| 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 | 39.2 | Very low | 43 | Very low | 247 Ų | 247 | 149.1 Ų | 149.1 | 100% | 1.217 | 87% | 0.867 | S | S | * | * | 0 | 95.6 | 0 | -83.2 | -179.7 | -173 | 0 | 0 | 105.9 | |||||
| 2 | E | 30.3 | Very low | 43.1 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 150.7 | -174 | -80 | 165.1 | 103.5 | 0 | 0 | 111.6 | ||
| 3 | P | 42.4 | Very low | 43.3 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 71% | 0.714 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 156 | 173.5 | 29.2 | -33.8 | 0 | 0 | 0 | 110.2 | M5 | P3-M5 PolarHBondContact O-N 3.2Š|
| 4 | P | 52.1 | Low | 43.4 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 122.7 | -179.1 | 23.5 | -25.9 | 0 | 0 | 0 | 110.1 | ||
| 5 | M | 45.5 | Very low | 44 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 137.7 | 173.6 | -90.7 | -175.6 | -107.1 | 0 | 0 | 112.1 | P3 | P3-M5 PolarHBondContact O-N 3.2Š|
| 6 | E | 48.3 | Very low | 44.1 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.3 | 171.7 | -62.9 | -171.5 | 125.9 | 0 | 0 | 111 | S8 | E6-S8 PolarHBondContact O-N 2.97Š|
| 7 | P | 44.5 | Very low | 44.9 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -78.4 | 112 | 174.5 | 30.2 | -29.5 | 0 | 0 | 0 | 110 | ||||
| 8 | S | 45.1 | Very low | 46.1 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -66 | 126.2 | 167.3 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | E6 | E6-S8 PolarHBondContact O-N 2.97Š| ||
| 9 | G | 47.5 | Very low | 46.8 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | 77.4 | 92.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 10 | G | 35.7 | Very low | 47.6 | Very low | 60 Ų | 60 | 129.4 Ų | 129.4 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | trans | -163.5 | 98.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q12 | G10-Q12 PolarHBondContact O-N 3.29Š| ||
| 11 | E | 42.8 | Very low | 48.6 | Very low | 204 Ų | 204 | 127.5 Ų | 127.5 | 95% | 0.953 | 73% | 0.732 | S | S | * | * | trans | -2.1 | 102.1 | 173.4 | -65.4 | 170.9 | 134 | 0 | 0 | 116 | ||||
| 12 | Q | 43.3 | Very low | 49.7 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 50% | 0.495 | 69% | 0.689 | S | S | . | * | trans | -102.9 | 127 | -179.8 | -144.8 | 113.1 | -5.5 | 0 | 0 | 109.6 | G10 | G10-Q12 PolarHBondContact O-N 3.29Š| ||
| 13 | E | 46.5 | Very low | 51.5 | Low | 160 Ų | 160 | 112.9 Ų | 112.9 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | trans | -56 | 132.6 | 166.6 | -75.2 | -161.7 | 146.5 | 0 | 0 | 110.3 | G15 | E13-G15 PolarHBondContact O-N 3.11Š| ||
| 14 | P | 43.7 | Very low | 52.5 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 90% | 0.903 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 95.5 | -177.4 | 29.9 | -31.5 | 0 | 0 | 0 | 109.5 | ||
| 15 | G | 53.2 | Low | 52.8 | Low | 73 Ų | 73 | 112.2 Ų | 112.2 | 75% | 0.753 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143 | -12.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E13 V17 | E13-G15 PolarHBondContact O-N 3.11Å; G15-V17 PolarHBondContact O-N 2.85Å |
| 16 | A | 46.3 | Very low | 53.4 | Low | 59 Ų | 59 | 108.9 Ų | 108.9 | 49% | 0.488 | 63% | 0.626 | S | S | . | * | trans | -89.5 | 84 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R18 | A16-R18 PolarHBondContact O-N 3.07Å; A16-R18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | V | 57.4 | Low | 53.9 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | trans | -60.8 | 112.3 | 168 | -173.7 | 0 | 0 | 0 | 0 | 107.3 | G15 D21 | G15-V17 PolarHBondContact O-N 2.85Å; V17-D21 HydrophobicContact CG1-CB 4.17Å | ||
| 18 | R | 65.3 | Low | 54.8 | Low | 145 Ų | 145 | 96.6 Ų | 96.6 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | trans | -76.3 | 148.4 | 177.5 | -60.8 | 179.1 | 175.3 | 144.9 | 0.8 | 107.6 | A16 L20 D21 | A16-R18 PolarHBondContact O-N 3.07Å; A16-R18 VanDerWaalsContact O-N 3.07Å; R18-L20 PolarHBondContact O-N 3.36Å; R18-D21 VanDerWaalsContact CB-OD2 3.3Å; R18-D21 WeakPolarHBondContact CB-OD2 3.46Å; R18-D21 PolarHBondContact N-OD2 2.85Å; R18-D21 VanDerWaalsContact O-CB 3.3Å; R18-D21 WeakPolarHBondContact O-CB 3.43Å; R18-D21 PolarHBondContact O-N 3.21Å | ||
| 19 | F | 60.3 | Low | 55.7 | Low | 78 Ų | 78 | 92 Ų | 92 | 34% | 0.342 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -52.2 | -32.7 | -180 | -179.5 | -100.5 | 0 | 0 | 0 | 113.6 | D21 L22 L28 V32 F51 | F19-D21 VanDerWaalsContact C-N 3.32Å; F19-L22 HydrophobicContact CD2-CD1 4.46Å; F19-L28 HydrophobicContact CD1-CD2 4.26Å; F19-L28 HydrophobicContact CD2-CD2 4.07Å; F19-L28 HydrophobicContact CE1-CD1 4.37Å; F19-L28 HydrophobicContact CE1-CD2 3.78Å; F19-L28 HydrophobicContact CE2-CD2 3.57Å; F19-L28 HydrophobicContact CG-CD2 4.4Å; F19-L28 HydrophobicContact CZ-CD2 3.43Å; F19-L28 VanDerWaalsContact CZ-CD2 3.43Å; F19-L28 WeakPolarHBondContact O-CD1 3.23Å; F19-V32 HydrophobicContact CE2-CB 4.27Å; F19-V32 HydrophobicContact CE2-CG1 3.75Å; F19-V32 HydrophobicContact CE2-CG2 4.07Å; F19-V32 HydrophobicContact CZ-CB 4.1Å; F19-V32 HydrophobicContact CZ-CG1 3.62Å; F19-V32 HydrophobicContact CZ-CG2 4.35Å; F19-F51 AromaticContact CD1-CE1 3.87Å; F19-F51 HydrophobicContact CD1-CE1 3.87Å; F19-F51 AromaticContact CD1-CZ 3.88Å; F19-F51 HydrophobicContact CD1-CZ 3.88Å; F19-F51 AromaticContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CZ 4.26Å |
| 20 | L | 63.4 | Low | 56.3 | Low | 76 Ų | 76 | 90.8 Ų | 90.8 | 40% | 0.398 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -81.1 | -8.8 | 179.3 | -62.9 | 173.2 | 0 | 0 | 0 | 114 | R18 A50 F51 L54 | R18-L20 PolarHBondContact O-N 3.36Å; L20-A50 HydrophobicContact CD1-CB 4.1Å; L20-F51 HydrophobicContact CD1-CE2 4.31Å; L20-F51 HydrophobicContact CD2-CE1 4.29Å; L20-F51 HydrophobicContact CD2-CE2 4.37Å; L20-F51 HydrophobicContact CD2-CZ 4.12Å; L20-F51 HydrophobicContact CG-CZ 4.44Å; L20-L54 HydrophobicContact CD2-CD1 3.44Å; L20-L54 VanDerWaalsContact CD2-CD1 3.44Å |
| 21 | D | 67.6 | Low | 57.5 | Low | 90 Ų | 90 | 93.6 Ų | 93.6 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -81.6 | -8.7 | 175.2 | -54.5 | -24.2 | 0 | 0 | 0 | 111.1 | V17 R18 F19 | V17-D21 HydrophobicContact CG1-CB 4.17Å; R18-D21 VanDerWaalsContact CB-OD2 3.3Å; R18-D21 WeakPolarHBondContact CB-OD2 3.46Å; R18-D21 PolarHBondContact N-OD2 2.85Å; R18-D21 VanDerWaalsContact O-CB 3.3Å; R18-D21 WeakPolarHBondContact O-CB 3.43Å; R18-D21 PolarHBondContact O-N 3.21Å; F19-D21 VanDerWaalsContact C-N 3.32Å |
| 22 | L | 62.7 | Low | 58.6 | Low | 61 Ų | 61 | 86 Ų | 86 | 32% | 0.319 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -77 | 141.8 | 173.6 | -66.8 | 169.3 | 0 | 0 | 0 | 110.7 | F19 W24 V27 L28 | F19-L22 HydrophobicContact CD2-CD1 4.46Å; L22-W24 PolarHBondContact O-N 2.99Å; L22-W24 VanDerWaalsContact O-N 3.14Å; L22-V27 HydrophobicContact CB-CG1 4.42Å; L22-V27 HydrophobicContact CD1-CG1 4.32Å; L22-L28 HydrophobicContact CB-CD1 4.27Å; L22-L28 HydrophobicContact CB-CD2 3.79Å; L22-L28 HydrophobicContact CB-CG 3.9Å; L22-L28 HydrophobicContact CD1-CD2 3.81Å; L22-L28 HydrophobicContact CG-CD2 4.44Å; L22-L28 WeakPolarHBondContact O-CD1 3.23Å |
| 23 | P | 68.6 | Low | 59.7 | Low | 66 Ų | 66 | 81.1 Ų | 81.1 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | trans | -60.5 | 120.1 | 178.3 | 22.8 | -31.1 | 0 | 0 | 0 | 110.2 | V27 L28 | P23-V27 HydrophobicContact CG-CB 4.29Å; P23-V27 HydrophobicContact CG-CG2 3.83Å; P23-V27 WeakPolarHBondContact O-CB 3.47Å; P23-V27 PolarHBondContact O-N 3.14Å; P23-L28 PolarHBondContact O-N 3.45Å | ||
| 24 | W | 63.2 | Low | 60.8 | Low | 104 Ų | 104 | 78.8 Ų | 78.8 | 39% | 0.394 | 44% | 0.437 | S | S | . | . | I | π-helix | trans | -74.8 | -32.3 | -167.6 | 57.8 | -88.3 | 0 | 0 | 0 | 113 | L22 L28 L29 L54 L57 | L22-W24 PolarHBondContact O-N 2.99Å; L22-W24 VanDerWaalsContact O-N 3.14Å; W24-L28 HydrophobicContact CB-CB 4.37Å; W24-L28 HydrophobicContact CB-CD1 4.14Å; W24-L29 HydrophobicContact CE3-CD1 3.52Å; W24-L29 HydrophobicContact CE3-CG 4.34Å; W24-L29 HydrophobicContact CZ3-CD1 3.76Å; W24-L29 VanDerWaalsContact O-CB 3.23Å; W24-L29 WeakPolarHBondContact O-CB 3.3Å; W24-L29 WeakPolarHBondContact O-CG 3.3Å; W24-L29 PolarHBondContact O-N 3.32Å; W24-L54 HydrophobicContact CB-CD2 3.51Å; W24-L54 HydrophobicContact CG-CD2 4.14Å; W24-L57 HydrophobicContact CE3-CD1 4.14Å; W24-L57 HydrophobicContact CH2-CD1 4.24Å; W24-L57 HydrophobicContact CZ3-CD1 3.8Å; W24-L57 HydrophobicContact CZ3-CD2 4.23Å; W24-L57 HydrophobicContact CZ3-CG 4.46Å |
| 25 | E | 57.3 | Low | 61.8 | Low | 121 Ų | 121 | 82.4 Ų | 82.4 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | I | π-helix | trans | -70.1 | -41.9 | 176.5 | -68.4 | -174.6 | 158.1 | 0 | 0 | 112.8 | P30 | E25-P30 WeakPolarHBondContact O-CD 3.05Å; E25-P30 WeakPolarHBondContact O-CG 3.21Å |
| 26 | D | 58.1 | Low | 62.4 | Low | 114 Ų | 114 | 80.5 Ų | 80.5 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | I | π-helix | trans | -93.4 | -33.3 | -171.1 | -62.7 | -43.6 | 0 | 0 | 0 | 113.5 | P30 H31 | D26-P30 WeakPolarHBondContact O-CG 3.43Å; D26-H31 PolarHBondContact O-ND1 3.24Å; D26-H31 VanDerWaalsContact O-ND1 3.11Å |
| 27 | V | 60.2 | Low | 63.4 | Low | 53 Ų | 53 | 80.5 Ų | 80.5 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | I | π-helix | trans | -116 | -53 | -170.8 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | L22 P23 H31 V32 | L22-V27 HydrophobicContact CB-CG1 4.42Å; L22-V27 HydrophobicContact CD1-CG1 4.32Å; P23-V27 HydrophobicContact CG-CB 4.29Å; P23-V27 HydrophobicContact CG-CG2 3.83Å; P23-V27 WeakPolarHBondContact O-CB 3.47Å; P23-V27 PolarHBondContact O-N 3.14Å; V27-H31 VanDerWaalsContact O-CB 3.32Å; V27-H31 WeakPolarHBondContact O-CB 3.48Å; V27-H31 PolarHBondContact O-N 2.86Å; V27-V32 PolarHBondContact O-N 3.03Å |
| 28 | L | 62.1 | Low | 63.8 | Low | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -72.1 | -46.8 | -173.1 | -59.6 | 179.9 | 0 | 0 | 0 | 113 | F19 L22 P23 W24 V32 L33 L54 | F19-L28 HydrophobicContact CD1-CD2 4.26Å; F19-L28 HydrophobicContact CD2-CD2 4.07Å; F19-L28 HydrophobicContact CE1-CD1 4.37Å; F19-L28 HydrophobicContact CE1-CD2 3.78Å; F19-L28 HydrophobicContact CE2-CD2 3.57Å; F19-L28 HydrophobicContact CG-CD2 4.4Å; F19-L28 HydrophobicContact CZ-CD2 3.43Å; F19-L28 VanDerWaalsContact CZ-CD2 3.43Å; F19-L28 WeakPolarHBondContact O-CD1 3.23Å; L22-L28 HydrophobicContact CB-CD1 4.27Å; L22-L28 HydrophobicContact CB-CD2 3.79Å; L22-L28 HydrophobicContact CB-CG 3.9Å; L22-L28 HydrophobicContact CD1-CD2 3.81Å; L22-L28 HydrophobicContact CG-CD2 4.44Å; L22-L28 WeakPolarHBondContact O-CD1 3.23Å; P23-L28 PolarHBondContact O-N 3.45Å; W24-L28 HydrophobicContact CB-CB 4.37Å; W24-L28 HydrophobicContact CB-CD1 4.14Å; L28-V32 HydrophobicContact CD2-CG2 4.25Å; L28-V32 PolarHBondContact O-N 3.47Å; L28-L33 WeakPolarHBondContact O-CB 3.35Å; L28-L33 WeakPolarHBondContact O-CG 3.17Å; L28-L33 PolarHBondContact O-N 3.27Å; L28-L54 HydrophobicContact CD1-CD1 4.4Å |
| 29 | L | 63.7 | Low | 63.8 | Low | 28 Ų | 28 | 74.1 Ų | 74.1 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -67.3 | -50.2 | 180 | -73.6 | 173.3 | 0 | 0 | 0 | 112.9 | W24 L33 N34 L57 H58 | W24-L29 HydrophobicContact CE3-CD1 3.52Å; W24-L29 HydrophobicContact CE3-CG 4.34Å; W24-L29 HydrophobicContact CZ3-CD1 3.76Å; W24-L29 VanDerWaalsContact O-CB 3.23Å; W24-L29 WeakPolarHBondContact O-CB 3.3Å; W24-L29 WeakPolarHBondContact O-CG 3.3Å; W24-L29 PolarHBondContact O-N 3.32Å; L29-L33 HydrophobicContact CD2-CD1 3.79Å; L29-L33 HydrophobicContact CG-CD1 4.49Å; L29-N34 PolarHBondContact O-N 3.2Å; L29-L57 HydrophobicContact CD2-CB 4.49Å; L29-H58 HydrophobicContact CD2-CB 3.45Å; L29-H58 VanDerWaalsContact CD2-CB 3.45Å |
| 30 | P | 61.5 | Low | 64.3 | Low | 57 Ų | 57 | 75.4 Ų | 75.4 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -82.9 | -34.1 | -171.1 | -11.7 | 29.9 | 0 | 0 | 0 | 112.8 | E25 D26 N34 | E25-P30 WeakPolarHBondContact O-CD 3.05Å; E25-P30 WeakPolarHBondContact O-CG 3.21Å; D26-P30 WeakPolarHBondContact O-CG 3.43Å; P30-N34 VanDerWaalsContact O-CB 3.23Å; P30-N34 WeakPolarHBondContact O-CB 3.32Å |
| 31 | H | 61.2 | Low | 64.7 | Low | 120 Ų | 120 | 71.9 Ų | 71.9 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -104.4 | -32.8 | -169 | -64.8 | 87 | 0 | 0 | 0 | 113.6 | D26 V27 | D26-H31 PolarHBondContact O-ND1 3.24Å; D26-H31 VanDerWaalsContact O-ND1 3.11Å; V27-H31 VanDerWaalsContact O-CB 3.32Å; V27-H31 WeakPolarHBondContact O-CB 3.48Å; V27-H31 PolarHBondContact O-N 2.86Å |
| 32 | V | 66.1 | Low | 64.8 | Low | 45 Ų | 45 | 69.4 Ų | 69.4 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -98.5 | -62.5 | -179.1 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | F19 V27 L28 N34 R35 V36 | F19-V32 HydrophobicContact CE2-CB 4.27Å; F19-V32 HydrophobicContact CE2-CG1 3.75Å; F19-V32 HydrophobicContact CE2-CG2 4.07Å; F19-V32 HydrophobicContact CZ-CB 4.1Å; F19-V32 HydrophobicContact CZ-CG1 3.62Å; F19-V32 HydrophobicContact CZ-CG2 4.35Å; V27-V32 PolarHBondContact O-N 3.03Å; L28-V32 HydrophobicContact CD2-CG2 4.25Å; L28-V32 PolarHBondContact O-N 3.47Å; V32-N34 VanDerWaalsContact C-N 3.28Å; V32-N34 PolarHBondContact O-N 3.29Å; V32-R35 PolarHBondContact O-N 3.13Å; V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.42Å |
| 33 | L | 65.5 | Low | 65.2 | Low | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -64.9 | -33.5 | -172 | -65.4 | 169 | 0 | 0 | 0 | 112.1 | L28 L29 R35 V36 L41 L54 H58 | L28-L33 WeakPolarHBondContact O-CB 3.35Å; L28-L33 WeakPolarHBondContact O-CG 3.17Å; L28-L33 PolarHBondContact O-N 3.27Å; L29-L33 HydrophobicContact CD2-CD1 3.79Å; L29-L33 HydrophobicContact CG-CD1 4.49Å; L33-R35 PolarHBondContact O-N 2.85Å; L33-V36 PolarHBondContact O-N 2.98Å; L33-V36 VanDerWaalsContact O-N 3.13Å; L33-L41 HydrophobicContact CB-CD2 4.06Å; L33-L41 HydrophobicContact CD2-CD2 3.32Å; L33-L41 HydrophobicContact CG-CD2 4.26Å; L33-L54 HydrophobicContact CD1-CB 4.39Å; L33-H58 HydrophobicContact CD1-CB 4.33Å |
| 34 | N | 68.9 | Low | 65.3 | Low | 111 Ų | 111 | 73.9 Ų | 73.9 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -65.4 | -21.6 | 174.8 | -153.9 | 14.5 | 0 | 0 | 0 | 113.8 | L29 P30 V32 H58 | L29-N34 PolarHBondContact O-N 3.2Å; P30-N34 VanDerWaalsContact O-CB 3.23Å; P30-N34 WeakPolarHBondContact O-CB 3.32Å; V32-N34 VanDerWaalsContact C-N 3.28Å; V32-N34 PolarHBondContact O-N 3.29Å; N34-H58 PolarHBondContact N-CE1 2.99Å |
| 35 | R | 65.4 | Low | 65.7 | Low | 215 Ų | 215 | 69.3 Ų | 69.3 | 81% | 0.811 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -95.9 | -8.9 | 175.8 | -65.6 | -162.2 | 179.1 | -161.3 | 2.8 | 113.2 | V32 L33 | V32-R35 PolarHBondContact O-N 3.13Å; L33-R35 PolarHBondContact O-N 2.85Å |
| 36 | V | 65.1 | Low | 66.6 | Low | 32 Ų | 32 | 74.1 Ų | 74.1 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -88.2 | 126.2 | 179.8 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | V32 L33 L38 Q40 L41 L44 | V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.42Å; L33-V36 PolarHBondContact O-N 2.98Å; L33-V36 VanDerWaalsContact O-N 3.13Å; V36-L38 PolarHBondContact O-N 3.26Å; V36-Q40 HydrophobicContact CG1-CB 3.43Å; V36-Q40 VanDerWaalsContact CG1-CB 3.43Å; V36-L41 HydrophobicContact CB-CD2 3.95Å; V36-L41 HydrophobicContact CB-CG 4.14Å; V36-L41 HydrophobicContact CG1-CD2 3.87Å; V36-L41 HydrophobicContact CG1-CG 3.85Å; V36-L44 HydrophobicContact CG1-CD1 4.49Å |
| 37 | P | 66.9 | Low | 67.6 | Low | 59 Ų | 59 | 73.4 Ų | 73.4 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | trans | -59.8 | 142.1 | 177.5 | 23.3 | -31.9 | 0 | 0 | 0 | 110.3 | R39 Q40 L41 | P37-R39 PolarHBondContact O-N 3.11Å; P37-Q40 HydrophobicContact CG-CB 4.19Å; P37-Q40 HydrophobicContact CG-CG 4.02Å; P37-Q40 WeakPolarHBondContact O-CA 3.37Å; P37-Q40 PolarHBondContact O-N 3.45Å; P37-L41 PolarHBondContact O-N 3.39Å; P37-L41 VanDerWaalsContact O-N 3.16Å | ||
| 38 | L | 67.1 | Low | 68.6 | Low | 14 Ų | 14 | 73.4 Ų | 73.4 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -49.4 | -32.8 | -178 | -74.8 | 166.6 | 0 | 0 | 0 | 113.3 | V36 Q40 L41 L42 L59 L62 F65 V70 | V36-L38 PolarHBondContact O-N 3.26Å; L38-Q40 PolarHBondContact O-N 3.24Å; L38-L41 HydrophobicContact CD2-CD1 4.13Å; L38-L41 PolarHBondContact O-N 3.15Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.08Å; L38-L59 HydrophobicContact CD2-CD2 4.16Å; L38-L62 HydrophobicContact CD2-CD1 3.9Å; L38-F65 HydrophobicContact CD1-CD2 3.86Å; L38-F65 HydrophobicContact CD1-CE2 3.81Å; L38-V70 HydrophobicContact CB-CG2 3.76Å; L38-V70 HydrophobicContact CD1-CG2 3.8Å; L38-V70 HydrophobicContact CG-CG2 4.44Å |
| 39 | R | 65.7 | Low | 69.4 | Low | 108 Ų | 108 | 83.6 Ų | 83.6 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 173.8 | -179.9 | 177.5 | -70.9 | -101.8 | -8.1 | 113.2 | P37 R43 V70 | P37-R39 PolarHBondContact O-N 3.11Å; R39-R43 PolarHBondContact O-N 2.92Å; R39-V70 PolarHBondContact NE-O 2.76Å; R39-V70 PolarHBondContact NH2-O 2.8Å |
| 40 | Q | 70.5 | Confident | 69.9 | Low | 106 Ų | 106 | 84.2 Ų | 84.2 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -74.8 | -37 | 177 | -76.3 | -175.6 | -6.2 | 0 | 0 | 111.1 | V36 P37 L38 L42 R43 L44 | V36-Q40 HydrophobicContact CG1-CB 3.43Å; V36-Q40 VanDerWaalsContact CG1-CB 3.43Å; P37-Q40 HydrophobicContact CG-CB 4.19Å; P37-Q40 HydrophobicContact CG-CG 4.02Å; P37-Q40 WeakPolarHBondContact O-CA 3.37Å; P37-Q40 PolarHBondContact O-N 3.45Å; L38-Q40 PolarHBondContact O-N 3.24Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 3.4Å; Q40-R43 WeakPolarHBondContact O-CB 3.45Å; Q40-R43 PolarHBondContact O-N 2.93Å; Q40-L44 WeakPolarHBondContact O-CG 3.39Å; Q40-L44 PolarHBondContact O-N 3.41Å |
| 41 | L | 71.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 172.3 | -67.1 | 175.5 | 0 | 0 | 0 | 112 | L33 V36 P37 L38 R43 L44 Q45 V55 | L33-L41 HydrophobicContact CB-CD2 4.06Å; L33-L41 HydrophobicContact CD2-CD2 3.32Å; L33-L41 HydrophobicContact CG-CD2 4.26Å; V36-L41 HydrophobicContact CB-CD2 3.95Å; V36-L41 HydrophobicContact CB-CG 4.14Å; V36-L41 HydrophobicContact CG1-CD2 3.87Å; V36-L41 HydrophobicContact CG1-CG 3.85Å; P37-L41 PolarHBondContact O-N 3.39Å; P37-L41 VanDerWaalsContact O-N 3.16Å; L38-L41 HydrophobicContact CD2-CD1 4.13Å; L38-L41 PolarHBondContact O-N 3.15Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.45Å; L41-L44 HydrophobicContact CD2-CD1 4.39Å; L41-L44 WeakPolarHBondContact O-CB 3.5Å; L41-L44 PolarHBondContact O-N 3.08Å; L41-Q45 PolarHBondContact O-N 3.42Å; L41-Q45 VanDerWaalsContact O-N 3.11Å; L41-V55 HydrophobicContact CB-CG1 4.13Å; L41-V55 HydrophobicContact CB-CG2 4.45Å; L41-V55 HydrophobicContact CD2-CG2 4.29Å |
| 42 | L | 69.9 | Low | 71.1 | Confident | 38 Ų | 38 | 82.9 Ų | 82.9 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 174 | -79.4 | 172.1 | 0 | 0 | 0 | 113.3 | L38 Q40 V70 L82 | L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.08Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 3.4Å; L42-V70 HydrophobicContact CD1-CG1 4.04Å; L42-L82 HydrophobicContact CD1-CD1 3.92Å; L42-L82 HydrophobicContact CD1-CD2 4.41Å; L42-L82 HydrophobicContact CD2-CD1 4.22Å; L42-L82 HydrophobicContact CD2-CD2 3.57Å; L42-L82 HydrophobicContact CD2-CG 3.89Å; L42-L82 HydrophobicContact CG-CD1 4.37Å; L42-L82 HydrophobicContact CG-CD2 3.95Å; L42-L82 HydrophobicContact CG-CG 4.45Å |
| 43 | R | 71.3 | Confident | 71.6 | Confident | 173 Ų | 173 | 83.8 Ų | 83.8 | 65% | 0.653 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.3 | -39 | 174.1 | -71.7 | -177.1 | 176.5 | -178 | -1.2 | 110.9 | R39 Q40 L41 Q45 R46 | R39-R43 PolarHBondContact O-N 2.92Å; Q40-R43 WeakPolarHBondContact O-CB 3.45Å; Q40-R43 PolarHBondContact O-N 2.93Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.45Å; R43-Q45 VanDerWaalsContact C-N 3.3Å; R43-Q45 PolarHBondContact O-N 3.25Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.26Å; R43-R46 VanDerWaalsContact O-N 3.08Å |
| 44 | L | 70.9 | Confident | 72 | Confident | 47 Ų | 47 | 84.4 Ų | 84.4 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 177.7 | -70.5 | 172 | 0 | 0 | 0 | 112.6 | V36 Q40 L41 R46 V47 F51 V55 | V36-L44 HydrophobicContact CG1-CD1 4.49Å; Q40-L44 WeakPolarHBondContact O-CG 3.39Å; Q40-L44 PolarHBondContact O-N 3.41Å; L41-L44 HydrophobicContact CD2-CD1 4.39Å; L41-L44 WeakPolarHBondContact O-CB 3.5Å; L41-L44 PolarHBondContact O-N 3.08Å; L44-R46 PolarHBondContact O-N 3.29Å; L44-V47 HydrophobicContact CD2-CG2 4.35Å; L44-V47 WeakPolarHBondContact O-CB 3.24Å; L44-V47 PolarHBondContact O-N 3.43Å; L44-F51 HydrophobicContact CB-CD1 4.33Å; L44-F51 HydrophobicContact CD2-CD1 4.34Å; L44-F51 HydrophobicContact CD2-CE1 4.34Å; L44-F51 WeakPolarHBondContact O-CB 3.47Å; L44-V55 HydrophobicContact CB-CG2 4.34Å |
| 45 | Q | 71.4 | Confident | 72.3 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.1 | 173.8 | -72.8 | -168.3 | -17.4 | 0 | 0 | 114.5 | L41 R43 R52 V55 | L41-Q45 PolarHBondContact O-N 3.42Å; L41-Q45 VanDerWaalsContact O-N 3.11Å; R43-Q45 VanDerWaalsContact C-N 3.3Å; R43-Q45 PolarHBondContact O-N 3.25Å; Q45-R52 PolarHBondContact O-NE 2.91Å; Q45-V55 HydrophobicContact CG-CB 3.66Å; Q45-V55 HydrophobicContact CG-CG1 3.61Å; Q45-V55 HydrophobicContact CG-CG2 4.07Å |
| 46 | R | 75.1 | Confident | 72.7 | Confident | 222 Ų | 222 | 72.5 Ų | 72.5 | 84% | 0.838 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -8.6 | 179.5 | -61.8 | -175 | 67.6 | 147.8 | -0.6 | 113.2 | R43 L44 | R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.26Å; R43-R46 VanDerWaalsContact O-N 3.08Å; L44-R46 PolarHBondContact O-N 3.29Å |
| 47 | V | 80.3 | Confident | 73.2 | Confident | 98 Ų | 98 | 75 Ų | 75 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -43.2 | -175.1 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | L44 F51 | L44-V47 HydrophobicContact CD2-CG2 4.35Å; L44-V47 WeakPolarHBondContact O-CB 3.24Å; L44-V47 PolarHBondContact O-N 3.43Å; V47-F51 HydrophobicContact CB-CD2 4.28Å; V47-F51 HydrophobicContact CG1-CD2 4.17Å; V47-F51 HydrophobicContact CG1-CE2 4.43Å |
| 48 | S | 80.1 | Confident | 73.6 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | trans | -157 | 161.6 | 179.7 | 179.1 | 0 | 0 | 0 | 0 | 112 | A50 F51 R52 | S48-A50 VanDerWaalsContact C-N 3.25Å; S48-A50 PolarHBondContact O-N 2.75Å; S48-A50 PolarHBondContact OG-N 2.81Å; S48-F51 PolarHBondContact O-N 3.06Å; S48-R52 PolarHBondContact O-N 2.83Å | ||
| 49 | R | 78.6 | Confident | 73.9 | Confident | 216 Ų | 216 | 72.3 Ų | 72.3 | 82% | 0.815 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.1 | -39 | 169.8 | -64.9 | -176.5 | -176.8 | -179.1 | 1.1 | 111.3 | R52 S53 | R49-R52 WeakPolarHBondContact O-CB 3.22Å; R49-R52 PolarHBondContact O-N 3.28Å; R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 3.25Å |
| 50 | A | 75.1 | Confident | 74.3 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L20 S48 R52 S53 L54 | L20-A50 HydrophobicContact CD1-CB 4.1Å; S48-A50 VanDerWaalsContact C-N 3.25Å; S48-A50 PolarHBondContact O-N 2.75Å; S48-A50 PolarHBondContact OG-N 2.81Å; A50-R52 VanDerWaalsContact C-N 3.28Å; A50-R52 PolarHBondContact O-N 2.93Å; A50-S53 PolarHBondContact O-N 2.91Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.03Å |
| 51 | F | 73.2 | Confident | 74.4 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 175.3 | -80.6 | -72.5 | 0 | 0 | 0 | 112.6 | F19 L20 L44 V47 S48 V55 | F19-F51 AromaticContact CD1-CE1 3.87Å; F19-F51 HydrophobicContact CD1-CE1 3.87Å; F19-F51 AromaticContact CD1-CZ 3.88Å; F19-F51 HydrophobicContact CD1-CZ 3.88Å; F19-F51 AromaticContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CZ 4.26Å; L20-F51 HydrophobicContact CD1-CE2 4.31Å; L20-F51 HydrophobicContact CD2-CE1 4.29Å; L20-F51 HydrophobicContact CD2-CE2 4.37Å; L20-F51 HydrophobicContact CD2-CZ 4.12Å; L20-F51 HydrophobicContact CG-CZ 4.44Å; L44-F51 HydrophobicContact CB-CD1 4.33Å; L44-F51 HydrophobicContact CD2-CD1 4.34Å; L44-F51 HydrophobicContact CD2-CE1 4.34Å; L44-F51 WeakPolarHBondContact O-CB 3.47Å; V47-F51 HydrophobicContact CB-CD2 4.28Å; V47-F51 HydrophobicContact CG1-CD2 4.17Å; V47-F51 HydrophobicContact CG1-CE2 4.43Å; S48-F51 PolarHBondContact O-N 3.06Å; F51-V55 WeakPolarHBondContact O-CB 3.16Å; F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 3.37Å |
| 52 | R | 74.6 | Confident | 74.6 | Confident | 116 Ų | 116 | 67.6 Ų | 67.6 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 173.4 | -172.5 | -178.9 | -60.4 | 177.6 | 3.2 | 111.3 | Q45 S48 R49 A50 V55 Q56 | Q45-R52 PolarHBondContact O-NE 2.91Å; S48-R52 PolarHBondContact O-N 2.83Å; R49-R52 WeakPolarHBondContact O-CB 3.22Å; R49-R52 PolarHBondContact O-N 3.28Å; A50-R52 VanDerWaalsContact C-N 3.28Å; A50-R52 PolarHBondContact O-N 2.93Å; R52-V55 PolarHBondContact O-N 3.29Å; R52-Q56 WeakPolarHBondContact O-CG 3.19Å; R52-Q56 PolarHBondContact O-N 2.99Å |
| 53 | S | 75.8 | Confident | 75.3 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.7 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | R49 A50 Q56 L57 | R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 3.25Å; A50-S53 PolarHBondContact O-N 2.91Å; S53-Q56 PolarHBondContact O-N 2.91Å; S53-L57 PolarHBondContact O-N 3.35Å |
| 54 | L | 74.6 | Confident | 75.9 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.2 | -79.9 | 171.5 | 0 | 0 | 0 | 112.7 | L20 W24 L28 L33 A50 Q56 L57 H58 | L20-L54 HydrophobicContact CD2-CD1 3.44Å; L20-L54 VanDerWaalsContact CD2-CD1 3.44Å; W24-L54 HydrophobicContact CB-CD2 3.51Å; W24-L54 HydrophobicContact CG-CD2 4.14Å; L28-L54 HydrophobicContact CD1-CD1 4.4Å; L33-L54 HydrophobicContact CD1-CB 4.39Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.03Å; L54-Q56 VanDerWaalsContact C-N 3.32Å; L54-L57 PolarHBondContact O-N 3.47Å; L54-H58 WeakPolarHBondContact O-CB 3.42Å; L54-H58 PolarHBondContact O-N 3.33Å |
| 55 | V | 76.1 | Confident | 76.6 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 177.4 | 177 | 0 | 0 | 0 | 0 | 110.2 | L41 L44 Q45 F51 R52 H58 L59 | L41-V55 HydrophobicContact CB-CG1 4.13Å; L41-V55 HydrophobicContact CB-CG2 4.45Å; L41-V55 HydrophobicContact CD2-CG2 4.29Å; L44-V55 HydrophobicContact CB-CG2 4.34Å; Q45-V55 HydrophobicContact CG-CB 3.66Å; Q45-V55 HydrophobicContact CG-CG1 3.61Å; Q45-V55 HydrophobicContact CG-CG2 4.07Å; F51-V55 WeakPolarHBondContact O-CB 3.16Å; F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 3.37Å; R52-V55 PolarHBondContact O-N 3.29Å; V55-H58 WeakPolarHBondContact O-CB 3.45Å; V55-H58 PolarHBondContact O-N 3.16Å; V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 HydrophobicContact CG1-CG 4.04Å; V55-L59 WeakPolarHBondContact O-CB 3.41Å; V55-L59 WeakPolarHBondContact O-CG 3.41Å; V55-L59 PolarHBondContact O-N 3.04Å |
| 56 | Q | 74.2 | Confident | 77.2 | Confident | 74 Ų | 74 | 73 Ų | 73 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.8 | -75.7 | -177.1 | -64.4 | 0 | 0 | 112.4 | R52 S53 L54 H58 L59 A60 D85 | R52-Q56 WeakPolarHBondContact O-CG 3.19Å; R52-Q56 PolarHBondContact O-N 2.99Å; S53-Q56 PolarHBondContact O-N 2.91Å; L54-Q56 VanDerWaalsContact C-N 3.32Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 3.41Å; Q56-L59 PolarHBondContact O-N 3.43Å; Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.78Å; Q56-D85 PolarHBondContact NE2-OD2 2.9Å |
| 57 | L | 73.6 | Confident | 77.4 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 44% | 0.44 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 173.3 | -80.1 | 158 | 0 | 0 | 0 | 111.6 | W24 L29 S53 L54 A60 G61 | W24-L57 HydrophobicContact CE3-CD1 4.14Å; W24-L57 HydrophobicContact CH2-CD1 4.24Å; W24-L57 HydrophobicContact CZ3-CD1 3.8Å; W24-L57 HydrophobicContact CZ3-CD2 4.23Å; W24-L57 HydrophobicContact CZ3-CG 4.46Å; L29-L57 HydrophobicContact CD2-CB 4.49Å; S53-L57 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 3.47Å; L57-A60 PolarHBondContact O-N 2.95Å; L57-G61 PolarHBondContact O-N 3.22Å; L57-G61 VanDerWaalsContact O-N 3.15Å |
| 58 | H | 75.4 | Confident | 77.1 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 175.6 | -170.1 | 68.1 | 0 | 0 | 0 | 112.4 | L29 L33 N34 L54 V55 Q56 A60 G61 L62 | L29-H58 HydrophobicContact CD2-CB 3.45Å; L29-H58 VanDerWaalsContact CD2-CB 3.45Å; L33-H58 HydrophobicContact CD1-CB 4.33Å; N34-H58 PolarHBondContact N-CE1 2.99Å; L54-H58 WeakPolarHBondContact O-CB 3.42Å; L54-H58 PolarHBondContact O-N 3.33Å; V55-H58 WeakPolarHBondContact O-CB 3.45Å; V55-H58 PolarHBondContact O-N 3.16Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 3.41Å; H58-A60 VanDerWaalsContact C-N 3.29Å; H58-A60 PolarHBondContact O-N 3.25Å; H58-G61 CarbonylContact O-C 3.53Å; H58-G61 WeakPolarHBondContact O-CA 3.49Å; H58-G61 PolarHBondContact O-N 3.27Å; H58-G61 VanDerWaalsContact O-N 3.08Å; H58-L62 WeakPolarHBondContact O-CG 3.41Å; H58-L62 PolarHBondContact O-N 3.17Å; H58-L62 VanDerWaalsContact O-N 3.08Å |
| 59 | L | 74 | Confident | 76.6 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 178.4 | -68.9 | 171 | 0 | 0 | 0 | 111.7 | L38 V55 Q56 G61 L62 L82 | L38-L59 HydrophobicContact CD2-CD2 4.16Å; V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 HydrophobicContact CG1-CG 4.04Å; V55-L59 WeakPolarHBondContact O-CB 3.41Å; V55-L59 WeakPolarHBondContact O-CG 3.41Å; V55-L59 PolarHBondContact O-N 3.04Å; Q56-L59 PolarHBondContact O-N 3.43Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.25Å; L59-L62 HydrophobicContact CD2-CD1 3.57Å; L59-L62 WeakPolarHBondContact O-CB 3.21Å; L59-L62 PolarHBondContact O-N 3.12Å; L59-L82 HydrophobicContact CD1-CD2 3.85Å; L59-L82 HydrophobicContact CD2-CD2 3.6Å; L59-L82 HydrophobicContact CG-CD2 4.4Å |
| 60 | A | 73.9 | Confident | 76 | Confident | 42 Ų | 42 | 54 Ų | 54 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q56 L57 H58 D85 | Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.78Å; L57-A60 PolarHBondContact O-N 2.95Å; H58-A60 VanDerWaalsContact C-N 3.29Å; H58-A60 PolarHBondContact O-N 3.25Å; A60-D85 VanDerWaalsContact CA-O 3.24Å; A60-D85 WeakPolarHBondContact CA-O 3.42Å; A60-D85 WeakPolarHBondContact CB-O 3.37Å |
| 61 | G | 73.2 | Confident | 75.4 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 58% | 0.577 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | L57 H58 L59 R63 | L57-G61 PolarHBondContact O-N 3.22Å; L57-G61 VanDerWaalsContact O-N 3.15Å; H58-G61 CarbonylContact O-C 3.53Å; H58-G61 WeakPolarHBondContact O-CA 3.49Å; H58-G61 PolarHBondContact O-N 3.27Å; H58-G61 VanDerWaalsContact O-N 3.08Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.25Å; G61-R63 PolarHBondContact O-N 3.34Å |
| 62 | L | 76 | Confident | 74.9 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | trans | -68.2 | 130 | -178.8 | -77.2 | -179.2 | 0 | 0 | 0 | 111.2 | L38 H58 L59 G88 L89 | L38-L62 HydrophobicContact CD2-CD1 3.9Å; H58-L62 WeakPolarHBondContact O-CG 3.41Å; H58-L62 PolarHBondContact O-N 3.17Å; H58-L62 VanDerWaalsContact O-N 3.08Å; L59-L62 HydrophobicContact CD2-CD1 3.57Å; L59-L62 WeakPolarHBondContact O-CB 3.21Å; L59-L62 PolarHBondContact O-N 3.12Å; L62-G88 CarbonylContact O-C 3.49Å; L62-L89 HydrophobicContact CB-CD2 4.24Å; L62-L89 WeakPolarHBondContact O-CD2 3.34Å | ||
| 63 | R | 83.5 | Confident | 74.5 | Confident | 161 Ų | 161 | 58.6 Ų | 58.6 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -96.3 | -21.8 | 172.7 | -61.6 | -176.6 | -177.4 | -148.5 | -0.1 | 112.5 | G61 Q90 E91 | G61-R63 PolarHBondContact O-N 3.34Å; R63-Q90 HydrophobicContact CB-CG 4.25Å; R63-Q90 CarbonylContact O-C 3.55Å; R63-Q90 WeakPolarHBondContact O-CA 3.43Å; R63-Q90 WeakPolarHBondContact O-CB 3.46Å; R63-Q90 PolarHBondContact O-N 3.15Å; R63-E91 PolarHBondContact O-N 2.64Å |
| 64 | R | 84.5 | Confident | 74.4 | Confident | 161 Ų | 161 | 55.7 Ų | 55.7 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 126.2 | -175.3 | -57.2 | -174.8 | 169.1 | 171 | -13.1 | 109 | E91 | R64-E91 CarbonylContact C-O 3.48Å; R64-E91 WeakPolarHBondContact CA-O 3.5Å; R64-E91 HydrophobicContact CB-CB 4.22Å; R64-E91 VanDerWaalsContact CD-OE2 3.22Å; R64-E91 WeakPolarHBondContact CD-OE2 3.28Å; R64-E91 HydrophobicContact CG-CB 3.92Å; R64-E91 HydrophobicContact CG-CG 4.02Å; R64-E91 IonicContact CZ-OE1 2.74Å; R64-E91 IonicContact CZ-OE2 3.12Å; R64-E91 IonicContact NE-OE1 3.27Å; R64-E91 PolarHBondContact NE-OE1 3.15Å; R64-E91 IonicContact NE-OE2 2.81Å; R64-E91 PolarHBondContact NE-OE2 3.24Å; R64-E91 IonicContact NH2-OE1 3.01Å; R64-E91 PolarHBondContact NH2-OE1 3.48Å; R64-E91 IonicContact NH2-OE2 2.75Å |
| 65 | F | 85.3 | Confident | 74.6 | Confident | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.7 | 173 | -176.9 | -92.4 | 0 | 0 | 0 | 109.2 | L38 A67 V70 I74 L79 L82 L83 L89 E91 L92 A93 L94 | L38-F65 HydrophobicContact CD1-CD2 3.86Å; L38-F65 HydrophobicContact CD1-CE2 3.81Å; F65-A67 HydrophobicContact CE1-CB 4.13Å; F65-V70 HydrophobicContact CE2-CG2 4.33Å; F65-V70 HydrophobicContact CZ-CG2 4.11Å; F65-I74 HydrophobicContact CZ-CD1 4.42Å; F65-L79 HydrophobicContact CE1-CD1 4.06Å; F65-L79 HydrophobicContact CZ-CD1 4.36Å; F65-L82 HydrophobicContact CE2-CB 4.12Å; F65-L82 HydrophobicContact CE2-CD1 3.9Å; F65-L82 HydrophobicContact CE2-CG 4.48Å; F65-L82 HydrophobicContact CZ-CD1 3.99Å; F65-L83 HydrophobicContact CB-CD2 4.36Å; F65-L83 HydrophobicContact CD1-CD2 4.04Å; F65-L83 HydrophobicContact CD2-CD2 4.1Å; F65-L83 HydrophobicContact CE1-CD2 4.34Å; F65-L83 HydrophobicContact CE2-CD2 4.42Å; F65-L83 HydrophobicContact CG-CD2 3.89Å; F65-L89 HydrophobicContact CB-CD1 4.48Å; F65-L89 HydrophobicContact CB-CD2 3.79Å; F65-E91 PolarHBondContact N-O 3.32Å; F65-L92 HydrophobicContact CB-CD1 4.14Å; F65-L92 HydrophobicContact CD1-CD1 3.75Å; F65-L92 HydrophobicContact CG-CD1 4.33Å; F65-L92 CarbonylContact O-C 3.21Å; F65-L92 WeakPolarHBondContact O-CA 3.18Å; F65-A93 PolarHBondContact O-N 3.34Å; F65-L94 HydrophobicContact CD1-CD2 4.06Å; F65-L94 HydrophobicContact CE1-CD2 3.8Å |
| 66 | D | 83.8 | Confident | 74.9 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.4 | 174.2 | -177.3 | -1.8 | 0 | 0 | 0 | 109.6 | A68 Q69 A93 | D66-A68 PolarHBondContact O-N 3.06Å; D66-A68 WeakPolarHBondContact OD1-CB 3.4Å; D66-A68 PolarHBondContact OD1-N 2.84Å; D66-Q69 HydrophobicContact CB-CG 4.01Å; D66-Q69 WeakPolarHBondContact O-CB 3.25Å; D66-Q69 PolarHBondContact O-N 3.32Å; D66-Q69 VanDerWaalsContact O-N 3.11Å; D66-A93 HydrophobicContact CB-CB 4.32Å |
| 67 | A | 80.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -28.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F65 Q69 V70 G71 I74 A93 L94 P96 | F65-A67 HydrophobicContact CE1-CB 4.13Å; A67-Q69 PolarHBondContact O-N 3.39Å; A67-V70 PolarHBondContact O-N 2.74Å; A67-V70 VanDerWaalsContact O-N 3.1Å; A67-G71 PolarHBondContact O-N 2.91Å; A67-I74 HydrophobicContact CB-CD1 3.54Å; A67-A93 VanDerWaalsContact CB-O 3.28Å; A67-A93 WeakPolarHBondContact CB-O 3.47Å; A67-A93 PolarHBondContact N-O 2.91Å; A67-L94 HydrophobicContact CB-CD2 4.16Å; A67-P96 HydrophobicContact CB-CG 3.69Å |
| 68 | A | 73.8 | Confident | 75.2 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -31.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D66 V70 G71 P96 | D66-A68 PolarHBondContact O-N 3.06Å; D66-A68 WeakPolarHBondContact OD1-CB 3.4Å; D66-A68 PolarHBondContact OD1-N 2.84Å; A68-V70 VanDerWaalsContact C-N 3.34Å; A68-G71 PolarHBondContact O-N 2.75Å; A68-P96 HydrophobicContact CB-CG 4.11Å |
| 69 | Q | 69.1 | Low | 75.5 | Confident | 127 Ų | 127 | 59.5 Ų | 59.5 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.5 | -23 | 177.4 | -61.6 | -167.2 | 8.8 | 0 | 0 | 113.4 | D66 A67 G71 | D66-Q69 HydrophobicContact CB-CG 4.01Å; D66-Q69 WeakPolarHBondContact O-CB 3.25Å; D66-Q69 PolarHBondContact O-N 3.32Å; D66-Q69 VanDerWaalsContact O-N 3.11Å; A67-Q69 PolarHBondContact O-N 3.39Å; Q69-G71 VanDerWaalsContact C-N 3.33Å |
| 70 | V | 65.9 | Low | 75.8 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.6 | -32.2 | 171.7 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | L38 R39 L42 F65 A67 A68 I74 | L38-V70 HydrophobicContact CB-CG2 3.76Å; L38-V70 HydrophobicContact CD1-CG2 3.8Å; L38-V70 HydrophobicContact CG-CG2 4.44Å; R39-V70 PolarHBondContact NE-O 2.76Å; R39-V70 PolarHBondContact NH2-O 2.8Å; L42-V70 HydrophobicContact CD1-CG1 4.04Å; F65-V70 HydrophobicContact CE2-CG2 4.33Å; F65-V70 HydrophobicContact CZ-CG2 4.11Å; A67-V70 PolarHBondContact O-N 2.74Å; A67-V70 VanDerWaalsContact O-N 3.1Å; A68-V70 VanDerWaalsContact C-N 3.34Å; V70-I74 HydrophobicContact CB-CD1 3.4Å; V70-I74 VanDerWaalsContact CB-CD1 3.4Å; V70-I74 HydrophobicContact CB-CG1 3.65Å; V70-I74 HydrophobicContact CG1-CD1 3.86Å; V70-I74 HydrophobicContact CG1-CG1 3.74Å; V70-I74 HydrophobicContact CG2-CD1 3.54Å; V70-I74 HydrophobicContact CG2-CG1 4.33Å |
| 71 | G | 62.3 | Low | 76 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | trans | 124.5 | -174.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A67 A68 Q69 Q73 | A67-G71 PolarHBondContact O-N 2.91Å; A68-G71 PolarHBondContact O-N 2.75Å; Q69-G71 VanDerWaalsContact C-N 3.33Å; G71-Q73 VanDerWaalsContact C-N 3.27Å; G71-Q73 PolarHBondContact O-N 2.91Å; G71-Q73 VanDerWaalsContact O-N 3.13Å | ||
| 72 | P | 62.3 | Low | 76.2 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 74% | 0.74 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -67.4 | -22.2 | -161 | 24.1 | -34.6 | 0 | 0 | 0 | 114.9 | ||
| 73 | Q | 65.9 | Low | 76.5 | Confident | 157 Ų | 157 | 62.1 Ų | 62.1 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | trans | -140.3 | 105.5 | 176.2 | -70.6 | -179.8 | 7.7 | 0 | 0 | 109.6 | G71 | G71-Q73 VanDerWaalsContact C-N 3.27Å; G71-Q73 PolarHBondContact O-N 2.91Å; G71-Q73 VanDerWaalsContact O-N 3.13Å | ||
| 74 | I | 74.8 | Confident | 76.2 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | trans | -90.9 | 126.5 | 164.6 | -53.5 | 178.8 | 0 | 0 | 0 | 106.9 | F65 A67 V70 A78 L79 W100 | F65-I74 HydrophobicContact CZ-CD1 4.42Å; A67-I74 HydrophobicContact CB-CD1 3.54Å; V70-I74 HydrophobicContact CB-CD1 3.4Å; V70-I74 VanDerWaalsContact CB-CD1 3.4Å; V70-I74 HydrophobicContact CB-CG1 3.65Å; V70-I74 HydrophobicContact CG1-CD1 3.86Å; V70-I74 HydrophobicContact CG1-CG1 3.74Å; V70-I74 HydrophobicContact CG2-CD1 3.54Å; V70-I74 HydrophobicContact CG2-CG1 4.33Å; I74-A78 HydrophobicContact CG2-CB 4Å; I74-L79 HydrophobicContact CG2-CB 4.18Å; I74-W100 VanDerWaalsContact O-CE2 3.24Å; I74-W100 WeakPolarHBondContact O-CZ2 3.23Å; I74-W100 PolarHBondContact O-NE1 2.74Å | ||
| 75 | P | 78.6 | Confident | 75.9 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | trans | -72.4 | 144.8 | 172 | 26.3 | -29.8 | 0 | 0 | 0 | 110.8 | A77 A78 L79 | P75-A77 VanDerWaalsContact C-N 3.26Å; P75-A77 PolarHBondContact O-N 2.83Å; P75-A77 VanDerWaalsContact O-N 3.12Å; P75-A78 HydrophobicContact CG-CB 3.79Å; P75-A78 WeakPolarHBondContact O-CA 3.45Å; P75-A78 WeakPolarHBondContact O-CB 3.48Å; P75-A78 PolarHBondContact O-N 3.34Å; P75-L79 PolarHBondContact O-N 3.45Å | ||
| 76 | R | 81.5 | Confident | 75.5 | Confident | 97 Ų | 97 | 56 Ų | 56 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -45.6 | -46.3 | -179.8 | -176.8 | 170 | 176 | 162.2 | 2.6 | 114.1 | A78 L79 A80 W100 E104 D105 | R76-A78 VanDerWaalsContact C-N 3.29Å; R76-A78 PolarHBondContact O-N 2.91Å; R76-L79 PolarHBondContact O-N 3.11Å; R76-A80 WeakPolarHBondContact O-CB 3.37Å; R76-A80 PolarHBondContact O-N 3.28Å; R76-W100 HydrophobicContact CB-CD2 4.11Å; R76-W100 HydrophobicContact CB-CE3 3.56Å; R76-W100 HydrophobicContact CB-CH2 4.2Å; R76-W100 HydrophobicContact CB-CZ3 3.63Å; R76-W100 HydrophobicContact CG-CE3 3.75Å; R76-W100 HydrophobicContact CG-CZ3 3.65Å; R76-E104 IonicContact NH2-OE2 2.74Å; R76-E104 PolarHBondContact NH2-OE2 3.23Å; R76-D105 VanDerWaalsContact CD-OD2 3.32Å; R76-D105 WeakPolarHBondContact CD-OD2 3.32Å; R76-D105 VanDerWaalsContact CZ-CG 3.44Å; R76-D105 IonicContact CZ-OD1 3.13Å; R76-D105 IonicContact CZ-OD2 3.06Å; R76-D105 IonicContact NE-OD1 2.75Å; R76-D105 PolarHBondContact NE-OD1 2.9Å; R76-D105 IonicContact NE-OD2 2.81Å; R76-D105 PolarHBondContact NE-OD2 2.77Å; R76-D105 IonicContact NH1-OD2 3.71Å; R76-D105 IonicContact NH2-OD1 3.98Å; R76-D105 PolarHBondContact NH2-OD1 2.83Å; R76-D105 IonicContact NH2-OD2 3.94Å; R76-D105 PolarHBondContact NH2-OD2 2.82Å |
| 77 | A | 78.3 | Confident | 75.4 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.7 | -31.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P75 R81 | P75-A77 VanDerWaalsContact C-N 3.26Å; P75-A77 PolarHBondContact O-N 2.83Å; P75-A77 VanDerWaalsContact O-N 3.12Å; A77-R81 WeakPolarHBondContact O-CB 3.46Å; A77-R81 WeakPolarHBondContact O-CD 2.98Å; A77-R81 WeakPolarHBondContact O-CG 3.33Å; A77-R81 PolarHBondContact O-N 3.48Å |
| 78 | A | 77.5 | Confident | 75.5 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I74 P75 R76 R81 L82 | I74-A78 HydrophobicContact CG2-CB 4Å; P75-A78 HydrophobicContact CG-CB 3.79Å; P75-A78 WeakPolarHBondContact O-CA 3.45Å; P75-A78 WeakPolarHBondContact O-CB 3.48Å; P75-A78 PolarHBondContact O-N 3.34Å; R76-A78 VanDerWaalsContact C-N 3.29Å; R76-A78 PolarHBondContact O-N 2.91Å; A78-R81 PolarHBondContact O-N 2.95Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 VanDerWaalsContact O-CG 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.29Å; A78-L82 PolarHBondContact O-N 3.43Å |
| 79 | L | 80.8 | Confident | 76.2 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 175.2 | -171.5 | 111.4 | 0 | 0 | 0 | 111.3 | F65 I74 P75 R76 R81 L82 L83 L94 W100 L101 | F65-L79 HydrophobicContact CE1-CD1 4.06Å; F65-L79 HydrophobicContact CZ-CD1 4.36Å; I74-L79 HydrophobicContact CG2-CB 4.18Å; P75-L79 PolarHBondContact O-N 3.45Å; R76-L79 PolarHBondContact O-N 3.11Å; L79-R81 PolarHBondContact O-N 3.37Å; L79-L82 PolarHBondContact O-N 3.11Å; L79-L82 VanDerWaalsContact O-N 3.07Å; L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD2-CD1 3.69Å; L79-L83 HydrophobicContact CG-CD1 3.64Å; L79-L83 HydrophobicContact CG-CG 4.34Å; L79-L83 PolarHBondContact O-N 3.17Å; L79-L94 HydrophobicContact CD1-CD2 3.59Å; L79-W100 HydrophobicContact CB-CH2 3.63Å; L79-W100 HydrophobicContact CB-CZ2 4.4Å; L79-W100 HydrophobicContact CD1-CH2 4.13Å; L79-W100 HydrophobicContact CD2-CH2 3.87Å; L79-W100 HydrophobicContact CD2-CZ3 4.28Å; L79-W100 HydrophobicContact CG-CH2 4.06Å; L79-L101 HydrophobicContact CD2-CD1 4.22Å |
| 80 | A | 80.7 | Confident | 77.2 | Confident | 38 Ų | 38 | 54 Ų | 54 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.8 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R76 R84 | R76-A80 WeakPolarHBondContact O-CB 3.37Å; R76-A80 PolarHBondContact O-N 3.28Å; A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.08Å |
| 81 | R | 77.9 | Confident | 78.4 | Confident | 127 Ų | 127 | 56 Ų | 56 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.6 | -37 | 176 | -74.8 | 170.6 | 62.2 | 153.9 | 0.5 | 113.2 | A77 A78 L79 | A77-R81 WeakPolarHBondContact O-CB 3.46Å; A77-R81 WeakPolarHBondContact O-CD 2.98Å; A77-R81 WeakPolarHBondContact O-CG 3.33Å; A77-R81 PolarHBondContact O-N 3.48Å; A78-R81 PolarHBondContact O-N 2.95Å; L79-R81 PolarHBondContact O-N 3.37Å |
| 82 | L | 77.1 | Confident | 79.7 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 179.5 | -75 | 165.4 | 0 | 0 | 0 | 111.5 | L42 L59 F65 A78 L79 | L42-L82 HydrophobicContact CD1-CD1 3.92Å; L42-L82 HydrophobicContact CD1-CD2 4.41Å; L42-L82 HydrophobicContact CD2-CD1 4.22Å; L42-L82 HydrophobicContact CD2-CD2 3.57Å; L42-L82 HydrophobicContact CD2-CG 3.89Å; L42-L82 HydrophobicContact CG-CD1 4.37Å; L42-L82 HydrophobicContact CG-CD2 3.95Å; L42-L82 HydrophobicContact CG-CG 4.45Å; L59-L82 HydrophobicContact CD1-CD2 3.85Å; L59-L82 HydrophobicContact CD2-CD2 3.6Å; L59-L82 HydrophobicContact CG-CD2 4.4Å; F65-L82 HydrophobicContact CE2-CB 4.12Å; F65-L82 HydrophobicContact CE2-CD1 3.9Å; F65-L82 HydrophobicContact CE2-CG 4.48Å; F65-L82 HydrophobicContact CZ-CD1 3.99Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 VanDerWaalsContact O-CG 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.29Å; A78-L82 PolarHBondContact O-N 3.43Å; L79-L82 PolarHBondContact O-N 3.11Å; L79-L82 VanDerWaalsContact O-N 3.07Å |
| 83 | L | 81.4 | Confident | 81 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -89.1 | -12 | -176.2 | -56.6 | 175.1 | 0 | 0 | 0 | 112.7 | F65 L79 D85 A86 L89 L92 V109 R112 | F65-L83 HydrophobicContact CB-CD2 4.36Å; F65-L83 HydrophobicContact CD1-CD2 4.04Å; F65-L83 HydrophobicContact CD2-CD2 4.1Å; F65-L83 HydrophobicContact CE1-CD2 4.34Å; F65-L83 HydrophobicContact CE2-CD2 4.42Å; F65-L83 HydrophobicContact CG-CD2 3.89Å; L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD2-CD1 3.69Å; L79-L83 HydrophobicContact CG-CD1 3.64Å; L79-L83 HydrophobicContact CG-CG 4.34Å; L79-L83 PolarHBondContact O-N 3.17Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-D85 PolarHBondContact O-N 3.37Å; L83-A86 PolarHBondContact O-N 3.29Å; L83-L89 HydrophobicContact CD2-CD1 3.73Å; L83-L92 HydrophobicContact CD1-CD1 4.41Å; L83-L92 HydrophobicContact CD2-CD1 4.3Å; L83-V109 HydrophobicContact CB-CG1 4.17Å; L83-V109 HydrophobicContact CB-CG2 3.63Å; L83-V109 HydrophobicContact CD1-CG1 4.06Å; L83-V109 HydrophobicContact CD1-CG2 3.8Å; L83-V109 HydrophobicContact CG-CG1 4.48Å; L83-V109 HydrophobicContact CG-CG2 4.34Å; L83-R112 PolarHBondContact O-NH1 2.84Å |
| 84 | R | 79.1 | Confident | 82 | Confident | 154 Ų | 154 | 43.6 Ų | 43.6 | 58% | 0.581 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.6 | -34.3 | 175.8 | 178.1 | -170.9 | -55.9 | -95.7 | -3.8 | 113.3 | A80 R112 | A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.08Å; R84-R112 VanDerWaalsContact C-NH1 3.26Å; R84-R112 PolarHBondContact O-NH1 3.13Å; R84-R112 PolarHBondContact O-NH2 3.26Å |
| 85 | D | 76.7 | Confident | 82.1 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -105.2 | -2.6 | -176.6 | -60.8 | -28.2 | 0 | 0 | 0 | 111.6 | Q56 A60 L83 E87 | Q56-D85 PolarHBondContact NE2-OD2 2.9Å; A60-D85 VanDerWaalsContact CA-O 3.24Å; A60-D85 WeakPolarHBondContact CA-O 3.42Å; A60-D85 WeakPolarHBondContact CB-O 3.37Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-D85 PolarHBondContact O-N 3.37Å; D85-E87 PolarHBondContact O-N 3.06Å |
| 86 | A | 78.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | trans | -79.6 | 113.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L83 L89 R112 N113 | L83-A86 PolarHBondContact O-N 3.29Å; A86-L89 HydrophobicContact CB-CD1 3.59Å; A86-L89 HydrophobicContact CB-CG 3.94Å; A86-R112 PolarHBondContact O-NH1 3.26Å; A86-N113 PolarHBondContact O-ND2 2.74Å | ||
| 87 | E | 80.6 | Confident | 81.6 | Confident | 125 Ų | 125 | 38.7 Ų | 38.7 | 58% | 0.584 | 21% | 0.214 | S | C | * | . | trans | -116.7 | -13.4 | -179.6 | -64.7 | -172.6 | 169.2 | 0 | 0 | 112.9 | D85 R112 N113 | D85-E87 PolarHBondContact O-N 3.06Å; E87-R112 VanDerWaalsContact CG-NH2 3.33Å; E87-R112 IonicContact OE1-CZ 3.23Å; E87-R112 IonicContact OE1-NE 3.4Å; E87-R112 IonicContact OE1-NH2 2.87Å; E87-R112 PolarHBondContact OE1-NH2 3.31Å; E87-N113 WeakPolarHBondContact CA-ND2 3.23Å; E87-N113 PolarHBondContact O-ND2 2.74Å | ||
| 88 | G | 83.8 | Confident | 81.5 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | trans | -112.2 | 18.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L62 Q90 | L62-G88 CarbonylContact O-C 3.49Å; G88-Q90 PolarHBondContact O-N 2.91Å | ||
| 89 | L | 86.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -65.4 | 133.8 | -175.3 | -74.4 | 168.1 | 0 | 0 | 0 | 112 | L62 F65 L83 A86 N113 Q115 L116 | L62-L89 HydrophobicContact CB-CD2 4.24Å; L62-L89 WeakPolarHBondContact O-CD2 3.34Å; F65-L89 HydrophobicContact CB-CD1 4.48Å; F65-L89 HydrophobicContact CB-CD2 3.79Å; L83-L89 HydrophobicContact CD2-CD1 3.73Å; A86-L89 HydrophobicContact CB-CD1 3.59Å; A86-L89 HydrophobicContact CB-CG 3.94Å; L89-N113 HydrophobicContact CB-CB 4.21Å; L89-Q115 CarbonylContact O-C 3.55Å; L89-L116 HydrophobicContact CB-CD2 3.95Å; L89-L116 WeakPolarHBondContact O-CA 3.28Å; L89-L116 PolarHBondContact O-N 2.9Å | ||
| 90 | Q | 90.8 | Very high | 81.8 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -112.5 | -32.3 | 175.9 | -59 | -176.6 | 4.4 | 0 | 0 | 111.2 | R63 G88 R117 S118 | R63-Q90 HydrophobicContact CB-CG 4.25Å; R63-Q90 CarbonylContact O-C 3.55Å; R63-Q90 WeakPolarHBondContact O-CA 3.43Å; R63-Q90 WeakPolarHBondContact O-CB 3.46Å; R63-Q90 PolarHBondContact O-N 3.15Å; G88-Q90 PolarHBondContact O-N 2.91Å; Q90-R117 WeakPolarHBondContact O-CA 3.46Å; Q90-R117 PolarHBondContact O-N 3.44Å; Q90-S118 PolarHBondContact O-N 3.35Å |
| 91 | E | 90.6 | Very high | 82.1 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.2 | 178.5 | -53.8 | 177.1 | -163.6 | 0 | 0 | 109.9 | R63 R64 F65 S118 R144 | R63-E91 PolarHBondContact O-N 2.64Å; R64-E91 CarbonylContact C-O 3.48Å; R64-E91 WeakPolarHBondContact CA-O 3.5Å; R64-E91 HydrophobicContact CB-CB 4.22Å; R64-E91 VanDerWaalsContact CD-OE2 3.22Å; R64-E91 WeakPolarHBondContact CD-OE2 3.28Å; R64-E91 HydrophobicContact CG-CB 3.92Å; R64-E91 HydrophobicContact CG-CG 4.02Å; R64-E91 IonicContact CZ-OE1 2.74Å; R64-E91 IonicContact CZ-OE2 3.12Å; R64-E91 IonicContact NE-OE1 3.27Å; R64-E91 PolarHBondContact NE-OE1 3.15Å; R64-E91 IonicContact NE-OE2 2.81Å; R64-E91 PolarHBondContact NE-OE2 3.24Å; R64-E91 IonicContact NH2-OE1 3.01Å; R64-E91 PolarHBondContact NH2-OE1 3.48Å; R64-E91 IonicContact NH2-OE2 2.75Å; F65-E91 PolarHBondContact N-O 3.32Å; E91-S118 CarbonylContact C-O 3.53Å; E91-S118 VanDerWaalsContact CA-O 3.29Å; E91-S118 WeakPolarHBondContact CA-O 3.41Å; E91-R144 IonicContact OE1-NH2 2.82Å |
| 92 | L | 90.5 | Very high | 82.7 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 113.3 | -177.8 | 177.9 | 64.6 | 0 | 0 | 0 | 109.5 | F65 L83 L94 L106 V109 L110 L116 S118 V119 A120 | F65-L92 HydrophobicContact CB-CD1 4.14Å; F65-L92 HydrophobicContact CD1-CD1 3.75Å; F65-L92 HydrophobicContact CG-CD1 4.33Å; F65-L92 CarbonylContact O-C 3.21Å; F65-L92 WeakPolarHBondContact O-CA 3.18Å; L83-L92 HydrophobicContact CD1-CD1 4.41Å; L83-L92 HydrophobicContact CD2-CD1 4.3Å; L92-L94 HydrophobicContact CD1-CD1 4.17Å; L92-L94 HydrophobicContact CD1-CD2 3.89Å; L92-L94 HydrophobicContact CD1-CG 3.91Å; L92-L94 HydrophobicContact CD2-CD1 4.1Å; L92-L94 HydrophobicContact CG-CD1 4.14Å; L92-L94 HydrophobicContact CG-CG 4Å; L92-L106 HydrophobicContact CD2-CD1 4.18Å; L92-V109 HydrophobicContact CD2-CG1 4.12Å; L92-L110 HydrophobicContact CD2-CD2 4.4Å; L92-L116 HydrophobicContact CB-CD2 3.8Å; L92-S118 PolarHBondContact N-O 3.23Å; L92-V119 HydrophobicContact CB-CG2 4.48Å; L92-V119 CarbonylContact O-C 3.5Å; L92-V119 VanDerWaalsContact O-CA 3.32Å; L92-V119 WeakPolarHBondContact O-CA 3.12Å; L92-A120 PolarHBondContact O-N 3.01Å |
| 93 | A | 89.3 | Confident | 83.2 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | F65 D66 A67 A120 | F65-A93 PolarHBondContact O-N 3.34Å; D66-A93 HydrophobicContact CB-CB 4.32Å; A67-A93 VanDerWaalsContact CB-O 3.28Å; A67-A93 WeakPolarHBondContact CB-O 3.47Å; A67-A93 PolarHBondContact N-O 2.91Å; A93-A120 HydrophobicContact CB-CB 4.12Å |
| 94 | L | 86.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | trans | -123.8 | 11.1 | -176.4 | -60 | 179.8 | 0 | 0 | 0 | 113.4 | F65 A67 L79 L92 P96 C97 L101 L106 A120 L121 | F65-L94 HydrophobicContact CD1-CD2 4.06Å; F65-L94 HydrophobicContact CE1-CD2 3.8Å; A67-L94 HydrophobicContact CB-CD2 4.16Å; L79-L94 HydrophobicContact CD1-CD2 3.59Å; L92-L94 HydrophobicContact CD1-CD1 4.17Å; L92-L94 HydrophobicContact CD1-CD2 3.89Å; L92-L94 HydrophobicContact CD1-CG 3.91Å; L92-L94 HydrophobicContact CD2-CD1 4.1Å; L92-L94 HydrophobicContact CG-CD1 4.14Å; L92-L94 HydrophobicContact CG-CG 4Å; L94-P96 VanDerWaalsContact C-N 3.33Å; L94-P96 VanDerWaalsContact O-N 3.16Å; L94-C97 WeakPolarHBondContact O-CB 3.16Å; L94-C97 PolarHBondContact O-N 3.31Å; L94-L101 HydrophobicContact CB-CD2 3.92Å; L94-L101 HydrophobicContact CD1-CD1 4.21Å; L94-L101 HydrophobicContact CD1-CD2 3.86Å; L94-L106 HydrophobicContact CD1-CD1 3.77Å; L94-A120 PolarHBondContact N-O 2.8Å; L94-L121 HydrophobicContact CB-CD2 4.18Å; L94-L121 HydrophobicContact CD1-CD2 4.11Å | ||
| 95 | A | 78.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -47.4 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C97 H98 G122 | A95-C97 PolarHBondContact O-N 3.14Å; A95-H98 WeakPolarHBondContact O-CB 3.46Å; A95-H98 PolarHBondContact O-N 3.28Å; A95-H98 PolarHBondContact O-ND1 3.21Å; A95-G122 WeakPolarHBondContact CA-O 3.26Å |
| 96 | P | 72.7 | Confident | 84.5 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -75 | -5.8 | 177.9 | 24.6 | -27.5 | 0 | 0 | 0 | 114.4 | A67 A68 L94 | A67-P96 HydrophobicContact CB-CG 3.69Å; A68-P96 HydrophobicContact CB-CG 4.11Å; L94-P96 VanDerWaalsContact C-N 3.33Å; L94-P96 VanDerWaalsContact O-N 3.16Å |
| 97 | C | 76.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -95.2 | 11.4 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | L94 A95 E99 W100 L101 | L94-C97 WeakPolarHBondContact O-CB 3.16Å; L94-C97 PolarHBondContact O-N 3.31Å; A95-C97 PolarHBondContact O-N 3.14Å; C97-E99 PolarHBondContact O-N 3.34Å; C97-E99 VanDerWaalsContact O-N 3.11Å; C97-W100 HydrophobicContact CB-CH2 4.19Å; C97-W100 HydrophobicContact CB-CZ2 3.7Å; C97-W100 PolarHBondContact O-N 3.05Å; C97-L101 HydrophobicContact CB-CB 4.34Å; C97-L101 VanDerWaalsContact O-CB 3.22Å; C97-L101 WeakPolarHBondContact O-CB 3.32Å; C97-L101 PolarHBondContact O-N 3.39Å; C97-L101 VanDerWaalsContact O-N 3.09Å |
| 98 | H | 76.8 | Confident | 85.5 | Confident | 78 Ų | 78 | 40.8 Ų | 40.8 | 36% | 0.361 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.2 | -169.8 | 61.7 | -88.6 | 0 | 0 | 0 | 116.2 | A95 G123 C124 | A95-H98 WeakPolarHBondContact O-CB 3.46Å; A95-H98 PolarHBondContact O-N 3.28Å; A95-H98 PolarHBondContact O-ND1 3.21Å; H98-G123 VanDerWaalsContact CB-C 3.42Å; H98-G123 VanDerWaalsContact CB-O 3.29Å; H98-G123 WeakPolarHBondContact CB-O 3.24Å; H98-C124 HydrophobicContact CB-CB 4.47Å |
| 99 | E | 79.2 | Confident | 85.7 | Confident | 150 Ų | 150 | 40 Ų | 40 | 70% | 0.701 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -32 | -177.5 | -68.9 | -168.7 | 156.7 | 0 | 0 | 113.9 | C97 | C97-E99 PolarHBondContact O-N 3.34Å; C97-E99 VanDerWaalsContact O-N 3.11Å |
| 100 | W | 84.9 | Confident | 85.9 | Confident | 66 Ų | 66 | 39.9 Ų | 39.9 | 25% | 0.25 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -10.4 | -172.9 | 61.2 | -100.3 | 0 | 0 | 0 | 114.5 | I74 R76 L79 C97 S102 | I74-W100 VanDerWaalsContact O-CE2 3.24Å; I74-W100 WeakPolarHBondContact O-CZ2 3.23Å; I74-W100 PolarHBondContact O-NE1 2.74Å; R76-W100 HydrophobicContact CB-CD2 4.11Å; R76-W100 HydrophobicContact CB-CE3 3.56Å; R76-W100 HydrophobicContact CB-CH2 4.2Å; R76-W100 HydrophobicContact CB-CZ3 3.63Å; R76-W100 HydrophobicContact CG-CE3 3.75Å; R76-W100 HydrophobicContact CG-CZ3 3.65Å; L79-W100 HydrophobicContact CB-CH2 3.63Å; L79-W100 HydrophobicContact CB-CZ2 4.4Å; L79-W100 HydrophobicContact CD1-CH2 4.13Å; L79-W100 HydrophobicContact CD2-CH2 3.87Å; L79-W100 HydrophobicContact CD2-CZ3 4.28Å; L79-W100 HydrophobicContact CG-CH2 4.06Å; C97-W100 HydrophobicContact CB-CH2 4.19Å; C97-W100 HydrophobicContact CB-CZ2 3.7Å; C97-W100 PolarHBondContact O-N 3.05Å; W100-S102 PolarHBondContact O-N 2.86Å |
| 101 | L | 86.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -67.5 | 115 | -176.7 | -176.4 | 71.9 | 0 | 0 | 0 | 111.3 | L79 L94 C97 D105 L121 Q126 L127 | L79-L101 HydrophobicContact CD2-CD1 4.22Å; L94-L101 HydrophobicContact CB-CD2 3.92Å; L94-L101 HydrophobicContact CD1-CD1 4.21Å; L94-L101 HydrophobicContact CD1-CD2 3.86Å; C97-L101 HydrophobicContact CB-CB 4.34Å; C97-L101 VanDerWaalsContact O-CB 3.22Å; C97-L101 WeakPolarHBondContact O-CB 3.32Å; C97-L101 PolarHBondContact O-N 3.39Å; C97-L101 VanDerWaalsContact O-N 3.09Å; L101-D105 HydrophobicContact CD1-CB 4.09Å; L101-L121 HydrophobicContact CD2-CD2 4.2Å; L101-Q126 WeakPolarHBondContact O-CB 3.39Å; L101-L127 HydrophobicContact CD2-CD1 4.31Å; L101-L127 HydrophobicContact CG-CD2 4.31Å | ||
| 102 | S | 89.2 | Confident | 85.6 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | trans | -111.2 | 168.2 | 177 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | W100 E104 D105 L106 | W100-S102 PolarHBondContact O-N 2.86Å; S102-E104 PolarHBondContact O-N 2.65Å; S102-D105 PolarHBondContact O-N 3.21Å; S102-D105 VanDerWaalsContact O-N 3.11Å; S102-L106 PolarHBondContact O-N 2.87Å | ||
| 103 | D | 88.9 | Confident | 85.5 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.4 | -34.1 | 177.3 | -61.6 | -66 | 0 | 0 | 0 | 112.2 | D105 L106 V107 S128 R130 A131 | D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.38Å; D103-L106 PolarHBondContact O-N 3.32Å; D103-V107 HydrophobicContact CB-CG2 4.22Å; D103-V107 VanDerWaalsContact O-CB 3.23Å; D103-V107 WeakPolarHBondContact O-CB 3.47Å; D103-V107 WeakPolarHBondContact O-CG2 3.39Å; D103-V107 PolarHBondContact O-N 3.04Å; D103-S128 VanDerWaalsContact CG-OG 3.31Å; D103-S128 PolarHBondContact OD1-N 3.28Å; D103-S128 VanDerWaalsContact OD1-N 3.13Å; D103-S128 PolarHBondContact OD1-OG 3.29Å; D103-S128 VanDerWaalsContact OD2-CB 3.31Å; D103-S128 WeakPolarHBondContact OD2-CB 3.47Å; D103-S128 PolarHBondContact OD2-N 2.94Å; D103-S128 PolarHBondContact OD2-OG 2.87Å; D103-R130 HydrophobicContact CB-CB 4.32Å; D103-A131 VanDerWaalsContact OD1-CB 3.29Å; D103-A131 WeakPolarHBondContact OD1-CB 3.42Å; D103-A131 PolarHBondContact OD1-N 2.89Å |
| 104 | E | 87.6 | Confident | 85.5 | Confident | 145 Ų | 145 | 44.3 Ų | 44.3 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.8 | -30.9 | -179.4 | -64.4 | -176.9 | 159.5 | 0 | 0 | 113.4 | R76 S102 P108 | R76-E104 IonicContact NH2-OE2 2.74Å; R76-E104 PolarHBondContact NH2-OE2 3.23Å; S102-E104 PolarHBondContact O-N 2.65Å; E104-P108 WeakPolarHBondContact O-CD 3.45Å; E104-P108 VanDerWaalsContact O-CG 3.24Å; E104-P108 WeakPolarHBondContact O-CG 3.39Å |
| 105 | D | 87.3 | Confident | 85.7 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -83.7 | -33.2 | 178.7 | -61.7 | -40.4 | 0 | 0 | 0 | 111.4 | R76 L101 S102 D103 V109 | R76-D105 VanDerWaalsContact CD-OD2 3.32Å; R76-D105 WeakPolarHBondContact CD-OD2 3.32Å; R76-D105 VanDerWaalsContact CZ-CG 3.44Å; R76-D105 IonicContact CZ-OD1 3.13Å; R76-D105 IonicContact CZ-OD2 3.06Å; R76-D105 IonicContact NE-OD1 2.75Å; R76-D105 PolarHBondContact NE-OD1 2.9Å; R76-D105 IonicContact NE-OD2 2.81Å; R76-D105 PolarHBondContact NE-OD2 2.77Å; R76-D105 IonicContact NH1-OD2 3.71Å; R76-D105 IonicContact NH2-OD1 3.98Å; R76-D105 PolarHBondContact NH2-OD1 2.83Å; R76-D105 IonicContact NH2-OD2 3.94Å; R76-D105 PolarHBondContact NH2-OD2 2.82Å; L101-D105 HydrophobicContact CD1-CB 4.09Å; S102-D105 PolarHBondContact O-N 3.21Å; S102-D105 VanDerWaalsContact O-N 3.11Å; D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.38Å; D105-V109 WeakPolarHBondContact O-CG2 3.32Å |
| 106 | L | 88.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -86.8 | -44.9 | -173.5 | -176.3 | 62.4 | 0 | 0 | 0 | 112.6 | L92 L94 S102 D103 V109 L110 L121 L127 A131 | L92-L106 HydrophobicContact CD2-CD1 4.18Å; L94-L106 HydrophobicContact CD1-CD1 3.77Å; S102-L106 PolarHBondContact O-N 2.87Å; D103-L106 PolarHBondContact O-N 3.32Å; L106-V109 WeakPolarHBondContact O-CB 3.27Å; L106-V109 PolarHBondContact O-N 2.83Å; L106-L110 HydrophobicContact CD1-CD1 4.29Å; L106-L110 HydrophobicContact CD1-CD2 4.12Å; L106-L110 HydrophobicContact CD1-CG 4.03Å; L106-L110 HydrophobicContact CD2-CD1 4.18Å; L106-L110 HydrophobicContact CG-CD1 3.76Å; L106-L110 HydrophobicContact CG-CD2 4.5Å; L106-L110 HydrophobicContact CG-CG 3.96Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.07Å; L106-L121 HydrophobicContact CD1-CD2 4.1Å; L106-L121 HydrophobicContact CD2-CD1 3.7Å; L106-L121 HydrophobicContact CD2-CD2 3.8Å; L106-L121 HydrophobicContact CD2-CG 4.41Å; L106-L127 HydrophobicContact CB-CD2 4.41Å; L106-L127 HydrophobicContact CD2-CD1 3.89Å; L106-L127 HydrophobicContact CD2-CD2 3.96Å; L106-A131 HydrophobicContact CD2-CB 3.95Å |
| 107 | V | 90.6 | Very high | 87.3 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.6 | -45.7 | -175.7 | 170.3 | 0 | 0 | 0 | 0 | 112.6 | D103 V109 L110 A111 A134 | D103-V107 HydrophobicContact CB-CG2 4.22Å; D103-V107 VanDerWaalsContact O-CB 3.23Å; D103-V107 WeakPolarHBondContact O-CB 3.47Å; D103-V107 WeakPolarHBondContact O-CG2 3.39Å; D103-V107 PolarHBondContact O-N 3.04Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 2.89Å; V107-L110 PolarHBondContact O-N 2.9Å; V107-A111 WeakPolarHBondContact O-CB 3.49Å; V107-A111 PolarHBondContact O-N 3.2Å; V107-A134 HydrophobicContact CB-CB 4.24Å; V107-A134 HydrophobicContact CG1-CB 4Å; V107-A134 HydrophobicContact CG2-CB 3.76Å |
| 108 | P | 89.3 | Confident | 88.2 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.8 | -32.1 | 177.6 | -21.8 | 34.2 | 0 | 0 | 0 | 113.3 | E104 R112 | E104-P108 WeakPolarHBondContact O-CD 3.45Å; E104-P108 VanDerWaalsContact O-CG 3.24Å; E104-P108 WeakPolarHBondContact O-CG 3.39Å; P108-R112 VanDerWaalsContact O-CG 3.27Å; P108-R112 WeakPolarHBondContact O-CG 3.13Å; P108-R112 PolarHBondContact O-N 3.18Å |
| 109 | V | 88.8 | Confident | 88.9 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70 | -48.7 | 178.4 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | L83 L92 D105 L106 V107 A111 R112 N113 | L83-V109 HydrophobicContact CB-CG1 4.17Å; L83-V109 HydrophobicContact CB-CG2 3.63Å; L83-V109 HydrophobicContact CD1-CG1 4.06Å; L83-V109 HydrophobicContact CD1-CG2 3.8Å; L83-V109 HydrophobicContact CG-CG1 4.48Å; L83-V109 HydrophobicContact CG-CG2 4.34Å; L92-V109 HydrophobicContact CD2-CG1 4.12Å; D105-V109 WeakPolarHBondContact O-CG2 3.32Å; L106-V109 WeakPolarHBondContact O-CB 3.27Å; L106-V109 PolarHBondContact O-N 2.83Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 2.89Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.87Å; V109-R112 PolarHBondContact O-N 2.89Å; V109-R112 VanDerWaalsContact O-N 3.14Å; V109-N113 WeakPolarHBondContact CG1-OD1 3.46Å; V109-N113 PolarHBondContact O-N 3.1Å; V109-N113 PolarHBondContact O-OD1 2.93Å; V109-N113 VanDerWaalsContact O-OD1 3.05Å |
| 110 | L | 89.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 178.8 | -61.7 | 177.8 | 0 | 0 | 0 | 112.2 | L92 L106 V107 R112 N113 L116 A134 L135 | L92-L110 HydrophobicContact CD2-CD2 4.4Å; L106-L110 HydrophobicContact CD1-CD1 4.29Å; L106-L110 HydrophobicContact CD1-CD2 4.12Å; L106-L110 HydrophobicContact CD1-CG 4.03Å; L106-L110 HydrophobicContact CD2-CD1 4.18Å; L106-L110 HydrophobicContact CG-CD1 3.76Å; L106-L110 HydrophobicContact CG-CD2 4.5Å; L106-L110 HydrophobicContact CG-CG 3.96Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.07Å; V107-L110 PolarHBondContact O-N 2.9Å; L110-R112 PolarHBondContact O-N 3.23Å; L110-N113 PolarHBondContact O-N 2.71Å; L110-L116 HydrophobicContact CD2-CD1 3.76Å; L110-A134 HydrophobicContact CD1-CB 4.05Å; L110-L135 HydrophobicContact CD1-CB 4.46Å; L110-L135 HydrophobicContact CD1-CD2 3.76Å; L110-L135 HydrophobicContact CD1-CG 3.61Å; L110-L135 HydrophobicContact CD2-CD2 3.49Å; L110-L135 VanDerWaalsContact CD2-CD2 3.49Å; L110-L135 HydrophobicContact CD2-CG 4.32Å; L110-L135 HydrophobicContact CG-CD2 4.19Å |
| 111 | A | 88.5 | Confident | 89.7 | Confident | 68 Ų | 68 | 36.7 Ų | 36.7 | 56% | 0.562 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.3 | -28.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V107 V109 | V107-A111 WeakPolarHBondContact O-CB 3.49Å; V107-A111 PolarHBondContact O-N 3.2Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.87Å |
| 112 | R | 88.1 | Confident | 89.7 | Confident | 83 Ų | 83 | 37.4 Ų | 37.4 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -90.4 | -10.4 | -179.4 | -70 | -177.8 | 69.2 | -124.3 | 13.4 | 113.7 | L83 R84 A86 E87 P108 V109 L110 P114 | L83-R112 PolarHBondContact O-NH1 2.84Å; R84-R112 VanDerWaalsContact C-NH1 3.26Å; R84-R112 PolarHBondContact O-NH1 3.13Å; R84-R112 PolarHBondContact O-NH2 3.26Å; A86-R112 PolarHBondContact O-NH1 3.26Å; E87-R112 VanDerWaalsContact CG-NH2 3.33Å; E87-R112 IonicContact OE1-CZ 3.23Å; E87-R112 IonicContact OE1-NE 3.4Å; E87-R112 IonicContact OE1-NH2 2.87Å; E87-R112 PolarHBondContact OE1-NH2 3.31Å; P108-R112 VanDerWaalsContact O-CG 3.27Å; P108-R112 WeakPolarHBondContact O-CG 3.13Å; P108-R112 PolarHBondContact O-N 3.18Å; V109-R112 PolarHBondContact O-N 2.89Å; V109-R112 VanDerWaalsContact O-N 3.14Å; L110-R112 PolarHBondContact O-N 3.23Å; R112-P114 VanDerWaalsContact C-CD 3.41Å; R112-P114 VanDerWaalsContact O-CD 3.28Å; R112-P114 WeakPolarHBondContact O-CD 3.47Å |
| 113 | N | 88.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -122.4 | 70.4 | -175.1 | -57.3 | 137.9 | 0 | 0 | 0 | 112.5 | A86 E87 L89 V109 L110 Q115 L116 | A86-N113 PolarHBondContact O-ND2 2.74Å; E87-N113 WeakPolarHBondContact CA-ND2 3.23Å; E87-N113 PolarHBondContact O-ND2 2.74Å; L89-N113 HydrophobicContact CB-CB 4.21Å; V109-N113 WeakPolarHBondContact CG1-OD1 3.46Å; V109-N113 PolarHBondContact O-N 3.1Å; V109-N113 PolarHBondContact O-OD1 2.93Å; V109-N113 VanDerWaalsContact O-OD1 3.05Å; L110-N113 PolarHBondContact O-N 2.71Å; N113-Q115 PolarHBondContact O-N 3.11Å; N113-L116 HydrophobicContact CB-CD1 3.73Å; N113-L116 HydrophobicContact CB-CG 3.74Å; N113-L116 WeakPolarHBondContact O-CB 3.32Å; N113-L116 WeakPolarHBondContact O-CG 3.32Å; N113-L116 PolarHBondContact O-N 3.39Å; N113-L116 VanDerWaalsContact O-N 3.12Å | ||
| 114 | P | 88.6 | Confident | 89.3 | Confident | 56 Ų | 56 | 36.3 Ų | 36.3 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -7.3 | 178.9 | 30.3 | -36.7 | 0 | 0 | 0 | 114.6 | R112 G138 | R112-P114 VanDerWaalsContact C-CD 3.41Å; R112-P114 VanDerWaalsContact O-CD 3.28Å; R112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-G138 WeakPolarHBondContact CA-O 3.42Å; P114-G138 WeakPolarHBondContact CB-O 3.21Å |
| 115 | Q | 90.1 | Very high | 89 | Confident | 69 Ų | 69 | 32 Ų | 32 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4 | 176.6 | -58.7 | -63.7 | -26.7 | 0 | 0 | 113 | L89 N113 R117 | L89-Q115 CarbonylContact O-C 3.55Å; N113-Q115 PolarHBondContact O-N 3.11Å; Q115-R117 PolarHBondContact O-N 2.86Å |
| 116 | L | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -60.2 | 127.9 | 177.3 | -82.4 | 169.6 | 0 | 0 | 0 | 110.8 | L89 L92 L110 N113 V119 C139 R141 L142 | L89-L116 HydrophobicContact CB-CD2 3.95Å; L89-L116 WeakPolarHBondContact O-CA 3.28Å; L89-L116 PolarHBondContact O-N 2.9Å; L92-L116 HydrophobicContact CB-CD2 3.8Å; L110-L116 HydrophobicContact CD2-CD1 3.76Å; N113-L116 HydrophobicContact CB-CD1 3.73Å; N113-L116 HydrophobicContact CB-CG 3.74Å; N113-L116 WeakPolarHBondContact O-CB 3.32Å; N113-L116 WeakPolarHBondContact O-CG 3.32Å; N113-L116 PolarHBondContact O-N 3.39Å; N113-L116 VanDerWaalsContact O-N 3.12Å; L116-V119 HydrophobicContact CB-CG2 4.37Å; L116-V119 HydrophobicContact CD1-CG2 4.22Å; L116-V119 HydrophobicContact CD2-CG2 4.28Å; L116-C139 HydrophobicContact CB-CB 4.24Å; L116-R141 CarbonylContact O-C 3.44Å; L116-R141 VanDerWaalsContact O-C 3.23Å; L116-L142 WeakPolarHBondContact O-CA 3.2Å; L116-L142 PolarHBondContact O-N 3.45Å | ||
| 117 | R | 93.9 | Very high | 88.9 | Confident | 96 Ų | 96 | 37.3 Ų | 37.3 | 36% | 0.362 | 23% | 0.225 | S | C | . | . | trans | -114 | -35 | 178.4 | -61.7 | -177 | -178.2 | -143.5 | 2.7 | 111.9 | Q90 Q115 Q143 R144 | Q90-R117 WeakPolarHBondContact O-CA 3.46Å; Q90-R117 PolarHBondContact O-N 3.44Å; Q115-R117 PolarHBondContact O-N 2.86Å; R117-Q143 HydrophobicContact CB-CG 4.42Å; R117-Q143 CarbonylContact O-C 3.56Å; R117-Q143 WeakPolarHBondContact O-CA 3.5Å; R117-Q143 PolarHBondContact O-N 2.85Å; R117-R144 PolarHBondContact O-N 3.28Å | ||
| 118 | S | 93.7 | Very high | 88.7 | Confident | 24 Ų | 24 | 36.6 Ų | 36.6 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 123 | -177.3 | -159.7 | 0 | 0 | 0 | 0 | 109.6 | Q90 E91 L92 R144 | Q90-S118 PolarHBondContact O-N 3.35Å; E91-S118 CarbonylContact C-O 3.53Å; E91-S118 VanDerWaalsContact CA-O 3.29Å; E91-S118 WeakPolarHBondContact CA-O 3.41Å; L92-S118 PolarHBondContact N-O 3.23Å; S118-R144 CarbonylContact C-O 3.23Å; S118-R144 WeakPolarHBondContact CA-O 3.18Å; S118-R144 PolarHBondContact OG-NE 2.82Å |
| 119 | V | 93.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.1 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | L92 L116 L121 L135 L142 R144 L145 S146 | L92-V119 HydrophobicContact CB-CG2 4.48Å; L92-V119 CarbonylContact O-C 3.5Å; L92-V119 VanDerWaalsContact O-CA 3.32Å; L92-V119 WeakPolarHBondContact O-CA 3.12Å; L116-V119 HydrophobicContact CB-CG2 4.37Å; L116-V119 HydrophobicContact CD1-CG2 4.22Å; L116-V119 HydrophobicContact CD2-CG2 4.28Å; V119-L121 HydrophobicContact CG1-CD1 3.88Å; V119-L121 HydrophobicContact CG1-CD2 4.21Å; V119-L121 HydrophobicContact CG1-CG 3.71Å; V119-L135 HydrophobicContact CB-CD2 4.41Å; V119-L135 HydrophobicContact CG1-CD2 4.18Å; V119-L135 HydrophobicContact CG2-CD2 4.08Å; V119-L142 HydrophobicContact CB-CD1 4.02Å; V119-L142 HydrophobicContact CG2-CD1 3.58Å; V119-R144 PolarHBondContact N-O 3.49Å; V119-L145 HydrophobicContact CB-CD1 3.98Å; V119-L145 HydrophobicContact CG1-CD1 3.99Å; V119-L145 CarbonylContact O-C 3.35Å; V119-L145 VanDerWaalsContact O-CA 3.32Å; V119-L145 WeakPolarHBondContact O-CA 3.47Å; V119-S146 PolarHBondContact O-N 3.1Å |
| 120 | A | 92 | Very high | 88.6 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L92 A93 L94 | L92-A120 PolarHBondContact O-N 3.01Å; A93-A120 HydrophobicContact CB-CB 4.12Å; L94-A120 PolarHBondContact N-O 2.8Å |
| 121 | L | 88.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -119.8 | 29.3 | -177.7 | -58.9 | 170.6 | 0 | 0 | 0 | 111.4 | L94 L101 L106 V119 G123 C124 L127 L135 S146 L147 C150 | L94-L121 HydrophobicContact CB-CD2 4.18Å; L94-L121 HydrophobicContact CD1-CD2 4.11Å; L101-L121 HydrophobicContact CD2-CD2 4.2Å; L106-L121 HydrophobicContact CD1-CD2 4.1Å; L106-L121 HydrophobicContact CD2-CD1 3.7Å; L106-L121 HydrophobicContact CD2-CD2 3.8Å; L106-L121 HydrophobicContact CD2-CG 4.41Å; V119-L121 HydrophobicContact CG1-CD1 3.88Å; V119-L121 HydrophobicContact CG1-CD2 4.21Å; V119-L121 HydrophobicContact CG1-CG 3.71Å; L121-G123 PolarHBondContact O-N 2.97Å; L121-C124 WeakPolarHBondContact O-CB 3.47Å; L121-C124 PolarHBondContact O-N 3.37Å; L121-C124 PolarHBondContact O-SG 3.44Å; L121-L127 HydrophobicContact CB-CD1 4.23Å; L121-L127 HydrophobicContact CD1-CD1 4.11Å; L121-L127 HydrophobicContact CD2-CD1 4.34Å; L121-L127 HydrophobicContact CG-CD1 4.45Å; L121-L135 HydrophobicContact CD1-CD1 4.17Å; L121-S146 PolarHBondContact N-O 3.4Å; L121-L147 HydrophobicContact CB-CD2 4.2Å; L121-L147 HydrophobicContact CD1-CD2 4.21Å; L121-C150 PolarHBondContact O-SG 3.14Å | ||
| 122 | G | 86.7 | Confident | 88.7 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 135.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A95 C124 A148 | A95-G122 WeakPolarHBondContact CA-O 3.26Å; G122-C124 PolarHBondContact O-N 3.42Å; G122-A148 CarbonylContact C-O 3.55Å; G122-A148 WeakPolarHBondContact CA-O 3.49Å |
| 123 | G | 82.9 | Confident | 88.8 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H98 L121 G125 A148 | H98-G123 VanDerWaalsContact CB-C 3.42Å; H98-G123 VanDerWaalsContact CB-O 3.29Å; H98-G123 WeakPolarHBondContact CB-O 3.24Å; L121-G123 PolarHBondContact O-N 2.97Å; G123-G125 PolarHBondContact O-N 3.07Å; G123-A148 PolarHBondContact N-O 3.34Å |
| 124 | C | 85.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -70.8 | 83.9 | -171.8 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | H98 L121 G122 Q126 L127 W152 | H98-C124 HydrophobicContact CB-CB 4.47Å; L121-C124 WeakPolarHBondContact O-CB 3.47Å; L121-C124 PolarHBondContact O-N 3.37Å; L121-C124 PolarHBondContact O-SG 3.44Å; G122-C124 PolarHBondContact O-N 3.42Å; C124-Q126 VanDerWaalsContact C-N 3.31Å; C124-Q126 PolarHBondContact O-N 3.23Å; C124-L127 HydrophobicContact CB-CD1 3.53Å; C124-L127 HydrophobicContact CB-CG 3.88Å; C124-L127 PolarHBondContact O-N 2.84Å; C124-W152 VanDerWaalsContact O-CD1 3.28Å; C124-W152 PolarHBondContact O-NE1 3.37Å | ||
| 125 | G | 82.3 | Confident | 89 | Confident | 53 Ų | 53 | 42.3 Ų | 42.3 | 55% | 0.546 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G123 | G123-G125 PolarHBondContact O-N 3.07Š|
| 126 | Q | 85.4 | Confident | 89.1 | Confident | 129 Ų | 129 | 39.2 Ų | 39.2 | 60% | 0.603 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0.9 | -179.6 | -65.5 | -65.2 | -45.1 | 0 | 0 | 113.5 | L101 C124 | L101-Q126 WeakPolarHBondContact O-CB 3.39Å; C124-Q126 VanDerWaalsContact C-N 3.31Å; C124-Q126 PolarHBondContact O-N 3.23Å |
| 127 | L | 87.9 | Confident | 89 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | trans | -81.7 | 160.7 | 174.9 | -67.3 | -179.4 | 0 | 0 | 0 | 111.2 | L101 L106 L121 C124 A131 W152 | L101-L127 HydrophobicContact CD2-CD1 4.31Å; L101-L127 HydrophobicContact CG-CD2 4.31Å; L106-L127 HydrophobicContact CB-CD2 4.41Å; L106-L127 HydrophobicContact CD2-CD1 3.89Å; L106-L127 HydrophobicContact CD2-CD2 3.96Å; L121-L127 HydrophobicContact CB-CD1 4.23Å; L121-L127 HydrophobicContact CD1-CD1 4.11Å; L121-L127 HydrophobicContact CD2-CD1 4.34Å; L121-L127 HydrophobicContact CG-CD1 4.45Å; C124-L127 HydrophobicContact CB-CD1 3.53Å; C124-L127 HydrophobicContact CB-CG 3.88Å; C124-L127 PolarHBondContact O-N 2.84Å; L127-A131 HydrophobicContact CB-CB 4.46Å; L127-A131 HydrophobicContact CD2-CB 4.31Å; L127-W152 HydrophobicContact CB-CD2 3.96Å; L127-W152 VanDerWaalsContact CB-CE2 3.47Å; L127-W152 HydrophobicContact CB-CE3 4.35Å; L127-W152 HydrophobicContact CB-CH2 3.89Å; L127-W152 HydrophobicContact CB-CZ2 3.47Å; L127-W152 VanDerWaalsContact CB-CZ2 3.47Å; L127-W152 HydrophobicContact CB-CZ3 4.29Å; L127-W152 HydrophobicContact CD1-CH2 4.12Å; L127-W152 HydrophobicContact CD1-CZ2 3.66Å; L127-W152 HydrophobicContact CG-CZ2 4.21Å; L127-W152 WeakPolarHBondContact O-CB 3.09Å | ||
| 128 | S | 87.6 | Confident | 88.7 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -134.3 | 179.8 | 177.5 | 77.3 | 0 | 0 | 0 | 0 | 111.9 | D103 R130 A131 W152 | D103-S128 VanDerWaalsContact CG-OG 3.31Å; D103-S128 PolarHBondContact OD1-N 3.28Å; D103-S128 VanDerWaalsContact OD1-N 3.13Å; D103-S128 PolarHBondContact OD1-OG 3.29Å; D103-S128 VanDerWaalsContact OD2-CB 3.31Å; D103-S128 WeakPolarHBondContact OD2-CB 3.47Å; D103-S128 PolarHBondContact OD2-N 2.94Å; D103-S128 PolarHBondContact OD2-OG 2.87Å; S128-R130 PolarHBondContact O-N 3Å; S128-R130 PolarHBondContact OG-N 3.37Å; S128-A131 WeakPolarHBondContact O-CB 3.47Å; S128-A131 PolarHBondContact O-N 2.99Å; S128-W152 VanDerWaalsContact C-CE3 3.44Å; S128-W152 WeakPolarHBondContact O-CZ3 3.39Å | ||
| 129 | R | 86.6 | Confident | 88.6 | Confident | 176 Ų | 176 | 40.2 Ų | 40.2 | 66% | 0.664 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -51.4 | -20.5 | 172 | 63.9 | 177.3 | -178.9 | -112.3 | -0.2 | 114 | L132 G133 A157 | R129-L132 PolarHBondContact O-N 3.01Å; R129-G133 PolarHBondContact O-N 2.84Å; R129-A157 HydrophobicContact CB-CB 4.25Å |
| 130 | R | 88.9 | Confident | 88.4 | Confident | 188 Ų | 188 | 43 Ų | 43 | 71% | 0.709 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63 | -41 | 174.7 | -71.1 | -177.8 | 165.6 | 175.3 | -2.8 | 111.9 | D103 S128 L132 G133 A134 | D103-R130 HydrophobicContact CB-CB 4.32Å; S128-R130 PolarHBondContact O-N 3Å; S128-R130 PolarHBondContact OG-N 3.37Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.34Å; R130-G133 PolarHBondContact O-N 2.82Å; R130-A134 WeakPolarHBondContact O-CB 3.47Å; R130-A134 PolarHBondContact O-N 2.84Å |
| 131 | A | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D103 L106 L127 S128 A134 L135 W152 | D103-A131 VanDerWaalsContact OD1-CB 3.29Å; D103-A131 WeakPolarHBondContact OD1-CB 3.42Å; D103-A131 PolarHBondContact OD1-N 2.89Å; L106-A131 HydrophobicContact CD2-CB 3.95Å; L127-A131 HydrophobicContact CB-CB 4.46Å; L127-A131 HydrophobicContact CD2-CB 4.31Å; S128-A131 WeakPolarHBondContact O-CB 3.47Å; S128-A131 PolarHBondContact O-N 2.99Å; A131-A134 PolarHBondContact O-N 2.87Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.98Å; A131-W152 HydrophobicContact CB-CH2 4.23Å; A131-W152 HydrophobicContact CB-CZ3 4.33Å |
| 132 | L | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 177.1 | -73.7 | 166.4 | 0 | 0 | 0 | 112.3 | R129 R130 A134 L135 A136 L145 L147 W152 V153 A157 L158 L161 | R129-L132 PolarHBondContact O-N 3.01Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.34Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L135 WeakPolarHBondContact O-CB 3.47Å; L132-L135 PolarHBondContact O-N 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.48Å; L132-A136 PolarHBondContact O-N 3.23Å; L132-L145 HydrophobicContact CD2-CD2 4.41Å; L132-L147 HydrophobicContact CD2-CD1 3.77Å; L132-W152 HydrophobicContact CD1-CE3 4.41Å; L132-W152 HydrophobicContact CD1-CZ3 3.79Å; L132-W152 HydrophobicContact CG-CH2 4.25Å; L132-W152 HydrophobicContact CG-CZ3 3.75Å; L132-V153 HydrophobicContact CD1-CG1 4.12Å; L132-A157 HydrophobicContact CB-CB 3.88Å; L132-A157 HydrophobicContact CD1-CB 3.77Å; L132-A157 HydrophobicContact CG-CB 4.48Å; L132-L158 HydrophobicContact CD2-CD2 4.48Å; L132-L161 HydrophobicContact CD2-CD1 3.67Å |
| 133 | G | 90.6 | Very high | 88.8 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R129 R130 A136 E137 | R129-G133 PolarHBondContact O-N 2.84Å; R130-G133 PolarHBondContact O-N 2.82Å; G133-A136 WeakPolarHBondContact O-CB 3.42Å; G133-A136 PolarHBondContact O-N 3.12Å; G133-E137 WeakPolarHBondContact O-CB 3.08Å; G133-E137 WeakPolarHBondContact O-CG 3.24Å; G133-E137 PolarHBondContact O-N 3.32Å |
| 134 | A | 90.8 | Very high | 89.3 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -33.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V107 L110 R130 A131 L132 G138 | V107-A134 HydrophobicContact CB-CB 4.24Å; V107-A134 HydrophobicContact CG1-CB 4Å; V107-A134 HydrophobicContact CG2-CB 3.76Å; L110-A134 HydrophobicContact CD1-CB 4.05Å; R130-A134 WeakPolarHBondContact O-CB 3.47Å; R130-A134 PolarHBondContact O-N 2.84Å; A131-A134 PolarHBondContact O-N 2.87Å; L132-A134 VanDerWaalsContact C-N 3.34Å; A134-G138 WeakPolarHBondContact O-CA 3.42Å; A134-G138 PolarHBondContact O-N 2.98Å |
| 135 | L | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 170.6 | -80.5 | 168.2 | 0 | 0 | 0 | 110.9 | L110 V119 L121 A131 L132 E137 C139 L142 L145 L161 | L110-L135 HydrophobicContact CD1-CB 4.46Å; L110-L135 HydrophobicContact CD1-CD2 3.76Å; L110-L135 HydrophobicContact CD1-CG 3.61Å; L110-L135 HydrophobicContact CD2-CD2 3.49Å; L110-L135 VanDerWaalsContact CD2-CD2 3.49Å; L110-L135 HydrophobicContact CD2-CG 4.32Å; L110-L135 HydrophobicContact CG-CD2 4.19Å; V119-L135 HydrophobicContact CB-CD2 4.41Å; V119-L135 HydrophobicContact CG1-CD2 4.18Å; V119-L135 HydrophobicContact CG2-CD2 4.08Å; L121-L135 HydrophobicContact CD1-CD1 4.17Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.98Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L135 WeakPolarHBondContact O-CB 3.47Å; L132-L135 PolarHBondContact O-N 3.29Å; L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 PolarHBondContact O-N 2.6Å; L135-C139 WeakPolarHBondContact O-CA 3.35Å; L135-C139 WeakPolarHBondContact O-CB 3.39Å; L135-C139 PolarHBondContact O-N 2.8Å; L135-L142 HydrophobicContact CD2-CD2 4.42Å; L135-L145 HydrophobicContact CD1-CD1 3.92Å; L135-L145 HydrophobicContact CD1-CD2 4.3Å; L135-L161 HydrophobicContact CB-CD1 3.84Å; L135-L161 HydrophobicContact CD1-CD1 4.21Å |
| 136 | A | 90.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L132 G133 L161 R164 | L132-A136 WeakPolarHBondContact O-CB 3.48Å; L132-A136 PolarHBondContact O-N 3.23Å; G133-A136 WeakPolarHBondContact O-CB 3.42Å; G133-A136 PolarHBondContact O-N 3.12Å; A136-L161 HydrophobicContact CB-CB 4.3Å; A136-R164 HydrophobicContact CB-CB 4.17Å; A136-R164 HydrophobicContact CB-CG 4.4Å; A136-R164 WeakPolarHBondContact O-CB 3.23Å |
| 137 | E | 90.2 | Very high | 90.4 | Very high | 128 Ų | 128 | 44.2 Ų | 44.2 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -84.7 | -38.3 | -177.4 | -73.1 | -178.2 | 177.5 | 0 | 0 | 113.4 | G133 L135 R164 | G133-E137 WeakPolarHBondContact O-CB 3.08Å; G133-E137 WeakPolarHBondContact O-CG 3.24Å; G133-E137 PolarHBondContact O-N 3.32Å; L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 PolarHBondContact O-N 2.6Å; E137-R164 IonicContact OE1-CZ 3.06Å; E137-R164 VanDerWaalsContact OE1-CZ 3.27Å; E137-R164 IonicContact OE1-NH1 3.91Å; E137-R164 PolarHBondContact OE1-NH1 2.87Å; E137-R164 IonicContact OE1-NH2 3.67Å; E137-R164 PolarHBondContact OE1-NH2 3.4Å |
| 138 | G | 87.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -84.9 | -31.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P114 A134 P140 | P114-G138 WeakPolarHBondContact CA-O 3.42Å; P114-G138 WeakPolarHBondContact CB-O 3.21Å; A134-G138 WeakPolarHBondContact O-CA 3.42Å; A134-G138 PolarHBondContact O-N 2.98Å; G138-P140 VanDerWaalsContact O-CD 3.26Å; G138-P140 WeakPolarHBondContact O-CD 3.34Å |
| 139 | C | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -123.5 | 69.7 | -164.4 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | L116 L135 R141 L142 C165 | L116-C139 HydrophobicContact CB-CB 4.24Å; L135-C139 WeakPolarHBondContact O-CA 3.35Å; L135-C139 WeakPolarHBondContact O-CB 3.39Å; L135-C139 PolarHBondContact O-N 2.8Å; C139-R141 PolarHBondContact O-N 3.26Å; C139-R141 VanDerWaalsContact O-N 3.17Å; C139-L142 HydrophobicContact CB-CB 4.37Å; C139-L142 WeakPolarHBondContact O-CB 3.38Å; C139-L142 PolarHBondContact O-N 2.91Å; C139-C165 PolarHBondContact O-SG 3.31Å | ||
| 140 | P | 88.8 | Confident | 90.5 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.4 | -177.4 | 28.2 | -35.9 | 0 | 0 | 0 | 114.1 | G138 | G138-P140 VanDerWaalsContact O-CD 3.26Å; G138-P140 WeakPolarHBondContact O-CD 3.34Å |
| 141 | R | 91.1 | Very high | 90.3 | Very high | 130 Ų | 130 | 34.5 Ų | 34.5 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 14.2 | -180 | -66.7 | -175.6 | 172.6 | -169 | -6.3 | 113.5 | L116 C139 Q143 | L116-R141 CarbonylContact O-C 3.44Å; L116-R141 VanDerWaalsContact O-C 3.23Å; C139-R141 PolarHBondContact O-N 3.26Å; C139-R141 VanDerWaalsContact O-N 3.17Å; R141-Q143 PolarHBondContact O-N 2.87Å |
| 142 | L | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -64.5 | 125.3 | -179.4 | -167 | 70.3 | 0 | 0 | 0 | 110.3 | L116 V119 L135 C139 L145 C165 A167 L168 | L116-L142 WeakPolarHBondContact O-CA 3.2Å; L116-L142 PolarHBondContact O-N 3.45Å; V119-L142 HydrophobicContact CB-CD1 4.02Å; V119-L142 HydrophobicContact CG2-CD1 3.58Å; L135-L142 HydrophobicContact CD2-CD2 4.42Å; C139-L142 HydrophobicContact CB-CB 4.37Å; C139-L142 WeakPolarHBondContact O-CB 3.38Å; C139-L142 PolarHBondContact O-N 2.91Å; L142-L145 HydrophobicContact CD2-CB 4.09Å; L142-L145 HydrophobicContact CD2-CD1 4.46Å; L142-L145 HydrophobicContact CD2-CD2 4.16Å; L142-L145 HydrophobicContact CD2-CG 4.47Å; L142-C165 HydrophobicContact CB-CB 4.34Å; L142-A167 CarbonylContact O-C 3.58Å; L142-L168 HydrophobicContact CD2-CD1 4.21Å; L142-L168 HydrophobicContact CG-CD1 4.16Å; L142-L168 WeakPolarHBondContact O-CA 3.37Å; L142-L168 PolarHBondContact O-N 3.47Å; L142-L168 VanDerWaalsContact O-N 3.15Å | ||
| 143 | Q | 93.6 | Very high | 90 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | trans | -110.5 | -37.4 | 179.9 | -62.1 | -174.2 | -61.6 | 0 | 0 | 112.2 | R117 R141 A167 E169 E170 | R117-Q143 HydrophobicContact CB-CG 4.42Å; R117-Q143 CarbonylContact O-C 3.56Å; R117-Q143 WeakPolarHBondContact O-CA 3.5Å; R117-Q143 PolarHBondContact O-N 2.85Å; R141-Q143 PolarHBondContact O-N 2.87Å; Q143-A167 WeakPolarHBondContact CA-O 3.29Å; Q143-A167 HydrophobicContact CG-CB 4.4Å; Q143-E169 PolarHBondContact NE2-OE1 3.03Å; Q143-E169 VanDerWaalsContact NE2-OE1 3.11Å; Q143-E169 PolarHBondContact O-N 3.44Å; Q143-E170 PolarHBondContact O-N 3.23Å | ||
| 144 | R | 93.8 | Very high | 89.8 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 28% | 0.275 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.8 | -178.3 | -59.2 | -171.1 | -75.3 | -89.8 | -1.3 | 110.5 | E91 R117 S118 V119 E170 | E91-R144 IonicContact OE1-NH2 2.82Å; R117-R144 PolarHBondContact O-N 3.28Å; S118-R144 CarbonylContact C-O 3.23Å; S118-R144 WeakPolarHBondContact CA-O 3.18Å; S118-R144 PolarHBondContact OG-NE 2.82Å; V119-R144 PolarHBondContact N-O 3.49Å; R144-E170 CarbonylContact C-O 3.6Å; R144-E170 VanDerWaalsContact CA-O 3.32Å; R144-E170 WeakPolarHBondContact CA-O 3.2Å; R144-E170 HydrophobicContact CB-CB 4.29Å; R144-E170 VanDerWaalsContact CD-CD 3.47Å; R144-E170 WeakPolarHBondContact CD-OE2 3.36Å; R144-E170 HydrophobicContact CG-CB 3.9Å; R144-E170 HydrophobicContact CG-CG 4.05Å; R144-E170 WeakPolarHBondContact CG-OE2 3.18Å |
| 145 | L | 92.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 120.4 | 176.1 | 179.4 | 58.9 | 0 | 0 | 0 | 110.1 | V119 L132 L135 L142 L147 L161 L168 E170 L171 D172 | V119-L145 HydrophobicContact CB-CD1 3.98Å; V119-L145 HydrophobicContact CG1-CD1 3.99Å; V119-L145 CarbonylContact O-C 3.35Å; V119-L145 VanDerWaalsContact O-CA 3.32Å; V119-L145 WeakPolarHBondContact O-CA 3.47Å; L132-L145 HydrophobicContact CD2-CD2 4.41Å; L135-L145 HydrophobicContact CD1-CD1 3.92Å; L135-L145 HydrophobicContact CD1-CD2 4.3Å; L142-L145 HydrophobicContact CD2-CB 4.09Å; L142-L145 HydrophobicContact CD2-CD1 4.46Å; L142-L145 HydrophobicContact CD2-CD2 4.16Å; L142-L145 HydrophobicContact CD2-CG 4.47Å; L145-L147 HydrophobicContact CD1-CD2 4.02Å; L145-L147 HydrophobicContact CD1-CG 4.2Å; L145-L147 HydrophobicContact CD2-CD1 3.96Å; L145-L147 HydrophobicContact CD2-CG 4.26Å; L145-L147 HydrophobicContact CG-CD1 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.32Å; L145-L147 HydrophobicContact CG-CG 3.96Å; L145-L161 HydrophobicContact CD2-CD1 3.53Å; L145-L161 HydrophobicContact CD2-CD2 4.06Å; L145-L161 HydrophobicContact CD2-CG 4.48Å; L145-L168 HydrophobicContact CB-CD1 4.07Å; L145-E170 PolarHBondContact N-O 2.81Å; L145-L171 HydrophobicContact CB-CD1 3.81Å; L145-L171 HydrophobicContact CD2-CD1 3.81Å; L145-L171 HydrophobicContact CG-CD1 3.88Å; L145-L171 CarbonylContact O-C 3.43Å; L145-L171 WeakPolarHBondContact O-CA 3.37Å; L145-D172 PolarHBondContact O-N 3.23Å |
| 146 | S | 92.6 | Very high | 89.3 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.2 | 170.5 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | V119 L121 D172 | V119-S146 PolarHBondContact O-N 3.1Å; L121-S146 PolarHBondContact N-O 3.4Å; S146-D172 PolarHBondContact OG-OD2 3.2Å |
| 147 | L | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -121 | 28.9 | 175.2 | -56.9 | 169.1 | 0 | 0 | 0 | 109.9 | L121 L132 L145 H149 C150 W152 V153 L158 D172 L173 C176 | L121-L147 HydrophobicContact CB-CD2 4.2Å; L121-L147 HydrophobicContact CD1-CD2 4.21Å; L132-L147 HydrophobicContact CD2-CD1 3.77Å; L145-L147 HydrophobicContact CD1-CD2 4.02Å; L145-L147 HydrophobicContact CD1-CG 4.2Å; L145-L147 HydrophobicContact CD2-CD1 3.96Å; L145-L147 HydrophobicContact CD2-CG 4.26Å; L145-L147 HydrophobicContact CG-CD1 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.32Å; L145-L147 HydrophobicContact CG-CG 3.96Å; L147-H149 PolarHBondContact O-N 3.35Å; L147-C150 HydrophobicContact CB-CB 4.25Å; L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 3.39Å; L147-C150 VanDerWaalsContact O-N 3.13Å; L147-W152 HydrophobicContact CD2-CH2 4.05Å; L147-W152 HydrophobicContact CD2-CZ2 4.21Å; L147-V153 HydrophobicContact CB-CG2 3.99Å; L147-V153 HydrophobicContact CD1-CG1 4.15Å; L147-V153 HydrophobicContact CD1-CG2 3.89Å; L147-V153 HydrophobicContact CG-CG2 4.4Å; L147-L158 HydrophobicContact CD1-CD2 4.25Å; L147-D172 CarbonylContact C-O 3.55Å; L147-D172 PolarHBondContact N-O 2.75Å; L147-L173 HydrophobicContact CB-CD2 4.23Å; L147-L173 HydrophobicContact CD1-CD2 3.95Å; L147-C176 PolarHBondContact O-SG 3.11Å | ||
| 148 | A | 89.4 | Confident | 89 | Confident | 13 Ų | 13 | 39 Ų | 39 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G122 G123 C150 T174 | G122-A148 CarbonylContact C-O 3.55Å; G122-A148 WeakPolarHBondContact CA-O 3.49Å; G123-A148 PolarHBondContact N-O 3.34Å; A148-C150 PolarHBondContact O-N 3.14Å; A148-T174 CarbonylContact C-O 3.57Å; A148-T174 VanDerWaalsContact CA-O 3.29Å; A148-T174 WeakPolarHBondContact CA-O 3.32Å |
| 149 | H | 87.8 | Confident | 89 | Confident | 121 Ų | 121 | 42.3 Ų | 42.3 | 56% | 0.56 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 24.8 | -178.3 | -55.2 | -78.4 | 0 | 0 | 0 | 115.1 | L147 T174 | L147-H149 PolarHBondContact O-N 3.35Å; H149-T174 PolarHBondContact N-O 3.15Å |
| 150 | C | 87.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -99.8 | 100.8 | 175.4 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | L121 L147 A148 W152 V153 C176 | L121-C150 PolarHBondContact O-SG 3.14Å; L147-C150 HydrophobicContact CB-CB 4.25Å; L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 3.39Å; L147-C150 VanDerWaalsContact O-N 3.13Å; A148-C150 PolarHBondContact O-N 3.14Å; C150-W152 HydrophobicContact CB-CD2 4.42Å; C150-W152 HydrophobicContact CB-CZ2 4.03Å; C150-W152 VanDerWaalsContact CB-NE1 3.33Å; C150-W152 PolarHBondContact O-N 3.35Å; C150-W152 PolarHBondContact SG-NE1 3.14Å; C150-V153 HydrophobicContact CB-CG2 3.62Å; C150-V153 WeakPolarHBondContact O-CG2 3.48Å; C150-C176 PolarHBondContact O-SG 3.09Å | ||
| 151 | D | 85.3 | Confident | 88.9 | Confident | 69 Ų | 69 | 40.5 Ų | 40.5 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7 | 179.2 | -72.3 | -35.5 | 0 | 0 | 0 | 113.7 | R177 Q178 | D151-R177 WeakPolarHBondContact OD1-CB 3.4Å; D151-R177 PolarHBondContact OD1-N 2.94Å; D151-R177 VanDerWaalsContact OD1-N 3.07Å; D151-R177 IonicContact OD2-NH1 3.69Å; D151-Q178 HydrophobicContact CB-CG 4.43Å; D151-Q178 VanDerWaalsContact O-CB 3.31Å; D151-Q178 WeakPolarHBondContact O-CB 3.29Å; D151-Q178 WeakPolarHBondContact O-CG 3.38Å |
| 152 | W | 87.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.5 | 179.6 | 55.4 | -95.4 | 0 | 0 | 0 | 113.8 | C124 L127 S128 A131 L132 L147 C150 D154 | C124-W152 VanDerWaalsContact O-CD1 3.28Å; C124-W152 PolarHBondContact O-NE1 3.37Å; L127-W152 HydrophobicContact CB-CD2 3.96Å; L127-W152 VanDerWaalsContact CB-CE2 3.47Å; L127-W152 HydrophobicContact CB-CE3 4.35Å; L127-W152 HydrophobicContact CB-CH2 3.89Å; L127-W152 HydrophobicContact CB-CZ2 3.47Å; L127-W152 VanDerWaalsContact CB-CZ2 3.47Å; L127-W152 HydrophobicContact CB-CZ3 4.29Å; L127-W152 HydrophobicContact CD1-CH2 4.12Å; L127-W152 HydrophobicContact CD1-CZ2 3.66Å; L127-W152 HydrophobicContact CG-CZ2 4.21Å; L127-W152 WeakPolarHBondContact O-CB 3.09Å; S128-W152 VanDerWaalsContact C-CE3 3.44Å; S128-W152 WeakPolarHBondContact O-CZ3 3.39Å; A131-W152 HydrophobicContact CB-CH2 4.23Å; A131-W152 HydrophobicContact CB-CZ3 4.33Å; L132-W152 HydrophobicContact CD1-CE3 4.41Å; L132-W152 HydrophobicContact CD1-CZ3 3.79Å; L132-W152 HydrophobicContact CG-CH2 4.25Å; L132-W152 HydrophobicContact CG-CZ3 3.75Å; L147-W152 HydrophobicContact CD2-CH2 4.05Å; L147-W152 HydrophobicContact CD2-CZ2 4.21Å; C150-W152 HydrophobicContact CB-CD2 4.42Å; C150-W152 HydrophobicContact CB-CZ2 4.03Å; C150-W152 VanDerWaalsContact CB-NE1 3.33Å; C150-W152 PolarHBondContact O-N 3.35Å; C150-W152 PolarHBondContact SG-NE1 3.14Å; W152-D154 PolarHBondContact O-N 3.36Å |
| 153 | V | 86.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | trans | -71.5 | 120.2 | -177.7 | 179.2 | 0 | 0 | 0 | 0 | 110 | L132 L147 C150 L158 L173 L179 | L132-V153 HydrophobicContact CD1-CG1 4.12Å; L147-V153 HydrophobicContact CB-CG2 3.99Å; L147-V153 HydrophobicContact CD1-CG1 4.15Å; L147-V153 HydrophobicContact CD1-CG2 3.89Å; L147-V153 HydrophobicContact CG-CG2 4.4Å; C150-V153 HydrophobicContact CB-CG2 3.62Å; C150-V153 WeakPolarHBondContact O-CG2 3.48Å; V153-L158 HydrophobicContact CG1-CD1 3.49Å; V153-L158 VanDerWaalsContact CG1-CD1 3.49Å; V153-L158 HydrophobicContact CG1-CD2 4.24Å; V153-L158 HydrophobicContact CG1-CG 3.76Å; V153-L173 HydrophobicContact CG1-CD2 4.37Å; V153-L179 HydrophobicContact CG1-CD1 4.38Å | ||
| 154 | D | 85 | Confident | 88.3 | Confident | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | trans | -102.9 | 137.5 | 179.8 | -173.4 | 2.5 | 0 | 0 | 0 | 110.8 | W152 L156 A157 L158 | W152-D154 PolarHBondContact O-N 3.36Å; D154-L156 VanDerWaalsContact C-N 3.3Å; D154-L156 PolarHBondContact O-N 2.98Å; D154-L156 PolarHBondContact OD1-N 3.27Å; D154-A157 HydrophobicContact CB-CB 4.25Å; D154-A157 PolarHBondContact O-N 2.87Å; D154-L158 PolarHBondContact O-N 2.97Å | ||
| 155 | G | 85.6 | Confident | 88.1 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.7 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L158 R159 A183 | G155-L158 PolarHBondContact O-N 3.34Å; G155-R159 WeakPolarHBondContact O-CG 3.32Å; G155-R159 PolarHBondContact O-N 2.91Å; G155-A183 VanDerWaalsContact CA-CB 3.46Å |
| 156 | L | 85.6 | Confident | 87.8 | Confident | 131 Ų | 131 | 44.4 Ų | 44.4 | 69% | 0.686 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.3 | -41.7 | 176.4 | -72.8 | 171.8 | 0 | 0 | 0 | 111.9 | D154 R159 G160 | D154-L156 VanDerWaalsContact C-N 3.3Å; D154-L156 PolarHBondContact O-N 2.98Å; D154-L156 PolarHBondContact OD1-N 3.27Å; L156-R159 PolarHBondContact O-N 3.29Å; L156-G160 PolarHBondContact O-N 3.45Å; L156-G160 VanDerWaalsContact O-N 3.14Å |
| 157 | A | 86.4 | Confident | 87.7 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R129 L132 D154 G160 L161 | R129-A157 HydrophobicContact CB-CB 4.25Å; L132-A157 HydrophobicContact CB-CB 3.88Å; L132-A157 HydrophobicContact CD1-CB 3.77Å; L132-A157 HydrophobicContact CG-CB 4.48Å; D154-A157 HydrophobicContact CB-CB 4.25Å; D154-A157 PolarHBondContact O-N 2.87Å; A157-G160 PolarHBondContact O-N 2.87Å; A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 3.02Å |
| 158 | L | 88.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 173.6 | -81.7 | 173.3 | 0 | 0 | 0 | 113 | L132 L147 V153 D154 G155 L161 A162 L171 L173 L179 L187 | L132-L158 HydrophobicContact CD2-CD2 4.48Å; L147-L158 HydrophobicContact CD1-CD2 4.25Å; V153-L158 HydrophobicContact CG1-CD1 3.49Å; V153-L158 VanDerWaalsContact CG1-CD1 3.49Å; V153-L158 HydrophobicContact CG1-CD2 4.24Å; V153-L158 HydrophobicContact CG1-CG 3.76Å; D154-L158 PolarHBondContact O-N 2.97Å; G155-L158 PolarHBondContact O-N 3.34Å; L158-L161 PolarHBondContact O-N 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 2.97Å; L158-L171 HydrophobicContact CD2-CD1 4.48Å; L158-L171 HydrophobicContact CD2-CD2 4.19Å; L158-L173 HydrophobicContact CD1-CD1 4.16Å; L158-L173 HydrophobicContact CD1-CD2 4.19Å; L158-L173 HydrophobicContact CD2-CD2 4.4Å; L158-L179 HydrophobicContact CD1-CD1 3.46Å; L158-L179 VanDerWaalsContact CD1-CD1 3.46Å; L158-L179 HydrophobicContact CD1-CD2 4.32Å; L158-L187 HydrophobicContact CB-CD1 4.38Å; L158-L187 HydrophobicContact CD1-CD1 4.25Å |
| 159 | R | 88.1 | Confident | 87.7 | Confident | 80 Ų | 80 | 52.6 Ų | 52.6 | 30% | 0.302 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 173.2 | -68.7 | -177.8 | 179 | -160.1 | -0.4 | 110.9 | G155 L156 L161 A162 D163 E182 Y186 | G155-R159 WeakPolarHBondContact O-CG 3.32Å; G155-R159 PolarHBondContact O-N 2.91Å; L156-R159 PolarHBondContact O-N 3.29Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.04Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 3.03Å; R159-D163 VanDerWaalsContact O-CG 3.27Å; R159-D163 PolarHBondContact O-N 2.84Å; R159-E182 PolarHBondContact NH2-O 2.92Å; R159-Y186 HydrophobicContact CB-CD1 4.1Å; R159-Y186 HydrophobicContact CB-CE1 3.93Å; R159-Y186 HydrophobicContact CG-CD1 3.52Å; R159-Y186 HydrophobicContact CG-CD2 4.39Å; R159-Y186 HydrophobicContact CG-CE1 3.85Å; R159-Y186 HydrophobicContact CG-CG 3.8Å |
| 160 | G | 87.9 | Confident | 87.8 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L156 A157 D163 R164 | L156-G160 PolarHBondContact O-N 3.45Å; L156-G160 VanDerWaalsContact O-N 3.14Å; A157-G160 PolarHBondContact O-N 2.87Å; G160-D163 PolarHBondContact O-N 3.28Å; G160-R164 WeakPolarHBondContact O-CG 3.39Å; G160-R164 PolarHBondContact O-N 3.11Å |
| 161 | L | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 174.6 | -174.4 | 147.2 | 0 | 0 | 0 | 111.3 | L132 L135 A136 L145 A157 L158 R159 D163 R164 C165 L168 | L132-L161 HydrophobicContact CD2-CD1 3.67Å; L135-L161 HydrophobicContact CB-CD1 3.84Å; L135-L161 HydrophobicContact CD1-CD1 4.21Å; A136-L161 HydrophobicContact CB-CB 4.3Å; L145-L161 HydrophobicContact CD2-CD1 3.53Å; L145-L161 HydrophobicContact CD2-CD2 4.06Å; L145-L161 HydrophobicContact CD2-CG 4.48Å; A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 3.02Å; L158-L161 PolarHBondContact O-N 3.32Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.04Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.29Å; L161-R164 PolarHBondContact O-N 3.18Å; L161-C165 HydrophobicContact CD2-CB 4.38Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.19Å; L161-C165 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-SG 3.13Å; L161-L168 HydrophobicContact CD2-CD2 3.85Å |
| 162 | A | 87.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.7 | -52.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L158 R159 R164 C165 L187 R190 | L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 2.97Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 3.03Å; A162-R164 PolarHBondContact O-N 3.23Å; A162-R164 VanDerWaalsContact O-N 3.1Å; A162-C165 CarbonylContact O-C 3.58Å; A162-C165 PolarHBondContact O-N 3.43Å; A162-C165 VanDerWaalsContact O-N 3.15Å; A162-L187 HydrophobicContact CB-CD2 3.59Å; A162-R190 VanDerWaalsContact O-CZ 3.24Å; A162-R190 PolarHBondContact O-NH1 3.33Å; A162-R190 VanDerWaalsContact O-NH1 3.11Å; A162-R190 PolarHBondContact O-NH2 3.07Å |
| 163 | D | 88.8 | Confident | 88.2 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.6 | -32.8 | -172.9 | -71.2 | -16.6 | 0 | 0 | 0 | 113.5 | R159 G160 L161 Y186 R190 | R159-D163 VanDerWaalsContact O-CG 3.27Å; R159-D163 PolarHBondContact O-N 2.84Å; G160-D163 PolarHBondContact O-N 3.28Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.29Å; D163-Y186 PolarHBondContact OD1-OH 3.32Å; D163-Y186 PolarHBondContact OD2-OH 3.13Å; D163-R190 IonicContact OD1-CZ 3.87Å; D163-R190 IonicContact OD1-NH1 3.61Å; D163-R190 PolarHBondContact OD1-NH1 3.33Å |
| 164 | R | 89.3 | Confident | 88.3 | Confident | 126 Ų | 126 | 57.8 Ų | 57.8 | 48% | 0.475 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -98.3 | -15 | -178.9 | -54.9 | -165 | -146.6 | -161.6 | 24.1 | 114.4 | A136 E137 G160 L161 A162 P166 | A136-R164 HydrophobicContact CB-CB 4.17Å; A136-R164 HydrophobicContact CB-CG 4.4Å; A136-R164 WeakPolarHBondContact O-CB 3.23Å; E137-R164 IonicContact OE1-CZ 3.06Å; E137-R164 VanDerWaalsContact OE1-CZ 3.27Å; E137-R164 IonicContact OE1-NH1 3.91Å; E137-R164 PolarHBondContact OE1-NH1 2.87Å; E137-R164 IonicContact OE1-NH2 3.67Å; E137-R164 PolarHBondContact OE1-NH2 3.4Å; G160-R164 WeakPolarHBondContact O-CG 3.39Å; G160-R164 PolarHBondContact O-N 3.11Å; L161-R164 PolarHBondContact O-N 3.18Å; A162-R164 PolarHBondContact O-N 3.23Å; A162-R164 VanDerWaalsContact O-N 3.1Å; R164-P166 VanDerWaalsContact C-CD 3.41Å; R164-P166 WeakPolarHBondContact O-CD 3.44Å |
| 165 | C | 89.7 | Confident | 88.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | trans | -113.3 | 74.7 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | C139 L142 L161 A162 A167 L168 | C139-C165 PolarHBondContact O-SG 3.31Å; L142-C165 HydrophobicContact CB-CB 4.34Å; L161-C165 HydrophobicContact CD2-CB 4.38Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.19Å; L161-C165 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-SG 3.13Å; A162-C165 CarbonylContact O-C 3.58Å; A162-C165 PolarHBondContact O-N 3.43Å; A162-C165 VanDerWaalsContact O-N 3.15Å; C165-A167 PolarHBondContact O-N 3.41Å; C165-L168 WeakPolarHBondContact O-CB 3.41Å; C165-L168 PolarHBondContact O-N 3.36Å | ||
| 166 | P | 86.9 | Confident | 88.3 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 67% | 0.669 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -14.9 | -178.2 | 29.6 | -36.7 | 0 | 0 | 0 | 113.6 | R164 L168 | R164-P166 VanDerWaalsContact C-CD 3.41Å; R164-P166 WeakPolarHBondContact O-CD 3.44Å; P166-L168 VanDerWaalsContact C-N 3.32Å |
| 167 | A | 89.3 | Confident | 88.2 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L142 Q143 C165 E169 | L142-A167 CarbonylContact O-C 3.58Å; Q143-A167 WeakPolarHBondContact CA-O 3.29Å; Q143-A167 HydrophobicContact CG-CB 4.4Å; C165-A167 PolarHBondContact O-N 3.41Å; A167-E169 PolarHBondContact O-N 3.21Å |
| 168 | L | 89.5 | Confident | 88 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | trans | -69.2 | 115.9 | -177.1 | -168.1 | 74.1 | 0 | 0 | 0 | 110.3 | L142 L145 L161 C165 P166 L171 | L142-L168 HydrophobicContact CD2-CD1 4.21Å; L142-L168 HydrophobicContact CG-CD1 4.16Å; L142-L168 WeakPolarHBondContact O-CA 3.37Å; L142-L168 PolarHBondContact O-N 3.47Å; L142-L168 VanDerWaalsContact O-N 3.15Å; L145-L168 HydrophobicContact CB-CD1 4.07Å; L161-L168 HydrophobicContact CD2-CD2 3.85Å; C165-L168 WeakPolarHBondContact O-CB 3.41Å; C165-L168 PolarHBondContact O-N 3.36Å; P166-L168 VanDerWaalsContact C-N 3.32Å; L168-L171 HydrophobicContact CD2-CB 4.26Å; L168-L171 HydrophobicContact CD2-CD2 4.31Å | ||
| 169 | E | 90.5 | Very high | 87.7 | Confident | 135 Ų | 135 | 66.9 Ų | 66.9 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | trans | -106.1 | -36.9 | -177.8 | -70.6 | 167.6 | -154.1 | 0 | 0 | 111.6 | Q143 A167 | Q143-E169 PolarHBondContact NE2-OE1 3.03Å; Q143-E169 VanDerWaalsContact NE2-OE1 3.11Å; Q143-E169 PolarHBondContact O-N 3.44Å; A167-E169 PolarHBondContact O-N 3.21Å | ||
| 170 | E | 90.4 | Very high | 87.5 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 52% | 0.523 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.9 | -178.4 | -55.1 | 174.4 | -167.8 | 0 | 0 | 110.8 | Q143 R144 L145 | Q143-E170 PolarHBondContact O-N 3.23Å; R144-E170 CarbonylContact C-O 3.6Å; R144-E170 VanDerWaalsContact CA-O 3.32Å; R144-E170 WeakPolarHBondContact CA-O 3.2Å; R144-E170 HydrophobicContact CB-CB 4.29Å; R144-E170 VanDerWaalsContact CD-CD 3.47Å; R144-E170 WeakPolarHBondContact CD-OE2 3.36Å; R144-E170 HydrophobicContact CG-CB 3.9Å; R144-E170 HydrophobicContact CG-CG 4.05Å; R144-E170 WeakPolarHBondContact CG-OE2 3.18Å; L145-E170 PolarHBondContact N-O 2.81Å |
| 171 | L | 90.1 | Very high | 87.2 | Confident | 53 Ų | 53 | 75 Ų | 75 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 112.3 | 176 | -178.9 | 62.1 | 0 | 0 | 0 | 109.1 | L145 L158 L168 L173 L187 | L145-L171 HydrophobicContact CB-CD1 3.81Å; L145-L171 HydrophobicContact CD2-CD1 3.81Å; L145-L171 HydrophobicContact CG-CD1 3.88Å; L145-L171 CarbonylContact O-C 3.43Å; L145-L171 WeakPolarHBondContact O-CA 3.37Å; L158-L171 HydrophobicContact CD2-CD1 4.48Å; L158-L171 HydrophobicContact CD2-CD2 4.19Å; L168-L171 HydrophobicContact CD2-CB 4.26Å; L168-L171 HydrophobicContact CD2-CD2 4.31Å; L171-L173 HydrophobicContact CD1-CD2 4.06Å; L171-L173 HydrophobicContact CD1-CG 4.38Å; L171-L173 HydrophobicContact CD2-CD1 3.85Å; L171-L173 HydrophobicContact CD2-CD2 4.41Å; L171-L173 HydrophobicContact CD2-CG 4.23Å; L171-L173 HydrophobicContact CG-CD1 4.04Å; L171-L173 HydrophobicContact CG-CD2 4.09Å; L171-L173 HydrophobicContact CG-CG 3.89Å; L171-L187 HydrophobicContact CD2-CD1 3.65Å; L171-L187 HydrophobicContact CD2-CD2 4.2Å |
| 172 | D | 90.3 | Very high | 86.8 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 111.4 | 178.4 | 169.6 | 23.4 | 0 | 0 | 0 | 110 | L145 S146 L147 T174 | L145-D172 PolarHBondContact O-N 3.23Å; S146-D172 PolarHBondContact OG-OD2 3.2Å; L147-D172 CarbonylContact C-O 3.55Å; L147-D172 PolarHBondContact N-O 2.75Å; D172-T174 WeakPolarHBondContact OD1-CB 3.22Å; D172-T174 PolarHBondContact OD1-N 3.27Å; D172-T174 PolarHBondContact OD1-OG1 2.75Å |
| 173 | L | 88.1 | Confident | 86.6 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | trans | -114.4 | 24.4 | 179.7 | -57.9 | 170.4 | 0 | 0 | 0 | 111.2 | L147 V153 L158 L171 A175 C176 L179 L187 | L147-L173 HydrophobicContact CB-CD2 4.23Å; L147-L173 HydrophobicContact CD1-CD2 3.95Å; V153-L173 HydrophobicContact CG1-CD2 4.37Å; L158-L173 HydrophobicContact CD1-CD1 4.16Å; L158-L173 HydrophobicContact CD1-CD2 4.19Å; L158-L173 HydrophobicContact CD2-CD2 4.4Å; L171-L173 HydrophobicContact CD1-CD2 4.06Å; L171-L173 HydrophobicContact CD1-CG 4.38Å; L171-L173 HydrophobicContact CD2-CD1 3.85Å; L171-L173 HydrophobicContact CD2-CD2 4.41Å; L171-L173 HydrophobicContact CD2-CG 4.23Å; L171-L173 HydrophobicContact CG-CD1 4.04Å; L171-L173 HydrophobicContact CG-CD2 4.09Å; L171-L173 HydrophobicContact CG-CG 3.89Å; L173-A175 PolarHBondContact O-N 3.25Å; L173-C176 WeakPolarHBondContact O-CB 3.29Å; L173-C176 PolarHBondContact O-N 2.81Å; L173-C176 VanDerWaalsContact O-N 3.15Å; L173-C176 PolarHBondContact O-SG 3.32Å; L173-L179 HydrophobicContact CB-CD2 4.36Å; L173-L179 HydrophobicContact CD1-CD2 3.59Å; L173-L179 HydrophobicContact CG-CD2 4.44Å; L173-L187 HydrophobicContact CD1-CD1 4.34Å | ||
| 174 | T | 88.2 | Confident | 86.2 | Confident | 85 Ų | 85 | 81 Ų | 81 | 52% | 0.521 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 129.1 | -176.4 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | A148 H149 D172 C176 | A148-T174 CarbonylContact C-O 3.57Å; A148-T174 VanDerWaalsContact CA-O 3.29Å; A148-T174 WeakPolarHBondContact CA-O 3.32Å; H149-T174 PolarHBondContact N-O 3.15Å; D172-T174 WeakPolarHBondContact OD1-CB 3.22Å; D172-T174 PolarHBondContact OD1-N 3.27Å; D172-T174 PolarHBondContact OD1-OG1 2.75Å; T174-C176 PolarHBondContact O-N 3.25Å |
| 175 | A | 84.8 | Confident | 86 | Confident | 44 Ų | 44 | 78.5 Ų | 78.5 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L173 R177 | L173-A175 PolarHBondContact O-N 3.25Å; A175-R177 PolarHBondContact O-N 3.31Å |
| 176 | C | 86.4 | Confident | 85.7 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 10% | 0.101 | 42% | 0.415 | C | S | . | . | trans | -80.4 | 96.8 | 167.3 | -64.7 | 0 | 0 | 0 | 0 | 110 | L147 C150 L173 T174 Q178 L179 | L147-C176 PolarHBondContact O-SG 3.11Å; C150-C176 PolarHBondContact O-SG 3.09Å; L173-C176 WeakPolarHBondContact O-CB 3.29Å; L173-C176 PolarHBondContact O-N 2.81Å; L173-C176 VanDerWaalsContact O-N 3.15Å; L173-C176 PolarHBondContact O-SG 3.32Å; T174-C176 PolarHBondContact O-N 3.25Å; C176-Q178 PolarHBondContact O-N 2.85Å; C176-L179 HydrophobicContact CB-CB 4.33Å | ||
| 177 | R | 82.1 | Confident | 85.4 | Confident | 194 Ų | 194 | 78.3 Ų | 78.3 | 73% | 0.732 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -20.6 | -168.8 | -60 | -172.2 | -177.2 | 106.7 | -5.5 | 114.9 | D151 A175 L179 | D151-R177 WeakPolarHBondContact OD1-CB 3.4Å; D151-R177 PolarHBondContact OD1-N 2.94Å; D151-R177 VanDerWaalsContact OD1-N 3.07Å; D151-R177 IonicContact OD2-NH1 3.69Å; A175-R177 PolarHBondContact O-N 3.31Å; R177-L179 VanDerWaalsContact C-N 3.33Å |
| 178 | Q | 82.1 | Confident | 85 | Confident | 143 Ų | 143 | 80.5 Ų | 80.5 | 67% | 0.668 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.8 | -179.4 | -68.7 | -64.7 | -55.2 | 0 | 0 | 113.2 | D151 C176 | D151-Q178 HydrophobicContact CB-CG 4.43Å; D151-Q178 VanDerWaalsContact O-CB 3.31Å; D151-Q178 WeakPolarHBondContact O-CB 3.29Å; D151-Q178 WeakPolarHBondContact O-CG 3.38Å; C176-Q178 PolarHBondContact O-N 2.85Å |
| 179 | L | 83.4 | Confident | 84.4 | Confident | 25 Ų | 25 | 85.6 Ų | 85.6 | 13% | 0.131 | 43% | 0.433 | C | S | . | . | trans | -77.3 | 131 | -176.6 | -166.9 | 72.7 | 0 | 0 | 0 | 111 | V153 L158 L173 C176 R177 A183 I184 | V153-L179 HydrophobicContact CG1-CD1 4.38Å; L158-L179 HydrophobicContact CD1-CD1 3.46Å; L158-L179 VanDerWaalsContact CD1-CD1 3.46Å; L158-L179 HydrophobicContact CD1-CD2 4.32Å; L173-L179 HydrophobicContact CB-CD2 4.36Å; L173-L179 HydrophobicContact CD1-CD2 3.59Å; L173-L179 HydrophobicContact CG-CD2 4.44Å; C176-L179 HydrophobicContact CB-CB 4.33Å; R177-L179 VanDerWaalsContact C-N 3.33Å; L179-A183 HydrophobicContact CD1-CB 3.8Å; L179-A183 HydrophobicContact CG-CB 4.32Å; L179-I184 HydrophobicContact CD2-CD1 4.01Å; L179-I184 HydrophobicContact CD2-CG1 3.7Å; L179-I184 HydrophobicContact CG-CG1 4.41Å | ||
| 180 | K | 82.4 | Confident | 83 | Confident | 148 Ų | 148 | 86.8 Ų | 86.8 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | trans | -92 | 148.8 | 175.3 | -62.5 | -178.1 | -179 | 179.5 | 0 | 111.3 | E182 A183 | K180-E182 PolarHBondContact O-N 3.18Å; K180-E182 VanDerWaalsContact O-N 3.12Å; K180-A183 WeakPolarHBondContact O-CB 3.31Å; K180-A183 PolarHBondContact O-N 3.28Å | ||
| 181 | D | 82.3 | Confident | 82.6 | Confident | 126 Ų | 126 | 85.5 Ų | 85.5 | 67% | 0.674 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -54.3 | -34.3 | 178.1 | -60.1 | -21.8 | 0 | 0 | 0 | 112.9 | A183 I184 V185 | D181-A183 PolarHBondContact O-N 3.37Å; D181-A183 VanDerWaalsContact O-N 3.17Å; D181-I184 PolarHBondContact O-N 3.36Å; D181-V185 WeakPolarHBondContact O-CG2 3.41Å; D181-V185 PolarHBondContact O-N 3.12Å |
| 182 | E | 82.1 | Confident | 82.2 | Confident | 136 Ų | 136 | 87.2 Ų | 87.2 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58 | -28.9 | 177 | -65 | 177.4 | -171.6 | 0 | 0 | 114 | R159 K180 Y186 | R159-E182 PolarHBondContact NH2-O 2.92Å; K180-E182 PolarHBondContact O-N 3.18Å; K180-E182 VanDerWaalsContact O-N 3.12Å; E182-Y186 PolarHBondContact O-N 2.97Å |
| 183 | A | 81.4 | Confident | 81.8 | Confident | 4 Ų | 4 | 88.9 Ų | 88.9 | 3% | 0.033 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -75.3 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G155 L179 K180 D181 Y186 L187 | G155-A183 VanDerWaalsContact CA-CB 3.46Å; L179-A183 HydrophobicContact CD1-CB 3.8Å; L179-A183 HydrophobicContact CG-CB 4.32Å; K180-A183 WeakPolarHBondContact O-CB 3.31Å; K180-A183 PolarHBondContact O-N 3.28Å; D181-A183 PolarHBondContact O-N 3.37Å; D181-A183 VanDerWaalsContact O-N 3.17Å; A183-Y186 PolarHBondContact O-N 3.35Å; A183-L187 WeakPolarHBondContact O-CG 3.36Å; A183-L187 PolarHBondContact O-N 2.6Å; A183-L187 VanDerWaalsContact O-N 3.14Å |
| 184 | I | 81.4 | Confident | 81.4 | Confident | 82 Ų | 82 | 92.1 Ų | 92.1 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 178.7 | -55.1 | 176.5 | 0 | 0 | 0 | 110.2 | L179 D181 Y186 L187 A188 | L179-I184 HydrophobicContact CD2-CD1 4.01Å; L179-I184 HydrophobicContact CD2-CG1 3.7Å; L179-I184 HydrophobicContact CG-CG1 4.41Å; D181-I184 PolarHBondContact O-N 3.36Å; I184-Y186 VanDerWaalsContact C-N 3.27Å; I184-Y186 PolarHBondContact O-N 3.34Å; I184-L187 PolarHBondContact O-N 3.39Å; I184-L187 VanDerWaalsContact O-N 3.14Å; I184-A188 WeakPolarHBondContact O-CB 3.45Å; I184-A188 PolarHBondContact O-N 3.47Å |
| 185 | V | 84.6 | Confident | 81 | Confident | 75 Ų | 75 | 92.6 Ų | 92.6 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | D181 A188 Q189 | D181-V185 WeakPolarHBondContact O-CG2 3.41Å; D181-V185 PolarHBondContact O-N 3.12Å; V185-A188 PolarHBondContact O-N 3.17Å; V185-Q189 HydrophobicContact CG1-CG 4.39Å; V185-Q189 WeakPolarHBondContact O-CB 3.31Å; V185-Q189 VanDerWaalsContact O-CG 3.24Å; V185-Q189 WeakPolarHBondContact O-CG 3.09Å; V185-Q189 PolarHBondContact O-N 3.35Å; V185-Q189 VanDerWaalsContact O-N 3.07Å |
| 186 | Y | 84.1 | Confident | 80.7 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 25% | 0.251 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 177.1 | -176.1 | -87.8 | 0 | 0 | 0 | 112.4 | R159 D163 E182 A183 I184 A188 Q189 | R159-Y186 HydrophobicContact CB-CD1 4.1Å; R159-Y186 HydrophobicContact CB-CE1 3.93Å; R159-Y186 HydrophobicContact CG-CD1 3.52Å; R159-Y186 HydrophobicContact CG-CD2 4.39Å; R159-Y186 HydrophobicContact CG-CE1 3.85Å; R159-Y186 HydrophobicContact CG-CG 3.8Å; D163-Y186 PolarHBondContact OD1-OH 3.32Å; D163-Y186 PolarHBondContact OD2-OH 3.13Å; E182-Y186 PolarHBondContact O-N 2.97Å; A183-Y186 PolarHBondContact O-N 3.35Å; I184-Y186 VanDerWaalsContact C-N 3.27Å; I184-Y186 PolarHBondContact O-N 3.34Å; Y186-A188 VanDerWaalsContact C-N 3.32Å; Y186-Q189 PolarHBondContact O-N 2.67Å |
| 187 | L | 80.8 | Confident | 80.3 | Confident | 36 Ų | 36 | 101.6 Ų | 101.6 | 19% | 0.188 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 177.6 | -70.1 | 164.2 | 0 | 0 | 0 | 112.1 | L158 A162 L171 L173 A183 I184 | L158-L187 HydrophobicContact CB-CD1 4.38Å; L158-L187 HydrophobicContact CD1-CD1 4.25Å; A162-L187 HydrophobicContact CB-CD2 3.59Å; L171-L187 HydrophobicContact CD2-CD1 3.65Å; L171-L187 HydrophobicContact CD2-CD2 4.2Å; L173-L187 HydrophobicContact CD1-CD1 4.34Å; A183-L187 WeakPolarHBondContact O-CG 3.36Å; A183-L187 PolarHBondContact O-N 2.6Å; A183-L187 VanDerWaalsContact O-N 3.14Å; I184-L187 PolarHBondContact O-N 3.39Å; I184-L187 VanDerWaalsContact O-N 3.14Å |
| 188 | A | 79.4 | Confident | 80.2 | Confident | 81 Ų | 81 | 94.5 Ų | 94.5 | 67% | 0.669 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -78.6 | -18.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I184 V185 Y186 R190 | I184-A188 WeakPolarHBondContact O-CB 3.45Å; I184-A188 PolarHBondContact O-N 3.47Å; V185-A188 PolarHBondContact O-N 3.17Å; Y186-A188 VanDerWaalsContact C-N 3.32Å; A188-R190 PolarHBondContact O-N 3.49Å |
| 189 | Q | 77.5 | Confident | 80 | Confident | 148 Ų | 148 | 90.4 Ų | 90.4 | 69% | 0.692 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4 | 178.4 | -78.6 | 175.8 | -1.6 | 0 | 0 | 113.6 | V185 Y186 | V185-Q189 HydrophobicContact CG1-CG 4.39Å; V185-Q189 WeakPolarHBondContact O-CB 3.31Å; V185-Q189 VanDerWaalsContact O-CG 3.24Å; V185-Q189 WeakPolarHBondContact O-CG 3.09Å; V185-Q189 PolarHBondContact O-N 3.35Å; V185-Q189 VanDerWaalsContact O-N 3.07Å; Y186-Q189 PolarHBondContact O-N 2.67Å |
| 190 | R | 60.5 | Low | 79.7 | Confident | 160 Ų | 160 | 96.4 Ų | 96.4 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | trans | -114.3 | 0 | -175.5 | -82.4 | -179.6 | 52 | 169.8 | -9.1 | 113.2 | A162 D163 A188 | A162-R190 VanDerWaalsContact O-CZ 3.24Å; A162-R190 PolarHBondContact O-NH1 3.33Å; A162-R190 VanDerWaalsContact O-NH1 3.11Å; A162-R190 PolarHBondContact O-NH2 3.07Å; D163-R190 IonicContact OD1-CZ 3.87Å; D163-R190 IonicContact OD1-NH1 3.61Å; D163-R190 PolarHBondContact OD1-NH1 3.33Å; A188-R190 PolarHBondContact O-N 3.49Å |
Retrieved 190 of 190 residues in 48.6 ms
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