2-CG1 4.05Å; Y257-I296 HydrophobicContact CG-CB 4.29Å; Y257-I296 HydrophobicContact CG-CD1 4.1Å; Y257-I296 HydrophobicContact CG-CG1 4.22Å; Y257-I296 VanDerWaalsContact CZ-N 3.32Å; Y257-I296 PolarHBondContact OH-N 3.07Å; Y257-I296 VanDerWaalsContact OH-N 3.12Å; Y257-N299 HydrophobicContact CE2-CB 4.18Å |
| 258 | P | 90.9 | Very high | 88.9 | Confident | 33 Ų | 33 | 27.8 Ų | 27.8 | 21% | 0.214 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.2 | -41.3 | -179.7 | -28.9 | 37.1 | 0 | 0 | 0 | 113.8 | Q260 V261 V262 F292 Y293 | P258-Q260 VanDerWaalsContact C-N 3.31Å; P258-Q260 PolarHBondContact O-N 3.38Å; P258-V261 PolarHBondContact O-N 3.29Å; P258-V262 WeakPolarHBondContact O-CG2 3.44Å; P258-V262 PolarHBondContact O-N 3.5Å; P258-V262 VanDerWaalsContact O-N 3.08Å; P258-F292 HydrophobicContact CB-CB 4.08Å; P258-F292 HydrophobicContact CB-CD1 4.2Å; P258-F292 HydrophobicContact CB-CG 4.47Å; P258-F292 HydrophobicContact CG-CB 4.34Å; P258-Y293 HydrophobicContact CG-CE1 4.4Å; P258-Y293 HydrophobicContact CG-CE2 4.38Å |
| 259 | Y | 89.9 | Confident | 88.2 | Confident | 52 Ų | 52 | 29.3 Ų | 29.3 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.4 | -34.9 | 178.1 | 95.8 | -102.8 | 0 | 0 | 0 | 111.3 | P202 F205 G206 T256 Y257 V261 V262 R263 | P202-Y259 WeakPolarHBondContact O-CD2 3.49Å; F205-Y259 HydrophobicContact CB-CG 4.37Å; G206-Y259 VanDerWaalsContact CA-OH 3.29Å; G206-Y259 WeakPolarHBondContact CA-OH 3.36Å; T256-Y259 VanDerWaalsContact CB-CE1 3.46Å; T256-Y259 HydrophobicContact CG2-CE1 4.44Å; T256-Y259 WeakPolarHBondContact O-CD1 3.43Å; T256-Y259 WeakPolarHBondContact O-CE1 3.5Å; Y257-Y259 VanDerWaalsContact C-N 3.31Å; Y257-Y259 PolarHBondContact O-N 2.97Å; Y259-V261 VanDerWaalsContact C-N 3.34Å; Y259-V262 PolarHBondContact O-N 3.44Å; Y259-R263 VanDerWaalsContact O-CB 3.29Å; Y259-R263 WeakPolarHBondContact O-CB 3.37Å; Y259-R263 PolarHBondContact O-N 3.15Å |
| 260 | Q | 90 | Very high | 87.4 | Confident | 37 Ų | 37 | 29.8 Ų | 29.8 | 17% | 0.173 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.8 | -66.6 | 179.6 | 47.2 | 0 | 0 | 111 | Y257 P258 R263 A264 | Y257-Q260 WeakPolarHBondContact O-CB 3.41Å; Y257-Q260 PolarHBondContact O-N 3.46Å; P258-Q260 VanDerWaalsContact C-N 3.31Å; P258-Q260 PolarHBondContact O-N 3.38Å; Q260-R263 PolarHBondContact O-N 2.87Å; Q260-A264 WeakPolarHBondContact O-CB 3.34Å; Q260-A264 PolarHBondContact O-N 3.22Å |
| 261 | V | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -48.9 | 176 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | A67 Y257 P258 Y259 R263 A264 R265 F292 | A67-V261 HydrophobicContact CB-CG2 4.26Å; A67-V261 WeakPolarHBondContact O-CG1 3.06Å; Y257-V261 HydrophobicContact CD1-CG2 3.83Å; Y257-V261 HydrophobicContact CE1-CG2 3.42Å; Y257-V261 VanDerWaalsContact CE1-CG2 3.42Å; Y257-V261 PolarHBondContact O-N 2.92Å; Y257-V261 VanDerWaalsContact O-N 3.17Å; P258-V261 PolarHBondContact O-N 3.29Å; Y259-V261 VanDerWaalsContact C-N 3.34Å; V261-R263 VanDerWaalsContact C-N 3.29Å; V261-R263 PolarHBondContact O-N 3.27Å; V261-A264 PolarHBondContact O-N 2.73Å; V261-A264 VanDerWaalsContact O-N 3.16Å; V261-R265 HydrophobicContact CG1-CG 4.42Å; V261-R265 WeakPolarHBondContact O-CG 3.4Å; V261-R265 PolarHBondContact O-N 3.15Å; V261-F292 WeakPolarHBondContact CG2-O 3.4Å |
| 262 | V | 90.8 | Very high | 85.6 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | P202 P258 Y259 R265 L266 V276 V279 I280 F292 | P202-V262 HydrophobicContact CG-CG1 4.22Å; P258-V262 WeakPolarHBondContact O-CG2 3.44Å; P258-V262 PolarHBondContact O-N 3.5Å; P258-V262 VanDerWaalsContact O-N 3.08Å; Y259-V262 PolarHBondContact O-N 3.44Å; V262-R265 PolarHBondContact O-N 2.95Å; V262-L266 HydrophobicContact CG1-CD1 4.04Å; V262-L266 WeakPolarHBondContact O-CB 3.38Å; V262-L266 WeakPolarHBondContact O-CG 3.44Å; V262-L266 PolarHBondContact O-N 2.69Å; V262-V276 HydrophobicContact CG1-CG1 3.91Å; V262-V279 HydrophobicContact CB-CG1 4.42Å; V262-V279 HydrophobicContact CG1-CB 4.27Å; V262-V279 HydrophobicContact CG1-CG1 4.05Å; V262-V279 HydrophobicContact CG2-CG1 4.39Å; V262-I280 HydrophobicContact CG1-CG1 4.43Å; V262-I280 HydrophobicContact CG2-CG1 3.94Å; V262-F292 HydrophobicContact CG2-CD1 4.13Å; V262-F292 HydrophobicContact CG2-CE1 3.9Å |
| 263 | R | 90.4 | Very high | 85.1 | Confident | 45 Ų | 45 | 34.7 Ų | 34.7 | 17% | 0.17 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 174.7 | -172.1 | 179 | -178.7 | -133 | -0.4 | 111.6 | N155 W158 P202 Y259 Q260 V261 L266 Q267 | N155-R263 PolarHBondContact OD1-NH2 3.44Å; W158-R263 VanDerWaalsContact CB-NH2 3.34Å; P202-R263 HydrophobicContact CB-CB 3.83Å; P202-R263 HydrophobicContact CB-CG 4.3Å; Y259-R263 VanDerWaalsContact O-CB 3.29Å; Y259-R263 WeakPolarHBondContact O-CB 3.37Å; Y259-R263 PolarHBondContact O-N 3.15Å; Q260-R263 PolarHBondContact O-N 2.87Å; V261-R263 VanDerWaalsContact C-N 3.29Å; V261-R263 PolarHBondContact O-N 3.27Å; R263-L266 PolarHBondContact O-N 3.11Å; R263-Q267 VanDerWaalsContact O-CG 3.3Å; R263-Q267 WeakPolarHBondContact O-CG 3.38Å; R263-Q267 PolarHBondContact O-N 3.21Å; R263-Q267 VanDerWaalsContact O-N 3.09Å |
| 264 | A | 88.5 | Confident | 84.6 | Confident | 12 Ų | 12 | 38 Ų | 38 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A67 V68 Q260 V261 Q267 D268 | A67-A264 HydrophobicContact CB-CB 4.25Å; V68-A264 HydrophobicContact CG2-CB 3.72Å; Q260-A264 WeakPolarHBondContact O-CB 3.34Å; Q260-A264 PolarHBondContact O-N 3.22Å; V261-A264 PolarHBondContact O-N 2.73Å; V261-A264 VanDerWaalsContact O-N 3.16Å; A264-Q267 PolarHBondContact O-N 3.09Å; A264-D268 PolarHBondContact O-N 2.95Å; A264-D268 VanDerWaalsContact O-N 3.15Å |
| 265 | R | 88.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 175.6 | -69.5 | -179.9 | -171.8 | -145.1 | -11.1 | 112.9 | A67 V68 D70 V261 V262 Q267 D268 Y273 V279 T283 E287 | A67-R265 PolarHBondContact O-NE 3.36Å; V68-R265 HydrophobicContact CG1-CG 4.26Å; D70-R265 IonicContact OD1-CZ 3.11Å; D70-R265 IonicContact OD1-NE 2.96Å; D70-R265 PolarHBondContact OD1-NE 3.46Å; D70-R265 IonicContact OD1-NH1 2.73Å; D70-R265 PolarHBondContact OD1-NH1 3.09Å; D70-R265 VanDerWaalsContact OD1-NH1 3.16Å; D70-R265 IonicContact OD1-NH2 3.99Å; D70-R265 PolarHBondContact OD1-NH2 2.99Å; D70-R265 VanDerWaalsContact OD1-NH2 3.12Å; V261-R265 HydrophobicContact CG1-CG 4.42Å; V261-R265 WeakPolarHBondContact O-CG 3.4Å; V261-R265 PolarHBondContact O-N 3.15Å; V262-R265 PolarHBondContact O-N 2.95Å; R265-Q267 VanDerWaalsContact C-N 3.3Å; R265-Q267 PolarHBondContact O-N 3Å; R265-D268 WeakPolarHBondContact O-CB 3.5Å; R265-D268 PolarHBondContact O-N 3.36Å; R265-Y273 HydrophobicContact CB-CE2 4.18Å; R265-Y273 WeakPolarHBondContact O-CE2 3.14Å; R265-V279 HydrophobicContact CB-CG1 3.78Å; R265-T283 PolarHBondContact NH1-OG1 3.22Å; R265-E287 IonicContact CZ-OE1 3.23Å; R265-E287 VanDerWaalsContact CZ-OE1 3.3Å; R265-E287 IonicContact CZ-OE2 2.81Å; R265-E287 IonicContact NH1-OE1 3.79Å; R265-E287 PolarHBondContact NH1-OE1 3.33Å; R265-E287 IonicContact NH1-OE2 2.66Å; R265-E287 VanDerWaalsContact NH2-CD 3.29Å; R265-E287 IonicContact NH2-OE1 3.69Å; R265-E287 PolarHBondContact NH2-OE1 3.48Å; R265-E287 IonicContact NH2-OE2 2.73Å; R265-E287 PolarHBondContact NH2-OE2 3.07Å |
| 266 | L | 87.4 | Confident | 84.4 | Confident | 19 Ų | 19 | 36.3 Ų | 36.3 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -29.2 | 174.4 | -82.5 | 165.4 | 0 | 0 | 0 | 113.8 | K198 P202 V262 R263 D268 V276 V279 | K198-L266 WeakPolarHBondContact CD-O 3.43Å; P202-L266 HydrophobicContact CG-CD1 3.67Å; V262-L266 HydrophobicContact CG1-CD1 4.04Å; V262-L266 WeakPolarHBondContact O-CB 3.38Å; V262-L266 WeakPolarHBondContact O-CG 3.44Å; V262-L266 PolarHBondContact O-N 2.69Å; R263-L266 PolarHBondContact O-N 3.11Å; L266-D268 VanDerWaalsContact C-N 3.32Å; L266-V276 HydrophobicContact CD1-CB 4.39Å; L266-V276 HydrophobicContact CD1-CG2 3.77Å; L266-V279 HydrophobicContact CD1-CG2 4.35Å; L266-V279 HydrophobicContact CD2-CG2 3.54Å; L266-V279 HydrophobicContact CG-CG2 3.59Å |
| 267 | Q | 87.4 | Confident | 84.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.7 | -10.3 | 178.9 | -69.8 | -176 | -10.4 | 0 | 0 | 113.1 | V159 T162 R163 K198 R263 A264 R265 | V159-Q267 HydrophobicContact CG2-CG 4.05Å; T162-Q267 HydrophobicContact CG2-CB 3.72Å; T162-Q267 PolarHBondContact OG1-OE1 3.16Å; R163-Q267 WeakPolarHBondContact CG-O 3.37Å; K198-Q267 WeakPolarHBondContact O-CG 3.31Å; K198-Q267 PolarHBondContact O-NE2 2.92Å; R263-Q267 VanDerWaalsContact O-CG 3.3Å; R263-Q267 WeakPolarHBondContact O-CG 3.38Å; R263-Q267 PolarHBondContact O-N 3.21Å; R263-Q267 VanDerWaalsContact O-N 3.09Å; A264-Q267 PolarHBondContact O-N 3.09Å; R265-Q267 VanDerWaalsContact C-N 3.3Å; R265-Q267 PolarHBondContact O-N 3Å |
| 268 | D | 84 | Confident | 84.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -64.3 | 143.5 | 173.8 | -179.1 | 24.2 | 0 | 0 | 0 | 111.4 | V68 R75 L166 A264 R265 L266 H270 | V68-D268 HydrophobicContact CG1-CB 3.59Å; V68-D268 WeakPolarHBondContact CG1-OD2 3.22Å; R75-D268 IonicContact CZ-OD2 3.05Å; R75-D268 VanDerWaalsContact CZ-OD2 3.23Å; R75-D268 IonicContact NH1-OD2 3.25Å; R75-D268 PolarHBondContact NH1-OD2 3.47Å; R75-D268 IonicContact NH2-OD2 2.93Å; R75-D268 PolarHBondContact NH2-OD2 2.85Å; L166-D268 HydrophobicContact CD1-CB 3.85Å; A264-D268 PolarHBondContact O-N 2.95Å; A264-D268 VanDerWaalsContact O-N 3.15Å; R265-D268 WeakPolarHBondContact O-CB 3.5Å; R265-D268 PolarHBondContact O-N 3.36Å; L266-D268 VanDerWaalsContact C-N 3.32Å; D268-H270 IonicContact OD1-CG 3.3Å; D268-H270 PolarHBondContact OD1-N 3.41Å; D268-H270 VanDerWaalsContact OD1-N 3.07Å; D268-H270 IonicContact OD1-ND1 3.83Å; D268-H270 PolarHBondContact OD1-ND1 3.08Å; D268-H270 VanDerWaalsContact OD1-ND1 3.09Å | ||
| 269 | Q | 73.1 | Confident | 84.3 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -96.2 | -20.8 | -177.8 | 64.4 | 177.6 | 7.4 | 0 | 0 | 113.1 | R163 Q176 Y177 | R163-Q269 HydrophobicContact CG-CB 4.3Å; Q176-Q269 VanDerWaalsContact OE1-NE2 3.14Å; Y177-Q269 VanDerWaalsContact CZ-OE1 3.23Å; Y177-Q269 PolarHBondContact OH-OE1 3.28Å |
| 270 | H | 70.9 | Confident | 84.3 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 36% | 0.361 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -85.6 | -18.2 | -175 | -54.3 | 95.2 | 0 | 0 | 0 | 112.6 | L166 D268 | L166-H270 PolarHBondContact O-CE1 2.99Å; D268-H270 IonicContact OD1-CG 3.3Å; D268-H270 PolarHBondContact OD1-N 3.41Å; D268-H270 VanDerWaalsContact OD1-N 3.07Å; D268-H270 IonicContact OD1-ND1 3.83Å; D268-H270 PolarHBondContact OD1-ND1 3.08Å; D268-H270 VanDerWaalsContact OD1-ND1 3.09Å |
| 271 | S | 69.9 | Low | 84.3 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -115.6 | 121.9 | 177.5 | -70.1 | 0 | 0 | 0 | 0 | 110.6 | R75 Y273 | R75-S271 PolarHBondContact NH2-OG 3.43Å; S271-Y273 PolarHBondContact O-N 3.26Å |
| 272 | R | 72.1 | Confident | 84.3 | Confident | 230 Ų | 230 | 49.2 Ų | 49.2 | 87% | 0.868 | 27% | 0.27 | S | S | * | . | trans | -86.5 | 105.5 | 169.6 | -71.9 | -170.7 | 179.2 | -167.4 | 0.8 | 109.5 | ||||
| 273 | Y | 79.1 | Confident | 84.1 | Confident | 39 Ų | 39 | 49 Ų | 49 | 15% | 0.153 | 27% | 0.268 | C | S | . | . | trans | -97.1 | 141.7 | 169.1 | -63.1 | -80 | 0 | 0 | 0 | 110.8 | D70 R265 S271 G275 V279 | D70-Y273 PolarHBondContact OD2-OH 3.36Å; R265-Y273 HydrophobicContact CB-CE2 4.18Å; R265-Y273 WeakPolarHBondContact O-CE2 3.14Å; S271-Y273 PolarHBondContact O-N 3.26Å; Y273-G275 PolarHBondContact O-N 3.36Å; Y273-V279 HydrophobicContact CD1-CB 4.21Å; Y273-V279 HydrophobicContact CD1-CG2 3.51Å; Y273-V279 HydrophobicContact CD2-CG2 3.85Å; Y273-V279 HydrophobicContact CE1-CB 4.49Å; Y273-V279 HydrophobicContact CE1-CG2 4.12Å; Y273-V279 HydrophobicContact CE2-CG2 4.41Å; Y273-V279 HydrophobicContact CG-CB 4.48Å; Y273-V279 HydrophobicContact CG-CG2 3.35Å | ||
| 274 | G | 76.8 | Confident | 84.1 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 79% | 0.794 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -75.1 | -11 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | D278 | G274-D278 PolarHBondContact N-OD2 3.19Š|
| 275 | G | 86.3 | Confident | 84 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 157.6 | -172.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y273 V277 D278 V279 | Y273-G275 PolarHBondContact O-N 3.36Å; G275-V277 PolarHBondContact O-N 3.19Å; G275-D278 PolarHBondContact O-N 2.95Å; G275-V279 WeakPolarHBondContact O-CG2 3.38Å; G275-V279 PolarHBondContact O-N 3.31Å; G275-V279 VanDerWaalsContact O-N 3.12Å |
| 276 | V | 88.7 | Confident | 83.9 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 28% | 0.279 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | -178.5 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | V201 P202 V262 L266 D278 V279 I280 | V201-V276 HydrophobicContact CB-CG2 4.39Å; V201-V276 HydrophobicContact CG1-CG2 4.37Å; P202-V276 HydrophobicContact CG-CG1 4.34Å; P202-V276 HydrophobicContact CG-CG2 3.88Å; V262-V276 HydrophobicContact CG1-CG1 3.91Å; L266-V276 HydrophobicContact CD1-CB 4.39Å; L266-V276 HydrophobicContact CD1-CG2 3.77Å; V276-D278 VanDerWaalsContact C-N 3.34Å; V276-D278 PolarHBondContact O-N 3.26Å; V276-V279 PolarHBondContact O-N 3.17Å; V276-I280 HydrophobicContact CG1-CD1 3.92Å; V276-I280 WeakPolarHBondContact O-CG1 3.35Å; V276-I280 PolarHBondContact O-N 2.79Å |
| 277 | V | 90 | Very high | 83.7 | Confident | 126 Ų | 126 | 70.3 Ų | 70.3 | 76% | 0.764 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | -179 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | G275 I280 G281 | G275-V277 PolarHBondContact O-N 3.19Å; V277-I280 PolarHBondContact O-N 3.41Å; V277-G281 PolarHBondContact O-N 2.95Å |
| 278 | D | 89.3 | Confident | 83.7 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.8 | -176.6 | 38.5 | 0 | 0 | 0 | 111.4 | G274 G275 V276 G281 R282 | G274-D278 PolarHBondContact N-OD2 3.19Å; G275-D278 PolarHBondContact O-N 2.95Å; V276-D278 VanDerWaalsContact C-N 3.34Å; V276-D278 PolarHBondContact O-N 3.26Å; D278-G281 PolarHBondContact O-N 2.82Å; D278-R282 WeakPolarHBondContact O-CB 3.46Å; D278-R282 WeakPolarHBondContact O-CG 3.33Å; D278-R282 PolarHBondContact O-N 2.9Å; D278-R282 IonicContact OD1-CZ 3.41Å; D278-R282 IonicContact OD1-NE 2.77Å; D278-R282 PolarHBondContact OD1-NE 3.27Å; D278-R282 IonicContact OD1-NH2 3.8Å; D278-R282 PolarHBondContact OD1-NH2 3.12Å; D278-R282 IonicContact OD2-CZ 3.28Å; D278-R282 VanDerWaalsContact OD2-CZ 3.28Å; D278-R282 IonicContact OD2-NE 3.33Å; D278-R282 PolarHBondContact OD2-NE 2.92Å; D278-R282 IonicContact OD2-NH2 3.09Å; D278-R282 PolarHBondContact OD2-NH2 3.09Å |
| 279 | V | 88.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | V262 R265 L266 Y273 G275 V276 T283 | V262-V279 HydrophobicContact CB-CG1 4.42Å; V262-V279 HydrophobicContact CG1-CB 4.27Å; V262-V279 HydrophobicContact CG1-CG1 4.05Å; V262-V279 HydrophobicContact CG2-CG1 4.39Å; R265-V279 HydrophobicContact CB-CG1 3.78Å; L266-V279 HydrophobicContact CD1-CG2 4.35Å; L266-V279 HydrophobicContact CD2-CG2 3.54Å; L266-V279 HydrophobicContact CG-CG2 3.59Å; Y273-V279 HydrophobicContact CD1-CB 4.21Å; Y273-V279 HydrophobicContact CD1-CG2 3.51Å; Y273-V279 HydrophobicContact CD2-CG2 3.85Å; Y273-V279 HydrophobicContact CE1-CB 4.49Å; Y273-V279 HydrophobicContact CE1-CG2 4.12Å; Y273-V279 HydrophobicContact CE2-CG2 4.41Å; Y273-V279 HydrophobicContact CG-CB 4.48Å; Y273-V279 HydrophobicContact CG-CG2 3.35Å; G275-V279 WeakPolarHBondContact O-CG2 3.38Å; G275-V279 PolarHBondContact O-N 3.31Å; G275-V279 VanDerWaalsContact O-N 3.12Å; V276-V279 PolarHBondContact O-N 3.17Å; V279-T283 WeakPolarHBondContact O-CB 3.33Å; V279-T283 PolarHBondContact O-N 3.4Å; V279-T283 PolarHBondContact O-OG1 2.91Å |
| 280 | I | 90 | Very high | 84.4 | Confident | 73 Ų | 73 | 76.9 Ų | 76.9 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 179.4 | -67.4 | 167.9 | 0 | 0 | 0 | 110.1 | V262 V276 V277 T283 W284 F292 | V262-I280 HydrophobicContact CG1-CG1 4.43Å; V262-I280 HydrophobicContact CG2-CG1 3.94Å; V276-I280 HydrophobicContact CG1-CD1 3.92Å; V276-I280 WeakPolarHBondContact O-CG1 3.35Å; V276-I280 PolarHBondContact O-N 2.79Å; V277-I280 PolarHBondContact O-N 3.41Å; I280-T283 PolarHBondContact O-N 3.2Å; I280-W284 WeakPolarHBondContact O-CB 3.49Å; I280-W284 PolarHBondContact O-N 2.89Å; I280-F292 HydrophobicContact CB-CZ 4.48Å; I280-F292 HydrophobicContact CG1-CE1 4.32Å; I280-F292 HydrophobicContact CG2-CE1 4.36Å; I280-F292 HydrophobicContact CG2-CZ 4.01Å |
| 281 | G | 89.9 | Confident | 85 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | V277 D278 W284 R285 | V277-G281 PolarHBondContact O-N 2.95Å; D278-G281 PolarHBondContact O-N 2.82Å; G281-W284 PolarHBondContact O-N 3.13Å; G281-R285 WeakPolarHBondContact O-CB 3.39Å; G281-R285 PolarHBondContact O-N 3.3Å |
| 282 | R | 87.9 | Confident | 85.9 | Confident | 112 Ų | 112 | 73.3 Ų | 73.3 | 42% | 0.423 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 177.1 | -69.3 | -176.2 | -163.5 | -168.3 | 6.6 | 112.4 | D278 R285 N286 | D278-R282 WeakPolarHBondContact O-CB 3.46Å; D278-R282 WeakPolarHBondContact O-CG 3.33Å; D278-R282 PolarHBondContact O-N 2.9Å; D278-R282 IonicContact OD1-CZ 3.41Å; D278-R282 IonicContact OD1-NE 2.77Å; D278-R282 PolarHBondContact OD1-NE 3.27Å; D278-R282 IonicContact OD1-NH2 3.8Å; D278-R282 PolarHBondContact OD1-NH2 3.12Å; D278-R282 IonicContact OD2-CZ 3.28Å; D278-R282 VanDerWaalsContact OD2-CZ 3.28Å; D278-R282 IonicContact OD2-NE 3.33Å; D278-R282 PolarHBondContact OD2-NE 2.92Å; D278-R282 IonicContact OD2-NH2 3.09Å; D278-R282 PolarHBondContact OD2-NH2 3.09Å; R282-R285 PolarHBondContact O-N 3.4Å; R282-N286 VanDerWaalsContact O-CB 3.25Å; R282-N286 WeakPolarHBondContact O-CB 3.47Å; R282-N286 VanDerWaalsContact O-CG 3.25Å; R282-N286 PolarHBondContact O-N 3.14Å |
| 283 | T | 88 | Confident | 86.7 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 176.9 | -57 | 0 | 0 | 0 | 0 | 110.5 | R265 V279 I280 E287 G288 F292 | R265-T283 PolarHBondContact NH1-OG1 3.22Å; V279-T283 WeakPolarHBondContact O-CB 3.33Å; V279-T283 PolarHBondContact O-N 3.4Å; V279-T283 PolarHBondContact O-OG1 2.91Å; I280-T283 PolarHBondContact O-N 3.2Å; T283-E287 WeakPolarHBondContact O-CB 3.19Å; T283-E287 PolarHBondContact O-N 3.29Å; T283-G288 PolarHBondContact O-N 2.76Å; T283-F292 HydrophobicContact CG2-CD1 4.2Å; T283-F292 HydrophobicContact CG2-CD2 3.96Å; T283-F292 HydrophobicContact CG2-CE1 3.95Å; T283-F292 HydrophobicContact CG2-CE2 3.68Å; T283-F292 HydrophobicContact CG2-CG 4.22Å; T283-F292 HydrophobicContact CG2-CZ 3.68Å |
| 284 | W | 90.1 | Very high | 86.9 | Confident | 169 Ų | 169 | 68.1 Ų | 68.1 | 64% | 0.64 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 177.2 | -176.3 | -96 | 0 | 0 | 0 | 112.2 | I280 G281 G288 A289 F292 | I280-W284 WeakPolarHBondContact O-CB 3.49Å; I280-W284 PolarHBondContact O-N 2.89Å; G281-W284 PolarHBondContact O-N 3.13Å; W284-G288 VanDerWaalsContact O-CA 3.23Å; W284-G288 WeakPolarHBondContact O-CA 3.11Å; W284-G288 PolarHBondContact O-N 2.88Å; W284-A289 HydrophobicContact CZ3-CB 4.12Å; W284-F292 HydrophobicContact CB-CE2 4.42Å; W284-F292 HydrophobicContact CE3-CE2 4.11Å |
| 285 | R | 86.9 | Confident | 87.2 | Confident | 218 Ų | 218 | 64.8 Ų | 64.8 | 82% | 0.823 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.6 | -37.2 | -178.1 | -175.4 | 172 | 171.8 | 164.6 | -2.1 | 113.5 | G281 R282 | G281-R285 WeakPolarHBondContact O-CB 3.39Å; G281-R285 PolarHBondContact O-N 3.3Å; R282-R285 PolarHBondContact O-N 3.4Å |
| 286 | N | 85.1 | Confident | 87.1 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -91.7 | -30 | -173.6 | -64.2 | -9.7 | 0 | 0 | 0 | 113.3 | R282 | R282-N286 VanDerWaalsContact O-CB 3.25Å; R282-N286 WeakPolarHBondContact O-CB 3.47Å; R282-N286 VanDerWaalsContact O-CG 3.25Å; R282-N286 PolarHBondContact O-N 3.14Å |
| 287 | E | 83.8 | Confident | 87 | Confident | 36 Ų | 36 | 67 Ų | 67 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -132.2 | -8.5 | -169.7 | -60.5 | 169.7 | -125.3 | 0 | 0 | 113.8 | D70 R265 T283 G291 K294 | D70-E287 VanDerWaalsContact CA-OE1 3.31Å; D70-E287 WeakPolarHBondContact CA-OE1 3.42Å; D70-E287 WeakPolarHBondContact CB-OE1 3.43Å; R265-E287 IonicContact CZ-OE1 3.23Å; R265-E287 VanDerWaalsContact CZ-OE1 3.3Å; R265-E287 IonicContact CZ-OE2 2.81Å; R265-E287 IonicContact NH1-OE1 3.79Å; R265-E287 PolarHBondContact NH1-OE1 3.33Å; R265-E287 IonicContact NH1-OE2 2.66Å; R265-E287 VanDerWaalsContact NH2-CD 3.29Å; R265-E287 IonicContact NH2-OE1 3.69Å; R265-E287 PolarHBondContact NH2-OE1 3.48Å; R265-E287 IonicContact NH2-OE2 2.73Å; R265-E287 PolarHBondContact NH2-OE2 3.07Å; T283-E287 WeakPolarHBondContact O-CB 3.19Å; T283-E287 PolarHBondContact O-N 3.29Å; E287-G291 WeakPolarHBondContact OE2-CA 3.44Å; E287-K294 WeakPolarHBondContact OE2-CD 3.42Å; E287-K294 WeakPolarHBondContact OE2-CE 3.36Å; E287-K294 IonicContact OE2-NZ 2.66Å; E287-K294 PolarHBondContact OE2-NZ 2.67Å |
| 288 | G | 87 | Confident | 86.7 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | 62.9 | -157.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T283 W284 S290 G291 | T283-G288 PolarHBondContact O-N 2.76Å; W284-G288 VanDerWaalsContact O-CA 3.23Å; W284-G288 WeakPolarHBondContact O-CA 3.11Å; W284-G288 PolarHBondContact O-N 2.88Å; G288-S290 VanDerWaalsContact C-N 3.26Å; G288-S290 PolarHBondContact O-N 3.33Å; G288-G291 PolarHBondContact O-N 3.43Å |
| 289 | A | 86.6 | Confident | 86.5 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -30.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W284 G291 F292 Y293 | W284-A289 HydrophobicContact CZ3-CB 4.12Å; A289-G291 VanDerWaalsContact C-N 3.27Å; A289-G291 PolarHBondContact O-N 2.89Å; A289-F292 PolarHBondContact O-N 3.22Å; A289-Y293 WeakPolarHBondContact O-CD2 3.45Å |
| 290 | S | 85.6 | Confident | 86.3 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 62% | 0.622 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.2 | -31 | -179.9 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | G288 F292 Y293 K294 | G288-S290 VanDerWaalsContact C-N 3.26Å; G288-S290 PolarHBondContact O-N 3.33Å; S290-F292 VanDerWaalsContact C-N 3.26Å; S290-F292 PolarHBondContact O-N 2.96Å; S290-Y293 PolarHBondContact O-N 3.47Å; S290-K294 PolarHBondContact O-N 3.43Å |
| 291 | G | 84.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.8 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E287 G288 A289 Y293 K294 | E287-G291 WeakPolarHBondContact OE2-CA 3.44Å; G288-G291 PolarHBondContact O-N 3.43Å; A289-G291 VanDerWaalsContact C-N 3.27Å; A289-G291 PolarHBondContact O-N 2.89Å; G291-Y293 PolarHBondContact O-N 3.37Å; G291-K294 PolarHBondContact O-N 2.92Å |
| 292 | F | 87.8 | Confident | 85.9 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 10% | 0.101 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.2 | 179.7 | -65.2 | -81.7 | 0 | 0 | 0 | 114.3 | Y257 P258 V261 V262 I280 T283 W284 A289 S290 | Y257-F292 VanDerWaalsContact CD1-O 3.26Å; Y257-F292 WeakPolarHBondContact CD1-O 3.23Å; P258-F292 HydrophobicContact CB-CB 4.08Å; P258-F292 HydrophobicContact CB-CD1 4.2Å; P258-F292 HydrophobicContact CB-CG 4.47Å; P258-F292 HydrophobicContact CG-CB 4.34Å; V261-F292 WeakPolarHBondContact CG2-O 3.4Å; V262-F292 HydrophobicContact CG2-CD1 4.13Å; V262-F292 HydrophobicContact CG2-CE1 3.9Å; I280-F292 HydrophobicContact CB-CZ 4.48Å; I280-F292 HydrophobicContact CG1-CE1 4.32Å; I280-F292 HydrophobicContact CG2-CE1 4.36Å; I280-F292 HydrophobicContact CG2-CZ 4.01Å; T283-F292 HydrophobicContact CG2-CD1 4.2Å; T283-F292 HydrophobicContact CG2-CD2 3.96Å; T283-F292 HydrophobicContact CG2-CE1 3.95Å; T283-F292 HydrophobicContact CG2-CE2 3.68Å; T283-F292 HydrophobicContact CG2-CG 4.22Å; T283-F292 HydrophobicContact CG2-CZ 3.68Å; W284-F292 HydrophobicContact CB-CE2 4.42Å; W284-F292 HydrophobicContact CE3-CE2 4.11Å; A289-F292 PolarHBondContact O-N 3.22Å; S290-F292 VanDerWaalsContact C-N 3.26Å; S290-F292 PolarHBondContact O-N 2.96Å |
| 293 | Y | 88.8 | Confident | 85.6 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 7.7 | -179.9 | -67.8 | -86.4 | 0 | 0 | 0 | 113.4 | Y257 P258 A289 S290 G291 G295 I296 | Y257-Y293 HydrophobicContact CD1-CD1 4.25Å; P258-Y293 HydrophobicContact CG-CE1 4.4Å; P258-Y293 HydrophobicContact CG-CE2 4.38Å; A289-Y293 WeakPolarHBondContact O-CD2 3.45Å; S290-Y293 PolarHBondContact O-N 3.47Å; G291-Y293 PolarHBondContact O-N 3.37Å; Y293-G295 PolarHBondContact O-N 3.45Å; Y293-I296 HydrophobicContact CD1-CD1 4.06Å; Y293-I296 WeakPolarHBondContact O-CB 3.21Å; Y293-I296 VanDerWaalsContact O-CG2 3.26Å; Y293-I296 WeakPolarHBondContact O-CG2 3.39Å; Y293-I296 PolarHBondContact O-N 3.03Å; Y293-I296 VanDerWaalsContact O-N 3.14Å |
| 294 | K | 84.2 | Confident | 85.4 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 126.3 | 178.5 | -77.8 | -175.4 | 171.2 | 174.4 | 0 | 112.2 | F66 A67 S69 Y257 E287 S290 G291 | F66-K294 WeakPolarHBondContact O-CB 3.09Å; A67-K294 WeakPolarHBondContact CA-O 3.38Å; S69-K294 WeakPolarHBondContact O-CD 3.23Å; S69-K294 PolarHBondContact O-NZ 3.45Å; Y257-K294 WeakPolarHBondContact CE1-O 3.37Å; Y257-K294 PolarHBondContact OH-O 2.85Å; E287-K294 WeakPolarHBondContact OE2-CD 3.42Å; E287-K294 WeakPolarHBondContact OE2-CE 3.36Å; E287-K294 IonicContact OE2-NZ 2.66Å; E287-K294 PolarHBondContact OE2-NZ 2.67Å; S290-K294 PolarHBondContact O-N 3.43Å; G291-K294 PolarHBondContact O-N 2.92Å |
| 295 | G | 81.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 4.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y257 Y293 V297 P298 N299 | Y257-G295 VanDerWaalsContact OH-CA 3.27Å; Y257-G295 WeakPolarHBondContact OH-CA 3.46Å; Y257-G295 PolarHBondContact OH-O 3.48Å; Y257-G295 VanDerWaalsContact OH-O 3.09Å; Y293-G295 PolarHBondContact O-N 3.45Å; G295-V297 VanDerWaalsContact C-N 3.28Å; G295-V297 PolarHBondContact O-N 3.37Å; G295-P298 VanDerWaalsContact C-CD 3.49Å; G295-P298 WeakPolarHBondContact O-CD 3.26Å; G295-P298 WeakPolarHBondContact O-CG 3.21Å; G295-N299 PolarHBondContact O-N 3.12Å |
| 296 | I | 86 | Confident | 85.1 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 18% | 0.179 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 178.3 | -166.1 | 167 | 0 | 0 | 0 | 111.7 | V253 Y257 Y293 N299 L300 | V253-I296 HydrophobicContact CG1-CD1 4.48Å; V253-I296 HydrophobicContact CG1-CG1 4.44Å; Y257-I296 HydrophobicContact CD1-CB 4.23Å; Y257-I296 HydrophobicContact CD2-CB 4.12Å; Y257-I296 HydrophobicContact CD2-CD1 4.17Å; Y257-I296 HydrophobicContact CD2-CG1 3.88Å; Y257-I296 HydrophobicContact CE1-CB 4.02Å; Y257-I296 HydrophobicContact CE2-CB 3.91Å; Y257-I296 HydrophobicContact CE2-CG1 4.05Å; Y257-I296 HydrophobicContact CG-CB 4.29Å; Y257-I296 HydrophobicContact CG-CD1 4.1Å; Y257-I296 HydrophobicContact CG-CG1 4.22Å; Y257-I296 VanDerWaalsContact CZ-N 3.32Å; Y257-I296 PolarHBondContact OH-N 3.07Å; Y257-I296 VanDerWaalsContact OH-N 3.12Å; Y293-I296 HydrophobicContact CD1-CD1 4.06Å; Y293-I296 WeakPolarHBondContact O-CB 3.21Å; Y293-I296 VanDerWaalsContact O-CG2 3.26Å; Y293-I296 WeakPolarHBondContact O-CG2 3.39Å; Y293-I296 PolarHBondContact O-N 3.03Å; Y293-I296 VanDerWaalsContact O-N 3.14Å; I296-N299 WeakPolarHBondContact O-CB 3.36Å; I296-N299 PolarHBondContact O-N 3.32Å; I296-L300 HydrophobicContact CG1-CD1 4.14Å; I296-L300 HydrophobicContact CG1-CG 4.25Å; I296-L300 WeakPolarHBondContact O-CG 3.42Å; I296-L300 PolarHBondContact O-N 3.05Å |
| 297 | V | 85.8 | Confident | 84.9 | Confident | 84 Ų | 84 | 47.8 Ų | 47.8 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.7 | -55.9 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | I81 G295 N299 L300 I301 | I81-V297 HydrophobicContact CD1-CG1 4.05Å; G295-V297 VanDerWaalsContact C-N 3.28Å; G295-V297 PolarHBondContact O-N 3.37Å; V297-N299 PolarHBondContact O-N 3.28Å; V297-L300 PolarHBondContact O-N 2.63Å; V297-L300 VanDerWaalsContact O-N 3.15Å; V297-I301 HydrophobicContact CG1-CD1 3.73Å; V297-I301 HydrophobicContact CG1-CG1 4.39Å; V297-I301 WeakPolarHBondContact O-CG1 3.33Å; V297-I301 PolarHBondContact O-N 3.06Å |
| 298 | P | 83.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -32.3 | 176.1 | 20.4 | -30.2 | 0 | 0 | 0 | 112.3 | V62 K63 I81 G295 R302 | V62-P298 HydrophobicContact CG1-CB 4.27Å; V62-P298 HydrophobicContact CG1-CG 4.31Å; K63-P298 HydrophobicContact CB-CB 4.47Å; K63-P298 HydrophobicContact CB-CG 4.33Å; I81-P298 HydrophobicContact CD1-CB 3.97Å; I81-P298 HydrophobicContact CD1-CG 4.39Å; I81-P298 HydrophobicContact CG1-CB 4.36Å; G295-P298 VanDerWaalsContact C-CD 3.49Å; G295-P298 WeakPolarHBondContact O-CD 3.26Å; G295-P298 WeakPolarHBondContact O-CG 3.21Å; P298-R302 VanDerWaalsContact O-CB 3.32Å; P298-R302 WeakPolarHBondContact O-CB 3.23Å; P298-R302 PolarHBondContact O-N 2.59Å; P298-R302 VanDerWaalsContact O-N 3.08Å |
| 299 | N | 85.5 | Confident | 84.8 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174 | -174.9 | 69.8 | 0 | 0 | 0 | 112.5 | K63 V253 Y257 G295 I296 V297 R302 V303 | K63-N299 HydrophobicContact CD-CB 3.83Å; K63-N299 WeakPolarHBondContact CE-OD1 3.41Å; K63-N299 HydrophobicContact CG-CB 4.28Å; K63-N299 PolarHBondContact NZ-OD1 2.85Å; V253-N299 WeakPolarHBondContact CG1-ND2 3.31Å; Y257-N299 HydrophobicContact CE2-CB 4.18Å; G295-N299 PolarHBondContact O-N 3.12Å; I296-N299 WeakPolarHBondContact O-CB 3.36Å; I296-N299 PolarHBondContact O-N 3.32Å; V297-N299 PolarHBondContact O-N 3.28Å; N299-R302 WeakPolarHBondContact O-CB 3.38Å; N299-R302 PolarHBondContact O-N 2.69Å; N299-V303 WeakPolarHBondContact O-CG2 3.2Å; N299-V303 PolarHBondContact O-N 3.18Å |
| 300 | L | 84.6 | Confident | 84.7 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69 | -44.8 | 179.2 | -70.4 | 174.5 | 0 | 0 | 0 | 111.8 | I250 V253 I296 V297 R302 V303 | I250-L300 HydrophobicContact CG1-CD2 4.32Å; V253-L300 HydrophobicContact CG1-CD2 4.44Å; I296-L300 HydrophobicContact CG1-CD1 4.14Å; I296-L300 HydrophobicContact CG1-CG 4.25Å; I296-L300 WeakPolarHBondContact O-CG 3.42Å; I296-L300 PolarHBondContact O-N 3.05Å; V297-L300 PolarHBondContact O-N 2.63Å; V297-L300 VanDerWaalsContact O-N 3.15Å; L300-R302 PolarHBondContact O-N 2.73Å; L300-V303 PolarHBondContact O-N 2.62Å; L300-V303 VanDerWaalsContact O-N 3.09Å |
| 301 | I | 86.9 | Confident | 84.7 | Confident | 88 Ų | 88 | 51 Ų | 51 | 45% | 0.451 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.4 | -34.8 | 176.5 | -68.2 | 171.7 | 0 | 0 | 0 | 110.9 | L59 I81 V297 P305 | L59-I301 HydrophobicContact CD1-CG2 4.38Å; I81-I301 HydrophobicContact CD1-CD1 3.87Å; V297-I301 HydrophobicContact CG1-CD1 3.73Å; V297-I301 HydrophobicContact CG1-CG1 4.39Å; V297-I301 WeakPolarHBondContact O-CG1 3.33Å; V297-I301 PolarHBondContact O-N 3.06Å; I301-P305 WeakPolarHBondContact O-CD 3.22Å; I301-P305 WeakPolarHBondContact O-CG 3.2Å |
| 302 | R | 85.2 | Confident | 84.8 | Confident | 61 Ų | 61 | 54.5 Ų | 54.5 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68 | -31.5 | 178.5 | -164.6 | -172.1 | 78.6 | 114.4 | 7.7 | 113.5 | L56 L59 D60 P298 N299 L300 P305 A306 | L56-R302 HydrophobicContact CB-CG 3.91Å; L56-R302 HydrophobicContact CD1-CG 4.06Å; L56-R302 HydrophobicContact CG-CG 4.45Å; L59-R302 HydrophobicContact CB-CB 4.35Å; L59-R302 HydrophobicContact CB-CG 4.21Å; L59-R302 HydrophobicContact CD1-CB 4.16Å; L59-R302 HydrophobicContact CD1-CG 4.28Å; D60-R302 VanDerWaalsContact CG-NH1 3.29Å; D60-R302 WeakPolarHBondContact OD1-CD 3.4Å; D60-R302 IonicContact OD1-CZ 3.01Å; D60-R302 IonicContact OD1-NE 3.24Å; D60-R302 PolarHBondContact OD1-NE 3.16Å; D60-R302 VanDerWaalsContact OD1-NE 3.07Å; D60-R302 IonicContact OD1-NH1 2.6Å; D60-R302 PolarHBondContact OD1-NH1 2.81Å; D60-R302 IonicContact OD2-CZ 2.82Å; D60-R302 IonicContact OD2-NH1 3.04Å; D60-R302 PolarHBondContact OD2-NH1 3.17Å; P298-R302 VanDerWaalsContact O-CB 3.32Å; P298-R302 WeakPolarHBondContact O-CB 3.23Å; P298-R302 PolarHBondContact O-N 2.59Å; P298-R302 VanDerWaalsContact O-N 3.08Å; N299-R302 WeakPolarHBondContact O-CB 3.38Å; N299-R302 PolarHBondContact O-N 2.69Å; L300-R302 PolarHBondContact O-N 2.73Å; R302-P305 WeakPolarHBondContact O-CD 3.27Å; R302-A306 WeakPolarHBondContact O-CB 3.26Å; R302-A306 PolarHBondContact O-N 2.98Å; R302-A306 VanDerWaalsContact O-N 3.07Å |
| 303 | V | 81.2 | Confident | 84.8 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -46.9 | -169.2 | 167.3 | 0 | 0 | 0 | 0 | 112.2 | K249 N299 L300 A306 C307 | K249-V303 HydrophobicContact CD-CG1 3.97Å; N299-V303 WeakPolarHBondContact O-CG2 3.2Å; N299-V303 PolarHBondContact O-N 3.18Å; L300-V303 PolarHBondContact O-N 2.62Å; L300-V303 VanDerWaalsContact O-N 3.09Å; V303-A306 PolarHBondContact O-N 3.12Å; V303-C307 PolarHBondContact O-N 3.05Å; V303-C307 VanDerWaalsContact O-N 3.13Å; V303-C307 PolarHBondContact O-SG 2.96Å; V303-C307 VanDerWaalsContact O-SG 3.4Å |
| 304 | T | 82.6 | Confident | 84.6 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.1 | -52.1 | -175.8 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | A306 C307 C308 | T304-A306 VanDerWaalsContact C-N 3.25Å; T304-A306 PolarHBondContact O-N 2.78Å; T304-C307 PolarHBondContact O-N 2.74Å; T304-C308 PolarHBondContact O-N 3.27Å; T304-C308 VanDerWaalsContact O-N 3.1Å; T304-C308 PolarHBondContact O-SG 3.26Å; T304-C308 VanDerWaalsContact O-SG 3.33Å |
| 305 | P | 85.8 | Confident | 84.6 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 174.9 | -22.9 | 34.9 | 0 | 0 | 0 | 112.6 | L56 I301 R302 C307 C308 I309 | L56-P305 HydrophobicContact CD1-CB 4.26Å; L56-P305 HydrophobicContact CD2-CB 3.92Å; I301-P305 WeakPolarHBondContact O-CD 3.22Å; I301-P305 WeakPolarHBondContact O-CG 3.2Å; R302-P305 WeakPolarHBondContact O-CD 3.27Å; P305-C307 VanDerWaalsContact C-N 3.33Å; P305-C307 PolarHBondContact O-N 3.47Å; P305-C308 PolarHBondContact O-N 3.05Å; P305-I309 WeakPolarHBondContact O-CB 3.41Å; P305-I309 WeakPolarHBondContact O-CD1 3.25Å; P305-I309 VanDerWaalsContact O-CG1 3.24Å; P305-I309 WeakPolarHBondContact O-CG1 3.49Å; P305-I309 PolarHBondContact O-N 3.32Å |
| 306 | A | 84.8 | Confident | 84.8 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 12% | 0.116 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S52 L56 R302 V303 T304 T310 | S52-A306 WeakPolarHBondContact OG-CA 3.23Å; S52-A306 PolarHBondContact OG-O 3.1Å; L56-A306 HydrophobicContact CD1-CB 3.38Å; L56-A306 VanDerWaalsContact CD1-N 3.29Å; R302-A306 WeakPolarHBondContact O-CB 3.26Å; R302-A306 PolarHBondContact O-N 2.98Å; R302-A306 VanDerWaalsContact O-N 3.07Å; V303-A306 PolarHBondContact O-N 3.12Å; T304-A306 VanDerWaalsContact C-N 3.25Å; T304-A306 PolarHBondContact O-N 2.78Å; A306-T310 VanDerWaalsContact O-CB 3.31Å; A306-T310 WeakPolarHBondContact O-CB 3.21Å; A306-T310 PolarHBondContact O-N 3.42Å; A306-T310 PolarHBondContact O-OG1 2.93Å |
| 307 | C | 81.1 | Confident | 84.8 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | V303 T304 P305 T310 F311 | V303-C307 PolarHBondContact O-N 3.05Å; V303-C307 VanDerWaalsContact O-N 3.13Å; V303-C307 PolarHBondContact O-SG 2.96Å; V303-C307 VanDerWaalsContact O-SG 3.4Å; T304-C307 PolarHBondContact O-N 2.74Å; P305-C307 VanDerWaalsContact C-N 3.33Å; P305-C307 PolarHBondContact O-N 3.47Å; C307-T310 PolarHBondContact O-N 3.44Å; C307-F311 WeakPolarHBondContact O-CB 3.24Å; C307-F311 PolarHBondContact O-N 3.25Å |
| 308 | C | 83 | Confident | 84.6 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 179.7 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | T304 P305 F311 V312 | T304-C308 PolarHBondContact O-N 3.27Å; T304-C308 VanDerWaalsContact O-N 3.1Å; T304-C308 PolarHBondContact O-SG 3.26Å; T304-C308 VanDerWaalsContact O-SG 3.33Å; P305-C308 PolarHBondContact O-N 3.05Å; C308-F311 PolarHBondContact O-N 3.33Å; C308-V312 WeakPolarHBondContact O-CB 3.34Å; C308-V312 VanDerWaalsContact O-CG2 3.31Å; C308-V312 WeakPolarHBondContact O-CG2 3.46Å; C308-V312 PolarHBondContact O-N 3.46Å |
| 309 | I | 86.7 | Confident | 84.6 | Confident | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.185 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | -179.7 | -65 | 162.7 | 0 | 0 | 0 | 110.4 | V51 V55 L56 P305 F311 V312 V313 | V51-I309 HydrophobicContact CG1-CG2 4.11Å; V55-I309 HydrophobicContact CB-CD1 4.04Å; V55-I309 HydrophobicContact CG1-CD1 3.66Å; L56-I309 HydrophobicContact CD1-CD1 4.23Å; L56-I309 HydrophobicContact CD2-CD1 4.32Å; L56-I309 HydrophobicContact CG-CD1 4.18Å; P305-I309 WeakPolarHBondContact O-CB 3.41Å; P305-I309 WeakPolarHBondContact O-CD1 3.25Å; P305-I309 VanDerWaalsContact O-CG1 3.24Å; P305-I309 WeakPolarHBondContact O-CG1 3.49Å; P305-I309 PolarHBondContact O-N 3.32Å; I309-F311 VanDerWaalsContact C-N 3.29Å; I309-F311 PolarHBondContact O-N 2.77Å; I309-V312 PolarHBondContact O-N 3.39Å; I309-V313 HydrophobicContact CG2-CG2 4.11Å; I309-V313 WeakPolarHBondContact O-CB 3.43Å; I309-V313 WeakPolarHBondContact O-CG2 3.5Å; I309-V313 PolarHBondContact O-N 3.35Å |
| 310 | T | 84.7 | Confident | 84.6 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 29% | 0.288 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 179.2 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | S52 A306 C307 Y314 | S52-T310 WeakPolarHBondContact CB-OG1 3.41Å; S52-T310 PolarHBondContact OG-OG1 3.19Å; A306-T310 VanDerWaalsContact O-CB 3.31Å; A306-T310 WeakPolarHBondContact O-CB 3.21Å; A306-T310 PolarHBondContact O-N 3.42Å; A306-T310 PolarHBondContact O-OG1 2.93Å; C307-T310 PolarHBondContact O-N 3.44Å; T310-Y314 WeakPolarHBondContact O-CB 3.46Å; T310-Y314 PolarHBondContact O-N 2.87Å |
| 311 | F | 84.3 | Confident | 84.4 | Confident | 118 Ų | 118 | 68.8 Ų | 68.8 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -49.6 | 179.3 | -173.8 | -98.5 | 0 | 0 | 0 | 112.1 | C307 C308 I309 V313 Y314 E315 | C307-F311 WeakPolarHBondContact O-CB 3.24Å; C307-F311 PolarHBondContact O-N 3.25Å; C308-F311 PolarHBondContact O-N 3.33Å; I309-F311 VanDerWaalsContact C-N 3.29Å; I309-F311 PolarHBondContact O-N 2.77Å; F311-V313 VanDerWaalsContact C-N 3.34Å; F311-V313 PolarHBondContact O-N 2.93Å; F311-Y314 WeakPolarHBondContact O-CB 3.33Å; F311-Y314 PolarHBondContact O-N 2.91Å; F311-E315 HydrophobicContact CD1-CG 4.25Å; F311-E315 HydrophobicContact CE1-CG 3.86Å; F311-E315 WeakPolarHBondContact CE1-OE1 3.38Å; F311-E315 HydrophobicContact CE2-CG 4.46Å; F311-E315 HydrophobicContact CZ-CG 3.97Å; F311-E315 WeakPolarHBondContact CZ-OE1 3.5Å; F311-E315 WeakPolarHBondContact O-CG 3.48Å; F311-E315 PolarHBondContact O-N 3.46Å |
| 312 | V | 87.4 | Confident | 83.9 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 178.8 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | C308 I309 E315 N316 | C308-V312 WeakPolarHBondContact O-CB 3.34Å; C308-V312 VanDerWaalsContact O-CG2 3.31Å; C308-V312 WeakPolarHBondContact O-CG2 3.46Å; C308-V312 PolarHBondContact O-N 3.46Å; I309-V312 PolarHBondContact O-N 3.39Å; V312-E315 PolarHBondContact O-N 3.27Å; V312-N316 WeakPolarHBondContact O-CB 3.32Å; V312-N316 PolarHBondContact O-N 2.94Å; V312-N316 PolarHBondContact O-ND2 3.37Å |
| 313 | V | 86.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 15% | 0.145 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | G48 V51 I309 F311 N316 V317 | G48-V313 VanDerWaalsContact CA-CG1 3.44Å; V51-V313 HydrophobicContact CB-CG2 4.13Å; V51-V313 HydrophobicContact CG1-CG2 3.88Å; V51-V313 HydrophobicContact CG2-CG1 4.42Å; I309-V313 HydrophobicContact CG2-CG2 4.11Å; I309-V313 WeakPolarHBondContact O-CB 3.43Å; I309-V313 WeakPolarHBondContact O-CG2 3.5Å; I309-V313 PolarHBondContact O-N 3.35Å; F311-V313 VanDerWaalsContact C-N 3.34Å; F311-V313 PolarHBondContact O-N 2.93Å; V313-N316 PolarHBondContact O-N 3.44Å; V313-V317 HydrophobicContact CG1-CG2 4.02Å; V313-V317 WeakPolarHBondContact O-CB 3.4Å; V313-V317 VanDerWaalsContact O-CG2 3.26Å; V313-V317 WeakPolarHBondContact O-CG2 3.46Å; V313-V317 PolarHBondContact O-N 2.91Å |
| 314 | Y | 84.3 | Confident | 81.7 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 30% | 0.302 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 175.6 | 176.8 | -88.8 | 0 | 0 | 0 | 111.4 | N41 A44 T310 F311 S318 | N41-Y314 HydrophobicContact CB-CE2 4.44Å; N41-Y314 PolarHBondContact OD1-OH 2.86Å; A44-Y314 HydrophobicContact CB-CD2 3.7Å; A44-Y314 HydrophobicContact CB-CE2 3.97Å; A44-Y314 HydrophobicContact CB-CG 4.34Å; T310-Y314 WeakPolarHBondContact O-CB 3.46Å; T310-Y314 PolarHBondContact O-N 2.87Å; F311-Y314 WeakPolarHBondContact O-CB 3.33Å; F311-Y314 PolarHBondContact O-N 2.91Å; Y314-S318 WeakPolarHBondContact O-CB 3.21Å; Y314-S318 PolarHBondContact O-N 3.39Å |
| 315 | E | 84.6 | Confident | 79.8 | Confident | 66 Ų | 66 | 80 Ų | 80 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 178.7 | -72.6 | -167 | 143.6 | 0 | 0 | 112 | F311 V312 R319 | F311-E315 HydrophobicContact CD1-CG 4.25Å; F311-E315 HydrophobicContact CE1-CG 3.86Å; F311-E315 WeakPolarHBondContact CE1-OE1 3.38Å; F311-E315 HydrophobicContact CE2-CG 4.46Å; F311-E315 HydrophobicContact CZ-CG 3.97Å; F311-E315 WeakPolarHBondContact CZ-OE1 3.5Å; F311-E315 WeakPolarHBondContact O-CG 3.48Å; F311-E315 PolarHBondContact O-N 3.46Å; V312-E315 PolarHBondContact O-N 3.27Å; E315-R319 WeakPolarHBondContact O-CB 3.25Å; E315-R319 VanDerWaalsContact O-CG 3.24Å; E315-R319 WeakPolarHBondContact O-CG 3.36Å; E315-R319 PolarHBondContact O-N 3.2Å; E315-R319 IonicContact OE2-NH2 3.29Å |
| 316 | N | 87.2 | Confident | 79.5 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | -178.8 | -75.1 | -30.8 | 0 | 0 | 0 | 112.4 | V312 V313 F320 | V312-N316 WeakPolarHBondContact O-CB 3.32Å; V312-N316 PolarHBondContact O-N 2.94Å; V312-N316 PolarHBondContact O-ND2 3.37Å; V313-N316 PolarHBondContact O-N 3.44Å; N316-F320 WeakPolarHBondContact O-CB 3.15Å; N316-F320 PolarHBondContact O-N 3.12Å |
| 317 | V | 84.7 | Confident | 79.2 | Confident | 36 Ų | 36 | 85.2 Ų | 85.2 | 22% | 0.218 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -72.7 | -38.3 | 179.5 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | V43 A44 V313 F320 L321 | V43-V317 HydrophobicContact CG1-CG1 4.39Å; A44-V317 HydrophobicContact CB-CB 3.94Å; A44-V317 HydrophobicContact CB-CG1 3.83Å; V313-V317 HydrophobicContact CG1-CG2 4.02Å; V313-V317 WeakPolarHBondContact O-CB 3.4Å; V313-V317 VanDerWaalsContact O-CG2 3.26Å; V313-V317 WeakPolarHBondContact O-CG2 3.46Å; V313-V317 PolarHBondContact O-N 2.91Å; V317-F320 PolarHBondContact O-N 2.91Å; V317-L321 HydrophobicContact CG1-CD1 3.73Å; V317-L321 HydrophobicContact CG1-CG 4.23Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 VanDerWaalsContact O-CG 3.29Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.25Å |
| 318 | S | 81.6 | Confident | 79.1 | Confident | 16 Ų | 16 | 85.9 Ų | 85.9 | 11% | 0.112 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | Y314 F320 L321 L322 | Y314-S318 WeakPolarHBondContact O-CB 3.21Å; Y314-S318 PolarHBondContact O-N 3.39Å; S318-F320 PolarHBondContact O-N 3.08Å; S318-L321 PolarHBondContact O-N 2.66Å; S318-L322 VanDerWaalsContact O-CB 3.24Å; S318-L322 WeakPolarHBondContact O-CB 3.31Å; S318-L322 WeakPolarHBondContact O-CG 3.37Å; S318-L322 PolarHBondContact O-N 3.3Å; S318-L322 WeakPolarHBondContact OG-CD1 3.23Å |
| 319 | R | 83.9 | Confident | 78.8 | Confident | 139 Ų | 139 | 86.8 Ų | 86.8 | 53% | 0.525 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.1 | -74.6 | 178.4 | -163.3 | 170 | 9.5 | 112.3 | E315 L321 G323 | E315-R319 WeakPolarHBondContact O-CB 3.25Å; E315-R319 VanDerWaalsContact O-CG 3.24Å; E315-R319 WeakPolarHBondContact O-CG 3.36Å; E315-R319 PolarHBondContact O-N 3.2Å; E315-R319 IonicContact OE2-NH2 3.29Å; R319-L321 PolarHBondContact O-N 3.3Å; R319-G323 PolarHBondContact O-N 2.96Å; R319-G323 VanDerWaalsContact O-N 3.14Å |
| 320 | F | 84.6 | Confident | 78.3 | Confident | 172 Ų | 172 | 89.9 Ų | 89.9 | 75% | 0.754 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 178.1 | -179.4 | -98.4 | 0 | 0 | 0 | 112.3 | N316 V317 S318 | N316-F320 WeakPolarHBondContact O-CB 3.15Å; N316-F320 PolarHBondContact O-N 3.12Å; V317-F320 PolarHBondContact O-N 2.91Å; S318-F320 PolarHBondContact O-N 3.08Å |
| 321 | L | 80.9 | Confident | 77.9 | Confident | 69 Ų | 69 | 92.8 Ų | 92.8 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -79 | -34.4 | -178 | -67.1 | 174 | 0 | 0 | 0 | 113.3 | E40 V43 V317 S318 R319 G323 | E40-L321 HydrophobicContact CB-CB 3.83Å; E40-L321 HydrophobicContact CB-CD1 4.1Å; E40-L321 HydrophobicContact CG-CB 3.74Å; V43-L321 HydrophobicContact CB-CD1 3.87Å; V43-L321 HydrophobicContact CG1-CD1 3.78Å; V317-L321 HydrophobicContact CG1-CD1 3.73Å; V317-L321 HydrophobicContact CG1-CG 4.23Å; V317-L321 WeakPolarHBondContact O-CB 3.35Å; V317-L321 VanDerWaalsContact O-CG 3.29Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.25Å; S318-L321 PolarHBondContact O-N 2.66Å; R319-L321 PolarHBondContact O-N 3.3Å; L321-G323 VanDerWaalsContact C-N 3.3Å |
| 322 | L | 77 | Confident | 77.5 | Confident | 74 Ų | 74 | 91 Ų | 91 | 39% | 0.387 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -83.3 | -4.3 | 179 | -67.8 | 171.4 | 0 | 0 | 0 | 113.5 | E40 S318 T324 | E40-L322 HydrophobicContact CB-CD2 4.26Å; E40-L322 HydrophobicContact CB-CG 4.36Å; E40-L322 VanDerWaalsContact CD-CD2 3.45Å; E40-L322 HydrophobicContact CG-CD2 3.98Å; E40-L322 HydrophobicContact CG-CG 4.39Å; E40-L322 WeakPolarHBondContact OE2-CD2 3.24Å; S318-L322 VanDerWaalsContact O-CB 3.24Å; S318-L322 WeakPolarHBondContact O-CB 3.31Å; S318-L322 WeakPolarHBondContact O-CG 3.37Å; S318-L322 PolarHBondContact O-N 3.3Å; S318-L322 WeakPolarHBondContact OG-CD1 3.23Å; L322-T324 PolarHBondContact O-N 3.22Å; L322-T324 VanDerWaalsContact O-N 3.08Å |
| 323 | G | 64.3 | Low | 76.7 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 8.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R319 L321 K325 | R319-G323 PolarHBondContact O-N 2.96Å; R319-G323 VanDerWaalsContact O-N 3.14Å; L321-G323 VanDerWaalsContact C-N 3.3Å; G323-K325 PolarHBondContact O-N 3.02Å |
| 324 | T | 55.5 | Low | 75.9 | Confident | 97 Ų | 97 | 97.9 Ų | 97.9 | 60% | 0.595 | 49% | 0.491 | S | S | * | . | trans | -79.7 | 100.1 | 174 | 15.2 | 0 | 0 | 0 | 0 | 109.4 | L322 | L322-T324 PolarHBondContact O-N 3.22Å; L322-T324 VanDerWaalsContact O-N 3.08Å | ||
| 325 | K | 41.7 | Very low | 75.1 | Confident | 278 Ų | 278 | 99.8 Ų | 99.8 | 100% | 1.209 | 51% | 0.508 | S | S | * | . | trans | -56.2 | 0 | 163.5 | -82.9 | -175.5 | 176.2 | 178.9 | 0 | 111.2 | G323 | G323-K325 PolarHBondContact O-N 3.02Š|
Retrieved 325 of 325 residues in 107.2 ms
(Link to these results)