| 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 | 45.6 | Very low | 47.4 | Very low | 227 Ų | 227 | 166.5 Ų | 166.5 | 100% | 1.118 | 83% | 0.829 | S | S | * | * | 0 | 30 | 0 | -58.3 | -63 | -150.1 | 0 | 0 | 112.6 | |||||
| 2 | S | 40.3 | Very low | 46.6 | Very low | 102 Ų | 102 | 168.8 Ų | 168.8 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | 47.2 | 122.7 | 59.2 | 79.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 3 | V | 56.8 | Low | 46 | Very low | 132 Ų | 132 | 171.5 Ų | 171.5 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | S | Bend | trans | 86.1 | -19.5 | 152.5 | -112 | 0 | 0 | 0 | 0 | 124.7 | ||
| 4 | L | 48.4 | Very low | 45.3 | Very low | 155 Ų | 155 | 176.5 Ų | 176.5 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -100.9 | -32.8 | -172.9 | -87.8 | 160.4 | 0 | 0 | 0 | 117.3 | A6 | L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 2.66Å |
| 5 | F | 47.2 | Very low | 44.7 | Very low | 196 Ų | 196 | 178.8 Ų | 178.8 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | G | 310 helix | trans | -79.5 | -11.9 | -177.2 | -107 | -91 | 0 | 0 | 0 | 114.9 | K7 | F5-K7 VanDerWaalsContact C-N 3.29Å; F5-K7 PolarHBondContact O-N 3.34Å |
| 6 | A | 54.5 | Low | 44.4 | Very low | 83 Ų | 83 | 173.7 Ų | 173.7 | 69% | 0.686 | 84% | 0.836 | S | S | * | * | G | 310 helix | trans | -80.5 | -4.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L4 | L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 2.66Å |
| 7 | K | 51.7 | Low | 44 | Very low | 176 Ų | 176 | 172.9 Ų | 172.9 | 77% | 0.765 | 84% | 0.836 | S | S | * | * | G | 310 helix | trans | -98.3 | -9.1 | -176.9 | -139.4 | 166.1 | -175.5 | 177.6 | 0 | 114.3 | F5 | F5-K7 VanDerWaalsContact C-N 3.29Å; F5-K7 PolarHBondContact O-N 3.34Å |
| 8 | L | 43.7 | Very low | 43.7 | Very low | 158 Ų | 158 | 172 Ų | 172 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 2.7 | 180 | -137.7 | 86.2 | 0 | 0 | 0 | 114.8 | ||
| 9 | R | 45.7 | Very low | 43.3 | Very low | 238 Ų | 238 | 175.5 Ų | 175.5 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 8.2 | 178.4 | -106.2 | -178.3 | 169.4 | -171.8 | -2.9 | 114.7 | ||
| 10 | K | 46.6 | Very low | 43.2 | Very low | 177 Ų | 177 | 174 Ų | 174 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -101.2 | 8.2 | -176.8 | -70.3 | -173.1 | 177.3 | -177.4 | 0 | 115.3 | ||
| 11 | H | 40.5 | Very low | 43 | Very low | 187 Ų | 187 | 169.9 Ų | 169.9 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -124.1 | 15.2 | -176 | -89 | -15.4 | 0 | 0 | 0 | 116.8 | ||
| 12 | F | 38.7 | Very low | 43.1 | Very low | 195 Ų | 195 | 165 Ų | 165 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -112.2 | 6.6 | -178.1 | -119.4 | -89.3 | 0 | 0 | 0 | 116.6 | ||
| 13 | F | 38.5 | Very low | 43.3 | Very low | 203 Ų | 203 | 165 Ų | 165 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -142.4 | 70 | -176.8 | -98.6 | -90.6 | 0 | 0 | 0 | 111.9 | ||
| 14 | R | 36.7 | Very low | 42.6 | Very low | 242 Ų | 242 | 168.2 Ų | 168.2 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | -155.7 | 39.1 | 162.3 | -117.7 | 178.5 | -177.7 | -167.4 | 0.3 | 112.7 | S16 | R14-S16 PolarHBondContact O-N 2.82Å; R14-S16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | F | 36.3 | Very low | 42.4 | Very low | 211 Ų | 211 | 167.4 Ų | 167.4 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -74.3 | 91.4 | 147.4 | -98.7 | -87.8 | 0 | 0 | 0 | 105.8 | L17 | F15-L17 PolarHBondContact O-N 3.42Š| ||
| 16 | S | 39.8 | Very low | 42.5 | Very low | 97 Ų | 97 | 161 Ų | 161 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -52.1 | 111.4 | 163.1 | 53.6 | 0 | 0 | 0 | 0 | 106.2 | R14 L18 | R14-S16 PolarHBondContact O-N 2.82Å; R14-S16 VanDerWaalsContact O-N 3.08Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.73Å | ||
| 17 | L | 37.5 | Very low | 42.3 | Very low | 160 Ų | 160 | 168.7 Ų | 168.7 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -44.7 | 106.3 | 163.5 | -67.5 | 162.5 | 0 | 0 | 0 | 105.5 | F15 R19 | F15-L17 PolarHBondContact O-N 3.42Å; L17-R19 PolarHBondContact O-N 3.04Å | ||
| 18 | L | 38.9 | Very low | 42.5 | Very low | 157 Ų | 157 | 162.5 Ų | 162.5 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -53.7 | 98.2 | 156.8 | -80.5 | 164.1 | 0 | 0 | 0 | 102.9 | S16 I20 | S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.73Å; L18-I20 PolarHBondContact O-N 3.31Å | ||
| 19 | R | 35.4 | Very low | 43.2 | Very low | 238 Ų | 238 | 156.9 Ų | 156.9 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | trans | -61.5 | 86.1 | 166.7 | -93.7 | -175.8 | 172.1 | -175.6 | -0.4 | 103.9 | L17 S21 | L17-R19 PolarHBondContact O-N 3.04Å; R19-S21 PolarHBondContact O-N 2.72Å | ||
| 20 | I | 40.9 | Very low | 43.7 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -59.1 | 99.3 | 153.7 | -60.6 | 166.8 | 0 | 0 | 0 | 102 | L18 V22 | L18-I20 PolarHBondContact O-N 3.31Å; I20-V22 PolarHBondContact O-N 3.23Å | ||
| 21 | S | 39 | Very low | 44.2 | Very low | 88 Ų | 88 | 152.3 Ų | 152.3 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | trans | -59.9 | 99.1 | 168.9 | 67 | 0 | 0 | 0 | 0 | 104.5 | R19 R23 | R19-S21 PolarHBondContact O-N 2.72Å; S21-R23 PolarHBondContact O-N 3Å | ||
| 22 | V | 49.1 | Very low | 45.2 | Very low | 123 Ų | 123 | 148 Ų | 148 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | trans | -57.7 | 99 | 164 | 175.3 | 0 | 0 | 0 | 0 | 103.4 | I20 K24 | I20-V22 PolarHBondContact O-N 3.23Å; V22-K24 VanDerWaalsContact C-N 3.26Å; V22-K24 PolarHBondContact O-N 3.38Å | ||
| 23 | R | 42.9 | Very low | 46.2 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 39% | 0.392 | 69% | 0.687 | S | S | . | * | trans | -62.7 | 98 | 179.5 | -72.8 | -173.7 | 177 | -175.7 | 1.7 | 104.8 | S21 H25 D52 | S21-R23 PolarHBondContact O-N 3Å; R23-H25 VanDerWaalsContact C-N 3.27Å; R23-H25 PolarHBondContact O-N 3.02Å; R23-H25 PolarHBondContact O-ND1 3.32Å; R23-H25 VanDerWaalsContact O-ND1 3.15Å; R23-D52 IonicContact NH1-OD1 3.96Å | ||
| 24 | K | 42.2 | Very low | 47.6 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | trans | -53.9 | 104.2 | 165.8 | -64 | -171 | -178.2 | -176.2 | 0 | 104.1 | V22 A26 | V22-K24 VanDerWaalsContact C-N 3.26Å; V22-K24 PolarHBondContact O-N 3.38Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.45Å | ||
| 25 | H | 44.6 | Very low | 49.6 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | trans | -54.6 | 110 | 165.3 | -71 | 36.5 | 0 | 0 | 0 | 102.9 | R23 R27 | R23-H25 VanDerWaalsContact C-N 3.27Å; R23-H25 PolarHBondContact O-N 3.02Å; R23-H25 PolarHBondContact O-ND1 3.32Å; R23-H25 VanDerWaalsContact O-ND1 3.15Å; H25-R27 PolarHBondContact O-N 3.44Å | ||
| 26 | A | 48.5 | Very low | 51.7 | Low | 63 Ų | 63 | 131.6 Ų | 131.6 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | trans | -55.7 | 119.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 103.7 | K24 I28 | K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 3.45Å; A26-I28 HydrophobicContact CB-CD1 4.3Å; A26-I28 HydrophobicContact CB-CG1 3.69Å; A26-I28 WeakPolarHBondContact O-CG1 3.28Å; A26-I28 PolarHBondContact O-N 3.17Å | ||
| 27 | R | 52 | Low | 53.7 | Low | 244 Ų | 244 | 133.1 Ų | 133.1 | 92% | 0.921 | 62% | 0.619 | S | S | * | * | trans | -66.8 | 76.3 | 164.8 | -76.3 | -170.2 | -69.3 | 170.6 | -2.8 | 105.3 | H25 P29 | H25-R27 PolarHBondContact O-N 3.44Å; R27-P29 WeakPolarHBondContact O-CD 3.33Å | ||
| 28 | I | 56.2 | Low | 55.8 | Low | 46 Ų | 46 | 126.2 Ų | 126.2 | 24% | 0.236 | 58% | 0.584 | C | S | . | * | trans | -68.7 | 119.4 | 177.3 | -58.3 | 157.7 | 0 | 0 | 0 | 103.4 | A26 H30 E32 | A26-I28 HydrophobicContact CB-CD1 4.3Å; A26-I28 HydrophobicContact CB-CG1 3.69Å; A26-I28 WeakPolarHBondContact O-CG1 3.28Å; A26-I28 PolarHBondContact O-N 3.17Å; I28-H30 PolarHBondContact O-N 3.44Å; I28-E32 HydrophobicContact CG2-CB 4.07Å | ||
| 29 | P | 56.6 | Low | 57.9 | Low | 40 Ų | 40 | 125 Ų | 125 | 26% | 0.26 | 59% | 0.586 | S | S | . | * | trans | -57.8 | 135.8 | 176.1 | 21.4 | -28.2 | 0 | 0 | 0 | 108.8 | R27 W31 E32 | R27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-W31 HydrophobicContact CB-CD2 3.51Å; P29-W31 HydrophobicContact CB-CE3 3.78Å; P29-W31 HydrophobicContact CB-CG 4.2Å; P29-W31 HydrophobicContact CB-CH2 3.52Å; P29-W31 HydrophobicContact CB-CZ2 3.22Å; P29-W31 HydrophobicContact CB-CZ3 3.78Å; P29-W31 HydrophobicContact CG-CD2 4.39Å; P29-W31 HydrophobicContact CG-CZ2 3.94Å; P29-W31 PolarHBondContact O-N 2.82Å; P29-E32 HydrophobicContact CG-CB 4.19Å; P29-E32 PolarHBondContact O-N 2.68Å | ||
| 30 | H | 57.1 | Low | 60.2 | Low | 141 Ų | 141 | 122 Ų | 122 | 65% | 0.653 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -11.1 | -172.4 | 70.5 | 74.2 | 0 | 0 | 0 | 113.7 | I28 Y33 | I28-H30 PolarHBondContact O-N 3.44Å; H30-Y33 WeakPolarHBondContact O-CE2 3.39Å; H30-Y33 PolarHBondContact O-OH 3.11Å |
| 31 | W | 57.7 | Low | 62 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 67% | 0.674 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -11.7 | 176.8 | 57 | 82.4 | 0 | 0 | 0 | 113.9 | P29 Y33 | P29-W31 HydrophobicContact CB-CD2 3.51Å; P29-W31 HydrophobicContact CB-CE3 3.78Å; P29-W31 HydrophobicContact CB-CG 4.2Å; P29-W31 HydrophobicContact CB-CH2 3.52Å; P29-W31 HydrophobicContact CB-CZ2 3.22Å; P29-W31 HydrophobicContact CB-CZ3 3.78Å; P29-W31 HydrophobicContact CG-CD2 4.39Å; P29-W31 HydrophobicContact CG-CZ2 3.94Å; P29-W31 PolarHBondContact O-N 2.82Å; W31-Y33 VanDerWaalsContact C-N 3.32Å; W31-Y33 WeakPolarHBondContact O-CD2 3.4Å; W31-Y33 PolarHBondContact O-N 3.47Å |
| 32 | E | 59.9 | Low | 64.1 | Low | 95 Ų | 95 | 117.1 Ų | 117.1 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | trans | -84.6 | 75.4 | -178.6 | -158.3 | 173.4 | -175.7 | 0 | 0 | 110.9 | I28 P29 H34 | I28-E32 HydrophobicContact CG2-CB 4.07Å; P29-E32 HydrophobicContact CG-CB 4.19Å; P29-E32 PolarHBondContact O-N 2.68Å; E32-H34 PolarHBondContact O-N 2.76Å; E32-H34 VanDerWaalsContact O-N 3.09Å | ||
| 33 | Y | 60.2 | Low | 65.6 | Low | 194 Ų | 194 | 115.3 Ų | 115.3 | 76% | 0.761 | 54% | 0.543 | S | S | * | . | trans | -82 | 40.5 | 177.5 | -62 | -75 | 0 | 0 | 0 | 113 | H30 W31 | H30-Y33 WeakPolarHBondContact O-CE2 3.39Å; H30-Y33 PolarHBondContact O-OH 3.11Å; W31-Y33 VanDerWaalsContact C-N 3.32Å; W31-Y33 WeakPolarHBondContact O-CD2 3.4Å; W31-Y33 PolarHBondContact O-N 3.47Å | ||
| 34 | H | 68.5 | Low | 67.5 | Low | 134 Ų | 134 | 112.7 Ų | 112.7 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -96.1 | 132.8 | -174.5 | -64 | -93.9 | 0 | 0 | 0 | 112.1 | E32 R36 | E32-H34 PolarHBondContact O-N 2.76Å; E32-H34 VanDerWaalsContact O-N 3.09Å; H34-R36 PolarHBondContact O-N 2.91Å |
| 35 | I | 78.5 | Confident | 69.5 | Low | 79 Ų | 79 | 104.9 Ų | 104.9 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 121.1 | 164.7 | -62.5 | 171.6 | 0 | 0 | 0 | 107.1 | F37 K44 | I35-F37 HydrophobicContact CB-CE2 4.32Å; I35-F37 HydrophobicContact CG2-CE2 3.83Å; I35-F37 HydrophobicContact CG2-CZ 3.92Å; I35-K44 HydrophobicContact CG2-CD 3.98Å; I35-K44 HydrophobicContact CG2-CG 3.89Å |
| 36 | R | 79.7 | Confident | 71.4 | Confident | 100 Ų | 100 | 98.7 Ų | 98.7 | 38% | 0.377 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.4 | -177.7 | -64.5 | -176.5 | -176 | 166.6 | 3.7 | 111.2 | H34 K44 V45 | H34-R36 PolarHBondContact O-N 2.91Å; R36-K44 CarbonylContact O-C 3.58Å; R36-K44 WeakPolarHBondContact O-CA 3.25Å; R36-V45 HydrophobicContact CB-CB 4.04Å; R36-V45 PolarHBondContact O-N 3.35Å |
| 37 | F | 82.6 | Confident | 73.2 | Confident | 129 Ų | 129 | 97 Ų | 97 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.3 | 170.3 | -64.4 | -88.8 | 0 | 0 | 0 | 109.1 | I35 G42 R43 K44 | I35-F37 HydrophobicContact CB-CE2 4.32Å; I35-F37 HydrophobicContact CG2-CE2 3.83Å; I35-F37 HydrophobicContact CG2-CZ 3.92Å; F37-G42 WeakPolarHBondContact CD1-O 3.3Å; F37-R43 CarbonylContact C-O 3.51Å; F37-R43 VanDerWaalsContact CA-O 3.28Å; F37-R43 WeakPolarHBondContact CA-O 3.05Å; F37-K44 HydrophobicContact CD1-CB 4.26Å; F37-K44 HydrophobicContact CE1-CB 4.06Å |
| 38 | S | 80.9 | Confident | 74.7 | Confident | 16 Ų | 16 | 90 Ų | 90 | 11% | 0.112 | 44% | 0.435 | C | S | . | . | trans | -67.8 | 131.1 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | E40 G42 R43 | S38-E40 PolarHBondContact O-N 3.12Å; S38-G42 WeakPolarHBondContact O-CA 3.13Å; S38-G42 PolarHBondContact O-N 3.4Å; S38-R43 PolarHBondContact N-O 3.03Å | ||
| 39 | P | 82.6 | Confident | 76.2 | Confident | 131 Ų | 131 | 90.2 Ų | 90.2 | 85% | 0.851 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -26.2 | 176.6 | 27.7 | -33.8 | 0 | 0 | 0 | 112.4 | ||
| 40 | E | 83.6 | Confident | 77.8 | Confident | 175 Ų | 175 | 88.6 Ų | 88.6 | 82% | 0.818 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -51.8 | -178.5 | -63 | 175.9 | -179.9 | 0 | 0 | 111.3 | S38 | S38-E40 PolarHBondContact O-N 3.12Š|
| 41 | D | 80.1 | Confident | 79.4 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 43% | 0.428 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -14.9 | -174 | -56.9 | -64.2 | 0 | 0 | 0 | 113.7 | R43 S149 | D41-R43 HydrophobicContact CB-CB 4.08Å; D41-R43 HydrophobicContact CB-CG 3.76Å; D41-R43 PolarHBondContact O-N 3.13Å; D41-S149 WeakPolarHBondContact OD2-CB 3.37Å |
| 42 | G | 81.7 | Confident | 80.9 | Confident | 52 Ų | 52 | 79.8 Ų | 79.8 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | trans | 64 | 6.4 | -168 | 0 | 0 | 0 | 0 | 0 | 114 | F37 S38 | F37-G42 WeakPolarHBondContact CD1-O 3.3Å; S38-G42 WeakPolarHBondContact O-CA 3.13Å; S38-G42 PolarHBondContact O-N 3.4Å | ||
| 43 | R | 81 | Confident | 82.5 | Confident | 85 Ų | 85 | 83.2 Ų | 83.2 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 150.4 | -176.6 | -63.6 | -177.9 | -165.8 | -173.9 | 3.9 | 111.3 | F37 S38 D41 V45 E147 | F37-R43 CarbonylContact C-O 3.51Å; F37-R43 VanDerWaalsContact CA-O 3.28Å; F37-R43 WeakPolarHBondContact CA-O 3.05Å; S38-R43 PolarHBondContact N-O 3.03Å; D41-R43 HydrophobicContact CB-CB 4.08Å; D41-R43 HydrophobicContact CB-CG 3.76Å; D41-R43 PolarHBondContact O-N 3.13Å; R43-V45 PolarHBondContact O-N 2.82Å; R43-E147 WeakPolarHBondContact CD-O 3.25Å; R43-E147 PolarHBondContact NH1-O 3.06Å |
| 44 | K | 82.6 | Confident | 84.1 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 127.6 | 177.7 | -178.8 | 178.6 | 174.3 | -168.2 | 0 | 110.6 | I35 R36 F37 K100 V102 | I35-K44 HydrophobicContact CG2-CD 3.98Å; I35-K44 HydrophobicContact CG2-CG 3.89Å; R36-K44 CarbonylContact O-C 3.58Å; R36-K44 WeakPolarHBondContact O-CA 3.25Å; F37-K44 HydrophobicContact CD1-CB 4.26Å; F37-K44 HydrophobicContact CE1-CB 4.06Å; K44-K100 WeakPolarHBondContact CE-O 3.46Å; K44-K100 VanDerWaalsContact NZ-C 3.3Å; K44-K100 PolarHBondContact NZ-O 3.43Å; K44-V102 PolarHBondContact NZ-O 3.18Å |
| 45 | V | 84.1 | Confident | 85.3 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 21% | 0.212 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124 | 174 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | R36 R43 | R36-V45 HydrophobicContact CB-CB 4.04Å; R36-V45 PolarHBondContact O-N 3.35Å; R43-V45 PolarHBondContact O-N 2.82Å |
| 46 | P | 85.5 | Confident | 86 | Confident | 7 Ų | 7 | 72 Ų | 72 | 5% | 0.045 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 145 | 178.7 | 30.1 | -37.1 | 0 | 0 | 0 | 111.2 | K48 L51 E148 | P46-K48 PolarHBondContact O-N 3.06Å; P46-L51 HydrophobicContact CB-CD1 4.16Å; P46-L51 HydrophobicContact CG-CD1 4.21Å; P46-E148 WeakPolarHBondContact CG-OE2 3.46Å |
| 47 | C | 85.9 | Confident | 86.6 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | -68.2 | 113 | 171.1 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | D49 V50 L51 L101 | C47-D49 VanDerWaalsContact C-N 3.29Å; C47-D49 PolarHBondContact O-N 3.37Å; C47-V50 HydrophobicContact CB-CB 4.4Å; C47-V50 HydrophobicContact CB-CG2 3.91Å; C47-V50 WeakPolarHBondContact O-CB 3.34Å; C47-V50 PolarHBondContact O-N 3.08Å; C47-V50 VanDerWaalsContact O-N 3.12Å; C47-L51 PolarHBondContact O-N 3.45Å; C47-L101 HydrophobicContact CB-CB 4.11Å; C47-L101 PolarHBondContact N-O 3.2Å | ||
| 48 | K | 83.4 | Confident | 86.8 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | -178.8 | -67.3 | -175.5 | 179.6 | -179.2 | 0 | 112.4 | P46 V50 L51 D52 | P46-K48 PolarHBondContact O-N 3.06Å; K48-V50 PolarHBondContact O-N 3.01Å; K48-L51 PolarHBondContact O-N 3.03Å; K48-D52 PolarHBondContact O-N 3.43Å |
| 49 | D | 88 | Confident | 87 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 177.4 | -67.5 | -48.5 | 0 | 0 | 0 | 112.8 | C47 R53 | C47-D49 VanDerWaalsContact C-N 3.29Å; C47-D49 PolarHBondContact O-N 3.37Å; D49-R53 WeakPolarHBondContact O-CB 3.31Å; D49-R53 VanDerWaalsContact O-CG 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.09Å; D49-R53 PolarHBondContact O-N 3.22Å |
| 50 | V | 91 | Very high | 87.3 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -46.1 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | C47 K48 D52 R53 F54 W62 L98 L101 V102 | C47-V50 HydrophobicContact CB-CB 4.4Å; C47-V50 HydrophobicContact CB-CG2 3.91Å; C47-V50 WeakPolarHBondContact O-CB 3.34Å; C47-V50 PolarHBondContact O-N 3.08Å; C47-V50 VanDerWaalsContact O-N 3.12Å; K48-V50 PolarHBondContact O-N 3.01Å; V50-D52 VanDerWaalsContact C-N 3.3Å; V50-D52 PolarHBondContact O-N 3.12Å; V50-R53 PolarHBondContact O-N 3.33Å; V50-F54 HydrophobicContact CG1-CD2 4.27Å; V50-F54 WeakPolarHBondContact O-CB 3.46Å; V50-F54 PolarHBondContact O-N 3.35Å; V50-W62 HydrophobicContact CG1-CH2 3.99Å; V50-W62 HydrophobicContact CG1-CZ3 3.99Å; V50-L98 HydrophobicContact CB-CD2 4.37Å; V50-L98 HydrophobicContact CG1-CB 4.49Å; V50-L98 HydrophobicContact CG1-CD2 3.69Å; V50-L98 HydrophobicContact CG2-CD2 3.78Å; V50-L101 HydrophobicContact CG2-CB 4.13Å; V50-L101 HydrophobicContact CG2-CD1 3.84Å; V50-V102 HydrophobicContact CB-CG2 3.91Å; V50-V102 HydrophobicContact CG1-CG2 3.42Å; V50-V102 VanDerWaalsContact CG1-CG2 3.42Å |
| 51 | L | 89.1 | Confident | 87.6 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | -179.6 | -61.3 | 177.3 | 0 | 0 | 0 | 112.3 | P46 C47 K48 V102 W106 | P46-L51 HydrophobicContact CB-CD1 4.16Å; P46-L51 HydrophobicContact CG-CD1 4.21Å; C47-L51 PolarHBondContact O-N 3.45Å; K48-L51 PolarHBondContact O-N 3.03Å; L51-V102 HydrophobicContact CD2-CG1 4.14Å; L51-V102 HydrophobicContact CD2-CG2 4.42Å; L51-W106 HydrophobicContact CD1-CD2 4.16Å; L51-W106 HydrophobicContact CD1-CH2 4.2Å; L51-W106 HydrophobicContact CD1-CZ2 3.66Å; L51-W106 HydrophobicContact CD2-CB 4.36Å; L51-W106 HydrophobicContact CD2-CD2 3.53Å; L51-W106 HydrophobicContact CD2-CE3 3.81Å; L51-W106 HydrophobicContact CD2-CG 3.76Å; L51-W106 HydrophobicContact CD2-CZ2 4.49Å; L51-W106 HydrophobicContact CD2-CZ3 4.4Å |
| 52 | D | 89.9 | Confident | 88.3 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 51% | 0.508 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.5 | -27.5 | -178 | -66.9 | -18.3 | 0 | 0 | 0 | 112.5 | R23 K48 V50 | R23-D52 IonicContact NH1-OD1 3.96Å; K48-D52 PolarHBondContact O-N 3.43Å; V50-D52 VanDerWaalsContact C-N 3.3Å; V50-D52 PolarHBondContact O-N 3.12Å |
| 53 | R | 92.8 | Very high | 88.9 | Confident | 167 Ų | 167 | 48.1 Ų | 48.1 | 63% | 0.63 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -106.2 | -27.7 | -172.6 | -62.4 | 177.7 | -168.9 | -147.1 | 5 | 114.8 | D49 V50 | D49-R53 WeakPolarHBondContact O-CB 3.31Å; D49-R53 VanDerWaalsContact O-CG 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.09Å; D49-R53 PolarHBondContact O-N 3.22Å; V50-R53 PolarHBondContact O-N 3.33Å |
| 54 | F | 95.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 23% | 0.228 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.7 | -172.8 | -57.8 | -97.7 | 0 | 0 | 0 | 111.1 | V50 W62 I63 R64 L98 | V50-F54 HydrophobicContact CG1-CD2 4.27Å; V50-F54 WeakPolarHBondContact O-CB 3.46Å; V50-F54 PolarHBondContact O-N 3.35Å; F54-W62 HydrophobicContact CB-CE3 3.56Å; F54-W62 HydrophobicContact CB-CZ3 3.99Å; F54-I63 WeakPolarHBondContact CA-O 2.75Å; F54-R64 HydrophobicContact CD1-CB 3.72Å; F54-R64 HydrophobicContact CE1-CB 3.8Å; F54-R64 HydrophobicContact CE1-CG 4.4Å; F54-L98 HydrophobicContact CD1-CD1 3.94Å; F54-L98 HydrophobicContact CD2-CD2 4.21Å; F54-L98 HydrophobicContact CE1-CD1 4.18Å; F54-L98 HydrophobicContact CE2-CD2 4.18Å; F54-L98 HydrophobicContact CG-CD1 4.26Å; F54-L98 HydrophobicContact CG-CD2 4.48Å; F54-L98 HydrophobicContact CZ-CD2 4.41Å |
| 55 | K | 93.6 | Very high | 90.2 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.2 | 172.1 | 175.5 | 73.4 | 173.7 | -166.8 | 0 | 109.3 | W62 I63 D115 | K55-W62 WeakPolarHBondContact O-CA 3.23Å; K55-I63 PolarHBondContact N-O 2.88Å; K55-I63 PolarHBondContact O-N 3.19Å; K55-D115 IonicContact NZ-OD2 3.74Å |
| 56 | R | 92.6 | Very high | 90.7 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.3 | 173.9 | -178.3 | 59 | 167.4 | -154.8 | -11.8 | 110.2 | G60 M61 W62 D99 | R56-G60 VanDerWaalsContact CZ-CA 3.46Å; R56-G60 PolarHBondContact NH1-O 3.38Å; R56-M61 WeakPolarHBondContact CD-O 3.08Å; R56-W62 HydrophobicContact CB-CD2 4.27Å; R56-W62 HydrophobicContact CB-CE3 3.9Å; R56-W62 HydrophobicContact CB-CH2 3.85Å; R56-W62 HydrophobicContact CB-CZ2 4.2Å; R56-W62 HydrophobicContact CB-CZ3 3.71Å; R56-W62 HydrophobicContact CG-CH2 4.41Å; R56-W62 HydrophobicContact CG-CZ2 4.31Å; R56-D99 IonicContact CZ-OD1 3.08Å; R56-D99 IonicContact CZ-OD2 3.43Å; R56-D99 VanDerWaalsContact NH1-CG 3.32Å; R56-D99 IonicContact NH1-OD1 2.67Å; R56-D99 PolarHBondContact NH1-OD1 3.31Å; R56-D99 IonicContact NH1-OD2 3.17Å; R56-D99 PolarHBondContact NH1-OD2 3.44Å; R56-D99 VanDerWaalsContact NH1-OD2 3.17Å; R56-D99 VanDerWaalsContact NH2-CG 3.34Å; R56-D99 IonicContact NH2-OD1 3.18Å; R56-D99 PolarHBondContact NH2-OD1 3.33Å; R56-D99 IonicContact NH2-OD2 2.82Å; R56-D99 PolarHBondContact NH2-OD2 2.63Å |
| 57 | L | 91.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | trans | -97 | 158 | 167.2 | -55.2 | 99.6 | 0 | 0 | 0 | 111.7 | T59 G60 M61 I63 Y120 | L57-T59 PolarHBondContact O-N 3.1Å; L57-G60 PolarHBondContact O-N 2.82Å; L57-M61 HydrophobicContact CD1-CB 3.89Å; L57-M61 WeakPolarHBondContact CD1-O 3.07Å; L57-M61 PolarHBondContact N-O 2.8Å; L57-I63 HydrophobicContact CD1-CB 4.36Å; L57-I63 HydrophobicContact CD1-CD1 3.3Å; L57-I63 HydrophobicContact CD1-CG1 3.45Å; L57-I63 VanDerWaalsContact CD1-CG1 3.45Å; L57-I63 HydrophobicContact CD2-CD1 3.77Å; L57-I63 HydrophobicContact CG-CD1 3.88Å; L57-Y120 VanDerWaalsContact CD2-CB 3.43Å; L57-Y120 WeakPolarHBondContact CD2-O 3.22Å | ||
| 58 | N | 88.5 | Confident | 91.5 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.5 | 179.3 | -62.6 | -14.1 | 0 | 0 | 0 | 112.6 | G60 P109 K110 N121 | N58-G60 PolarHBondContact O-N 3.47Å; N58-G60 VanDerWaalsContact O-N 3.13Å; N58-P109 HydrophobicContact CB-CB 4.37Å; N58-P109 VanDerWaalsContact OD1-CA 3.28Å; N58-P109 WeakPolarHBondContact OD1-CA 3.41Å; N58-K110 PolarHBondContact ND2-O 3.07Å; N58-K110 PolarHBondContact OD1-N 3.26Å; N58-N121 HydrophobicContact CB-CB 3.9Å; N58-N121 PolarHBondContact N-OD1 2.89Å; N58-N121 VanDerWaalsContact N-OD1 3.12Å |
| 59 | T | 85.1 | Confident | 91.9 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.4 | 174.4 | 65.8 | 0 | 0 | 0 | 0 | 114 | L57 M61 Y120 N121 R123 | L57-T59 PolarHBondContact O-N 3.1Å; T59-M61 HydrophobicContact CG2-CE 4.23Å; T59-M61 VanDerWaalsContact OG1-CE 3.23Å; T59-M61 WeakPolarHBondContact OG1-CE 3.48Å; T59-M61 PolarHBondContact OG1-N 3.11Å; T59-Y120 WeakPolarHBondContact CG2-O 3.35Å; T59-N121 WeakPolarHBondContact CG2-O 3.31Å; T59-N121 PolarHBondContact N-O 3.13Å; T59-R123 HydrophobicContact CG2-CG 3.58Å |
| 60 | G | 87 | Confident | 92.2 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 88.5 | 15.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R56 L57 N58 | R56-G60 VanDerWaalsContact CZ-CA 3.46Å; R56-G60 PolarHBondContact NH1-O 3.38Å; L57-G60 PolarHBondContact O-N 2.82Å; N58-G60 PolarHBondContact O-N 3.47Å; N58-G60 VanDerWaalsContact O-N 3.13Å |
| 61 | M | 90.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | trans | -94.2 | 155.5 | 174 | -66.2 | -173.8 | -75.3 | 0 | 0 | 110.1 | R56 L57 T59 R123 | R56-M61 WeakPolarHBondContact CD-O 3.08Å; L57-M61 HydrophobicContact CD1-CB 3.89Å; L57-M61 WeakPolarHBondContact CD1-O 3.07Å; L57-M61 PolarHBondContact N-O 2.8Å; T59-M61 HydrophobicContact CG2-CE 4.23Å; T59-M61 VanDerWaalsContact OG1-CE 3.23Å; T59-M61 WeakPolarHBondContact OG1-CE 3.48Å; T59-M61 PolarHBondContact OG1-N 3.11Å; M61-R123 HydrophobicContact CE-CG 4.3Å; M61-R123 PolarHBondContact SD-NH2 3.31Å | ||
| 62 | W | 94 | Very high | 92.7 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.8 | 169.8 | -69.5 | 91.7 | 0 | 0 | 0 | 109.4 | V50 F54 K55 R56 T89 C90 L98 D99 V102 | V50-W62 HydrophobicContact CG1-CH2 3.99Å; V50-W62 HydrophobicContact CG1-CZ3 3.99Å; F54-W62 HydrophobicContact CB-CE3 3.56Å; F54-W62 HydrophobicContact CB-CZ3 3.99Å; K55-W62 WeakPolarHBondContact O-CA 3.23Å; R56-W62 HydrophobicContact CB-CD2 4.27Å; R56-W62 HydrophobicContact CB-CE3 3.9Å; R56-W62 HydrophobicContact CB-CH2 3.85Å; R56-W62 HydrophobicContact CB-CZ2 4.2Å; R56-W62 HydrophobicContact CB-CZ3 3.71Å; R56-W62 HydrophobicContact CG-CH2 4.41Å; R56-W62 HydrophobicContact CG-CZ2 4.31Å; W62-T89 WeakPolarHBondContact O-CA 3.4Å; W62-C90 HydrophobicContact CB-CB 4.04Å; W62-C90 PolarHBondContact O-N 2.81Å; W62-L98 HydrophobicContact CB-CD1 3.76Å; W62-L98 HydrophobicContact CD2-CB 4.08Å; W62-L98 HydrophobicContact CD2-CD1 3.79Å; W62-L98 HydrophobicContact CE3-CD1 4.4Å; W62-L98 HydrophobicContact CG-CB 4.29Å; W62-L98 HydrophobicContact CG-CD1 3.5Å; W62-L98 HydrophobicContact CZ2-CB 3.99Å; W62-D99 PolarHBondContact NE1-OD1 3.42Å; W62-V102 HydrophobicContact CH2-CB 4.37Å; W62-V102 HydrophobicContact CH2-CG1 4.48Å; W62-V102 HydrophobicContact CH2-CG2 3.88Å; W62-V102 HydrophobicContact CZ2-CB 4.48Å; W62-V102 HydrophobicContact CZ2-CG2 4.25Å |
| 63 | I | 95.5 | Very high | 92.9 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.8 | 172.7 | -71.5 | 164.4 | 0 | 0 | 0 | 108.7 | F54 K55 L57 H87 T89 Y117 | F54-I63 WeakPolarHBondContact CA-O 2.75Å; K55-I63 PolarHBondContact N-O 2.88Å; K55-I63 PolarHBondContact O-N 3.19Å; L57-I63 HydrophobicContact CD1-CB 4.36Å; L57-I63 HydrophobicContact CD1-CD1 3.3Å; L57-I63 HydrophobicContact CD1-CG1 3.45Å; L57-I63 VanDerWaalsContact CD1-CG1 3.45Å; L57-I63 HydrophobicContact CD2-CD1 3.77Å; L57-I63 HydrophobicContact CG-CD1 3.88Å; I63-H87 HydrophobicContact CG2-CB 3.67Å; I63-T89 HydrophobicContact CG1-CG2 4.46Å; I63-Y117 HydrophobicContact CD1-CD1 4.06Å; I63-Y117 HydrophobicContact CD1-CE1 4.18Å |
| 64 | R | 95.7 | Very high | 93 | Very high | 70 Ų | 70 | 63 Ų | 63 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 160.1 | 171.1 | 61.5 | 169.8 | -175.1 | 70.6 | 2.1 | 111.3 | F54 N66 H87 V88 | F54-R64 HydrophobicContact CD1-CB 3.72Å; F54-R64 HydrophobicContact CE1-CB 3.8Å; F54-R64 HydrophobicContact CE1-CG 4.4Å; R64-N66 PolarHBondContact NH1-OD1 3.32Å; R64-H87 WeakPolarHBondContact O-CA 3.26Å; R64-H87 PolarHBondContact O-ND1 3.48Å; R64-V88 PolarHBondContact N-O 3.42Å; R64-V88 PolarHBondContact O-N 3.35Å |
| 65 | A | 95.5 | Very high | 93 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 25% | 0.248 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 157.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R69 | A65-R69 VanDerWaalsContact CB-NH1 3.29Å |
| 66 | N | 95 | Very high | 93.1 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 134.3 | 168.6 | -77.1 | -30.9 | 0 | 0 | 0 | 110.7 | R64 S83 V88 | R64-N66 PolarHBondContact NH1-OD1 3.32Å; N66-S83 PolarHBondContact ND2-O 2.64Å; N66-S83 VanDerWaalsContact ND2-O 3.13Å; N66-V88 WeakPolarHBondContact OD1-CG2 3.12Å |
| 67 | P | 93.4 | Very high | 93.3 | Very high | 108 Ų | 108 | 68.3 Ų | 68.3 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 144.3 | 179.2 | 27.9 | -34.2 | 0 | 0 | 0 | 110.3 | R69 | P67-R69 VanDerWaalsContact C-N 3.27Å; P67-R69 PolarHBondContact O-N 3.04Å |
| 68 | G | 93.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 74.6 Ų | 74.6 | 33% | 0.33 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 11.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N70 T71 K76 W80 | G68-N70 PolarHBondContact O-N 3.03Å; G68-T71 WeakPolarHBondContact CA-OG1 3.4Å; G68-T71 PolarHBondContact O-N 3.18Å; G68-T71 PolarHBondContact O-OG1 3.1Å; G68-K76 PolarHBondContact O-NZ 3.18Å; G68-W80 WeakPolarHBondContact O-CH2 3.4Å |
| 69 | R | 93.2 | Very high | 93.8 | Very high | 82 Ų | 82 | 76.4 Ų | 76.4 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.3 | 179 | 63.6 | 169 | -174.6 | -163.4 | 1 | 115.1 | A65 P67 R73 S84 | A65-R69 VanDerWaalsContact CB-NH1 3.29Å; P67-R69 VanDerWaalsContact C-N 3.27Å; P67-R69 PolarHBondContact O-N 3.04Å; R69-R73 PolarHBondContact O-NH1 3.45Å; R69-S84 VanDerWaalsContact CB-O 3.22Å; R69-S84 WeakPolarHBondContact CB-O 3.36Å |
| 70 | N | 93.1 | Very high | 94.3 | Very high | 120 Ų | 120 | 79.4 Ų | 79.4 | 64% | 0.642 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -5.8 | -178.9 | -66.5 | 2.8 | 0 | 0 | 0 | 113.4 | G68 | G68-N70 PolarHBondContact O-N 3.03Š|
| 71 | T | 95.2 | Very high | 94.7 | Very high | 80 Ų | 80 | 79.5 Ų | 79.5 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -89.8 | 140.5 | -176.5 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | G68 R73 K76 | G68-T71 WeakPolarHBondContact CA-OG1 3.4Å; G68-T71 PolarHBondContact O-N 3.18Å; G68-T71 PolarHBondContact O-OG1 3.1Å; T71-R73 PolarHBondContact O-N 2.76Å; T71-K76 WeakPolarHBondContact O-CE 3.42Å; T71-K76 PolarHBondContact O-NZ 3.17Å; T71-K76 PolarHBondContact OG1-NZ 2.85Å |
| 72 | K | 95.4 | Very high | 94.9 | Very high | 138 Ų | 138 | 81.2 Ų | 81.2 | 60% | 0.6 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 46.2 | 39.9 | 169 | -62.6 | -179.2 | 176.7 | -175.1 | 0 | 114.3 | Y74 L75 K76 | K72-Y74 HydrophobicContact CB-CE1 4.48Å; K72-Y74 PolarHBondContact O-N 3.17Å; K72-L75 HydrophobicContact CB-CD1 4.22Å; K72-L75 HydrophobicContact CD-CD1 4.18Å; K72-L75 HydrophobicContact CG-CD1 4.44Å; K72-L75 PolarHBondContact O-N 3.41Å; K72-L75 VanDerWaalsContact O-N 3.13Å; K72-K76 WeakPolarHBondContact O-CG 3.17Å |
| 73 | R | 94.9 | Very high | 95 | Very high | 82 Ų | 82 | 83.8 Ų | 83.8 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -59.1 | -35.9 | -174.6 | -71.6 | -176.2 | 69.1 | 91.2 | -1.1 | 112.5 | R69 T71 L75 K76 L81 | R69-R73 PolarHBondContact O-NH1 3.45Å; T71-R73 PolarHBondContact O-N 2.76Å; R73-L75 PolarHBondContact O-N 2.97Å; R73-L75 VanDerWaalsContact O-N 3.14Å; R73-K76 PolarHBondContact O-N 3Å; R73-K76 VanDerWaalsContact O-N 3.13Å; R73-L81 HydrophobicContact CB-CD2 3.71Å; R73-L81 HydrophobicContact CG-CD2 3.92Å; R73-L81 PolarHBondContact NH2-O 3.02Å |
| 74 | Y | 94.2 | Very high | 95 | Very high | 190 Ų | 190 | 83.1 Ų | 83.1 | 75% | 0.745 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -63.5 | -16.5 | 178.9 | 68.6 | -85.7 | 0 | 0 | 0 | 115 | K72 | K72-Y74 HydrophobicContact CB-CE1 4.48Å; K72-Y74 PolarHBondContact O-N 3.17Å |
| 75 | L | 96.4 | Very high | 94.9 | Very high | 113 Ų | 113 | 84.2 Ų | 84.2 | 59% | 0.592 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -96.6 | -2.5 | 178.3 | -67.4 | 173.3 | 0 | 0 | 0 | 113.2 | K72 R73 | K72-L75 HydrophobicContact CB-CD1 4.22Å; K72-L75 HydrophobicContact CD-CD1 4.18Å; K72-L75 HydrophobicContact CG-CD1 4.44Å; K72-L75 PolarHBondContact O-N 3.41Å; K72-L75 VanDerWaalsContact O-N 3.13Å; R73-L75 PolarHBondContact O-N 2.97Å; R73-L75 VanDerWaalsContact O-N 3.14Å |
| 76 | K | 95.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 88 Ų | 88 | 22% | 0.222 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -111.6 | 147.2 | -167.1 | -60.8 | 178.9 | -173.3 | 175.6 | 0 | 110.3 | G68 T71 K72 R73 W80 L81 | G68-K76 PolarHBondContact O-NZ 3.18Å; T71-K76 WeakPolarHBondContact O-CE 3.42Å; T71-K76 PolarHBondContact O-NZ 3.17Å; T71-K76 PolarHBondContact OG1-NZ 2.85Å; K72-K76 WeakPolarHBondContact O-CG 3.17Å; R73-K76 PolarHBondContact O-N 3Å; R73-K76 VanDerWaalsContact O-N 3.13Å; K76-W80 HydrophobicContact CB-CD2 4.21Å; K76-W80 HydrophobicContact CB-CE3 3.78Å; K76-W80 HydrophobicContact CB-CZ3 4.46Å; K76-W80 HydrophobicContact CD-CD2 3.67Å; K76-W80 HydrophobicContact CD-CE3 3.17Å; K76-W80 HydrophobicContact CD-CH2 3.51Å; K76-W80 HydrophobicContact CD-CZ2 3.89Å; K76-W80 HydrophobicContact CD-CZ3 3.09Å; K76-W80 HydrophobicContact CG-CD2 4.4Å; K76-W80 HydrophobicContact CG-CE3 4.06Å; K76-W80 HydrophobicContact CG-CZ3 4.37Å; K76-W80 VanDerWaalsContact NZ-CZ3 3.34Å; K76-L81 HydrophobicContact CB-CD2 4.14Å; K76-L81 HydrophobicContact CB-CG 4.48Å |
| 77 | D | 96.1 | Very high | 94.9 | Very high | 121 Ų | 121 | 90.7 Ų | 90.7 | 65% | 0.647 | 46% | 0.461 | S | S | * | . | trans | -66.2 | 148.6 | 179.7 | -51.3 | -37.1 | 0 | 0 | 0 | 111.8 | P79 W80 L81 | D77-P79 HydrophobicContact CB-CG 4.13Å; D77-W80 WeakPolarHBondContact O-CA 3.38Å; D77-W80 VanDerWaalsContact O-CB 3.29Å; D77-W80 WeakPolarHBondContact O-CB 3.45Å; D77-W80 PolarHBondContact O-N 3.48Å; D77-L81 WeakPolarHBondContact O-CG 3.29Å; D77-L81 PolarHBondContact O-N 3.05Å | ||
| 78 | E | 95.6 | Very high | 95 | Very high | 136 Ų | 136 | 87.7 Ų | 87.7 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -48.1 | -48.9 | 176.2 | -69.8 | -57.8 | 141.8 | 0 | 0 | 114.9 | W80 L81 T82 | E78-W80 PolarHBondContact O-N 3Å; E78-L81 WeakPolarHBondContact O-CB 3.03Å; E78-L81 PolarHBondContact O-N 2.67Å; E78-T82 PolarHBondContact O-N 3.26Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 3.31Å |
| 79 | P | 95.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 90.2 Ų | 90.2 | 60% | 0.597 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.5 | -31.5 | 178.3 | 23.5 | -35.5 | 0 | 0 | 0 | 113.2 | D77 S83 | D77-P79 HydrophobicContact CB-CG 4.13Å; P79-S83 WeakPolarHBondContact O-CB 3.41Å; P79-S83 PolarHBondContact O-N 3.42Å; P79-S83 VanDerWaalsContact O-N 3.09Å; P79-S83 PolarHBondContact O-OG 2.86Å |
| 80 | W | 95.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 87 Ų | 87 | 37% | 0.367 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 174.5 | -171.1 | 100.1 | 0 | 0 | 0 | 110.6 | G68 K76 D77 E78 T82 S83 S84 | G68-W80 WeakPolarHBondContact O-CH2 3.4Å; K76-W80 HydrophobicContact CB-CD2 4.21Å; K76-W80 HydrophobicContact CB-CE3 3.78Å; K76-W80 HydrophobicContact CB-CZ3 4.46Å; K76-W80 HydrophobicContact CD-CD2 3.67Å; K76-W80 HydrophobicContact CD-CE3 3.17Å; K76-W80 HydrophobicContact CD-CH2 3.51Å; K76-W80 HydrophobicContact CD-CZ2 3.89Å; K76-W80 HydrophobicContact CD-CZ3 3.09Å; K76-W80 HydrophobicContact CG-CD2 4.4Å; K76-W80 HydrophobicContact CG-CE3 4.06Å; K76-W80 HydrophobicContact CG-CZ3 4.37Å; K76-W80 VanDerWaalsContact NZ-CZ3 3.34Å; D77-W80 WeakPolarHBondContact O-CA 3.38Å; D77-W80 VanDerWaalsContact O-CB 3.29Å; D77-W80 WeakPolarHBondContact O-CB 3.45Å; D77-W80 PolarHBondContact O-N 3.48Å; E78-W80 PolarHBondContact O-N 3Å; W80-T82 VanDerWaalsContact C-N 3.31Å; W80-T82 PolarHBondContact O-N 3.01Å; W80-S83 PolarHBondContact O-N 3.36Å; W80-S84 VanDerWaalsContact CH2-CB 3.46Å; W80-S84 VanDerWaalsContact CZ3-CB 3.42Å; W80-S84 VanDerWaalsContact CZ3-OG 3.25Å; W80-S84 WeakPolarHBondContact CZ3-OG 3.44Å; W80-S84 WeakPolarHBondContact O-CB 3.46Å; W80-S84 PolarHBondContact O-N 2.97Å; W80-S84 PolarHBondContact O-OG 2.83Å |
| 81 | L | 95.4 | Very high | 95.1 | Very high | 20 Ų | 20 | 84.4 Ų | 84.4 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 178.3 | -68.1 | 177.5 | 0 | 0 | 0 | 112.4 | R73 K76 D77 E78 S84 L85 | R73-L81 HydrophobicContact CB-CD2 3.71Å; R73-L81 HydrophobicContact CG-CD2 3.92Å; R73-L81 PolarHBondContact NH2-O 3.02Å; K76-L81 HydrophobicContact CB-CD2 4.14Å; K76-L81 HydrophobicContact CB-CG 4.48Å; D77-L81 WeakPolarHBondContact O-CG 3.29Å; D77-L81 PolarHBondContact O-N 3.05Å; E78-L81 WeakPolarHBondContact O-CB 3.03Å; E78-L81 PolarHBondContact O-N 2.67Å; L81-S84 PolarHBondContact O-OG 3.04Å; L81-S84 VanDerWaalsContact O-OG 3.06Å; L81-L85 WeakPolarHBondContact O-CG 3.41Å |
| 82 | T | 95.2 | Very high | 94.7 | Very high | 87 Ų | 87 | 84.9 Ų | 84.9 | 53% | 0.534 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.2 | -50.9 | 175.8 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | E78 W80 S84 L85 | E78-T82 PolarHBondContact O-N 3.26Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 3.31Å; W80-T82 VanDerWaalsContact C-N 3.31Å; W80-T82 PolarHBondContact O-N 3.01Å; T82-S84 VanDerWaalsContact C-N 3.3Å; T82-S84 PolarHBondContact O-N 3.23Å; T82-L85 PolarHBondContact O-N 2.98Å |
| 83 | S | 95.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 84 Ų | 84 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.7 | -32.1 | -176 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | N66 P79 W80 L85 Q86 | N66-S83 PolarHBondContact ND2-O 2.64Å; N66-S83 VanDerWaalsContact ND2-O 3.13Å; P79-S83 WeakPolarHBondContact O-CB 3.41Å; P79-S83 PolarHBondContact O-N 3.42Å; P79-S83 VanDerWaalsContact O-N 3.09Å; P79-S83 PolarHBondContact O-OG 2.86Å; W80-S83 PolarHBondContact O-N 3.36Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 2.75Å; S83-Q86 WeakPolarHBondContact O-CB 3.33Å; S83-Q86 PolarHBondContact O-N 2.95Å |
| 84 | S | 94.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 83.7 Ų | 83.7 | 3% | 0.028 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.1 | 179 | 66.4 | 0 | 0 | 0 | 0 | 114 | R69 W80 L81 T82 Q86 | R69-S84 VanDerWaalsContact CB-O 3.22Å; R69-S84 WeakPolarHBondContact CB-O 3.36Å; W80-S84 VanDerWaalsContact CH2-CB 3.46Å; W80-S84 VanDerWaalsContact CZ3-CB 3.42Å; W80-S84 VanDerWaalsContact CZ3-OG 3.25Å; W80-S84 WeakPolarHBondContact CZ3-OG 3.44Å; W80-S84 WeakPolarHBondContact O-CB 3.46Å; W80-S84 PolarHBondContact O-N 2.97Å; W80-S84 PolarHBondContact O-OG 2.83Å; L81-S84 PolarHBondContact O-OG 3.04Å; L81-S84 VanDerWaalsContact O-OG 3.06Å; T82-S84 VanDerWaalsContact C-N 3.3Å; T82-S84 PolarHBondContact O-N 3.23Å; S84-Q86 VanDerWaalsContact C-N 3.28Å |
| 85 | L | 94.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 75.1 Ų | 75.1 | 48% | 0.482 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.1 | 177.9 | -67.4 | 175 | 0 | 0 | 0 | 112.4 | L81 T82 S83 | L81-L85 WeakPolarHBondContact O-CG 3.41Å; T82-L85 PolarHBondContact O-N 2.98Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 2.75Å |
| 86 | Q | 95.5 | Very high | 93.7 | Very high | 110 Ų | 110 | 73.2 Ų | 73.2 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -68.5 | 146.1 | -177.5 | -60.9 | 174.7 | -11.8 | 0 | 0 | 112 | S83 S84 | S83-Q86 WeakPolarHBondContact O-CB 3.33Å; S83-Q86 PolarHBondContact O-N 2.95Å; S84-Q86 VanDerWaalsContact C-N 3.28Å |
| 87 | H | 95.4 | Very high | 93.4 | Very high | 93 Ų | 93 | 75.1 Ų | 75.1 | 43% | 0.431 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.6 | 169.9 | -79.2 | -66 | 0 | 0 | 0 | 109.8 | I63 R64 Y117 | I63-H87 HydrophobicContact CG2-CB 3.67Å; R64-H87 WeakPolarHBondContact O-CA 3.26Å; R64-H87 PolarHBondContact O-ND1 3.48Å; H87-Y117 PolarHBondContact CD2-OH 2.8Å; H87-Y117 PolarHBondContact NE2-OH 2.76Å |
| 88 | V | 94.8 | Very high | 93.2 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.6 | -175.3 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | R64 N66 | R64-V88 PolarHBondContact N-O 3.42Å; R64-V88 PolarHBondContact O-N 3.35Å; N66-V88 WeakPolarHBondContact OD1-CG2 3.12Å |
| 89 | T | 94.5 | Very high | 92.9 | Very high | 85 Ų | 85 | 65 Ų | 65 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.8 | 172.9 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | W62 I63 | W62-T89 WeakPolarHBondContact O-CA 3.4Å; I63-T89 HydrophobicContact CG1-CG2 4.46Å |
| 90 | C | 93.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 155.8 | 174.5 | -73.3 | 0 | 0 | 0 | 0 | 112.7 | W62 E94 | W62-C90 HydrophobicContact CB-CB 4.04Å; W62-C90 PolarHBondContact O-N 2.81Å; C90-E94 VanDerWaalsContact CA-OE2 3.29Å; C90-E94 WeakPolarHBondContact CA-OE2 3.42Å; C90-E94 HydrophobicContact CB-CB 3.98Å; C90-E94 VanDerWaalsContact CB-OE2 3.26Å; C90-E94 WeakPolarHBondContact CB-OE2 3.42Å |
| 91 | T | 92.6 | Very high | 92.1 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 158.6 | 172.7 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | I93 E94 C95 | T91-I93 VanDerWaalsContact C-N 3.26Å; T91-I93 PolarHBondContact O-N 3.08Å; T91-E94 WeakPolarHBondContact CG2-OE1 3.4Å; T91-E94 PolarHBondContact N-OE2 3.39Å; T91-E94 WeakPolarHBondContact O-CB 3.49Å; T91-E94 PolarHBondContact O-N 3.42Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.47Å; T91-E94 PolarHBondContact OG1-N 3.07Å; T91-E94 PolarHBondContact OG1-OE1 2.94Å; T91-C95 PolarHBondContact O-N 3.4Å; T91-C95 PolarHBondContact O-SG 3.22Å |
| 92 | P | 88.6 | Confident | 91.7 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.3 | -36.1 | 179.4 | -25.8 | 35 | 0 | 0 | 0 | 113.4 | C95 Q96 | P92-C95 PolarHBondContact O-N 3.25Å; P92-Q96 WeakPolarHBondContact O-CG 3.26Å; P92-Q96 PolarHBondContact O-N 2.9Å |
| 93 | I | 88.6 | Confident | 91.2 | Very high | 120 Ų | 120 | 60 Ų | 60 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.6 | -46.5 | 178 | -63.3 | 170.8 | 0 | 0 | 0 | 110.3 | T91 C95 Q96 I97 | T91-I93 VanDerWaalsContact C-N 3.26Å; T91-I93 PolarHBondContact O-N 3.08Å; I93-C95 VanDerWaalsContact C-N 3.29Å; I93-C95 PolarHBondContact O-N 3.28Å; I93-Q96 WeakPolarHBondContact O-CB 3.42Å; I93-Q96 PolarHBondContact O-N 3.08Å; I93-Q96 VanDerWaalsContact O-N 3.15Å; I93-I97 HydrophobicContact CG2-CD1 4.19Å; I93-I97 WeakPolarHBondContact O-CG1 3.47Å; I93-I97 PolarHBondContact O-N 3.15Å |
| 94 | E | 91.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 173.2 | -74.4 | 157.9 | -145.8 | 0 | 0 | 110.9 | C90 T91 Q96 I97 L98 | C90-E94 VanDerWaalsContact CA-OE2 3.29Å; C90-E94 WeakPolarHBondContact CA-OE2 3.42Å; C90-E94 HydrophobicContact CB-CB 3.98Å; C90-E94 VanDerWaalsContact CB-OE2 3.26Å; C90-E94 WeakPolarHBondContact CB-OE2 3.42Å; T91-E94 WeakPolarHBondContact CG2-OE1 3.4Å; T91-E94 PolarHBondContact N-OE2 3.39Å; T91-E94 WeakPolarHBondContact O-CB 3.49Å; T91-E94 PolarHBondContact O-N 3.42Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 WeakPolarHBondContact OG1-CG 3.47Å; T91-E94 PolarHBondContact OG1-N 3.07Å; T91-E94 PolarHBondContact OG1-OE1 2.94Å; E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 2.93Å; E94-I97 PolarHBondContact O-N 3.32Å; E94-I97 VanDerWaalsContact O-N 3.08Å; E94-L98 VanDerWaalsContact O-CG 3.29Å; E94-L98 WeakPolarHBondContact O-CG 3.29Å; E94-L98 PolarHBondContact O-N 3.36Å |
| 95 | C | 91.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 178.1 | -66.7 | 0 | 0 | 0 | 0 | 112 | T91 P92 I93 I97 L98 D99 | T91-C95 PolarHBondContact O-N 3.4Å; T91-C95 PolarHBondContact O-SG 3.22Å; P92-C95 PolarHBondContact O-N 3.25Å; I93-C95 VanDerWaalsContact C-N 3.29Å; I93-C95 PolarHBondContact O-N 3.28Å; C95-I97 VanDerWaalsContact C-N 3.35Å; C95-I97 PolarHBondContact O-N 3.06Å; C95-L98 PolarHBondContact O-N 3.39Å; C95-D99 WeakPolarHBondContact O-CB 3.45Å; C95-D99 PolarHBondContact O-N 2.89Å |
| 96 | Q | 86.3 | Confident | 89.4 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 176 | -70.6 | -179.3 | 13.8 | 0 | 0 | 112.6 | P92 I93 E94 K100 F134 | P92-Q96 WeakPolarHBondContact O-CG 3.26Å; P92-Q96 PolarHBondContact O-N 2.9Å; I93-Q96 WeakPolarHBondContact O-CB 3.42Å; I93-Q96 PolarHBondContact O-N 3.08Å; I93-Q96 VanDerWaalsContact O-N 3.15Å; E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 2.93Å; Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.94Å; Q96-F134 PolarHBondContact NE2-O 3.09Å |
| 97 | I | 90.1 | Very high | 89 | Confident | 90 Ų | 90 | 59 Ų | 59 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.1 | -47.2 | 176.8 | -65.5 | 167.7 | 0 | 0 | 0 | 110.1 | I93 E94 C95 D99 K100 L101 | I93-I97 HydrophobicContact CG2-CD1 4.19Å; I93-I97 WeakPolarHBondContact O-CG1 3.47Å; I93-I97 PolarHBondContact O-N 3.15Å; E94-I97 PolarHBondContact O-N 3.32Å; E94-I97 VanDerWaalsContact O-N 3.08Å; C95-I97 VanDerWaalsContact C-N 3.35Å; C95-I97 PolarHBondContact O-N 3.06Å; I97-D99 VanDerWaalsContact C-N 3.3Å; I97-D99 PolarHBondContact O-N 2.95Å; I97-K100 CarbonylContact O-C 3.58Å; I97-K100 WeakPolarHBondContact O-CA 3.48Å; I97-K100 WeakPolarHBondContact O-CB 3.41Å; I97-K100 PolarHBondContact O-N 3.4Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; I97-L101 WeakPolarHBondContact O-CG 3.29Å; I97-L101 PolarHBondContact O-N 3.07Å |
| 98 | L | 91.2 | Very high | 88.4 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 179.4 | -64.7 | 171.6 | 0 | 0 | 0 | 111.6 | V50 F54 W62 E94 C95 K100 L101 V102 | V50-L98 HydrophobicContact CB-CD2 4.37Å; V50-L98 HydrophobicContact CG1-CB 4.49Å; V50-L98 HydrophobicContact CG1-CD2 3.69Å; V50-L98 HydrophobicContact CG2-CD2 3.78Å; F54-L98 HydrophobicContact CD1-CD1 3.94Å; F54-L98 HydrophobicContact CD2-CD2 4.21Å; F54-L98 HydrophobicContact CE1-CD1 4.18Å; F54-L98 HydrophobicContact CE2-CD2 4.18Å; F54-L98 HydrophobicContact CG-CD1 4.26Å; F54-L98 HydrophobicContact CG-CD2 4.48Å; F54-L98 HydrophobicContact CZ-CD2 4.41Å; W62-L98 HydrophobicContact CB-CD1 3.76Å; W62-L98 HydrophobicContact CD2-CB 4.08Å; W62-L98 HydrophobicContact CD2-CD1 3.79Å; W62-L98 HydrophobicContact CE3-CD1 4.4Å; W62-L98 HydrophobicContact CG-CB 4.29Å; W62-L98 HydrophobicContact CG-CD1 3.5Å; W62-L98 HydrophobicContact CZ2-CB 3.99Å; E94-L98 VanDerWaalsContact O-CG 3.29Å; E94-L98 WeakPolarHBondContact O-CG 3.29Å; E94-L98 PolarHBondContact O-N 3.36Å; C95-L98 PolarHBondContact O-N 3.39Å; L98-K100 PolarHBondContact O-N 3.26Å; L98-L101 PolarHBondContact O-N 3.45Å; L98-V102 WeakPolarHBondContact O-CG2 3.16Å; L98-V102 PolarHBondContact O-N 3.12Å |
| 99 | D | 89.7 | Confident | 88.1 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.7 | -28.2 | 175.5 | -71.7 | -1 | 0 | 0 | 0 | 112.7 | R56 W62 C95 I97 V102 Q107 | R56-D99 IonicContact CZ-OD1 3.08Å; R56-D99 IonicContact CZ-OD2 3.43Å; R56-D99 VanDerWaalsContact NH1-CG 3.32Å; R56-D99 IonicContact NH1-OD1 2.67Å; R56-D99 PolarHBondContact NH1-OD1 3.31Å; R56-D99 IonicContact NH1-OD2 3.17Å; R56-D99 PolarHBondContact NH1-OD2 3.44Å; R56-D99 VanDerWaalsContact NH1-OD2 3.17Å; R56-D99 VanDerWaalsContact NH2-CG 3.34Å; R56-D99 IonicContact NH2-OD1 3.18Å; R56-D99 PolarHBondContact NH2-OD1 3.33Å; R56-D99 IonicContact NH2-OD2 2.82Å; R56-D99 PolarHBondContact NH2-OD2 2.63Å; W62-D99 PolarHBondContact NE1-OD1 3.42Å; C95-D99 WeakPolarHBondContact O-CB 3.45Å; C95-D99 PolarHBondContact O-N 2.89Å; I97-D99 VanDerWaalsContact C-N 3.3Å; I97-D99 PolarHBondContact O-N 2.95Å; D99-V102 VanDerWaalsContact O-O 3.04Å; D99-Q107 PolarHBondContact O-NE2 2.96Å |
| 100 | K | 86.4 | Confident | 87.7 | Confident | 125 Ų | 125 | 58.7 Ų | 58.7 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79.2 | -22.9 | 172.2 | -68.9 | 171.1 | -172.1 | 176.1 | 0 | 112.9 | K44 Q96 I97 L98 | K44-K100 WeakPolarHBondContact CE-O 3.46Å; K44-K100 VanDerWaalsContact NZ-C 3.3Å; K44-K100 PolarHBondContact NZ-O 3.43Å; Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.94Å; I97-K100 CarbonylContact O-C 3.58Å; I97-K100 WeakPolarHBondContact O-CA 3.48Å; I97-K100 WeakPolarHBondContact O-CB 3.41Å; I97-K100 PolarHBondContact O-N 3.4Å; L98-K100 PolarHBondContact O-N 3.26Å |
| 101 | L | 88 | Confident | 87.6 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -87.5 | -28.7 | 178.1 | -67.9 | 176 | 0 | 0 | 0 | 113.1 | C47 V50 I97 L98 | C47-L101 HydrophobicContact CB-CB 4.11Å; C47-L101 PolarHBondContact N-O 3.2Å; V50-L101 HydrophobicContact CG2-CB 4.13Å; V50-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; I97-L101 WeakPolarHBondContact O-CG 3.29Å; I97-L101 PolarHBondContact O-N 3.07Å; L98-L101 PolarHBondContact O-N 3.45Å |
| 102 | V | 86.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -99.5 | 144.2 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | K44 V50 L51 W62 L98 D99 W106 Q107 | K44-V102 PolarHBondContact NZ-O 3.18Å; V50-V102 HydrophobicContact CB-CG2 3.91Å; V50-V102 HydrophobicContact CG1-CG2 3.42Å; V50-V102 VanDerWaalsContact CG1-CG2 3.42Å; L51-V102 HydrophobicContact CD2-CG1 4.14Å; L51-V102 HydrophobicContact CD2-CG2 4.42Å; W62-V102 HydrophobicContact CH2-CB 4.37Å; W62-V102 HydrophobicContact CH2-CG1 4.48Å; W62-V102 HydrophobicContact CH2-CG2 3.88Å; W62-V102 HydrophobicContact CZ2-CB 4.48Å; W62-V102 HydrophobicContact CZ2-CG2 4.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.16Å; L98-V102 PolarHBondContact O-N 3.12Å; D99-V102 VanDerWaalsContact O-O 3.04Å; V102-W106 HydrophobicContact CG1-CB 3.31Å; V102-W106 VanDerWaalsContact CG1-CD1 3.47Å; V102-W106 HydrophobicContact CG1-CG 3.55Å; V102-Q107 PolarHBondContact O-NE2 2.88Å |
| 103 | S | 84.1 | Confident | 87.8 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 12% | 0.119 | 33% | 0.331 | C | S | . | . | trans | -84.9 | 168.9 | 177 | 151.8 | 0 | 0 | 0 | 0 | 111.6 | F105 W106 E148 | S103-F105 PolarHBondContact O-N 2.71Å; S103-W106 PolarHBondContact O-N 3.36Å; S103-E148 VanDerWaalsContact C-OE1 3.31Å; S103-E148 VanDerWaalsContact CA-OE1 3.26Å; S103-E148 WeakPolarHBondContact CA-OE1 3.47Å; S103-E148 VanDerWaalsContact CB-CD 3.44Å; S103-E148 WeakPolarHBondContact CB-OE1 3.35Å; S103-E148 VanDerWaalsContact OG-CD 3.26Å; S103-E148 WeakPolarHBondContact OG-CG 3.38Å; S103-E148 PolarHBondContact OG-OE1 2.95Å | ||
| 104 | R | 80.3 | Confident | 88.1 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 46% | 0.457 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -65.4 | -21.5 | -166.8 | -69.2 | -179.1 | 171.3 | -142.7 | -9.6 | 113.1 | W106 Q107 R108 | R104-W106 VanDerWaalsContact C-N 3.32Å; R104-W106 PolarHBondContact O-N 3.18Å; R104-Q107 PolarHBondContact O-N 2.84Å; R104-R108 PolarHBondContact O-N 3.01Å |
| 105 | F | 82.9 | Confident | 88.1 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -54.4 | -48.4 | 175.3 | 177.8 | -110.5 | 0 | 0 | 0 | 112.3 | S103 Q107 R108 E148 E151 F155 | S103-F105 PolarHBondContact O-N 2.71Å; F105-Q107 PolarHBondContact O-N 2.72Å; F105-R108 WeakPolarHBondContact O-CB 3.34Å; F105-R108 WeakPolarHBondContact O-CG 3.39Å; F105-R108 PolarHBondContact O-N 3.09Å; F105-E148 HydrophobicContact CB-CG 4.2Å; F105-E148 VanDerWaalsContact CB-OE1 3.29Å; F105-E148 WeakPolarHBondContact CB-OE1 3.47Å; F105-E151 HydrophobicContact CB-CG 4.36Å; F105-E151 VanDerWaalsContact CB-OE1 3.25Å; F105-E151 WeakPolarHBondContact CB-OE1 3.5Å; F105-E151 HydrophobicContact CD1-CG 4.05Å; F105-E151 HydrophobicContact CD2-CG 3.66Å; F105-E151 WeakPolarHBondContact CD2-OE1 3.25Å; F105-E151 WeakPolarHBondContact CD2-OE2 3.34Å; F105-E151 HydrophobicContact CE1-CG 4.17Å; F105-E151 HydrophobicContact CE2-CB 4.33Å; F105-E151 VanDerWaalsContact CE2-CD 3.48Å; F105-E151 HydrophobicContact CE2-CG 3.79Å; F105-E151 WeakPolarHBondContact CE2-OE2 3.46Å; F105-E151 HydrophobicContact CG-CG 3.77Å; F105-E151 VanDerWaalsContact CG-OE1 3.3Å; F105-E151 WeakPolarHBondContact CG-OE1 3.44Å; F105-E151 HydrophobicContact CZ-CB 4.33Å; F105-E151 HydrophobicContact CZ-CG 4.02Å; F105-F155 HydrophobicContact CE1-CD2 4.49Å; F105-F155 AromaticContact CE1-CE2 3.95Å; F105-F155 HydrophobicContact CE1-CE2 3.95Å; F105-F155 AromaticContact CZ-CD2 3.78Å; F105-F155 HydrophobicContact CZ-CD2 3.78Å; F105-F155 AromaticContact CZ-CE2 3.43Å; F105-F155 HydrophobicContact CZ-CE2 3.43Å; F105-F155 VanDerWaalsContact CZ-CE2 3.43Å |
| 106 | W | 85.6 | Confident | 88.2 | Confident | 45 Ų | 45 | 77 Ų | 77 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -75.5 | -13.4 | -178.9 | -56.9 | 95 | 0 | 0 | 0 | 113.8 | L51 V102 S103 R104 R108 E148 F154 | L51-W106 HydrophobicContact CD1-CD2 4.16Å; L51-W106 HydrophobicContact CD1-CH2 4.2Å; L51-W106 HydrophobicContact CD1-CZ2 3.66Å; L51-W106 HydrophobicContact CD2-CB 4.36Å; L51-W106 HydrophobicContact CD2-CD2 3.53Å; L51-W106 HydrophobicContact CD2-CE3 3.81Å; L51-W106 HydrophobicContact CD2-CG 3.76Å; L51-W106 HydrophobicContact CD2-CZ2 4.49Å; L51-W106 HydrophobicContact CD2-CZ3 4.4Å; V102-W106 HydrophobicContact CG1-CB 3.31Å; V102-W106 VanDerWaalsContact CG1-CD1 3.47Å; V102-W106 HydrophobicContact CG1-CG 3.55Å; S103-W106 PolarHBondContact O-N 3.36Å; R104-W106 VanDerWaalsContact C-N 3.32Å; R104-W106 PolarHBondContact O-N 3.18Å; W106-R108 VanDerWaalsContact C-N 3.35Å; W106-E148 PolarHBondContact NE1-OE1 3.07Å; W106-E148 PolarHBondContact NE1-OE2 2.99Å; W106-F154 HydrophobicContact CH2-CB 4.46Å; W106-F154 HydrophobicContact CH2-CD1 4.38Å; W106-F154 HydrophobicContact CH2-CD2 4.15Å; W106-F154 HydrophobicContact CH2-CE2 4.5Å; W106-F154 HydrophobicContact CH2-CG 4.09Å; W106-F154 HydrophobicContact CZ2-CD2 4.08Å; W106-F154 HydrophobicContact CZ2-CE2 4.25Å; W106-F154 HydrophobicContact CZ2-CG 4.48Å |
| 107 | Q | 85.5 | Confident | 88.5 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -87.6 | -8.2 | 176.9 | -59.8 | 176.6 | 20.2 | 0 | 0 | 112.2 | D99 V102 R104 F105 | D99-Q107 PolarHBondContact O-NE2 2.96Å; V102-Q107 PolarHBondContact O-NE2 2.88Å; R104-Q107 PolarHBondContact O-N 2.84Å; F105-Q107 PolarHBondContact O-N 2.72Å |
| 108 | R | 83.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 32% | 0.317 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -66.7 | 144.6 | 177.1 | -62 | 177.4 | -169.7 | 163.4 | 12.9 | 109.9 | R104 F105 W106 K110 E151 | R104-R108 PolarHBondContact O-N 3.01Å; F105-R108 WeakPolarHBondContact O-CB 3.34Å; F105-R108 WeakPolarHBondContact O-CG 3.39Å; F105-R108 PolarHBondContact O-N 3.09Å; W106-R108 VanDerWaalsContact C-N 3.35Å; R108-K110 PolarHBondContact O-N 2.99Å; R108-E151 IonicContact NH2-OE1 3.66Å |
| 109 | P | 88.2 | Confident | 88.6 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 53% | 0.532 | 39% | 0.389 | S | S | . | . | trans | -63 | 134.8 | 172.1 | 27.5 | -33.3 | 0 | 0 | 0 | 109.9 | N58 Y111 | N58-P109 HydrophobicContact CB-CB 4.37Å; N58-P109 VanDerWaalsContact OD1-CA 3.28Å; N58-P109 WeakPolarHBondContact OD1-CA 3.41Å; P109-Y111 HydrophobicContact CB-CE2 4.37Å | ||
| 110 | K | 86 | Confident | 88.6 | Confident | 50 Ų | 50 | 85 Ų | 85 | 22% | 0.217 | 41% | 0.408 | C | S | . | . | trans | -120.8 | 143.9 | 176.4 | -57.1 | -169.2 | -176.5 | -165.4 | 0 | 109.5 | N58 R108 F112 | N58-K110 PolarHBondContact ND2-O 3.07Å; N58-K110 PolarHBondContact OD1-N 3.26Å; R108-K110 PolarHBondContact O-N 2.99Å; K110-F112 HydrophobicContact CB-CD2 4.34Å; K110-F112 HydrophobicContact CB-CE2 3.73Å; K110-F112 HydrophobicContact CB-CZ 3.96Å; K110-F112 HydrophobicContact CD-CE2 3.95Å; K110-F112 HydrophobicContact CD-CZ 3.58Å; K110-F112 HydrophobicContact CG-CE2 4.48Å; K110-F112 HydrophobicContact CG-CZ 4.37Å | ||
| 111 | Y | 90.9 | Very high | 88.7 | Confident | 175 Ų | 175 | 80.1 Ų | 80.1 | 69% | 0.686 | 39% | 0.387 | S | S | * | . | trans | -126.4 | 109.3 | 175.4 | -58.4 | -82.2 | 0 | 0 | 0 | 106.7 | P109 | P109-Y111 HydrophobicContact CB-CE2 4.37Š| ||
| 112 | F | 91.2 | Very high | 88.6 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | trans | -105.9 | 149.8 | 176.4 | -60.1 | -68.9 | 0 | 0 | 0 | 108.6 | K110 D114 D115 | K110-F112 HydrophobicContact CB-CD2 4.34Å; K110-F112 HydrophobicContact CB-CE2 3.73Å; K110-F112 HydrophobicContact CB-CZ 3.96Å; K110-F112 HydrophobicContact CD-CE2 3.95Å; K110-F112 HydrophobicContact CD-CZ 3.58Å; K110-F112 HydrophobicContact CG-CE2 4.48Å; K110-F112 HydrophobicContact CG-CZ 4.37Å; F112-D114 PolarHBondContact O-N 2.92Å; F112-D115 HydrophobicContact CB-CB 4.31Å | ||
| 113 | V | 95 | Very high | 88.3 | Confident | 134 Ų | 134 | 87.8 Ų | 87.8 | 81% | 0.812 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 130.8 | 171.3 | -174.6 | 0 | 0 | 0 | 0 | 108 | D115 | V113-D115 PolarHBondContact O-N 3.48Š|
| 114 | D | 94.3 | Very high | 88.3 | Confident | 153 Ų | 153 | 93.7 Ų | 93.7 | 82% | 0.818 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 39.6 | 178.8 | -53.1 | -35.5 | 0 | 0 | 0 | 115.7 | F112 Q116 | F112-D114 PolarHBondContact O-N 2.92Å; D114-Q116 PolarHBondContact O-N 2.87Å |
| 115 | D | 91.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 94 Ų | 94 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | trans | -73.7 | 117.7 | 174.4 | -167 | -8.3 | 0 | 0 | 0 | 111.8 | K55 F112 V113 Y117 E118 | K55-D115 IonicContact NZ-OD2 3.74Å; F112-D115 HydrophobicContact CB-CB 4.31Å; V113-D115 PolarHBondContact O-N 3.48Å; D115-Y117 PolarHBondContact O-N 3.15Å; D115-Y117 PolarHBondContact OD1-N 2.78Å; D115-E118 HydrophobicContact CB-CB 4.4Å; D115-E118 WeakPolarHBondContact O-CB 3.34Å; D115-E118 PolarHBondContact O-N 2.76Å; D115-E118 VanDerWaalsContact O-N 3.1Å | ||
| 116 | Q | 93.7 | Very high | 87.7 | Confident | 168 Ų | 168 | 98.3 Ų | 98.3 | 79% | 0.785 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -23 | 174.6 | -62.8 | 177.7 | -26.7 | 0 | 0 | 113.5 | D114 | D114-Q116 PolarHBondContact O-N 2.87Š|
| 117 | Y | 92.7 | Very high | 86.5 | Confident | 51 Ų | 51 | 102.9 Ų | 102.9 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 2.4 | -178 | -63.5 | -77.5 | 0 | 0 | 0 | 114.7 | I63 H87 D115 A119 Y120 | I63-Y117 HydrophobicContact CD1-CD1 4.06Å; I63-Y117 HydrophobicContact CD1-CE1 4.18Å; H87-Y117 PolarHBondContact CD2-OH 2.8Å; H87-Y117 PolarHBondContact NE2-OH 2.76Å; D115-Y117 PolarHBondContact O-N 3.15Å; D115-Y117 PolarHBondContact OD1-N 2.78Å; Y117-A119 VanDerWaalsContact C-N 3.31Å; Y117-A119 PolarHBondContact O-N 3.29Å; Y117-Y120 HydrophobicContact CD1-CD2 4.18Å; Y117-Y120 PolarHBondContact O-N 2.82Å |
| 118 | E | 91.9 | Very high | 85.1 | Confident | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -56.1 | -43.6 | -172.4 | -175.4 | 171.4 | -160.1 | 0 | 0 | 113 | D115 Y120 N121 | D115-E118 HydrophobicContact CB-CB 4.4Å; D115-E118 WeakPolarHBondContact O-CB 3.34Å; D115-E118 PolarHBondContact O-N 2.76Å; D115-E118 VanDerWaalsContact O-N 3.1Å; E118-Y120 PolarHBondContact O-N 3.34Å; E118-Y120 VanDerWaalsContact O-N 3.08Å; E118-N121 VanDerWaalsContact O-CB 3.31Å; E118-N121 WeakPolarHBondContact O-CB 3.42Å; E118-N121 PolarHBondContact O-N 3.25Å |
| 119 | A | 91.6 | Very high | 83.2 | Confident | 77 Ų | 77 | 104.5 Ų | 104.5 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -58.4 | -24.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y117 | Y117-A119 VanDerWaalsContact C-N 3.31Å; Y117-A119 PolarHBondContact O-N 3.29Å |
| 120 | Y | 90.8 | Very high | 81.1 | Confident | 145 Ų | 145 | 110.3 Ų | 110.3 | 57% | 0.569 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -92.3 | -3.3 | -178.9 | -53 | -72.7 | 0 | 0 | 0 | 113.5 | L57 T59 Y117 E118 V122 | L57-Y120 VanDerWaalsContact CD2-CB 3.43Å; L57-Y120 WeakPolarHBondContact CD2-O 3.22Å; T59-Y120 WeakPolarHBondContact CG2-O 3.35Å; Y117-Y120 HydrophobicContact CD1-CD2 4.18Å; Y117-Y120 PolarHBondContact O-N 2.82Å; E118-Y120 PolarHBondContact O-N 3.34Å; E118-Y120 VanDerWaalsContact O-N 3.08Å; Y120-V122 PolarHBondContact O-N 2.89Å |
| 121 | N | 87.7 | Confident | 79.4 | Confident | 21 Ų | 21 | 110.3 Ų | 110.3 | 11% | 0.112 | 58% | 0.578 | C | S | . | * | S | Bend | trans | -72.2 | -15.4 | 179.3 | -79.4 | -33.9 | 0 | 0 | 0 | 113.6 | N58 T59 E118 | N58-N121 HydrophobicContact CB-CB 3.9Å; N58-N121 PolarHBondContact N-OD1 2.89Å; N58-N121 VanDerWaalsContact N-OD1 3.12Å; T59-N121 WeakPolarHBondContact CG2-O 3.31Å; T59-N121 PolarHBondContact N-O 3.13Å; E118-N121 VanDerWaalsContact O-CB 3.31Å; E118-N121 WeakPolarHBondContact O-CB 3.42Å; E118-N121 PolarHBondContact O-N 3.25Å |
| 122 | V | 85.1 | Confident | 77.2 | Confident | 91 Ų | 91 | 105 Ų | 105 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -117.5 | 138.9 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | Y120 | Y120-V122 PolarHBondContact O-N 2.89Š|
| 123 | R | 81.8 | Confident | 75 | Confident | 118 Ų | 118 | 106 Ų | 106 | 45% | 0.445 | 58% | 0.582 | S | S | . | * | trans | -94.9 | 117.6 | 170.3 | -59.6 | -165.5 | -173.4 | 166.8 | -7.1 | 108.9 | T59 M61 I126 | T59-R123 HydrophobicContact CG2-CG 3.58Å; M61-R123 HydrophobicContact CE-CG 4.3Å; M61-R123 PolarHBondContact SD-NH2 3.31Å; R123-I126 HydrophobicContact CB-CD1 4.16Å | ||
| 124 | H | 83.9 | Confident | 72.8 | Confident | 142 Ų | 142 | 108 Ų | 108 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | trans | -84.6 | 149.1 | 171.8 | -58.6 | -76 | 0 | 0 | 0 | 110.2 | I126 | H124-I126 PolarHBondContact O-N 2.96Å; H124-I126 VanDerWaalsContact O-N 3.12Å | ||
| 125 | S | 79.9 | Confident | 70.7 | Confident | 128 Ų | 128 | 104.9 Ų | 104.9 | 90% | 0.895 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 64.9 | 13 | 169.7 | -45.2 | 0 | 0 | 0 | 0 | 117.4 | ||
| 126 | I | 71.5 | Confident | 68.7 | Low | 108 Ų | 108 | 108.2 Ų | 108.2 | 55% | 0.554 | 58% | 0.58 | S | S | * | * | trans | -109.3 | 104 | 173 | -55.3 | 174.7 | 0 | 0 | 0 | 108 | R123 H124 G128 | R123-I126 HydrophobicContact CB-CD1 4.16Å; H124-I126 PolarHBondContact O-N 2.96Å; H124-I126 VanDerWaalsContact O-N 3.12Å; I126-G128 PolarHBondContact O-N 3.24Å | ||
| 127 | D | 59 | Low | 66.6 | Low | 141 Ų | 141 | 107.8 Ų | 107.8 | 75% | 0.754 | 57% | 0.572 | S | S | * | * | trans | -63.2 | 107.8 | 171.7 | -62.3 | -28.9 | 0 | 0 | 0 | 108.4 | T129 | D127-T129 PolarHBondContact O-N 3.43Š| ||
| 128 | G | 56.4 | Low | 64.6 | Low | 43 Ų | 43 | 109.8 Ų | 109.8 | 44% | 0.443 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | 16.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | I126 R137 | I126-G128 PolarHBondContact O-N 3.24Å; G128-R137 PolarHBondContact O-NH2 3.33Å |
| 129 | T | 44.9 | Very low | 62.5 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 81% | 0.81 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -17.5 | -173.2 | -38.2 | 0 | 0 | 0 | 0 | 113 | D127 A131 | D127-T129 PolarHBondContact O-N 3.43Å; T129-A131 VanDerWaalsContact C-N 3.35Å; T129-A131 PolarHBondContact O-N 2.89Å |
| 130 | K | 43.8 | Very low | 60.4 | Low | 205 Ų | 205 | 116.9 Ų | 116.9 | 89% | 0.891 | 62% | 0.616 | S | S | * | * | trans | -94 | 57.5 | 170.8 | -63.2 | -171.7 | -175.7 | 179.3 | 0 | 111.8 | S132 | K130-S132 PolarHBondContact O-N 2.72Å; K130-S132 VanDerWaalsContact O-N 3.11Å | ||
| 131 | A | 49.2 | Very low | 58.2 | Low | 50 Ų | 50 | 118.2 Ų | 118.2 | 41% | 0.413 | 62% | 0.619 | S | S | . | * | trans | -66.9 | 110.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | T129 | T129-A131 VanDerWaalsContact C-N 3.35Å; T129-A131 PolarHBondContact O-N 2.89Å | ||
| 132 | S | 44.6 | Very low | 56.2 | Low | 62 Ų | 62 | 129.1 Ų | 129.1 | 43% | 0.434 | 66% | 0.659 | S | S | . | * | trans | -44.3 | 137.2 | 165.1 | 161.3 | 0 | 0 | 0 | 0 | 108.7 | K130 F134 F135 | K130-S132 PolarHBondContact O-N 2.72Å; K130-S132 VanDerWaalsContact O-N 3.11Å; S132-F134 PolarHBondContact O-N 2.98Å; S132-F134 PolarHBondContact OG-N 3.21Å; S132-F135 CarbonylContact O-C 3.57Å; S132-F135 WeakPolarHBondContact O-CA 3.29Å; S132-F135 PolarHBondContact O-N 3Å | ||
| 133 | P | 45.9 | Very low | 54.5 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -19.7 | -178.6 | 20.8 | -30.8 | 0 | 0 | 0 | 112.9 | ||
| 134 | F | 49 | Very low | 53.1 | Low | 176 Ų | 176 | 132 Ų | 132 | 77% | 0.772 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -22.5 | 173.1 | -61.4 | -73.4 | 0 | 0 | 0 | 113.7 | Q96 S132 V136 | Q96-F134 PolarHBondContact NE2-O 3.09Å; S132-F134 PolarHBondContact O-N 2.98Å; S132-F134 PolarHBondContact OG-N 3.21Å; F134-V136 PolarHBondContact O-N 3.34Å |
| 135 | F | 50.1 | Low | 51.6 | Low | 87 Ų | 87 | 130.4 Ų | 130.4 | 38% | 0.382 | 67% | 0.67 | S | S | . | * | trans | -95.7 | 70.9 | 174.8 | -164.6 | -99.2 | 0 | 0 | 0 | 109.5 | S132 R137 | S132-F135 CarbonylContact O-C 3.57Å; S132-F135 WeakPolarHBondContact O-CA 3.29Å; S132-F135 PolarHBondContact O-N 3Å; F135-R137 HydrophobicContact CE1-CG 4.48Å; F135-R137 PolarHBondContact O-N 3.1Å | ||
| 136 | V | 49.5 | Very low | 50.4 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | trans | -60.8 | 104.2 | 165.1 | -178.2 | 0 | 0 | 0 | 0 | 106.3 | F134 P138 | F134-V136 PolarHBondContact O-N 3.34Å; V136-P138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | R | 49.7 | Very low | 49.9 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | trans | -44.8 | 125.8 | 164.9 | -75.6 | -176.6 | 173.4 | -128.5 | 5.1 | 105.9 | G128 F135 R139 | G128-R137 PolarHBondContact O-NH2 3.33Å; F135-R137 HydrophobicContact CE1-CG 4.48Å; F135-R137 PolarHBondContact O-N 3.1Å; R137-R139 VanDerWaalsContact C-N 3.35Å; R137-R139 PolarHBondContact O-N 3.4Å | ||
| 138 | P | 50.4 | Low | 50 | Low | 92 Ų | 92 | 122.7 Ų | 122.7 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | trans | -55.3 | 110.6 | 171.7 | 19.9 | -28.2 | 0 | 0 | 0 | 105.8 | V136 S140 | V136-P138 VanDerWaalsContact O-N 3.11Å; P138-S140 PolarHBondContact O-N 3.01Å | ||
| 139 | R | 47.1 | Very low | 50.1 | Low | 210 Ų | 210 | 122.5 Ų | 122.5 | 79% | 0.792 | 61% | 0.607 | S | S | * | * | trans | -44.6 | 121.4 | -179.6 | -84.8 | 177.5 | -93.2 | 174.8 | -6.6 | 106.3 | R137 R141 | R137-R139 VanDerWaalsContact C-N 3.35Å; R137-R139 PolarHBondContact O-N 3.4Å; R139-R141 PolarHBondContact O-N 3Å | ||
| 140 | S | 47 | Very low | 50.9 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 87% | 0.867 | 57% | 0.573 | S | S | * | * | trans | -63.9 | 67.2 | 166.3 | -173.3 | 0 | 0 | 0 | 0 | 107.8 | P138 R142 | P138-S140 PolarHBondContact O-N 3.01Å; S140-R142 PolarHBondContact O-N 3.06Å | ||
| 141 | R | 45.2 | Very low | 51.7 | Low | 172 Ų | 172 | 108 Ų | 108 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | trans | -76.3 | 111.8 | 164.5 | -160 | -171.1 | -131.7 | -175.7 | 10.5 | 103 | R139 K143 | R139-R141 PolarHBondContact O-N 3Å; R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 HydrophobicContact CB-CG 4.01Å; R141-K143 HydrophobicContact CG-CG 4.01Å; R141-K143 PolarHBondContact O-N 3.46Å | ||
| 142 | R | 47 | Very low | 52.2 | Low | 251 Ų | 251 | 114.1 Ų | 114.1 | 95% | 0.947 | 55% | 0.552 | S | S | * | * | trans | -48.9 | 100.1 | 160.5 | -75.8 | 178.2 | 143.5 | 170.8 | -6 | 106.1 | S140 | S140-R142 PolarHBondContact O-N 3.06Š| ||
| 143 | K | 47.7 | Very low | 53.1 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | trans | -116.3 | 130.2 | 174.6 | -66.9 | -165.7 | -173.2 | 179.9 | 0 | 105.7 | R141 L145 | R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 HydrophobicContact CB-CG 4.01Å; R141-K143 HydrophobicContact CG-CG 4.01Å; R141-K143 PolarHBondContact O-N 3.46Å; K143-L145 PolarHBondContact O-N 3Å | ||
| 144 | L | 52.6 | Low | 53.7 | Low | 154 Ų | 154 | 115.6 Ų | 115.6 | 81% | 0.806 | 54% | 0.541 | S | S | * | . | trans | -37.7 | 131.6 | 176.2 | -67.7 | 157.1 | 0 | 0 | 0 | 109.8 | L146 | L144-L146 HydrophobicContact CB-CD1 4.11Å; L144-L146 PolarHBondContact O-N 2.95Å | ||
| 145 | L | 53.6 | Low | 53.9 | Low | 109 Ų | 109 | 116 Ų | 116 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | trans | -68.2 | 70.9 | -177.7 | -153.8 | 155.9 | 0 | 0 | 0 | 107.9 | K143 E147 | K143-L145 PolarHBondContact O-N 3Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 HydrophobicContact CD2-CG 3.55Å; L145-E147 PolarHBondContact O-N 3.29Å | ||
| 146 | L | 55.1 | Low | 54.1 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | trans | -76.6 | 95.2 | 169.4 | -84.7 | 116 | 0 | 0 | 0 | 106.5 | L144 | L144-L146 HydrophobicContact CB-CD1 4.11Å; L144-L146 PolarHBondContact O-N 2.95Å | ||
| 147 | E | 59.4 | Low | 54.3 | Low | 93 Ų | 93 | 118.1 Ų | 118.1 | 44% | 0.435 | 55% | 0.546 | S | S | . | . | trans | -49.6 | 138.9 | 175.3 | -62.1 | 175.4 | 164.3 | 0 | 0 | 110.1 | R43 L145 E151 | R43-E147 WeakPolarHBondContact CD-O 3.25Å; R43-E147 PolarHBondContact NH1-O 3.06Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 HydrophobicContact CD2-CG 3.55Å; L145-E147 PolarHBondContact O-N 3.29Å; E147-E151 VanDerWaalsContact CA-CD 3.46Å; E147-E151 WeakPolarHBondContact CA-OE1 3.11Å; E147-E151 HydrophobicContact CB-CG 4.4Å; E147-E151 VanDerWaalsContact CB-OE2 3.31Å; E147-E151 WeakPolarHBondContact CB-OE2 3.38Å; E147-E151 WeakPolarHBondContact CG-OE2 3.16Å | ||
| 148 | E | 61 | Low | 54.5 | Low | 7 Ų | 7 | 115.8 Ų | 115.8 | 3% | 0.033 | 54% | 0.543 | C | S | . | . | trans | -62.4 | 148.8 | 169.9 | -60.9 | 165.1 | -169.4 | 0 | 0 | 109.8 | P46 S103 F105 W106 T150 E151 | P46-E148 WeakPolarHBondContact CG-OE2 3.46Å; S103-E148 VanDerWaalsContact C-OE1 3.31Å; S103-E148 VanDerWaalsContact CA-OE1 3.26Å; S103-E148 WeakPolarHBondContact CA-OE1 3.47Å; S103-E148 VanDerWaalsContact CB-CD 3.44Å; S103-E148 WeakPolarHBondContact CB-OE1 3.35Å; S103-E148 VanDerWaalsContact OG-CD 3.26Å; S103-E148 WeakPolarHBondContact OG-CG 3.38Å; S103-E148 PolarHBondContact OG-OE1 2.95Å; F105-E148 HydrophobicContact CB-CG 4.2Å; F105-E148 VanDerWaalsContact CB-OE1 3.29Å; F105-E148 WeakPolarHBondContact CB-OE1 3.47Å; W106-E148 PolarHBondContact NE1-OE1 3.07Å; W106-E148 PolarHBondContact NE1-OE2 2.99Å; E148-T150 WeakPolarHBondContact CB-OG1 3.48Å; E148-T150 PolarHBondContact O-N 3.13Å; E148-T150 PolarHBondContact OE2-OG1 2.87Å; E148-T150 VanDerWaalsContact OE2-OG1 3.11Å; E148-E151 HydrophobicContact CB-CG 3.83Å; E148-E151 HydrophobicContact CG-CG 4.5Å; E148-E151 VanDerWaalsContact N-CD 3.27Å; E148-E151 PolarHBondContact N-OE1 3Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.1Å | ||
| 149 | S | 59.4 | Low | 54.8 | Low | 38 Ų | 38 | 117.2 Ų | 117.2 | 27% | 0.266 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.3 | 168.6 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | D41 | D41-S149 WeakPolarHBondContact OD2-CB 3.37Š|
| 150 | T | 62.7 | Low | 55.3 | Low | 15 Ų | 15 | 111.4 Ų | 111.4 | 9% | 0.092 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.1 | -179.3 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | E148 K152 Q153 F154 | E148-T150 WeakPolarHBondContact CB-OG1 3.48Å; E148-T150 PolarHBondContact O-N 3.13Å; E148-T150 PolarHBondContact OE2-OG1 2.87Å; E148-T150 VanDerWaalsContact OE2-OG1 3.11Å; T150-K152 VanDerWaalsContact C-N 3.31Å; T150-K152 PolarHBondContact O-N 3.13Å; T150-Q153 PolarHBondContact O-N 2.69Å; T150-F154 WeakPolarHBondContact O-CD2 3.42Å |
| 151 | E | 59.4 | Low | 55.8 | Low | 19 Ų | 19 | 110.5 Ų | 110.5 | 9% | 0.089 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -60.7 | -40.5 | -174.1 | -65.6 | -173.2 | -169.9 | 0 | 0 | 112.3 | F105 R108 E147 E148 Q153 F154 | F105-E151 HydrophobicContact CB-CG 4.36Å; F105-E151 VanDerWaalsContact CB-OE1 3.25Å; F105-E151 WeakPolarHBondContact CB-OE1 3.5Å; F105-E151 HydrophobicContact CD1-CG 4.05Å; F105-E151 HydrophobicContact CD2-CG 3.66Å; F105-E151 WeakPolarHBondContact CD2-OE1 3.25Å; F105-E151 WeakPolarHBondContact CD2-OE2 3.34Å; F105-E151 HydrophobicContact CE1-CG 4.17Å; F105-E151 HydrophobicContact CE2-CB 4.33Å; F105-E151 VanDerWaalsContact CE2-CD 3.48Å; F105-E151 HydrophobicContact CE2-CG 3.79Å; F105-E151 WeakPolarHBondContact CE2-OE2 3.46Å; F105-E151 HydrophobicContact CG-CG 3.77Å; F105-E151 VanDerWaalsContact CG-OE1 3.3Å; F105-E151 WeakPolarHBondContact CG-OE1 3.44Å; F105-E151 HydrophobicContact CZ-CB 4.33Å; F105-E151 HydrophobicContact CZ-CG 4.02Å; R108-E151 IonicContact NH2-OE1 3.66Å; E147-E151 VanDerWaalsContact CA-CD 3.46Å; E147-E151 WeakPolarHBondContact CA-OE1 3.11Å; E147-E151 HydrophobicContact CB-CG 4.4Å; E147-E151 VanDerWaalsContact CB-OE2 3.31Å; E147-E151 WeakPolarHBondContact CB-OE2 3.38Å; E147-E151 WeakPolarHBondContact CG-OE2 3.16Å; E148-E151 HydrophobicContact CB-CG 3.83Å; E148-E151 HydrophobicContact CG-CG 4.5Å; E148-E151 VanDerWaalsContact N-CD 3.27Å; E148-E151 PolarHBondContact N-OE1 3Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.1Å; E151-Q153 PolarHBondContact O-N 3.26Å; E151-F154 PolarHBondContact O-N 3.14Å |
| 152 | K | 59.4 | Low | 56.6 | Low | 178 Ų | 178 | 106.1 Ų | 106.1 | 77% | 0.774 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -63.2 | -10.4 | -179.9 | -62.2 | -177.9 | 179.9 | 177.7 | 0 | 115 | T150 | T150-K152 VanDerWaalsContact C-N 3.31Å; T150-K152 PolarHBondContact O-N 3.13Å |
| 153 | Q | 63 | Low | 57.3 | Low | 133 Ų | 133 | 95 Ų | 95 | 62% | 0.621 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -91 | -17.7 | -179.9 | -66.1 | -175.5 | -8.7 | 0 | 0 | 113 | T150 E151 | T150-Q153 PolarHBondContact O-N 2.69Å; E151-Q153 PolarHBondContact O-N 3.26Å |
| 154 | F | 58.9 | Low | 58.1 | Low | 76 Ų | 76 | 93.3 Ų | 93.3 | 33% | 0.333 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -5.2 | -170.3 | -65.9 | -82.4 | 0 | 0 | 0 | 113.8 | W106 T150 E151 | W106-F154 HydrophobicContact CH2-CB 4.46Å; W106-F154 HydrophobicContact CH2-CD1 4.38Å; W106-F154 HydrophobicContact CH2-CD2 4.15Å; W106-F154 HydrophobicContact CH2-CE2 4.5Å; W106-F154 HydrophobicContact CH2-CG 4.09Å; W106-F154 HydrophobicContact CZ2-CD2 4.08Å; W106-F154 HydrophobicContact CZ2-CE2 4.25Å; W106-F154 HydrophobicContact CZ2-CG 4.48Å; T150-F154 WeakPolarHBondContact O-CD2 3.42Å; E151-F154 PolarHBondContact O-N 3.14Å |
| 155 | F | 53.1 | Low | 58.6 | Low | 183 Ų | 183 | 87.8 Ų | 87.8 | 80% | 0.803 | 42% | 0.42 | S | S | * | . | trans | -139.4 | 0 | 170.8 | -64.7 | -84.5 | 0 | 0 | 0 | 108.4 | F105 | F105-F155 HydrophobicContact CE1-CD2 4.49Å; F105-F155 AromaticContact CE1-CE2 3.95Å; F105-F155 HydrophobicContact CE1-CE2 3.95Å; F105-F155 AromaticContact CZ-CD2 3.78Å; F105-F155 HydrophobicContact CZ-CD2 3.78Å; F105-F155 AromaticContact CZ-CE2 3.43Å; F105-F155 HydrophobicContact CZ-CE2 3.43Å; F105-F155 VanDerWaalsContact CZ-CE2 3.43Å |
Retrieved 155 of 155 residues in 381.6 ms
(Link to these results)