| 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 | 30.6 | Very low | 27.7 | Very low | 247 Ų | 247 | 170.3 Ų | 170.3 | 100% | 1.217 | 87% | 0.866 | S | S | * | * | 0 | 133.7 | 0 | -70.1 | 111.2 | 155.8 | 0 | 0 | 108.5 | |||||
| 2 | S | 25.9 | Very low | 27.7 | Very low | 109 Ų | 109 | 163.1 Ų | 163.1 | 76% | 0.762 | 84% | 0.843 | S | S | * | * | trans | -163.2 | 141.1 | -172 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | R4 | S2-R4 PolarHBondContact O-N 3.46Å; S2-R4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | K | 24.8 | Very low | 27.6 | Very low | 215 Ų | 215 | 167 Ų | 167 | 94% | 0.935 | 85% | 0.85 | S | S | * | * | trans | -66.4 | 110.3 | 178.1 | -67.2 | -180 | 178.1 | 179.2 | 0 | 109.8 | ||||
| 4 | R | 26.3 | Very low | 27.5 | Very low | 229 Ų | 229 | 161.7 Ų | 161.7 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 126.3 | 174.6 | -77.1 | -177 | 171.1 | 177.5 | -1.6 | 110 | S2 | S2-R4 PolarHBondContact O-N 3.46Å; S2-R4 VanDerWaalsContact O-N 3.16Å |
| 5 | P | 28.6 | Very low | 27.3 | Very low | 118 Ų | 118 | 158.3 Ų | 158.3 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 138.7 | 169.8 | 30.1 | -33.4 | 0 | 0 | 0 | 110.4 | R7 | P5-R7 PolarHBondContact O-N 2.79Š|
| 6 | V | 28.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 162.1 Ų | 162.1 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | S8 | V6-S8 PolarHBondContact O-N 3.14Š|
| 7 | R | 26.6 | Very low | 27.3 | Very low | 227 Ų | 227 | 158.1 Ų | 158.1 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 117 | 177.6 | -76.9 | 178.4 | 168.5 | 171.1 | -4.7 | 110.4 | P5 | P5-R7 PolarHBondContact O-N 2.79Š|
| 8 | S | 28.9 | Very low | 27.7 | Very low | 113 Ų | 113 | 156.1 Ų | 156.1 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 142.7 | 153.7 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | V6 | V6-S8 PolarHBondContact O-N 3.14Š|
| 9 | H | 28.4 | Very low | 28.3 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 146 | -175.2 | -84.3 | -108.1 | 0 | 0 | 0 | 112.6 | I11 | H9-I11 PolarHBondContact O-N 3.34Š|
| 10 | T | 27.1 | Very low | 29.5 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -76 | 104 | -174 | -51 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 11 | I | 29.3 | Very low | 31 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -73.5 | 145.3 | 160.8 | -63.5 | 178 | 0 | 0 | 0 | 109 | H9 | H9-I11 PolarHBondContact O-N 3.34Š| ||
| 12 | S | 28.2 | Very low | 33.5 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | trans | -62.8 | 131.5 | -171.1 | 49 | 0 | 0 | 0 | 0 | 113.7 | S14 | S12-S14 PolarHBondContact O-N 3.37Š| ||
| 13 | K | 26.2 | Very low | 36.6 | Very low | 214 Ų | 214 | 131.4 Ų | 131.4 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | trans | -72.6 | 87.7 | 173.6 | -71.2 | 178.6 | 179.6 | 172.2 | 0 | 111.7 | ||||
| 14 | S | 25.9 | Very low | 39.9 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | trans | -126 | 130.4 | 163.4 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | S12 | S12-S14 PolarHBondContact O-N 3.37Š| ||
| 15 | C | 24.6 | Very low | 43.1 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | trans | 57.9 | 81.4 | -179.8 | -87.2 | 0 | 0 | 0 | 0 | 116.7 | I17 | C15-I17 VanDerWaalsContact C-N 3.3Å; C15-I17 HydrophobicContact CB-CD1 4.02Å; C15-I17 HydrophobicContact CB-CG1 3.93Å; C15-I17 PolarHBondContact O-N 3.18Å; C15-I17 VanDerWaalsContact O-N 3.08Å | ||
| 16 | K | 25.5 | Very low | 46.1 | Very low | 220 Ų | 220 | 111.7 Ų | 111.7 | 96% | 0.957 | 59% | 0.593 | S | S | * | * | trans | -71.3 | 90 | 147.8 | -87 | -163.5 | 170.5 | -164.9 | 0 | 108.6 | ||||
| 17 | I | 29.8 | Very low | 49.1 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | trans | -79.9 | 146.4 | 172.4 | -65.5 | 162.9 | 0 | 0 | 0 | 108.6 | C15 T21 | C15-I17 VanDerWaalsContact C-N 3.3Å; C15-I17 HydrophobicContact CB-CD1 4.02Å; C15-I17 HydrophobicContact CB-CG1 3.93Å; C15-I17 PolarHBondContact O-N 3.18Å; C15-I17 VanDerWaalsContact O-N 3.08Å; I17-T21 WeakPolarHBondContact CG2-OG1 3.16Å | ||
| 18 | Q | 33.2 | Very low | 52.4 | Low | 122 Ų | 122 | 96 Ų | 96 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | trans | -71.2 | 131 | 173.7 | -72.8 | 175.8 | -37.4 | 0 | 0 | 109.3 | N20 T21 | Q18-N20 VanDerWaalsContact C-N 3.34Å; Q18-N20 PolarHBondContact O-N 3.07Å; Q18-T21 HydrophobicContact CB-CG2 4.1Å; Q18-T21 PolarHBondContact O-N 3.34Å; Q18-T21 VanDerWaalsContact O-N 3.14Å; Q18-T21 PolarHBondContact O-OG1 2.69Å | ||
| 19 | P | 39.7 | Very low | 55.5 | Low | 68 Ų | 68 | 90.8 Ų | 90.8 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -57.8 | -45 | -172.6 | 20 | -31.5 | 0 | 0 | 0 | 112.6 | T21 Q22 I874 | P19-T21 PolarHBondContact O-N 2.92Å; P19-Q22 PolarHBondContact O-N 2.99Å; P19-Q22 VanDerWaalsContact O-N 3.14Å; P19-I874 CarbonylContact C-O 3.59Å; P19-I874 WeakPolarHBondContact CA-O 3.45Å; P19-I874 VanDerWaalsContact CB-O 3.28Å; P19-I874 WeakPolarHBondContact CB-O 3.14Å |
| 20 | N | 53 | Low | 58.6 | Low | 104 Ų | 104 | 82.3 Ų | 82.3 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -66.6 | -3.5 | -177.8 | -67.8 | 29.4 | 0 | 0 | 0 | 115.1 | Q18 | Q18-N20 VanDerWaalsContact C-N 3.34Å; Q18-N20 PolarHBondContact O-N 3.07Å |
| 21 | T | 61.2 | Low | 61.9 | Low | 77 Ų | 77 | 75.8 Ų | 75.8 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -88.7 | -2.5 | 173.6 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | I17 Q18 P19 | I17-T21 WeakPolarHBondContact CG2-OG1 3.16Å; Q18-T21 HydrophobicContact CB-CG2 4.1Å; Q18-T21 PolarHBondContact O-N 3.34Å; Q18-T21 VanDerWaalsContact O-N 3.14Å; Q18-T21 PolarHBondContact O-OG1 2.69Å; P19-T21 PolarHBondContact O-N 2.92Å |
| 22 | Q | 81.7 | Confident | 65 | Low | 49 Ų | 49 | 70 Ų | 70 | 23% | 0.229 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -89.9 | -14.9 | -177.4 | -62.7 | -157.4 | 39.6 | 0 | 0 | 114.8 | P19 I874 S911 | P19-Q22 PolarHBondContact O-N 2.99Å; P19-Q22 VanDerWaalsContact O-N 3.14Å; Q22-I874 HydrophobicContact CB-CG2 3.95Å; Q22-S911 VanDerWaalsContact O-CB 3.24Å; Q22-S911 WeakPolarHBondContact O-CB 3.03Å; Q22-S911 PolarHBondContact O-N 2.72Å; Q22-S911 PolarHBondContact O-OG 3.16Å; Q22-S911 VanDerWaalsContact O-OG 3.06Å |
| 23 | V | 91.9 | Very high | 68.1 | Low | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136 | -176.9 | -175 | 0 | 0 | 0 | 0 | 109.4 | I865 A875 L877 W908 R909 L910 | V23-I865 HydrophobicContact CG2-CD1 4.1Å; V23-A875 HydrophobicContact CB-CB 4.17Å; V23-A875 HydrophobicContact CG2-CB 3.85Å; V23-L877 HydrophobicContact CB-CD2 3.9Å; V23-L877 HydrophobicContact CG1-CD1 4.05Å; V23-L877 HydrophobicContact CG1-CD2 3.79Å; V23-W908 HydrophobicContact CG1-CB 3.99Å; V23-R909 WeakPolarHBondContact CA-O 3.15Å; V23-L910 HydrophobicContact CG1-CD2 4.26Å; V23-L910 HydrophobicContact CG2-CD2 3.88Å |
| 24 | T | 92.7 | Very high | 71 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 141.8 | -177.8 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | E26 W908 R909 | T24-E26 PolarHBondContact O-N 3.4Å; T24-W908 CarbonylContact O-C 3.56Å; T24-R909 PolarHBondContact N-O 3.42Å; T24-R909 PolarHBondContact O-N 3.23Å |
| 25 | L | 94 | Very high | 74.1 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 122.5 | 168.9 | -175.2 | 57 | 0 | 0 | 0 | 109.4 | V28 V55 F68 F906 W908 | L25-V28 HydrophobicContact CD1-CG2 4.19Å; L25-V28 HydrophobicContact CD2-CG2 3.86Å; L25-V28 HydrophobicContact CG-CG2 4.28Å; L25-V55 HydrophobicContact CD2-CG1 4.45Å; L25-V55 HydrophobicContact CD2-CG2 4.36Å; L25-F68 HydrophobicContact CB-CD2 4.18Å; L25-F68 HydrophobicContact CD2-CB 4.26Å; L25-F68 HydrophobicContact CD2-CD1 4.07Å; L25-F68 HydrophobicContact CD2-CD2 4.13Å; L25-F68 HydrophobicContact CD2-CG 3.85Å; L25-F68 HydrophobicContact CG-CD1 4.49Å; L25-F68 HydrophobicContact CG-CD2 3.92Å; L25-F68 HydrophobicContact CG-CE2 4.08Å; L25-F68 HydrophobicContact CG-CG 4.15Å; L25-F68 HydrophobicContact CG-CZ 4.45Å; L25-F68 WeakPolarHBondContact O-CD2 3.24Å; L25-F68 WeakPolarHBondContact O-CE2 3.48Å; L25-F906 HydrophobicContact CD1-CB 4.09Å; L25-F906 HydrophobicContact CD1-CD2 3.55Å; L25-F906 HydrophobicContact CD1-CE2 4.35Å; L25-F906 HydrophobicContact CD1-CG 4.14Å; L25-F906 HydrophobicContact CD2-CD2 3.81Å; L25-F906 HydrophobicContact CD2-CE2 3.76Å; L25-F906 HydrophobicContact CG-CD2 4.36Å; L25-W908 HydrophobicContact CB-CE3 3.96Å; L25-W908 HydrophobicContact CB-CH2 4.43Å; L25-W908 HydrophobicContact CB-CZ3 3.73Å; L25-W908 HydrophobicContact CD1-CD2 4.24Å; L25-W908 HydrophobicContact CD1-CE3 4.15Å; L25-W908 HydrophobicContact CD1-CH2 4.29Å; L25-W908 HydrophobicContact CD1-CZ2 4.39Å; L25-W908 HydrophobicContact CD1-CZ3 4.18Å; L25-W908 HydrophobicContact CG-CZ3 4.39Å |
| 26 | E | 91.8 | Very high | 77.5 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -33.6 | -179.8 | 177.7 | 165.8 | 152.1 | 0 | 0 | 112.9 | T24 F68 V907 R909 | T24-E26 PolarHBondContact O-N 3.4Å; E26-F68 WeakPolarHBondContact O-CE2 3.16Å; E26-F68 WeakPolarHBondContact O-CZ 3.4Å; E26-V907 PolarHBondContact N-O 3.39Å; E26-R909 HydrophobicContact CB-CB 4Å; E26-R909 IonicContact OE1-NH1 3.8Å; E26-R909 VanDerWaalsContact OE2-CB 3.31Å; E26-R909 WeakPolarHBondContact OE2-CB 3.27Å; E26-R909 WeakPolarHBondContact OE2-CD 3.46Å; E26-R909 WeakPolarHBondContact OE2-CG 3.25Å; E26-R909 IonicContact OE2-CZ 2.66Å; E26-R909 IonicContact OE2-NE 3.2Å; E26-R909 IonicContact OE2-NH1 3.14Å; E26-R909 PolarHBondContact OE2-NH1 3.09Å |
| 27 | R | 92.1 | Very high | 80.8 | Confident | 40 Ų | 40 | 41 Ų | 41 | 15% | 0.151 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.3 | 178.1 | -149.7 | 174.2 | -62.8 | 163.6 | 3.9 | 112.5 | I29 L494 V907 | R27-I29 HydrophobicContact CG-CG1 4.33Å; R27-L494 PolarHBondContact NH1-O 2.97Å; R27-L494 VanDerWaalsContact NH1-O 3.12Å; R27-L494 PolarHBondContact NH2-O 3.47Å; R27-V907 HydrophobicContact CB-CB 3.93Å; R27-V907 HydrophobicContact CB-CG2 4Å; R27-V907 PolarHBondContact N-O 3.45Å; R27-V907 PolarHBondContact O-N 3.2Å |
| 28 | V | 95.2 | Very high | 84 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.9 | 166 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | L25 A52 V57 Q66 F68 F906 | L25-V28 HydrophobicContact CD1-CG2 4.19Å; L25-V28 HydrophobicContact CD2-CG2 3.86Å; L25-V28 HydrophobicContact CG-CG2 4.28Å; V28-A52 HydrophobicContact CG1-CB 3.72Å; V28-V57 HydrophobicContact CB-CG2 3.97Å; V28-V57 HydrophobicContact CG1-CG2 4.18Å; V28-V57 HydrophobicContact CG2-CG2 4.17Å; V28-Q66 PolarHBondContact O-NE2 3.27Å; V28-Q66 PolarHBondContact O-OE1 2.94Å; V28-F68 HydrophobicContact CB-CE1 4.17Å; V28-F68 HydrophobicContact CG2-CD1 4.03Å; V28-F68 HydrophobicContact CG2-CE1 3.69Å; V28-F68 HydrophobicContact CG2-CZ 4.44Å; V28-F906 HydrophobicContact CG1-CD1 4.12Å; V28-F906 HydrophobicContact CG1-CE1 3.74Å; V28-F906 HydrophobicContact CG1-CZ 4.18Å; V28-F906 HydrophobicContact CG2-CD1 4.27Å; V28-F906 HydrophobicContact CG2-CD2 4.09Å; V28-F906 HydrophobicContact CG2-CE1 4.11Å; V28-F906 HydrophobicContact CG2-CE2 3.91Å; V28-F906 HydrophobicContact CG2-CG 4.27Å; V28-F906 HydrophobicContact CG2-CZ 3.93Å |
| 29 | I | 94.4 | Very high | 87 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 100 | -179.9 | -61.5 | 170.5 | 0 | 0 | 0 | 105.9 | R27 Y435 W492 I905 V907 | R27-I29 HydrophobicContact CG-CG1 4.33Å; I29-Y435 HydrophobicContact CB-CD1 4.46Å; I29-Y435 HydrophobicContact CB-CE1 4.35Å; I29-Y435 HydrophobicContact CG2-CD1 3.48Å; I29-Y435 VanDerWaalsContact CG2-CD1 3.48Å; I29-Y435 HydrophobicContact CG2-CE1 3.66Å; I29-W492 HydrophobicContact CG2-CE3 4.01Å; I29-W492 HydrophobicContact CG2-CH2 3.7Å; I29-W492 HydrophobicContact CG2-CZ2 4.32Å; I29-W492 HydrophobicContact CG2-CZ3 3.52Å; I29-I905 HydrophobicContact CB-CB 4.17Å; I29-I905 HydrophobicContact CG2-CD1 4.25Å; I29-I905 PolarHBondContact N-O 2.86Å; I29-I905 PolarHBondContact O-N 3.43Å; I29-V907 HydrophobicContact CD1-CG2 4.35Å |
| 30 | G | 93.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | trans | 131.3 | 166 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 31 | F | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -148.8 | 163.7 | 174 | 62.5 | -115.5 | 0 | 0 | 0 | 111.3 | L33 I396 F410 H414 I416 Y435 | F31-L33 HydrophobicContact CB-CD1 4.29Å; F31-L33 HydrophobicContact CB-CG 4.08Å; F31-L33 HydrophobicContact CD1-CD1 4.35Å; F31-L33 HydrophobicContact CD2-CB 3.7Å; F31-L33 HydrophobicContact CD2-CD1 3.67Å; F31-L33 HydrophobicContact CD2-CG 3.53Å; F31-L33 HydrophobicContact CE2-CB 3.93Å; F31-L33 HydrophobicContact CE2-CD1 3.92Å; F31-L33 HydrophobicContact CE2-CG 4.1Å; F31-L33 HydrophobicContact CG-CD1 3.87Å; F31-L33 HydrophobicContact CG-CG 3.96Å; F31-L33 HydrophobicContact CZ-CD1 4.35Å; F31-I396 HydrophobicContact CE2-CD1 3.83Å; F31-I396 HydrophobicContact CZ-CD1 4.31Å; F31-F410 HydrophobicContact CD1-CD1 4.07Å; F31-F410 HydrophobicContact CD1-CE1 4.43Å; F31-F410 AromaticContact CE1-CD1 3.75Å; F31-F410 HydrophobicContact CE1-CD1 3.75Å; F31-F410 HydrophobicContact CE1-CE1 4.5Å; F31-F410 HydrophobicContact CZ-CB 4.32Å; F31-F410 HydrophobicContact CZ-CD1 4.08Å; F31-H414 AromaticContact CD2-CD2 3.86Å; F31-H414 AromaticContact CD2-NE2 3.94Å; F31-H414 HydrophobicContact CE1-CB 4.41Å; F31-H414 HydrophobicContact CE2-CB 4.33Å; F31-H414 AromaticContact CE2-CD2 3.27Å; F31-H414 WeakPolarHBondContact CE2-CD2 3.41Å; F31-H414 AromaticContact CE2-CG 3.88Å; F31-H414 AromaticContact CE2-NE2 3.71Å; F31-H414 HydrophobicContact CZ-CB 4.14Å; F31-H414 AromaticContact CZ-CD2 3.83Å; F31-H414 PolarHBondContact O-CE1 3.46Å; F31-I416 HydrophobicContact CD1-CD1 4.05Å; F31-I416 HydrophobicContact CD1-CG1 4.07Å; F31-I416 HydrophobicContact CE1-CD1 4.13Å; F31-I416 HydrophobicContact CE1-CG1 3.62Å; F31-Y435 AromaticContact CD1-CD2 3.89Å; F31-Y435 HydrophobicContact CD1-CD2 3.89Å; F31-Y435 HydrophobicContact CD1-CE2 4.09Å; F31-Y435 HydrophobicContact CE1-CD2 4.26Å | ||
| 32 | T | 94.1 | Very high | 93.3 | Very high | 32 Ų | 32 | 20.9 Ų | 20.9 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | trans | -124.4 | 44.6 | -178.8 | 60 | 0 | 0 | 0 | 0 | 111.8 | A51 G53 D902 | T32-A51 PolarHBondContact N-O 3.23Å; T32-A51 PolarHBondContact OG1-O 2.81Å; T32-G53 PolarHBondContact OG1-N 3.22Å; T32-D902 HydrophobicContact CG2-CB 4.02Å | ||
| 33 | L | 93.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | trans | -83.3 | 138.8 | -173.4 | -59.3 | 175.6 | 0 | 0 | 0 | 111.6 | F31 A38 V39 H50 A51 I396 F410 | F31-L33 HydrophobicContact CB-CD1 4.29Å; F31-L33 HydrophobicContact CB-CG 4.08Å; F31-L33 HydrophobicContact CD1-CD1 4.35Å; F31-L33 HydrophobicContact CD2-CB 3.7Å; F31-L33 HydrophobicContact CD2-CD1 3.67Å; F31-L33 HydrophobicContact CD2-CG 3.53Å; F31-L33 HydrophobicContact CE2-CB 3.93Å; F31-L33 HydrophobicContact CE2-CD1 3.92Å; F31-L33 HydrophobicContact CE2-CG 4.1Å; F31-L33 HydrophobicContact CG-CD1 3.87Å; F31-L33 HydrophobicContact CG-CG 3.96Å; F31-L33 HydrophobicContact CZ-CD1 4.35Å; L33-A38 HydrophobicContact CD2-CB 3.56Å; L33-A38 WeakPolarHBondContact CD2-O 3.1Å; L33-V39 HydrophobicContact CD1-CG2 3.45Å; L33-V39 VanDerWaalsContact CD1-CG2 3.45Å; L33-V39 HydrophobicContact CD2-CG2 3.61Å; L33-V39 HydrophobicContact CG-CG2 4.14Å; L33-H50 HydrophobicContact CD2-CB 4.23Å; L33-A51 HydrophobicContact CD2-CB 4.22Å; L33-I396 HydrophobicContact CB-CD1 3.91Å; L33-F410 HydrophobicContact CD1-CB 4.26Å; L33-F410 HydrophobicContact CD1-CD1 3.3Å; L33-F410 HydrophobicContact CD1-CE1 3.71Å; L33-F410 HydrophobicContact CD1-CG 3.88Å | ||
| 34 | N | 87.1 | Confident | 93.3 | Very high | 72 Ų | 72 | 28.5 Ų | 28.5 | 39% | 0.385 | 15% | 0.147 | S | C | . | . | trans | -132.8 | 5.6 | 174.9 | 88.2 | -42.3 | 0 | 0 | 0 | 114.3 | R120 | N34-R120 PolarHBondContact ND2-NH1 2.81Å; N34-R120 VanDerWaalsContact ND2-NH1 3.15Å; N34-R120 PolarHBondContact ND2-NH2 2.91Å; N34-R120 PolarHBondContact OD1-NH2 3.27Å | ||
| 35 | S | 91.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 20% | 0.203 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -171.5 | 164.2 | 178 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | C37 A38 I396 | S35-C37 PolarHBondContact O-N 3.09Å; S35-C37 VanDerWaalsContact O-N 3.1Å; S35-C37 PolarHBondContact OG-N 2.97Å; S35-A38 PolarHBondContact O-N 3.23Å; S35-I396 CarbonylContact C-O 3.49Å |
| 36 | N | 96.2 | Very high | 93 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.9 | 171.6 | -160.5 | 29.2 | 0 | 0 | 0 | 114.5 | R125 D219 C333 I334 I396 A397 I398 K399 | N36-R125 PolarHBondContact O-NH2 3.14Å; N36-D219 WeakPolarHBondContact CB-OD2 3.4Å; N36-D219 PolarHBondContact ND2-OD2 2.83Å; N36-C333 HydrophobicContact CB-CB 3.74Å; N36-I334 PolarHBondContact ND2-O 2.86Å; N36-I396 PolarHBondContact N-O 3.22Å; N36-A397 HydrophobicContact CB-CB 4.32Å; N36-I398 PolarHBondContact OD1-N 3.2Å; N36-I398 PolarHBondContact OD1-O 3.4Å; N36-K399 PolarHBondContact O-NZ 2.83Å; N36-K399 PolarHBondContact OD1-NZ 2.87Å |
| 37 | C | 95.2 | Very high | 93 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -16 | 171.6 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | S35 V39 A79 V80 A123 | S35-C37 PolarHBondContact O-N 3.09Å; S35-C37 VanDerWaalsContact O-N 3.1Å; S35-C37 PolarHBondContact OG-N 2.97Å; C37-V39 VanDerWaalsContact C-N 3.35Å; C37-A79 CarbonylContact O-C 3.56Å; C37-A79 VanDerWaalsContact O-CA 3.26Å; C37-A79 WeakPolarHBondContact O-CA 3.45Å; C37-V80 PolarHBondContact O-N 3.31Å; C37-A123 HydrophobicContact CB-CB 4.03Å |
| 38 | A | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -90.7 | 4.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L33 S35 A51 | L33-A38 HydrophobicContact CD2-CB 3.56Å; L33-A38 WeakPolarHBondContact CD2-O 3.1Å; S35-A38 PolarHBondContact O-N 3.23Å; A38-A51 PolarHBondContact O-N 3.13Å |
| 39 | V | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.9 | 175.4 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | L33 C37 I48 A49 H50 A397 K399 F410 | L33-V39 HydrophobicContact CD1-CG2 3.45Å; L33-V39 VanDerWaalsContact CD1-CG2 3.45Å; L33-V39 HydrophobicContact CD2-CG2 3.61Å; L33-V39 HydrophobicContact CG-CG2 4.14Å; C37-V39 VanDerWaalsContact C-N 3.35Å; V39-I48 HydrophobicContact CG1-CG2 3.86Å; V39-A49 CarbonylContact C-O 3.59Å; V39-A49 WeakPolarHBondContact CA-O 3.15Å; V39-H50 HydrophobicContact CG1-CB 4.48Å; V39-H50 HydrophobicContact CG2-CB 4.27Å; V39-A397 HydrophobicContact CB-CB 4.47Å; V39-A397 HydrophobicContact CG2-CB 3.91Å; V39-K399 HydrophobicContact CG1-CG 4.1Å; V39-K399 WeakPolarHBondContact O-CE 3.27Å; V39-K399 PolarHBondContact O-NZ 3.19Å; V39-F410 HydrophobicContact CG1-CE2 3.85Å; V39-F410 HydrophobicContact CG1-CZ 4.06Å; V39-F410 HydrophobicContact CG2-CD2 4.42Å; V39-F410 HydrophobicContact CG2-CE2 4.29Å; V39-F410 HydrophobicContact CG2-CZ 4.38Å |
| 40 | A | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 155.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I48 A49 V80 F82 | A40-I48 WeakPolarHBondContact O-CA 3.28Å; A40-A49 HydrophobicContact CB-CB 4.32Å; A40-A49 PolarHBondContact N-O 3.39Å; A40-A49 PolarHBondContact O-N 2.89Å; A40-V80 HydrophobicContact CB-CG1 4.04Å; A40-F82 HydrophobicContact CB-CD2 3.64Å; A40-F82 HydrophobicContact CB-CE2 4.19Å; A40-F82 HydrophobicContact CB-CG 4.47Å |
| 41 | F | 95 | Very high | 93.6 | Very high | 32 Ų | 32 | 24 Ų | 24 | 14% | 0.14 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.7 | 174.5 | 176.8 | -121.3 | 0 | 0 | 0 | 109.8 | D43 L47 I48 K399 D401 | F41-D43 WeakPolarHBondContact CD1-OD1 3.5Å; F41-D43 HydrophobicContact CE1-CB 4.33Å; F41-D43 WeakPolarHBondContact CE1-OD1 3.38Å; F41-L47 WeakPolarHBondContact CD2-O 3.26Å; F41-I48 HydrophobicContact CB-CG1 4.43Å; F41-I48 HydrophobicContact CD2-CD1 4.18Å; F41-I48 HydrophobicContact CD2-CG1 3.52Å; F41-I48 HydrophobicContact CE2-CG1 4.25Å; F41-I48 HydrophobicContact CG-CG1 4.39Å; F41-K399 HydrophobicContact CB-CB 4.17Å; F41-K399 HydrophobicContact CB-CD 4.09Å; F41-K399 HydrophobicContact CB-CG 4.07Å; F41-D401 HydrophobicContact CE1-CB 3.74Å; F41-D401 HydrophobicContact CE2-CB 4.46Å; F41-D401 HydrophobicContact CZ-CB 3.59Å; F41-D401 VanDerWaalsContact CZ-CG 3.46Å; F41-D401 VanDerWaalsContact CZ-OD2 3.28Å; F41-D401 WeakPolarHBondContact CZ-OD2 3.37Å |
| 42 | S | 93.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 24 Ų | 24 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 98.4 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | K44 T45 G46 L47 | S42-K44 PolarHBondContact O-N 3.49Å; S42-K44 VanDerWaalsContact O-N 3.11Å; S42-T45 WeakPolarHBondContact CB-OG1 3.31Å; S42-T45 PolarHBondContact O-N 3.16Å; S42-T45 PolarHBondContact O-OG1 2.92Å; S42-T45 PolarHBondContact OG-OG1 2.96Å; S42-G46 PolarHBondContact O-N 2.95Å; S42-L47 PolarHBondContact N-O 3.2Å |
| 43 | D | 86.5 | Confident | 93.4 | Very high | 76 Ų | 76 | 22.5 Ų | 22.5 | 41% | 0.406 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -45.5 | -179.7 | -52.6 | -48.7 | 0 | 0 | 0 | 111.8 | F41 T45 I403 R404 | F41-D43 WeakPolarHBondContact CD1-OD1 3.5Å; F41-D43 HydrophobicContact CE1-CB 4.33Å; F41-D43 WeakPolarHBondContact CE1-OD1 3.38Å; D43-T45 VanDerWaalsContact C-N 3.3Å; D43-T45 PolarHBondContact O-N 3.09Å; D43-I403 HydrophobicContact CB-CD1 3.95Å; D43-R404 PolarHBondContact O-NH1 3.35Å |
| 44 | K | 87 | Confident | 93.4 | Very high | 142 Ų | 142 | 22.6 Ų | 22.6 | 62% | 0.617 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.7 | -176.9 | -69.9 | 176.7 | 179.2 | 165.8 | 0 | 114.4 | S42 S84 | S42-K44 PolarHBondContact O-N 3.49Å; S42-K44 VanDerWaalsContact O-N 3.11Å; K44-S84 WeakPolarHBondContact CD-O 3.45Å; K44-S84 VanDerWaalsContact CE-O 3.24Å; K44-S84 WeakPolarHBondContact CE-O 3.2Å; K44-S84 PolarHBondContact NZ-O 3.14Å |
| 45 | T | 89.6 | Confident | 93.8 | Very high | 58 Ų | 58 | 19.1 Ų | 19.1 | 36% | 0.356 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -18.2 | -174.1 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | S42 D43 L47 | S42-T45 WeakPolarHBondContact CB-OG1 3.31Å; S42-T45 PolarHBondContact O-N 3.16Å; S42-T45 PolarHBondContact O-OG1 2.92Å; S42-T45 PolarHBondContact OG-OG1 2.96Å; D43-T45 VanDerWaalsContact C-N 3.3Å; D43-T45 PolarHBondContact O-N 3.09Å; T45-L47 PolarHBondContact O-N 3.36Å; T45-L47 WeakPolarHBondContact OG1-CB 3.29Å; T45-L47 WeakPolarHBondContact OG1-CG 3.22Å; T45-L47 PolarHBondContact OG1-N 2.9Å |
| 46 | G | 89.9 | Confident | 94 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 9% | 0.093 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 4.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S42 R404 | S42-G46 PolarHBondContact O-N 2.95Å; G46-R404 VanDerWaalsContact CA-CZ 3.42Å |
| 47 | L | 93.5 | Very high | 94 | Very high | 30 Ų | 30 | 17.4 Ų | 17.4 | 16% | 0.157 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 136.3 | -179.7 | -66.5 | 172.6 | 0 | 0 | 0 | 111.5 | F41 S42 T45 F82 V105 | F41-L47 WeakPolarHBondContact CD2-O 3.26Å; S42-L47 PolarHBondContact N-O 3.2Å; T45-L47 PolarHBondContact O-N 3.36Å; T45-L47 WeakPolarHBondContact OG1-CB 3.29Å; T45-L47 WeakPolarHBondContact OG1-CG 3.22Å; T45-L47 PolarHBondContact OG1-N 2.9Å; L47-F82 HydrophobicContact CB-CZ 4.03Å; L47-F82 WeakPolarHBondContact O-CE2 3.41Å; L47-V105 HydrophobicContact CD1-CG1 4.39Å |
| 48 | I | 96 | Very high | 94.1 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.2 | 170.1 | -72.1 | 175.8 | 0 | 0 | 0 | 108.9 | V39 A40 F41 L58 H59 F61 I408 F410 | V39-I48 HydrophobicContact CG1-CG2 3.86Å; A40-I48 WeakPolarHBondContact O-CA 3.28Å; F41-I48 HydrophobicContact CB-CG1 4.43Å; F41-I48 HydrophobicContact CD2-CD1 4.18Å; F41-I48 HydrophobicContact CD2-CG1 3.52Å; F41-I48 HydrophobicContact CE2-CG1 4.25Å; F41-I48 HydrophobicContact CG-CG1 4.39Å; I48-L58 WeakPolarHBondContact O-CA 3.37Å; I48-H59 PolarHBondContact N-O 2.96Å; I48-H59 PolarHBondContact O-N 3.41Å; I48-F61 HydrophobicContact CB-CE2 4.03Å; I48-F61 HydrophobicContact CD1-CD2 3.92Å; I48-F61 HydrophobicContact CD1-CE2 3.68Å; I48-F61 HydrophobicContact CG1-CE2 4.33Å; I48-F61 HydrophobicContact CG2-CE2 4.29Å; I48-I408 HydrophobicContact CD1-CB 3.99Å; I48-I408 HydrophobicContact CD1-CD1 3.72Å; I48-I408 HydrophobicContact CD1-CG1 3.58Å; I48-I408 HydrophobicContact CD1-CG2 4.08Å; I48-F410 HydrophobicContact CG2-CZ 4.06Å |
| 49 | A | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V39 A40 T56 V57 L58 V80 F82 L89 | V39-A49 CarbonylContact C-O 3.59Å; V39-A49 WeakPolarHBondContact CA-O 3.15Å; A40-A49 HydrophobicContact CB-CB 4.32Å; A40-A49 PolarHBondContact N-O 3.39Å; A40-A49 PolarHBondContact O-N 2.89Å; A49-T56 HydrophobicContact CB-CG2 4.12Å; A49-V57 WeakPolarHBondContact CA-O 3.44Å; A49-L58 HydrophobicContact CB-CD2 3.59Å; A49-V80 HydrophobicContact CB-CG1 3.71Å; A49-F82 HydrophobicContact CB-CD2 4.4Å; A49-F82 HydrophobicContact CB-CE2 3.61Å; A49-F82 HydrophobicContact CB-CZ 3.76Å; A49-L89 HydrophobicContact CB-CD1 3.71Å; A49-L89 HydrophobicContact CB-CD2 4.34Å |
| 50 | H | 97 | Very high | 93.7 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.5 | -179.1 | 64.3 | -76.9 | 0 | 0 | 0 | 111.9 | L33 V39 V57 F410 | L33-H50 HydrophobicContact CD2-CB 4.23Å; V39-H50 HydrophobicContact CG1-CB 4.48Å; V39-H50 HydrophobicContact CG2-CB 4.27Å; H50-V57 PolarHBondContact N-O 3.27Å; H50-V57 PolarHBondContact ND1-O 3.27Å; H50-V57 PolarHBondContact O-N 3.44Å; H50-F410 HydrophobicContact CB-CE1 4.49Å |
| 51 | A | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 130 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T32 L33 A38 I77 | T32-A51 PolarHBondContact N-O 3.23Å; T32-A51 PolarHBondContact OG1-O 2.81Å; L33-A51 HydrophobicContact CD2-CB 4.22Å; A38-A51 PolarHBondContact O-N 3.13Å; A51-I77 HydrophobicContact CB-CB 4.05Å; A51-I77 HydrophobicContact CB-CG2 4.07Å; A51-I77 WeakPolarHBondContact CB-O 3.23Å |
| 52 | A | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 95 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | V28 V55 V57 | V28-A52 HydrophobicContact CG1-CB 3.72Å; A52-V55 CarbonylContact C-O 3.5Å; A52-V55 PolarHBondContact N-O 3.21Å; A52-V55 WeakPolarHBondContact O-CB 3.37Å; A52-V55 PolarHBondContact O-N 2.77Å; A52-V55 VanDerWaalsContact O-N 3.13Å; A52-V57 HydrophobicContact CB-CG2 3.86Å |
| 53 | G | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -124.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T32 A76 I77 S881 D902 | T32-G53 PolarHBondContact OG1-N 3.22Å; G53-A76 WeakPolarHBondContact O-CA 3.46Å; G53-I77 PolarHBondContact O-N 3.15Å; G53-S881 VanDerWaalsContact CA-CB 3.47Å; G53-S881 WeakPolarHBondContact CA-OG 3.21Å; G53-D902 WeakPolarHBondContact CA-OD2 3.46Å |
| 54 | C | 91.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9.4 | 169.2 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | S71 K75 G879 | C54-S71 PolarHBondContact O-N 3.5Å; C54-K75 WeakPolarHBondContact CA-O 3.2Å; C54-K75 WeakPolarHBondContact CB-O 3.45Å; C54-G879 PolarHBondContact N-O 3.43Å; C54-G879 VanDerWaalsContact SG-C 3.52Å; C54-G879 VanDerWaalsContact SG-CA 3.56Å; C54-G879 PolarHBondContact SG-O 2.66Å |
| 55 | V | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 142.8 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | L25 A52 V57 F68 I69 Q70 F906 | L25-V55 HydrophobicContact CD2-CG1 4.45Å; L25-V55 HydrophobicContact CD2-CG2 4.36Å; A52-V55 CarbonylContact C-O 3.5Å; A52-V55 PolarHBondContact N-O 3.21Å; A52-V55 WeakPolarHBondContact O-CB 3.37Å; A52-V55 PolarHBondContact O-N 2.77Å; A52-V55 VanDerWaalsContact O-N 3.13Å; V55-V57 HydrophobicContact CG1-CG2 4.4Å; V55-F68 HydrophobicContact CG1-CB 3.87Å; V55-F68 HydrophobicContact CG1-CD1 4.08Å; V55-F68 HydrophobicContact CG1-CG 4.39Å; V55-I69 WeakPolarHBondContact CA-O 3.48Å; V55-Q70 HydrophobicContact CG1-CG 4.3Å; V55-Q70 HydrophobicContact CG2-CB 4.48Å; V55-Q70 HydrophobicContact CG2-CG 3.95Å; V55-F906 HydrophobicContact CB-CE2 4.45Å; V55-F906 HydrophobicContact CB-CZ 4.39Å; V55-F906 HydrophobicContact CG2-CE2 3.75Å; V55-F906 HydrophobicContact CG2-CZ 4.06Å |
| 56 | T | 96.6 | Very high | 92 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.1 | 162.2 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | A49 I69 V80 L89 T91 | A49-T56 HydrophobicContact CB-CG2 4.12Å; T56-I69 PolarHBondContact N-O 2.76Å; T56-I69 PolarHBondContact O-N 3.4Å; T56-V80 HydrophobicContact CG2-CG1 3.98Å; T56-V80 HydrophobicContact CG2-CG2 4.06Å; T56-L89 HydrophobicContact CG2-CD2 3.89Å; T56-T91 WeakPolarHBondContact OG1-CG2 3.41Å |
| 57 | V | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.4 | 179.7 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | V28 A49 H50 A52 V55 Q66 F68 | V28-V57 HydrophobicContact CB-CG2 3.97Å; V28-V57 HydrophobicContact CG1-CG2 4.18Å; V28-V57 HydrophobicContact CG2-CG2 4.17Å; A49-V57 WeakPolarHBondContact CA-O 3.44Å; H50-V57 PolarHBondContact N-O 3.27Å; H50-V57 PolarHBondContact ND1-O 3.27Å; H50-V57 PolarHBondContact O-N 3.44Å; A52-V57 HydrophobicContact CB-CG2 3.86Å; V55-V57 HydrophobicContact CG1-CG2 4.4Å; V57-Q66 HydrophobicContact CG1-CB 4.23Å; V57-Q66 HydrophobicContact CG1-CG 4.04Å; V57-F68 HydrophobicContact CG1-CD1 4.39Å; V57-F68 HydrophobicContact CG1-CE1 4.06Å; V57-F68 HydrophobicContact CG2-CD1 4.13Å; V57-F68 HydrophobicContact CG2-CE1 4.23Å |
| 58 | L | 96.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 118.5 | 168.7 | -53.5 | 177.8 | 0 | 0 | 0 | 107.6 | I48 A49 Q66 Q67 I69 F82 L89 V105 | I48-L58 WeakPolarHBondContact O-CA 3.37Å; A49-L58 HydrophobicContact CB-CD2 3.59Å; L58-Q66 CarbonylContact O-C 3.58Å; L58-Q66 VanDerWaalsContact O-CA 3.29Å; L58-Q66 WeakPolarHBondContact O-CA 3.47Å; L58-Q67 HydrophobicContact CB-CB 4.21Å; L58-Q67 HydrophobicContact CD1-CB 4.41Å; L58-Q67 PolarHBondContact N-O 2.69Å; L58-Q67 PolarHBondContact O-N 3.34Å; L58-I69 HydrophobicContact CD1-CD1 4.04Å; L58-I69 HydrophobicContact CD1-CG1 4.45Å; L58-I69 HydrophobicContact CG-CD1 4.48Å; L58-F82 HydrophobicContact CD2-CE1 4.46Å; L58-F82 HydrophobicContact CD2-CZ 4.1Å; L58-L89 HydrophobicContact CD2-CD2 4.17Å; L58-V105 HydrophobicContact CD1-CG1 4.1Å |
| 59 | H | 93.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.8 | -176.4 | -166.6 | -148.5 | 0 | 0 | 0 | 112 | I48 F61 E64 R65 Q66 | I48-H59 PolarHBondContact N-O 2.96Å; I48-H59 PolarHBondContact O-N 3.41Å; H59-F61 HydrophobicContact CB-CE2 4.45Å; H59-F61 AromaticContact CE1-CD1 3.37Å; H59-F61 WeakPolarHBondContact CE1-CD1 2.9Å; H59-F61 AromaticContact CE1-CE1 3.4Å; H59-F61 VanDerWaalsContact CE1-CE1 3.4Å; H59-F61 WeakPolarHBondContact CE1-CE1 3.4Å; H59-F61 AromaticContact ND1-CD1 3.35Å; H59-F61 VanDerWaalsContact ND1-CD1 3.35Å; H59-F61 WeakPolarHBondContact ND1-CD1 3.04Å; H59-F61 AromaticContact ND1-CD2 3.92Å; H59-F61 AromaticContact ND1-CE1 3.06Å; H59-F61 WeakPolarHBondContact ND1-CE1 3.49Å; H59-F61 AromaticContact ND1-CE2 3.67Å; H59-F61 AromaticContact ND1-CG 3.79Å; H59-F61 AromaticContact ND1-CZ 3.25Å; H59-F61 VanDerWaalsContact ND1-CZ 3.25Å; H59-F61 WeakPolarHBondContact ND1-CZ 3.36Å; H59-E64 IonicContact CE1-OE2 3.85Å; H59-E64 IonicContact NE2-OE2 3.01Å; H59-R65 PolarHBondContact CD2-O 3.15Å; H59-Q66 VanDerWaalsContact CD2-CG 3.5Å; H59-Q66 WeakPolarHBondContact CD2-CG 3.48Å |
| 60 | S | 90.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 103.6 | 166.7 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | E62 N63 E64 R65 | S60-E62 PolarHBondContact O-N 2.75Å; S60-E62 PolarHBondContact OG-N 2.94Å; S60-N63 WeakPolarHBondContact CB-OD1 3.17Å; S60-N63 PolarHBondContact O-N 3.19Å; S60-N63 PolarHBondContact OG-OD1 2.89Å; S60-E64 WeakPolarHBondContact O-CA 3.47Å; S60-E64 PolarHBondContact O-N 2.78Å; S60-R65 PolarHBondContact N-O 3.07Å; S60-R65 VanDerWaalsContact N-O 3.1Å |
| 61 | F | 86.1 | Confident | 90.6 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 26.1 | 171.1 | -54.7 | -88.5 | 0 | 0 | 0 | 113 | I48 H59 R406 I408 I416 V418 R431 H433 | I48-F61 HydrophobicContact CB-CE2 4.03Å; I48-F61 HydrophobicContact CD1-CD2 3.92Å; I48-F61 HydrophobicContact CD1-CE2 3.68Å; I48-F61 HydrophobicContact CG1-CE2 4.33Å; I48-F61 HydrophobicContact CG2-CE2 4.29Å; H59-F61 HydrophobicContact CB-CE2 4.45Å; H59-F61 AromaticContact CE1-CD1 3.37Å; H59-F61 WeakPolarHBondContact CE1-CD1 2.9Å; H59-F61 AromaticContact CE1-CE1 3.4Å; H59-F61 VanDerWaalsContact CE1-CE1 3.4Å; H59-F61 WeakPolarHBondContact CE1-CE1 3.4Å; H59-F61 AromaticContact ND1-CD1 3.35Å; H59-F61 VanDerWaalsContact ND1-CD1 3.35Å; H59-F61 WeakPolarHBondContact ND1-CD1 3.04Å; H59-F61 AromaticContact ND1-CD2 3.92Å; H59-F61 AromaticContact ND1-CE1 3.06Å; H59-F61 WeakPolarHBondContact ND1-CE1 3.49Å; H59-F61 AromaticContact ND1-CE2 3.67Å; H59-F61 AromaticContact ND1-CG 3.79Å; H59-F61 AromaticContact ND1-CZ 3.25Å; H59-F61 VanDerWaalsContact ND1-CZ 3.25Å; H59-F61 WeakPolarHBondContact ND1-CZ 3.36Å; F61-R406 PolarHBondContact O-NH1 2.75Å; F61-I408 HydrophobicContact CE2-CG2 4.38Å; F61-I416 HydrophobicContact CE1-CG2 4.25Å; F61-I416 HydrophobicContact CZ-CD1 4.28Å; F61-I416 HydrophobicContact CZ-CG2 4.15Å; F61-V418 HydrophobicContact CB-CG2 4.28Å; F61-V418 HydrophobicContact CD1-CG2 3.94Å; F61-V418 HydrophobicContact CE1-CG2 4.34Å; F61-V418 HydrophobicContact CG-CG2 4.04Å; F61-R431 VanDerWaalsContact C-NH1 3.34Å; F61-R431 PolarHBondContact O-NH1 3.49Å; F61-R431 VanDerWaalsContact O-NH1 3.1Å; F61-H433 AromaticContact CD1-NE2 3.44Å; F61-H433 WeakPolarHBondContact CD1-NE2 3.32Å; F61-H433 AromaticContact CE1-CD2 3.72Å; F61-H433 AromaticContact CE1-NE2 3.28Å; F61-H433 VanDerWaalsContact CE1-NE2 3.28Å; F61-H433 WeakPolarHBondContact CE1-NE2 3.36Å |
| 62 | E | 82.1 | Confident | 89.5 | Confident | 87 Ų | 87 | 40 Ų | 40 | 41% | 0.407 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -47.9 | 164.1 | -64.9 | 179.4 | 141.8 | 0 | 0 | 109.5 | S60 R404 R431 | S60-E62 PolarHBondContact O-N 2.75Å; S60-E62 PolarHBondContact OG-N 2.94Å; E62-R404 WeakPolarHBondContact OE1-CD 3.49Å; E62-R404 IonicContact OE1-CZ 3.93Å; E62-R404 IonicContact OE1-NE 3.7Å; E62-R404 PolarHBondContact OE1-NE 2.83Å; E62-R431 VanDerWaalsContact C-NH1 3.3Å; E62-R431 PolarHBondContact O-NH1 2.79Å; E62-R431 PolarHBondContact O-NH2 3.44Å |
| 63 | N | 81.8 | Confident | 88.7 | Confident | 83 Ų | 83 | 41.5 Ų | 41.5 | 44% | 0.444 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 9.6 | -171.3 | 60.3 | 36.2 | 0 | 0 | 0 | 114.3 | S60 R65 | S60-N63 WeakPolarHBondContact CB-OD1 3.17Å; S60-N63 PolarHBondContact O-N 3.19Å; S60-N63 PolarHBondContact OG-OD1 2.89Å; N63-R65 HydrophobicContact CB-CG 4.47Å; N63-R65 PolarHBondContact O-N 3.5Å; N63-R65 VanDerWaalsContact O-N 3.14Å; N63-R65 WeakPolarHBondContact OD1-CB 3.01Å; N63-R65 VanDerWaalsContact OD1-CG 3.24Å; N63-R65 WeakPolarHBondContact OD1-CG 3.43Å; N63-R65 PolarHBondContact OD1-N 3.17Å; N63-R65 VanDerWaalsContact OD1-N 3.1Å |
| 64 | E | 82.7 | Confident | 88.3 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23 | 179.6 | -59.1 | -60.3 | 114.7 | 0 | 0 | 114.5 | H59 S60 R431 H433 | H59-E64 IonicContact CE1-OE2 3.85Å; H59-E64 IonicContact NE2-OE2 3.01Å; S60-E64 WeakPolarHBondContact O-CA 3.47Å; S60-E64 PolarHBondContact O-N 2.78Å; E64-R431 WeakPolarHBondContact OE1-CD 3.43Å; E64-R431 IonicContact OE1-CZ 2.68Å; E64-R431 IonicContact OE1-NE 3.95Å; E64-R431 IonicContact OE1-NH1 3.25Å; E64-R431 PolarHBondContact OE1-NH1 3.01Å; E64-H433 IonicContact OE2-CE1 3.49Å; E64-H433 PolarHBondContact OE2-CE1 3.4Å; E64-H433 VanDerWaalsContact OE2-CE1 3.27Å; E64-H433 IonicContact OE2-NE2 3.4Å |
| 65 | R | 88.2 | Confident | 88.2 | Confident | 182 Ų | 182 | 48.6 Ų | 48.6 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.4 | 178.1 | -64.9 | 179.1 | 176.9 | -170.3 | -1.9 | 111.2 | H59 S60 N63 | H59-R65 PolarHBondContact CD2-O 3.15Å; S60-R65 PolarHBondContact N-O 3.07Å; S60-R65 VanDerWaalsContact N-O 3.1Å; N63-R65 HydrophobicContact CB-CG 4.47Å; N63-R65 PolarHBondContact O-N 3.5Å; N63-R65 VanDerWaalsContact O-N 3.14Å; N63-R65 WeakPolarHBondContact OD1-CB 3.01Å; N63-R65 VanDerWaalsContact OD1-CG 3.24Å; N63-R65 WeakPolarHBondContact OD1-CG 3.43Å; N63-R65 PolarHBondContact OD1-N 3.17Å; N63-R65 VanDerWaalsContact OD1-N 3.1Å |
| 66 | Q | 92.9 | Very high | 88.1 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 148.8 | 167.1 | -64.4 | -178.3 | -6.1 | 0 | 0 | 111 | V28 V57 L58 H59 F68 | V28-Q66 PolarHBondContact O-NE2 3.27Å; V28-Q66 PolarHBondContact O-OE1 2.94Å; V57-Q66 HydrophobicContact CG1-CB 4.23Å; V57-Q66 HydrophobicContact CG1-CG 4.04Å; L58-Q66 CarbonylContact O-C 3.58Å; L58-Q66 VanDerWaalsContact O-CA 3.29Å; L58-Q66 WeakPolarHBondContact O-CA 3.47Å; H59-Q66 VanDerWaalsContact CD2-CG 3.5Å; H59-Q66 WeakPolarHBondContact CD2-CG 3.48Å; Q66-F68 HydrophobicContact CB-CE1 3.8Å; Q66-F68 HydrophobicContact CB-CZ 3.58Å |
| 67 | Q | 93.1 | Very high | 88 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 158.9 | 164.6 | -63.7 | 177.5 | -36.3 | 0 | 0 | 108.7 | L58 | L58-Q67 HydrophobicContact CB-CB 4.21Å; L58-Q67 HydrophobicContact CD1-CB 4.41Å; L58-Q67 PolarHBondContact N-O 2.69Å; L58-Q67 PolarHBondContact O-N 3.34Å |
| 68 | F | 94.3 | Very high | 87.9 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.7 | -167.5 | -49.2 | -66.3 | 0 | 0 | 0 | 112.2 | L25 E26 V28 V55 V57 Q66 Q70 | L25-F68 HydrophobicContact CB-CD2 4.18Å; L25-F68 HydrophobicContact CD2-CB 4.26Å; L25-F68 HydrophobicContact CD2-CD1 4.07Å; L25-F68 HydrophobicContact CD2-CD2 4.13Å; L25-F68 HydrophobicContact CD2-CG 3.85Å; L25-F68 HydrophobicContact CG-CD1 4.49Å; L25-F68 HydrophobicContact CG-CD2 3.92Å; L25-F68 HydrophobicContact CG-CE2 4.08Å; L25-F68 HydrophobicContact CG-CG 4.15Å; L25-F68 HydrophobicContact CG-CZ 4.45Å; L25-F68 WeakPolarHBondContact O-CD2 3.24Å; L25-F68 WeakPolarHBondContact O-CE2 3.48Å; E26-F68 WeakPolarHBondContact O-CE2 3.16Å; E26-F68 WeakPolarHBondContact O-CZ 3.4Å; V28-F68 HydrophobicContact CB-CE1 4.17Å; V28-F68 HydrophobicContact CG2-CD1 4.03Å; V28-F68 HydrophobicContact CG2-CE1 3.69Å; V28-F68 HydrophobicContact CG2-CZ 4.44Å; V55-F68 HydrophobicContact CG1-CB 3.87Å; V55-F68 HydrophobicContact CG1-CD1 4.08Å; V55-F68 HydrophobicContact CG1-CG 4.39Å; V57-F68 HydrophobicContact CG1-CD1 4.39Å; V57-F68 HydrophobicContact CG1-CE1 4.06Å; V57-F68 HydrophobicContact CG2-CD1 4.13Å; V57-F68 HydrophobicContact CG2-CE1 4.23Å; Q66-F68 HydrophobicContact CB-CE1 3.8Å; Q66-F68 HydrophobicContact CB-CZ 3.58Å; F68-Q70 HydrophobicContact CB-CG 4.46Å |
| 69 | I | 93.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117 | 167 | -69.6 | 171.9 | 0 | 0 | 0 | 107.4 | V55 T56 L58 L89 W103 H108 | V55-I69 WeakPolarHBondContact CA-O 3.48Å; T56-I69 PolarHBondContact N-O 2.76Å; T56-I69 PolarHBondContact O-N 3.4Å; L58-I69 HydrophobicContact CD1-CD1 4.04Å; L58-I69 HydrophobicContact CD1-CG1 4.45Å; L58-I69 HydrophobicContact CG-CD1 4.48Å; I69-L89 HydrophobicContact CD1-CD2 3.84Å; I69-W103 HydrophobicContact CD1-CB 4.15Å; I69-W103 HydrophobicContact CD1-CG 4.38Å; I69-W103 HydrophobicContact CG2-CD2 3.34Å; I69-W103 VanDerWaalsContact CG2-CE2 3.45Å; I69-W103 HydrophobicContact CG2-CE3 3.52Å; I69-W103 HydrophobicContact CG2-CG 3.83Å; I69-W103 HydrophobicContact CG2-CH2 3.95Å; I69-W103 HydrophobicContact CG2-CZ2 3.77Å; I69-W103 HydrophobicContact CG2-CZ3 3.82Å; I69-H108 HydrophobicContact CG1-CB 4.1Å |
| 70 | Q | 86.4 | Confident | 88.1 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.5 | -175.1 | -50.7 | -164.7 | -77 | 0 | 0 | 110.7 | V55 F68 Y878 | V55-Q70 HydrophobicContact CG1-CG 4.3Å; V55-Q70 HydrophobicContact CG2-CB 4.48Å; V55-Q70 HydrophobicContact CG2-CG 3.95Å; F68-Q70 HydrophobicContact CB-CG 4.46Å; Q70-Y878 PolarHBondContact NE2-O 3.09Å |
| 71 | S | 76.2 | Confident | 88.4 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | trans | -78.7 | 125.5 | 178.5 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | C54 S73 R74 E93 R101 | C54-S71 PolarHBondContact O-N 3.5Å; S71-S73 PolarHBondContact O-N 3.39Å; S71-S73 VanDerWaalsContact O-N 3.12Å; S71-S73 PolarHBondContact OG-N 3.05Å; S71-S73 PolarHBondContact OG-OG 2.78Å; S71-R74 PolarHBondContact O-N 2.81Å; S71-R74 VanDerWaalsContact O-N 3.08Å; S71-E93 PolarHBondContact OG-OE1 3.35Å; S71-R101 WeakPolarHBondContact OG-CD 3.22Å; S71-R101 PolarHBondContact OG-NE 3.31Å | ||
| 72 | Q | 74.8 | Confident | 88.9 | Confident | 172 Ų | 172 | 50.6 Ų | 50.6 | 80% | 0.804 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.1 | 175 | -62.3 | -174.4 | 12.5 | 0 | 0 | 113 | R74 | Q72-R74 PolarHBondContact O-N 3.27Š|
| 73 | S | 78.7 | Confident | 89.6 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 22% | 0.217 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21 | 176.5 | 77.8 | 0 | 0 | 0 | 0 | 113.5 | S71 K75 E93 | S71-S73 PolarHBondContact O-N 3.39Å; S71-S73 VanDerWaalsContact O-N 3.12Å; S71-S73 PolarHBondContact OG-N 3.05Å; S71-S73 PolarHBondContact OG-OG 2.78Å; S73-K75 PolarHBondContact O-N 3.19Å; S73-K75 WeakPolarHBondContact OG-CB 3.41Å; S73-K75 PolarHBondContact OG-N 3.41Å; S73-K75 VanDerWaalsContact OG-N 3.08Å; S73-E93 VanDerWaalsContact CB-OE1 3.29Å; S73-E93 WeakPolarHBondContact CB-OE1 3.09Å; S73-E93 VanDerWaalsContact OG-CD 3.29Å; S73-E93 PolarHBondContact OG-OE1 2.89Å |
| 74 | R | 82.5 | Confident | 90.1 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 37% | 0.366 | 22% | 0.215 | S | C | . | . | trans | 58.3 | 17.1 | -171 | -55.9 | 172 | -72 | 136.2 | -3.6 | 114.1 | S71 Q72 D860 Y878 | S71-R74 PolarHBondContact O-N 2.81Å; S71-R74 VanDerWaalsContact O-N 3.08Å; Q72-R74 PolarHBondContact O-N 3.27Å; R74-D860 PolarHBondContact NH1-O 3.43Å; R74-Y878 HydrophobicContact CG-CD1 4.22Å; R74-Y878 HydrophobicContact CG-CD2 4.17Å; R74-Y878 HydrophobicContact CG-CG 3.89Å | ||
| 75 | K | 89.9 | Confident | 90.5 | Very high | 55 Ų | 55 | 44.8 Ų | 44.8 | 24% | 0.239 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -81.2 | 145.1 | 176 | -63.2 | -175.7 | -167 | -177.4 | 0 | 110.9 | C54 S73 I77 E93 H96 Q97 | C54-K75 WeakPolarHBondContact CA-O 3.2Å; C54-K75 WeakPolarHBondContact CB-O 3.45Å; S73-K75 PolarHBondContact O-N 3.19Å; S73-K75 WeakPolarHBondContact OG-CB 3.41Å; S73-K75 PolarHBondContact OG-N 3.41Å; S73-K75 VanDerWaalsContact OG-N 3.08Å; K75-I77 PolarHBondContact O-N 2.85Å; K75-E93 HydrophobicContact CB-CB 3.98Å; K75-E93 HydrophobicContact CB-CG 4.19Å; K75-E93 HydrophobicContact CD-CB 4.36Å; K75-H96 PolarHBondContact NZ-O 3.07Å; K75-Q97 PolarHBondContact NZ-O 2.65Å |
| 76 | A | 92.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 135.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | G53 E93 S94 | G53-A76 WeakPolarHBondContact O-CA 3.46Å; A76-E93 CarbonylContact O-C 3.58Å; A76-E93 WeakPolarHBondContact O-CA 3.49Å; A76-S94 PolarHBondContact O-N 2.74Å |
| 77 | I | 95.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.2 | 176.5 | -55.2 | -55.6 | 0 | 0 | 0 | 109 | A51 G53 K75 V80 E93 | A51-I77 HydrophobicContact CB-CB 4.05Å; A51-I77 HydrophobicContact CB-CG2 4.07Å; A51-I77 WeakPolarHBondContact CB-O 3.23Å; G53-I77 PolarHBondContact O-N 3.15Å; K75-I77 PolarHBondContact O-N 2.85Å; I77-V80 HydrophobicContact CG2-CG2 3.78Å; I77-E93 HydrophobicContact CD1-CG 4.19Å |
| 78 | T | 94.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | -5.3 | -172.5 | 46.9 | 0 | 0 | 0 | 0 | 115.3 | G92 E93 R120 V121 | T78-G92 PolarHBondContact N-O 3.39Å; T78-G92 PolarHBondContact OG1-O 2.73Å; T78-E93 PolarHBondContact OG1-O 3.22Å; T78-R120 VanDerWaalsContact CB-NE 3.34Å; T78-R120 HydrophobicContact CG2-CG 4.5Å; T78-R120 PolarHBondContact O-NH2 2.84Å; T78-V121 PolarHBondContact OG1-O 2.93Å |
| 79 | A | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 145 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | C37 T91 G92 V124 | C37-A79 CarbonylContact O-C 3.56Å; C37-A79 VanDerWaalsContact O-CA 3.26Å; C37-A79 WeakPolarHBondContact O-CA 3.45Å; A79-T91 CarbonylContact O-C 3.57Å; A79-T91 WeakPolarHBondContact O-CA 3.36Å; A79-G92 PolarHBondContact N-O 3.35Å; A79-G92 PolarHBondContact O-N 2.86Å; A79-V124 HydrophobicContact CB-CB 4.49Å; A79-V124 HydrophobicContact CB-CG1 4.23Å; A79-V124 HydrophobicContact CB-CG2 4.02Å |
| 80 | V | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 138.2 | -179 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | C37 A40 A49 T56 I77 L89 A90 R125 | C37-V80 PolarHBondContact O-N 3.31Å; A40-V80 HydrophobicContact CB-CG1 4.04Å; A49-V80 HydrophobicContact CB-CG1 3.71Å; T56-V80 HydrophobicContact CG2-CG1 3.98Å; T56-V80 HydrophobicContact CG2-CG2 4.06Å; I77-V80 HydrophobicContact CG2-CG2 3.78Å; V80-L89 HydrophobicContact CG1-CD1 3.84Å; V80-L89 HydrophobicContact CG1-CD2 4.13Å; V80-L89 HydrophobicContact CG1-CG 4.1Å; V80-A90 WeakPolarHBondContact CA-O 3.24Å; V80-R125 PolarHBondContact O-NH1 2.87Å |
| 81 | D | 97.9 | Very high | 91.7 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 151.1 | 171.9 | -154.3 | 48.5 | 0 | 0 | 0 | 112.7 | L89 A90 V124 R125 F126 | D81-L89 CarbonylContact O-C 3.5Å; D81-L89 WeakPolarHBondContact O-CA 3.27Å; D81-L89 VanDerWaalsContact O-CD1 3.31Å; D81-L89 WeakPolarHBondContact O-CD1 3.34Å; D81-A90 PolarHBondContact N-O 3.27Å; D81-A90 PolarHBondContact O-N 3.44Å; D81-V124 HydrophobicContact CB-CG2 4.08Å; D81-R125 VanDerWaalsContact CG-CD 3.47Å; D81-R125 VanDerWaalsContact OD1-CD 3.32Å; D81-R125 WeakPolarHBondContact OD1-CD 3.39Å; D81-R125 IonicContact OD1-CZ 3.61Å; D81-R125 IonicContact OD1-NE 3.75Å; D81-R125 IonicContact OD1-NH1 2.69Å; D81-R125 PolarHBondContact OD1-NH1 3.29Å; D81-R125 WeakPolarHBondContact OD2-CA 3.41Å; D81-R125 WeakPolarHBondContact OD2-CD 3.38Å; D81-F126 HydrophobicContact CB-CD2 4.19Å; D81-F126 WeakPolarHBondContact O-CE2 3.28Å; D81-F126 PolarHBondContact OD2-N 2.95Å |
| 82 | F | 97.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 149.7 | 173 | -80.9 | -75.7 | 0 | 0 | 0 | 111 | A40 L47 A49 L58 Y88 L89 V105 F126 | A40-F82 HydrophobicContact CB-CD2 3.64Å; A40-F82 HydrophobicContact CB-CE2 4.19Å; A40-F82 HydrophobicContact CB-CG 4.47Å; L47-F82 HydrophobicContact CB-CZ 4.03Å; L47-F82 WeakPolarHBondContact O-CE2 3.41Å; A49-F82 HydrophobicContact CB-CD2 4.4Å; A49-F82 HydrophobicContact CB-CE2 3.61Å; A49-F82 HydrophobicContact CB-CZ 3.76Å; L58-F82 HydrophobicContact CD2-CE1 4.46Å; L58-F82 HydrophobicContact CD2-CZ 4.1Å; F82-Y88 WeakPolarHBondContact CA-O 3.4Å; F82-L89 HydrophobicContact CD1-CD1 3.49Å; F82-L89 VanDerWaalsContact CD1-CD1 3.49Å; F82-L89 HydrophobicContact CD2-CD1 4.08Å; F82-L89 HydrophobicContact CE1-CD1 3.6Å; F82-L89 HydrophobicContact CE2-CD1 4.19Å; F82-L89 HydrophobicContact CG-CD1 3.75Å; F82-L89 HydrophobicContact CZ-CD1 3.97Å; F82-V105 HydrophobicContact CD1-CG2 4.14Å; F82-V105 HydrophobicContact CE1-CG1 4.38Å; F82-V105 HydrophobicContact CE1-CG2 3.89Å; F82-F126 VanDerWaalsContact O-CD2 3.22Å; F82-F126 WeakPolarHBondContact O-CD2 3.46Å |
| 83 | S | 95.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | trans | -64.7 | 155.2 | 163.2 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | D85 G86 K87 Y88 D130 | S83-D85 WeakPolarHBondContact CB-OD1 3.16Å; S83-D85 PolarHBondContact O-N 2.81Å; S83-D85 VanDerWaalsContact O-N 3.11Å; S83-D85 PolarHBondContact OG-OD1 2.65Å; S83-G86 PolarHBondContact O-N 2.71Å; S83-G86 PolarHBondContact OG-N 2.89Å; S83-K87 PolarHBondContact OG-N 3.49Å; S83-Y88 PolarHBondContact N-O 3.37Å; S83-Y88 PolarHBondContact OG-N 2.97Å; S83-Y88 PolarHBondContact OG-O 3.08Å; S83-D130 WeakPolarHBondContact CA-OD1 3.39Å; S83-D130 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 84 | S | 92.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 24.8 Ų | 24.8 | 41% | 0.406 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.7 | 176.3 | 86.9 | 0 | 0 | 0 | 0 | 112.2 | K44 D130 | K44-S84 WeakPolarHBondContact CD-O 3.45Å; K44-S84 VanDerWaalsContact CE-O 3.24Å; K44-S84 WeakPolarHBondContact CE-O 3.2Å; K44-S84 PolarHBondContact NZ-O 3.14Å; S84-D130 WeakPolarHBondContact CB-OD2 3.2Å; S84-D130 PolarHBondContact N-OD1 3.2Å; S84-D130 PolarHBondContact N-OD2 2.75Å; S84-D130 PolarHBondContact OG-OD2 2.94Å |
| 85 | D | 90.2 | Very high | 94.6 | Very high | 39 Ų | 39 | 21.6 Ų | 21.6 | 21% | 0.209 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.4 | 176.9 | 81.2 | -16.3 | 0 | 0 | 0 | 115.1 | S83 K87 D130 | S83-D85 WeakPolarHBondContact CB-OD1 3.16Å; S83-D85 PolarHBondContact O-N 2.81Å; S83-D85 VanDerWaalsContact O-N 3.11Å; S83-D85 PolarHBondContact OG-OD1 2.65Å; D85-K87 PolarHBondContact O-N 3.27Å; D85-K87 PolarHBondContact OD1-N 2.9Å; D85-K87 WeakPolarHBondContact OD2-CD 3.32Å; D85-K87 WeakPolarHBondContact OD2-CG 3.46Å; D85-K87 IonicContact OD2-NZ 2.82Å; D85-K87 PolarHBondContact OD2-NZ 3.32Å; D85-D130 PolarHBondContact N-OD2 2.84Å |
| 86 | G | 92.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 68.6 | 3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S83 | S83-G86 PolarHBondContact O-N 2.71Å; S83-G86 PolarHBondContact OG-N 2.89Å |
| 87 | K | 94.2 | Very high | 94.4 | Very high | 118 Ų | 118 | 30.1 Ų | 30.1 | 51% | 0.513 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -83.3 | -23.2 | -179.5 | -58.6 | -164.3 | -159.2 | 88.5 | 0 | 113.2 | S83 D85 N104 V105 | S83-K87 PolarHBondContact OG-N 3.49Å; D85-K87 PolarHBondContact O-N 3.27Å; D85-K87 PolarHBondContact OD1-N 2.9Å; D85-K87 WeakPolarHBondContact OD2-CD 3.32Å; D85-K87 WeakPolarHBondContact OD2-CG 3.46Å; D85-K87 IonicContact OD2-NZ 2.82Å; D85-K87 PolarHBondContact OD2-NZ 3.32Å; K87-N104 PolarHBondContact O-OD1 3.31Å; K87-V105 WeakPolarHBondContact O-CG2 3.39Å; K87-V105 PolarHBondContact O-N 3.29Å |
| 88 | Y | 95.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 30 Ų | 30 | 24% | 0.239 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.7 | -175.6 | -51.2 | -79.7 | 0 | 0 | 0 | 111.5 | F82 S83 W103 L111 R149 | F82-Y88 WeakPolarHBondContact CA-O 3.4Å; S83-Y88 PolarHBondContact N-O 3.37Å; S83-Y88 PolarHBondContact OG-N 2.97Å; S83-Y88 PolarHBondContact OG-O 3.08Å; Y88-W103 VanDerWaalsContact CA-O 3.25Å; Y88-W103 WeakPolarHBondContact CA-O 3.49Å; Y88-L111 HydrophobicContact CD1-CD1 3.5Å; Y88-L111 VanDerWaalsContact CD1-CD1 3.5Å; Y88-L111 HydrophobicContact CE1-CD1 3.47Å; Y88-L111 VanDerWaalsContact CE1-CD1 3.47Å; Y88-R149 VanDerWaalsContact CE2-NH1 3.25Å |
| 89 | L | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137 | 174.1 | -165.1 | 81.4 | 0 | 0 | 0 | 109.3 | A49 T56 L58 I69 V80 D81 F82 T91 L102 W103 V105 | A49-L89 HydrophobicContact CB-CD1 3.71Å; A49-L89 HydrophobicContact CB-CD2 4.34Å; T56-L89 HydrophobicContact CG2-CD2 3.89Å; L58-L89 HydrophobicContact CD2-CD2 4.17Å; I69-L89 HydrophobicContact CD1-CD2 3.84Å; V80-L89 HydrophobicContact CG1-CD1 3.84Å; V80-L89 HydrophobicContact CG1-CD2 4.13Å; V80-L89 HydrophobicContact CG1-CG 4.1Å; D81-L89 CarbonylContact O-C 3.5Å; D81-L89 WeakPolarHBondContact O-CA 3.27Å; D81-L89 VanDerWaalsContact O-CD1 3.31Å; D81-L89 WeakPolarHBondContact O-CD1 3.34Å; F82-L89 HydrophobicContact CD1-CD1 3.49Å; F82-L89 VanDerWaalsContact CD1-CD1 3.49Å; F82-L89 HydrophobicContact CD2-CD1 4.08Å; F82-L89 HydrophobicContact CE1-CD1 3.6Å; F82-L89 HydrophobicContact CE2-CD1 4.19Å; F82-L89 HydrophobicContact CG-CD1 3.75Å; F82-L89 HydrophobicContact CZ-CD1 3.97Å; L89-T91 HydrophobicContact CD2-CG2 3.94Å; L89-T91 HydrophobicContact CG-CG2 4.42Å; L89-L102 WeakPolarHBondContact O-CA 3.45Å; L89-W103 HydrophobicContact CB-CB 4.37Å; L89-W103 PolarHBondContact N-O 2.75Å; L89-W103 PolarHBondContact O-N 2.99Å; L89-V105 HydrophobicContact CB-CG2 4.01Å |
| 90 | A | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V80 D81 R101 V124 F126 L133 | V80-A90 WeakPolarHBondContact CA-O 3.24Å; D81-A90 PolarHBondContact N-O 3.27Å; D81-A90 PolarHBondContact O-N 3.44Å; A90-R101 WeakPolarHBondContact CA-O 2.94Å; A90-V124 HydrophobicContact CB-CB 4.5Å; A90-V124 HydrophobicContact CB-CG2 4.07Å; A90-F126 HydrophobicContact CB-CD2 4.32Å; A90-F126 HydrophobicContact CB-CE2 3.53Å; A90-F126 HydrophobicContact CB-CZ 3.79Å; A90-L133 HydrophobicContact CB-CD1 3.52Å; A90-L133 HydrophobicContact CB-CD2 3.93Å; A90-L133 HydrophobicContact CB-CG 4.39Å |
| 91 | T | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.2 | 177.2 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | T56 A79 L89 V100 R101 W103 | T56-T91 WeakPolarHBondContact OG1-CG2 3.41Å; A79-T91 CarbonylContact O-C 3.57Å; A79-T91 WeakPolarHBondContact O-CA 3.36Å; L89-T91 HydrophobicContact CD2-CG2 3.94Å; L89-T91 HydrophobicContact CG-CG2 4.42Å; T91-V100 CarbonylContact O-C 3.59Å; T91-V100 WeakPolarHBondContact O-CA 3.38Å; T91-R101 PolarHBondContact N-O 2.82Å; T91-R101 PolarHBondContact O-N 3.09Å; T91-W103 PolarHBondContact OG1-NE1 3.39Å |
| 92 | G | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 134.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T78 A79 | T78-G92 PolarHBondContact N-O 3.39Å; T78-G92 PolarHBondContact OG1-O 2.73Å; A79-G92 PolarHBondContact N-O 3.35Å; A79-G92 PolarHBondContact O-N 2.86Å |
| 93 | E | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 168.5 | -178.1 | -62.6 | 179.1 | 151.3 | 0 | 0 | 114 | S71 S73 K75 A76 I77 T78 P98 M99 R101 V121 | S71-E93 PolarHBondContact OG-OE1 3.35Å; S73-E93 VanDerWaalsContact CB-OE1 3.29Å; S73-E93 WeakPolarHBondContact CB-OE1 3.09Å; S73-E93 VanDerWaalsContact OG-CD 3.29Å; S73-E93 PolarHBondContact OG-OE1 2.89Å; K75-E93 HydrophobicContact CB-CB 3.98Å; K75-E93 HydrophobicContact CB-CG 4.19Å; K75-E93 HydrophobicContact CD-CB 4.36Å; A76-E93 CarbonylContact O-C 3.58Å; A76-E93 WeakPolarHBondContact O-CA 3.49Å; I77-E93 HydrophobicContact CD1-CG 4.19Å; T78-E93 PolarHBondContact OG1-O 3.22Å; E93-P98 HydrophobicContact CB-CB 3.82Å; E93-P98 WeakPolarHBondContact O-CB 3.46Å; E93-M99 WeakPolarHBondContact CB-O 3.33Å; E93-M99 WeakPolarHBondContact CG-O 3.46Å; E93-M99 PolarHBondContact N-O 3.47Å; E93-M99 WeakPolarHBondContact OE2-CB 3.46Å; E93-M99 PolarHBondContact OE2-N 3.38Å; E93-R101 IonicContact OE1-CZ 3.86Å; E93-R101 IonicContact OE1-NE 2.78Å; E93-R101 PolarHBondContact OE1-NE 2.54Å; E93-R101 IonicContact OE1-NH2 3.71Å; E93-R101 IonicContact OE2-NE 3.74Å; E93-R101 IonicContact OE2-NH2 2.82Å; E93-V121 PolarHBondContact O-N 3.37Å |
| 94 | S | 93 | Very high | 94.1 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 12% | 0.119 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.4 | 170.7 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | A76 | A76-S94 PolarHBondContact O-N 2.74Å |
| 95 | G | 88.8 | Confident | 94.1 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 32% | 0.32 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 118.5 | 172.1 | -172 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q97 P98 F119 | G95-Q97 PolarHBondContact O-N 2.75Å; G95-P98 WeakPolarHBondContact O-CD 3.45Å; G95-F119 PolarHBondContact N-O 2.98Å |
| 96 | H | 87.5 | Confident | 94.2 | Very high | 136 Ų | 136 | 33.9 Ų | 33.9 | 63% | 0.63 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -52.1 | 127.3 | -177.3 | -177.6 | -91.7 | 0 | 0 | 0 | 112.3 | K75 H118 | K75-H96 PolarHBondContact NZ-O 3.07Å; H96-H118 WeakPolarHBondContact CA-O 3.27Å |
| 97 | Q | 89.9 | Confident | 94.1 | Very high | 114 Ų | 114 | 37.4 Ų | 37.4 | 53% | 0.533 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 49.6 | 64.8 | -175.4 | -66.6 | 168.4 | -19.6 | 0 | 0 | 112.5 | K75 G95 H118 | K75-Q97 PolarHBondContact NZ-O 2.65Å; G95-Q97 PolarHBondContact O-N 2.75Å; Q97-H118 PolarHBondContact N-O 2.96Å |
| 98 | P | 94.2 | Very high | 94 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 140.3 | -179.8 | 32.9 | -32 | 0 | 0 | 0 | 110.3 | E93 G95 H117 H118 V121 | E93-P98 HydrophobicContact CB-CB 3.82Å; E93-P98 WeakPolarHBondContact O-CB 3.46Å; G95-P98 WeakPolarHBondContact O-CD 3.45Å; P98-H117 WeakPolarHBondContact CD-O 3.25Å; P98-H117 HydrophobicContact CG-CB 4.14Å; P98-H118 VanDerWaalsContact CD-C 3.43Å; P98-V121 HydrophobicContact CB-CG2 4.3Å; P98-V121 HydrophobicContact CG-CG2 4.32Å |
| 99 | M | 94.7 | Very high | 93.8 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 24% | 0.236 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -91.6 | 154.5 | 172.6 | -59.1 | -55.1 | -176.6 | 0 | 0 | 111.1 | E93 R101 E113 G115 | E93-M99 WeakPolarHBondContact CB-O 3.33Å; E93-M99 WeakPolarHBondContact CG-O 3.46Å; E93-M99 PolarHBondContact N-O 3.47Å; E93-M99 WeakPolarHBondContact OE2-CB 3.46Å; E93-M99 PolarHBondContact OE2-N 3.38Å; M99-R101 HydrophobicContact CB-CG 4.26Å; M99-E113 HydrophobicContact CB-CB 4.35Å; M99-E113 HydrophobicContact CG-CB 4.45Å; M99-G115 WeakPolarHBondContact SD-CA 3.36Å |
| 100 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.9 | 148.2 | -175.4 | 0 | 0 | 0 | 0 | 106.9 | T91 E113 F114 V121 V124 L133 | T91-V100 CarbonylContact O-C 3.59Å; T91-V100 WeakPolarHBondContact O-CA 3.38Å; V100-E113 CarbonylContact O-C 3.56Å; V100-E113 VanDerWaalsContact O-CA 3.27Å; V100-E113 WeakPolarHBondContact O-CA 3.48Å; V100-F114 HydrophobicContact CB-CB 4.21Å; V100-F114 HydrophobicContact CB-CD2 3.9Å; V100-F114 HydrophobicContact CG1-CD2 3.96Å; V100-F114 HydrophobicContact CG1-CE2 4.45Å; V100-F114 PolarHBondContact N-O 2.82Å; V100-F114 PolarHBondContact O-N 2.9Å; V100-V121 HydrophobicContact CG2-CG1 4.03Å; V100-V121 HydrophobicContact CG2-CG2 3.89Å; V100-V124 HydrophobicContact CG1-CG1 3.94Å; V100-V124 HydrophobicContact CG2-CG1 4.15Å; V100-L133 HydrophobicContact CG1-CD2 3.63Å |
| 101 | R | 95.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 42 Ų | 42 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.4 | 175.7 | -64.8 | 178.7 | -173.1 | -77 | -26.5 | 110.4 | S71 A90 T91 E93 M99 W103 E113 | S71-R101 WeakPolarHBondContact OG-CD 3.22Å; S71-R101 PolarHBondContact OG-NE 3.31Å; A90-R101 WeakPolarHBondContact CA-O 2.94Å; T91-R101 PolarHBondContact N-O 2.82Å; T91-R101 PolarHBondContact O-N 3.09Å; E93-R101 IonicContact OE1-CZ 3.86Å; E93-R101 IonicContact OE1-NE 2.78Å; E93-R101 PolarHBondContact OE1-NE 2.54Å; E93-R101 IonicContact OE1-NH2 3.71Å; E93-R101 IonicContact OE2-NE 3.74Å; E93-R101 IonicContact OE2-NH2 2.82Å; M99-R101 HydrophobicContact CB-CG 4.26Å; R101-W103 HydrophobicContact CB-CZ2 4.01Å; R101-W103 HydrophobicContact CG-CZ2 4.47Å; R101-E113 HydrophobicContact CG-CB 4.32Å; R101-E113 IonicContact CZ-OE2 2.74Å; R101-E113 IonicContact NH1-OE2 3.93Å; R101-E113 PolarHBondContact NH1-OE2 2.75Å; R101-E113 IonicContact NH2-OE2 3.35Å; R101-E113 PolarHBondContact NH2-OE2 3.04Å |
| 102 | L | 96.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.7 | 172.5 | -176.4 | 68.1 | 0 | 0 | 0 | 109.1 | L89 Q110 L111 A112 F114 F126 R149 | L89-L102 WeakPolarHBondContact O-CA 3.45Å; L102-Q110 CarbonylContact O-C 3.57Å; L102-Q110 WeakPolarHBondContact O-CA 3.31Å; L102-L111 HydrophobicContact CD2-CB 4.14Å; L102-L111 HydrophobicContact CD2-CD1 4.32Å; L102-L111 HydrophobicContact CG-CB 4.24Å; L102-L111 HydrophobicContact CG-CD1 4.36Å; L102-L111 PolarHBondContact O-N 2.84Å; L102-A112 HydrophobicContact CB-CB 4.05Å; L102-A112 HydrophobicContact CD2-CB 4.29Å; L102-A112 PolarHBondContact N-O 2.96Å; L102-A112 PolarHBondContact O-N 3.33Å; L102-F114 HydrophobicContact CB-CE2 4.05Å; L102-F126 HydrophobicContact CD1-CE1 3.97Å; L102-F126 HydrophobicContact CD1-CZ 3.63Å; L102-R149 HydrophobicContact CD1-CG 4.33Å; L102-R149 HydrophobicContact CD2-CG 3.64Å |
| 103 | W | 95.7 | Very high | 93 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.9 | -178.8 | -51.1 | 89.1 | 0 | 0 | 0 | 110.6 | I69 Y88 L89 T91 R101 C109 Q110 | I69-W103 HydrophobicContact CD1-CB 4.15Å; I69-W103 HydrophobicContact CD1-CG 4.38Å; I69-W103 HydrophobicContact CG2-CD2 3.34Å; I69-W103 VanDerWaalsContact CG2-CE2 3.45Å; I69-W103 HydrophobicContact CG2-CE3 3.52Å; I69-W103 HydrophobicContact CG2-CG 3.83Å; I69-W103 HydrophobicContact CG2-CH2 3.95Å; I69-W103 HydrophobicContact CG2-CZ2 3.77Å; I69-W103 HydrophobicContact CG2-CZ3 3.82Å; Y88-W103 VanDerWaalsContact CA-O 3.25Å; Y88-W103 WeakPolarHBondContact CA-O 3.49Å; L89-W103 HydrophobicContact CB-CB 4.37Å; L89-W103 PolarHBondContact N-O 2.75Å; L89-W103 PolarHBondContact O-N 2.99Å; T91-W103 PolarHBondContact OG1-NE1 3.39Å; R101-W103 HydrophobicContact CB-CZ2 4.01Å; R101-W103 HydrophobicContact CG-CZ2 4.47Å; W103-C109 WeakPolarHBondContact CA-O 3.34Å; W103-Q110 HydrophobicContact CD2-CB 4.4Å; W103-Q110 HydrophobicContact CE3-CB 3.78Å; W103-Q110 HydrophobicContact CE3-CG 4.44Å; W103-Q110 HydrophobicContact CH2-CB 4.2Å; W103-Q110 HydrophobicContact CZ3-CB 3.67Å; W103-Q110 HydrophobicContact CZ3-CG 4.43Å |
| 104 | N | 94.5 | Very high | 92.9 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 130 | 157.8 | 170.1 | 12.9 | 0 | 0 | 0 | 108.3 | K87 S106 D107 H108 C109 L111 | K87-N104 PolarHBondContact O-OD1 3.31Å; N104-S106 VanDerWaalsContact C-N 3.3Å; N104-S106 VanDerWaalsContact CG-OG 3.3Å; N104-S106 PolarHBondContact ND2-OG 3.09Å; N104-S106 VanDerWaalsContact ND2-OG 3.11Å; N104-S106 PolarHBondContact O-N 3.23Å; N104-S106 PolarHBondContact OD1-N 3Å; N104-S106 PolarHBondContact OD1-OG 3.25Å; N104-D107 WeakPolarHBondContact CB-OD1 3.33Å; N104-D107 VanDerWaalsContact CG-OD1 3.25Å; N104-D107 PolarHBondContact ND2-OD1 2.91Å; N104-D107 VanDerWaalsContact ND2-OD1 3.13Å; N104-D107 PolarHBondContact ND2-OD2 3.04Å; N104-H108 VanDerWaalsContact O-CA 3.3Å; N104-H108 WeakPolarHBondContact O-CA 3.31Å; N104-H108 PolarHBondContact O-N 2.9Å; N104-H108 VanDerWaalsContact O-N 3.16Å; N104-C109 PolarHBondContact N-O 2.81Å; N104-L111 HydrophobicContact CB-CD1 4.1Å; N104-L111 HydrophobicContact CB-CD2 4.18Å; N104-L111 HydrophobicContact CB-CG 4.27Å |
| 105 | V | 93.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -30.5 | -177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | L47 L58 F82 K87 L89 H108 | L47-V105 HydrophobicContact CD1-CG1 4.39Å; L58-V105 HydrophobicContact CD1-CG1 4.1Å; F82-V105 HydrophobicContact CD1-CG2 4.14Å; F82-V105 HydrophobicContact CE1-CG1 4.38Å; F82-V105 HydrophobicContact CE1-CG2 3.89Å; K87-V105 WeakPolarHBondContact O-CG2 3.39Å; K87-V105 PolarHBondContact O-N 3.29Å; L89-V105 HydrophobicContact CB-CG2 4.01Å; V105-H108 PolarHBondContact O-CE1 3.31Å; V105-H108 VanDerWaalsContact O-CE1 3.25Å; V105-H108 PolarHBondContact O-ND1 3.29Å |
| 106 | S | 92.2 | Very high | 93 | Very high | 102 Ų | 102 | 48.7 Ų | 48.7 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -26.1 | -169.5 | 61.4 | 0 | 0 | 0 | 0 | 115.9 | N104 | N104-S106 VanDerWaalsContact C-N 3.3Å; N104-S106 VanDerWaalsContact CG-OG 3.3Å; N104-S106 PolarHBondContact ND2-OG 3.09Å; N104-S106 VanDerWaalsContact ND2-OG 3.11Å; N104-S106 PolarHBondContact O-N 3.23Å; N104-S106 PolarHBondContact OD1-N 3Å; N104-S106 PolarHBondContact OD1-OG 3.25Å |
| 107 | D | 89.7 | Confident | 93.3 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -0.7 | 176.9 | 61.5 | 15.1 | 0 | 0 | 0 | 112.7 | N104 C109 | N104-D107 WeakPolarHBondContact CB-OD1 3.33Å; N104-D107 VanDerWaalsContact CG-OD1 3.25Å; N104-D107 PolarHBondContact ND2-OD1 2.91Å; N104-D107 VanDerWaalsContact ND2-OD1 3.13Å; N104-D107 PolarHBondContact ND2-OD2 3.04Å; D107-C109 PolarHBondContact O-N 3.02Å; D107-C109 VanDerWaalsContact O-N 3.11Å; D107-C109 PolarHBondContact O-SG 3.03Å; D107-C109 VanDerWaalsContact O-SG 3.33Å; D107-C109 VanDerWaalsContact OD1-CB 3.27Å; D107-C109 WeakPolarHBondContact OD1-CB 3.37Å; D107-C109 PolarHBondContact OD1-N 3.28Å |
| 108 | H | 91.3 | Very high | 93.4 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | trans | 56.1 | 18.2 | -175.1 | -47.9 | -33.7 | 0 | 0 | 0 | 114.4 | I69 N104 V105 | I69-H108 HydrophobicContact CG1-CB 4.1Å; N104-H108 VanDerWaalsContact O-CA 3.3Å; N104-H108 WeakPolarHBondContact O-CA 3.31Å; N104-H108 PolarHBondContact O-N 2.9Å; N104-H108 VanDerWaalsContact O-N 3.16Å; V105-H108 PolarHBondContact O-CE1 3.31Å; V105-H108 VanDerWaalsContact O-CE1 3.25Å; V105-H108 PolarHBondContact O-ND1 3.29Å | ||
| 109 | C | 91.6 | Very high | 93.2 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | trans | -84.5 | 139.7 | -176.7 | -64.7 | 0 | 0 | 0 | 0 | 112 | W103 N104 D107 | W103-C109 WeakPolarHBondContact CA-O 3.34Å; N104-C109 PolarHBondContact N-O 2.81Å; D107-C109 PolarHBondContact O-N 3.02Å; D107-C109 VanDerWaalsContact O-N 3.11Å; D107-C109 PolarHBondContact O-SG 3.03Å; D107-C109 VanDerWaalsContact O-SG 3.33Å; D107-C109 VanDerWaalsContact OD1-CB 3.27Å; D107-C109 WeakPolarHBondContact OD1-CB 3.37Å; D107-C109 PolarHBondContact OD1-N 3.28Å | ||
| 110 | Q | 93 | Very high | 93.1 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.5 | 171 | -169.2 | -177 | -45.9 | 0 | 0 | 109.8 | L102 W103 A112 E113 | L102-Q110 CarbonylContact O-C 3.57Å; L102-Q110 WeakPolarHBondContact O-CA 3.31Å; W103-Q110 HydrophobicContact CD2-CB 4.4Å; W103-Q110 HydrophobicContact CE3-CB 3.78Å; W103-Q110 HydrophobicContact CE3-CG 4.44Å; W103-Q110 HydrophobicContact CH2-CB 4.2Å; W103-Q110 HydrophobicContact CZ3-CB 3.67Å; W103-Q110 HydrophobicContact CZ3-CG 4.43Å; Q110-A112 PolarHBondContact NE2-O 3.35Å; Q110-E113 PolarHBondContact NE2-OE2 3.47Å |
| 111 | L | 93 | Very high | 93 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -35.6 | 179.1 | -55.8 | -178.7 | 0 | 0 | 0 | 112.8 | Y88 L102 N104 | Y88-L111 HydrophobicContact CD1-CD1 3.5Å; Y88-L111 VanDerWaalsContact CD1-CD1 3.5Å; Y88-L111 HydrophobicContact CE1-CD1 3.47Å; Y88-L111 VanDerWaalsContact CE1-CD1 3.47Å; L102-L111 HydrophobicContact CD2-CB 4.14Å; L102-L111 HydrophobicContact CD2-CD1 4.32Å; L102-L111 HydrophobicContact CG-CB 4.24Å; L102-L111 HydrophobicContact CG-CD1 4.36Å; L102-L111 PolarHBondContact O-N 2.84Å; N104-L111 HydrophobicContact CB-CD1 4.1Å; N104-L111 HydrophobicContact CB-CD2 4.18Å; N104-L111 HydrophobicContact CB-CG 4.27Å |
| 112 | A | 93.1 | Very high | 92.9 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 161.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L102 Q110 F114 | L102-A112 HydrophobicContact CB-CB 4.05Å; L102-A112 HydrophobicContact CD2-CB 4.29Å; L102-A112 PolarHBondContact N-O 2.96Å; L102-A112 PolarHBondContact O-N 3.33Å; Q110-A112 PolarHBondContact NE2-O 3.35Å; A112-F114 HydrophobicContact CB-CE2 4.42Å; A112-F114 HydrophobicContact CB-CZ 4.29Å |
| 113 | E | 93 | Very high | 92.9 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.7 | 163.9 | 50.7 | -176.2 | -123.5 | 0 | 0 | 110.5 | M99 V100 R101 Q110 | M99-E113 HydrophobicContact CB-CB 4.35Å; M99-E113 HydrophobicContact CG-CB 4.45Å; V100-E113 CarbonylContact O-C 3.56Å; V100-E113 VanDerWaalsContact O-CA 3.27Å; V100-E113 WeakPolarHBondContact O-CA 3.48Å; R101-E113 HydrophobicContact CG-CB 4.32Å; R101-E113 IonicContact CZ-OE2 2.74Å; R101-E113 IonicContact NH1-OE2 3.93Å; R101-E113 PolarHBondContact NH1-OE2 2.75Å; R101-E113 IonicContact NH2-OE2 3.35Å; R101-E113 PolarHBondContact NH2-OE2 3.04Å; Q110-E113 PolarHBondContact NE2-OE2 3.47Å |
| 114 | F | 94.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.8 | -178.7 | -40.3 | -101.5 | 0 | 0 | 0 | 108.5 | V100 L102 A112 L133 W147 | V100-F114 HydrophobicContact CB-CB 4.21Å; V100-F114 HydrophobicContact CB-CD2 3.9Å; V100-F114 HydrophobicContact CG1-CD2 3.96Å; V100-F114 HydrophobicContact CG1-CE2 4.45Å; V100-F114 PolarHBondContact N-O 2.82Å; V100-F114 PolarHBondContact O-N 2.9Å; L102-F114 HydrophobicContact CB-CE2 4.05Å; A112-F114 HydrophobicContact CB-CE2 4.42Å; A112-F114 HydrophobicContact CB-CZ 4.29Å; F114-L133 HydrophobicContact CD2-CD2 4.21Å; F114-L133 HydrophobicContact CE2-CD2 3.7Å; F114-L133 HydrophobicContact CZ-CD2 4.17Å; F114-W147 HydrophobicContact CB-CD2 3.65Å; F114-W147 HydrophobicContact CB-CE3 3.78Å; F114-W147 HydrophobicContact CB-CG 4.23Å; F114-W147 HydrophobicContact CB-CH2 4.04Å; F114-W147 HydrophobicContact CB-CZ2 3.9Å; F114-W147 HydrophobicContact CB-CZ3 3.95Å; F114-W147 HydrophobicContact CD1-CB 3.69Å; F114-W147 AromaticContact CD1-CD2 3.68Å; F114-W147 HydrophobicContact CD1-CD2 3.68Å; F114-W147 AromaticContact CD1-CE3 3.71Å; F114-W147 HydrophobicContact CD1-CE3 3.71Å; F114-W147 AromaticContact CD1-CG 3.66Å; F114-W147 HydrophobicContact CD1-CG 3.66Å; F114-W147 HydrophobicContact CE1-CB 3.7Å; F114-W147 HydrophobicContact CE1-CG 4.15Å; F114-W147 HydrophobicContact CG-CB 4.48Å; F114-W147 AromaticContact CG-CD2 3.93Å; F114-W147 HydrophobicContact CG-CD2 3.93Å; F114-W147 HydrophobicContact CG-CE3 4.17Å; F114-W147 HydrophobicContact CG-CG 4.04Å |
| 115 | G | 92.5 | Very high | 93.1 | Very high | 40 Ų | 40 | 46 Ų | 46 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | trans | -111.3 | 149.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | M99 W147 | M99-G115 WeakPolarHBondContact SD-CA 3.36Å; G115-W147 WeakPolarHBondContact O-CH2 3.33Å | ||
| 116 | G | 90.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 46 Ų | 46 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | trans | 154.6 | -17.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H118 Y145 | G116-H118 PolarHBondContact O-CE1 3.35Å; G116-H118 VanDerWaalsContact O-CE1 3.27Å; G116-Y145 PolarHBondContact O-OH 2.81Å | ||
| 117 | H | 93.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | trans | -76.3 | 162 | 160.4 | -59.4 | -63.8 | 0 | 0 | 0 | 109.2 | P98 S135 G137 T143 Y145 | P98-H117 WeakPolarHBondContact CD-O 3.25Å; P98-H117 HydrophobicContact CG-CB 4.14Å; H117-S135 PolarHBondContact NE2-O 3.11Å; H117-G137 VanDerWaalsContact CE1-CA 3.41Å; H117-G137 WeakPolarHBondContact CE1-CA 3.39Å; H117-G137 WeakPolarHBondContact ND1-CA 3.46Å; H117-G137 PolarHBondContact NE2-N 2.9Å; H117-T143 PolarHBondContact CE1-OG1 2.99Å; H117-T143 PolarHBondContact ND1-OG1 2.66Å; H117-T143 PolarHBondContact NE2-O 2.93Å; H117-Y145 AromaticContact CE1-CE2 3.65Å; H117-Y145 AromaticContact ND1-CD2 3.81Å; H117-Y145 AromaticContact ND1-CE2 3.55Å; H117-Y145 AromaticContact NE2-CD2 3.38Å; H117-Y145 WeakPolarHBondContact NE2-CD2 3.25Å; H117-Y145 AromaticContact NE2-CE2 3.71Å; H117-Y145 AromaticContact NE2-CG 3.95Å | ||
| 118 | H | 92.1 | Very high | 93.4 | Very high | 98 Ų | 98 | 39.8 Ų | 39.8 | 45% | 0.454 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -118.3 | -30.5 | -172.7 | -50.4 | 87.2 | 0 | 0 | 0 | 112.9 | H96 Q97 P98 G116 D141 | H96-H118 WeakPolarHBondContact CA-O 3.27Å; Q97-H118 PolarHBondContact N-O 2.96Å; P98-H118 VanDerWaalsContact CD-C 3.43Å; G116-H118 PolarHBondContact O-CE1 3.35Å; G116-H118 VanDerWaalsContact O-CE1 3.27Å; H118-D141 VanDerWaalsContact CA-OD1 3.28Å; H118-D141 WeakPolarHBondContact CA-OD1 3.4Å; H118-D141 VanDerWaalsContact CB-OD1 3.31Å; H118-D141 WeakPolarHBondContact CB-OD1 3.1Å; H118-D141 IonicContact CG-OD1 3.93Å; H118-D141 PolarHBondContact N-OD1 2.85Å; H118-D141 IonicContact ND1-OD1 3.17Å |
| 119 | F | 90.3 | Very high | 93.4 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 46% | 0.456 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -121.9 | -50.7 | -172.5 | -58.5 | -72.2 | 0 | 0 | 0 | 115.7 | G95 E140 D141 | G95-F119 PolarHBondContact N-O 2.98Å; F119-E140 HydrophobicContact CD2-CB 3.64Å; F119-E140 HydrophobicContact CE2-CB 3.84Å; F119-E140 HydrophobicContact CG-CB 4.36Å; F119-D141 WeakPolarHBondContact CD2-OD1 3.49Å; F119-D141 PolarHBondContact N-OD1 2.94Å; F119-D141 PolarHBondContact N-OD2 3.44Å |
| 120 | R | 92.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -157.8 | 132.4 | 177.3 | 170.7 | 174 | 168.8 | 168.1 | 2.2 | 112.2 | N34 T78 A122 G137 S138 D141 | N34-R120 PolarHBondContact ND2-NH1 2.81Å; N34-R120 VanDerWaalsContact ND2-NH1 3.15Å; N34-R120 PolarHBondContact ND2-NH2 2.91Å; N34-R120 PolarHBondContact OD1-NH2 3.27Å; T78-R120 VanDerWaalsContact CB-NE 3.34Å; T78-R120 HydrophobicContact CG2-CG 4.5Å; T78-R120 PolarHBondContact O-NH2 2.84Å; R120-A122 PolarHBondContact O-N 2.9Å; R120-G137 CarbonylContact O-C 3.47Å; R120-G137 VanDerWaalsContact O-CA 3.29Å; R120-G137 WeakPolarHBondContact O-CA 3.43Å; R120-S138 PolarHBondContact O-N 2.83Å; R120-D141 PolarHBondContact N-OD2 3.34Å |
| 121 | V | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -74.9 | 106.1 | 160.6 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | T78 E93 P98 V100 A123 V124 V136 | T78-V121 PolarHBondContact OG1-O 2.93Å; E93-V121 PolarHBondContact O-N 3.37Å; P98-V121 HydrophobicContact CB-CG2 4.3Å; P98-V121 HydrophobicContact CG-CG2 4.32Å; V100-V121 HydrophobicContact CG2-CG1 4.03Å; V100-V121 HydrophobicContact CG2-CG2 3.89Å; V121-A123 WeakPolarHBondContact CG1-O 3.43Å; V121-V124 HydrophobicContact CG1-CG1 3.51Å; V121-V136 CarbonylContact C-O 3.57Å; V121-V136 WeakPolarHBondContact CA-O 3.4Å | ||
| 122 | A | 93.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 37.2 Ų | 37.2 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | trans | -80.4 | -32.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | R120 V136 G137 | R120-A122 PolarHBondContact O-N 2.9Å; A122-V136 HydrophobicContact CB-CG1 4.31Å; A122-V136 PolarHBondContact N-O 3.22Å; A122-G137 WeakPolarHBondContact CB-O 3.4Å | ||
| 123 | A | 95.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 151.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C37 V121 S135 V136 V167 | C37-A123 HydrophobicContact CB-CB 4.03Å; V121-A123 WeakPolarHBondContact CG1-O 3.43Å; A123-S135 WeakPolarHBondContact O-CA 3.45Å; A123-V136 HydrophobicContact CB-CB 4.11Å; A123-V136 HydrophobicContact CB-CG2 4.32Å; A123-V136 PolarHBondContact O-N 2.91Å; A123-V167 HydrophobicContact CB-CG1 3.57Å |
| 124 | V | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.3 | 167 | -59.8 | 0 | 0 | 0 | 0 | 108.5 | A79 D81 A90 V100 V121 V134 | A79-V124 HydrophobicContact CB-CB 4.49Å; A79-V124 HydrophobicContact CB-CG1 4.23Å; A79-V124 HydrophobicContact CB-CG2 4.02Å; D81-V124 HydrophobicContact CB-CG2 4.08Å; A90-V124 HydrophobicContact CB-CB 4.5Å; A90-V124 HydrophobicContact CB-CG2 4.07Å; V100-V124 HydrophobicContact CG1-CG1 3.94Å; V100-V124 HydrophobicContact CG2-CG1 4.15Å; V121-V124 HydrophobicContact CG1-CG1 3.51Å; V124-V134 CarbonylContact C-O 3.59Å; V124-V134 VanDerWaalsContact CA-O 3.26Å; V124-V134 WeakPolarHBondContact CA-O 3.37Å |
| 125 | R | 97.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 11% | 0.109 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 140 | 169.9 | -70 | -61 | 178.4 | -140.8 | -9.6 | 112.1 | N36 V80 D81 V134 V167 F169 | N36-R125 PolarHBondContact O-NH2 3.14Å; V80-R125 PolarHBondContact O-NH1 2.87Å; D81-R125 VanDerWaalsContact CG-CD 3.47Å; D81-R125 VanDerWaalsContact OD1-CD 3.32Å; D81-R125 WeakPolarHBondContact OD1-CD 3.39Å; D81-R125 IonicContact OD1-CZ 3.61Å; D81-R125 IonicContact OD1-NE 3.75Å; D81-R125 IonicContact OD1-NH1 2.69Å; D81-R125 PolarHBondContact OD1-NH1 3.29Å; D81-R125 WeakPolarHBondContact OD2-CA 3.41Å; D81-R125 WeakPolarHBondContact OD2-CD 3.38Å; R125-V134 PolarHBondContact N-O 2.76Å; R125-V134 PolarHBondContact O-N 2.91Å; R125-V167 HydrophobicContact CG-CG1 3.99Å; R125-V167 WeakPolarHBondContact CG-O 3.28Å; R125-F169 HydrophobicContact CB-CD2 4.03Å; R125-F169 HydrophobicContact CB-CE2 3.99Å |
| 126 | F | 96.8 | Very high | 94 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 5% | 0.053 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 145.9 | 167.5 | -74.6 | -86.3 | 0 | 0 | 0 | 111.5 | D81 F82 A90 L102 L133 R149 F169 | D81-F126 HydrophobicContact CB-CD2 4.19Å; D81-F126 WeakPolarHBondContact O-CE2 3.28Å; D81-F126 PolarHBondContact OD2-N 2.95Å; F82-F126 VanDerWaalsContact O-CD2 3.22Å; F82-F126 WeakPolarHBondContact O-CD2 3.46Å; A90-F126 HydrophobicContact CB-CD2 4.32Å; A90-F126 HydrophobicContact CB-CE2 3.53Å; A90-F126 HydrophobicContact CB-CZ 3.79Å; L102-F126 HydrophobicContact CD1-CE1 3.97Å; L102-F126 HydrophobicContact CD1-CZ 3.63Å; F126-L133 HydrophobicContact CD1-CD1 3.93Å; F126-L133 HydrophobicContact CD2-CD1 4.03Å; F126-L133 HydrophobicContact CE1-CD1 4.04Å; F126-L133 HydrophobicContact CE2-CD1 4.16Å; F126-L133 HydrophobicContact CG-CD1 3.94Å; F126-L133 HydrophobicContact CZ-CD1 4.16Å; F126-R149 HydrophobicContact CE1-CG 4.47Å; F126-F169 VanDerWaalsContact C-CE2 3.46Å; F126-F169 WeakPolarHBondContact O-CD2 3.42Å; F126-F169 WeakPolarHBondContact O-CE2 3.35Å |
| 127 | S | 94.9 | Very high | 94 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | -70.8 | 147.1 | 163.4 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | N129 D130 Q131 Y132 | S127-N129 PolarHBondContact O-N 2.81Å; S127-N129 PolarHBondContact OG-OD1 3.07Å; S127-D130 WeakPolarHBondContact O-CA 3.36Å; S127-D130 PolarHBondContact O-N 2.87Å; S127-Q131 PolarHBondContact OG-N 2.75Å; S127-Y132 PolarHBondContact N-O 2.85Å; S127-Y132 PolarHBondContact OG-N 3.33Å; S127-Y132 PolarHBondContact OG-O 2.95Å | ||
| 128 | P | 92.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 33% | 0.325 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.7 | -176.3 | -24.6 | 33.1 | 0 | 0 | 0 | 116.9 | F169 S170 | P128-F169 HydrophobicContact CG-CB 4.15Å; P128-S170 VanDerWaalsContact CG-O 3.31Å; P128-S170 WeakPolarHBondContact CG-O 3.45Å |
| 129 | N | 89.8 | Confident | 93.2 | Very high | 81 Ų | 81 | 27.1 Ų | 27.1 | 43% | 0.433 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 6.3 | 173.8 | 67.1 | 4.6 | 0 | 0 | 0 | 113.1 | S127 Q131 | S127-N129 PolarHBondContact O-N 2.81Å; S127-N129 PolarHBondContact OG-OD1 3.07Å; N129-Q131 HydrophobicContact CB-CG 4.33Å; N129-Q131 PolarHBondContact O-N 3.24Å; N129-Q131 PolarHBondContact O-NE2 2.57Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.26Å; N129-Q131 PolarHBondContact OD1-N 2.79Å; N129-Q131 VanDerWaalsContact OD1-N 3.09Å |
| 130 | D | 92.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 51.1 | 17.6 | -176 | -56.9 | -45.6 | 0 | 0 | 0 | 116.2 | S83 S84 D85 S127 R149 | S83-D130 WeakPolarHBondContact CA-OD1 3.39Å; S83-D130 WeakPolarHBondContact CB-OD1 3.43Å; S84-D130 WeakPolarHBondContact CB-OD2 3.2Å; S84-D130 PolarHBondContact N-OD1 3.2Å; S84-D130 PolarHBondContact N-OD2 2.75Å; S84-D130 PolarHBondContact OG-OD2 2.94Å; D85-D130 PolarHBondContact N-OD2 2.84Å; S127-D130 WeakPolarHBondContact O-CA 3.36Å; S127-D130 PolarHBondContact O-N 2.87Å; D130-R149 WeakPolarHBondContact O-CD 2.97Å; D130-R149 PolarHBondContact O-NE 2.82Å; D130-R149 VanDerWaalsContact O-NE 3.08Å; D130-R149 PolarHBondContact O-NH1 2.91Å |
| 131 | Q | 92.3 | Very high | 92.5 | Very high | 80 Ų | 80 | 24.8 Ų | 24.8 | 37% | 0.374 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -79 | -38.3 | 176.9 | -57.7 | -52.3 | -65.1 | 0 | 0 | 111.9 | S127 N129 R149 H150 | S127-Q131 PolarHBondContact OG-N 2.75Å; N129-Q131 HydrophobicContact CB-CG 4.33Å; N129-Q131 PolarHBondContact O-N 3.24Å; N129-Q131 PolarHBondContact O-NE2 2.57Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.26Å; N129-Q131 PolarHBondContact OD1-N 2.79Å; N129-Q131 VanDerWaalsContact OD1-N 3.09Å; Q131-R149 WeakPolarHBondContact O-CB 3.48Å; Q131-R149 PolarHBondContact O-N 3.21Å; Q131-H150 PolarHBondContact OE1-CE1 3.19Å |
| 132 | Y | 93.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 29.1 Ų | 29.1 | 19% | 0.192 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 153 | -173.2 | -53.6 | -68.1 | 0 | 0 | 0 | 112.7 | S127 V146 W147 D148 V155 L189 | S127-Y132 PolarHBondContact N-O 2.85Å; S127-Y132 PolarHBondContact OG-N 3.33Å; S127-Y132 PolarHBondContact OG-O 2.95Å; Y132-V146 HydrophobicContact CD1-CG1 4.34Å; Y132-V146 HydrophobicContact CG-CG1 4.35Å; Y132-W147 CarbonylContact C-O 3.56Å; Y132-W147 WeakPolarHBondContact CA-O 3.33Å; Y132-D148 HydrophobicContact CD1-CB 4.48Å; Y132-V155 HydrophobicContact CE1-CG1 4.43Å; Y132-V155 HydrophobicContact CE1-CG2 4.25Å; Y132-L189 HydrophobicContact CD1-CD2 4.32Å; Y132-L189 HydrophobicContact CD2-CD2 3.68Å; Y132-L189 HydrophobicContact CE1-CD2 4.15Å; Y132-L189 HydrophobicContact CE2-CD2 3.46Å; Y132-L189 VanDerWaalsContact CE2-CD2 3.46Å; Y132-L189 HydrophobicContact CG-CD2 4.09Å |
| 133 | L | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.4 | 171.4 | -173.9 | 70.8 | 0 | 0 | 0 | 108.3 | A90 V100 F114 F126 W147 | A90-L133 HydrophobicContact CB-CD1 3.52Å; A90-L133 HydrophobicContact CB-CD2 3.93Å; A90-L133 HydrophobicContact CB-CG 4.39Å; V100-L133 HydrophobicContact CG1-CD2 3.63Å; F114-L133 HydrophobicContact CD2-CD2 4.21Å; F114-L133 HydrophobicContact CE2-CD2 3.7Å; F114-L133 HydrophobicContact CZ-CD2 4.17Å; F126-L133 HydrophobicContact CD1-CD1 3.93Å; F126-L133 HydrophobicContact CD2-CD1 4.03Å; F126-L133 HydrophobicContact CE1-CD1 4.04Å; F126-L133 HydrophobicContact CE2-CD1 4.16Å; F126-L133 HydrophobicContact CG-CD1 3.94Å; F126-L133 HydrophobicContact CZ-CD1 4.16Å; L133-W147 HydrophobicContact CB-CB 4.39Å; L133-W147 PolarHBondContact N-O 2.7Å; L133-W147 VanDerWaalsContact O-CD1 3.27Å; L133-W147 PolarHBondContact O-N 2.89Å |
| 134 | V | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136 | 169.7 | 163.3 | 0 | 0 | 0 | 0 | 108.8 | V124 R125 V136 L144 Y145 V146 V167 F169 F176 | V124-V134 CarbonylContact C-O 3.59Å; V124-V134 VanDerWaalsContact CA-O 3.26Å; V124-V134 WeakPolarHBondContact CA-O 3.37Å; R125-V134 PolarHBondContact N-O 2.76Å; R125-V134 PolarHBondContact O-N 2.91Å; V134-V136 HydrophobicContact CG1-CG2 4.38Å; V134-L144 HydrophobicContact CG1-CD1 4.46Å; V134-L144 HydrophobicContact CG1-CD2 4.17Å; V134-L144 HydrophobicContact CG1-CG 4.33Å; V134-Y145 WeakPolarHBondContact CA-O 3.35Å; V134-V146 HydrophobicContact CG2-CG1 4.5Å; V134-V146 HydrophobicContact CG2-CG2 4.17Å; V134-V167 HydrophobicContact CG1-CG2 4.17Å; V134-F169 HydrophobicContact CB-CE2 4.05Å; V134-F169 HydrophobicContact CB-CZ 4.16Å; V134-F169 HydrophobicContact CG2-CE1 4.45Å; V134-F169 HydrophobicContact CG2-CE2 3.86Å; V134-F169 HydrophobicContact CG2-CZ 3.48Å; V134-F169 VanDerWaalsContact CG2-CZ 3.48Å; V134-F176 HydrophobicContact CG1-CD2 4.49Å; V134-F176 HydrophobicContact CG1-CE2 4.07Å; V134-F176 HydrophobicContact CG1-CZ 4.34Å; V134-F176 HydrophobicContact CG2-CD1 3.93Å; V134-F176 HydrophobicContact CG2-CD2 4.3Å; V134-F176 HydrophobicContact CG2-CE1 3.57Å; V134-F176 HydrophobicContact CG2-CE2 3.98Å; V134-F176 HydrophobicContact CG2-CG 4.27Å; V134-F176 HydrophobicContact CG2-CZ 3.57Å |
| 135 | S | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.4 | 169 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | H117 A123 L144 Y145 W147 | H117-S135 PolarHBondContact NE2-O 3.11Å; A123-S135 WeakPolarHBondContact O-CA 3.45Å; S135-L144 WeakPolarHBondContact O-CA 3.42Å; S135-Y145 PolarHBondContact N-O 2.9Å; S135-Y145 PolarHBondContact O-N 2.58Å; S135-W147 PolarHBondContact OG-NE1 3.14Å |
| 136 | V | 95.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.6 | -174.5 | 173.2 | 0 | 0 | 0 | 0 | 109 | V121 A122 A123 V134 L144 I164 V167 | V121-V136 CarbonylContact C-O 3.57Å; V121-V136 WeakPolarHBondContact CA-O 3.4Å; A122-V136 HydrophobicContact CB-CG1 4.31Å; A122-V136 PolarHBondContact N-O 3.22Å; A123-V136 HydrophobicContact CB-CB 4.11Å; A123-V136 HydrophobicContact CB-CG2 4.32Å; A123-V136 PolarHBondContact O-N 2.91Å; V134-V136 HydrophobicContact CG1-CG2 4.38Å; V136-L144 HydrophobicContact CG2-CD1 3.91Å; V136-L144 HydrophobicContact CG2-CG 4.15Å; V136-I164 HydrophobicContact CB-CD1 4.39Å; V136-I164 HydrophobicContact CG1-CB 3.75Å; V136-I164 HydrophobicContact CG1-CD1 3.4Å; V136-I164 VanDerWaalsContact CG1-CD1 3.4Å; V136-I164 HydrophobicContact CG1-CG1 4.13Å; V136-I164 HydrophobicContact CG1-CG2 3.93Å; V136-I164 HydrophobicContact CG2-CD1 4.1Å; V136-V167 HydrophobicContact CG2-CG1 4.23Å |
| 137 | G | 91.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 28 Ų | 28 | 6% | 0.062 | 14% | 0.14 | C | C | . | . | trans | -78.8 | -178.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | H117 R120 A122 T143 | H117-G137 VanDerWaalsContact CE1-CA 3.41Å; H117-G137 WeakPolarHBondContact CE1-CA 3.39Å; H117-G137 WeakPolarHBondContact ND1-CA 3.46Å; H117-G137 PolarHBondContact NE2-N 2.9Å; R120-G137 CarbonylContact O-C 3.47Å; R120-G137 VanDerWaalsContact O-CA 3.29Å; R120-G137 WeakPolarHBondContact O-CA 3.43Å; A122-G137 WeakPolarHBondContact CB-O 3.4Å; G137-T143 PolarHBondContact N-O 2.83Å | ||
| 138 | S | 85.8 | Confident | 91.5 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 11% | 0.112 | 15% | 0.148 | C | C | . | . | trans | -67.4 | 174.4 | 169.5 | 95.5 | 0 | 0 | 0 | 0 | 111.3 | R120 E140 D141 H142 | R120-S138 PolarHBondContact O-N 2.83Å; S138-E140 WeakPolarHBondContact CB-OE2 3.15Å; S138-E140 PolarHBondContact O-N 3.46Å; S138-E140 WeakPolarHBondContact OG-CA 3.46Å; S138-E140 WeakPolarHBondContact OG-CB 3.22Å; S138-E140 PolarHBondContact OG-N 3.47Å; S138-E140 PolarHBondContact OG-OE2 3.16Å; S138-D141 WeakPolarHBondContact CB-OD2 3.23Å; S138-D141 PolarHBondContact N-OD2 3.02Å; S138-D141 PolarHBondContact O-N 3.33Å; S138-D141 PolarHBondContact OG-N 3.14Å; S138-D141 VanDerWaalsContact OG-N 3.14Å; S138-D141 PolarHBondContact OG-OD2 2.92Å; S138-H142 PolarHBondContact O-N 3.31Å | ||
| 139 | Q | 82.9 | Confident | 91.5 | Very high | 56 Ų | 56 | 28.4 Ų | 28.4 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24 | 169.9 | 70.5 | -175 | 16.1 | 0 | 0 | 112.9 | H142 R163 P1695 | Q139-H142 PolarHBondContact O-CD2 3.43Å; Q139-H142 PolarHBondContact O-CE1 3.44Å; Q139-H142 PolarHBondContact O-ND1 3.41Å; Q139-H142 PolarHBondContact O-NE2 2.67Å; Q139-R163 HydrophobicContact CB-CB 4.05Å; Q139-R163 HydrophobicContact CB-CG 4.37Å; Q139-P1695 VanDerWaalsContact NE2-CG 3.31Å |
| 140 | E | 82.6 | Confident | 91.5 | Very high | 89 Ų | 89 | 29.7 Ų | 29.7 | 42% | 0.416 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -29 | 174 | -54.9 | 89.9 | -150.9 | 0 | 0 | 112 | F119 S138 H142 | F119-E140 HydrophobicContact CD2-CB 3.64Å; F119-E140 HydrophobicContact CE2-CB 3.84Å; F119-E140 HydrophobicContact CG-CB 4.36Å; S138-E140 WeakPolarHBondContact CB-OE2 3.15Å; S138-E140 PolarHBondContact O-N 3.46Å; S138-E140 WeakPolarHBondContact OG-CA 3.46Å; S138-E140 WeakPolarHBondContact OG-CB 3.22Å; S138-E140 PolarHBondContact OG-N 3.47Å; S138-E140 PolarHBondContact OG-OE2 3.16Å; E140-H142 VanDerWaalsContact C-N 3.28Å; E140-H142 PolarHBondContact O-CD2 3.02Å; E140-H142 PolarHBondContact O-N 2.91Å |
| 141 | D | 84 | Confident | 91.2 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.5 | 176.3 | -73.9 | -53.4 | 0 | 0 | 0 | 112.9 | H118 F119 R120 S138 T143 | H118-D141 VanDerWaalsContact CA-OD1 3.28Å; H118-D141 WeakPolarHBondContact CA-OD1 3.4Å; H118-D141 VanDerWaalsContact CB-OD1 3.31Å; H118-D141 WeakPolarHBondContact CB-OD1 3.1Å; H118-D141 IonicContact CG-OD1 3.93Å; H118-D141 PolarHBondContact N-OD1 2.85Å; H118-D141 IonicContact ND1-OD1 3.17Å; F119-D141 WeakPolarHBondContact CD2-OD1 3.49Å; F119-D141 PolarHBondContact N-OD1 2.94Å; F119-D141 PolarHBondContact N-OD2 3.44Å; R120-D141 PolarHBondContact N-OD2 3.34Å; S138-D141 WeakPolarHBondContact CB-OD2 3.23Å; S138-D141 PolarHBondContact N-OD2 3.02Å; S138-D141 PolarHBondContact O-N 3.33Å; S138-D141 PolarHBondContact OG-N 3.14Å; S138-D141 VanDerWaalsContact OG-N 3.14Å; S138-D141 PolarHBondContact OG-OD2 2.92Å; D141-T143 WeakPolarHBondContact O-CB 3.24Å; D141-T143 VanDerWaalsContact O-CG2 3.31Å; D141-T143 WeakPolarHBondContact O-CG2 3.11Å; D141-T143 PolarHBondContact O-N 2.81Å; D141-T143 PolarHBondContact O-OG1 3.03Å |
| 142 | H | 83.4 | Confident | 91 | Very high | 90 Ų | 90 | 29.4 Ų | 29.4 | 42% | 0.417 | 15% | 0.153 | S | C | . | . | trans | 48.5 | 22.8 | -179.8 | -71.7 | -72.4 | 0 | 0 | 0 | 115.7 | S138 Q139 E140 K159 V160 | S138-H142 PolarHBondContact O-N 3.31Å; Q139-H142 PolarHBondContact O-CD2 3.43Å; Q139-H142 PolarHBondContact O-CE1 3.44Å; Q139-H142 PolarHBondContact O-ND1 3.41Å; Q139-H142 PolarHBondContact O-NE2 2.67Å; E140-H142 VanDerWaalsContact C-N 3.28Å; E140-H142 PolarHBondContact O-CD2 3.02Å; E140-H142 PolarHBondContact O-N 2.91Å; H142-K159 CarbonylContact O-C 3.59Å; H142-K159 VanDerWaalsContact O-CA 3.25Å; H142-K159 WeakPolarHBondContact O-CA 3.4Å; H142-V160 PolarHBondContact ND1-O 2.8Å; H142-V160 VanDerWaalsContact ND1-O 3.09Å; H142-V160 PolarHBondContact O-N 3.33Å | ||
| 143 | T | 91.5 | Very high | 90.7 | Very high | 18 Ų | 18 | 32 Ų | 32 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.6 | -166.7 | 40.5 | 0 | 0 | 0 | 0 | 113.8 | H117 G137 D141 Y145 | H117-T143 PolarHBondContact CE1-OG1 2.99Å; H117-T143 PolarHBondContact ND1-OG1 2.66Å; H117-T143 PolarHBondContact NE2-O 2.93Å; G137-T143 PolarHBondContact N-O 2.83Å; D141-T143 WeakPolarHBondContact O-CB 3.24Å; D141-T143 VanDerWaalsContact O-CG2 3.31Å; D141-T143 WeakPolarHBondContact O-CG2 3.11Å; D141-T143 PolarHBondContact O-N 2.81Å; D141-T143 PolarHBondContact O-OG1 3.03Å; T143-Y145 HydrophobicContact CG2-CE1 4.16Å |
| 144 | L | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.3 | 168.4 | -172.8 | 154.8 | 0 | 0 | 0 | 108.4 | V134 S135 V136 V146 S157 A158 V160 I164 F176 T178 L202 | V134-L144 HydrophobicContact CG1-CD1 4.46Å; V134-L144 HydrophobicContact CG1-CD2 4.17Å; V134-L144 HydrophobicContact CG1-CG 4.33Å; S135-L144 WeakPolarHBondContact O-CA 3.42Å; V136-L144 HydrophobicContact CG2-CD1 3.91Å; V136-L144 HydrophobicContact CG2-CG 4.15Å; L144-V146 HydrophobicContact CD2-CG2 4.42Å; L144-S157 WeakPolarHBondContact O-CA 3.3Å; L144-A158 PolarHBondContact N-O 2.78Å; L144-A158 PolarHBondContact O-N 2.84Å; L144-V160 HydrophobicContact CB-CG2 4.1Å; L144-I164 HydrophobicContact CD1-CD1 4.14Å; L144-F176 HydrophobicContact CD1-CE2 3.92Å; L144-F176 HydrophobicContact CD2-CE2 3.88Å; L144-F176 HydrophobicContact CD2-CZ 3.69Å; L144-T178 HydrophobicContact CD1-CG2 3.55Å; L144-L202 HydrophobicContact CD2-CD2 3.74Å |
| 145 | Y | 95.5 | Very high | 90.3 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.7 | 179.6 | -58.3 | -46.1 | 0 | 0 | 0 | 111.7 | G116 H117 V134 S135 T143 W147 R154 S157 | G116-Y145 PolarHBondContact O-OH 2.81Å; H117-Y145 AromaticContact CE1-CE2 3.65Å; H117-Y145 AromaticContact ND1-CD2 3.81Å; H117-Y145 AromaticContact ND1-CE2 3.55Å; H117-Y145 AromaticContact NE2-CD2 3.38Å; H117-Y145 WeakPolarHBondContact NE2-CD2 3.25Å; H117-Y145 AromaticContact NE2-CE2 3.71Å; H117-Y145 AromaticContact NE2-CG 3.95Å; V134-Y145 WeakPolarHBondContact CA-O 3.35Å; S135-Y145 PolarHBondContact N-O 2.9Å; S135-Y145 PolarHBondContact O-N 2.58Å; T143-Y145 HydrophobicContact CG2-CE1 4.16Å; Y145-W147 HydrophobicContact CD2-CH2 4.21Å; Y145-W147 AromaticContact CD2-CZ2 3.61Å; Y145-W147 HydrophobicContact CD2-CZ2 3.61Å; Y145-W147 HydrophobicContact CG-CH2 4.5Å; Y145-W147 AromaticContact CG-CZ2 3.96Å; Y145-W147 HydrophobicContact CG-CZ2 3.96Å; Y145-R154 HydrophobicContact CD1-CG 4.27Å; Y145-R154 HydrophobicContact CG-CG 4.43Å; Y145-S157 WeakPolarHBondContact CD1-OG 3.26Å; Y145-S157 VanDerWaalsContact CE1-OG 3.3Å; Y145-S157 WeakPolarHBondContact CE1-OG 3.39Å |
| 146 | V | 95.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.9 | 168.1 | -169.2 | 0 | 0 | 0 | 0 | 107.6 | Y132 V134 L144 R154 V155 A156 F176 L189 L202 | Y132-V146 HydrophobicContact CD1-CG1 4.34Å; Y132-V146 HydrophobicContact CG-CG1 4.35Å; V134-V146 HydrophobicContact CG2-CG1 4.5Å; V134-V146 HydrophobicContact CG2-CG2 4.17Å; L144-V146 HydrophobicContact CD2-CG2 4.42Å; V146-R154 CarbonylContact O-C 3.53Å; V146-V155 PolarHBondContact O-N 2.69Å; V146-A156 HydrophobicContact CB-CB 4.02Å; V146-A156 HydrophobicContact CG2-CB 4Å; V146-A156 PolarHBondContact N-O 3.27Å; V146-A156 PolarHBondContact O-N 3.15Å; V146-F176 HydrophobicContact CG2-CE1 4.1Å; V146-F176 HydrophobicContact CG2-CZ 4.1Å; V146-L189 HydrophobicContact CG1-CD2 4.37Å; V146-L202 HydrophobicContact CG2-CD1 4.16Å; V146-L202 HydrophobicContact CG2-CD2 4.23Å |
| 147 | W | 95 | Very high | 90 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 144 | 177.1 | -46.2 | 95.6 | 0 | 0 | 0 | 110 | F114 G115 Y132 L133 S135 Y145 Q153 R154 | F114-W147 HydrophobicContact CB-CD2 3.65Å; F114-W147 HydrophobicContact CB-CE3 3.78Å; F114-W147 HydrophobicContact CB-CG 4.23Å; F114-W147 HydrophobicContact CB-CH2 4.04Å; F114-W147 HydrophobicContact CB-CZ2 3.9Å; F114-W147 HydrophobicContact CB-CZ3 3.95Å; F114-W147 HydrophobicContact CD1-CB 3.69Å; F114-W147 AromaticContact CD1-CD2 3.68Å; F114-W147 HydrophobicContact CD1-CD2 3.68Å; F114-W147 AromaticContact CD1-CE3 3.71Å; F114-W147 HydrophobicContact CD1-CE3 3.71Å; F114-W147 AromaticContact CD1-CG 3.66Å; F114-W147 HydrophobicContact CD1-CG 3.66Å; F114-W147 HydrophobicContact CE1-CB 3.7Å; F114-W147 HydrophobicContact CE1-CG 4.15Å; F114-W147 HydrophobicContact CG-CB 4.48Å; F114-W147 AromaticContact CG-CD2 3.93Å; F114-W147 HydrophobicContact CG-CD2 3.93Å; F114-W147 HydrophobicContact CG-CE3 4.17Å; F114-W147 HydrophobicContact CG-CG 4.04Å; G115-W147 WeakPolarHBondContact O-CH2 3.33Å; Y132-W147 CarbonylContact C-O 3.56Å; Y132-W147 WeakPolarHBondContact CA-O 3.33Å; L133-W147 HydrophobicContact CB-CB 4.39Å; L133-W147 PolarHBondContact N-O 2.7Å; L133-W147 VanDerWaalsContact O-CD1 3.27Å; L133-W147 PolarHBondContact O-N 2.89Å; S135-W147 PolarHBondContact OG-NE1 3.14Å; Y145-W147 HydrophobicContact CD2-CH2 4.21Å; Y145-W147 AromaticContact CD2-CZ2 3.61Å; Y145-W147 HydrophobicContact CD2-CZ2 3.61Å; Y145-W147 HydrophobicContact CG-CH2 4.5Å; Y145-W147 AromaticContact CG-CZ2 3.96Å; Y145-W147 HydrophobicContact CG-CZ2 3.96Å; W147-Q153 CarbonylContact C-O 3.6Å; W147-Q153 WeakPolarHBondContact CA-O 3.47Å; W147-R154 HydrophobicContact CE3-CB 3.74Å; W147-R154 HydrophobicContact CE3-CG 4.29Å; W147-R154 HydrophobicContact CH2-CB 4.3Å; W147-R154 HydrophobicContact CH2-CG 4.44Å; W147-R154 HydrophobicContact CZ3-CB 3.57Å; W147-R154 HydrophobicContact CZ3-CG 4.14Å |
| 148 | D | 92.7 | Very high | 90.1 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125.6 | 156.7 | 160.7 | 34.1 | 0 | 0 | 0 | 108.5 | Y132 H150 S151 G152 Q153 V155 | Y132-D148 HydrophobicContact CD1-CB 4.48Å; D148-H150 PolarHBondContact O-N 2.97Å; D148-H150 IonicContact OD1-CG 3.68Å; D148-H150 PolarHBondContact OD1-N 2.88Å; D148-H150 IonicContact OD1-ND1 3.62Å; D148-H150 PolarHBondContact OD1-ND1 2.86Å; D148-S151 WeakPolarHBondContact OD2-CB 3.39Å; D148-S151 PolarHBondContact OD2-N 3.11Å; D148-S151 PolarHBondContact OD2-OG 3.01Å; D148-G152 WeakPolarHBondContact O-CA 3.06Å; D148-G152 PolarHBondContact O-N 2.9Å; D148-G152 VanDerWaalsContact O-N 3.12Å; D148-Q153 PolarHBondContact N-O 2.81Å; D148-V155 HydrophobicContact CB-CG2 3.64Å |
| 149 | R | 92.7 | Very high | 90.2 | Very high | 30 Ų | 30 | 48 Ų | 48 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.8 | -179.6 | -171.2 | -169.2 | 68.9 | 179.6 | -7.8 | 112.4 | Y88 L102 F126 D130 Q131 | Y88-R149 VanDerWaalsContact CE2-NH1 3.25Å; L102-R149 HydrophobicContact CD1-CG 4.33Å; L102-R149 HydrophobicContact CD2-CG 3.64Å; F126-R149 HydrophobicContact CE1-CG 4.47Å; D130-R149 WeakPolarHBondContact O-CD 2.97Å; D130-R149 PolarHBondContact O-NE 2.82Å; D130-R149 VanDerWaalsContact O-NE 3.08Å; D130-R149 PolarHBondContact O-NH1 2.91Å; Q131-R149 WeakPolarHBondContact O-CB 3.48Å; Q131-R149 PolarHBondContact O-N 3.21Å |
| 150 | H | 89.4 | Confident | 90.3 | Very high | 109 Ų | 109 | 45.6 Ų | 45.6 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -44.8 | -171.4 | -57.1 | 92.5 | 0 | 0 | 0 | 113.1 | Q131 D148 | Q131-H150 PolarHBondContact OE1-CE1 3.19Å; D148-H150 PolarHBondContact O-N 2.97Å; D148-H150 IonicContact OD1-CG 3.68Å; D148-H150 PolarHBondContact OD1-N 2.88Å; D148-H150 IonicContact OD1-ND1 3.62Å; D148-H150 PolarHBondContact OD1-ND1 2.86Å |
| 151 | S | 87.5 | Confident | 90.1 | Very high | 57 Ų | 57 | 47 Ų | 47 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.3 | 178.2 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | D148 Q153 | D148-S151 WeakPolarHBondContact OD2-CB 3.39Å; D148-S151 PolarHBondContact OD2-N 3.11Å; D148-S151 PolarHBondContact OD2-OG 3.01Å; S151-Q153 PolarHBondContact O-N 2.82Å; S151-Q153 WeakPolarHBondContact OG-CB 3.3Å; S151-Q153 PolarHBondContact OG-N 3.04Å |
| 152 | G | 86.9 | Confident | 90.1 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | trans | 74.5 | -0.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D148 | D148-G152 WeakPolarHBondContact O-CA 3.06Å; D148-G152 PolarHBondContact O-N 2.9Å; D148-G152 VanDerWaalsContact O-N 3.12Å | ||
| 153 | Q | 88.4 | Confident | 90.2 | Very high | 104 Ų | 104 | 48.1 Ų | 48.1 | 49% | 0.486 | 25% | 0.249 | S | C | . | . | trans | -88.6 | 147.9 | -168.2 | -62.8 | 179.9 | 32 | 0 | 0 | 112.9 | W147 D148 S151 V155 | W147-Q153 CarbonylContact C-O 3.6Å; W147-Q153 WeakPolarHBondContact CA-O 3.47Å; D148-Q153 PolarHBondContact N-O 2.81Å; S151-Q153 PolarHBondContact O-N 2.82Å; S151-Q153 WeakPolarHBondContact OG-CB 3.3Å; S151-Q153 PolarHBondContact OG-N 3.04Å; Q153-V155 PolarHBondContact O-N 2.93Å; Q153-V155 VanDerWaalsContact O-N 3.15Å | ||
| 154 | R | 91.3 | Very high | 90.2 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 95 | 174.2 | -170.4 | 179 | 56 | -160.5 | -3.1 | 110.6 | Y145 V146 W147 T199 | Y145-R154 HydrophobicContact CD1-CG 4.27Å; Y145-R154 HydrophobicContact CG-CG 4.43Å; V146-R154 CarbonylContact O-C 3.53Å; W147-R154 HydrophobicContact CE3-CB 3.74Å; W147-R154 HydrophobicContact CE3-CG 4.29Å; W147-R154 HydrophobicContact CH2-CB 4.3Å; W147-R154 HydrophobicContact CH2-CG 4.44Å; W147-R154 HydrophobicContact CZ3-CB 3.57Å; W147-R154 HydrophobicContact CZ3-CG 4.14Å; R154-T199 HydrophobicContact CG-CG2 3.79Å; R154-T199 PolarHBondContact NE-OG1 3.35Å; R154-T199 WeakPolarHBondContact O-CB 3.35Å; R154-T199 PolarHBondContact O-OG1 2.97Å |
| 155 | V | 91.9 | Very high | 90 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -42.8 | 179.2 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | Y132 V146 D148 Q153 L200 | Y132-V155 HydrophobicContact CE1-CG1 4.43Å; Y132-V155 HydrophobicContact CE1-CG2 4.25Å; V146-V155 PolarHBondContact O-N 2.69Å; D148-V155 HydrophobicContact CB-CG2 3.64Å; Q153-V155 PolarHBondContact O-N 2.93Å; Q153-V155 VanDerWaalsContact O-N 3.15Å; V155-L200 PolarHBondContact O-N 3.15Å |
| 156 | A | 92.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 160.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V146 L189 T199 L200 L202 | V146-A156 HydrophobicContact CB-CB 4.02Å; V146-A156 HydrophobicContact CG2-CB 4Å; V146-A156 PolarHBondContact N-O 3.27Å; V146-A156 PolarHBondContact O-N 3.15Å; A156-L189 HydrophobicContact CB-CD1 4.11Å; A156-T199 VanDerWaalsContact C-CG2 3.48Å; A156-L200 CarbonylContact C-O 3.54Å; A156-L200 WeakPolarHBondContact CA-O 3.37Å; A156-L200 HydrophobicContact CB-CB 4.38Å; A156-L200 WeakPolarHBondContact CB-O 3.29Å; A156-L202 HydrophobicContact CB-CB 4.21Å; A156-L202 HydrophobicContact CB-CD1 4.21Å |
| 157 | S | 93.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 147.2 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | L144 Y145 L200 L202 | L144-S157 WeakPolarHBondContact O-CA 3.3Å; Y145-S157 WeakPolarHBondContact CD1-OG 3.26Å; Y145-S157 VanDerWaalsContact CE1-OG 3.3Å; Y145-S157 WeakPolarHBondContact CE1-OG 3.39Å; S157-L200 PolarHBondContact N-O 3.15Å; S157-L202 PolarHBondContact O-N 3.1Å |
| 158 | A | 93.4 | Very high | 89.9 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L144 W187 L202 | L144-A158 PolarHBondContact N-O 2.78Å; L144-A158 PolarHBondContact O-N 2.84Å; A158-W187 HydrophobicContact CB-CE3 4.27Å; A158-W187 HydrophobicContact CB-CH2 3.43Å; A158-W187 VanDerWaalsContact CB-CH2 3.43Å; A158-W187 HydrophobicContact CB-CZ2 4.28Å; A158-W187 HydrophobicContact CB-CZ3 3.44Å; A158-W187 VanDerWaalsContact CB-CZ3 3.44Å; A158-L202 HydrophobicContact CB-CB 4.19Å; A158-L202 HydrophobicContact CB-CD2 4.29Å |
| 159 | K | 88.7 | Confident | 90 | Very high | 182 Ų | 182 | 51.5 Ų | 51.5 | 79% | 0.791 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 142.6 | 159.5 | -69.3 | -171.7 | 177.3 | -173.7 | 0 | 109.3 | H142 | H142-K159 CarbonylContact O-C 3.59Å; H142-K159 VanDerWaalsContact O-CA 3.25Å; H142-K159 WeakPolarHBondContact O-CA 3.4Å |
| 160 | V | 84.9 | Confident | 90 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | trans | -130.2 | 123.9 | -177 | -169.1 | 0 | 0 | 0 | 0 | 109.6 | H142 L144 S162 I164 W187 | H142-V160 PolarHBondContact ND1-O 2.8Å; H142-V160 VanDerWaalsContact ND1-O 3.09Å; H142-V160 PolarHBondContact O-N 3.33Å; L144-V160 HydrophobicContact CB-CG2 4.1Å; V160-S162 VanDerWaalsContact C-N 3.32Å; V160-S162 PolarHBondContact O-N 2.84Å; V160-I164 HydrophobicContact CB-CD1 4.42Å; V160-I164 HydrophobicContact CG1-CD1 4.1Å; V160-I164 HydrophobicContact CG1-CG1 4.21Å; V160-I164 HydrophobicContact CG2-CD1 4.19Å; V160-W187 HydrophobicContact CG2-CH2 4.32Å; V160-W187 HydrophobicContact CG2-CZ2 4.07Å | ||
| 161 | T | 78.3 | Confident | 90 | Very high | 119 Ų | 119 | 47.3 Ų | 47.3 | 73% | 0.73 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -80.7 | -6.7 | -168.6 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 162 | S | 83.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -155.1 | 156 | -178.9 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | V160 I164 Y183 | V160-S162 VanDerWaalsContact C-N 3.32Å; V160-S162 PolarHBondContact O-N 2.84Å; S162-I164 PolarHBondContact O-N 2.81Å; S162-Y183 WeakPolarHBondContact OG-CE1 3.44Å |
| 163 | R | 86.8 | Confident | 90 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | trans | -52 | 126.5 | -176.9 | -176.8 | 168.5 | 173.7 | 174.7 | -6.3 | 112.1 | Q139 Y165 G180 | Q139-R163 HydrophobicContact CB-CB 4.05Å; Q139-R163 HydrophobicContact CB-CG 4.37Å; R163-Y165 HydrophobicContact CG-CE1 4.2Å; R163-Y165 VanDerWaalsContact NE-CE1 3.35Å; R163-G180 WeakPolarHBondContact O-CA 3.44Å | ||
| 164 | I | 91.3 | Very high | 89.9 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.2 | 166.6 | -67.3 | 159.7 | 0 | 0 | 0 | 108 | V136 L144 V160 S162 G166 T178 V179 Y183 | V136-I164 HydrophobicContact CB-CD1 4.39Å; V136-I164 HydrophobicContact CG1-CB 3.75Å; V136-I164 HydrophobicContact CG1-CD1 3.4Å; V136-I164 VanDerWaalsContact CG1-CD1 3.4Å; V136-I164 HydrophobicContact CG1-CG1 4.13Å; V136-I164 HydrophobicContact CG1-CG2 3.93Å; V136-I164 HydrophobicContact CG2-CD1 4.1Å; L144-I164 HydrophobicContact CD1-CD1 4.14Å; V160-I164 HydrophobicContact CB-CD1 4.42Å; V160-I164 HydrophobicContact CG1-CD1 4.1Å; V160-I164 HydrophobicContact CG1-CG1 4.21Å; V160-I164 HydrophobicContact CG2-CD1 4.19Å; S162-I164 PolarHBondContact O-N 2.81Å; I164-G166 WeakPolarHBondContact CG2-O 3.33Å; I164-T178 HydrophobicContact CD1-CG2 4.21Å; I164-V179 WeakPolarHBondContact CA-O 3.21Å; I164-Y183 WeakPolarHBondContact CG1-OH 3.2Å |
| 165 | Y | 90.6 | Very high | 89.9 | Confident | 84 Ų | 84 | 45.1 Ų | 45.1 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -35.2 | 171.6 | -69.1 | -71.5 | 0 | 0 | 0 | 112.8 | R163 V179 V181 V216 F217 T218 | R163-Y165 HydrophobicContact CG-CE1 4.2Å; R163-Y165 VanDerWaalsContact NE-CE1 3.35Å; Y165-V179 PolarHBondContact N-O 2.82Å; Y165-V181 HydrophobicContact CE2-CG2 3.87Å; Y165-V216 HydrophobicContact CD2-CG1 4.05Å; Y165-V216 HydrophobicContact CE2-CG1 3.57Å; Y165-F217 WeakPolarHBondContact CD2-O 3.28Å; Y165-T218 VanDerWaalsContact CB-O 3.31Å; Y165-T218 WeakPolarHBondContact CB-O 3.23Å |
| 166 | G | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | I164 T178 V179 | I164-G166 WeakPolarHBondContact CG2-O 3.33Å; G166-T178 WeakPolarHBondContact O-CA 3.24Å; G166-V179 PolarHBondContact O-N 3.15Å |
| 167 | V | 95.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 136 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | A123 R125 V134 V136 F176 V177 T178 | A123-V167 HydrophobicContact CB-CG1 3.57Å; R125-V167 HydrophobicContact CG-CG1 3.99Å; R125-V167 WeakPolarHBondContact CG-O 3.28Å; V134-V167 HydrophobicContact CG1-CG2 4.17Å; V136-V167 HydrophobicContact CG2-CG1 4.23Å; V167-F176 HydrophobicContact CG2-CD2 4.05Å; V167-V177 VanDerWaalsContact CA-O 3.27Å; V167-V177 WeakPolarHBondContact CA-O 3.42Å; V167-T178 HydrophobicContact CB-CG2 4.22Å; V167-T178 HydrophobicContact CG2-CG2 3.92Å |
| 168 | A | 96 | Very high | 90.4 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 146 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F176 V177 V220 | A168-F176 CarbonylContact O-C 3.54Å; A168-F176 VanDerWaalsContact O-CA 3.32Å; A168-F176 WeakPolarHBondContact O-CA 3.38Å; A168-F176 WeakPolarHBondContact O-CB 3.39Å; A168-V177 PolarHBondContact N-O 3.15Å; A168-V177 PolarHBondContact O-N 2.84Å; A168-V220 HydrophobicContact CB-CG1 4.12Å; A168-V220 HydrophobicContact CB-CG2 4.39Å; A168-V220 WeakPolarHBondContact CB-O 3.38Å |
| 169 | F | 95 | Very high | 90.5 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 13% | 0.127 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 148 | 171.1 | -81.6 | -95.9 | 0 | 0 | 0 | 111.5 | R125 F126 P128 V134 F176 C222 | R125-F169 HydrophobicContact CB-CD2 4.03Å; R125-F169 HydrophobicContact CB-CE2 3.99Å; F126-F169 VanDerWaalsContact C-CE2 3.46Å; F126-F169 WeakPolarHBondContact O-CD2 3.42Å; F126-F169 WeakPolarHBondContact O-CE2 3.35Å; P128-F169 HydrophobicContact CG-CB 4.15Å; V134-F169 HydrophobicContact CB-CE2 4.05Å; V134-F169 HydrophobicContact CB-CZ 4.16Å; V134-F169 HydrophobicContact CG2-CE1 4.45Å; V134-F169 HydrophobicContact CG2-CE2 3.86Å; V134-F169 HydrophobicContact CG2-CZ 3.48Å; V134-F169 VanDerWaalsContact CG2-CZ 3.48Å; F169-F176 HydrophobicContact CB-CB 4.43Å; F169-F176 HydrophobicContact CD1-CB 3.76Å; F169-F176 HydrophobicContact CD1-CD1 4.36Å; F169-F176 HydrophobicContact CD1-CG 4.49Å; F169-F176 HydrophobicContact CD2-CB 4.26Å; F169-F176 HydrophobicContact CE1-CB 4.06Å; F169-F176 AromaticContact CE1-CD1 3.85Å; F169-F176 HydrophobicContact CE1-CD1 3.85Å; F169-F176 HydrophobicContact CE1-CG 4.31Å; F169-F176 HydrophobicContact CG-CB 3.89Å; F169-F176 HydrophobicContact CZ-CB 4.45Å; F169-F176 HydrophobicContact CZ-CD1 4.17Å; F169-F176 HydrophobicContact CZ-CG 4.49Å; F169-C222 WeakPolarHBondContact O-CB 3.36Å |
| 170 | S | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -57.7 | 140.4 | 156.9 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | P128 T172 G173 Q174 F175 | P128-S170 VanDerWaalsContact CG-O 3.31Å; P128-S170 WeakPolarHBondContact CG-O 3.45Å; S170-T172 PolarHBondContact O-N 3.27Å; S170-T172 VanDerWaalsContact O-N 3.12Å; S170-T172 PolarHBondContact OG-OG1 2.88Å; S170-G173 PolarHBondContact O-N 2.57Å; S170-G173 PolarHBondContact OG-N 2.78Å; S170-Q174 PolarHBondContact OG-N 2.97Å; S170-F175 WeakPolarHBondContact CB-O 3.47Å; S170-F175 PolarHBondContact N-O 2.86Å; S170-F175 PolarHBondContact OG-N 3.48Å; S170-F175 PolarHBondContact OG-O 2.83Å | ||
| 171 | P | 89.1 | Confident | 91 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 33% | 0.331 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.2 | 178.8 | -22.3 | 34.3 | 0 | 0 | 0 | 113.3 | G173 C222 | P171-G173 VanDerWaalsContact C-N 3.33Å; P171-C222 WeakPolarHBondContact CG-O 2.83Å |
| 172 | T | 86 | Confident | 91.7 | Very high | 58 Ų | 58 | 36 Ų | 36 | 36% | 0.356 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.3 | 173.4 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | S170 Q174 | S170-T172 PolarHBondContact O-N 3.27Å; S170-T172 VanDerWaalsContact O-N 3.12Å; S170-T172 PolarHBondContact OG-OG1 2.88Å; T172-Q174 PolarHBondContact O-N 2.88Å |
| 173 | G | 88.1 | Confident | 92.2 | Very high | 30 Ų | 30 | 35 Ų | 35 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 69.7 | 4.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S170 P171 F175 | S170-G173 PolarHBondContact O-N 2.57Å; S170-G173 PolarHBondContact OG-N 2.78Å; P171-G173 VanDerWaalsContact C-N 3.33Å; G173-F175 VanDerWaalsContact C-N 3.34Å; G173-F175 PolarHBondContact O-N 3.14Å |
| 174 | Q | 86.3 | Confident | 92.6 | Very high | 132 Ų | 132 | 30.8 Ų | 30.8 | 62% | 0.617 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -70.5 | -29.8 | -176.5 | -67.9 | 176.2 | -10 | 0 | 0 | 113.3 | S170 T172 | S170-Q174 PolarHBondContact OG-N 2.97Å; T172-Q174 PolarHBondContact O-N 2.88Å |
| 175 | F | 92.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 167.1 | 177.6 | 63.3 | -93.4 | 0 | 0 | 0 | 111.4 | S170 G173 V177 F186 W187 Y188 T300 | S170-F175 WeakPolarHBondContact CB-O 3.47Å; S170-F175 PolarHBondContact N-O 2.86Å; S170-F175 PolarHBondContact OG-N 3.48Å; S170-F175 PolarHBondContact OG-O 2.83Å; G173-F175 VanDerWaalsContact C-N 3.34Å; G173-F175 PolarHBondContact O-N 3.14Å; F175-V177 HydrophobicContact CD2-CG2 3.82Å; F175-V177 HydrophobicContact CE2-CG2 3.72Å; F175-F186 AromaticContact CD2-CD1 3.61Å; F175-F186 HydrophobicContact CD2-CD1 3.61Å; F175-F186 HydrophobicContact CD2-CE1 4.22Å; F175-F186 AromaticContact CE2-CD1 3.5Å; F175-F186 HydrophobicContact CE2-CD1 3.5Å; F175-F186 VanDerWaalsContact CE2-CD1 3.5Å; F175-F186 AromaticContact CE2-CE1 3.61Å; F175-F186 HydrophobicContact CE2-CE1 3.61Å; F175-F186 HydrophobicContact CG-CD1 4.38Å; F175-F186 HydrophobicContact CZ-CD1 4.18Å; F175-F186 HydrophobicContact CZ-CE1 4.11Å; F175-W187 WeakPolarHBondContact CA-O 3.19Å; F175-W187 VanDerWaalsContact CB-O 3.25Å; F175-W187 WeakPolarHBondContact CB-O 3.5Å; F175-Y188 HydrophobicContact CB-CD1 3.85Å; F175-Y188 HydrophobicContact CB-CE1 3.91Å; F175-Y188 HydrophobicContact CD1-CE1 4.35Å; F175-Y188 HydrophobicContact CG-CE1 4.38Å; F175-T300 HydrophobicContact CZ-CG2 4Å |
| 176 | F | 95.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155.2 | 163.3 | 63.5 | -92.5 | 0 | 0 | 0 | 110.9 | V134 L144 V146 V167 A168 F169 T178 W187 L202 | V134-F176 HydrophobicContact CG1-CD2 4.49Å; V134-F176 HydrophobicContact CG1-CE2 4.07Å; V134-F176 HydrophobicContact CG1-CZ 4.34Å; V134-F176 HydrophobicContact CG2-CD1 3.93Å; V134-F176 HydrophobicContact CG2-CD2 4.3Å; V134-F176 HydrophobicContact CG2-CE1 3.57Å; V134-F176 HydrophobicContact CG2-CE2 3.98Å; V134-F176 HydrophobicContact CG2-CG 4.27Å; V134-F176 HydrophobicContact CG2-CZ 3.57Å; L144-F176 HydrophobicContact CD1-CE2 3.92Å; L144-F176 HydrophobicContact CD2-CE2 3.88Å; L144-F176 HydrophobicContact CD2-CZ 3.69Å; V146-F176 HydrophobicContact CG2-CE1 4.1Å; V146-F176 HydrophobicContact CG2-CZ 4.1Å; V167-F176 HydrophobicContact CG2-CD2 4.05Å; A168-F176 CarbonylContact O-C 3.54Å; A168-F176 VanDerWaalsContact O-CA 3.32Å; A168-F176 WeakPolarHBondContact O-CA 3.38Å; A168-F176 WeakPolarHBondContact O-CB 3.39Å; F169-F176 HydrophobicContact CB-CB 4.43Å; F169-F176 HydrophobicContact CD1-CB 3.76Å; F169-F176 HydrophobicContact CD1-CD1 4.36Å; F169-F176 HydrophobicContact CD1-CG 4.49Å; F169-F176 HydrophobicContact CD2-CB 4.26Å; F169-F176 HydrophobicContact CE1-CB 4.06Å; F169-F176 AromaticContact CE1-CD1 3.85Å; F169-F176 HydrophobicContact CE1-CD1 3.85Å; F169-F176 HydrophobicContact CE1-CG 4.31Å; F169-F176 HydrophobicContact CG-CB 3.89Å; F169-F176 HydrophobicContact CZ-CB 4.45Å; F169-F176 HydrophobicContact CZ-CD1 4.17Å; F169-F176 HydrophobicContact CZ-CG 4.49Å; F176-T178 HydrophobicContact CD2-CG2 4.46Å; F176-T178 HydrophobicContact CE2-CG2 4.39Å; F176-W187 HydrophobicContact CD1-CB 4.3Å; F176-W187 HydrophobicContact CD2-CB 4.12Å; F176-W187 AromaticContact CD2-CD1 3.77Å; F176-W187 HydrophobicContact CD2-CG 4.25Å; F176-W187 HydrophobicContact CE1-CB 4Å; F176-W187 HydrophobicContact CE2-CB 3.78Å; F176-W187 AromaticContact CE2-CD1 3.48Å; F176-W187 VanDerWaalsContact CE2-CD1 3.48Å; F176-W187 AromaticContact CE2-CG 3.75Å; F176-W187 HydrophobicContact CE2-CG 3.75Å; F176-W187 HydrophobicContact CG-CB 4.38Å; F176-W187 HydrophobicContact CZ-CB 3.74Å; F176-W187 HydrophobicContact CZ-CG 4.07Å; F176-W187 PolarHBondContact N-O 3.3Å; F176-W187 PolarHBondContact O-N 2.99Å; F176-L202 HydrophobicContact CE1-CD1 4.37Å; F176-L202 HydrophobicContact CE1-CD2 4.24Å; F176-L202 HydrophobicContact CE2-CD2 4.36Å; F176-L202 HydrophobicContact CZ-CD1 4.48Å; F176-L202 HydrophobicContact CZ-CD2 3.54Å |
| 177 | V | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.6 | -174.6 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | V167 A168 F175 V179 V184 R185 F186 V220 T302 | V167-V177 VanDerWaalsContact CA-O 3.27Å; V167-V177 WeakPolarHBondContact CA-O 3.42Å; A168-V177 PolarHBondContact N-O 3.15Å; A168-V177 PolarHBondContact O-N 2.84Å; F175-V177 HydrophobicContact CD2-CG2 3.82Å; F175-V177 HydrophobicContact CE2-CG2 3.72Å; V177-V179 HydrophobicContact CG1-CG1 4.31Å; V177-V184 HydrophobicContact CG1-CG1 3.61Å; V177-R185 CarbonylContact C-O 3.53Å; V177-R185 VanDerWaalsContact CA-O 3.31Å; V177-R185 WeakPolarHBondContact CA-O 3.21Å; V177-F186 HydrophobicContact CG2-CD1 3.63Å; V177-F186 HydrophobicContact CG2-CE1 3.7Å; V177-F186 HydrophobicContact CG2-CG 4.09Å; V177-F186 HydrophobicContact CG2-CZ 4.22Å; V177-V220 HydrophobicContact CB-CG2 4.06Å; V177-V220 HydrophobicContact CG1-CG2 4.01Å; V177-T302 HydrophobicContact CB-CG2 4.35Å; V177-T302 HydrophobicContact CG1-CG2 4.12Å; V177-T302 HydrophobicContact CG2-CG2 3.92Å |
| 178 | T | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.6 | 168.5 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | L144 I164 G166 V167 F176 Y183 R185 W187 | L144-T178 HydrophobicContact CD1-CG2 3.55Å; I164-T178 HydrophobicContact CD1-CG2 4.21Å; G166-T178 WeakPolarHBondContact O-CA 3.24Å; V167-T178 HydrophobicContact CB-CG2 4.22Å; V167-T178 HydrophobicContact CG2-CG2 3.92Å; F176-T178 HydrophobicContact CD2-CG2 4.46Å; F176-T178 HydrophobicContact CE2-CG2 4.39Å; T178-Y183 WeakPolarHBondContact O-CE2 3.31Å; T178-R185 PolarHBondContact N-O 2.86Å; T178-R185 PolarHBondContact O-N 3.08Å; T178-W187 PolarHBondContact OG1-NE1 2.92Å |
| 179 | V | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.4 | 179.1 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | I164 Y165 G166 V177 V184 F217 V220 V304 | I164-V179 WeakPolarHBondContact CA-O 3.21Å; Y165-V179 PolarHBondContact N-O 2.82Å; G166-V179 PolarHBondContact O-N 3.15Å; V177-V179 HydrophobicContact CG1-CG1 4.31Å; V179-V184 HydrophobicContact CG1-CB 4.35Å; V179-V184 HydrophobicContact CG1-CG1 4.07Å; V179-V184 HydrophobicContact CG1-CG2 3.98Å; V179-F217 HydrophobicContact CB-CB 3.74Å; V179-F217 HydrophobicContact CG1-CB 4.42Å; V179-F217 HydrophobicContact CG2-CB 4.29Å; V179-V220 HydrophobicContact CG1-CB 3.69Å; V179-V220 HydrophobicContact CG1-CG1 3.98Å; V179-V220 HydrophobicContact CG1-CG2 4.11Å; V179-V220 HydrophobicContact CG2-CB 4Å; V179-V220 HydrophobicContact CG2-CG1 3.84Å; V179-V304 HydrophobicContact CG1-CG1 3.81Å |
| 180 | G | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | -156.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R163 R182 Y183 F217 | R163-G180 WeakPolarHBondContact O-CA 3.44Å; G180-R182 PolarHBondContact O-N 2.83Å; G180-Y183 PolarHBondContact N-O 3.24Å; G180-Y183 VanDerWaalsContact N-O 3.12Å; G180-F217 PolarHBondContact O-N 3.06Å; G180-F217 VanDerWaalsContact O-N 3.07Å |
| 181 | V | 92.7 | Very high | 89.5 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 29% | 0.285 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -69.8 | 115.8 | 175.4 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | Y165 Y183 V216 | Y165-V181 HydrophobicContact CE2-CG2 3.87Å; V181-Y183 VanDerWaalsContact C-N 3.3Å; V181-Y183 VanDerWaalsContact O-CD1 3.32Å; V181-Y183 WeakPolarHBondContact O-CD1 3Å; V181-Y183 PolarHBondContact O-N 2.83Å; V181-V216 HydrophobicContact CG1-CG2 4.32Å; V181-V216 HydrophobicContact CG2-CG1 4.2Å; V181-V216 HydrophobicContact CG2-CG2 4.26Å |
| 182 | R | 92.5 | Very high | 87.9 | Confident | 147 Ų | 147 | 46.4 Ų | 46.4 | 56% | 0.555 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 17.2 | 178.5 | -57.7 | -175 | 175.7 | 123.9 | 1 | 116.4 | G180 F213 N214 S215 | G180-R182 PolarHBondContact O-N 2.83Å; R182-F213 WeakPolarHBondContact CA-O 3.42Å; R182-F213 VanDerWaalsContact CB-O 3.28Å; R182-F213 WeakPolarHBondContact CB-O 3.42Å; R182-F213 WeakPolarHBondContact CG-O 3.13Å; R182-N214 PolarHBondContact NE-OD1 3.01Å; R182-N214 PolarHBondContact NH2-OD1 3.26Å; R182-S215 WeakPolarHBondContact CA-O 3.49Å; R182-S215 PolarHBondContact N-O 3Å |
| 183 | Y | 93.5 | Very high | 86.2 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 152.1 | 174.4 | 75.9 | -83.3 | 0 | 0 | 0 | 115.1 | S162 I164 T178 G180 V181 R185 F217 | S162-Y183 WeakPolarHBondContact OG-CE1 3.44Å; I164-Y183 WeakPolarHBondContact CG1-OH 3.2Å; T178-Y183 WeakPolarHBondContact O-CE2 3.31Å; G180-Y183 PolarHBondContact N-O 3.24Å; G180-Y183 VanDerWaalsContact N-O 3.12Å; V181-Y183 VanDerWaalsContact C-N 3.3Å; V181-Y183 VanDerWaalsContact O-CD1 3.32Å; V181-Y183 WeakPolarHBondContact O-CD1 3Å; V181-Y183 PolarHBondContact O-N 2.83Å; Y183-R185 HydrophobicContact CD2-CB 3.77Å; Y183-R185 HydrophobicContact CE2-CB 4.22Å; Y183-F217 WeakPolarHBondContact O-CD2 3.44Å |
| 184 | V | 95.5 | Very high | 84.5 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.1 | 154.7 | 176.2 | 0 | 0 | 0 | 0 | 105.3 | V177 V179 F186 A207 L209 F217 V304 F314 | V177-V184 HydrophobicContact CG1-CG1 3.61Å; V179-V184 HydrophobicContact CG1-CB 4.35Å; V179-V184 HydrophobicContact CG1-CG1 4.07Å; V179-V184 HydrophobicContact CG1-CG2 3.98Å; V184-F186 HydrophobicContact CG1-CE2 4.07Å; V184-A207 HydrophobicContact CB-CB 3.84Å; V184-A207 HydrophobicContact CG1-CB 4.07Å; V184-A207 PolarHBondContact O-N 2.75Å; V184-L209 HydrophobicContact CB-CD2 4.28Å; V184-L209 HydrophobicContact CG2-CD2 4.13Å; V184-F217 HydrophobicContact CG2-CD1 3.84Å; V184-F217 HydrophobicContact CG2-CD2 3.88Å; V184-F217 HydrophobicContact CG2-CE1 3.94Å; V184-F217 HydrophobicContact CG2-CE2 3.99Å; V184-F217 HydrophobicContact CG2-CG 3.81Å; V184-F217 HydrophobicContact CG2-CZ 4.03Å; V184-V304 HydrophobicContact CG1-CG1 4.29Å; V184-V304 HydrophobicContact CG2-CG1 4.24Å; V184-V304 HydrophobicContact CG2-CG2 4.37Å; V184-F314 HydrophobicContact CB-CE2 4.5Å; V184-F314 HydrophobicContact CG1-CE2 4.4Å; V184-F314 HydrophobicContact CG2-CE2 4.07Å; V184-F314 HydrophobicContact CG2-CZ 4.33Å |
| 185 | R | 94.8 | Very high | 82.9 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 18% | 0.181 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.7 | -174.7 | -180 | 176.7 | -68.3 | 169.9 | 6.6 | 111.7 | V177 T178 Y183 W187 N206 | V177-R185 CarbonylContact C-O 3.53Å; V177-R185 VanDerWaalsContact CA-O 3.31Å; V177-R185 WeakPolarHBondContact CA-O 3.21Å; T178-R185 PolarHBondContact N-O 2.86Å; T178-R185 PolarHBondContact O-N 3.08Å; Y183-R185 HydrophobicContact CD2-CB 3.77Å; Y183-R185 HydrophobicContact CE2-CB 4.22Å; R185-W187 HydrophobicContact CG-CD2 4.28Å; R185-W187 HydrophobicContact CG-CZ2 4.17Å; R185-N206 PolarHBondContact NE-OD1 2.93Å; R185-N206 PolarHBondContact NH2-OD1 2.99Å |
| 186 | F | 94.8 | Very high | 81.2 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.2 | 178 | -67.2 | -109 | 0 | 0 | 0 | 109 | F175 V177 V184 Y188 G204 R205 A207 T302 F314 R318 | F175-F186 AromaticContact CD2-CD1 3.61Å; F175-F186 HydrophobicContact CD2-CD1 3.61Å; F175-F186 HydrophobicContact CD2-CE1 4.22Å; F175-F186 AromaticContact CE2-CD1 3.5Å; F175-F186 HydrophobicContact CE2-CD1 3.5Å; F175-F186 VanDerWaalsContact CE2-CD1 3.5Å; F175-F186 AromaticContact CE2-CE1 3.61Å; F175-F186 HydrophobicContact CE2-CE1 3.61Å; F175-F186 HydrophobicContact CG-CD1 4.38Å; F175-F186 HydrophobicContact CZ-CD1 4.18Å; F175-F186 HydrophobicContact CZ-CE1 4.11Å; V177-F186 HydrophobicContact CG2-CD1 3.63Å; V177-F186 HydrophobicContact CG2-CE1 3.7Å; V177-F186 HydrophobicContact CG2-CG 4.09Å; V177-F186 HydrophobicContact CG2-CZ 4.22Å; V184-F186 HydrophobicContact CG1-CE2 4.07Å; F186-Y188 HydrophobicContact CB-CE2 4.03Å; F186-G204 CarbonylContact O-C 3.59Å; F186-G204 WeakPolarHBondContact O-CA 3.44Å; F186-R205 PolarHBondContact N-O 3.19Å; F186-R205 PolarHBondContact O-N 3.36Å; F186-A207 HydrophobicContact CD2-CB 4.48Å; F186-A207 HydrophobicContact CE2-CB 3.96Å; F186-T302 HydrophobicContact CE1-CG2 4.35Å; F186-T302 WeakPolarHBondContact CE1-OG1 3.34Å; F186-T302 HydrophobicContact CZ-CG2 4.02Å; F186-F314 HydrophobicContact CZ-CB 4.16Å; F186-R318 HydrophobicContact CB-CG 4.36Å; F186-R318 HydrophobicContact CD1-CG 3.94Å; F186-R318 HydrophobicContact CD2-CB 3.96Å; F186-R318 HydrophobicContact CD2-CG 3.53Å; F186-R318 HydrophobicContact CE1-CG 4.08Å; F186-R318 HydrophobicContact CE2-CB 3.74Å; F186-R318 HydrophobicContact CE2-CG 3.69Å; F186-R318 HydrophobicContact CG-CG 3.69Å; F186-R318 HydrophobicContact CZ-CB 4.18Å; F186-R318 HydrophobicContact CZ-CG 3.96Å |
| 187 | W | 94.4 | Very high | 79.6 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132 | 178.4 | -56 | 94 | 0 | 0 | 0 | 110.5 | A158 V160 F175 F176 T178 R185 L202 | A158-W187 HydrophobicContact CB-CE3 4.27Å; A158-W187 HydrophobicContact CB-CH2 3.43Å; A158-W187 VanDerWaalsContact CB-CH2 3.43Å; A158-W187 HydrophobicContact CB-CZ2 4.28Å; A158-W187 HydrophobicContact CB-CZ3 3.44Å; A158-W187 VanDerWaalsContact CB-CZ3 3.44Å; V160-W187 HydrophobicContact CG2-CH2 4.32Å; V160-W187 HydrophobicContact CG2-CZ2 4.07Å; F175-W187 WeakPolarHBondContact CA-O 3.19Å; F175-W187 VanDerWaalsContact CB-O 3.25Å; F175-W187 WeakPolarHBondContact CB-O 3.5Å; F176-W187 HydrophobicContact CD1-CB 4.3Å; F176-W187 HydrophobicContact CD2-CB 4.12Å; F176-W187 AromaticContact CD2-CD1 3.77Å; F176-W187 HydrophobicContact CD2-CG 4.25Å; F176-W187 HydrophobicContact CE1-CB 4Å; F176-W187 HydrophobicContact CE2-CB 3.78Å; F176-W187 AromaticContact CE2-CD1 3.48Å; F176-W187 VanDerWaalsContact CE2-CD1 3.48Å; F176-W187 AromaticContact CE2-CG 3.75Å; F176-W187 HydrophobicContact CE2-CG 3.75Å; F176-W187 HydrophobicContact CG-CB 4.38Å; F176-W187 HydrophobicContact CZ-CB 3.74Å; F176-W187 HydrophobicContact CZ-CG 4.07Å; F176-W187 PolarHBondContact N-O 3.3Å; F176-W187 PolarHBondContact O-N 2.99Å; T178-W187 PolarHBondContact OG1-NE1 2.92Å; R185-W187 HydrophobicContact CG-CD2 4.28Å; R185-W187 HydrophobicContact CG-CZ2 4.17Å; W187-L202 HydrophobicContact CB-CD1 4.45Å; W187-L202 HydrophobicContact CB-CD2 3.9Å; W187-L202 HydrophobicContact CB-CG 4.16Å; W187-L202 HydrophobicContact CD2-CD2 3.76Å; W187-L202 HydrophobicContact CD2-CG 4.31Å; W187-L202 HydrophobicContact CE3-CB 4.4Å; W187-L202 HydrophobicContact CE3-CD2 3.59Å; W187-L202 HydrophobicContact CE3-CG 3.75Å; W187-L202 HydrophobicContact CG-CD2 3.95Å; W187-L202 HydrophobicContact CZ3-CD2 4.3Å; W187-L202 HydrophobicContact CZ3-CG 4.49Å; W187-L202 WeakPolarHBondContact CZ3-O 3.12Å |
| 188 | Y | 91.3 | Very high | 78.4 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 24% | 0.235 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.9 | -177.5 | -59.7 | -87.6 | 0 | 0 | 0 | 110.2 | F175 F186 H203 R205 R318 | F175-Y188 HydrophobicContact CB-CD1 3.85Å; F175-Y188 HydrophobicContact CB-CE1 3.91Å; F175-Y188 HydrophobicContact CD1-CE1 4.35Å; F175-Y188 HydrophobicContact CG-CE1 4.38Å; F186-Y188 HydrophobicContact CB-CE2 4.03Å; Y188-H203 PolarHBondContact N-O 2.95Å; Y188-R205 HydrophobicContact CD2-CG 4.48Å; Y188-R205 HydrophobicContact CE2-CB 4.14Å; Y188-R205 HydrophobicContact CE2-CG 4Å; Y188-R318 PolarHBondContact OH-NH1 2.99Å |
| 189 | L | 81.6 | Confident | 77.8 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | trans | -112.2 | 115.3 | 176.8 | -170.2 | 70.1 | 0 | 0 | 0 | 108.8 | Y132 V146 A156 N191 L202 | Y132-L189 HydrophobicContact CD1-CD2 4.32Å; Y132-L189 HydrophobicContact CD2-CD2 3.68Å; Y132-L189 HydrophobicContact CE1-CD2 4.15Å; Y132-L189 HydrophobicContact CE2-CD2 3.46Å; Y132-L189 VanDerWaalsContact CE2-CD2 3.46Å; Y132-L189 HydrophobicContact CG-CD2 4.09Å; V146-L189 HydrophobicContact CG1-CD2 4.37Å; A156-L189 HydrophobicContact CB-CD1 4.11Å; L189-N191 PolarHBondContact O-N 3.09Å; L189-L202 HydrophobicContact CD1-CD1 4.26Å | ||
| 190 | E | 71.7 | Confident | 77.3 | Confident | 111 Ų | 111 | 89.9 Ų | 89.9 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | trans | -78.9 | 118.1 | 178.6 | -64.7 | -168.7 | 146.9 | 0 | 0 | 110.6 | K192 | E190-K192 HydrophobicContact CB-CD 4.47Å; E190-K192 HydrophobicContact CB-CG 4.37Å; E190-K192 VanDerWaalsContact CD-NZ 3.28Å; E190-K192 PolarHBondContact O-N 2.95Å; E190-K192 IonicContact OE1-NZ 3.27Å; E190-K192 PolarHBondContact OE1-NZ 3.42Å; E190-K192 WeakPolarHBondContact OE2-CD 3.38Å; E190-K192 VanDerWaalsContact OE2-CE 3.24Å; E190-K192 WeakPolarHBondContact OE2-CE 3.45Å; E190-K192 IonicContact OE2-NZ 2.85Å; E190-K192 PolarHBondContact OE2-NZ 3.49Å | ||
| 191 | N | 60.7 | Low | 77 | Confident | 129 Ų | 129 | 94.2 Ų | 94.2 | 69% | 0.69 | 43% | 0.43 | S | S | * | . | trans | -74 | 41.3 | 175.2 | -77.4 | -28.6 | 0 | 0 | 0 | 113.3 | L189 R193 | L189-N191 PolarHBondContact O-N 3.09Å; N191-R193 PolarHBondContact O-N 2.87Å | ||
| 192 | K | 54.7 | Low | 76.7 | Confident | 128 Ų | 128 | 92.7 Ų | 92.7 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | trans | -74 | 123.2 | 174.2 | -74.2 | 175.1 | -178.2 | 155.8 | 0 | 109.3 | E190 N194 | E190-K192 HydrophobicContact CB-CD 4.47Å; E190-K192 HydrophobicContact CB-CG 4.37Å; E190-K192 VanDerWaalsContact CD-NZ 3.28Å; E190-K192 PolarHBondContact O-N 2.95Å; E190-K192 IonicContact OE1-NZ 3.27Å; E190-K192 PolarHBondContact OE1-NZ 3.42Å; E190-K192 WeakPolarHBondContact OE2-CD 3.38Å; E190-K192 VanDerWaalsContact OE2-CE 3.24Å; E190-K192 WeakPolarHBondContact OE2-CE 3.45Å; E190-K192 IonicContact OE2-NZ 2.85Å; E190-K192 PolarHBondContact OE2-NZ 3.49Å; K192-N194 PolarHBondContact O-N 2.71Å | ||
| 193 | R | 51.3 | Low | 76.4 | Confident | 250 Ų | 250 | 91.3 Ų | 91.3 | 94% | 0.943 | 42% | 0.42 | S | S | * | . | trans | -71.8 | 50.5 | 176.8 | -73.3 | 179.6 | 167.7 | 169.3 | -5.2 | 112.7 | N191 K195 | N191-R193 PolarHBondContact O-N 2.87Å; R193-K195 PolarHBondContact O-N 2.86Å | ||
| 194 | N | 51.4 | Low | 76.1 | Confident | 91 Ų | 91 | 92.3 Ų | 92.3 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | trans | -73.6 | 121.5 | 178.1 | -73 | 3.6 | 0 | 0 | 0 | 109.6 | K192 I196 | K192-N194 PolarHBondContact O-N 2.71Å; N194-I196 HydrophobicContact CB-CB 4.47Å; N194-I196 HydrophobicContact CB-CD1 4.28Å; N194-I196 HydrophobicContact CB-CG1 4.23Å; N194-I196 PolarHBondContact O-N 3.39Å | ||
| 195 | K | 53.7 | Low | 76 | Confident | 214 Ų | 214 | 99.4 Ų | 99.4 | 93% | 0.93 | 46% | 0.461 | S | S | * | . | trans | -71.2 | 23 | 175.2 | -65.2 | 178.3 | 176.9 | 174.3 | 0 | 113.3 | R193 | R193-K195 PolarHBondContact O-N 2.86Š| ||
| 196 | I | 54.9 | Low | 75.9 | Confident | 101 Ų | 101 | 101.3 Ų | 101.3 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | trans | -99.5 | 126.6 | -170.6 | -54.7 | 175.3 | 0 | 0 | 0 | 108.6 | N194 E198 | N194-I196 HydrophobicContact CB-CB 4.47Å; N194-I196 HydrophobicContact CB-CD1 4.28Å; N194-I196 HydrophobicContact CB-CG1 4.23Å; N194-I196 PolarHBondContact O-N 3.39Å; I196-E198 HydrophobicContact CG2-CB 3.93Å; I196-E198 HydrophobicContact CG2-CG 3.81Å; I196-E198 PolarHBondContact O-N 2.74Å | ||
| 197 | R | 61.4 | Low | 75.8 | Confident | 230 Ų | 230 | 101.7 Ų | 101.7 | 87% | 0.868 | 48% | 0.478 | S | S | * | . | trans | -83 | 23.7 | -176.4 | -66.8 | -176.7 | 172.7 | -176.7 | -2.8 | 114.2 | ||||
| 198 | E | 72.5 | Confident | 75.7 | Confident | 146 Ų | 146 | 106.2 Ų | 106.2 | 68% | 0.682 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -100.2 | 137.4 | -173.4 | -66.9 | 178.5 | 177 | 0 | 0 | 110.9 | I196 L200 | I196-E198 HydrophobicContact CG2-CB 3.93Å; I196-E198 HydrophobicContact CG2-CG 3.81Å; I196-E198 PolarHBondContact O-N 2.74Å; E198-L200 PolarHBondContact O-N 2.97Å; E198-L200 VanDerWaalsContact O-N 3.16Å |
| 199 | T | 81.2 | Confident | 75.5 | Confident | 49 Ų | 49 | 104.3 Ų | 104.3 | 30% | 0.301 | 50% | 0.496 | S | S | . | . | trans | -64.7 | 114.6 | 172.4 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | R154 A156 | R154-T199 HydrophobicContact CG-CG2 3.79Å; R154-T199 PolarHBondContact NE-OG1 3.35Å; R154-T199 WeakPolarHBondContact O-CB 3.35Å; R154-T199 PolarHBondContact O-OG1 2.97Å; A156-T199 VanDerWaalsContact C-CG2 3.48Å | ||
| 200 | L | 85.1 | Confident | 75.8 | Confident | 72 Ų | 72 | 105 Ų | 105 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 145.9 | -178.4 | -61.1 | 176.6 | 0 | 0 | 0 | 112.1 | V155 A156 S157 E198 L202 | V155-L200 PolarHBondContact O-N 3.15Å; A156-L200 CarbonylContact C-O 3.54Å; A156-L200 WeakPolarHBondContact CA-O 3.37Å; A156-L200 HydrophobicContact CB-CB 4.38Å; A156-L200 WeakPolarHBondContact CB-O 3.29Å; S157-L200 PolarHBondContact N-O 3.15Å; E198-L200 PolarHBondContact O-N 2.97Å; E198-L200 VanDerWaalsContact O-N 3.16Å; L200-L202 PolarHBondContact O-N 3.19Å |
| 201 | P | 86.3 | Confident | 76.4 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 125.4 | 166.1 | 28.8 | -32.9 | 0 | 0 | 0 | 109.6 | H203 | P201-H203 PolarHBondContact O-CE1 2.83Å; P201-H203 PolarHBondContact O-ND1 3.12Å |
| 202 | L | 87.7 | Confident | 77.5 | Confident | 15 Ų | 15 | 102 Ų | 102 | 8% | 0.079 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 123.9 | -179.2 | -178.1 | 75.9 | 0 | 0 | 0 | 110.8 | L144 V146 A156 S157 A158 F176 W187 L189 L200 | L144-L202 HydrophobicContact CD2-CD2 3.74Å; V146-L202 HydrophobicContact CG2-CD1 4.16Å; V146-L202 HydrophobicContact CG2-CD2 4.23Å; A156-L202 HydrophobicContact CB-CB 4.21Å; A156-L202 HydrophobicContact CB-CD1 4.21Å; S157-L202 PolarHBondContact O-N 3.1Å; A158-L202 HydrophobicContact CB-CB 4.19Å; A158-L202 HydrophobicContact CB-CD2 4.29Å; F176-L202 HydrophobicContact CE1-CD1 4.37Å; F176-L202 HydrophobicContact CE1-CD2 4.24Å; F176-L202 HydrophobicContact CE2-CD2 4.36Å; F176-L202 HydrophobicContact CZ-CD1 4.48Å; F176-L202 HydrophobicContact CZ-CD2 3.54Å; W187-L202 HydrophobicContact CB-CD1 4.45Å; W187-L202 HydrophobicContact CB-CD2 3.9Å; W187-L202 HydrophobicContact CB-CG 4.16Å; W187-L202 HydrophobicContact CD2-CD2 3.76Å; W187-L202 HydrophobicContact CD2-CG 4.31Å; W187-L202 HydrophobicContact CE3-CB 4.4Å; W187-L202 HydrophobicContact CE3-CD2 3.59Å; W187-L202 HydrophobicContact CE3-CG 3.75Å; W187-L202 HydrophobicContact CG-CD2 3.95Å; W187-L202 HydrophobicContact CZ3-CD2 4.3Å; W187-L202 HydrophobicContact CZ3-CG 4.49Å; W187-L202 WeakPolarHBondContact CZ3-O 3.12Å; L189-L202 HydrophobicContact CD1-CD1 4.26Å; L200-L202 PolarHBondContact O-N 3.19Å |
| 203 | H | 85.7 | Confident | 79 | Confident | 118 Ų | 118 | 101.6 Ų | 101.6 | 55% | 0.546 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 115.2 | -173.6 | -67.4 | 90.4 | 0 | 0 | 0 | 111.9 | Y188 P201 | Y188-H203 PolarHBondContact N-O 2.95Å; P201-H203 PolarHBondContact O-CE1 2.83Å; P201-H203 PolarHBondContact O-ND1 3.12Å |
| 204 | G | 87.8 | Confident | 80.7 | Confident | 35 Ų | 35 | 94 Ų | 94 | 36% | 0.361 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F186 | F186-G204 CarbonylContact O-C 3.59Å; F186-G204 WeakPolarHBondContact O-CA 3.44Å |
| 205 | R | 93 | Very high | 82.7 | Confident | 150 Ų | 150 | 90.6 Ų | 90.6 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.2 | 169.9 | -61.3 | -179.1 | 177.5 | 157.1 | -1.7 | 109.5 | F186 Y188 | F186-R205 PolarHBondContact N-O 3.19Å; F186-R205 PolarHBondContact O-N 3.36Å; Y188-R205 HydrophobicContact CD2-CG 4.48Å; Y188-R205 HydrophobicContact CE2-CB 4.14Å; Y188-R205 HydrophobicContact CE2-CG 4Å |
| 206 | N | 92.4 | Very high | 84.6 | Confident | 88 Ų | 88 | 82.1 Ų | 82.1 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 155.3 | 174 | -60.3 | -31.8 | 0 | 0 | 0 | 110.5 | R185 | R185-N206 PolarHBondContact NE-OD1 2.93Å; R185-N206 PolarHBondContact NH2-OD1 2.99Å |
| 207 | A | 93.2 | Very high | 86.6 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 8% | 0.083 | 40% | 0.401 | C | S | . | . | trans | -76 | 156.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V184 F186 L209 F314 R318 | V184-A207 HydrophobicContact CB-CB 3.84Å; V184-A207 HydrophobicContact CG1-CB 4.07Å; V184-A207 PolarHBondContact O-N 2.75Å; F186-A207 HydrophobicContact CD2-CB 4.48Å; F186-A207 HydrophobicContact CE2-CB 3.96Å; A207-L209 HydrophobicContact CB-CD2 4.02Å; A207-L209 PolarHBondContact O-N 3.11Å; A207-F314 HydrophobicContact CB-CD1 3.85Å; A207-F314 HydrophobicContact CB-CE1 3.63Å; A207-F314 HydrophobicContact CB-CZ 4.15Å; A207-R318 WeakPolarHBondContact CA-O 3.38Å | ||
| 208 | I | 91.1 | Very high | 88.2 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -88.3 | 99.5 | 174.4 | -70.1 | 169.2 | 0 | 0 | 0 | 108 | R318 D319 | I208-R318 PolarHBondContact N-O 3.01Å; I208-D319 WeakPolarHBondContact CB-OD1 3.49Å; I208-D319 WeakPolarHBondContact CD1-OD1 3.48Å |
| 209 | L | 88.9 | Confident | 89.3 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | trans | -84.8 | -19.4 | -171.2 | -59.8 | -174.6 | 0 | 0 | 0 | 114.7 | V184 A207 D211 M212 F217 F314 | V184-L209 HydrophobicContact CB-CD2 4.28Å; V184-L209 HydrophobicContact CG2-CD2 4.13Å; A207-L209 HydrophobicContact CB-CD2 4.02Å; A207-L209 PolarHBondContact O-N 3.11Å; L209-D211 PolarHBondContact O-N 3.1Å; L209-M212 WeakPolarHBondContact O-CB 3.37Å; L209-M212 PolarHBondContact O-N 3.16Å; L209-F217 HydrophobicContact CD1-CE2 3.83Å; L209-F217 HydrophobicContact CD1-CZ 4.19Å; L209-F217 HydrophobicContact CD2-CE2 4.18Å; L209-F217 HydrophobicContact CD2-CZ 3.86Å; L209-F314 HydrophobicContact CD2-CE1 4Å; L209-F314 HydrophobicContact CD2-CZ 3.59Å | ||
| 210 | G | 86.3 | Confident | 90.1 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 50.2 | -131.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M212 F213 | G210-M212 PolarHBondContact O-N 3.48Å; G210-F213 PolarHBondContact O-N 3.46Å; G210-F213 VanDerWaalsContact O-N 3.13Å |
| 211 | D | 83.9 | Confident | 90.6 | Very high | 163 Ų | 163 | 55.5 Ų | 55.5 | 87% | 0.872 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -55.4 | -20.7 | 177.4 | -58.1 | -22.5 | 0 | 0 | 0 | 113.7 | L209 F213 | L209-D211 PolarHBondContact O-N 3.1Å; D211-F213 VanDerWaalsContact C-N 3.27Å; D211-F213 PolarHBondContact O-N 2.93Å |
| 212 | M | 85.2 | Confident | 91 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.069 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -83.3 | 6.2 | -179.4 | -53 | -151.7 | -167.7 | 0 | 0 | 114 | L209 G210 N214 S215 I312 L320 W323 | L209-M212 WeakPolarHBondContact O-CB 3.37Å; L209-M212 PolarHBondContact O-N 3.16Å; G210-M212 PolarHBondContact O-N 3.48Å; M212-N214 PolarHBondContact O-N 2.56Å; M212-N214 VanDerWaalsContact O-N 3.08Å; M212-S215 WeakPolarHBondContact O-CB 3.12Å; M212-S215 PolarHBondContact O-N 2.86Å; M212-S215 PolarHBondContact O-OG 3.09Å; M212-I312 HydrophobicContact CE-CD1 4.37Å; M212-I312 HydrophobicContact CE-CG1 4.34Å; M212-I312 HydrophobicContact SD-CD1 3.44Å; M212-I312 WeakPolarHBondContact SD-CD1 3.42Å; M212-I312 HydrophobicContact SD-CG1 4.02Å; M212-L320 HydrophobicContact CE-CD1 3.83Å; M212-L320 HydrophobicContact CG-CD1 4.18Å; M212-L320 HydrophobicContact SD-CD1 3.9Å; M212-W323 HydrophobicContact CE-CB 4.25Å; M212-W323 HydrophobicContact CE-CD2 3.84Å; M212-W323 HydrophobicContact CE-CE3 4.38Å; M212-W323 HydrophobicContact CE-CG 3.75Å |
| 213 | F | 85.8 | Confident | 91.1 | Very high | 120 Ų | 120 | 51.6 Ų | 51.6 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -53.1 | -29.7 | -177.9 | 77 | -81.2 | 0 | 0 | 0 | 115.3 | R182 G210 D211 | R182-F213 WeakPolarHBondContact CA-O 3.42Å; R182-F213 VanDerWaalsContact CB-O 3.28Å; R182-F213 WeakPolarHBondContact CB-O 3.42Å; R182-F213 WeakPolarHBondContact CG-O 3.13Å; G210-F213 PolarHBondContact O-N 3.46Å; G210-F213 VanDerWaalsContact O-N 3.13Å; D211-F213 VanDerWaalsContact C-N 3.27Å; D211-F213 PolarHBondContact O-N 2.93Å |
| 214 | N | 87.3 | Confident | 91.1 | Very high | 90 Ų | 90 | 49.1 Ų | 49.1 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -87.9 | 0.6 | 179.1 | -102.9 | -26.4 | 0 | 0 | 0 | 114.3 | R182 M212 | R182-N214 PolarHBondContact NE-OD1 3.01Å; R182-N214 PolarHBondContact NH2-OD1 3.26Å; M212-N214 PolarHBondContact O-N 2.56Å; M212-N214 VanDerWaalsContact O-N 3.08Å |
| 215 | S | 92.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | trans | -69.8 | 150.7 | -176.4 | -53.2 | 0 | 0 | 0 | 0 | 113 | R182 M212 | R182-S215 WeakPolarHBondContact CA-O 3.49Å; R182-S215 PolarHBondContact N-O 3Å; M212-S215 WeakPolarHBondContact O-CB 3.12Å; M212-S215 PolarHBondContact O-N 2.86Å; M212-S215 PolarHBondContact O-OG 3.09Å | ||
| 216 | V | 95.1 | Very high | 88.6 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 22% | 0.218 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 115.2 | 162.9 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | Y165 V181 N306 T307 | Y165-V216 HydrophobicContact CD2-CG1 4.05Å; Y165-V216 HydrophobicContact CE2-CG1 3.57Å; V181-V216 HydrophobicContact CG1-CG2 4.32Å; V181-V216 HydrophobicContact CG2-CG1 4.2Å; V181-V216 HydrophobicContact CG2-CG2 4.26Å; V216-N306 VanDerWaalsContact O-CA 3.29Å; V216-N306 WeakPolarHBondContact O-CA 3.21Å; V216-N306 VanDerWaalsContact O-CB 3.31Å; V216-N306 WeakPolarHBondContact O-CB 3.37Å; V216-T307 HydrophobicContact CB-CG2 3.77Å; V216-T307 HydrophobicContact CG1-CG2 3.91Å; V216-T307 PolarHBondContact O-N 2.99Å |
| 217 | F | 95.9 | Very high | 86 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.4 | 178.9 | -61.5 | -86.2 | 0 | 0 | 0 | 109.5 | Y165 V179 G180 Y183 V184 L209 V304 V305 N306 I312 | Y165-F217 WeakPolarHBondContact CD2-O 3.28Å; V179-F217 HydrophobicContact CB-CB 3.74Å; V179-F217 HydrophobicContact CG1-CB 4.42Å; V179-F217 HydrophobicContact CG2-CB 4.29Å; G180-F217 PolarHBondContact O-N 3.06Å; G180-F217 VanDerWaalsContact O-N 3.07Å; Y183-F217 WeakPolarHBondContact O-CD2 3.44Å; V184-F217 HydrophobicContact CG2-CD1 3.84Å; V184-F217 HydrophobicContact CG2-CD2 3.88Å; V184-F217 HydrophobicContact CG2-CE1 3.94Å; V184-F217 HydrophobicContact CG2-CE2 3.99Å; V184-F217 HydrophobicContact CG2-CG 3.81Å; V184-F217 HydrophobicContact CG2-CZ 4.03Å; L209-F217 HydrophobicContact CD1-CE2 3.83Å; L209-F217 HydrophobicContact CD1-CZ 4.19Å; L209-F217 HydrophobicContact CD2-CE2 4.18Å; L209-F217 HydrophobicContact CD2-CZ 3.86Å; F217-V304 HydrophobicContact CD1-CB 4.3Å; F217-V304 HydrophobicContact CD1-CG2 3.62Å; F217-V304 HydrophobicContact CE1-CG2 3.89Å; F217-V305 CarbonylContact C-O 3.53Å; F217-V305 WeakPolarHBondContact CA-O 3.48Å; F217-N306 HydrophobicContact CD1-CB 4.12Å; F217-I312 HydrophobicContact CE1-CD1 3.86Å |
| 218 | T | 95 | Very high | 83 | Confident | 15 Ų | 15 | 47 Ų | 47 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -36 | -166.8 | 40.4 | 0 | 0 | 0 | 0 | 113.4 | Y165 V305 T307 A331 | Y165-T218 VanDerWaalsContact CB-O 3.31Å; Y165-T218 WeakPolarHBondContact CB-O 3.23Å; T218-V305 PolarHBondContact N-O 3.28Å; T218-V305 PolarHBondContact OG1-O 2.83Å; T218-T307 HydrophobicContact CG2-CG2 3.6Å; T218-A331 WeakPolarHBondContact CB-O 3.21Å; T218-A331 PolarHBondContact OG1-O 2.95Å |
| 219 | D | 96.9 | Very high | 80 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 165 | 179.8 | -155.7 | 3 | 0 | 0 | 0 | 111.7 | N36 V304 V305 C333 I334 | N36-D219 WeakPolarHBondContact CB-OD2 3.4Å; N36-D219 PolarHBondContact ND2-OD2 2.83Å; D219-V304 WeakPolarHBondContact O-CA 3.36Å; D219-V305 HydrophobicContact CB-CG2 3.72Å; D219-V305 PolarHBondContact O-N 2.82Å; D219-V305 VanDerWaalsContact O-N 3.09Å; D219-C333 WeakPolarHBondContact OD2-CA 3.36Å; D219-I334 HydrophobicContact CB-CG2 3.93Å; D219-I334 PolarHBondContact OD2-N 2.74Å |
| 220 | V | 97.3 | Very high | 77.1 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 145.6 | -173.4 | 57 | 0 | 0 | 0 | 0 | 112.8 | A168 V177 V179 T302 L303 V304 | A168-V220 HydrophobicContact CB-CG1 4.12Å; A168-V220 HydrophobicContact CB-CG2 4.39Å; A168-V220 WeakPolarHBondContact CB-O 3.38Å; V177-V220 HydrophobicContact CB-CG2 4.06Å; V177-V220 HydrophobicContact CG1-CG2 4.01Å; V179-V220 HydrophobicContact CG1-CB 3.69Å; V179-V220 HydrophobicContact CG1-CG1 3.98Å; V179-V220 HydrophobicContact CG1-CG2 4.11Å; V179-V220 HydrophobicContact CG2-CB 4Å; V179-V220 HydrophobicContact CG2-CG1 3.84Å; V220-T302 HydrophobicContact CG2-CG2 4.07Å; V220-L303 WeakPolarHBondContact CA-O 3.28Å; V220-V304 HydrophobicContact CB-CG1 4.06Å; V220-V304 HydrophobicContact CG2-CG1 3.8Å |
| 221 | C | 95.9 | Very high | 74.2 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 170.3 | 168.5 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | L303 I334 T336 | C221-L303 PolarHBondContact N-O 2.75Å; C221-L303 PolarHBondContact O-N 2.67Å; C221-I334 HydrophobicContact CB-CG2 4.16Å; C221-I334 VanDerWaalsContact SG-CD1 3.57Å; C221-T336 HydrophobicContact CB-CG2 4.07Å; C221-T336 WeakPolarHBondContact SG-CG2 3.32Å |
| 222 | C | 93.7 | Very high | 71.5 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 141.2 | 179.5 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | F169 P171 T300 L301 | F169-C222 WeakPolarHBondContact O-CB 3.36Å; P171-C222 WeakPolarHBondContact CG-O 2.83Å; C222-T300 HydrophobicContact CB-CG2 4.02Å; C222-L301 CarbonylContact C-O 3.55Å; C222-L301 VanDerWaalsContact CA-O 3.27Å; C222-L301 WeakPolarHBondContact CA-O 3.21Å |
| 223 | V | 90.7 | Very high | 68.9 | Low | 12 Ų | 12 | 57.5 Ų | 57.5 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.9 | -173.3 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | T300 L301 L303 T336 G338 A355 | V223-T300 CarbonylContact O-C 3.59Å; V223-T300 WeakPolarHBondContact O-CA 3.23Å; V223-L301 PolarHBondContact N-O 3.38Å; V223-L301 PolarHBondContact O-N 2.8Å; V223-L303 HydrophobicContact CG2-CD1 4.47Å; V223-T336 HydrophobicContact CG2-CG2 3.42Å; V223-T336 VanDerWaalsContact CG2-CG2 3.42Å; V223-G338 WeakPolarHBondContact CG1-O 3.36Å; V223-A355 HydrophobicContact CB-CB 4.45Å; V223-A355 HydrophobicContact CG1-CB 4.21Å; V223-A355 HydrophobicContact CG2-CB 4.24Å |
| 224 | N | 84.7 | Confident | 66.2 | Low | 67 Ų | 67 | 56.5 Ų | 56.5 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.8 | 173 | -70 | -16.1 | 0 | 0 | 0 | 110.7 | T300 | N224-T300 PolarHBondContact OD1-OG1 2.87Å; N224-T300 VanDerWaalsContact OD1-OG1 3.13Å |
| 225 | S | 70.4 | Confident | 63.4 | Low | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | trans | -67.2 | 148.6 | 175.2 | 64 | 0 | 0 | 0 | 0 | 112.9 | S227 T299 | S225-S227 PolarHBondContact O-N 2.91Å; S225-S227 PolarHBondContact OG-OG 2.97Å; S225-T299 VanDerWaalsContact CB-O 3.27Å; S225-T299 WeakPolarHBondContact CB-O 3.35Å; S225-T299 WeakPolarHBondContact CB-OG1 3.17Å; S225-T299 PolarHBondContact N-O 2.64Å; S225-T299 PolarHBondContact OG-N 2.98Å; S225-T299 PolarHBondContact OG-O 2.74Å; S225-T299 VanDerWaalsContact OG-O 3.06Å; S225-T299 PolarHBondContact OG-OG1 2.88Å | ||
| 226 | S | 59.6 | Low | 60.5 | Low | 81 Ų | 81 | 64.7 Ų | 64.7 | 57% | 0.566 | 41% | 0.412 | S | S | * | . | trans | -81.8 | 31.7 | -173.2 | -27.9 | 0 | 0 | 0 | 0 | 113.4 | S228 E356 | S226-S228 PolarHBondContact O-N 2.84Å; S226-E356 VanDerWaalsContact CB-OE2 3.3Å; S226-E356 WeakPolarHBondContact CB-OE2 3.38Å; S226-E356 PolarHBondContact N-OE2 2.81Å; S226-E356 PolarHBondContact OG-OE2 2.97Å | ||
| 227 | S | 37.2 | Very low | 57.5 | Low | 71 Ų | 71 | 67.1 Ų | 67.1 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | trans | -90.9 | 23.9 | -155.6 | 49.2 | 0 | 0 | 0 | 0 | 116.9 | S225 | S225-S227 PolarHBondContact O-N 2.91Å; S225-S227 PolarHBondContact OG-OG 2.97Å | ||
| 228 | S | 29.2 | Very low | 54.3 | Low | 76 Ų | 76 | 72.6 Ų | 72.6 | 53% | 0.531 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -164 | 80.1 | 163.1 | 64.6 | 0 | 0 | 0 | 0 | 114.7 | S226 | S226-S228 PolarHBondContact O-N 2.84Š|
| 229 | L | 28.6 | Very low | 51.2 | Low | 150 Ų | 150 | 77.1 Ų | 77.1 | 79% | 0.785 | 50% | 0.501 | S | S | * | . | trans | -156.5 | 107.9 | 159.2 | -114.3 | 164.9 | 0 | 0 | 0 | 111.1 | ||||
| 230 | S | 27.8 | Very low | 47.9 | Very low | 103 Ų | 103 | 82.8 Ų | 82.8 | 72% | 0.72 | 54% | 0.54 | S | S | * | . | trans | -78.4 | 124.2 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 231 | S | 25.6 | Very low | 44.7 | Very low | 121 Ų | 121 | 89.1 Ų | 89.1 | 85% | 0.846 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 49.9 | 71.5 | 161.9 | 62 | 0 | 0 | 0 | 0 | 116.6 | ||
| 232 | S | 28.2 | Very low | 41.3 | Very low | 87 Ų | 87 | 96.8 Ų | 96.8 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | trans | -133.3 | 112.7 | 157.8 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 233 | S | 29.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 101.8 Ų | 101.8 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | trans | -61.9 | 145.3 | -178.2 | -44.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 234 | P | 31.1 | Very low | 35.2 | Very low | 99 Ų | 99 | 106.5 Ų | 106.5 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | trans | -63.4 | 148.7 | 163.2 | 29.8 | -34.5 | 0 | 0 | 0 | 109.9 | L236 | P234-L236 PolarHBondContact O-N 2.89Š| ||
| 235 | P | 28 | Very low | 32.5 | Very low | 124 Ų | 124 | 108.6 Ų | 108.6 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | trans | -79.4 | 62.9 | -174.2 | 33.6 | -37.2 | 0 | 0 | 0 | 112.9 | ||||
| 236 | L | 30.9 | Very low | 30.6 | Very low | 157 Ų | 157 | 115.9 Ų | 115.9 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -71.3 | 131.5 | 163.1 | -75.2 | 167.4 | 0 | 0 | 0 | 109.4 | P234 | P234-L236 PolarHBondContact O-N 2.89Š| ||
| 237 | S | 33 | Very low | 29.2 | Very low | 88 Ų | 88 | 118.2 Ų | 118.2 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | -72.4 | 146.6 | -171 | 52 | 0 | 0 | 0 | 0 | 113 | ||||
| 238 | S | 28.3 | Very low | 28.8 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -81.4 | 115.7 | -157.8 | 55.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 239 | S | 28.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -178 | 138.5 | 138 | 56 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 240 | C | 29.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | cis | -137.8 | 176.3 | 31.8 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 241 | T | 28.9 | Very low | 28.5 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -92.6 | 157.3 | -173.6 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 242 | L | 25.8 | Very low | 28.5 | Very low | 171 Ų | 171 | 125 Ų | 125 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -66.4 | 151.5 | -173.5 | -54.7 | 88.4 | 0 | 0 | 0 | 115.6 | ||||
| 243 | S | 28.5 | Very low | 28.5 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -148.4 | 94.9 | 139.2 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 244 | S | 26.8 | Very low | 28.2 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -14.5 | 135.1 | 156.2 | 53.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 245 | S | 28.4 | Very low | 28 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | -172.5 | 115.6 | 117 | 47.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 246 | N | 29.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 61 | 152.4 | 153.4 | -70.6 | -1.2 | 0 | 0 | 0 | 122.8 | ||||
| 247 | P | 31.7 | Very low | 27.6 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | trans | -100.4 | 154 | -173.2 | 39 | -34.3 | 0 | 0 | 0 | 114.3 | ||||
| 248 | G | 27.2 | Very low | 27.3 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -134.5 | 132.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 249 | S | 25.5 | Very low | 27.2 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -91.1 | 141.9 | -170.4 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 250 | T | 28.4 | Very low | 27.1 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -149.1 | 145.8 | 143.2 | -1.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 251 | Q | 26.3 | Very low | 27 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -92.8 | -161.9 | 174 | -64.4 | -179.8 | -19.2 | 0 | 0 | 110.2 | ||||
| 252 | I | 25.9 | Very low | 27 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | 85.9 | 129.5 | 165.9 | -50 | 166.7 | 0 | 0 | 0 | 112.8 | ||||
| 253 | H | 27.3 | Very low | 27.1 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | cis | -136.2 | 146.6 | -0.7 | -124.1 | -42.7 | 0 | 0 | 0 | 110.7 | ||||
| 254 | S | 23.3 | Very low | 27.1 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -80.8 | 122.3 | 175.4 | 39.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 255 | A | 26.6 | Very low | 27.3 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -76.8 | 138.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L257 | A255-L257 PolarHBondContact O-N 2.87Š| ||
| 256 | K | 24.7 | Very low | 27.3 | Very low | 206 Ų | 206 | 139.2 Ų | 139.2 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | trans | -78.1 | 84.9 | -161.4 | -167.4 | 171.4 | -173.6 | 171.6 | 0 | 113.7 | K258 | K256-K258 PolarHBondContact O-N 3.01Š| ||
| 257 | L | 26.8 | Very low | 27.5 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | trans | -57.4 | 131.9 | 162.9 | -83.6 | 166 | 0 | 0 | 0 | 110.1 | A255 S259 | A255-L257 PolarHBondContact O-N 2.87Å; L257-S259 PolarHBondContact O-N 2.89Å | ||
| 258 | K | 25.4 | Very low | 27.5 | Very low | 207 Ų | 207 | 140.1 Ų | 140.1 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -101.7 | 57.2 | -175.9 | -159.6 | -176.2 | -179.1 | -170.5 | 0 | 111 | K256 | K256-K258 PolarHBondContact O-N 3.01Š| ||
| 259 | S | 27.4 | Very low | 27.7 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -81.4 | 146.2 | 169.3 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | L257 | L257-S259 PolarHBondContact O-N 2.89Š| ||
| 260 | S | 26.5 | Very low | 28 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -140.1 | 70.5 | -175.6 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 261 | T | 26.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -144.9 | 127.6 | 174.2 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 262 | G | 28.9 | Very low | 28.6 | Very low | 73 Ų | 73 | 139.7 Ų | 139.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 90.7 | 137.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 263 | S | 28 | Very low | 29.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | cis | 126.7 | 103.1 | 0.2 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 264 | E | 27.9 | Very low | 29.5 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 97% | 0.967 | 77% | 0.772 | S | S | * | * | trans | 170 | 154.3 | 136.2 | -98.7 | -170.4 | -178.2 | 0 | 0 | 111.1 | ||||
| 265 | G | 30.8 | Very low | 30.2 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 123.4 | 82.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 266 | K | 28.6 | Very low | 30.7 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | 35.4 | 129 | 142.1 | -56.3 | 174.3 | -174.9 | 173.3 | 0 | 118.3 | ||||
| 267 | D | 34.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | -160.8 | 153.7 | 62.2 | -111.7 | -34.8 | 0 | 0 | 0 | 114.8 | |||||
| 268 | R | 31.6 | Very low | 31.5 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | 51.8 | 124.7 | 149.4 | -72.7 | -169 | 156.7 | 83 | 0.6 | 125.2 | ||||
| 269 | E | 30.4 | Very low | 31.6 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | 65.6 | 101.5 | 126.5 | -64.5 | 155.8 | -157.2 | 0 | 0 | 119.1 | |||||
| 270 | D | 31.3 | Very low | 32 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | 150.3 | 133.7 | 92.5 | -100.3 | 4.8 | 0 | 0 | 0 | 118.3 | |||||
| 271 | V | 34.1 | Very low | 32.1 | Very low | 105 Ų | 105 | 132 Ų | 132 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | 77 | 95.5 | 134.9 | 174.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 272 | T | 35.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 71.8 | 157 | 136.3 | 68.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 273 | N | 35.6 | Very low | 32.7 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | cis | -161.8 | 169.5 | -8.6 | -116.8 | -10.9 | 0 | 0 | 0 | 112.4 | ||||
| 274 | N | 36.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | 72.4 | 143 | 160.2 | -55.1 | -25.9 | 0 | 0 | 0 | 118.1 | ||||
| 275 | N | 37.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | cis | -156.4 | 157.7 | -9.2 | -114.6 | -20.7 | 0 | 0 | 0 | 113.8 | ||||
| 276 | S | 36.7 | Very low | 33.2 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -7.2 | 149.7 | 165 | 58.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 277 | G | 36.3 | Very low | 33.2 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | cis | 172.7 | 177 | 8.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 278 | K | 31.7 | Very low | 33.1 | Very low | 200 Ų | 200 | 126.2 Ų | 126.2 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | cis | -138 | 172.4 | 19.5 | -57.8 | 164.7 | -173.1 | 167.8 | 0 | 108.1 | ||||
| 279 | V | 28.7 | Very low | 33 | Very low | 144 Ų | 144 | 121.1 Ų | 121.1 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | cis | 89.4 | 85.6 | 15 | -170.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 280 | A | 34.4 | Very low | 33 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -159.4 | 146 | 145.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 281 | S | 28.2 | Very low | 33 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -162.7 | 179.3 | -173.8 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 282 | A | 34 | Very low | 32.7 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | 92.8 | 146.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 283 | S | 35.5 | Very low | 32.4 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | cis | -160.3 | 166.5 | -10.1 | 38.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 284 | S | 29 | Very low | 32 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -74.5 | 141.5 | -174.1 | 55.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 285 | S | 36 | Very low | 31.7 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -148.7 | 164.6 | 149.1 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 286 | S | 30.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 118.5 Ų | 118.5 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -124.7 | 158.2 | -157.1 | 54.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 287 | S | 30 | Very low | 31.6 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 84.5 | 153.6 | 170.1 | -34.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 288 | P | 32.4 | Very low | 32.5 | Very low | 129 Ų | 129 | 118 Ų | 118 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | -132.4 | 137.4 | -51.5 | 35 | -21 | 0 | 0 | 0 | 111.9 | |||||
| 289 | G | 29.2 | Very low | 34.6 | Very low | 71 Ų | 71 | 111.8 Ų | 111.8 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | -170.9 | 150.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 290 | I | 30 | Very low | 37.3 | Very low | 168 Ų | 168 | 105.4 Ų | 105.4 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | trans | 53.2 | 93.7 | 158.2 | -46 | 178.4 | 0 | 0 | 0 | 115.6 | ||||
| 291 | A | 30.3 | Very low | 40 | Very low | 104 Ų | 104 | 101.2 Ų | 101.2 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -66.5 | 136.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 292 | S | 29.4 | Very low | 43.2 | Very low | 98 Ų | 98 | 95.3 Ų | 95.3 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | trans | -77.9 | 137.4 | -167.4 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | T294 | S292-T294 PolarHBondContact O-N 3.07Š| ||
| 293 | T | 27.5 | Very low | 46.2 | Very low | 139 Ų | 139 | 90.9 Ų | 90.9 | 85% | 0.853 | 61% | 0.606 | S | S | * | * | trans | -70.9 | 90.6 | 162.9 | 21.1 | 0 | 0 | 0 | 0 | 109.9 | T295 | T293-T295 PolarHBondContact O-N 3.18Š| ||
| 294 | T | 28.1 | Very low | 49.1 | Very low | 116 Ų | 116 | 85.2 Ų | 85.2 | 71% | 0.712 | 57% | 0.566 | S | S | * | * | trans | -69.2 | 99.4 | 171.9 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | S292 T296 | S292-T294 PolarHBondContact O-N 3.07Å; T294-T296 PolarHBondContact O-N 2.83Å; T294-T296 VanDerWaalsContact O-N 3.08Å | ||
| 295 | T | 29.3 | Very low | 52.4 | Low | 126 Ų | 126 | 79.4 Ų | 79.4 | 77% | 0.773 | 53% | 0.526 | S | S | * | . | trans | -68.5 | 100.6 | 173.1 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | T293 T297 | T293-T295 PolarHBondContact O-N 3.18Å; T295-T297 PolarHBondContact O-N 2.83Å; T295-T297 VanDerWaalsContact O-N 3.13Å | ||
| 296 | T | 31.3 | Very low | 55.2 | Low | 100 Ų | 100 | 73.4 Ų | 73.4 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | trans | -69.7 | 105 | 173.9 | 39.2 | 0 | 0 | 0 | 0 | 110.4 | T294 S298 | T294-T296 PolarHBondContact O-N 2.83Å; T294-T296 VanDerWaalsContact O-N 3.08Å; T296-S298 PolarHBondContact O-N 2.93Å | ||
| 297 | T | 42.3 | Very low | 58.3 | Low | 118 Ų | 118 | 70.8 Ų | 70.8 | 72% | 0.724 | 46% | 0.463 | S | S | * | . | trans | -73.5 | 89.4 | 176.2 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | T295 T299 | T295-T297 PolarHBondContact O-N 2.83Å; T295-T297 VanDerWaalsContact O-N 3.13Å; T297-T299 PolarHBondContact O-N 2.88Å | ||
| 298 | S | 54.2 | Low | 61.3 | Low | 60 Ų | 60 | 68 Ų | 68 | 42% | 0.42 | 45% | 0.447 | S | S | . | . | trans | -56.5 | 124.1 | 171.6 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | T296 | T296-S298 PolarHBondContact O-N 2.93Š| ||
| 299 | T | 75.8 | Confident | 64.3 | Low | 71 Ų | 71 | 61.8 Ų | 61.8 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | trans | -91.6 | 113 | -177.4 | 40.9 | 0 | 0 | 0 | 0 | 110.4 | S225 T297 L301 | S225-T299 VanDerWaalsContact CB-O 3.27Å; S225-T299 WeakPolarHBondContact CB-O 3.35Å; S225-T299 WeakPolarHBondContact CB-OG1 3.17Å; S225-T299 PolarHBondContact N-O 2.64Å; S225-T299 PolarHBondContact OG-N 2.98Å; S225-T299 PolarHBondContact OG-O 2.74Å; S225-T299 VanDerWaalsContact OG-O 3.06Å; S225-T299 PolarHBondContact OG-OG1 2.88Å; T297-T299 PolarHBondContact O-N 2.88Å; T299-L301 PolarHBondContact O-N 2.88Å | ||
| 300 | T | 86.3 | Confident | 67.5 | Low | 10 Ų | 10 | 62.4 Ų | 62.4 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 124.1 | 172 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | F175 C222 V223 N224 | F175-T300 HydrophobicContact CZ-CG2 4Å; C222-T300 HydrophobicContact CB-CG2 4.02Å; V223-T300 CarbonylContact O-C 3.59Å; V223-T300 WeakPolarHBondContact O-CA 3.23Å; N224-T300 PolarHBondContact OD1-OG1 2.87Å; N224-T300 VanDerWaalsContact OD1-OG1 3.13Å |
| 301 | L | 90.5 | Very high | 70.7 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 141.8 | 169.2 | -55.6 | 179.5 | 0 | 0 | 0 | 109.5 | C222 V223 T299 E356 | C222-L301 CarbonylContact C-O 3.55Å; C222-L301 VanDerWaalsContact CA-O 3.27Å; C222-L301 WeakPolarHBondContact CA-O 3.21Å; V223-L301 PolarHBondContact N-O 3.38Å; V223-L301 PolarHBondContact O-N 2.8Å; T299-L301 PolarHBondContact O-N 2.88Å; L301-E356 HydrophobicContact CD1-CB 4.08Å; L301-E356 HydrophobicContact CD1-CG 4.19Å |
| 302 | T | 95.3 | Very high | 73.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.2 | 172.1 | -62.5 | 0 | 0 | 0 | 0 | 109 | V177 F186 V220 V304 Q313 F314 | V177-T302 HydrophobicContact CB-CG2 4.35Å; V177-T302 HydrophobicContact CG1-CG2 4.12Å; V177-T302 HydrophobicContact CG2-CG2 3.92Å; F186-T302 HydrophobicContact CE1-CG2 4.35Å; F186-T302 WeakPolarHBondContact CE1-OG1 3.34Å; F186-T302 HydrophobicContact CZ-CG2 4.02Å; V220-T302 HydrophobicContact CG2-CG2 4.07Å; T302-V304 HydrophobicContact CG2-CG1 4.34Å; T302-Q313 WeakPolarHBondContact O-CA 3.43Å; T302-F314 PolarHBondContact N-O 2.88Å; T302-F314 VanDerWaalsContact N-O 3.07Å; T302-F314 PolarHBondContact O-N 2.9Å |
| 303 | L | 96.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.9 | -179.9 | -59.2 | 179.5 | 0 | 0 | 0 | 109.7 | V220 C221 V223 L311 I312 Q313 I334 T336 V341 A355 L358 | V220-L303 WeakPolarHBondContact CA-O 3.28Å; C221-L303 PolarHBondContact N-O 2.75Å; C221-L303 PolarHBondContact O-N 2.67Å; V223-L303 HydrophobicContact CG2-CD1 4.47Å; L303-L311 HydrophobicContact CB-CD1 4.36Å; L303-I312 CarbonylContact C-O 3.55Å; L303-I312 WeakPolarHBondContact CA-O 3.38Å; L303-Q313 HydrophobicContact CD2-CB 3.67Å; L303-Q313 HydrophobicContact CD2-CG 3.97Å; L303-I334 HydrophobicContact CB-CD1 4.08Å; L303-T336 HydrophobicContact CD1-CG2 4.4Å; L303-V341 HydrophobicContact CD1-CB 3.94Å; L303-V341 HydrophobicContact CD1-CG1 3.97Å; L303-V341 HydrophobicContact CD1-CG2 3.89Å; L303-A355 HydrophobicContact CD1-CB 4.02Å; L303-L358 HydrophobicContact CD2-CD2 3.92Å |
| 304 | V | 97.4 | Very high | 80 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155.5 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | V179 V184 F217 D219 V220 T302 I312 F314 | V179-V304 HydrophobicContact CG1-CG1 3.81Å; V184-V304 HydrophobicContact CG1-CG1 4.29Å; V184-V304 HydrophobicContact CG2-CG1 4.24Å; V184-V304 HydrophobicContact CG2-CG2 4.37Å; F217-V304 HydrophobicContact CD1-CB 4.3Å; F217-V304 HydrophobicContact CD1-CG2 3.62Å; F217-V304 HydrophobicContact CE1-CG2 3.89Å; D219-V304 WeakPolarHBondContact O-CA 3.36Å; V220-V304 HydrophobicContact CB-CG1 4.06Å; V220-V304 HydrophobicContact CG2-CG1 3.8Å; T302-V304 HydrophobicContact CG2-CG1 4.34Å; V304-I312 HydrophobicContact CG2-CB 3.8Å; V304-I312 HydrophobicContact CG2-CD1 4.35Å; V304-I312 HydrophobicContact CG2-CG2 4.27Å; V304-I312 PolarHBondContact N-O 2.88Å; V304-I312 PolarHBondContact O-N 3.46Å; V304-F314 HydrophobicContact CG1-CD2 4.5Å; V304-F314 HydrophobicContact CG1-CE2 4.48Å; V304-F314 HydrophobicContact CG2-CD2 4.32Å; V304-F314 HydrophobicContact CG2-CE2 3.75Å |
| 305 | V | 97.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 157.5 | 171.5 | -79.5 | 0 | 0 | 0 | 0 | 111.5 | F217 T218 D219 R310 L311 A331 I334 V343 | F217-V305 CarbonylContact C-O 3.53Å; F217-V305 WeakPolarHBondContact CA-O 3.48Å; T218-V305 PolarHBondContact N-O 3.28Å; T218-V305 PolarHBondContact OG1-O 2.83Å; D219-V305 HydrophobicContact CB-CG2 3.72Å; D219-V305 PolarHBondContact O-N 2.82Å; D219-V305 VanDerWaalsContact O-N 3.09Å; V305-R310 WeakPolarHBondContact CA-O 3.43Å; V305-L311 HydrophobicContact CG1-CB 4.46Å; V305-L311 HydrophobicContact CG1-CD1 4.09Å; V305-A331 HydrophobicContact CB-CB 3.74Å; V305-A331 HydrophobicContact CG1-CB 3.93Å; V305-I334 HydrophobicContact CG1-CD1 4.12Å; V305-I334 HydrophobicContact CG2-CB 4.15Å; V305-I334 HydrophobicContact CG2-CG2 4.45Å; V305-V343 HydrophobicContact CG1-CG1 3.76Å; V305-V343 HydrophobicContact CG1-CG2 4.12Å |
| 306 | N | 95.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 167.2 | -177.7 | 78.5 | 4.7 | 0 | 0 | 0 | 114.3 | V216 F217 A308 G309 R310 A331 | V216-N306 VanDerWaalsContact O-CA 3.29Å; V216-N306 WeakPolarHBondContact O-CA 3.21Å; V216-N306 VanDerWaalsContact O-CB 3.31Å; V216-N306 WeakPolarHBondContact O-CB 3.37Å; F217-N306 HydrophobicContact CD1-CB 4.12Å; N306-A308 PolarHBondContact O-N 3.19Å; N306-A308 WeakPolarHBondContact OD1-CA 3.31Å; N306-A308 PolarHBondContact OD1-N 3.06Å; N306-G309 PolarHBondContact O-N 2.68Å; N306-G309 PolarHBondContact OD1-N 3.43Å; N306-R310 PolarHBondContact N-O 2.65Å; N306-R310 PolarHBondContact OD1-N 3.21Å; N306-A331 PolarHBondContact O-N 2.74Å |
| 307 | T | 95.4 | Very high | 87.5 | Confident | 53 Ų | 53 | 32.7 Ų | 32.7 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -2.5 | 177.6 | 59 | 0 | 0 | 0 | 0 | 114.8 | V216 T218 | V216-T307 HydrophobicContact CB-CG2 3.77Å; V216-T307 HydrophobicContact CG1-CG2 3.91Å; V216-T307 PolarHBondContact O-N 2.99Å; T218-T307 HydrophobicContact CG2-CG2 3.6Å |
| 308 | A | 93.9 | Very high | 89.9 | Confident | 51 Ų | 51 | 29.5 Ų | 29.5 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 21.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N306 | N306-A308 PolarHBondContact O-N 3.19Å; N306-A308 WeakPolarHBondContact OD1-CA 3.31Å; N306-A308 PolarHBondContact OD1-N 3.06Å |
| 309 | G | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 69.8 | 33.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N306 L326 | N306-G309 PolarHBondContact O-N 2.68Å; N306-G309 PolarHBondContact OD1-N 3.43Å; G309-L326 WeakPolarHBondContact O-CB 3.25Å; G309-L326 WeakPolarHBondContact O-CG 3.48Å; G309-L326 PolarHBondContact O-N 2.95Å |
| 310 | R | 96 | Very high | 92.2 | Very high | 83 Ų | 83 | 28 Ų | 28 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139 | -179.6 | -56.7 | 179.6 | -171.1 | 169.3 | 1.3 | 112.6 | V305 N306 I312 W323 V324 | V305-R310 WeakPolarHBondContact CA-O 3.43Å; N306-R310 PolarHBondContact N-O 2.65Å; N306-R310 PolarHBondContact OD1-N 3.21Å; R310-I312 HydrophobicContact CB-CD1 4.16Å; R310-I312 HydrophobicContact CB-CG1 4.08Å; R310-W323 HydrophobicContact CG-CE3 4.26Å; R310-W323 HydrophobicContact CG-CZ3 4.37Å; R310-V324 VanDerWaalsContact CA-O 3.32Å; R310-V324 WeakPolarHBondContact CA-O 3.4Å |
| 311 | L | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.8 | 163.1 | 172.7 | 62.1 | 0 | 0 | 0 | 108.1 | L303 V305 W323 V324 L326 I334 V341 V343 F353 L358 | L303-L311 HydrophobicContact CB-CD1 4.36Å; V305-L311 HydrophobicContact CG1-CB 4.46Å; V305-L311 HydrophobicContact CG1-CD1 4.09Å; L311-W323 CarbonylContact O-C 3.59Å; L311-W323 WeakPolarHBondContact O-CA 3.28Å; L311-W323 WeakPolarHBondContact O-CB 3.25Å; L311-V324 PolarHBondContact N-O 3.19Å; L311-V324 PolarHBondContact O-N 2.78Å; L311-L326 HydrophobicContact CB-CD1 4.22Å; L311-L326 HydrophobicContact CB-CD2 3.84Å; L311-L326 HydrophobicContact CB-CG 4.26Å; L311-I334 HydrophobicContact CD1-CD1 3.58Å; L311-V341 HydrophobicContact CD2-CG1 4.33Å; L311-V343 HydrophobicContact CD1-CG2 4.23Å; L311-V343 HydrophobicContact CD2-CG2 4.24Å; L311-F353 HydrophobicContact CD2-CD2 3.92Å; L311-F353 HydrophobicContact CD2-CE2 4.24Å; L311-F353 HydrophobicContact CD2-CG 4.14Å; L311-L358 HydrophobicContact CD2-CD2 4.12Å; L311-L358 HydrophobicContact CG-CD2 4.41Å |
| 312 | I | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.7 | -169.2 | -59.5 | 154.8 | 0 | 0 | 0 | 109.5 | M212 F217 L303 V304 R310 F314 L320 W323 | M212-I312 HydrophobicContact CE-CD1 4.37Å; M212-I312 HydrophobicContact CE-CG1 4.34Å; M212-I312 HydrophobicContact SD-CD1 3.44Å; M212-I312 WeakPolarHBondContact SD-CD1 3.42Å; M212-I312 HydrophobicContact SD-CG1 4.02Å; F217-I312 HydrophobicContact CE1-CD1 3.86Å; L303-I312 CarbonylContact C-O 3.55Å; L303-I312 WeakPolarHBondContact CA-O 3.38Å; V304-I312 HydrophobicContact CG2-CB 3.8Å; V304-I312 HydrophobicContact CG2-CD1 4.35Å; V304-I312 HydrophobicContact CG2-CG2 4.27Å; V304-I312 PolarHBondContact N-O 2.88Å; V304-I312 PolarHBondContact O-N 3.46Å; R310-I312 HydrophobicContact CB-CD1 4.16Å; R310-I312 HydrophobicContact CB-CG1 4.08Å; I312-F314 HydrophobicContact CG2-CD2 4.3Å; I312-F314 HydrophobicContact CG2-CE2 3.7Å; I312-F314 HydrophobicContact CG2-CZ 4.05Å; I312-L320 HydrophobicContact CG2-CD1 3.72Å; I312-L320 HydrophobicContact CG2-CD2 4.22Å; I312-L320 HydrophobicContact CG2-CG 3.68Å; I312-W323 HydrophobicContact CB-CB 4.3Å; I312-W323 HydrophobicContact CG1-CB 3.89Å; I312-W323 HydrophobicContact CG2-CB 4.4Å |
| 313 | Q | 94.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.2 | -179.7 | 173.1 | 171.4 | -37.2 | 0 | 0 | 110.7 | T302 L303 D321 K322 A355 L358 | T302-Q313 WeakPolarHBondContact O-CA 3.43Å; L303-Q313 HydrophobicContact CD2-CB 3.67Å; L303-Q313 HydrophobicContact CD2-CG 3.97Å; Q313-D321 HydrophobicContact CG-CB 4.42Å; Q313-D321 PolarHBondContact NE2-OD2 2.54Å; Q313-D321 PolarHBondContact O-N 3.12Å; Q313-K322 HydrophobicContact CB-CB 4.12Å; Q313-K322 PolarHBondContact N-O 3.2Å; Q313-K322 PolarHBondContact O-N 2.92Å; Q313-A355 PolarHBondContact OE1-O 2.75Å; Q313-L358 HydrophobicContact CB-CD1 4.03Å |
| 314 | F | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.7 | 168.4 | -66.4 | -88.5 | 0 | 0 | 0 | 110.5 | V184 F186 A207 L209 T302 V304 I312 D319 L320 | V184-F314 HydrophobicContact CB-CE2 4.5Å; V184-F314 HydrophobicContact CG1-CE2 4.4Å; V184-F314 HydrophobicContact CG2-CE2 4.07Å; V184-F314 HydrophobicContact CG2-CZ 4.33Å; F186-F314 HydrophobicContact CZ-CB 4.16Å; A207-F314 HydrophobicContact CB-CD1 3.85Å; A207-F314 HydrophobicContact CB-CE1 3.63Å; A207-F314 HydrophobicContact CB-CZ 4.15Å; L209-F314 HydrophobicContact CD2-CE1 4Å; L209-F314 HydrophobicContact CD2-CZ 3.59Å; T302-F314 PolarHBondContact N-O 2.88Å; T302-F314 VanDerWaalsContact N-O 3.07Å; T302-F314 PolarHBondContact O-N 2.9Å; V304-F314 HydrophobicContact CG1-CD2 4.5Å; V304-F314 HydrophobicContact CG1-CE2 4.48Å; V304-F314 HydrophobicContact CG2-CD2 4.32Å; V304-F314 HydrophobicContact CG2-CE2 3.75Å; I312-F314 HydrophobicContact CG2-CD2 4.3Å; I312-F314 HydrophobicContact CG2-CE2 3.7Å; I312-F314 HydrophobicContact CG2-CZ 4.05Å; F314-D319 VanDerWaalsContact CA-O 3.27Å; F314-D319 WeakPolarHBondContact CA-O 3.39Å; F314-L320 HydrophobicContact CD1-CB 4.18Å; F314-L320 HydrophobicContact CE1-CB 3.78Å; F314-L320 HydrophobicContact CE1-CD1 4.47Å; F314-L320 HydrophobicContact CE1-CG 4.2Å; F314-L320 HydrophobicContact CZ-CB 4.42Å; F314-L320 HydrophobicContact CZ-CD1 4.34Å; F314-L320 HydrophobicContact CZ-CG 4.36Å |
| 315 | N | 84.8 | Confident | 92.2 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 19% | 0.193 | 24% | 0.236 | C | C | . | . | trans | -81.3 | 177.3 | 175.4 | 69.2 | 19.6 | 0 | 0 | 0 | 112.1 | Q317 R318 D319 D321 | N315-Q317 PolarHBondContact O-N 3.26Å; N315-Q317 VanDerWaalsContact O-N 3.16Å; N315-Q317 WeakPolarHBondContact OD1-CA 3.25Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.39Å; N315-Q317 PolarHBondContact OD1-N 3.07Å; N315-R318 WeakPolarHBondContact O-CA 3.29Å; N315-R318 PolarHBondContact O-N 2.83Å; N315-R318 PolarHBondContact OD1-N 3.07Å; N315-R318 VanDerWaalsContact OD1-N 3.15Å; N315-D319 PolarHBondContact N-O 2.73Å; N315-D319 PolarHBondContact OD1-N 2.99Å; N315-D319 PolarHBondContact OD1-O 2.8Å; N315-D321 HydrophobicContact CB-CB 4.1Å | ||
| 316 | G | 78.7 | Confident | 92.1 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 55% | 0.546 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R318 | G316-R318 VanDerWaalsContact C-N 3.31Š|
| 317 | Q | 83 | Confident | 91.9 | Very high | 136 Ų | 136 | 53.6 Ų | 53.6 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.1 | 173.2 | -65 | 176.6 | -28.6 | 0 | 0 | 112.3 | N315 D319 | N315-Q317 PolarHBondContact O-N 3.26Å; N315-Q317 VanDerWaalsContact O-N 3.16Å; N315-Q317 WeakPolarHBondContact OD1-CA 3.25Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.39Å; N315-Q317 PolarHBondContact OD1-N 3.07Å; Q317-D319 VanDerWaalsContact CB-OD2 3.31Å; Q317-D319 WeakPolarHBondContact CB-OD2 3.47Å |
| 318 | R | 91.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 52 Ų | 52 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 73.7 | 20.1 | -172.3 | -44.9 | 169.5 | -60.5 | -60 | -24.8 | 114.1 | F186 Y188 A207 I208 N315 G316 | F186-R318 HydrophobicContact CB-CG 4.36Å; F186-R318 HydrophobicContact CD1-CG 3.94Å; F186-R318 HydrophobicContact CD2-CB 3.96Å; F186-R318 HydrophobicContact CD2-CG 3.53Å; F186-R318 HydrophobicContact CE1-CG 4.08Å; F186-R318 HydrophobicContact CE2-CB 3.74Å; F186-R318 HydrophobicContact CE2-CG 3.69Å; F186-R318 HydrophobicContact CG-CG 3.69Å; F186-R318 HydrophobicContact CZ-CB 4.18Å; F186-R318 HydrophobicContact CZ-CG 3.96Å; Y188-R318 PolarHBondContact OH-NH1 2.99Å; A207-R318 WeakPolarHBondContact CA-O 3.38Å; I208-R318 PolarHBondContact N-O 3.01Å; N315-R318 WeakPolarHBondContact O-CA 3.29Å; N315-R318 PolarHBondContact O-N 2.83Å; N315-R318 PolarHBondContact OD1-N 3.07Å; N315-R318 VanDerWaalsContact OD1-N 3.15Å; G316-R318 VanDerWaalsContact C-N 3.31Å |
| 319 | D | 88.6 | Confident | 91.3 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -89 | 147.9 | 172.2 | -62.4 | -64 | 0 | 0 | 0 | 110.6 | I208 F314 N315 Q317 D321 | I208-D319 WeakPolarHBondContact CB-OD1 3.49Å; I208-D319 WeakPolarHBondContact CD1-OD1 3.48Å; F314-D319 VanDerWaalsContact CA-O 3.27Å; F314-D319 WeakPolarHBondContact CA-O 3.39Å; N315-D319 PolarHBondContact N-O 2.73Å; N315-D319 PolarHBondContact OD1-N 2.99Å; N315-D319 PolarHBondContact OD1-O 2.8Å; Q317-D319 VanDerWaalsContact CB-OD2 3.31Å; Q317-D319 WeakPolarHBondContact CB-OD2 3.47Å; D319-D321 PolarHBondContact O-N 2.81Å |
| 320 | L | 91.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 112 | 175.1 | -163.2 | 163.8 | 0 | 0 | 0 | 108.9 | M212 I312 F314 W323 | M212-L320 HydrophobicContact CE-CD1 3.83Å; M212-L320 HydrophobicContact CG-CD1 4.18Å; M212-L320 HydrophobicContact SD-CD1 3.9Å; I312-L320 HydrophobicContact CG2-CD1 3.72Å; I312-L320 HydrophobicContact CG2-CD2 4.22Å; I312-L320 HydrophobicContact CG2-CG 3.68Å; F314-L320 HydrophobicContact CD1-CB 4.18Å; F314-L320 HydrophobicContact CE1-CB 3.78Å; F314-L320 HydrophobicContact CE1-CD1 4.47Å; F314-L320 HydrophobicContact CE1-CG 4.2Å; F314-L320 HydrophobicContact CZ-CB 4.42Å; F314-L320 HydrophobicContact CZ-CD1 4.34Å; F314-L320 HydrophobicContact CZ-CG 4.36Å; L320-W323 HydrophobicContact CD2-CB 4.43Å; L320-W323 HydrophobicContact CD2-CG 4.44Å |
| 321 | D | 89 | Confident | 91.1 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -52.4 | -172.2 | 172 | 43.6 | 0 | 0 | 0 | 111.4 | Q313 N315 D319 | Q313-D321 HydrophobicContact CG-CB 4.42Å; Q313-D321 PolarHBondContact NE2-OD2 2.54Å; Q313-D321 PolarHBondContact O-N 3.12Å; N315-D321 HydrophobicContact CB-CB 4.1Å; D319-D321 PolarHBondContact O-N 2.81Å |
| 322 | K | 92 | Very high | 91 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.2 | -179.6 | -53.2 | 176.2 | -163.4 | 178.9 | 0 | 110.4 | Q313 E356 L358 | Q313-K322 HydrophobicContact CB-CB 4.12Å; Q313-K322 PolarHBondContact N-O 3.2Å; Q313-K322 PolarHBondContact O-N 2.92Å; K322-E356 PolarHBondContact NZ-O 2.79Å; K322-L358 HydrophobicContact CB-CD1 3.68Å; K322-L358 HydrophobicContact CB-CG 4.35Å |
| 323 | W | 94.3 | Very high | 91 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 48% | 0.477 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 155.4 | 168 | 64.8 | -81.5 | 0 | 0 | 0 | 110.8 | M212 R310 L311 I312 L320 D325 | M212-W323 HydrophobicContact CE-CB 4.25Å; M212-W323 HydrophobicContact CE-CD2 3.84Å; M212-W323 HydrophobicContact CE-CE3 4.38Å; M212-W323 HydrophobicContact CE-CG 3.75Å; R310-W323 HydrophobicContact CG-CE3 4.26Å; R310-W323 HydrophobicContact CG-CZ3 4.37Å; L311-W323 CarbonylContact O-C 3.59Å; L311-W323 WeakPolarHBondContact O-CA 3.28Å; L311-W323 WeakPolarHBondContact O-CB 3.25Å; I312-W323 HydrophobicContact CB-CB 4.3Å; I312-W323 HydrophobicContact CG1-CB 3.89Å; I312-W323 HydrophobicContact CG2-CB 4.4Å; L320-W323 HydrophobicContact CD2-CB 4.43Å; L320-W323 HydrophobicContact CD2-CG 4.44Å; W323-D325 HydrophobicContact CZ3-CB 4.12Å |
| 324 | V | 95.7 | Very high | 91.2 | Very high | 42 Ų | 42 | 53 Ų | 53 | 26% | 0.255 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.6 | 178.4 | 177 | 0 | 0 | 0 | 0 | 109.1 | R310 L311 F353 L358 | R310-V324 VanDerWaalsContact CA-O 3.32Å; R310-V324 WeakPolarHBondContact CA-O 3.4Å; L311-V324 PolarHBondContact N-O 3.19Å; L311-V324 PolarHBondContact O-N 2.78Å; V324-F353 HydrophobicContact CG1-CE1 4.15Å; V324-L358 HydrophobicContact CG2-CB 3.68Å; V324-L358 HydrophobicContact CG2-CD1 4.07Å |
| 325 | D | 94.6 | Very high | 91.3 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 116.2 | 166.7 | 176.6 | -5.2 | 0 | 0 | 0 | 109 | W323 K327 | W323-D325 HydrophobicContact CZ3-CB 4.12Å; D325-K327 VanDerWaalsContact C-N 3.27Å; D325-K327 PolarHBondContact O-N 3.45Å; D325-K327 PolarHBondContact OD1-N 3.34Å; D325-K327 IonicContact OD1-NZ 3.56Å; D325-K327 WeakPolarHBondContact OD2-CE 3.46Å; D325-K327 IonicContact OD2-NZ 3.82Å; D325-K327 PolarHBondContact OD2-NZ 2.84Å |
| 326 | L | 94.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | trans | -80.2 | -5.5 | -173.6 | -56.8 | 172.3 | 0 | 0 | 0 | 113.3 | G309 L311 T328 A331 V343 L351 F353 | G309-L326 WeakPolarHBondContact O-CB 3.25Å; G309-L326 WeakPolarHBondContact O-CG 3.48Å; G309-L326 PolarHBondContact O-N 2.95Å; L311-L326 HydrophobicContact CB-CD1 4.22Å; L311-L326 HydrophobicContact CB-CD2 3.84Å; L311-L326 HydrophobicContact CB-CG 4.26Å; L326-T328 PolarHBondContact O-N 2.71Å; L326-A331 HydrophobicContact CD1-CB 3.85Å; L326-V343 HydrophobicContact CD1-CG1 3.84Å; L326-L351 HydrophobicContact CB-CD1 3.91Å; L326-L351 HydrophobicContact CD2-CD1 3.97Å; L326-L351 HydrophobicContact CG-CD1 4.45Å; L326-F353 HydrophobicContact CD2-CE1 4.34Å; L326-F353 HydrophobicContact CD2-CE2 3.6Å; L326-F353 HydrophobicContact CD2-CZ 3.34Å | ||
| 327 | K | 92 | Very high | 92.1 | Very high | 167 Ų | 167 | 52 Ų | 52 | 73% | 0.726 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 58.4 | 30.7 | -178.2 | -49.2 | -59.4 | 173.3 | -175.4 | 0 | 114.1 | D325 | D325-K327 VanDerWaalsContact C-N 3.27Å; D325-K327 PolarHBondContact O-N 3.45Å; D325-K327 PolarHBondContact OD1-N 3.34Å; D325-K327 IonicContact OD1-NZ 3.56Å; D325-K327 WeakPolarHBondContact OD2-CE 3.46Å; D325-K327 IonicContact OD2-NZ 3.82Å; D325-K327 PolarHBondContact OD2-NZ 2.84Å |
| 328 | T | 88.9 | Confident | 92 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -118.9 | 157.6 | 172.9 | 57.1 | 0 | 0 | 0 | 0 | 110 | L326 R330 C345 V349 | L326-T328 PolarHBondContact O-N 2.71Å; T328-R330 PolarHBondContact O-N 3.24Å; T328-C345 HydrophobicContact CG2-CB 3.69Å; T328-C345 PolarHBondContact OG1-SG 2.96Å; T328-C345 VanDerWaalsContact OG1-SG 3.35Å; T328-V349 HydrophobicContact CG2-CB 3.88Å; T328-V349 HydrophobicContact CG2-CG1 3.67Å; T328-V349 HydrophobicContact CG2-CG2 4.21Å |
| 329 | S | 88.1 | Confident | 91.7 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -63.7 | -32.6 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | T346 S1468 | S329-T346 WeakPolarHBondContact OG-CB 3.11Å; S329-T346 PolarHBondContact OG-OG1 3.03Å; S329-S1468 VanDerWaalsContact OG-CB 3.29Å; S329-S1468 WeakPolarHBondContact OG-CB 3.32Å; S329-S1468 PolarHBondContact OG-OG 3.29Å |
| 330 | R | 91 | Very high | 91.9 | Very high | 72 Ų | 72 | 49 Ų | 49 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | trans | -161.7 | 146.2 | 179.2 | 157.4 | 167.1 | 166.3 | -158.8 | -17.1 | 112 | T328 N332 C345 T346 N1466 | T328-R330 PolarHBondContact O-N 3.24Å; R330-N332 PolarHBondContact NE-OD1 2.81Å; R330-N332 PolarHBondContact NH2-OD1 3.38Å; R330-N332 VanDerWaalsContact NH2-OD1 3.1Å; R330-C345 WeakPolarHBondContact O-CA 3.4Å; R330-C345 WeakPolarHBondContact O-CB 3.46Å; R330-T346 HydrophobicContact CB-CG2 3.81Å; R330-T346 HydrophobicContact CG-CG2 4.17Å; R330-T346 PolarHBondContact N-OG1 2.6Å; R330-T346 PolarHBondContact O-N 2.91Å; R330-T346 PolarHBondContact O-OG1 3.34Å; R330-N1466 PolarHBondContact NH1-OD1 3.04Å; R330-N1466 PolarHBondContact NH2-OD1 3Å | ||
| 331 | A | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T218 V305 N306 L326 V343 | T218-A331 WeakPolarHBondContact CB-O 3.21Å; T218-A331 PolarHBondContact OG1-O 2.95Å; V305-A331 HydrophobicContact CB-CB 3.74Å; V305-A331 HydrophobicContact CG1-CB 3.93Å; N306-A331 PolarHBondContact O-N 2.74Å; L326-A331 HydrophobicContact CD1-CB 3.85Å; A331-V343 HydrophobicContact CB-CG1 3.95Å |
| 332 | N | 94.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -39 | -171.5 | -77 | -34.2 | 0 | 0 | 0 | 113.5 | R330 G344 I395 | R330-N332 PolarHBondContact NE-OD1 2.81Å; R330-N332 PolarHBondContact NH2-OD1 3.38Å; R330-N332 VanDerWaalsContact NH2-OD1 3.1Å; N332-G344 PolarHBondContact N-O 3.35Å; N332-I395 WeakPolarHBondContact CB-O 3.47Å; N332-I395 PolarHBondContact ND2-O 2.84Å; N332-I395 VanDerWaalsContact ND2-O 3.16Å |
| 333 | C | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158.3 | -174 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | N36 D219 G344 I398 | N36-C333 HydrophobicContact CB-CB 3.74Å; D219-C333 WeakPolarHBondContact OD2-CA 3.36Å; C333-G344 PolarHBondContact N-O 3.21Å; C333-G344 PolarHBondContact O-N 3.21Å; C333-I398 HydrophobicContact CB-CG2 4.23Å |
| 334 | I | 97.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.3 | -178 | -162.3 | 166.2 | 0 | 0 | 0 | 111.6 | N36 D219 C221 L303 V305 L311 V341 T342 V343 | N36-I334 PolarHBondContact ND2-O 2.86Å; D219-I334 HydrophobicContact CB-CG2 3.93Å; D219-I334 PolarHBondContact OD2-N 2.74Å; C221-I334 HydrophobicContact CB-CG2 4.16Å; C221-I334 VanDerWaalsContact SG-CD1 3.57Å; L303-I334 HydrophobicContact CB-CD1 4.08Å; V305-I334 HydrophobicContact CG1-CD1 4.12Å; V305-I334 HydrophobicContact CG2-CB 4.15Å; V305-I334 HydrophobicContact CG2-CG2 4.45Å; L311-I334 HydrophobicContact CD1-CD1 3.58Å; I334-V341 HydrophobicContact CD1-CG2 3.67Å; I334-V341 HydrophobicContact CG1-CG2 3.56Å; I334-T342 WeakPolarHBondContact CA-O 3.14Å; I334-V343 HydrophobicContact CD1-CG2 4.27Å; I334-V343 HydrophobicContact CG1-CG2 4.15Å |
| 335 | S | 96.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 145.5 | 172.4 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | V341 T342 I398 L400 | S335-V341 CarbonylContact O-C 3.34Å; S335-V341 WeakPolarHBondContact O-CA 3.35Å; S335-T342 PolarHBondContact N-O 2.96Å; S335-T342 PolarHBondContact O-N 3.43Å; S335-I398 WeakPolarHBondContact CB-O 3.3Å; S335-L400 PolarHBondContact OG-N 3.04Å |
| 336 | T | 93.2 | Very high | 92.6 | Very high | 38 Ų | 38 | 28.4 Ų | 28.4 | 23% | 0.233 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.1 | -176.9 | 42.1 | 0 | 0 | 0 | 0 | 110.4 | C221 V223 L303 W340 V341 | C221-T336 HydrophobicContact CB-CG2 4.07Å; C221-T336 WeakPolarHBondContact SG-CG2 3.32Å; V223-T336 HydrophobicContact CG2-CG2 3.42Å; V223-T336 VanDerWaalsContact CG2-CG2 3.42Å; L303-T336 HydrophobicContact CD1-CG2 4.4Å; T336-W340 WeakPolarHBondContact CA-O 3.43Å; T336-V341 HydrophobicContact CG2-CB 3.71Å; T336-V341 HydrophobicContact CG2-CG2 3.61Å |
| 337 | S | 86.3 | Confident | 92.2 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 130.2 | 170.7 | -159.3 | 0 | 0 | 0 | 0 | 109 | S339 W340 L400 C402 | S337-S339 PolarHBondContact O-N 3.01Å; S337-W340 PolarHBondContact N-O 3.2Å; S337-W340 VanDerWaalsContact N-O 3.09Å; S337-W340 PolarHBondContact O-N 3.48Å; S337-L400 WeakPolarHBondContact CB-O 3.18Å; S337-C402 PolarHBondContact OG-SG 3.03Å |
| 338 | G | 80.3 | Confident | 92 | Very high | 59 Ų | 59 | 22.5 Ų | 22.5 | 61% | 0.608 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -133.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V223 W340 | V223-G338 WeakPolarHBondContact CG1-O 3.36Å; G338-W340 VanDerWaalsContact C-N 3.34Å |
| 339 | S | 86 | Confident | 92.3 | Very high | 49 Ų | 49 | 22.2 Ų | 22.2 | 34% | 0.343 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 6.4 | 175.3 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | S337 A355 | S337-S339 PolarHBondContact O-N 3.01Å; S339-A355 VanDerWaalsContact O-CB 3.26Å; S339-A355 WeakPolarHBondContact O-CB 3.18Å; S339-A355 PolarHBondContact O-N 2.84Å |
| 340 | W | 91.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 19.5 Ų | 19.5 | 24% | 0.242 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.3 | -176 | -68.1 | -0.7 | 0 | 0 | 0 | 112 | T336 S337 G338 L352 I361 L400 I421 L424 | T336-W340 WeakPolarHBondContact CA-O 3.43Å; S337-W340 PolarHBondContact N-O 3.2Å; S337-W340 VanDerWaalsContact N-O 3.09Å; S337-W340 PolarHBondContact O-N 3.48Å; G338-W340 VanDerWaalsContact C-N 3.34Å; W340-L352 HydrophobicContact CB-CD1 4.29Å; W340-L352 HydrophobicContact CE3-CD1 4.47Å; W340-L352 HydrophobicContact CE3-CD2 4.33Å; W340-I361 HydrophobicContact CG-CD1 4.37Å; W340-L400 HydrophobicContact CB-CD2 3.95Å; W340-I421 HydrophobicContact CE3-CD1 4.28Å; W340-I421 HydrophobicContact CZ3-CD1 3.93Å; W340-L424 HydrophobicContact CH2-CD1 4.21Å |
| 341 | V | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.2 | 174.5 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | L303 L311 I334 S335 T336 F353 A355 | L303-V341 HydrophobicContact CD1-CB 3.94Å; L303-V341 HydrophobicContact CD1-CG1 3.97Å; L303-V341 HydrophobicContact CD1-CG2 3.89Å; L311-V341 HydrophobicContact CD2-CG1 4.33Å; I334-V341 HydrophobicContact CD1-CG2 3.67Å; I334-V341 HydrophobicContact CG1-CG2 3.56Å; S335-V341 CarbonylContact O-C 3.34Å; S335-V341 WeakPolarHBondContact O-CA 3.35Å; T336-V341 HydrophobicContact CG2-CB 3.71Å; T336-V341 HydrophobicContact CG2-CG2 3.61Å; V341-F353 HydrophobicContact CG1-CB 3.79Å; V341-F353 PolarHBondContact N-O 2.85Å; V341-F353 PolarHBondContact O-N 3.4Å; V341-A355 HydrophobicContact CB-CB 4.38Å; V341-A355 HydrophobicContact CG1-CB 4.31Å |
| 342 | T | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.7 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | I334 S335 C350 L351 I398 L400 | I334-T342 WeakPolarHBondContact CA-O 3.14Å; S335-T342 PolarHBondContact N-O 2.96Å; S335-T342 PolarHBondContact O-N 3.43Å; T342-C350 PolarHBondContact OG1-SG 3.29Å; T342-C350 VanDerWaalsContact OG1-SG 3.34Å; T342-L351 CarbonylContact C-O 3.52Å; T342-L351 WeakPolarHBondContact CA-O 3.42Å; T342-L351 WeakPolarHBondContact CB-O 3.36Å; T342-L351 PolarHBondContact OG1-O 2.91Å; T342-I398 HydrophobicContact CG2-CD1 3.64Å; T342-I398 HydrophobicContact CG2-CG1 3.94Å; T342-I398 WeakPolarHBondContact OG1-CD1 3.37Å; T342-L400 HydrophobicContact CG2-CB 3.91Å; T342-L400 HydrophobicContact CG2-CD2 4.48Å |
| 343 | V | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.5 | -176.3 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | V305 L311 L326 A331 I334 L351 | V305-V343 HydrophobicContact CG1-CG1 3.76Å; V305-V343 HydrophobicContact CG1-CG2 4.12Å; L311-V343 HydrophobicContact CD1-CG2 4.23Å; L311-V343 HydrophobicContact CD2-CG2 4.24Å; L326-V343 HydrophobicContact CD1-CG1 3.84Å; A331-V343 HydrophobicContact CB-CG1 3.95Å; I334-V343 HydrophobicContact CD1-CG2 4.27Å; I334-V343 HydrophobicContact CG1-CG2 4.15Å; V343-L351 PolarHBondContact N-O 3.42Å; V343-L351 PolarHBondContact O-N 2.88Å |
| 344 | G | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 120 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | N332 C333 | N332-G344 PolarHBondContact N-O 3.35Å; C333-G344 PolarHBondContact N-O 3.21Å; C333-G344 PolarHBondContact O-N 3.21Å |
| 345 | C | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -176.7 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | T328 R330 V349 I395 | T328-C345 HydrophobicContact CG2-CB 3.69Å; T328-C345 PolarHBondContact OG1-SG 2.96Å; T328-C345 VanDerWaalsContact OG1-SG 3.35Å; R330-C345 WeakPolarHBondContact O-CA 3.4Å; R330-C345 WeakPolarHBondContact O-CB 3.46Å; C345-V349 HydrophobicContact CB-CB 4.16Å; C345-V349 VanDerWaalsContact CB-O 3.31Å; C345-V349 WeakPolarHBondContact CB-O 3.26Å; C345-V349 PolarHBondContact N-O 2.89Å; C345-I395 PolarHBondContact O-N 2.87Å; C345-I395 VanDerWaalsContact O-N 3.09Å |
| 346 | T | 91.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -62.2 | 168.6 | 160.4 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | S329 R330 G348 V349 D394 | S329-T346 WeakPolarHBondContact OG-CB 3.11Å; S329-T346 PolarHBondContact OG-OG1 3.03Å; R330-T346 HydrophobicContact CB-CG2 3.81Å; R330-T346 HydrophobicContact CG-CG2 4.17Å; R330-T346 PolarHBondContact N-OG1 2.6Å; R330-T346 PolarHBondContact O-N 2.91Å; R330-T346 PolarHBondContact O-OG1 3.34Å; T346-G348 PolarHBondContact O-N 3.05Å; T346-G348 VanDerWaalsContact O-N 3.16Å; T346-V349 PolarHBondContact O-N 3.1Å; T346-V349 VanDerWaalsContact O-N 3.14Å; T346-D394 WeakPolarHBondContact CA-OD1 3.29Å; T346-D394 WeakPolarHBondContact CB-OD1 3.5Å |
| 347 | T | 86.3 | Confident | 92.2 | Very high | 56 Ų | 56 | 22 Ų | 22 | 34% | 0.344 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.1 | 175.7 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | V349 Y392 D394 | T347-V349 PolarHBondContact O-N 2.92Å; T347-Y392 WeakPolarHBondContact CA-O 3.32Å; T347-Y392 WeakPolarHBondContact O-CB 3.17Å; T347-D394 PolarHBondContact N-OD1 2.9Å |
| 348 | G | 87.7 | Confident | 92.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 3.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | T346 C350 P393 | T346-G348 PolarHBondContact O-N 3.05Å; T346-G348 VanDerWaalsContact O-N 3.16Å; G348-C350 PolarHBondContact O-N 3Å; G348-P393 WeakPolarHBondContact CA-O 3.43Å; G348-P393 PolarHBondContact N-O 3.39Å |
| 349 | V | 93.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 25.1 Ų | 25.1 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | trans | -74.9 | 112.4 | -173.1 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | T328 C345 T346 T347 L351 L366 | T328-V349 HydrophobicContact CG2-CB 3.88Å; T328-V349 HydrophobicContact CG2-CG1 3.67Å; T328-V349 HydrophobicContact CG2-CG2 4.21Å; C345-V349 HydrophobicContact CB-CB 4.16Å; C345-V349 VanDerWaalsContact CB-O 3.31Å; C345-V349 WeakPolarHBondContact CB-O 3.26Å; C345-V349 PolarHBondContact N-O 2.89Å; T346-V349 PolarHBondContact O-N 3.1Å; T346-V349 VanDerWaalsContact O-N 3.14Å; T347-V349 PolarHBondContact O-N 2.92Å; V349-L351 HydrophobicContact CG1-CD1 4.21Å; V349-L351 HydrophobicContact CG1-CD2 3.73Å; V349-L351 HydrophobicContact CG1-CG 3.79Å; V349-L366 HydrophobicContact CG2-CD2 3.96Å | ||
| 350 | C | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131 | 167.7 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | T342 G348 L364 I395 I398 | T342-C350 PolarHBondContact OG1-SG 3.29Å; T342-C350 VanDerWaalsContact OG1-SG 3.34Å; G348-C350 PolarHBondContact O-N 3Å; C350-L364 HydrophobicContact CB-CB 4.1Å; C350-L364 HydrophobicContact CB-CD1 4.43Å; C350-L364 HydrophobicContact CB-CD2 4.2Å; C350-L364 HydrophobicContact CB-CG 4.46Å; C350-L364 PolarHBondContact O-N 3.49Å; C350-I395 HydrophobicContact CB-CD1 3.59Å; C350-I398 WeakPolarHBondContact SG-CD1 3.43Å |
| 351 | L | 96.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 149.2 | -177.5 | -56.1 | 171.5 | 0 | 0 | 0 | 110.3 | L326 T342 V343 V349 F353 F360 K363 | L326-L351 HydrophobicContact CB-CD1 3.91Å; L326-L351 HydrophobicContact CD2-CD1 3.97Å; L326-L351 HydrophobicContact CG-CD1 4.45Å; T342-L351 CarbonylContact C-O 3.52Å; T342-L351 WeakPolarHBondContact CA-O 3.42Å; T342-L351 WeakPolarHBondContact CB-O 3.36Å; T342-L351 PolarHBondContact OG1-O 2.91Å; V343-L351 PolarHBondContact N-O 3.42Å; V343-L351 PolarHBondContact O-N 2.88Å; V349-L351 HydrophobicContact CG1-CD1 4.21Å; V349-L351 HydrophobicContact CG1-CD2 3.73Å; V349-L351 HydrophobicContact CG1-CG 3.79Å; L351-F353 HydrophobicContact CB-CD2 4.32Å; L351-F353 HydrophobicContact CB-CE2 3.5Å; L351-F353 HydrophobicContact CB-CZ 4.1Å; L351-F353 HydrophobicContact CD1-CE2 4.18Å; L351-F353 HydrophobicContact CD1-CZ 4.16Å; L351-F353 HydrophobicContact CG-CE2 4.47Å; L351-F360 HydrophobicContact CD2-CE2 3.94Å; L351-K363 HydrophobicContact CD2-CB 3.87Å; L351-K363 HydrophobicContact CD2-CD 4.31Å; L351-K363 HydrophobicContact CD2-CG 3.91Å |
| 352 | L | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.4 | 177.9 | -176.1 | 67.3 | 0 | 0 | 0 | 109.5 | W340 I361 A362 I407 L424 | W340-L352 HydrophobicContact CB-CD1 4.29Å; W340-L352 HydrophobicContact CE3-CD1 4.47Å; W340-L352 HydrophobicContact CE3-CD2 4.33Å; L352-I361 HydrophobicContact CB-CB 4.44Å; L352-I361 HydrophobicContact CD2-CB 4.28Å; L352-I361 HydrophobicContact CD2-CG2 3.93Å; L352-I361 HydrophobicContact CG-CB 4.14Å; L352-I361 HydrophobicContact CG-CD1 4.35Å; L352-I361 HydrophobicContact CG-CG2 4.34Å; L352-I361 WeakPolarHBondContact O-CB 3.43Å; L352-I361 PolarHBondContact O-N 3.42Å; L352-A362 HydrophobicContact CB-CB 4.43Å; L352-A362 PolarHBondContact N-O 3.3Å; L352-A362 PolarHBondContact O-N 3.33Å; L352-I407 HydrophobicContact CD1-CD1 4.41Å; L352-L424 HydrophobicContact CD2-CD2 3.74Å |
| 353 | F | 95.7 | Very high | 93.4 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.022 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 159.4 | -179.6 | -57.5 | -100.3 | 0 | 0 | 0 | 111.4 | L311 V324 L326 V341 L351 Q359 F360 I361 | L311-F353 HydrophobicContact CD2-CD2 3.92Å; L311-F353 HydrophobicContact CD2-CE2 4.24Å; L311-F353 HydrophobicContact CD2-CG 4.14Å; V324-F353 HydrophobicContact CG1-CE1 4.15Å; L326-F353 HydrophobicContact CD2-CE1 4.34Å; L326-F353 HydrophobicContact CD2-CE2 3.6Å; L326-F353 HydrophobicContact CD2-CZ 3.34Å; V341-F353 HydrophobicContact CG1-CB 3.79Å; V341-F353 PolarHBondContact N-O 2.85Å; V341-F353 PolarHBondContact O-N 3.4Å; L351-F353 HydrophobicContact CB-CD2 4.32Å; L351-F353 HydrophobicContact CB-CE2 3.5Å; L351-F353 HydrophobicContact CB-CZ 4.1Å; L351-F353 HydrophobicContact CD1-CE2 4.18Å; L351-F353 HydrophobicContact CD1-CZ 4.16Å; L351-F353 HydrophobicContact CG-CE2 4.47Å; F353-Q359 CarbonylContact C-O 3.55Å; F353-Q359 WeakPolarHBondContact CA-O 3.41Å; F353-Q359 WeakPolarHBondContact CB-O 3.39Å; F353-F360 VanDerWaalsContact CD1-CA 3.46Å; F353-F360 HydrophobicContact CD1-CB 3.96Å; F353-F360 HydrophobicContact CD1-CD2 4.46Å; F353-F360 HydrophobicContact CE1-CB 3.8Å; F353-F360 AromaticContact CE1-CD2 3.97Å; F353-F360 HydrophobicContact CE1-CD2 3.97Å; F353-F360 HydrophobicContact CE1-CG 4.39Å; F353-F360 HydrophobicContact CZ-CD2 4.1Å; F353-I361 VanDerWaalsContact C-CD1 3.48Å |
| 354 | E | 93.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 32.9 Ų | 32.9 | 34% | 0.341 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 130.8 | 163.2 | 179.1 | 179 | -117.5 | 0 | 0 | 110.1 | E356 S357 L358 Q359 I361 | E354-E356 PolarHBondContact O-N 3.42Å; E354-S357 WeakPolarHBondContact CB-OG 3.16Å; E354-S357 VanDerWaalsContact OE2-CB 3.24Å; E354-S357 WeakPolarHBondContact OE2-CB 3.2Å; E354-S357 PolarHBondContact OE2-OG 2.93Å; E354-L358 VanDerWaalsContact O-CA 3.22Å; E354-L358 WeakPolarHBondContact O-CA 3.34Å; E354-L358 PolarHBondContact O-N 3.24Å; E354-Q359 PolarHBondContact N-O 2.95Å; E354-I361 HydrophobicContact CB-CD1 4.21Å |
| 355 | A | 91.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115 | V223 L303 Q313 S339 V341 | V223-A355 HydrophobicContact CB-CB 4.45Å; V223-A355 HydrophobicContact CG1-CB 4.21Å; V223-A355 HydrophobicContact CG2-CB 4.24Å; L303-A355 HydrophobicContact CD1-CB 4.02Å; Q313-A355 PolarHBondContact OE1-O 2.75Å; S339-A355 VanDerWaalsContact O-CB 3.26Å; S339-A355 WeakPolarHBondContact O-CB 3.18Å; S339-A355 PolarHBondContact O-N 2.84Å; V341-A355 HydrophobicContact CB-CB 4.38Å; V341-A355 HydrophobicContact CG1-CB 4.31Å |
| 356 | E | 90.1 | Very high | 92.2 | Very high | 67 Ų | 67 | 38.2 Ų | 38.2 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -33.9 | -176.3 | -175.9 | 165.1 | 175.5 | 0 | 0 | 113 | S226 L301 K322 E354 | S226-E356 VanDerWaalsContact CB-OE2 3.3Å; S226-E356 WeakPolarHBondContact CB-OE2 3.38Å; S226-E356 PolarHBondContact N-OE2 2.81Å; S226-E356 PolarHBondContact OG-OE2 2.97Å; L301-E356 HydrophobicContact CD1-CB 4.08Å; L301-E356 HydrophobicContact CD1-CG 4.19Å; K322-E356 PolarHBondContact NZ-O 2.79Å; E354-E356 PolarHBondContact O-N 3.42Å |
| 357 | S | 92 | Very high | 91.6 | Very high | 46 Ų | 46 | 38.3 Ų | 38.3 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -23.9 | 177 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | E354 Q359 | E354-S357 WeakPolarHBondContact CB-OG 3.16Å; E354-S357 VanDerWaalsContact OE2-CB 3.24Å; E354-S357 WeakPolarHBondContact OE2-CB 3.2Å; E354-S357 PolarHBondContact OE2-OG 2.93Å; S357-Q359 PolarHBondContact O-N 2.9Å; S357-Q359 WeakPolarHBondContact OG-CB 3.48Å; S357-Q359 PolarHBondContact OG-N 3.4Å |
| 358 | L | 94.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | trans | 57 | 24.3 | -159.8 | -50.9 | -173.7 | 0 | 0 | 0 | 113.5 | L303 L311 Q313 K322 V324 E354 F360 | L303-L358 HydrophobicContact CD2-CD2 3.92Å; L311-L358 HydrophobicContact CD2-CD2 4.12Å; L311-L358 HydrophobicContact CG-CD2 4.41Å; Q313-L358 HydrophobicContact CB-CD1 4.03Å; K322-L358 HydrophobicContact CB-CD1 3.68Å; K322-L358 HydrophobicContact CB-CG 4.35Å; V324-L358 HydrophobicContact CG2-CB 3.68Å; V324-L358 HydrophobicContact CG2-CD1 4.07Å; E354-L358 VanDerWaalsContact O-CA 3.22Å; E354-L358 WeakPolarHBondContact O-CA 3.34Å; E354-L358 PolarHBondContact O-N 3.24Å; L358-F360 PolarHBondContact O-N 2.98Å | ||
| 359 | Q | 93.9 | Very high | 89.1 | Confident | 129 Ų | 129 | 38.6 Ų | 38.6 | 60% | 0.603 | 20% | 0.195 | S | C | * | . | trans | -66.8 | 128.8 | 172.8 | 179.1 | 170.4 | -22.6 | 0 | 0 | 110.1 | F353 E354 S357 I361 | F353-Q359 CarbonylContact C-O 3.55Å; F353-Q359 WeakPolarHBondContact CA-O 3.41Å; F353-Q359 WeakPolarHBondContact CB-O 3.39Å; E354-Q359 PolarHBondContact N-O 2.95Å; S357-Q359 PolarHBondContact O-N 2.9Å; S357-Q359 WeakPolarHBondContact OG-CB 3.48Å; S357-Q359 PolarHBondContact OG-N 3.4Å; Q359-I361 PolarHBondContact O-N 2.77Å | ||
| 360 | F | 94.4 | Very high | 87.1 | Confident | 107 Ų | 107 | 39.9 Ų | 39.9 | 47% | 0.469 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.9 | 171.8 | 173.4 | -103.9 | 0 | 0 | 0 | 110.6 | L351 F353 L358 A362 K363 | L351-F360 HydrophobicContact CD2-CE2 3.94Å; F353-F360 VanDerWaalsContact CD1-CA 3.46Å; F353-F360 HydrophobicContact CD1-CB 3.96Å; F353-F360 HydrophobicContact CD1-CD2 4.46Å; F353-F360 HydrophobicContact CE1-CB 3.8Å; F353-F360 AromaticContact CE1-CD2 3.97Å; F353-F360 HydrophobicContact CE1-CD2 3.97Å; F353-F360 HydrophobicContact CE1-CG 4.39Å; F353-F360 HydrophobicContact CZ-CD2 4.1Å; L358-F360 PolarHBondContact O-N 2.98Å; F360-A362 WeakPolarHBondContact CE2-O 3.43Å; F360-K363 HydrophobicContact CE2-CB 4.21Å; F360-K363 HydrophobicContact CZ-CB 3.91Å; F360-K363 VanDerWaalsContact CZ-N 3.35Å |
| 361 | I | 93.2 | Very high | 84.4 | Confident | 54 Ų | 54 | 41.4 Ų | 41.4 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -56.3 | 179.1 | -62.1 | 176.7 | 0 | 0 | 0 | 109.9 | W340 L352 F353 E354 Q359 L424 | W340-I361 HydrophobicContact CG-CD1 4.37Å; L352-I361 HydrophobicContact CB-CB 4.44Å; L352-I361 HydrophobicContact CD2-CB 4.28Å; L352-I361 HydrophobicContact CD2-CG2 3.93Å; L352-I361 HydrophobicContact CG-CB 4.14Å; L352-I361 HydrophobicContact CG-CD1 4.35Å; L352-I361 HydrophobicContact CG-CG2 4.34Å; L352-I361 WeakPolarHBondContact O-CB 3.43Å; L352-I361 PolarHBondContact O-N 3.42Å; F353-I361 VanDerWaalsContact C-CD1 3.48Å; E354-I361 HydrophobicContact CB-CD1 4.21Å; Q359-I361 PolarHBondContact O-N 2.77Å; I361-L424 HydrophobicContact CG2-CD1 3.61Å; I361-L424 HydrophobicContact CG2-CD2 4.35Å |
| 362 | A | 93 | Very high | 81.3 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 155.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L352 F360 L424 I427 | L352-A362 HydrophobicContact CB-CB 4.43Å; L352-A362 PolarHBondContact N-O 3.3Å; L352-A362 PolarHBondContact O-N 3.33Å; F360-A362 WeakPolarHBondContact CE2-O 3.43Å; A362-L424 HydrophobicContact CB-CD2 4.42Å; A362-I427 HydrophobicContact CB-CD1 3.89Å |
| 363 | K | 93.4 | Very high | 77.9 | Confident | 104 Ų | 104 | 45.3 Ų | 45.3 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.8 | 163.3 | 173.3 | 179 | 174 | -173.3 | 0 | 106.6 | L351 F360 | L351-K363 HydrophobicContact CD2-CB 3.87Å; L351-K363 HydrophobicContact CD2-CD 4.31Å; L351-K363 HydrophobicContact CD2-CG 3.91Å; F360-K363 HydrophobicContact CE2-CB 4.21Å; F360-K363 HydrophobicContact CZ-CB 3.91Å; F360-K363 VanDerWaalsContact CZ-N 3.35Å |
| 364 | L | 91.7 | Very high | 74.5 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 155.6 | 176.6 | -76.9 | 63.9 | 0 | 0 | 0 | 109.8 | C350 I407 W419 I427 | C350-L364 HydrophobicContact CB-CB 4.1Å; C350-L364 HydrophobicContact CB-CD1 4.43Å; C350-L364 HydrophobicContact CB-CD2 4.2Å; C350-L364 HydrophobicContact CB-CG 4.46Å; C350-L364 PolarHBondContact O-N 3.49Å; L364-I407 HydrophobicContact CD1-CD1 4.01Å; L364-I407 HydrophobicContact CD2-CB 4.07Å; L364-I407 HydrophobicContact CD2-CD1 3.98Å; L364-I407 HydrophobicContact CD2-CG2 3.92Å; L364-W419 HydrophobicContact CD2-CB 3.91Å; L364-W419 HydrophobicContact CD2-CD2 4.3Å; L364-W419 HydrophobicContact CD2-CG 3.69Å; L364-I427 HydrophobicContact CD1-CD1 4.35Å; L364-I427 HydrophobicContact CG-CD1 4.35Å; L364-I427 HydrophobicContact CG-CG2 4.14Å |
| 365 | P | 86.9 | Confident | 71.3 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 147.5 | 171 | -21.6 | 32.6 | 0 | 0 | 0 | 111.3 | W419 I427 | P365-W419 HydrophobicContact CB-CH2 3.82Å; P365-W419 HydrophobicContact CB-CZ3 3.74Å; P365-W419 HydrophobicContact CG-CE3 4.36Å; P365-W419 HydrophobicContact CG-CH2 4.34Å; P365-W419 HydrophobicContact CG-CZ3 3.76Å; P365-I427 HydrophobicContact CG-CG2 4.37Å |
| 366 | L | 85.6 | Confident | 68.1 | Low | 56 Ų | 56 | 58 Ų | 58 | 29% | 0.293 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 149.3 | 177.2 | -64.8 | 175.4 | 0 | 0 | 0 | 110.2 | V349 Y392 | V349-L366 HydrophobicContact CG2-CD2 3.96Å; L366-Y392 HydrophobicContact CB-CD1 3.7Å; L366-Y392 HydrophobicContact CB-CE1 3.54Å; L366-Y392 HydrophobicContact CB-CG 4.38Å; L366-Y392 HydrophobicContact CD1-CD1 4.29Å; L366-Y392 HydrophobicContact CD1-CD2 4.03Å; L366-Y392 HydrophobicContact CD1-CE1 3.92Å; L366-Y392 HydrophobicContact CD1-CE2 3.66Å; L366-Y392 HydrophobicContact CD1-CG 4.34Å; L366-Y392 HydrophobicContact CG-CD1 4.48Å; L366-Y392 HydrophobicContact CG-CE1 4.34Å |
| 367 | P | 78.7 | Confident | 65 | Low | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.019 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 162.7 | 174.9 | 30.4 | -38 | 0 | 0 | 0 | 111.2 | T369 Y392 P393 Y411 | P367-T369 PolarHBondContact O-N 2.76Å; P367-Y392 HydrophobicContact CG-CD1 4.19Å; P367-Y392 WeakPolarHBondContact O-CD1 3.42Å; P367-Y392 WeakPolarHBondContact O-CE1 3.34Å; P367-P393 HydrophobicContact CB-CG 4.3Å; P367-P393 HydrophobicContact CG-CG 3.87Å; P367-Y411 HydrophobicContact CB-CD1 4.26Å; P367-Y411 HydrophobicContact CB-CE1 3.73Å; P367-Y411 HydrophobicContact CG-CD1 4.04Å; P367-Y411 HydrophobicContact CG-CE1 3.54Å |
| 368 | H | 63.5 | Low | 61.9 | Low | 43 Ų | 43 | 65.6 Ų | 65.6 | 20% | 0.199 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 131.4 | 169.6 | -178.2 | -80.8 | 0 | 0 | 0 | 110.1 | L370 | H368-L370 PolarHBondContact O-N 3.13Š|
| 369 | T | 56.8 | Low | 58.7 | Low | 20 Ų | 20 | 72.7 Ų | 72.7 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | trans | -76.4 | 95.8 | 172.8 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | P367 G371 S372 I391 Y392 | P367-T369 PolarHBondContact O-N 2.76Å; T369-G371 PolarHBondContact O-N 2.85Å; T369-S372 WeakPolarHBondContact CB-OG 3.27Å; T369-S372 PolarHBondContact OG1-OG 3.11Å; T369-I391 WeakPolarHBondContact CG2-O 3.46Å; T369-Y392 HydrophobicContact CG2-CD1 3.33Å; T369-Y392 HydrophobicContact CG2-CD2 4.29Å; T369-Y392 HydrophobicContact CG2-CE1 3.47Å; T369-Y392 VanDerWaalsContact CG2-CE1 3.47Å; T369-Y392 HydrophobicContact CG2-CE2 4.38Å; T369-Y392 HydrophobicContact CG2-CG 3.78Å | ||
| 370 | L | 53 | Low | 55.6 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 101.3 | 168.1 | -66 | -177.4 | 0 | 0 | 0 | 108.6 | H368 Y434 I537 Y539 | H368-L370 PolarHBondContact O-N 3.13Å; L370-Y434 HydrophobicContact CD1-CD1 3.81Å; L370-Y434 HydrophobicContact CD1-CG 4.43Å; L370-Y434 HydrophobicContact CD2-CD1 4.29Å; L370-Y434 HydrophobicContact CG-CD1 4.31Å; L370-I537 HydrophobicContact CD2-CD1 4.48Å; L370-Y539 WeakPolarHBondContact CD2-OH 3.49Å |
| 371 | G | 39 | Very low | 52.4 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T369 L544 | T369-G371 PolarHBondContact O-N 2.85Å; G371-L544 WeakPolarHBondContact O-CD2 3.27Å |
| 372 | S | 30.3 | Very low | 49.3 | Very low | 30 Ų | 30 | 77.9 Ų | 77.9 | 21% | 0.21 | 43% | 0.433 | C | S | . | . | trans | -122.6 | 147.6 | 163.1 | 101.8 | 0 | 0 | 0 | 0 | 112.2 | T369 L374 | T369-S372 WeakPolarHBondContact CB-OG 3.27Å; T369-S372 PolarHBondContact OG1-OG 3.11Å; S372-L374 PolarHBondContact O-N 2.9Å | ||
| 373 | S | 24.3 | Very low | 46.2 | Very low | 62 Ų | 62 | 82.8 Ų | 82.8 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | trans | -77.9 | 116.2 | -167.6 | -48.1 | 0 | 0 | 0 | 0 | 113.6 | H375 | S373-H375 PolarHBondContact O-N 2.9Š| ||
| 374 | L | 25.2 | Very low | 42.9 | Very low | 105 Ų | 105 | 82 Ų | 82 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | trans | -78.8 | 105 | 157.3 | -84.7 | 167.7 | 0 | 0 | 0 | 109.8 | S372 L376 L559 | S372-L374 PolarHBondContact O-N 2.9Å; L374-L376 PolarHBondContact O-N 3.06Å; L374-L559 HydrophobicContact CD1-CD1 3.93Å; L374-L559 HydrophobicContact CD1-CD2 3.74Å; L374-L559 HydrophobicContact CD1-CG 4.44Å | ||
| 375 | H | 25.7 | Very low | 39.8 | Very low | 139 Ų | 139 | 89.7 Ų | 89.7 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | trans | -60.5 | 102.2 | 173.7 | -94.5 | -72.3 | 0 | 0 | 0 | 110.9 | S373 N388 | S373-H375 PolarHBondContact O-N 2.9Å; H375-N388 WeakPolarHBondContact NE2-CB 3.46Å; H375-N388 PolarHBondContact NE2-ND2 3Å | ||
| 376 | L | 24.6 | Very low | 36.9 | Very low | 103 Ų | 103 | 94.5 Ų | 94.5 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | trans | -112.3 | 62.9 | 174.1 | -95.1 | 164.8 | 0 | 0 | 0 | 109.8 | L374 L562 | L374-L376 PolarHBondContact O-N 3.06Å; L376-L562 HydrophobicContact CD2-CD1 4.07Å | ||
| 377 | F | 26.4 | Very low | 34.2 | Very low | 170 Ų | 170 | 98 Ų | 98 | 75% | 0.746 | 57% | 0.574 | S | S | * | * | trans | -142.7 | 103.3 | 168.2 | -78.8 | -69.4 | 0 | 0 | 0 | 109.8 | ||||
| 378 | P | 26.3 | Very low | 32 | Very low | 102 Ų | 102 | 103 Ų | 103 | 66% | 0.662 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -60.6 | 165 | 135.1 | 32.4 | -34.1 | 0 | 0 | 0 | 109.9 | ||
| 379 | D | 26.2 | Very low | 31 | Very low | 159 Ų | 159 | 109.7 Ų | 109.7 | 85% | 0.85 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 73.3 | 26.8 | 163.3 | -50.1 | -24.8 | 0 | 0 | 0 | 119.6 | ||
| 380 | V | 29.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 111.2 Ų | 111.2 | 74% | 0.739 | 64% | 0.644 | S | S | * | * | trans | -138.2 | 104.7 | 152.7 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 381 | I | 26.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 114.9 Ų | 114.9 | 85% | 0.846 | 66% | 0.663 | S | S | * | * | trans | -128.8 | 103.9 | 168.1 | -58.9 | 178 | 0 | 0 | 0 | 109.1 | ||||
| 382 | S | 28.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | trans | -172 | 56 | 164.3 | -84.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 383 | S | 27.6 | Very low | 35.7 | Very low | 112 Ų | 112 | 115 Ų | 115 | 78% | 0.783 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -172.2 | 87.7 | 159.1 | 40.4 | 0 | 0 | 0 | 0 | 115.8 | L385 | S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 2.85Å |
| 384 | G | 25.1 | Very low | 38.8 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 92% | 0.918 | 63% | 0.633 | S | S | * | * | trans | 60.3 | -0.7 | 131.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 385 | L | 26.3 | Very low | 42.2 | Very low | 162 Ų | 162 | 107.7 Ų | 107.7 | 85% | 0.848 | 61% | 0.607 | S | S | * | * | trans | -124.5 | 149 | 179.8 | -69.7 | 173.7 | 0 | 0 | 0 | 112.2 | S383 | S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 2.85Å | ||
| 386 | N | 27.2 | Very low | 45.4 | Very low | 157 Ų | 157 | 102.3 Ų | 102.3 | 84% | 0.84 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 143.9 | -176.4 | -84.2 | -23.4 | 0 | 0 | 0 | 112.3 | ||
| 387 | V | 28.2 | Very low | 48.9 | Very low | 129 Ų | 129 | 97.4 Ų | 97.4 | 78% | 0.782 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.9 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | E389 | V387-E389 PolarHBondContact O-N 2.73Š|
| 388 | N | 31.5 | Very low | 52.3 | Low | 108 Ų | 108 | 89.3 Ų | 89.3 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 120.4 | -173.8 | -60 | -30.3 | 0 | 0 | 0 | 112.1 | H375 | H375-N388 WeakPolarHBondContact NE2-CB 3.46Å; H375-N388 PolarHBondContact NE2-ND2 3Å |
| 389 | E | 43.9 | Very low | 55.6 | Low | 184 Ų | 184 | 85.3 Ų | 85.3 | 86% | 0.86 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 146.1 | 161 | -65 | -173.6 | 138.9 | 0 | 0 | 110.2 | V387 | V387-E389 PolarHBondContact O-N 2.73Š|
| 390 | S | 46.7 | Very low | 58.9 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 128.4 | 177.9 | 43.7 | 0 | 0 | 0 | 0 | 111.6 | Y392 | S390-Y392 VanDerWaalsContact O-CD2 3.22Å; S390-Y392 WeakPolarHBondContact O-CD2 3.48Å; S390-Y392 WeakPolarHBondContact O-CE2 3.49Å; S390-Y392 WeakPolarHBondContact OG-CE2 3.29Å; S390-Y392 PolarHBondContact OG-OH 3.25Å |
| 391 | I | 66.5 | Low | 61.8 | Low | 117 Ų | 117 | 72.2 Ų | 72.2 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | trans | -93.1 | 114.7 | -176.2 | -56.9 | 178.9 | 0 | 0 | 0 | 109.2 | T369 | T369-I391 WeakPolarHBondContact CG2-O 3.46Š| ||
| 392 | Y | 79.2 | Confident | 64.5 | Low | 53 Ų | 53 | 66.5 Ų | 66.5 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 143.2 | 178 | -63.7 | -92.2 | 0 | 0 | 0 | 111.1 | T347 L366 P367 T369 S390 | T347-Y392 WeakPolarHBondContact CA-O 3.32Å; T347-Y392 WeakPolarHBondContact O-CB 3.17Å; L366-Y392 HydrophobicContact CB-CD1 3.7Å; L366-Y392 HydrophobicContact CB-CE1 3.54Å; L366-Y392 HydrophobicContact CB-CG 4.38Å; L366-Y392 HydrophobicContact CD1-CD1 4.29Å; L366-Y392 HydrophobicContact CD1-CD2 4.03Å; L366-Y392 HydrophobicContact CD1-CE1 3.92Å; L366-Y392 HydrophobicContact CD1-CE2 3.66Å; L366-Y392 HydrophobicContact CD1-CG 4.34Å; L366-Y392 HydrophobicContact CG-CD1 4.48Å; L366-Y392 HydrophobicContact CG-CE1 4.34Å; P367-Y392 HydrophobicContact CG-CD1 4.19Å; P367-Y392 WeakPolarHBondContact O-CD1 3.42Å; P367-Y392 WeakPolarHBondContact O-CE1 3.34Å; T369-Y392 HydrophobicContact CG2-CD1 3.33Å; T369-Y392 HydrophobicContact CG2-CD2 4.29Å; T369-Y392 HydrophobicContact CG2-CE1 3.47Å; T369-Y392 VanDerWaalsContact CG2-CE1 3.47Å; T369-Y392 HydrophobicContact CG2-CE2 4.38Å; T369-Y392 HydrophobicContact CG2-CG 3.78Å; S390-Y392 VanDerWaalsContact O-CD2 3.22Å; S390-Y392 WeakPolarHBondContact O-CD2 3.48Å; S390-Y392 WeakPolarHBondContact O-CE2 3.49Å; S390-Y392 WeakPolarHBondContact OG-CE2 3.29Å; S390-Y392 PolarHBondContact OG-OH 3.25Å |
| 393 | P | 85.1 | Confident | 67.3 | Low | 13 Ų | 13 | 66.4 Ų | 66.4 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 142.3 | 179.6 | 27.3 | -36.4 | 0 | 0 | 0 | 112.3 | G348 P367 Y411 N412 D413 | G348-P393 WeakPolarHBondContact CA-O 3.43Å; G348-P393 PolarHBondContact N-O 3.39Å; P367-P393 HydrophobicContact CB-CG 4.3Å; P367-P393 HydrophobicContact CG-CG 3.87Å; P393-Y411 HydrophobicContact CB-CD1 4.44Å; P393-Y411 HydrophobicContact CG-CD1 4.09Å; P393-Y411 HydrophobicContact CG-CG 4.47Å; P393-N412 WeakPolarHBondContact CA-OD1 3.15Å; P393-N412 WeakPolarHBondContact CB-OD1 3.38Å; P393-D413 HydrophobicContact CB-CB 3.92Å; P393-D413 HydrophobicContact CG-CB 4.47Å |
| 394 | D | 90.2 | Very high | 70.2 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 144.8 | 179.7 | -71.4 | -15.4 | 0 | 0 | 0 | 111.6 | T346 T347 Y411 N412 N1466 | T346-D394 WeakPolarHBondContact CA-OD1 3.29Å; T346-D394 WeakPolarHBondContact CB-OD1 3.5Å; T347-D394 PolarHBondContact N-OD1 2.9Å; D394-Y411 CarbonylContact O-C 3.26Å; D394-Y411 VanDerWaalsContact O-CA 3.29Å; D394-Y411 WeakPolarHBondContact O-CA 3.43Å; D394-N412 HydrophobicContact CB-CB 4.31Å; D394-N412 WeakPolarHBondContact CB-ND2 3.3Å; D394-N412 VanDerWaalsContact N-CG 3.32Å; D394-N412 PolarHBondContact N-ND2 3.24Å; D394-N412 PolarHBondContact N-OD1 3.28Å; D394-N412 PolarHBondContact O-N 2.83Å; D394-N1466 WeakPolarHBondContact OD2-CB 3.18Å; D394-N1466 PolarHBondContact OD2-ND2 2.77Å |
| 395 | I | 95.4 | Very high | 73.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125.7 | 170.8 | -57.1 | 172.9 | 0 | 0 | 0 | 109 | N332 C345 C350 A397 I398 Y411 | N332-I395 WeakPolarHBondContact CB-O 3.47Å; N332-I395 PolarHBondContact ND2-O 2.84Å; N332-I395 VanDerWaalsContact ND2-O 3.16Å; C345-I395 PolarHBondContact O-N 2.87Å; C345-I395 VanDerWaalsContact O-N 3.09Å; C350-I395 HydrophobicContact CB-CD1 3.59Å; I395-A397 WeakPolarHBondContact CG2-O 3.43Å; I395-I398 HydrophobicContact CG2-CB 4.4Å; I395-Y411 HydrophobicContact CD1-CE1 4.09Å; I395-Y411 HydrophobicContact CG1-CD1 3.78Å; I395-Y411 HydrophobicContact CG1-CE1 3.46Å; I395-Y411 VanDerWaalsContact CG1-CE1 3.46Å |
| 396 | I | 94 | Very high | 76.5 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -25.5 | -177.8 | 59.5 | 165.9 | 0 | 0 | 0 | 113.4 | F31 L33 S35 N36 F410 N412 | F31-I396 HydrophobicContact CE2-CD1 3.83Å; F31-I396 HydrophobicContact CZ-CD1 4.31Å; L33-I396 HydrophobicContact CB-CD1 3.91Å; S35-I396 CarbonylContact C-O 3.49Å; N36-I396 PolarHBondContact N-O 3.22Å; I396-F410 HydrophobicContact CG1-CB 4.08Å; I396-F410 VanDerWaalsContact CG1-O 3.3Å; I396-F410 WeakPolarHBondContact CG1-O 3.45Å; I396-F410 PolarHBondContact N-O 2.86Å; I396-N412 HydrophobicContact CG2-CB 3.82Å |
| 397 | A | 97.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 149.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | N36 V39 I395 F410 | N36-A397 HydrophobicContact CB-CB 4.32Å; V39-A397 HydrophobicContact CB-CB 4.47Å; V39-A397 HydrophobicContact CG2-CB 3.91Å; I395-A397 WeakPolarHBondContact CG2-O 3.43Å; A397-F410 HydrophobicContact CB-CB 4.19Å; A397-F410 HydrophobicContact CB-CD2 4.31Å; A397-F410 HydrophobicContact CB-CG 4.49Å; A397-F410 PolarHBondContact N-O 2.85Å; A397-F410 PolarHBondContact O-N 3.49Å |
| 398 | I | 97.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 142 | -178.3 | -168.2 | 166.3 | 0 | 0 | 0 | 110.3 | N36 C333 S335 T342 C350 I395 I407 I408 | N36-I398 PolarHBondContact OD1-N 3.2Å; N36-I398 PolarHBondContact OD1-O 3.4Å; C333-I398 HydrophobicContact CB-CG2 4.23Å; S335-I398 WeakPolarHBondContact CB-O 3.3Å; T342-I398 HydrophobicContact CG2-CD1 3.64Å; T342-I398 HydrophobicContact CG2-CG1 3.94Å; T342-I398 WeakPolarHBondContact OG1-CD1 3.37Å; C350-I398 WeakPolarHBondContact SG-CD1 3.43Å; I395-I398 HydrophobicContact CG2-CB 4.4Å; I398-I407 HydrophobicContact CD1-CG2 3.85Å; I398-I407 HydrophobicContact CG1-CG2 3.92Å; I398-I408 WeakPolarHBondContact CA-O 3.48Å |
| 399 | K | 96.1 | Very high | 86 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 8% | 0.078 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.8 | 172.8 | -56.7 | -63.9 | 171.9 | -149.8 | 0 | 110.4 | N36 V39 F41 I407 I408 | N36-K399 PolarHBondContact O-NZ 2.83Å; N36-K399 PolarHBondContact OD1-NZ 2.87Å; V39-K399 HydrophobicContact CG1-CG 4.1Å; V39-K399 WeakPolarHBondContact O-CE 3.27Å; V39-K399 PolarHBondContact O-NZ 3.19Å; F41-K399 HydrophobicContact CB-CB 4.17Å; F41-K399 HydrophobicContact CB-CD 4.09Å; F41-K399 HydrophobicContact CB-CG 4.07Å; K399-I407 WeakPolarHBondContact O-CA 3.49Å; K399-I408 PolarHBondContact N-O 3.07Å; K399-I408 PolarHBondContact O-N 2.99Å |
| 400 | L | 94.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.1 | 177.1 | 171.8 | 63.1 | 0 | 0 | 0 | 110.3 | S335 S337 W340 T342 I407 I421 | S335-L400 PolarHBondContact OG-N 3.04Å; S337-L400 WeakPolarHBondContact CB-O 3.18Å; W340-L400 HydrophobicContact CB-CD2 3.95Å; T342-L400 HydrophobicContact CG2-CB 3.91Å; T342-L400 HydrophobicContact CG2-CD2 4.48Å; L400-I407 HydrophobicContact CD1-CD1 4.15Å; L400-I407 HydrophobicContact CD1-CG1 3.59Å; L400-I421 HydrophobicContact CD1-CD1 3.76Å |
| 401 | D | 90.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 100.1 | 170.1 | -178.5 | -14.1 | 0 | 0 | 0 | 109 | F41 I403 R404 N405 R406 | F41-D401 HydrophobicContact CE1-CB 3.74Å; F41-D401 HydrophobicContact CE2-CB 4.46Å; F41-D401 HydrophobicContact CZ-CB 3.59Å; F41-D401 VanDerWaalsContact CZ-CG 3.46Å; F41-D401 VanDerWaalsContact CZ-OD2 3.28Å; F41-D401 WeakPolarHBondContact CZ-OD2 3.37Å; D401-I403 VanDerWaalsContact C-N 3.3Å; D401-I403 WeakPolarHBondContact OD1-CA 3.28Å; D401-I403 WeakPolarHBondContact OD1-CB 3.2Å; D401-I403 PolarHBondContact OD1-N 3.13Å; D401-R404 PolarHBondContact OD1-N 2.97Å; D401-R404 IonicContact OD1-NH1 2.8Å; D401-R404 WeakPolarHBondContact OD2-CB 3.3Å; D401-R404 WeakPolarHBondContact OD2-CD 3.24Å; D401-R404 VanDerWaalsContact OD2-CG 3.25Å; D401-R404 WeakPolarHBondContact OD2-CG 3.44Å; D401-R404 IonicContact OD2-CZ 2.68Å; D401-R404 IonicContact OD2-NE 3.99Å; D401-R404 IonicContact OD2-NH1 3.42Å; D401-R404 PolarHBondContact OD2-NH1 3.1Å; D401-N405 CarbonylContact O-C 3.52Å; D401-N405 WeakPolarHBondContact O-CA 3.23Å; D401-N405 PolarHBondContact O-N 3.12Å; D401-R406 HydrophobicContact CB-CB 4.42Å; D401-R406 PolarHBondContact N-O 2.83Å; D401-R406 PolarHBondContact O-N 3.03Å |
| 402 | C | 84.3 | Confident | 91.8 | Very high | 46 Ų | 46 | 21.8 Ų | 21.8 | 31% | 0.311 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.8 | 176.3 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | S337 | S337-C402 PolarHBondContact OG-SG 3.03Š|
| 403 | I | 87.2 | Confident | 92 | Very high | 110 Ų | 110 | 20.2 Ų | 20.2 | 56% | 0.564 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -36.2 | 178.9 | -59.1 | 176.4 | 0 | 0 | 0 | 109.9 | D43 D401 | D43-I403 HydrophobicContact CB-CD1 3.95Å; D401-I403 VanDerWaalsContact C-N 3.3Å; D401-I403 WeakPolarHBondContact OD1-CA 3.28Å; D401-I403 WeakPolarHBondContact OD1-CB 3.2Å; D401-I403 PolarHBondContact OD1-N 3.13Å |
| 404 | R | 88.3 | Confident | 92.3 | Very high | 47 Ų | 47 | 19.6 Ų | 19.6 | 18% | 0.177 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 2.2 | 177.4 | -57.9 | 177.5 | -175.3 | 66.4 | 6.8 | 113.6 | D43 G46 E62 D401 R406 H422 | D43-R404 PolarHBondContact O-NH1 3.35Å; G46-R404 VanDerWaalsContact CA-CZ 3.42Å; E62-R404 WeakPolarHBondContact OE1-CD 3.49Å; E62-R404 IonicContact OE1-CZ 3.93Å; E62-R404 IonicContact OE1-NE 3.7Å; E62-R404 PolarHBondContact OE1-NE 2.83Å; D401-R404 PolarHBondContact OD1-N 2.97Å; D401-R404 IonicContact OD1-NH1 2.8Å; D401-R404 WeakPolarHBondContact OD2-CB 3.3Å; D401-R404 WeakPolarHBondContact OD2-CD 3.24Å; D401-R404 VanDerWaalsContact OD2-CG 3.25Å; D401-R404 WeakPolarHBondContact OD2-CG 3.44Å; D401-R404 IonicContact OD2-CZ 2.68Å; D401-R404 IonicContact OD2-NE 3.99Å; D401-R404 IonicContact OD2-NH1 3.42Å; D401-R404 PolarHBondContact OD2-NH1 3.1Å; R404-R406 HydrophobicContact CB-CG 4.34Å; R404-H422 PolarHBondContact O-CE1 2.88Å |
| 405 | N | 90.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 19 Ų | 19 | 23% | 0.23 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 58.1 | -172.6 | -54.8 | -70.4 | 0 | 0 | 0 | 112.3 | D401 I421 H422 | D401-N405 CarbonylContact O-C 3.52Å; D401-N405 WeakPolarHBondContact O-CA 3.23Å; D401-N405 PolarHBondContact O-N 3.12Å; N405-I421 VanDerWaalsContact C-CG1 3.42Å; N405-I421 HydrophobicContact CB-CG1 4.11Å; N405-I421 VanDerWaalsContact O-CG1 3.29Å; N405-I421 WeakPolarHBondContact O-CG1 3.4Å; N405-I421 PolarHBondContact O-N 3.15Å; N405-H422 HydrophobicContact CB-CB 4.41Å; N405-H422 PolarHBondContact ND2-CD2 2.99Å; N405-H422 PolarHBondContact ND2-NE2 3.43Å |
| 406 | R | 92.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 19 Ų | 19 | 18% | 0.181 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.5 | -179.8 | -69.8 | 174.4 | -175.8 | -164.8 | -1.2 | 113.3 | F61 D401 R404 I408 V418 W419 | F61-R406 PolarHBondContact O-NH1 2.75Å; D401-R406 HydrophobicContact CB-CB 4.42Å; D401-R406 PolarHBondContact N-O 2.83Å; D401-R406 PolarHBondContact O-N 3.03Å; R404-R406 HydrophobicContact CB-CG 4.34Å; R406-I408 HydrophobicContact CB-CD1 4.41Å; R406-V418 HydrophobicContact CB-CG1 4.49Å; R406-V418 HydrophobicContact CG-CG1 4.41Å; R406-W419 CarbonylContact C-O 3.58Å; R406-W419 WeakPolarHBondContact CA-O 3.44Å |
| 407 | I | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.9 | 165.9 | -70.5 | 170.1 | 0 | 0 | 0 | 108.7 | L352 L364 I398 K399 L400 W419 I421 | L352-I407 HydrophobicContact CD1-CD1 4.41Å; L364-I407 HydrophobicContact CD1-CD1 4.01Å; L364-I407 HydrophobicContact CD2-CB 4.07Å; L364-I407 HydrophobicContact CD2-CD1 3.98Å; L364-I407 HydrophobicContact CD2-CG2 3.92Å; I398-I407 HydrophobicContact CD1-CG2 3.85Å; I398-I407 HydrophobicContact CG1-CG2 3.92Å; K399-I407 WeakPolarHBondContact O-CA 3.49Å; L400-I407 HydrophobicContact CD1-CD1 4.15Å; L400-I407 HydrophobicContact CD1-CG1 3.59Å; I407-W419 HydrophobicContact CB-CB 4.48Å; I407-W419 PolarHBondContact N-O 2.85Å; I407-W419 PolarHBondContact O-N 2.98Å; I407-I421 HydrophobicContact CD1-CD1 3.97Å; I407-I421 HydrophobicContact CD1-CG2 4.19Å; I407-I421 HydrophobicContact CG1-CD1 4.02Å |
| 408 | I | 95.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.7 | 176 | -54.7 | 84.4 | 0 | 0 | 0 | 108.3 | I48 F61 I398 K399 R406 F410 I416 V418 | I48-I408 HydrophobicContact CD1-CB 3.99Å; I48-I408 HydrophobicContact CD1-CD1 3.72Å; I48-I408 HydrophobicContact CD1-CG1 3.58Å; I48-I408 HydrophobicContact CD1-CG2 4.08Å; F61-I408 HydrophobicContact CE2-CG2 4.38Å; I398-I408 WeakPolarHBondContact CA-O 3.48Å; K399-I408 PolarHBondContact N-O 3.07Å; K399-I408 PolarHBondContact O-N 2.99Å; R406-I408 HydrophobicContact CB-CD1 4.41Å; I408-F410 HydrophobicContact CG2-CD2 4.25Å; I408-F410 HydrophobicContact CG2-CE2 3.68Å; I408-F410 HydrophobicContact CG2-CZ 4.27Å; I408-I416 HydrophobicContact CG2-CG2 3.87Å; I408-V418 HydrophobicContact CG1-CG1 4.3Å; I408-V418 HydrophobicContact CG1-CG2 4.12Å; I408-V418 HydrophobicContact CG2-CG2 4.29Å |
| 409 | C | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.1 | 177.6 | -66.9 | 0 | 0 | 0 | 0 | 110.4 | Y411 I416 H417 | C409-Y411 HydrophobicContact CB-CD2 4.25Å; C409-Y411 HydrophobicContact CB-CE2 3.38Å; C409-Y411 WeakPolarHBondContact CB-OH 3.43Å; C409-Y411 WeakPolarHBondContact O-CE2 3.36Å; C409-I416 WeakPolarHBondContact O-CA 3.14Å; C409-H417 PolarHBondContact N-O 2.93Å; C409-H417 PolarHBondContact O-N 2.86Å |
| 410 | F | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.1 | 169.8 | -65.3 | -104.5 | 0 | 0 | 0 | 108.8 | F31 L33 V39 I48 H50 I396 A397 I408 I416 | F31-F410 HydrophobicContact CD1-CD1 4.07Å; F31-F410 HydrophobicContact CD1-CE1 4.43Å; F31-F410 AromaticContact CE1-CD1 3.75Å; F31-F410 HydrophobicContact CE1-CD1 3.75Å; F31-F410 HydrophobicContact CE1-CE1 4.5Å; F31-F410 HydrophobicContact CZ-CB 4.32Å; F31-F410 HydrophobicContact CZ-CD1 4.08Å; L33-F410 HydrophobicContact CD1-CB 4.26Å; L33-F410 HydrophobicContact CD1-CD1 3.3Å; L33-F410 HydrophobicContact CD1-CE1 3.71Å; L33-F410 HydrophobicContact CD1-CG 3.88Å; V39-F410 HydrophobicContact CG1-CE2 3.85Å; V39-F410 HydrophobicContact CG1-CZ 4.06Å; V39-F410 HydrophobicContact CG2-CD2 4.42Å; V39-F410 HydrophobicContact CG2-CE2 4.29Å; V39-F410 HydrophobicContact CG2-CZ 4.38Å; I48-F410 HydrophobicContact CG2-CZ 4.06Å; H50-F410 HydrophobicContact CB-CE1 4.49Å; I396-F410 HydrophobicContact CG1-CB 4.08Å; I396-F410 VanDerWaalsContact CG1-O 3.3Å; I396-F410 WeakPolarHBondContact CG1-O 3.45Å; I396-F410 PolarHBondContact N-O 2.86Å; A397-F410 HydrophobicContact CB-CB 4.19Å; A397-F410 HydrophobicContact CB-CD2 4.31Å; A397-F410 HydrophobicContact CB-CG 4.49Å; A397-F410 PolarHBondContact N-O 2.85Å; A397-F410 PolarHBondContact O-N 3.49Å; I408-F410 HydrophobicContact CG2-CD2 4.25Å; I408-F410 HydrophobicContact CG2-CE2 3.68Å; I408-F410 HydrophobicContact CG2-CZ 4.27Å; F410-I416 HydrophobicContact CD1-CD1 3.91Å; F410-I416 HydrophobicContact CD1-CG1 3.74Å; F410-I416 HydrophobicContact CE1-CD1 3.5Å; F410-I416 VanDerWaalsContact CE1-CD1 3.5Å; F410-I416 HydrophobicContact CE1-CG1 3.87Å; F410-I416 HydrophobicContact CE1-CG2 4.41Å; F410-I416 HydrophobicContact CZ-CD1 4.3Å |
| 411 | Y | 93.5 | Very high | 91 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 159.5 | -171.3 | -63.7 | -95.1 | 0 | 0 | 0 | 112.5 | P367 P393 D394 I395 C409 D413 H414 S415 H417 | P367-Y411 HydrophobicContact CB-CD1 4.26Å; P367-Y411 HydrophobicContact CB-CE1 3.73Å; P367-Y411 HydrophobicContact CG-CD1 4.04Å; P367-Y411 HydrophobicContact CG-CE1 3.54Å; P393-Y411 HydrophobicContact CB-CD1 4.44Å; P393-Y411 HydrophobicContact CG-CD1 4.09Å; P393-Y411 HydrophobicContact CG-CG 4.47Å; D394-Y411 CarbonylContact O-C 3.26Å; D394-Y411 VanDerWaalsContact O-CA 3.29Å; D394-Y411 WeakPolarHBondContact O-CA 3.43Å; I395-Y411 HydrophobicContact CD1-CE1 4.09Å; I395-Y411 HydrophobicContact CG1-CD1 3.78Å; I395-Y411 HydrophobicContact CG1-CE1 3.46Å; I395-Y411 VanDerWaalsContact CG1-CE1 3.46Å; C409-Y411 HydrophobicContact CB-CD2 4.25Å; C409-Y411 HydrophobicContact CB-CE2 3.38Å; C409-Y411 WeakPolarHBondContact CB-OH 3.43Å; C409-Y411 WeakPolarHBondContact O-CE2 3.36Å; Y411-D413 WeakPolarHBondContact CB-OD1 3.33Å; Y411-D413 PolarHBondContact O-N 3.42Å; Y411-H414 PolarHBondContact O-N 3.26Å; Y411-H414 VanDerWaalsContact O-N 3.15Å; Y411-S415 WeakPolarHBondContact CB-OG 3.37Å; Y411-S415 WeakPolarHBondContact CD2-OG 3.3Å; Y411-S415 PolarHBondContact N-O 3.48Å; Y411-H417 AromaticContact CD2-ND1 3.66Å; Y411-H417 HydrophobicContact CE2-CB 3.83Å; Y411-H417 AromaticContact CE2-CG 3.74Å; Y411-H417 AromaticContact CE2-ND1 3.34Å; Y411-H417 VanDerWaalsContact CE2-ND1 3.34Å; Y411-H417 WeakPolarHBondContact CE2-ND1 3.46Å |
| 412 | N | 89.8 | Confident | 91 | Very high | 27 Ų | 27 | 25.1 Ų | 25.1 | 14% | 0.144 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10.8 | -178 | 73.3 | -8.6 | 0 | 0 | 0 | 114.4 | P393 D394 I396 H414 L1464 | P393-N412 WeakPolarHBondContact CA-OD1 3.15Å; P393-N412 WeakPolarHBondContact CB-OD1 3.38Å; D394-N412 HydrophobicContact CB-CB 4.31Å; D394-N412 WeakPolarHBondContact CB-ND2 3.3Å; D394-N412 VanDerWaalsContact N-CG 3.32Å; D394-N412 PolarHBondContact N-ND2 3.24Å; D394-N412 PolarHBondContact N-OD1 3.28Å; D394-N412 PolarHBondContact O-N 2.83Å; I396-N412 HydrophobicContact CG2-CB 3.82Å; N412-H414 VanDerWaalsContact C-N 3.27Å; N412-L1464 HydrophobicContact CB-CD2 3.91Å; N412-L1464 WeakPolarHBondContact ND2-CD2 3.49Å |
| 413 | D | 84.8 | Confident | 91.1 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 11% | 0.112 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 7.6 | 170.8 | 71.8 | -20.5 | 0 | 0 | 0 | 113.3 | P393 Y411 S415 S437 | P393-D413 HydrophobicContact CB-CB 3.92Å; P393-D413 HydrophobicContact CG-CB 4.47Å; Y411-D413 WeakPolarHBondContact CB-OD1 3.33Å; Y411-D413 PolarHBondContact O-N 3.42Å; D413-S415 PolarHBondContact O-N 3.2Å; D413-S415 VanDerWaalsContact OD1-CB 3.24Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.33Å; D413-S415 PolarHBondContact OD1-OG 2.77Å; D413-S415 PolarHBondContact OD2-OG 3.31Å; D413-S437 WeakPolarHBondContact O-CB 3.12Å |
| 414 | H | 90.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 62 | 22.6 | -172.8 | -69 | -172.9 | 0 | 0 | 0 | 115.3 | F31 Y411 N412 Y435 H436 S903 L1463 | F31-H414 AromaticContact CD2-CD2 3.86Å; F31-H414 AromaticContact CD2-NE2 3.94Å; F31-H414 HydrophobicContact CE1-CB 4.41Å; F31-H414 HydrophobicContact CE2-CB 4.33Å; F31-H414 AromaticContact CE2-CD2 3.27Å; F31-H414 WeakPolarHBondContact CE2-CD2 3.41Å; F31-H414 AromaticContact CE2-CG 3.88Å; F31-H414 AromaticContact CE2-NE2 3.71Å; F31-H414 HydrophobicContact CZ-CB 4.14Å; F31-H414 AromaticContact CZ-CD2 3.83Å; F31-H414 PolarHBondContact O-CE1 3.46Å; Y411-H414 PolarHBondContact O-N 3.26Å; Y411-H414 VanDerWaalsContact O-N 3.15Å; N412-H414 VanDerWaalsContact C-N 3.27Å; H414-Y435 WeakPolarHBondContact O-CB 3.33Å; H414-Y435 WeakPolarHBondContact O-CD2 3.42Å; H414-Y435 PolarHBondContact O-N 3.42Å; H414-H436 WeakPolarHBondContact CB-O 3.31Å; H414-H436 PolarHBondContact ND1-O 3.31Å; H414-S903 PolarHBondContact CE1-OG 3.11Å; H414-S903 PolarHBondContact ND1-OG 2.9Å; H414-S903 VanDerWaalsContact ND1-OG 3.1Å; H414-L1463 VanDerWaalsContact CE1-CD1 3.42Å; H414-L1463 WeakPolarHBondContact CE1-CD1 3.35Å; H414-L1463 VanDerWaalsContact NE2-CD1 3.28Å; H414-L1463 WeakPolarHBondContact NE2-CD1 3.31Å; H414-L1463 VanDerWaalsContact NE2-CD2 3.33Å; H414-L1463 WeakPolarHBondContact NE2-CD2 3.24Å |
| 415 | S | 90.2 | Very high | 91 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 153.8 | 163.5 | 73.9 | 0 | 0 | 0 | 0 | 112.6 | Y411 D413 H417 H433 | Y411-S415 WeakPolarHBondContact CB-OG 3.37Å; Y411-S415 WeakPolarHBondContact CD2-OG 3.3Å; Y411-S415 PolarHBondContact N-O 3.48Å; D413-S415 PolarHBondContact O-N 3.2Å; D413-S415 VanDerWaalsContact OD1-CB 3.24Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.33Å; D413-S415 PolarHBondContact OD1-OG 2.77Å; D413-S415 PolarHBondContact OD2-OG 3.31Å; S415-H417 PolarHBondContact OG-CE1 2.97Å; S415-H433 CarbonylContact C-O 3.56Å; S415-H433 WeakPolarHBondContact CA-O 3.43Å; S415-H433 WeakPolarHBondContact CB-O 3.22Å |
| 416 | I | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.8 | 168.2 | -51.9 | 178.1 | 0 | 0 | 0 | 107 | F31 F61 I408 C409 F410 S432 H433 Y435 | F31-I416 HydrophobicContact CD1-CD1 4.05Å; F31-I416 HydrophobicContact CD1-CG1 4.07Å; F31-I416 HydrophobicContact CE1-CD1 4.13Å; F31-I416 HydrophobicContact CE1-CG1 3.62Å; F61-I416 HydrophobicContact CE1-CG2 4.25Å; F61-I416 HydrophobicContact CZ-CD1 4.28Å; F61-I416 HydrophobicContact CZ-CG2 4.15Å; I408-I416 HydrophobicContact CG2-CG2 3.87Å; C409-I416 WeakPolarHBondContact O-CA 3.14Å; F410-I416 HydrophobicContact CD1-CD1 3.91Å; F410-I416 HydrophobicContact CD1-CG1 3.74Å; F410-I416 HydrophobicContact CE1-CD1 3.5Å; F410-I416 VanDerWaalsContact CE1-CD1 3.5Å; F410-I416 HydrophobicContact CE1-CG1 3.87Å; F410-I416 HydrophobicContact CE1-CG2 4.41Å; F410-I416 HydrophobicContact CZ-CD1 4.3Å; I416-S432 CarbonylContact O-C 3.58Å; I416-S432 VanDerWaalsContact O-CA 3.24Å; I416-S432 WeakPolarHBondContact O-CA 3.41Å; I416-H433 HydrophobicContact CB-CB 4.32Å; I416-H433 PolarHBondContact N-O 2.57Å; I416-H433 PolarHBondContact O-N 3.48Å; I416-Y435 HydrophobicContact CD1-CE2 3.8Å; I416-Y435 HydrophobicContact CG1-CE2 4.26Å |
| 417 | H | 90.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.1 | 170.2 | -62.7 | 56.9 | 0 | 0 | 0 | 109.6 | C409 Y411 S415 W419 Y434 | C409-H417 PolarHBondContact N-O 2.93Å; C409-H417 PolarHBondContact O-N 2.86Å; Y411-H417 AromaticContact CD2-ND1 3.66Å; Y411-H417 HydrophobicContact CE2-CB 3.83Å; Y411-H417 AromaticContact CE2-CG 3.74Å; Y411-H417 AromaticContact CE2-ND1 3.34Å; Y411-H417 VanDerWaalsContact CE2-ND1 3.34Å; Y411-H417 WeakPolarHBondContact CE2-ND1 3.46Å; S415-H417 PolarHBondContact OG-CE1 2.97Å; H417-W419 HydrophobicContact CB-CZ2 4.05Å; H417-W419 AromaticContact CD2-CZ2 3.87Å; H417-Y434 AromaticContact CE1-CE1 3.64Å; H417-Y434 AromaticContact NE2-CE1 3.89Å; H417-Y434 PolarHBondContact NE2-OH 3.49Å |
| 418 | V | 91.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.7 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | F61 R406 I408 K429 C430 R431 | F61-V418 HydrophobicContact CB-CG2 4.28Å; F61-V418 HydrophobicContact CD1-CG2 3.94Å; F61-V418 HydrophobicContact CE1-CG2 4.34Å; F61-V418 HydrophobicContact CG-CG2 4.04Å; R406-V418 HydrophobicContact CB-CG1 4.49Å; R406-V418 HydrophobicContact CG-CG1 4.41Å; I408-V418 HydrophobicContact CG1-CG1 4.3Å; I408-V418 HydrophobicContact CG1-CG2 4.12Å; I408-V418 HydrophobicContact CG2-CG2 4.29Å; V418-K429 CarbonylContact O-C 3.55Å; V418-C430 HydrophobicContact CB-CB 4.27Å; V418-C430 HydrophobicContact CG1-CB 4.02Å; V418-C430 WeakPolarHBondContact O-CB 3.38Å; V418-C430 PolarHBondContact O-N 2.8Å; V418-R431 HydrophobicContact CB-CB 4.29Å; V418-R431 HydrophobicContact CG2-CB 4.45Å; V418-R431 PolarHBondContact N-O 3.22Å; V418-R431 PolarHBondContact O-N 3.02Å |
| 419 | W | 91.9 | Very high | 89.3 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.1 | -176.9 | -58.3 | 96.5 | 0 | 0 | 0 | 110.7 | L364 P365 R406 I407 H417 I427 N428 K429 | L364-W419 HydrophobicContact CD2-CB 3.91Å; L364-W419 HydrophobicContact CD2-CD2 4.3Å; L364-W419 HydrophobicContact CD2-CG 3.69Å; P365-W419 HydrophobicContact CB-CH2 3.82Å; P365-W419 HydrophobicContact CB-CZ3 3.74Å; P365-W419 HydrophobicContact CG-CE3 4.36Å; P365-W419 HydrophobicContact CG-CH2 4.34Å; P365-W419 HydrophobicContact CG-CZ3 3.76Å; R406-W419 CarbonylContact C-O 3.58Å; R406-W419 WeakPolarHBondContact CA-O 3.44Å; I407-W419 HydrophobicContact CB-CB 4.48Å; I407-W419 PolarHBondContact N-O 2.85Å; I407-W419 PolarHBondContact O-N 2.98Å; H417-W419 HydrophobicContact CB-CZ2 4.05Å; H417-W419 AromaticContact CD2-CZ2 3.87Å; W419-I427 HydrophobicContact CE3-CG2 4.34Å; W419-N428 CarbonylContact C-O 3.59Å; W419-N428 WeakPolarHBondContact CA-O 3.37Å; W419-K429 HydrophobicContact CE3-CB 3.9Å; W419-K429 HydrophobicContact CE3-CG 4.34Å; W419-K429 HydrophobicContact CH2-CB 4.41Å; W419-K429 HydrophobicContact CZ3-CB 3.75Å; W419-K429 HydrophobicContact CZ3-CG 4.27Å |
| 420 | D | 90.4 | Very high | 88.6 | Confident | 42 Ų | 42 | 33 Ų | 33 | 23% | 0.225 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132 | 170 | -156.3 | -58.9 | 0 | 0 | 0 | 109.7 | H422 I427 N428 C430 | D420-H422 VanDerWaalsContact OD1-CB 3.29Å; D420-H422 WeakPolarHBondContact OD1-CB 3.24Å; D420-H422 IonicContact OD1-CE1 3.2Å; D420-H422 IonicContact OD1-CG 2.75Å; D420-H422 PolarHBondContact OD1-N 2.74Å; D420-H422 IonicContact OD1-ND1 3.22Å; D420-H422 PolarHBondContact OD1-ND1 2.54Å; D420-H422 IonicContact OD2-CE1 2.68Å; D420-H422 IonicContact OD2-ND1 2.81Å; D420-H422 PolarHBondContact OD2-ND1 3.08Å; D420-I427 WeakPolarHBondContact O-CG2 3.49Å; D420-N428 HydrophobicContact CB-CB 4.49Å; D420-N428 PolarHBondContact N-O 2.65Å; D420-N428 PolarHBondContact O-N 3.44Å; D420-C430 VanDerWaalsContact CB-SG 3.57Å; D420-C430 PolarHBondContact N-SG 3.11Å; D420-C430 VanDerWaalsContact N-SG 3.43Å |
| 421 | I | 91.2 | Very high | 88 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -127.6 | 23.7 | 176 | 61.9 | 165.9 | 0 | 0 | 0 | 112.6 | W340 L400 N405 I407 D423 L424 I427 | W340-I421 HydrophobicContact CE3-CD1 4.28Å; W340-I421 HydrophobicContact CZ3-CD1 3.93Å; L400-I421 HydrophobicContact CD1-CD1 3.76Å; N405-I421 VanDerWaalsContact C-CG1 3.42Å; N405-I421 HydrophobicContact CB-CG1 4.11Å; N405-I421 VanDerWaalsContact O-CG1 3.29Å; N405-I421 WeakPolarHBondContact O-CG1 3.4Å; N405-I421 PolarHBondContact O-N 3.15Å; I407-I421 HydrophobicContact CD1-CD1 3.97Å; I407-I421 HydrophobicContact CD1-CG2 4.19Å; I407-I421 HydrophobicContact CG1-CD1 4.02Å; I421-D423 PolarHBondContact O-N 3.06Å; I421-L424 HydrophobicContact CB-CD2 4.12Å; I421-I427 HydrophobicContact CG2-CD1 4.33Å; I421-I427 HydrophobicContact CG2-CG1 4.3Å; I421-I427 HydrophobicContact CG2-CG2 4.28Å | ||
| 422 | H | 89.2 | Confident | 87.5 | Confident | 121 Ų | 121 | 34.9 Ų | 34.9 | 56% | 0.56 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -58.2 | -36.2 | 170.4 | -76.1 | 94.6 | 0 | 0 | 0 | 112 | R404 N405 D420 | R404-H422 PolarHBondContact O-CE1 2.88Å; N405-H422 HydrophobicContact CB-CB 4.41Å; N405-H422 PolarHBondContact ND2-CD2 2.99Å; N405-H422 PolarHBondContact ND2-NE2 3.43Å; D420-H422 VanDerWaalsContact OD1-CB 3.29Å; D420-H422 WeakPolarHBondContact OD1-CB 3.24Å; D420-H422 IonicContact OD1-CE1 3.2Å; D420-H422 IonicContact OD1-CG 2.75Å; D420-H422 PolarHBondContact OD1-N 2.74Å; D420-H422 IonicContact OD1-ND1 3.22Å; D420-H422 PolarHBondContact OD1-ND1 2.54Å; D420-H422 IonicContact OD2-CE1 2.68Å; D420-H422 IonicContact OD2-ND1 2.81Å; D420-H422 PolarHBondContact OD2-ND1 3.08Å |
| 423 | D | 86.5 | Confident | 87.4 | Confident | 61 Ų | 61 | 33.8 Ų | 33.8 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -122.1 | 112.2 | 170.7 | 175.1 | 17.4 | 0 | 0 | 0 | 109.6 | I421 T425 T426 I427 | I421-D423 PolarHBondContact O-N 3.06Å; D423-T425 VanDerWaalsContact CG-OG1 3.23Å; D423-T425 PolarHBondContact O-N 3.12Å; D423-T425 WeakPolarHBondContact OD1-CA 3.28Å; D423-T425 WeakPolarHBondContact OD1-CB 3.33Å; D423-T425 PolarHBondContact OD1-N 3.25Å; D423-T425 PolarHBondContact OD1-OG1 3.34Å; D423-T425 PolarHBondContact OD2-OG1 3.09Å; D423-T426 CarbonylContact O-C 3.54Å; D423-T426 VanDerWaalsContact O-C 3.26Å; D423-T426 PolarHBondContact O-N 2.82Å; D423-T426 WeakPolarHBondContact OD2-CB 3.34Å; D423-T426 PolarHBondContact OD2-N 2.9Å; D423-T426 PolarHBondContact OD2-OG1 3.12Å; D423-I427 PolarHBondContact O-N 3.08Å |
| 424 | L | 87.4 | Confident | 87.5 | Confident | 63 Ų | 63 | 33.4 Ų | 33.4 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.8 | 178.8 | -64.4 | 168 | 0 | 0 | 0 | 113 | W340 L352 I361 A362 I421 I427 | W340-L424 HydrophobicContact CH2-CD1 4.21Å; L352-L424 HydrophobicContact CD2-CD2 3.74Å; I361-L424 HydrophobicContact CG2-CD1 3.61Å; I361-L424 HydrophobicContact CG2-CD2 4.35Å; A362-L424 HydrophobicContact CB-CD2 4.42Å; I421-L424 HydrophobicContact CB-CD2 4.12Å; L424-I427 HydrophobicContact CD2-CD1 4.48Å |
| 425 | T | 86.6 | Confident | 87.5 | Confident | 124 Ų | 124 | 34 Ų | 34 | 76% | 0.761 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -22.3 | 171.6 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | D423 | D423-T425 VanDerWaalsContact CG-OG1 3.23Å; D423-T425 PolarHBondContact O-N 3.12Å; D423-T425 WeakPolarHBondContact OD1-CA 3.28Å; D423-T425 WeakPolarHBondContact OD1-CB 3.33Å; D423-T425 PolarHBondContact OD1-N 3.25Å; D423-T425 PolarHBondContact OD1-OG1 3.34Å; D423-T425 PolarHBondContact OD2-OG1 3.09Å |
| 426 | T | 84.2 | Confident | 87.5 | Confident | 81 Ų | 81 | 34.1 Ų | 34.1 | 50% | 0.497 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -132.3 | 60.7 | 177.6 | 64.7 | 0 | 0 | 0 | 0 | 112 | D423 N428 | D423-T426 CarbonylContact O-C 3.54Å; D423-T426 VanDerWaalsContact O-C 3.26Å; D423-T426 PolarHBondContact O-N 2.82Å; D423-T426 WeakPolarHBondContact OD2-CB 3.34Å; D423-T426 PolarHBondContact OD2-N 2.9Å; D423-T426 PolarHBondContact OD2-OG1 3.12Å; T426-N428 PolarHBondContact O-N 3.38Å; T426-N428 VanDerWaalsContact O-N 3.07Å; T426-N428 PolarHBondContact O-ND2 3.43Å |
| 427 | I | 86.7 | Confident | 87.4 | Confident | 25 Ų | 25 | 35.1 Ų | 35.1 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | trans | -60.7 | 112.7 | 174.3 | -62.8 | 179.9 | 0 | 0 | 0 | 109.6 | A362 L364 P365 W419 D420 I421 D423 L424 | A362-I427 HydrophobicContact CB-CD1 3.89Å; L364-I427 HydrophobicContact CD1-CD1 4.35Å; L364-I427 HydrophobicContact CG-CD1 4.35Å; L364-I427 HydrophobicContact CG-CG2 4.14Å; P365-I427 HydrophobicContact CG-CG2 4.37Å; W419-I427 HydrophobicContact CE3-CG2 4.34Å; D420-I427 WeakPolarHBondContact O-CG2 3.49Å; I421-I427 HydrophobicContact CG2-CD1 4.33Å; I421-I427 HydrophobicContact CG2-CG1 4.3Å; I421-I427 HydrophobicContact CG2-CG2 4.28Å; D423-I427 PolarHBondContact O-N 3.08Å; L424-I427 HydrophobicContact CD2-CD1 4.48Å | ||
| 428 | N | 81 | Confident | 87.3 | Confident | 48 Ų | 48 | 40 Ų | 40 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 155 | -175.7 | -86 | -75.4 | 0 | 0 | 0 | 111.5 | W419 D420 T426 | W419-N428 CarbonylContact C-O 3.59Å; W419-N428 WeakPolarHBondContact CA-O 3.37Å; D420-N428 HydrophobicContact CB-CB 4.49Å; D420-N428 PolarHBondContact N-O 2.65Å; D420-N428 PolarHBondContact O-N 3.44Å; T426-N428 PolarHBondContact O-N 3.38Å; T426-N428 VanDerWaalsContact O-N 3.07Å; T426-N428 PolarHBondContact O-ND2 3.43Å |
| 429 | K | 84.6 | Confident | 87.2 | Confident | 39 Ų | 39 | 40.2 Ų | 40.2 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 111 | 172.8 | -170 | -179 | 69.7 | 164.7 | 0 | 109.2 | V418 W419 S432 Y434 | V418-K429 CarbonylContact O-C 3.55Å; W419-K429 HydrophobicContact CE3-CB 3.9Å; W419-K429 HydrophobicContact CE3-CG 4.34Å; W419-K429 HydrophobicContact CH2-CB 4.41Å; W419-K429 HydrophobicContact CZ3-CB 3.75Å; W419-K429 HydrophobicContact CZ3-CG 4.27Å; K429-S432 WeakPolarHBondContact CE-OG 3.43Å; K429-S432 PolarHBondContact NZ-OG 3.14Å; K429-Y434 PolarHBondContact NZ-OH 3.17Å; K429-Y434 VanDerWaalsContact NZ-OH 3.17Å |
| 430 | C | 82.7 | Confident | 87.5 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | -52 | 174.7 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | V418 D420 | V418-C430 HydrophobicContact CB-CB 4.27Å; V418-C430 HydrophobicContact CG1-CB 4.02Å; V418-C430 WeakPolarHBondContact O-CB 3.38Å; V418-C430 PolarHBondContact O-N 2.8Å; D420-C430 VanDerWaalsContact CB-SG 3.57Å; D420-C430 PolarHBondContact N-SG 3.11Å; D420-C430 VanDerWaalsContact N-SG 3.43Å |
| 431 | R | 82.3 | Confident | 87.8 | Confident | 41 Ų | 41 | 39.5 Ų | 39.5 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 152.6 | -170.1 | -61.6 | -172.9 | -177.8 | 172.2 | 6 | 110.4 | F61 E62 E64 V418 T531 | F61-R431 VanDerWaalsContact C-NH1 3.34Å; F61-R431 PolarHBondContact O-NH1 3.49Å; F61-R431 VanDerWaalsContact O-NH1 3.1Å; E62-R431 VanDerWaalsContact C-NH1 3.3Å; E62-R431 PolarHBondContact O-NH1 2.79Å; E62-R431 PolarHBondContact O-NH2 3.44Å; E64-R431 WeakPolarHBondContact OE1-CD 3.43Å; E64-R431 IonicContact OE1-CZ 2.68Å; E64-R431 IonicContact OE1-NE 3.95Å; E64-R431 IonicContact OE1-NH1 3.25Å; E64-R431 PolarHBondContact OE1-NH1 3.01Å; V418-R431 HydrophobicContact CB-CB 4.29Å; V418-R431 HydrophobicContact CG2-CB 4.45Å; V418-R431 PolarHBondContact N-O 3.22Å; V418-R431 PolarHBondContact O-N 3.02Å; R431-T531 HydrophobicContact CB-CG2 4.06Å |
| 432 | S | 84 | Confident | 88 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 137.9 | 168.3 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | I416 K429 Y434 T531 | I416-S432 CarbonylContact O-C 3.58Å; I416-S432 VanDerWaalsContact O-CA 3.24Å; I416-S432 WeakPolarHBondContact O-CA 3.41Å; K429-S432 WeakPolarHBondContact CE-OG 3.43Å; K429-S432 PolarHBondContact NZ-OG 3.14Å; S432-Y434 WeakPolarHBondContact CB-OH 3.29Å; S432-Y434 WeakPolarHBondContact OG-CE2 3.23Å; S432-Y434 PolarHBondContact OG-OH 2.9Å; S432-T531 PolarHBondContact O-N 3.13Å; S432-T531 PolarHBondContact O-OG1 3.47Å |
| 433 | H | 86.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.8 | 171.7 | -51.4 | -91.9 | 0 | 0 | 0 | 109.1 | F61 E64 S415 I416 Y435 T531 | F61-H433 AromaticContact CD1-NE2 3.44Å; F61-H433 WeakPolarHBondContact CD1-NE2 3.32Å; F61-H433 AromaticContact CE1-CD2 3.72Å; F61-H433 AromaticContact CE1-NE2 3.28Å; F61-H433 VanDerWaalsContact CE1-NE2 3.28Å; F61-H433 WeakPolarHBondContact CE1-NE2 3.36Å; E64-H433 IonicContact OE2-CE1 3.49Å; E64-H433 PolarHBondContact OE2-CE1 3.4Å; E64-H433 VanDerWaalsContact OE2-CE1 3.27Å; E64-H433 IonicContact OE2-NE2 3.4Å; S415-H433 CarbonylContact C-O 3.56Å; S415-H433 WeakPolarHBondContact CA-O 3.43Å; S415-H433 WeakPolarHBondContact CB-O 3.22Å; I416-H433 HydrophobicContact CB-CB 4.32Å; I416-H433 PolarHBondContact N-O 2.57Å; I416-H433 PolarHBondContact O-N 3.48Å; H433-Y435 HydrophobicContact CB-CE1 3.92Å; H433-Y435 HydrophobicContact CB-CE2 4.14Å; H433-T531 WeakPolarHBondContact CE1-CG2 3.32Å; H433-T531 WeakPolarHBondContact ND1-CG2 3.46Å; H433-T531 PolarHBondContact ND1-OG1 3.07Å; H433-T531 VanDerWaalsContact ND1-OG1 3.16Å |
| 434 | Y | 87.3 | Confident | 88.9 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 91.5 | -177.8 | -59.7 | -71 | 0 | 0 | 0 | 109.8 | L370 H417 K429 S432 R490 L534 | L370-Y434 HydrophobicContact CD1-CD1 3.81Å; L370-Y434 HydrophobicContact CD1-CG 4.43Å; L370-Y434 HydrophobicContact CD2-CD1 4.29Å; L370-Y434 HydrophobicContact CG-CD1 4.31Å; H417-Y434 AromaticContact CE1-CE1 3.64Å; H417-Y434 AromaticContact NE2-CE1 3.89Å; H417-Y434 PolarHBondContact NE2-OH 3.49Å; K429-Y434 PolarHBondContact NZ-OH 3.17Å; K429-Y434 VanDerWaalsContact NZ-OH 3.17Å; S432-Y434 WeakPolarHBondContact CB-OH 3.29Å; S432-Y434 WeakPolarHBondContact OG-CE2 3.23Å; S432-Y434 PolarHBondContact OG-OH 2.9Å; Y434-R490 VanDerWaalsContact C-NH1 3.3Å; Y434-R490 PolarHBondContact O-NH1 2.85Å; Y434-L534 HydrophobicContact CD2-CD2 4.34Å |
| 435 | Y | 91.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | trans | -91.2 | 168.9 | 179.3 | -48.4 | -47.8 | 0 | 0 | 0 | 111.9 | I29 F31 H414 I416 H433 R490 W492 | I29-Y435 HydrophobicContact CB-CD1 4.46Å; I29-Y435 HydrophobicContact CB-CE1 4.35Å; I29-Y435 HydrophobicContact CG2-CD1 3.48Å; I29-Y435 VanDerWaalsContact CG2-CD1 3.48Å; I29-Y435 HydrophobicContact CG2-CE1 3.66Å; F31-Y435 AromaticContact CD1-CD2 3.89Å; F31-Y435 HydrophobicContact CD1-CD2 3.89Å; F31-Y435 HydrophobicContact CD1-CE2 4.09Å; F31-Y435 HydrophobicContact CE1-CD2 4.26Å; H414-Y435 WeakPolarHBondContact O-CB 3.33Å; H414-Y435 WeakPolarHBondContact O-CD2 3.42Å; H414-Y435 PolarHBondContact O-N 3.42Å; I416-Y435 HydrophobicContact CD1-CE2 3.8Å; I416-Y435 HydrophobicContact CG1-CE2 4.26Å; H433-Y435 HydrophobicContact CB-CE1 3.92Å; H433-Y435 HydrophobicContact CB-CE2 4.14Å; Y435-R490 VanDerWaalsContact O-CZ 3.25Å; Y435-R490 PolarHBondContact O-NH1 2.83Å; Y435-R490 PolarHBondContact O-NH2 3.37Å; Y435-R490 VanDerWaalsContact O-NH2 3.12Å; Y435-W492 HydrophobicContact CD1-CH2 4.44Å | ||
| 436 | H | 90.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | trans | -68.7 | 139.5 | 173.5 | -77.9 | -72.5 | 0 | 0 | 0 | 110.8 | H414 I440 T482 S484 D486 T488 R490 S903 | H414-H436 WeakPolarHBondContact CB-O 3.31Å; H414-H436 PolarHBondContact ND1-O 3.31Å; H436-I440 HydrophobicContact CB-CD1 3.95Å; H436-I440 HydrophobicContact CB-CG1 3.82Å; H436-T482 PolarHBondContact NE2-OG1 3.39Å; H436-S484 WeakPolarHBondContact ND1-CB 3.42Å; H436-D486 WeakPolarHBondContact CA-OD2 3.46Å; H436-D486 IonicContact CE1-OD1 2.73Å; H436-D486 IonicContact CE1-OD2 3.17Å; H436-D486 IonicContact CG-OD2 3.53Å; H436-D486 IonicContact ND1-OD1 3.68Å; H436-D486 PolarHBondContact ND1-OD1 3.37Å; H436-D486 IonicContact ND1-OD2 3.04Å; H436-D486 PolarHBondContact ND1-OD2 3.07Å; H436-T488 PolarHBondContact CE1-OG1 3.02Å; H436-T488 PolarHBondContact ND1-OG1 2.81Å; H436-R490 PolarHBondContact CE1-NE 2.94Å; H436-R490 PolarHBondContact ND1-NE 3.2Å; H436-S903 WeakPolarHBondContact O-CB 3.31Å | ||
| 437 | S | 89.2 | Confident | 88.4 | Confident | 22 Ų | 22 | 24 Ų | 24 | 15% | 0.154 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -91.4 | -8.5 | -179.3 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | D413 D486 | D413-S437 WeakPolarHBondContact O-CB 3.12Å; S437-D486 PolarHBondContact N-OD2 2.96Å; S437-D486 VanDerWaalsContact OG-CB 3.27Å; S437-D486 WeakPolarHBondContact OG-CB 3.45Å |
| 438 | R | 89.5 | Confident | 87.2 | Confident | 102 Ų | 102 | 24.9 Ų | 24.9 | 39% | 0.385 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -141.1 | 174.1 | -176.1 | -65.4 | -176.4 | 157.7 | -161.2 | -6.6 | 111.3 | I440 S484 D485 D486 S903 | R438-I440 PolarHBondContact O-N 3.47Å; R438-S484 PolarHBondContact O-OG 2.97Å; R438-S484 VanDerWaalsContact O-OG 3.04Å; R438-D485 HydrophobicContact CB-CB 3.71Å; R438-D485 WeakPolarHBondContact CD-O 3.23Å; R438-D486 HydrophobicContact CB-CB 4.17Å; R438-D486 HydrophobicContact CG-CB 4.3Å; R438-S903 WeakPolarHBondContact O-CA 3.47Å; R438-S903 WeakPolarHBondContact O-CB 3.43Å |
| 439 | G | 90.1 | Very high | 85.8 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | trans | -52.1 | 135.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S484 D485 A901 | G439-S484 VanDerWaalsContact O-CA 3.29Å; G439-S484 WeakPolarHBondContact O-CA 3.28Å; G439-S484 WeakPolarHBondContact O-CB 3.24Å; G439-S484 PolarHBondContact O-OG 3.47Å; G439-D485 PolarHBondContact O-N 3.16Å; G439-D485 VanDerWaalsContact O-N 3.1Å; G439-A901 WeakPolarHBondContact CA-O 3.47Å | ||
| 440 | I | 96.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.2 | -179.3 | -53.3 | 171.6 | 0 | 0 | 0 | 107.7 | H436 R438 T482 C483 V899 S900 S903 I905 | H436-I440 HydrophobicContact CB-CD1 3.95Å; H436-I440 HydrophobicContact CB-CG1 3.82Å; R438-I440 PolarHBondContact O-N 3.47Å; I440-T482 HydrophobicContact CG2-CG2 4.27Å; I440-C483 CarbonylContact C-O 3.54Å; I440-C483 WeakPolarHBondContact CA-O 3.14Å; I440-C483 VanDerWaalsContact CG2-O 3.28Å; I440-C483 WeakPolarHBondContact CG2-O 3.47Å; I440-V899 HydrophobicContact CB-CB 3.96Å; I440-V899 HydrophobicContact CB-CG2 4.37Å; I440-V899 HydrophobicContact CG2-CB 3.64Å; I440-V899 HydrophobicContact CG2-CG1 4.07Å; I440-V899 HydrophobicContact CG2-CG2 3.85Å; I440-S900 PolarHBondContact N-O 3.48Å; I440-S903 WeakPolarHBondContact CD1-O 3.34Å; I440-I905 HydrophobicContact CD1-CD1 4.11Å; I440-I905 HydrophobicContact CD1-CG1 3.44Å; I440-I905 VanDerWaalsContact CD1-CG1 3.44Å |
| 441 | W | 96.1 | Very high | 81.8 | Confident | 38 Ų | 38 | 32.4 Ų | 32.4 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -33 | -165.7 | -78.4 | 85 | 0 | 0 | 0 | 114.8 | C483 D485 R642 L885 | W441-C483 PolarHBondContact N-O 2.87Å; W441-D485 PolarHBondContact NE1-OD2 2.97Å; W441-R642 VanDerWaalsContact CB-O 3.26Å; W441-R642 WeakPolarHBondContact CB-O 3.41Å; W441-R642 VanDerWaalsContact NE1-NH1 3.18Å; W441-L885 HydrophobicContact CD2-CD1 3.71Å; W441-L885 HydrophobicContact CE3-CD1 3.95Å; W441-L885 HydrophobicContact CG-CD1 4.11Å; W441-L885 HydrophobicContact CH2-CD1 4.41Å; W441-L885 HydrophobicContact CZ2-CD1 4.2Å; W441-L885 HydrophobicContact CZ3-CD1 4.29Å; W441-L885 CarbonylContact O-C 3.58Å |
| 442 | S | 96.7 | Very high | 79.6 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 160.3 | 179.3 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | T482 C483 | S442-T482 WeakPolarHBondContact O-CA 3.42Å; S442-C483 PolarHBondContact O-N 2.93Å |
| 443 | V | 97.7 | Very high | 77 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 131.9 | -179 | 53 | 0 | 0 | 0 | 0 | 109.9 | F480 V481 T482 K888 I897 V899 | V443-F480 HydrophobicContact CG2-CD2 3.91Å; V443-V481 CarbonylContact C-O 3.59Å; V443-V481 VanDerWaalsContact CA-O 3.24Å; V443-V481 WeakPolarHBondContact CA-O 3.33Å; V443-T482 HydrophobicContact CB-CG2 4.12Å; V443-T482 HydrophobicContact CG2-CG2 4.04Å; V443-K888 HydrophobicContact CG1-CB 3.98Å; V443-K888 HydrophobicContact CG2-CB 4.34Å; V443-I897 HydrophobicContact CG2-CB 4.38Å; V443-I897 HydrophobicContact CG2-CG2 4.03Å; V443-V899 HydrophobicContact CB-CG1 3.94Å; V443-V899 HydrophobicContact CB-CG2 4.11Å; V443-V899 HydrophobicContact CG1-CG1 4.09Å; V443-V899 HydrophobicContact CG1-CG2 3.84Å; V443-V899 HydrophobicContact CG2-CG1 4.41Å |
| 444 | D | 95.9 | Very high | 74.4 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 162.6 | -178.8 | -159 | 19.5 | 0 | 0 | 0 | 113.4 | F480 V481 I644 C645 I646 K888 | D444-F480 WeakPolarHBondContact O-CA 3.26Å; D444-V481 PolarHBondContact N-O 2.85Å; D444-V481 PolarHBondContact O-N 2.85Å; D444-I644 HydrophobicContact CB-CD1 4.47Å; D444-C645 WeakPolarHBondContact OD2-CA 3.45Å; D444-I646 HydrophobicContact CB-CD1 4.45Å; D444-I646 PolarHBondContact OD2-N 3.35Å; D444-K888 WeakPolarHBondContact OD1-CE 3.33Å; D444-K888 IonicContact OD1-NZ 3.38Å; D444-K888 PolarHBondContact OD1-NZ 3.02Å |
| 445 | C | 92.8 | Very high | 72 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | trans | -156.2 | 150.6 | -179.4 | 64 | 0 | 0 | 0 | 0 | 112.1 | F480 K888 L890 | C445-F480 HydrophobicContact CB-CB 4.12Å; C445-K888 WeakPolarHBondContact SG-CE 3.43Å; C445-L890 HydrophobicContact CB-CD2 4.19Å | ||
| 446 | L | 85.4 | Confident | 69.2 | Low | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | trans | -63 | 138.9 | 176.9 | -83.8 | 172 | 0 | 0 | 0 | 112.8 | L471 W475 I646 P891 | L446-L471 HydrophobicContact CD1-CD1 4.18Å; L446-W475 HydrophobicContact CB-CZ2 4.26Å; L446-W475 HydrophobicContact CD1-CD2 3.72Å; L446-W475 HydrophobicContact CD1-CE3 4.16Å; L446-W475 HydrophobicContact CD1-CG 3.94Å; L446-W475 HydrophobicContact CD1-CZ2 4.29Å; L446-W475 HydrophobicContact CG-CZ2 4.19Å; L446-I646 HydrophobicContact CD2-CG2 3.43Å; L446-I646 VanDerWaalsContact CD2-CG2 3.43Å; L446-I646 HydrophobicContact CG-CG2 3.91Å; L446-P891 WeakPolarHBondContact O-CG 3.35Å | ||
| 447 | P | 70.7 | Confident | 66.3 | Low | 66 Ų | 66 | 64.8 Ų | 64.8 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | trans | -70.7 | 147.3 | 176.3 | -18.5 | 32.3 | 0 | 0 | 0 | 114.2 | Q449 | P447-Q449 VanDerWaalsContact C-N 3.27Å; P447-Q449 PolarHBondContact O-N 2.84Å | ||
| 448 | E | 60.1 | Low | 63.6 | Low | 43 Ų | 43 | 71 Ų | 71 | 20% | 0.201 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -68.2 | -21.9 | 179.2 | -176.9 | 164.6 | -103.7 | 0 | 0 | 114.2 | W450 R451 N477 P891 | E448-W450 PolarHBondContact O-N 3.16Å; E448-R451 PolarHBondContact O-N 3.21Å; E448-N477 PolarHBondContact OE1-ND2 2.9Å; E448-P891 HydrophobicContact CB-CB 3.74Å |
| 449 | Q | 51.5 | Low | 60.8 | Low | 66 Ų | 66 | 71.3 Ų | 71.3 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -60.7 | -13.6 | -171.2 | -62.7 | -176 | -3.8 | 0 | 0 | 114.6 | P447 M791 | P447-Q449 VanDerWaalsContact C-N 3.27Å; P447-Q449 PolarHBondContact O-N 2.84Å; Q449-M791 PolarHBondContact NE2-O 2.8Å |
| 450 | W | 46.4 | Very low | 57.9 | Low | 93 Ų | 93 | 78.3 Ų | 78.3 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -88 | -0.7 | -176 | -67.2 | 98.7 | 0 | 0 | 0 | 115.7 | E448 L468 P648 | E448-W450 PolarHBondContact O-N 3.16Å; W450-L468 HydrophobicContact CE3-CD2 3.96Å; W450-L468 HydrophobicContact CZ3-CD2 4.32Å; W450-P648 HydrophobicContact CZ2-CB 3.95Å; W450-P648 WeakPolarHBondContact CZ2-O 3.39Å; W450-P648 PolarHBondContact NE1-O 3.11Å |
| 451 | R | 37.7 | Very low | 54.7 | Low | 111 Ų | 111 | 85.9 Ų | 85.9 | 42% | 0.419 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -106.9 | -18.4 | 179.8 | -69.7 | -165.8 | -179.5 | -164.5 | 2.1 | 116.3 | E448 N453 N454 W475 | E448-R451 PolarHBondContact O-N 3.21Å; R451-N453 PolarHBondContact O-N 3.38Å; R451-N454 PolarHBondContact O-N 2.81Å; R451-W475 PolarHBondContact NH2-O 2.92Å |
| 452 | Q | 35.3 | Very low | 51.7 | Low | 114 Ų | 114 | 90.4 Ų | 90.4 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 0.9 | -169.6 | -73.6 | -171.7 | -7.6 | 0 | 0 | 116.1 | ||
| 453 | N | 31 | Very low | 48.3 | Very low | 115 Ų | 115 | 97 Ų | 97 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -7 | 178.8 | -73.3 | 13 | 0 | 0 | 0 | 114.3 | R451 L468 | R451-N453 PolarHBondContact O-N 3.38Å; N453-L468 HydrophobicContact CB-CD1 4.28Å |
| 454 | N | 31.3 | Very low | 45 | Very low | 109 Ų | 109 | 104.1 Ų | 104.1 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -92.4 | -9.7 | -171.5 | -74.7 | 17.3 | 0 | 0 | 0 | 114.9 | R451 | R451-N454 PolarHBondContact O-N 2.81Š|
| 455 | D | 35.8 | Very low | 42 | Very low | 148 Ų | 148 | 108.8 Ų | 108.8 | 79% | 0.791 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -97.6 | -1.6 | -175.4 | -63.4 | -33.2 | 0 | 0 | 0 | 113.8 | ||
| 456 | N | 31.7 | Very low | 39.4 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 67% | 0.674 | 59% | 0.592 | S | S | * | * | trans | -109.5 | 114.5 | 178.1 | -70.6 | -16.7 | 0 | 0 | 0 | 110.7 | D458 | N456-D458 PolarHBondContact O-N 2.7Š| ||
| 457 | N | 29.7 | Very low | 36.9 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | trans | -79.4 | 12.5 | -173.9 | -102.4 | -23.7 | 0 | 0 | 0 | 115.6 | I459 | N457-I459 PolarHBondContact O-N 2.94Š| ||
| 458 | D | 33.9 | Very low | 35.2 | Very low | 152 Ų | 152 | 118.8 Ų | 118.8 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | trans | -76.9 | 64.7 | -175.9 | -72 | -45.8 | 0 | 0 | 0 | 113.2 | N456 N460 | N456-D458 PolarHBondContact O-N 2.7Å; D458-N460 VanDerWaalsContact C-N 3.28Å; D458-N460 PolarHBondContact O-N 3.11Å | ||
| 459 | I | 31.1 | Very low | 34.4 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 56% | 0.559 | 65% | 0.645 | S | S | * | * | trans | -70.1 | 82.3 | 170.3 | -53.4 | 173 | 0 | 0 | 0 | 108.9 | N457 F1531 | N457-I459 PolarHBondContact O-N 2.94Å; I459-F1531 HydrophobicContact CD1-CZ 4.44Å | ||
| 460 | N | 29 | Very low | 34.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 83% | 0.829 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -171.4 | 36.2 | 160 | -99.2 | -31.6 | 0 | 0 | 0 | 116 | D458 | D458-N460 VanDerWaalsContact C-N 3.28Å; D458-N460 PolarHBondContact O-N 3.11Å |
| 461 | N | 28.6 | Very low | 34.6 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | trans | -159.4 | 165.6 | 162.1 | -123.4 | -38.4 | 0 | 0 | 0 | 115.6 | ||||
| 462 | I | 32.6 | Very low | 35.7 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | trans | 67 | 86.9 | 176.3 | -46.8 | 174.4 | 0 | 0 | 0 | 115.3 | N464 | I462-N464 PolarHBondContact O-N 2.87Š| ||
| 463 | N | 26 | Very low | 37 | Very low | 157 Ų | 157 | 120 Ų | 120 | 84% | 0.84 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 113.9 | 154.6 | -64.1 | -49.8 | 0 | 0 | 0 | 109.1 | ||
| 464 | N | 29 | Very low | 38.8 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 84% | 0.84 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.2 | -7.9 | 149 | -91.9 | -18.7 | 0 | 0 | 0 | 115.1 | I462 | I462-N464 PolarHBondContact O-N 2.87Š|
| 465 | T | 33.1 | Very low | 40.9 | Very low | 113 Ų | 113 | 112.9 Ų | 112.9 | 69% | 0.693 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -87.5 | 134.4 | 178.1 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 466 | I | 37.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 107.2 Ų | 107.2 | 61% | 0.605 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 135.1 | 177.8 | -59.3 | 172 | 0 | 0 | 0 | 110.1 | L468 | I466-L468 PolarHBondContact O-N 3.34Š|
| 467 | P | 32.4 | Very low | 44.9 | Very low | 99 Ų | 99 | 103 Ų | 103 | 64% | 0.643 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.9 | -174.9 | 23.9 | -34 | 0 | 0 | 0 | 113.7 | N469 | P467-N469 VanDerWaalsContact C-N 3.27Å; P467-N469 PolarHBondContact O-N 2.99Å |
| 468 | L | 35.6 | Very low | 47.4 | Very low | 78 Ų | 78 | 97.3 Ų | 97.3 | 41% | 0.408 | 53% | 0.528 | S | S | . | . | trans | -80 | 44.5 | -167.5 | -75 | 158.2 | 0 | 0 | 0 | 115.1 | W450 N453 I466 | W450-L468 HydrophobicContact CE3-CD2 3.96Å; W450-L468 HydrophobicContact CZ3-CD2 4.32Å; N453-L468 HydrophobicContact CB-CD1 4.28Å; I466-L468 PolarHBondContact O-N 3.34Å | ||
| 469 | N | 42 | Very low | 50.1 | Low | 143 Ų | 143 | 90.2 Ų | 90.2 | 77% | 0.765 | 49% | 0.49 | S | S | * | . | trans | -99.3 | 6.2 | -172.1 | -76 | -7.2 | 0 | 0 | 0 | 116 | P467 | P467-N469 VanDerWaalsContact C-N 3.27Å; P467-N469 PolarHBondContact O-N 2.99Å | ||
| 470 | H | 49.7 | Very low | 53.1 | Low | 116 Ų | 116 | 85 Ų | 85 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | trans | -115.1 | 5.7 | -168 | -71.6 | -68.2 | 0 | 0 | 0 | 116.7 | R651 | H470-R651 HydrophobicContact CB-CG 4.26Š| ||
| 471 | L | 54 | Low | 56.2 | Low | 60 Ų | 60 | 77.6 Ų | 77.6 | 31% | 0.314 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -73 | 129.6 | 174.6 | -151.1 | 85.1 | 0 | 0 | 0 | 109.9 | L446 S473 | L446-L471 HydrophobicContact CD1-CD1 4.18Å; L471-S473 PolarHBondContact O-N 2.89Å; L471-S473 VanDerWaalsContact O-N 3.07Å |
| 472 | P | 61 | Low | 59.5 | Low | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | trans | -60.1 | 116.3 | 177.4 | -23.5 | 33.5 | 0 | 0 | 0 | 111.3 | W474 W475 L667 | P472-W474 HydrophobicContact CB-CD2 4.09Å; P472-W474 HydrophobicContact CB-CG 4.36Å; P472-W474 HydrophobicContact CB-CZ2 3.97Å; P472-W474 HydrophobicContact CG-CZ2 4.49Å; P472-W474 PolarHBondContact O-N 2.85Å; P472-W475 WeakPolarHBondContact O-CB 3.46Å; P472-W475 PolarHBondContact O-N 3.23Å; P472-L667 HydrophobicContact CG-CB 4.37Å | ||
| 473 | S | 62.6 | Low | 62.5 | Low | 123 Ų | 123 | 63.7 Ų | 63.7 | 86% | 0.86 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.8 | -172 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | L471 | L471-S473 PolarHBondContact O-N 2.89Å; L471-S473 VanDerWaalsContact O-N 3.07Å |
| 474 | W | 68.8 | Low | 65.7 | Low | 63 Ų | 63 | 56.2 Ų | 56.2 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -11.3 | 176.7 | 54.2 | -106.4 | 0 | 0 | 0 | 114.5 | P472 M479 F491 R552 L667 L670 | P472-W474 HydrophobicContact CB-CD2 4.09Å; P472-W474 HydrophobicContact CB-CG 4.36Å; P472-W474 HydrophobicContact CB-CZ2 3.97Å; P472-W474 HydrophobicContact CG-CZ2 4.49Å; P472-W474 PolarHBondContact O-N 2.85Å; W474-M479 HydrophobicContact CE3-CE 3.97Å; W474-M479 HydrophobicContact CE3-SD 4.26Å; W474-M479 HydrophobicContact CZ3-CE 3.68Å; W474-M479 HydrophobicContact CZ3-SD 4.42Å; W474-F491 HydrophobicContact CH2-CD1 4.28Å; W474-F491 HydrophobicContact CH2-CE1 4.37Å; W474-R552 PolarHBondContact O-NH2 2.96Å; W474-L667 WeakPolarHBondContact CZ2-O 3.13Å; W474-L670 HydrophobicContact CZ2-CD2 4.45Å |
| 475 | W | 74.9 | Confident | 68.5 | Low | 13 Ų | 13 | 49.8 Ų | 49.8 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | trans | -81.5 | 141.2 | -176.2 | -166.1 | -72.7 | 0 | 0 | 0 | 113.4 | L446 R451 P472 M479 V481 F491 I646 L667 | L446-W475 HydrophobicContact CB-CZ2 4.26Å; L446-W475 HydrophobicContact CD1-CD2 3.72Å; L446-W475 HydrophobicContact CD1-CE3 4.16Å; L446-W475 HydrophobicContact CD1-CG 3.94Å; L446-W475 HydrophobicContact CD1-CZ2 4.29Å; L446-W475 HydrophobicContact CG-CZ2 4.19Å; R451-W475 PolarHBondContact NH2-O 2.92Å; P472-W475 WeakPolarHBondContact O-CB 3.46Å; P472-W475 PolarHBondContact O-N 3.23Å; W475-M479 HydrophobicContact CD2-CB 4.28Å; W475-M479 HydrophobicContact CZ2-CB 4.09Å; W475-V481 HydrophobicContact CH2-CG2 3.7Å; W475-V481 HydrophobicContact CZ3-CG2 4.29Å; W475-F491 HydrophobicContact CZ3-CD1 4.01Å; W475-F491 HydrophobicContact CZ3-CE1 4.1Å; W475-I646 HydrophobicContact CH2-CD1 3.75Å; W475-I646 HydrophobicContact CZ2-CD1 4.29Å; W475-L667 HydrophobicContact CZ3-CD2 4.25Å | ||
| 476 | S | 74.3 | Confident | 70.8 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | trans | -124.4 | 162.1 | 173.9 | 82.8 | 0 | 0 | 0 | 0 | 113.1 | D478 M479 | S476-D478 PolarHBondContact O-N 2.86Å; S476-D478 PolarHBondContact OG-N 2.84Å; S476-M479 WeakPolarHBondContact O-CB 3.34Å; S476-M479 PolarHBondContact O-N 2.96Å | ||
| 477 | N | 76.1 | Confident | 73 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -4 | 176.2 | -64.6 | 19.6 | 0 | 0 | 0 | 112.9 | E448 N892 | E448-N477 PolarHBondContact OE1-ND2 2.9Å; N477-N892 HydrophobicContact CB-CB 4.37Å |
| 478 | D | 83 | Confident | 75.6 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 7.7 | 176.2 | -59.1 | -83 | 0 | 0 | 0 | 112.4 | S476 L494 L495 N892 | S476-D478 PolarHBondContact O-N 2.86Å; S476-D478 PolarHBondContact OG-N 2.84Å; D478-L494 HydrophobicContact CB-CB 4.29Å; D478-L494 PolarHBondContact O-N 2.92Å; D478-L495 HydrophobicContact CB-CD1 4.25Å; D478-L495 HydrophobicContact CB-CG 3.93Å; D478-L495 VanDerWaalsContact OD2-CD1 3.25Å; D478-L495 WeakPolarHBondContact OD2-CD1 3.28Å; D478-N892 PolarHBondContact OD1-ND2 2.94Å |
| 479 | M | 89.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 144.9 | 176 | -69 | -173.5 | 67.5 | 0 | 0 | 113.8 | W474 W475 S476 W492 N493 A535 | W474-M479 HydrophobicContact CE3-CE 3.97Å; W474-M479 HydrophobicContact CE3-SD 4.26Å; W474-M479 HydrophobicContact CZ3-CE 3.68Å; W474-M479 HydrophobicContact CZ3-SD 4.42Å; W475-M479 HydrophobicContact CD2-CB 4.28Å; W475-M479 HydrophobicContact CZ2-CB 4.09Å; S476-M479 WeakPolarHBondContact O-CB 3.34Å; S476-M479 PolarHBondContact O-N 2.96Å; M479-W492 WeakPolarHBondContact CA-O 3.38Å; M479-W492 WeakPolarHBondContact CB-O 3.5Å; M479-W492 WeakPolarHBondContact CG-O 3.29Å; M479-N493 HydrophobicContact CG-CB 3.82Å; M479-N493 HydrophobicContact SD-CB 4.48Å; M479-A535 HydrophobicContact CE-CB 3.51Å |
| 480 | F | 94.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 164.5 | 177.5 | 64.7 | -85.8 | 0 | 0 | 0 | 111.2 | V443 D444 C445 T482 W492 L494 L890 I897 I905 | V443-F480 HydrophobicContact CG2-CD2 3.91Å; D444-F480 WeakPolarHBondContact O-CA 3.26Å; C445-F480 HydrophobicContact CB-CB 4.12Å; F480-T482 HydrophobicContact CD2-CG2 4.07Å; F480-T482 HydrophobicContact CE2-CG2 3.99Å; F480-W492 HydrophobicContact CD1-CB 4.1Å; F480-W492 HydrophobicContact CD2-CB 4.2Å; F480-W492 AromaticContact CD2-CD1 3.79Å; F480-W492 HydrophobicContact CD2-CG 4.3Å; F480-W492 HydrophobicContact CE1-CB 3.66Å; F480-W492 HydrophobicContact CE1-CG 4.43Å; F480-W492 HydrophobicContact CE2-CB 3.78Å; F480-W492 AromaticContact CE2-CD1 3.4Å; F480-W492 AromaticContact CE2-CG 3.7Å; F480-W492 HydrophobicContact CE2-CG 3.7Å; F480-W492 HydrophobicContact CG-CB 4.34Å; F480-W492 HydrophobicContact CZ-CB 3.5Å; F480-W492 VanDerWaalsContact CZ-CB 3.5Å; F480-W492 AromaticContact CZ-CD1 3.97Å; F480-W492 AromaticContact CZ-CG 3.78Å; F480-W492 HydrophobicContact CZ-CG 3.78Å; F480-W492 PolarHBondContact N-O 2.86Å; F480-W492 VanDerWaalsContact N-O 3.15Å; F480-W492 PolarHBondContact O-N 2.79Å; F480-L494 HydrophobicContact CE1-CD2 3.84Å; F480-L494 HydrophobicContact CE1-CG 4.04Å; F480-L890 HydrophobicContact CB-CD2 3.93Å; F480-L890 HydrophobicContact CD1-CD1 4.34Å; F480-L890 HydrophobicContact CD1-CD2 4.35Å; F480-L890 HydrophobicContact CG-CD2 4.4Å; F480-I897 HydrophobicContact CD1-CD1 4.39Å; F480-I897 HydrophobicContact CD1-CG1 4.41Å; F480-I897 HydrophobicContact CD2-CG2 4.33Å; F480-I897 HydrophobicContact CE1-CD1 4.11Å; F480-I897 HydrophobicContact CE2-CG2 4.01Å; F480-I897 HydrophobicContact CG-CG1 4.48Å; F480-I897 HydrophobicContact CZ-CD1 4.36Å; F480-I897 HydrophobicContact CZ-CG2 4.36Å; F480-I905 HydrophobicContact CE2-CD1 4.38Å; F480-I905 HydrophobicContact CE2-CG2 4.06Å; F480-I905 HydrophobicContact CZ-CG2 4.18Å |
| 481 | V | 95.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143.3 | -175.8 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | V443 D444 W475 I489 R490 F491 I644 I646 L653 | V443-V481 CarbonylContact C-O 3.59Å; V443-V481 VanDerWaalsContact CA-O 3.24Å; V443-V481 WeakPolarHBondContact CA-O 3.33Å; D444-V481 PolarHBondContact N-O 2.85Å; D444-V481 PolarHBondContact O-N 2.85Å; W475-V481 HydrophobicContact CH2-CG2 3.7Å; W475-V481 HydrophobicContact CZ3-CG2 4.29Å; V481-I489 HydrophobicContact CG1-CG2 3.4Å; V481-R490 CarbonylContact C-O 3.51Å; V481-R490 VanDerWaalsContact CA-O 3.3Å; V481-R490 WeakPolarHBondContact CA-O 3.45Å; V481-F491 HydrophobicContact CG1-CE1 4.43Å; V481-F491 HydrophobicContact CG1-CZ 4.49Å; V481-F491 HydrophobicContact CG2-CD1 3.52Å; V481-F491 HydrophobicContact CG2-CE1 3.67Å; V481-F491 HydrophobicContact CG2-CG 4.22Å; V481-F491 HydrophobicContact CG2-CZ 4.48Å; V481-I644 HydrophobicContact CB-CD1 4.05Å; V481-I644 HydrophobicContact CG1-CD1 3.84Å; V481-I644 WeakPolarHBondContact O-CD1 3.48Å; V481-I646 HydrophobicContact CG2-CD1 4.1Å; V481-L653 HydrophobicContact CG1-CD2 4.29Å |
| 482 | T | 97.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.6 | 175 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | H436 I440 S442 V443 F480 I489 R490 W492 V899 I905 | H436-T482 PolarHBondContact NE2-OG1 3.39Å; I440-T482 HydrophobicContact CG2-CG2 4.27Å; S442-T482 WeakPolarHBondContact O-CA 3.42Å; V443-T482 HydrophobicContact CB-CG2 4.12Å; V443-T482 HydrophobicContact CG2-CG2 4.04Å; F480-T482 HydrophobicContact CD2-CG2 4.07Å; F480-T482 HydrophobicContact CE2-CG2 3.99Å; T482-I489 CarbonylContact O-C 3.59Å; T482-I489 VanDerWaalsContact O-CA 3.3Å; T482-I489 WeakPolarHBondContact O-CA 3.33Å; T482-R490 PolarHBondContact N-O 2.85Å; T482-R490 PolarHBondContact O-N 2.84Å; T482-W492 PolarHBondContact OG1-NE1 3.1Å; T482-V899 HydrophobicContact CG2-CG1 3.98Å; T482-I905 HydrophobicContact CG2-CD1 3.82Å; T482-I905 HydrophobicContact CG2-CG1 4.39Å |
| 483 | C | 95.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.9 | 176.4 | 79 | 0 | 0 | 0 | 0 | 112.4 | I440 W441 S442 I489 V641 I644 | I440-C483 CarbonylContact C-O 3.54Å; I440-C483 WeakPolarHBondContact CA-O 3.14Å; I440-C483 VanDerWaalsContact CG2-O 3.28Å; I440-C483 WeakPolarHBondContact CG2-O 3.47Å; W441-C483 PolarHBondContact N-O 2.87Å; S442-C483 PolarHBondContact O-N 2.93Å; C483-I489 HydrophobicContact CB-CG1 4.19Å; C483-V641 HydrophobicContact CB-CB 3.81Å; C483-V641 HydrophobicContact CB-CG1 3.59Å; C483-V641 PolarHBondContact SG-O 3.49Å; C483-V641 VanDerWaalsContact SG-O 3.38Å; C483-I644 HydrophobicContact CB-CD1 4.22Å; C483-I644 HydrophobicContact CB-CG1 4.19Å; C483-I644 HydrophobicContact CB-CG2 3.68Å |
| 484 | S | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 162.2 | -169.3 | 176.5 | 0 | 0 | 0 | 0 | 114.4 | H436 R438 G439 D486 G487 T488 V641 | H436-S484 WeakPolarHBondContact ND1-CB 3.42Å; R438-S484 PolarHBondContact O-OG 2.97Å; R438-S484 VanDerWaalsContact O-OG 3.04Å; G439-S484 VanDerWaalsContact O-CA 3.29Å; G439-S484 WeakPolarHBondContact O-CA 3.28Å; G439-S484 WeakPolarHBondContact O-CB 3.24Å; G439-S484 PolarHBondContact O-OG 3.47Å; S484-D486 WeakPolarHBondContact CB-OD1 3.35Å; S484-D486 PolarHBondContact O-N 2.76Å; S484-D486 VanDerWaalsContact O-N 3.16Å; S484-D486 PolarHBondContact OG-N 2.87Å; S484-G487 PolarHBondContact O-N 3.1Å; S484-T488 PolarHBondContact N-O 2.79Å; S484-V641 PolarHBondContact O-N 2.86Å |
| 485 | D | 87.8 | Confident | 86.7 | Confident | 21 Ų | 21 | 13.7 Ų | 13.7 | 11% | 0.112 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -4.7 | 165.7 | -88.4 | -44.7 | 0 | 0 | 0 | 114.2 | R438 G439 W441 G487 R642 | R438-D485 HydrophobicContact CB-CB 3.71Å; R438-D485 WeakPolarHBondContact CD-O 3.23Å; G439-D485 PolarHBondContact O-N 3.16Å; G439-D485 VanDerWaalsContact O-N 3.1Å; W441-D485 PolarHBondContact NE1-OD2 2.97Å; D485-G487 VanDerWaalsContact C-N 3.27Å; D485-R642 IonicContact OD1-CZ 2.64Å; D485-R642 IonicContact OD1-NH1 2.68Å; D485-R642 PolarHBondContact OD1-NH1 3.31Å; D485-R642 IonicContact OD2-NH1 2.65Å; D485-R642 PolarHBondContact OD2-NH1 3.01Å |
| 486 | D | 82.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 15.8 Ų | 15.8 | 17% | 0.166 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 2 | 172.9 | 73.9 | 2.2 | 0 | 0 | 0 | 114.1 | H436 S437 R438 S484 T488 R490 | H436-D486 WeakPolarHBondContact CA-OD2 3.46Å; H436-D486 IonicContact CE1-OD1 2.73Å; H436-D486 IonicContact CE1-OD2 3.17Å; H436-D486 IonicContact CG-OD2 3.53Å; H436-D486 IonicContact ND1-OD1 3.68Å; H436-D486 PolarHBondContact ND1-OD1 3.37Å; H436-D486 IonicContact ND1-OD2 3.04Å; H436-D486 PolarHBondContact ND1-OD2 3.07Å; S437-D486 PolarHBondContact N-OD2 2.96Å; S437-D486 VanDerWaalsContact OG-CB 3.27Å; S437-D486 WeakPolarHBondContact OG-CB 3.45Å; R438-D486 HydrophobicContact CB-CB 4.17Å; R438-D486 HydrophobicContact CG-CB 4.3Å; S484-D486 WeakPolarHBondContact CB-OD1 3.35Å; S484-D486 PolarHBondContact O-N 2.76Å; S484-D486 VanDerWaalsContact O-N 3.16Å; S484-D486 PolarHBondContact OG-N 2.87Å; D486-T488 VanDerWaalsContact C-N 3.28Å; D486-T488 VanDerWaalsContact CG-OG1 3.23Å; D486-T488 PolarHBondContact O-N 3.22Å; D486-T488 WeakPolarHBondContact OD1-CB 3.48Å; D486-T488 PolarHBondContact OD1-N 3.49Å; D486-T488 PolarHBondContact OD1-OG1 3.14Å; D486-T488 PolarHBondContact OD2-OG1 2.95Å; D486-R490 IonicContact OD2-CZ 3.43Å; D486-R490 IonicContact OD2-NE 2.75Å; D486-R490 IonicContact OD2-NH2 3.98Å; D486-R490 PolarHBondContact OD2-NH2 3.1Å |
| 487 | G | 83.6 | Confident | 83.7 | Confident | 12 Ų | 12 | 19 Ų | 19 | 12% | 0.124 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 74.2 | 17.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S484 D485 T540 | S484-G487 PolarHBondContact O-N 3.1Å; D485-G487 VanDerWaalsContact C-N 3.27Å; G487-T540 WeakPolarHBondContact CA-OG1 3.07Å; G487-T540 PolarHBondContact O-N 3.4Å; G487-T540 PolarHBondContact O-OG1 2.87Å; G487-T540 VanDerWaalsContact O-OG1 3.05Å |
| 488 | T | 87.6 | Confident | 81.3 | Confident | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 149.1 | 178 | 74 | 0 | 0 | 0 | 0 | 113.3 | H436 S484 D486 R490 I537 I538 Y539 | H436-T488 PolarHBondContact CE1-OG1 3.02Å; H436-T488 PolarHBondContact ND1-OG1 2.81Å; S484-T488 PolarHBondContact N-O 2.79Å; D486-T488 VanDerWaalsContact C-N 3.28Å; D486-T488 VanDerWaalsContact CG-OG1 3.23Å; D486-T488 PolarHBondContact O-N 3.22Å; D486-T488 WeakPolarHBondContact OD1-CB 3.48Å; D486-T488 PolarHBondContact OD1-N 3.49Å; D486-T488 PolarHBondContact OD1-OG1 3.14Å; D486-T488 PolarHBondContact OD2-OG1 2.95Å; T488-R490 PolarHBondContact OG1-NE 3.49Å; T488-I537 HydrophobicContact CG2-CG2 4.12Å; T488-I538 WeakPolarHBondContact CA-O 3.3Å; T488-Y539 HydrophobicContact CG2-CD1 3.72Å; T488-Y539 HydrophobicContact CG2-CE1 3.78Å |
| 489 | I | 91.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.6 | 166.5 | -54.7 | 170.7 | 0 | 0 | 0 | 106.6 | V481 T482 C483 I538 T540 V641 I644 L653 A655 Y665 | V481-I489 HydrophobicContact CG1-CG2 3.4Å; T482-I489 CarbonylContact O-C 3.59Å; T482-I489 VanDerWaalsContact O-CA 3.3Å; T482-I489 WeakPolarHBondContact O-CA 3.33Å; C483-I489 HydrophobicContact CB-CG1 4.19Å; I489-I538 HydrophobicContact CB-CB 4.31Å; I489-I538 PolarHBondContact N-O 2.75Å; I489-I538 PolarHBondContact O-N 2.81Å; I489-T540 HydrophobicContact CD1-CG2 4.4Å; I489-V641 HydrophobicContact CD1-CG1 4.42Å; I489-V641 HydrophobicContact CG1-CG1 4.37Å; I489-V641 HydrophobicContact CG1-CG2 4.26Å; I489-I644 HydrophobicContact CD1-CG2 4.21Å; I489-I644 HydrophobicContact CG1-CG2 4.49Å; I489-I644 HydrophobicContact CG2-CG2 4.43Å; I489-L653 HydrophobicContact CG2-CD2 4.13Å; I489-A655 HydrophobicContact CD1-CB 3.59Å; I489-Y665 HydrophobicContact CD1-CE2 4.15Å |
| 490 | R | 90.4 | Very high | 75.4 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.5 | -170.3 | -59.1 | -170.7 | -165.9 | -161.3 | 13.5 | 111.6 | Y434 Y435 H436 V481 T482 D486 T488 W492 L534 I537 | Y434-R490 VanDerWaalsContact C-NH1 3.3Å; Y434-R490 PolarHBondContact O-NH1 2.85Å; Y435-R490 VanDerWaalsContact O-CZ 3.25Å; Y435-R490 PolarHBondContact O-NH1 2.83Å; Y435-R490 PolarHBondContact O-NH2 3.37Å; Y435-R490 VanDerWaalsContact O-NH2 3.12Å; H436-R490 PolarHBondContact CE1-NE 2.94Å; H436-R490 PolarHBondContact ND1-NE 3.2Å; V481-R490 CarbonylContact C-O 3.51Å; V481-R490 VanDerWaalsContact CA-O 3.3Å; V481-R490 WeakPolarHBondContact CA-O 3.45Å; T482-R490 PolarHBondContact N-O 2.85Å; T482-R490 PolarHBondContact O-N 2.84Å; D486-R490 IonicContact OD2-CZ 3.43Å; D486-R490 IonicContact OD2-NE 2.75Å; D486-R490 IonicContact OD2-NH2 3.98Å; D486-R490 PolarHBondContact OD2-NH2 3.1Å; T488-R490 PolarHBondContact OG1-NE 3.49Å; R490-W492 HydrophobicContact CB-CZ2 3.85Å; R490-W492 PolarHBondContact O-NE1 2.71Å; R490-L534 HydrophobicContact CB-CD1 4.09Å; R490-I537 HydrophobicContact CG-CG1 4.16Å; R490-I537 HydrophobicContact CG-CG2 4.29Å |
| 491 | F | 91.2 | Very high | 72.1 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.3 | 179.8 | -64.1 | -104.4 | 0 | 0 | 0 | 109.2 | W474 W475 V481 A535 G536 I538 L653 L667 L670 | W474-F491 HydrophobicContact CH2-CD1 4.28Å; W474-F491 HydrophobicContact CH2-CE1 4.37Å; W475-F491 HydrophobicContact CZ3-CD1 4.01Å; W475-F491 HydrophobicContact CZ3-CE1 4.1Å; V481-F491 HydrophobicContact CG1-CE1 4.43Å; V481-F491 HydrophobicContact CG1-CZ 4.49Å; V481-F491 HydrophobicContact CG2-CD1 3.52Å; V481-F491 HydrophobicContact CG2-CE1 3.67Å; V481-F491 HydrophobicContact CG2-CG 4.22Å; V481-F491 HydrophobicContact CG2-CZ 4.48Å; F491-A535 HydrophobicContact CB-CB 4.13Å; F491-A535 PolarHBondContact O-N 2.84Å; F491-G536 PolarHBondContact N-O 2.98Å; F491-I538 HydrophobicContact CE2-CD1 3.77Å; F491-I538 HydrophobicContact CE2-CG1 4.08Å; F491-I538 HydrophobicContact CZ-CD1 4.05Å; F491-L653 HydrophobicContact CE1-CD2 4.29Å; F491-L653 HydrophobicContact CE2-CD2 4.43Å; F491-L653 HydrophobicContact CZ-CD2 3.64Å; F491-L667 HydrophobicContact CE1-CD2 3.77Å; F491-L667 HydrophobicContact CZ-CD2 4.21Å; F491-L670 HydrophobicContact CE1-CD2 4.3Å; F491-L670 HydrophobicContact CE2-CD1 4.22Å; F491-L670 HydrophobicContact CE2-CD2 4.19Å; F491-L670 HydrophobicContact CZ-CD2 3.74Å |
| 492 | W | 90.2 | Very high | 68.7 | Low | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.2 | -176 | -53.1 | 95 | 0 | 0 | 0 | 111.2 | I29 Y435 M479 F480 T482 R490 Q533 L534 I905 | I29-W492 HydrophobicContact CG2-CE3 4.01Å; I29-W492 HydrophobicContact CG2-CH2 3.7Å; I29-W492 HydrophobicContact CG2-CZ2 4.32Å; I29-W492 HydrophobicContact CG2-CZ3 3.52Å; Y435-W492 HydrophobicContact CD1-CH2 4.44Å; M479-W492 WeakPolarHBondContact CA-O 3.38Å; M479-W492 WeakPolarHBondContact CB-O 3.5Å; M479-W492 WeakPolarHBondContact CG-O 3.29Å; F480-W492 HydrophobicContact CD1-CB 4.1Å; F480-W492 HydrophobicContact CD2-CB 4.2Å; F480-W492 AromaticContact CD2-CD1 3.79Å; F480-W492 HydrophobicContact CD2-CG 4.3Å; F480-W492 HydrophobicContact CE1-CB 3.66Å; F480-W492 HydrophobicContact CE1-CG 4.43Å; F480-W492 HydrophobicContact CE2-CB 3.78Å; F480-W492 AromaticContact CE2-CD1 3.4Å; F480-W492 AromaticContact CE2-CG 3.7Å; F480-W492 HydrophobicContact CE2-CG 3.7Å; F480-W492 HydrophobicContact CG-CB 4.34Å; F480-W492 HydrophobicContact CZ-CB 3.5Å; F480-W492 VanDerWaalsContact CZ-CB 3.5Å; F480-W492 AromaticContact CZ-CD1 3.97Å; F480-W492 AromaticContact CZ-CG 3.78Å; F480-W492 HydrophobicContact CZ-CG 3.78Å; F480-W492 PolarHBondContact N-O 2.86Å; F480-W492 VanDerWaalsContact N-O 3.15Å; F480-W492 PolarHBondContact O-N 2.79Å; T482-W492 PolarHBondContact OG1-NE1 3.1Å; R490-W492 HydrophobicContact CB-CZ2 3.85Å; R490-W492 PolarHBondContact O-NE1 2.71Å; W492-Q533 CarbonylContact C-O 3.51Å; W492-Q533 VanDerWaalsContact CA-O 3.28Å; W492-Q533 WeakPolarHBondContact CA-O 3.3Å; W492-L534 HydrophobicContact CD2-CD1 4.29Å; W492-L534 HydrophobicContact CE3-CB 4.35Å; W492-L534 HydrophobicContact CE3-CD1 3.96Å; W492-L534 HydrophobicContact CH2-CD1 4Å; W492-L534 HydrophobicContact CZ2-CD1 4.32Å; W492-L534 HydrophobicContact CZ3-CB 4.21Å; W492-L534 HydrophobicContact CZ3-CD1 3.81Å; W492-I905 HydrophobicContact CD2-CD1 4.28Å; W492-I905 HydrophobicContact CZ2-CD1 3.71Å |
| 493 | N | 85.6 | Confident | 65.2 | Low | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128.9 | 172.3 | 176.5 | 22.4 | 0 | 0 | 0 | 109.1 | M479 L495 Q533 | M479-N493 HydrophobicContact CG-CB 3.82Å; M479-N493 HydrophobicContact SD-CB 4.48Å; N493-L495 PolarHBondContact ND2-O 3.42Å; N493-L495 PolarHBondContact OD1-N 2.69Å; N493-Q533 PolarHBondContact N-O 2.75Å; N493-Q533 WeakPolarHBondContact O-CA 3.5Å |
| 494 | L | 84.1 | Confident | 61.8 | Low | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | trans | -79.4 | -26.1 | 177.4 | -62.7 | 179 | 0 | 0 | 0 | 113.4 | R27 D478 F480 L890 Y895 I897 V907 | R27-L494 PolarHBondContact NH1-O 2.97Å; R27-L494 VanDerWaalsContact NH1-O 3.12Å; R27-L494 PolarHBondContact NH2-O 3.47Å; D478-L494 HydrophobicContact CB-CB 4.29Å; D478-L494 PolarHBondContact O-N 2.92Å; F480-L494 HydrophobicContact CE1-CD2 3.84Å; F480-L494 HydrophobicContact CE1-CG 4.04Å; L494-L890 HydrophobicContact CD1-CD1 3.63Å; L494-Y895 HydrophobicContact CD1-CD1 4.33Å; L494-Y895 HydrophobicContact CD1-CD2 3.49Å; L494-Y895 VanDerWaalsContact CD1-CD2 3.49Å; L494-Y895 HydrophobicContact CD1-CE2 3.75Å; L494-Y895 HydrophobicContact CD1-CG 3.8Å; L494-I897 HydrophobicContact CD1-CD1 4.42Å; L494-V907 HydrophobicContact CD1-CG1 3.85Å; L494-V907 HydrophobicContact CD2-CG1 3.92Å; L494-V907 HydrophobicContact CD2-CG2 3.83Å | ||
| 495 | L | 72.1 | Confident | 58.6 | Low | 84 Ų | 84 | 61.8 Ų | 61.8 | 44% | 0.44 | 36% | 0.363 | S | S | . | . | trans | -86 | 113 | -175.8 | -72.9 | -176.7 | 0 | 0 | 0 | 112.9 | D478 N493 N497 | D478-L495 HydrophobicContact CB-CD1 4.25Å; D478-L495 HydrophobicContact CB-CG 3.93Å; D478-L495 VanDerWaalsContact OD2-CD1 3.25Å; D478-L495 WeakPolarHBondContact OD2-CD1 3.28Å; N493-L495 PolarHBondContact ND2-O 3.42Å; N493-L495 PolarHBondContact OD1-N 2.69Å; L495-N497 PolarHBondContact O-N 3.15Å | ||
| 496 | A | 49.8 | Very low | 55.6 | Low | 57 Ų | 57 | 66.9 Ų | 66.9 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -68.1 | 62.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E532 | A496-E532 VanDerWaalsContact CA-OE2 3.24Å; A496-E532 WeakPolarHBondContact CA-OE2 3.25Å; A496-E532 WeakPolarHBondContact CB-OE2 3.44Å |
| 497 | N | 36.4 | Very low | 52.9 | Low | 95 Ų | 95 | 71.9 Ų | 71.9 | 51% | 0.508 | 42% | 0.422 | S | S | . | . | trans | -173.8 | 117 | 159.6 | -111 | -66.3 | 0 | 0 | 0 | 112.2 | L495 Q499 | L495-N497 PolarHBondContact O-N 3.15Å; N497-Q499 WeakPolarHBondContact OD1-CG 3.18Å | ||
| 498 | C | 27.3 | Very low | 50.1 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 52% | 0.52 | 45% | 0.452 | S | S | . | . | trans | -136.1 | 56.9 | 145.9 | -87.5 | 0 | 0 | 0 | 0 | 107.9 | S500 R552 | C498-S500 PolarHBondContact O-N 3.37Å; C498-R552 PolarHBondContact SG-NH1 3.32Å | ||
| 499 | Q | 25.8 | Very low | 47.3 | Very low | 166 Ų | 166 | 81.5 Ų | 81.5 | 78% | 0.776 | 49% | 0.489 | S | S | * | . | trans | -50.8 | 130.4 | 156.7 | -77.5 | -179 | 12.6 | 0 | 0 | 107.5 | N497 T501 | N497-Q499 WeakPolarHBondContact OD1-CG 3.18Å; Q499-T501 PolarHBondContact O-N 2.9Å | ||
| 500 | S | 23.3 | Very low | 44.1 | Very low | 79 Ų | 79 | 89.8 Ų | 89.8 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | trans | -59.6 | 127.9 | -179 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | C498 T502 | C498-S500 PolarHBondContact O-N 3.37Å; S500-T502 PolarHBondContact O-N 2.99Å; S500-T502 PolarHBondContact O-OG1 3.12Å | ||
| 501 | T | 23.6 | Very low | 41 | Very low | 121 Ų | 121 | 100.5 Ų | 100.5 | 74% | 0.742 | 57% | 0.572 | S | S | * | * | trans | -69.7 | 73.2 | 155.9 | 49 | 0 | 0 | 0 | 0 | 107.8 | Q499 N503 | Q499-T501 PolarHBondContact O-N 2.9Å; T501-N503 PolarHBondContact O-N 2.81Å | ||
| 502 | T | 24.4 | Very low | 37.8 | Very low | 120 Ų | 120 | 109.1 Ų | 109.1 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | trans | -64.9 | 72.3 | 155.6 | 36.9 | 0 | 0 | 0 | 0 | 107.3 | S500 S504 | S500-T502 PolarHBondContact O-N 2.99Å; S500-T502 PolarHBondContact O-OG1 3.12Å; T502-S504 PolarHBondContact O-N 2.73Å | ||
| 503 | N | 24.3 | Very low | 34.6 | Very low | 124 Ų | 124 | 113.8 Ų | 113.8 | 66% | 0.663 | 65% | 0.65 | S | S | * | * | trans | -50.7 | 126.9 | 178.8 | -82.2 | -6.3 | 0 | 0 | 0 | 108.5 | T501 L505 | T501-N503 PolarHBondContact O-N 2.81Å; N503-L505 PolarHBondContact O-N 3.5Å | ||
| 504 | S | 23.3 | Very low | 31.8 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -73.7 | 75.1 | -172.8 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | T502 T506 | T502-S504 PolarHBondContact O-N 2.73Å; S504-T506 VanDerWaalsContact C-N 3.31Å; S504-T506 PolarHBondContact O-N 2.68Å; S504-T506 VanDerWaalsContact O-N 3.09Å | ||
| 505 | L | 25.6 | Very low | 29 | Very low | 161 Ų | 161 | 124.2 Ų | 124.2 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -71.3 | 94.5 | 155.6 | -84.7 | 87 | 0 | 0 | 0 | 107.8 | N503 D507 | N503-L505 PolarHBondContact O-N 3.5Å; L505-D507 PolarHBondContact O-N 3.2Å | ||
| 506 | T | 25.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 127 Ų | 127 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -71.8 | 120.5 | 160.3 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | S504 | S504-T506 VanDerWaalsContact C-N 3.31Å; S504-T506 PolarHBondContact O-N 2.68Å; S504-T506 VanDerWaalsContact O-N 3.09Å | ||
| 507 | D | 25.3 | Very low | 25.6 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 86.4 | 143.8 | 153.1 | -132 | 26.2 | 0 | 0 | 0 | 119.9 | L505 | L505-D507 PolarHBondContact O-N 3.2Š|
| 508 | N | 25.3 | Very low | 25.1 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 68.5 | 50.8 | 161.9 | -55 | -53.5 | 0 | 0 | 0 | 119.8 | ||||
| 509 | G | 27.4 | Very low | 24.9 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -74.5 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 510 | I | 24.8 | Very low | 25 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -115.9 | 136.8 | 167.5 | -65.6 | 175.7 | 0 | 0 | 0 | 107.5 | ||||
| 511 | R | 24.8 | Very low | 25 | Very low | 232 Ų | 232 | 136.3 Ų | 136.3 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -102.5 | 131.3 | 177.1 | -96.7 | -177.8 | 167.8 | -178.1 | -3.7 | 111.1 | ||||
| 512 | L | 23.8 | Very low | 25 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | trans | -109.2 | 147.9 | 145.1 | -77.8 | 170 | 0 | 0 | 0 | 108.2 | ||||
| 513 | S | 24.4 | Very low | 25 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -145.3 | 132.2 | -164.5 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 514 | T | 26.6 | Very low | 25 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 93% | 0.933 | 81% | 0.807 | S | S | * | * | trans | -120.2 | 138.7 | 152.4 | 48.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 515 | S | 24.8 | Very low | 25 | Very low | 87 Ų | 87 | 139 Ų | 139 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | trans | -120.4 | 132 | -164.7 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 516 | V | 26.7 | Very low | 24.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -121 | 136.6 | 158.9 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 517 | P | 23.9 | Very low | 24.9 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 137.8 | -166 | -10.2 | 28.3 | 0 | 0 | 0 | 113.2 | N519 | P517-N519 PolarHBondContact O-N 2.81Å; P517-N519 VanDerWaalsContact O-N 3.11Å | ||
| 518 | A | 25.3 | Very low | 24.9 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -73.5 | 97.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 519 | N | 23.5 | Very low | 25.1 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -164.5 | 65.3 | 168.1 | -99.1 | -20.3 | 0 | 0 | 0 | 111 | P517 | P517-N519 PolarHBondContact O-N 2.81Å; P517-N519 VanDerWaalsContact O-N 3.11Å | ||
| 520 | S | 27.7 | Very low | 25.4 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -150.7 | 97 | 165.9 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | F522 | S520-F522 PolarHBondContact O-N 2.75Š| ||
| 521 | E | 23 | Very low | 26.5 | Very low | 199 Ų | 199 | 119.4 Ų | 119.4 | 93% | 0.93 | 68% | 0.682 | S | S | * | * | trans | -73.3 | 79.4 | 175.8 | -62.1 | 179.8 | 119.9 | 0 | 0 | 111.8 | ||||
| 522 | F | 23.6 | Very low | 27.9 | Very low | 205 Ų | 205 | 113.9 Ų | 113.9 | 90% | 0.899 | 67% | 0.666 | S | S | * | * | trans | -164.3 | 38.7 | 161.4 | -128 | -79.5 | 0 | 0 | 0 | 116.9 | S520 | S520-F522 PolarHBondContact O-N 2.75Š| ||
| 523 | I | 25.1 | Very low | 30.1 | Very low | 151 Ų | 151 | 106.6 Ų | 106.6 | 77% | 0.774 | 63% | 0.627 | S | S | * | * | trans | -132.8 | 113.4 | 174.2 | -52 | 179 | 0 | 0 | 0 | 110.9 | ||||
| 524 | G | 24.2 | Very low | 32.6 | Very low | 69 Ų | 69 | 103.3 Ų | 103.3 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | trans | -84.8 | 118.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | T526 | G524-T526 PolarHBondContact O-N 3.48Š| ||
| 525 | S | 23 | Very low | 35.1 | Very low | 106 Ų | 106 | 97.7 Ų | 97.7 | 74% | 0.741 | 57% | 0.571 | S | S | * | * | trans | -80 | 97.6 | -173.9 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | T527 | S525-T527 PolarHBondContact O-N 3.06Š| ||
| 526 | T | 23.5 | Very low | 37.6 | Very low | 67 Ų | 67 | 93.9 Ų | 93.9 | 41% | 0.411 | 55% | 0.545 | S | S | . | . | trans | -82.8 | 99.9 | 166.2 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | G524 F528 | G524-T526 PolarHBondContact O-N 3.48Å; T526-F528 VanDerWaalsContact O-CD2 3.24Å; T526-F528 WeakPolarHBondContact O-CD2 3.49Å; T526-F528 WeakPolarHBondContact O-CE2 3.48Å; T526-F528 PolarHBondContact O-N 3.39Å; T526-F528 VanDerWaalsContact OG1-CZ 3.32Å; T526-F528 WeakPolarHBondContact OG1-CZ 3.11Å | ||
| 527 | T | 25.8 | Very low | 40.3 | Very low | 115 Ų | 115 | 87.6 Ų | 87.6 | 71% | 0.706 | 51% | 0.506 | S | S | * | . | trans | -67.7 | 111.9 | 173.7 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | S525 | S525-T527 PolarHBondContact O-N 3.06Š| ||
| 528 | F | 25.2 | Very low | 43.1 | Very low | 75 Ų | 75 | 82.2 Ų | 82.2 | 33% | 0.329 | 47% | 0.471 | S | S | . | . | trans | -83.2 | 122.1 | -177.9 | -64 | -75.7 | 0 | 0 | 0 | 112.3 | T526 | T526-F528 VanDerWaalsContact O-CD2 3.24Å; T526-F528 WeakPolarHBondContact O-CD2 3.49Å; T526-F528 WeakPolarHBondContact O-CE2 3.48Å; T526-F528 PolarHBondContact O-N 3.39Å; T526-F528 VanDerWaalsContact OG1-CZ 3.32Å; T526-F528 WeakPolarHBondContact OG1-CZ 3.11Å | ||
| 529 | E | 30.2 | Very low | 45.8 | Very low | 118 Ų | 118 | 78.2 Ų | 78.2 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | trans | -90.7 | 103.5 | 172.2 | -68.5 | -178.7 | 170.7 | 0 | 0 | 110.4 | ||||
| 530 | C | 33.5 | Very low | 48.3 | Very low | 18 Ų | 18 | 70.8 Ų | 70.8 | 12% | 0.122 | 40% | 0.395 | C | S | . | . | trans | -76.6 | 149.1 | 155.4 | -161.7 | 0 | 0 | 0 | 0 | 108.6 | E532 I555 | C530-E532 PolarHBondContact O-N 2.74Å; C530-I555 HydrophobicContact CB-CB 3.82Å; C530-I555 HydrophobicContact CB-CD1 3.81Å; C530-I555 HydrophobicContact CB-CG1 4.42Å; C530-I555 HydrophobicContact CB-CG2 3.45Å; C530-I555 VanDerWaalsContact CB-CG2 3.45Å; C530-I555 WeakPolarHBondContact O-CD1 3.25Å | ||
| 531 | T | 48.5 | Very low | 50.2 | Low | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | trans | -72.1 | 128.5 | -175.9 | 62.8 | 0 | 0 | 0 | 0 | 111 | R431 S432 H433 Q533 | R431-T531 HydrophobicContact CB-CG2 4.06Å; S432-T531 PolarHBondContact O-N 3.13Å; S432-T531 PolarHBondContact O-OG1 3.47Å; H433-T531 WeakPolarHBondContact CE1-CG2 3.32Å; H433-T531 WeakPolarHBondContact ND1-CG2 3.46Å; H433-T531 PolarHBondContact ND1-OG1 3.07Å; H433-T531 VanDerWaalsContact ND1-OG1 3.16Å; T531-Q533 PolarHBondContact O-N 3.41Å | ||
| 532 | E | 53.2 | Low | 51.7 | Low | 116 Ų | 116 | 63.3 Ų | 63.3 | 54% | 0.542 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 2.4 | -161.6 | -53.9 | -178.8 | 126.3 | 0 | 0 | 117.5 | A496 C530 | A496-E532 VanDerWaalsContact CA-OE2 3.24Å; A496-E532 WeakPolarHBondContact CA-OE2 3.25Å; A496-E532 WeakPolarHBondContact CB-OE2 3.44Å; C530-E532 PolarHBondContact O-N 2.74Å |
| 533 | Q | 69.7 | Low | 52.7 | Low | 28 Ų | 28 | 57 Ų | 57 | 13% | 0.131 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -18.7 | -168.5 | -52.5 | -175.6 | 35.1 | 0 | 0 | 114.1 | W492 N493 T531 | W492-Q533 CarbonylContact C-O 3.51Å; W492-Q533 VanDerWaalsContact CA-O 3.28Å; W492-Q533 WeakPolarHBondContact CA-O 3.3Å; N493-Q533 PolarHBondContact N-O 2.75Å; N493-Q533 WeakPolarHBondContact O-CA 3.5Å; T531-Q533 PolarHBondContact O-N 3.41Å |
| 534 | L | 78.5 | Confident | 53.8 | Low | 35 Ų | 35 | 51.4 Ų | 51.4 | 18% | 0.183 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118 | 176.1 | -179.7 | 74.2 | 0 | 0 | 0 | 109 | Y434 R490 W492 I537 | Y434-L534 HydrophobicContact CD2-CD2 4.34Å; R490-L534 HydrophobicContact CB-CD1 4.09Å; W492-L534 HydrophobicContact CD2-CD1 4.29Å; W492-L534 HydrophobicContact CE3-CB 4.35Å; W492-L534 HydrophobicContact CE3-CD1 3.96Å; W492-L534 HydrophobicContact CH2-CD1 4Å; W492-L534 HydrophobicContact CZ2-CD1 4.32Å; W492-L534 HydrophobicContact CZ3-CB 4.21Å; W492-L534 HydrophobicContact CZ3-CD1 3.81Å; L534-I537 HydrophobicContact CD1-CG1 4.32Å; L534-I537 HydrophobicContact CD2-CD1 4.02Å; L534-I537 HydrophobicContact CD2-CG1 4.04Å |
| 535 | A | 77.9 | Confident | 54.7 | Low | 34 Ų | 34 | 54.9 Ų | 54.9 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -17.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M479 F491 | M479-A535 HydrophobicContact CE-CB 3.51Å; F491-A535 HydrophobicContact CB-CB 4.13Å; F491-A535 PolarHBondContact O-N 2.84Å |
| 536 | G | 77.9 | Confident | 55.5 | Low | 6 Ų | 6 | 54.4 Ų | 54.4 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | 163.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F491 | F491-G536 PolarHBondContact N-O 2.98Å |
| 537 | I | 83.2 | Confident | 56.1 | Low | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.5 | 175.7 | -54.1 | -176.4 | 0 | 0 | 0 | 110 | L370 T488 R490 L534 Y539 | L370-I537 HydrophobicContact CD2-CD1 4.48Å; T488-I537 HydrophobicContact CG2-CG2 4.12Å; R490-I537 HydrophobicContact CG-CG1 4.16Å; R490-I537 HydrophobicContact CG-CG2 4.29Å; L534-I537 HydrophobicContact CD1-CG1 4.32Å; L534-I537 HydrophobicContact CD2-CD1 4.02Å; L534-I537 HydrophobicContact CD2-CG1 4.04Å; I537-Y539 HydrophobicContact CB-CE2 4.47Å; I537-Y539 HydrophobicContact CG2-CD2 4.26Å; I537-Y539 HydrophobicContact CG2-CE1 4.39Å; I537-Y539 HydrophobicContact CG2-CE2 3.9Å |
| 538 | I | 83.9 | Confident | 56.5 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.1 | 162.3 | -65.9 | 171.7 | 0 | 0 | 0 | 108 | T488 I489 F491 Y546 Y665 L670 | T488-I538 WeakPolarHBondContact CA-O 3.3Å; I489-I538 HydrophobicContact CB-CB 4.31Å; I489-I538 PolarHBondContact N-O 2.75Å; I489-I538 PolarHBondContact O-N 2.81Å; F491-I538 HydrophobicContact CE2-CD1 3.77Å; F491-I538 HydrophobicContact CE2-CG1 4.08Å; F491-I538 HydrophobicContact CZ-CD1 4.05Å; I538-Y546 HydrophobicContact CG2-CE1 4.25Å; I538-Y665 HydrophobicContact CD1-CD1 4.04Å; I538-Y665 HydrophobicContact CD1-CG 4.11Å; I538-Y665 HydrophobicContact CG2-CD1 3.95Å; I538-Y665 HydrophobicContact CG2-CE1 3.44Å; I538-Y665 VanDerWaalsContact CG2-CE1 3.44Å; I538-Y665 HydrophobicContact CG2-CE2 4.38Å; I538-L670 HydrophobicContact CD1-CB 4.09Å; I538-L670 HydrophobicContact CD1-CD2 4.33Å; I538-L670 HydrophobicContact CG1-CB 4.2Å |
| 539 | Y | 80.9 | Confident | 57 | Low | 16 Ų | 16 | 49.9 Ų | 49.9 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.2 | 168.6 | -62 | -91.7 | 0 | 0 | 0 | 109.1 | L370 T488 I537 L544 L547 | L370-Y539 WeakPolarHBondContact CD2-OH 3.49Å; T488-Y539 HydrophobicContact CG2-CD1 3.72Å; T488-Y539 HydrophobicContact CG2-CE1 3.78Å; I537-Y539 HydrophobicContact CB-CE2 4.47Å; I537-Y539 HydrophobicContact CG2-CD2 4.26Å; I537-Y539 HydrophobicContact CG2-CE1 4.39Å; I537-Y539 HydrophobicContact CG2-CE2 3.9Å; Y539-L544 HydrophobicContact CD1-CB 4.33Å; Y539-L544 HydrophobicContact CD1-CD1 3.82Å; Y539-L544 HydrophobicContact CG-CB 4.05Å; Y539-L544 HydrophobicContact CG-CD1 4.32Å; Y539-L547 HydrophobicContact CE2-CB 4.34Å |
| 540 | T | 76.5 | Confident | 57.1 | Low | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -86.8 | -24.7 | 177.3 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | G487 I489 P542 T639 V641 R663 | G487-T540 WeakPolarHBondContact CA-OG1 3.07Å; G487-T540 PolarHBondContact O-N 3.4Å; G487-T540 PolarHBondContact O-OG1 2.87Å; G487-T540 VanDerWaalsContact O-OG1 3.05Å; I489-T540 HydrophobicContact CD1-CG2 4.4Å; T540-P542 VanDerWaalsContact O-CD 3.29Å; T540-P542 WeakPolarHBondContact O-CD 3.4Å; T540-T639 PolarHBondContact OG1-O 2.85Å; T540-T639 VanDerWaalsContact OG1-O 3.06Å; T540-T639 PolarHBondContact OG1-OG1 2.92Å; T540-V641 HydrophobicContact CG2-CG2 3.39Å; T540-R663 PolarHBondContact O-NH1 3.39Å |
| 541 | D | 67.2 | Low | 56.9 | Low | 47 Ų | 47 | 52.6 Ų | 52.6 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -74.1 | 116.4 | 171.6 | -172.9 | -32.7 | 0 | 0 | 0 | 110.1 | S543 L544 | D541-S543 PolarHBondContact O-N 2.84Å; D541-S543 VanDerWaalsContact OD1-CB 3.24Å; D541-S543 WeakPolarHBondContact OD1-CB 3.1Å; D541-S543 PolarHBondContact OD1-N 2.92Å; D541-S543 PolarHBondContact OD1-OG 2.89Å; D541-S543 PolarHBondContact OD2-OG 2.92Å; D541-L544 HydrophobicContact CB-CD1 4.06Å; D541-L544 HydrophobicContact CB-CG 4.01Å; D541-L544 WeakPolarHBondContact O-CB 3.5Å; D541-L544 PolarHBondContact O-N 2.99Å |
| 542 | P | 54.2 | Low | 56.2 | Low | 96 Ų | 96 | 58.1 Ų | 58.1 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -13.5 | -178.3 | -19.7 | 33.9 | 0 | 0 | 0 | 114.7 | T540 L544 | T540-P542 VanDerWaalsContact O-CD 3.29Å; T540-P542 WeakPolarHBondContact O-CD 3.4Å; P542-L544 PolarHBondContact O-N 2.73Å |
| 543 | S | 44.9 | Very low | 54.9 | Low | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17 | 172.1 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | D541 | D541-S543 PolarHBondContact O-N 2.84Å; D541-S543 VanDerWaalsContact OD1-CB 3.24Å; D541-S543 WeakPolarHBondContact OD1-CB 3.1Å; D541-S543 PolarHBondContact OD1-N 2.92Å; D541-S543 PolarHBondContact OD1-OG 2.89Å; D541-S543 PolarHBondContact OD2-OG 2.92Å |
| 544 | L | 47.8 | Very low | 52.9 | Low | 34 Ų | 34 | 58.6 Ų | 58.6 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -95.6 | 114.5 | 177.1 | -53.6 | -175 | 0 | 0 | 0 | 109.6 | G371 Y539 D541 P542 Y546 | G371-L544 WeakPolarHBondContact O-CD2 3.27Å; Y539-L544 HydrophobicContact CD1-CB 4.33Å; Y539-L544 HydrophobicContact CD1-CD1 3.82Å; Y539-L544 HydrophobicContact CG-CB 4.05Å; Y539-L544 HydrophobicContact CG-CD1 4.32Å; D541-L544 HydrophobicContact CB-CD1 4.06Å; D541-L544 HydrophobicContact CB-CG 4.01Å; D541-L544 WeakPolarHBondContact O-CB 3.5Å; D541-L544 PolarHBondContact O-N 2.99Å; P542-L544 PolarHBondContact O-N 2.73Å; L544-Y546 PolarHBondContact O-N 2.72Å |
| 545 | K | 43.2 | Very low | 50.7 | Low | 142 Ų | 142 | 60.5 Ų | 60.5 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | trans | -63.7 | 130.6 | -180 | -73.4 | 178.7 | 176.5 | 171.4 | 0 | 110.9 | L547 | K545-L547 PolarHBondContact O-N 3.24Š| ||
| 546 | Y | 39.1 | Very low | 48.3 | Very low | 95 Ų | 95 | 63 Ų | 63 | 37% | 0.373 | 35% | 0.347 | S | S | . | . | trans | -49.2 | 132.3 | 172.8 | -62.8 | -99.4 | 0 | 0 | 0 | 111.9 | I538 L544 Y665 L672 | I538-Y546 HydrophobicContact CG2-CE1 4.25Å; L544-Y546 PolarHBondContact O-N 2.72Å; Y546-Y665 HydrophobicContact CE1-CD1 4.38Å; Y546-Y665 HydrophobicContact CE1-CE1 4.03Å; Y546-L672 VanDerWaalsContact OH-CB 3.31Å; Y546-L672 WeakPolarHBondContact OH-CB 3.44Å | ||
| 547 | L | 37.3 | Very low | 46.2 | Very low | 47 Ų | 47 | 65.1 Ų | 65.1 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -109.2 | 73.1 | 173.3 | -151.7 | 87.4 | 0 | 0 | 0 | 109.9 | Y539 K545 I557 | Y539-L547 HydrophobicContact CE2-CB 4.34Å; K545-L547 PolarHBondContact O-N 3.24Å; L547-I557 HydrophobicContact CD1-CG2 4.17Å; L547-I557 HydrophobicContact CD2-CG2 4.32Å |
| 548 | C | 34.2 | Very low | 43.4 | Very low | 59 Ų | 59 | 69.1 Ų | 69.1 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | trans | -92.9 | 106.9 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 549 | T | 34.9 | Very low | 40.8 | Very low | 57 Ų | 57 | 73.8 Ų | 73.8 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | trans | -95.4 | 96.1 | 175.2 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 550 | S | 32.9 | Very low | 38.1 | Very low | 101 Ų | 101 | 78 Ų | 78 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | trans | -102.6 | -4.8 | -175 | 52.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 551 | D | 28.7 | Very low | 35.6 | Very low | 91 Ų | 91 | 87.4 Ų | 87.4 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | trans | -99.2 | 87.2 | -177.2 | 48.6 | -26.3 | 0 | 0 | 0 | 112.7 | S553 | D551-S553 VanDerWaalsContact C-N 3.27Å; D551-S553 PolarHBondContact O-N 3.15Å | ||
| 552 | R | 34.1 | Very low | 33.5 | Very low | 132 Ų | 132 | 92.3 Ų | 92.3 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 59.3 | -176 | -69 | -175.1 | 166.8 | -174.2 | -3 | 115 | W474 C498 | W474-R552 PolarHBondContact O-NH2 2.96Å; C498-R552 PolarHBondContact SG-NH1 3.32Å |
| 553 | S | 26.8 | Very low | 32.1 | Very low | 114 Ų | 114 | 96.7 Ų | 96.7 | 80% | 0.797 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -18.5 | 169.8 | 51.8 | 0 | 0 | 0 | 0 | 115.3 | D551 | D551-S553 VanDerWaalsContact C-N 3.27Å; D551-S553 PolarHBondContact O-N 3.15Å |
| 554 | S | 27.4 | Very low | 31.3 | Very low | 41 Ų | 41 | 97.1 Ų | 97.1 | 29% | 0.287 | 53% | 0.532 | S | S | . | . | trans | -158.8 | 135.6 | 172.3 | 39.7 | 0 | 0 | 0 | 0 | 107.4 | E556 | S554-E556 PolarHBondContact O-N 3.2Š| ||
| 555 | I | 31.5 | Very low | 30.2 | Very low | 74 Ų | 74 | 99 Ų | 99 | 38% | 0.379 | 56% | 0.559 | S | S | . | * | trans | -86.3 | 58.6 | 178 | -43.1 | 174.3 | 0 | 0 | 0 | 109.2 | C530 | C530-I555 HydrophobicContact CB-CB 3.82Å; C530-I555 HydrophobicContact CB-CD1 3.81Å; C530-I555 HydrophobicContact CB-CG1 4.42Å; C530-I555 HydrophobicContact CB-CG2 3.45Å; C530-I555 VanDerWaalsContact CB-CG2 3.45Å; C530-I555 WeakPolarHBondContact O-CD1 3.25Å | ||
| 556 | E | 28.5 | Very low | 29.4 | Very low | 86 Ų | 86 | 99.3 Ų | 99.3 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | trans | -73 | 122.8 | 167.8 | -70 | -173.6 | 166.3 | 0 | 0 | 108.4 | S554 T558 | S554-E556 PolarHBondContact O-N 3.2Å; E556-T558 VanDerWaalsContact CB-OG1 3.25Å; E556-T558 WeakPolarHBondContact CB-OG1 3.47Å; E556-T558 PolarHBondContact O-N 2.73Å; E556-T558 PolarHBondContact O-OG1 3.35Å | ||
| 557 | I | 33 | Very low | 28.7 | Very low | 51 Ų | 51 | 98.8 Ų | 98.8 | 26% | 0.262 | 59% | 0.59 | S | S | . | * | trans | -77.6 | 82.9 | 159.8 | -59.4 | 175.5 | 0 | 0 | 0 | 104.9 | L547 L559 | L547-I557 HydrophobicContact CD1-CG2 4.17Å; L547-I557 HydrophobicContact CD2-CG2 4.32Å; I557-L559 HydrophobicContact CG2-CD1 4.41Å; I557-L559 HydrophobicContact CG2-CG 4.45Å; I557-L559 PolarHBondContact O-N 2.7Å | ||
| 558 | T | 25.3 | Very low | 28.2 | Very low | 94 Ų | 94 | 103.3 Ų | 103.3 | 58% | 0.577 | 61% | 0.613 | S | S | * | * | trans | -74.2 | 61.9 | -167.2 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | E556 S560 | E556-T558 VanDerWaalsContact CB-OG1 3.25Å; E556-T558 WeakPolarHBondContact CB-OG1 3.47Å; E556-T558 PolarHBondContact O-N 2.73Å; E556-T558 PolarHBondContact O-OG1 3.35Å; T558-S560 PolarHBondContact O-N 3.25Å | ||
| 559 | L | 28.3 | Very low | 27.8 | Very low | 98 Ų | 98 | 108.4 Ų | 108.4 | 51% | 0.513 | 64% | 0.636 | S | S | . | * | trans | -72.3 | 104.7 | 167.1 | -80.7 | 169.7 | 0 | 0 | 0 | 108.9 | L374 I557 K561 | L374-L559 HydrophobicContact CD1-CD1 3.93Å; L374-L559 HydrophobicContact CD1-CD2 3.74Å; L374-L559 HydrophobicContact CD1-CG 4.44Å; I557-L559 HydrophobicContact CG2-CD1 4.41Å; I557-L559 HydrophobicContact CG2-CG 4.45Å; I557-L559 PolarHBondContact O-N 2.7Å; L559-K561 PolarHBondContact O-N 2.92Å | ||
| 560 | S | 24.4 | Very low | 27.6 | Very low | 105 Ų | 105 | 109.4 Ų | 109.4 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | trans | -68 | 88.3 | -177.3 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | T558 | T558-S560 PolarHBondContact O-N 3.25Š| ||
| 561 | K | 24.3 | Very low | 27.5 | Very low | 198 Ų | 198 | 108.2 Ų | 108.2 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | trans | 50.3 | 86.1 | 141.6 | -169.3 | 179.5 | -175.7 | 174.2 | 0 | 116.2 | L559 | L559-K561 PolarHBondContact O-N 2.92Š| ||
| 562 | L | 22.9 | Very low | 27.7 | Very low | 150 Ų | 150 | 110.5 Ų | 110.5 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -150 | 51.1 | 171 | -120.3 | 169.7 | 0 | 0 | 0 | 114.6 | L376 | L376-L562 HydrophobicContact CD2-CD1 4.07Š| ||
| 563 | E | 25.5 | Very low | 27.2 | Very low | 188 Ų | 188 | 107.6 Ų | 107.6 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | trans | -132.4 | 154 | 163.2 | -74.6 | -162.7 | 146.3 | 0 | 0 | 110.6 | ||||
| 564 | G | 27.4 | Very low | 27.3 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | trans | 72.5 | 92.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 565 | G | 25.5 | Very low | 27.4 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | cis | 92 | 52.2 | 11 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 566 | I | 25.7 | Very low | 27.1 | Very low | 150 Ų | 150 | 119 Ų | 119 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 63.6 | 81.2 | 162.6 | -41.4 | 174.3 | 0 | 0 | 0 | 115.9 | L568 | I566-L568 HydrophobicContact CG2-CD1 3.82Å; I566-L568 HydrophobicContact CG2-CG 3.87Å | ||
| 567 | G | 24.7 | Very low | 27.1 | Very low | 83 Ų | 83 | 117.8 Ų | 117.8 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -92.7 | 118.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 568 | L | 27.1 | Very low | 26.8 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -106.2 | 102.9 | -176.6 | -90.9 | 167.5 | 0 | 0 | 0 | 113.7 | I566 | I566-L568 HydrophobicContact CG2-CD1 3.82Å; I566-L568 HydrophobicContact CG2-CG 3.87Å | ||
| 569 | L | 25.9 | Very low | 26.8 | Very low | 166 Ų | 166 | 123.4 Ų | 123.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 61.5 | 114.8 | 147.7 | -69.3 | 167 | 0 | 0 | 0 | 121 | ||||
| 570 | G | 29.6 | Very low | 26.9 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -159.5 | 110.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 571 | G | 31.9 | Very low | 27.1 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -79.9 | -169.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 572 | P | 31.4 | Very low | 27.3 | Very low | 138 Ų | 138 | 122 Ų | 122 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | cis | -126 | 159 | 37.2 | 39.9 | -27.3 | 0 | 0 | 0 | 115.5 | ||||
| 573 | G | 24.8 | Very low | 27.5 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -107.5 | -165.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 574 | F | 28 | Very low | 27.5 | Very low | 214 Ų | 214 | 120.5 Ų | 120.5 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -143.2 | 139.5 | 167.1 | -118.4 | -86.8 | 0 | 0 | 0 | 108.9 | ||||
| 575 | V | 29.1 | Very low | 27.4 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -143.5 | 140.1 | -176.4 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 576 | P | 26.3 | Very low | 27.5 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -125.2 | 100.8 | 163.1 | 34.7 | -19.3 | 0 | 0 | 0 | 113.2 | ||||
| 577 | G | 27.1 | Very low | 27.6 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | trans | 81.5 | 150.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 578 | T | 27.9 | Very low | 27.6 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | cis | -151.4 | 133.9 | -3 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 579 | N | 26 | Very low | 27.5 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 66 | 137.7 | 154.9 | -53.7 | 12.3 | 0 | 0 | 0 | 116.8 | ||||
| 580 | D | 29.9 | Very low | 27.7 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -147 | 147.5 | 6.2 | -101.1 | -40.4 | 0 | 0 | 0 | 113.8 | ||||
| 581 | L | 27.5 | Very low | 27.5 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | 50.5 | 92.3 | 143 | -62.1 | 167.1 | 0 | 0 | 0 | 123 | ||||
| 582 | G | 28.5 | Very low | 27.2 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | 81 | 165.1 | 128.6 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 583 | Q | 27.1 | Very low | 27.1 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -165.8 | 153.7 | -10.2 | -134.3 | -175.5 | 14.5 | 0 | 0 | 110.5 | ||||
| 584 | I | 26.9 | Very low | 27.2 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | trans | 65.3 | 101.5 | 161 | -55.6 | 161.2 | 0 | 0 | 0 | 114.9 | ||||
| 585 | D | 25.2 | Very low | 27 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | 88.9 | 140.1 | 63.9 | -84.1 | -49.6 | 0 | 0 | 0 | 116.2 | |||||
| 586 | S | 26.9 | Very low | 27.1 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 108.2 | 141.8 | 153.4 | -50.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 587 | A | 28.8 | Very low | 27 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 74.5 | 108.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 588 | L | 23.9 | Very low | 26.9 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -80.1 | 146.9 | 159.9 | -65.2 | 77.6 | 0 | 0 | 0 | 110.5 | ||||
| 589 | Q | 25.3 | Very low | 26.8 | Very low | 197 Ų | 197 | 131.7 Ų | 131.7 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -161.6 | 141.9 | 138.7 | -113.2 | 165 | 25.6 | 0 | 0 | 111.7 | ||||
| 590 | S | 29.4 | Very low | 26.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -98.1 | 137.1 | 178.8 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 591 | P | 26 | Very low | 26.6 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -107 | 156.4 | 161.8 | 36.1 | -28.7 | 0 | 0 | 0 | 112.1 | ||||
| 592 | A | 24.4 | Very low | 26.6 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 176.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 593 | S | 29.8 | Very low | 26.6 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 130.9 | -179.3 | 54.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 594 | P | 26.5 | Very low | 26.4 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94 | 143.2 | 163.6 | 35.1 | -30.9 | 0 | 0 | 0 | 112.2 | ||
| 595 | S | 24.4 | Very low | 26.2 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 133.2 | 171.3 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 596 | R | 30.5 | Very low | 26.4 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | trans | 37.9 | 126.3 | 154 | -163 | -177.1 | -156.4 | -127.3 | 5.7 | 119.4 | D1473 C1474 | R596-D1473 IonicContact NH2-OD1 3.65Å; R596-C1474 PolarHBondContact NH1-SG 3.07Å; R596-C1474 PolarHBondContact NH2-SG 2.96Å | ||
| 597 | P | 26.1 | Very low | 26.2 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -111.7 | 172.9 | 144.7 | 37.2 | -29.5 | 0 | 0 | 0 | 112.2 | ||||
| 598 | S | 24.9 | Very low | 26 | Very low | 77 Ų | 77 | 141 Ų | 141 | 54% | 0.538 | 79% | 0.793 | S | S | . | * | trans | -150.7 | 140.9 | 178.4 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 599 | I | 25.6 | Very low | 26 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | 73.3 | 131.7 | 159.4 | -65.5 | 169.9 | 0 | 0 | 0 | 117.8 | ||||
| 600 | S | 25.8 | Very low | 25.9 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 75.5 | 155.8 | 156.5 | 68.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 601 | E | 25.2 | Very low | 25.7 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 66.2 | 81.2 | 167.3 | -55.2 | -162.1 | 173.8 | 0 | 0 | 119.1 | ||||
| 602 | H | 28.1 | Very low | 25.6 | Very low | 196 Ų | 196 | 137.1 Ų | 137.1 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | -150 | 85.2 | 126.7 | -119.6 | -68.1 | 0 | 0 | 0 | 112.1 | |||||
| 603 | F | 27 | Very low | 25.9 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -106.3 | 111 | 169 | -123.1 | -80.5 | 0 | 0 | 0 | 108.4 | ||||
| 604 | Q | 24.4 | Very low | 25.9 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | 167.8 | 154.5 | 153.6 | -96.8 | 164.6 | 55.1 | 0 | 0 | 109.8 | ||||
| 605 | L | 23.1 | Very low | 26 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 62.2 | 78.3 | -179.3 | -58.1 | 174.4 | 0 | 0 | 0 | 116 | ||
| 606 | I | 27.7 | Very low | 26.3 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | -168.2 | 93.8 | 106.5 | -87.7 | 150.8 | 0 | 0 | 0 | 106.1 | |||||
| 607 | S | 24.1 | Very low | 26.2 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -120.5 | 60.6 | -177.3 | 59.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 608 | S | 24.4 | Very low | 26.4 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | trans | -160.6 | 147.9 | -178.9 | 51.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 609 | L | 22.9 | Very low | 26.5 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 73.2 | 73.5 | 168.8 | -53.7 | 168.2 | 0 | 0 | 0 | 117.2 | ||||
| 610 | T | 23.6 | Very low | 26.6 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -120.5 | 86.2 | 163.2 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 611 | S | 24.8 | Very low | 26.8 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -175 | 137.5 | 171.1 | 54.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 612 | S | 25 | Very low | 26.9 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | cis | -157.5 | 142.6 | 7.4 | -4.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 613 | S | 29.2 | Very low | 27.1 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -76.5 | -174.4 | 150.9 | -40.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 614 | N | 31.1 | Very low | 27 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | cis | -171.6 | 168.5 | 17.3 | -138.4 | -13.8 | 0 | 0 | 0 | 109.1 | V616 | N614-V616 WeakPolarHBondContact OD1-CG2 3.38Š| ||
| 615 | T | 27.3 | Very low | 27.2 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | 168.5 | 124.2 | 141.6 | 32.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 616 | V | 32.2 | Very low | 27.4 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | cis | 75.9 | 131.1 | -3.1 | -167.8 | 0 | 0 | 0 | 0 | 118.1 | N614 | N614-V616 WeakPolarHBondContact OD1-CG2 3.38Š| ||
| 617 | G | 28 | Very low | 27.2 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 142.2 | 118.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 618 | S | 29 | Very low | 27.2 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | cis | 76.1 | 137.9 | 1.4 | -156.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 619 | C | 28.5 | Very low | 27.1 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | 54.3 | 174.4 | 160.7 | 56.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 620 | N | 26.3 | Very low | 27.2 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | cis | -138.2 | 166.6 | 18.7 | -66.7 | -96.1 | 0 | 0 | 0 | 109.4 | ||||
| 621 | T | 31.2 | Very low | 27.1 | Very low | 119 Ų | 119 | 116.6 Ų | 116.6 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | cis | 71.7 | 135.1 | 30.3 | 58.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 622 | T | 26.8 | Very low | 27 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -151.4 | 160.1 | 172.7 | 36.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 623 | T | 31.7 | Very low | 26.9 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -142.4 | 160.9 | -159.7 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 624 | T | 26.8 | Very low | 26.6 | Very low | 144 Ų | 144 | 117.4 Ų | 117.4 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -145.8 | 162.5 | 158.8 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 625 | N | 28.7 | Very low | 26.3 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -110.1 | 146.3 | -153.5 | -56.3 | -27.6 | 0 | 0 | 0 | 115.7 | ||||
| 626 | S | 26 | Very low | 26.3 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -152.6 | 162.5 | 145.4 | 59 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 627 | S | 24 | Very low | 26.4 | Very low | 124 Ų | 124 | 114.9 Ų | 114.9 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | -106.6 | 110.1 | -154.6 | 56.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 628 | S | 23.5 | Very low | 27.6 | Very low | 97 Ų | 97 | 115 Ų | 115 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -157 | 91.2 | 157.1 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | T630 | S628-T630 PolarHBondContact O-N 3.37Š| ||
| 629 | S | 23.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 111.5 Ų | 111.5 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | trans | -80.8 | 50.5 | -175.5 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | T631 | S629-T631 PolarHBondContact O-N 3.39Š| ||
| 630 | T | 23.9 | Very low | 31.8 | Very low | 91 Ų | 91 | 106.8 Ų | 106.8 | 56% | 0.558 | 68% | 0.677 | S | S | * | * | trans | -60.7 | 127.2 | -175 | -47.7 | 0 | 0 | 0 | 0 | 109.8 | S628 A632 E1631 | S628-T630 PolarHBondContact O-N 3.37Å; T630-A632 PolarHBondContact O-N 2.98Å; T630-E1631 WeakPolarHBondContact CA-OE1 3.31Å; T630-E1631 WeakPolarHBondContact CA-OE2 3.44Å; T630-E1631 PolarHBondContact OG1-OE1 3.2Å | ||
| 631 | T | 23 | Very low | 35 | Very low | 106 Ų | 106 | 100.7 Ų | 100.7 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | trans | -62.8 | 105.7 | -174.6 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | S629 T633 E1631 | S629-T631 PolarHBondContact O-N 3.39Å; T631-T633 PolarHBondContact O-N 3.48Å; T631-E1631 PolarHBondContact N-OE2 3.35Å | ||
| 632 | A | 22.9 | Very low | 38 | Very low | 89 Ų | 89 | 95.4 Ų | 95.4 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | trans | -72.2 | 88.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.2 | T630 T634 | T630-A632 PolarHBondContact O-N 2.98Å; A632-T634 PolarHBondContact O-N 2.94Å | ||
| 633 | T | 22.4 | Very low | 41.4 | Very low | 127 Ų | 127 | 88.8 Ų | 88.8 | 78% | 0.779 | 57% | 0.571 | S | S | * | * | trans | -69.6 | 91.5 | 168.5 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | T631 T635 | T631-T633 PolarHBondContact O-N 3.48Å; T633-T635 PolarHBondContact O-N 3.09Å | ||
| 634 | T | 22.5 | Very low | 44.5 | Very low | 123 Ų | 123 | 83 Ų | 83 | 76% | 0.755 | 54% | 0.535 | S | S | * | . | trans | -61.4 | 101.9 | 173.4 | 46.7 | 0 | 0 | 0 | 0 | 110.4 | A632 I636 | A632-T634 PolarHBondContact O-N 2.94Å; T634-I636 PolarHBondContact O-N 3.34Å | ||
| 635 | T | 23.8 | Very low | 47.8 | Very low | 137 Ų | 137 | 76.9 Ų | 76.9 | 84% | 0.84 | 50% | 0.498 | S | S | * | . | trans | -62.9 | 105.6 | 167.7 | 47.5 | 0 | 0 | 0 | 0 | 108.9 | T633 G637 | T633-T635 PolarHBondContact O-N 3.09Å; T635-G637 PolarHBondContact O-N 3.46Å; T635-G637 VanDerWaalsContact O-N 3.16Å | ||
| 636 | I | 28.5 | Very low | 50.9 | Low | 145 Ų | 145 | 69.9 Ų | 69.9 | 74% | 0.744 | 46% | 0.46 | S | S | * | . | trans | -65 | 115 | 177.3 | -58.6 | 174.3 | 0 | 0 | 0 | 108.1 | T634 S638 | T634-I636 PolarHBondContact O-N 3.34Å; I636-S638 PolarHBondContact O-N 2.91Å | ||
| 637 | G | 34.5 | Very low | 54 | Low | 45 Ų | 45 | 64 Ų | 64 | 46% | 0.464 | 42% | 0.419 | S | S | . | . | trans | -64.1 | 129.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | T635 T639 | T635-G637 PolarHBondContact O-N 3.46Å; T635-G637 VanDerWaalsContact O-N 3.16Å; G637-T639 PolarHBondContact O-N 2.98Å; G637-T639 VanDerWaalsContact O-N 3.14Å | ||
| 638 | S | 53.5 | Low | 56.9 | Low | 72 Ų | 72 | 59.4 Ų | 59.4 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | trans | -79 | 97.7 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 109 | I636 G640 | I636-S638 PolarHBondContact O-N 2.91Å; S638-G640 PolarHBondContact O-N 3.08Å | ||
| 639 | T | 63.1 | Low | 59.5 | Low | 27 Ų | 27 | 56 Ų | 56 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | trans | -72.2 | 55.8 | -175.3 | 53 | 0 | 0 | 0 | 0 | 113.2 | T540 G637 D659 | T540-T639 PolarHBondContact OG1-O 2.85Å; T540-T639 VanDerWaalsContact OG1-O 3.06Å; T540-T639 PolarHBondContact OG1-OG1 2.92Å; G637-T639 PolarHBondContact O-N 2.98Å; G637-T639 VanDerWaalsContact O-N 3.14Å; T639-D659 WeakPolarHBondContact CG2-OD2 3.21Å | ||
| 640 | G | 82.7 | Confident | 62.4 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -64.9 | 132.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S638 D657 R658 | S638-G640 PolarHBondContact O-N 3.08Å; G640-D657 WeakPolarHBondContact O-CA 3.3Å; G640-D657 WeakPolarHBondContact O-CB 3.43Å; G640-R658 PolarHBondContact O-N 3.24Å | ||
| 641 | V | 92.4 | Very high | 65.3 | Low | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.6 | -171.3 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | C483 S484 I489 T540 I644 A655 | C483-V641 HydrophobicContact CB-CB 3.81Å; C483-V641 HydrophobicContact CB-CG1 3.59Å; C483-V641 PolarHBondContact SG-O 3.49Å; C483-V641 VanDerWaalsContact SG-O 3.38Å; S484-V641 PolarHBondContact O-N 2.86Å; I489-V641 HydrophobicContact CD1-CG1 4.42Å; I489-V641 HydrophobicContact CG1-CG1 4.37Å; I489-V641 HydrophobicContact CG1-CG2 4.26Å; T540-V641 HydrophobicContact CG2-CG2 3.39Å; V641-I644 HydrophobicContact CG1-CG2 4.28Å; V641-A655 HydrophobicContact CG1-CB 4.08Å |
| 642 | R | 94.9 | Very high | 68.6 | Low | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -31.6 | -173.8 | -73.8 | -69.7 | -168 | -110.4 | -2.6 | 113.8 | W441 D485 G656 E682 I683 | W441-R642 VanDerWaalsContact CB-O 3.26Å; W441-R642 WeakPolarHBondContact CB-O 3.41Å; W441-R642 VanDerWaalsContact NE1-NH1 3.18Å; D485-R642 IonicContact OD1-CZ 2.64Å; D485-R642 IonicContact OD1-NH1 2.68Å; D485-R642 PolarHBondContact OD1-NH1 3.31Å; D485-R642 IonicContact OD2-NH1 2.65Å; D485-R642 PolarHBondContact OD2-NH1 3.01Å; R642-G656 PolarHBondContact N-O 2.94Å; R642-E682 HydrophobicContact CG-CB 4.28Å; R642-E682 IonicContact CZ-OE2 3.19Å; R642-E682 VanDerWaalsContact CZ-OE2 3.22Å; R642-E682 IonicContact NE-OE2 2.76Å; R642-E682 PolarHBondContact NE-OE2 3.3Å; R642-E682 IonicContact NH2-OE2 3.6Å; R642-E682 PolarHBondContact NH2-OE2 2.94Å; R642-I683 WeakPolarHBondContact CB-O 3.41Å |
| 643 | T | 96.9 | Very high | 72 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 153.7 | -176.9 | -171 | 0 | 0 | 0 | 0 | 111.7 | A655 G656 I683 L686 | T643-A655 CarbonylContact O-C 3.59Å; T643-A655 WeakPolarHBondContact O-CA 3.44Å; T643-G656 PolarHBondContact N-O 3.45Å; T643-G656 VanDerWaalsContact N-O 3.16Å; T643-G656 PolarHBondContact O-N 2.84Å; T643-I683 HydrophobicContact CG2-CB 4.33Å; T643-I683 HydrophobicContact CG2-CG2 3.95Å; T643-I683 WeakPolarHBondContact CG2-O 3.5Å; T643-L686 HydrophobicContact CG2-CB 4.31Å; T643-L686 HydrophobicContact CG2-CD1 3.88Å; T643-L686 HydrophobicContact CG2-CG 3.72Å |
| 644 | I | 97 | Very high | 75.6 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.4 | 177.2 | 47.6 | 167 | 0 | 0 | 0 | 109.6 | D444 V481 C483 I489 V641 L653 A654 A655 | D444-I644 HydrophobicContact CB-CD1 4.47Å; V481-I644 HydrophobicContact CB-CD1 4.05Å; V481-I644 HydrophobicContact CG1-CD1 3.84Å; V481-I644 WeakPolarHBondContact O-CD1 3.48Å; C483-I644 HydrophobicContact CB-CD1 4.22Å; C483-I644 HydrophobicContact CB-CG1 4.19Å; C483-I644 HydrophobicContact CB-CG2 3.68Å; I489-I644 HydrophobicContact CD1-CG2 4.21Å; I489-I644 HydrophobicContact CG1-CG2 4.49Å; I489-I644 HydrophobicContact CG2-CG2 4.43Å; V641-I644 HydrophobicContact CG1-CG2 4.28Å; I644-L653 HydrophobicContact CB-CD1 4.26Å; I644-L653 HydrophobicContact CG2-CD1 4.49Å; I644-A654 CarbonylContact C-O 3.54Å; I644-A654 VanDerWaalsContact CA-O 3.24Å; I644-A654 WeakPolarHBondContact CA-O 3.49Å; I644-A655 HydrophobicContact CG2-CB 3.84Å |
| 645 | C | 96.3 | Very high | 79.1 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 10% | 0.095 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 132.9 | 170.9 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | D444 A654 L686 F688 | D444-C645 WeakPolarHBondContact OD2-CA 3.45Å; C645-A654 PolarHBondContact N-O 3.24Å; C645-A654 PolarHBondContact O-N 3.04Å; C645-L686 HydrophobicContact CB-CB 3.86Å; C645-F688 HydrophobicContact CB-CD2 4.24Å; C645-F688 WeakPolarHBondContact O-CE2 3.49Å |
| 646 | I | 94.1 | Very high | 82.5 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.6 | 174.1 | -66.6 | 163.9 | 0 | 0 | 0 | 109.6 | D444 L446 W475 V481 L653 L667 | D444-I646 HydrophobicContact CB-CD1 4.45Å; D444-I646 PolarHBondContact OD2-N 3.35Å; L446-I646 HydrophobicContact CD2-CG2 3.43Å; L446-I646 VanDerWaalsContact CD2-CG2 3.43Å; L446-I646 HydrophobicContact CG-CG2 3.91Å; W475-I646 HydrophobicContact CH2-CD1 3.75Å; W475-I646 HydrophobicContact CZ2-CD1 4.29Å; V481-I646 HydrophobicContact CG2-CD1 4.1Å; I646-L653 HydrophobicContact CG1-CD1 3.82Å; I646-L667 HydrophobicContact CG2-CD1 3.7Å |
| 647 | S | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -70.1 | 144.8 | 175 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | D649 G650 R651 H652 | S647-D649 VanDerWaalsContact CB-OD1 3.29Å; S647-D649 WeakPolarHBondContact CB-OD1 3.12Å; S647-D649 PolarHBondContact O-N 2.82Å; S647-D649 PolarHBondContact OG-OD1 3.1Å; S647-G650 PolarHBondContact O-N 3.06Å; S647-R651 PolarHBondContact OG-N 3.3Å; S647-H652 PolarHBondContact N-O 3.31Å; S647-H652 PolarHBondContact OG-N 2.86Å; S647-H652 PolarHBondContact OG-O 2.99Å; S647-H652 VanDerWaalsContact OG-O 3.12Å | ||
| 648 | P | 83.8 | Confident | 88.2 | Confident | 26 Ų | 26 | 21.1 Ų | 21.1 | 17% | 0.169 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -37.5 | -179.6 | -28.9 | 34.8 | 0 | 0 | 0 | 113.7 | W450 G650 F688 Q690 | W450-P648 HydrophobicContact CZ2-CB 3.95Å; W450-P648 WeakPolarHBondContact CZ2-O 3.39Å; W450-P648 PolarHBondContact NE1-O 3.11Å; P648-G650 PolarHBondContact O-N 2.81Å; P648-F688 HydrophobicContact CG-CB 4.38Å; P648-Q690 HydrophobicContact CB-CB 4.41Å; P648-Q690 HydrophobicContact CG-CB 4.21Å |
| 649 | D | 78.5 | Confident | 90 | Very high | 27 Ų | 27 | 21.6 Ų | 21.6 | 14% | 0.144 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -4 | 178.4 | 66.2 | 7.3 | 0 | 0 | 0 | 114.9 | S647 R651 | S647-D649 VanDerWaalsContact CB-OD1 3.29Å; S647-D649 WeakPolarHBondContact CB-OD1 3.12Å; S647-D649 PolarHBondContact O-N 2.82Å; S647-D649 PolarHBondContact OG-OD1 3.1Å; D649-R651 PolarHBondContact O-N 2.93Å; D649-R651 PolarHBondContact OD1-N 2.98Å; D649-R651 IonicContact OD2-CZ 3.66Å; D649-R651 IonicContact OD2-NE 3.87Å; D649-R651 PolarHBondContact OD2-NE 2.66Å; D649-R651 IonicContact OD2-NH2 2.73Å; D649-R651 PolarHBondContact OD2-NH2 2.57Å |
| 650 | G | 83.4 | Confident | 91.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 66 | 12.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | S647 P648 L667 | S647-G650 PolarHBondContact O-N 3.06Å; P648-G650 PolarHBondContact O-N 2.81Å; G650-L667 VanDerWaalsContact O-CB 3.3Å; G650-L667 WeakPolarHBondContact O-CB 3.37Å; G650-L667 WeakPolarHBondContact O-CD1 3.41Å |
| 651 | R | 85.4 | Confident | 91.9 | Very high | 110 Ų | 110 | 21.1 Ų | 21.1 | 42% | 0.415 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -86.8 | -26.9 | 179.1 | -64.8 | -173.3 | -62.9 | 162.9 | 1.3 | 113.8 | H470 S647 D649 L667 | H470-R651 HydrophobicContact CB-CG 4.26Å; S647-R651 PolarHBondContact OG-N 3.3Å; D649-R651 PolarHBondContact O-N 2.93Å; D649-R651 PolarHBondContact OD1-N 2.98Å; D649-R651 IonicContact OD2-CZ 3.66Å; D649-R651 IonicContact OD2-NE 3.87Å; D649-R651 PolarHBondContact OD2-NE 2.66Å; D649-R651 IonicContact OD2-NH2 2.73Å; D649-R651 PolarHBondContact OD2-NH2 2.57Å; R651-L667 PolarHBondContact O-N 3.38Å |
| 652 | H | 92.3 | Very high | 92.1 | Very high | 32 Ų | 32 | 21.1 Ų | 21.1 | 15% | 0.148 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.4 | -172.2 | -61.9 | 120.5 | 0 | 0 | 0 | 113.9 | S647 V664 Y665 L667 F688 Y718 | S647-H652 PolarHBondContact N-O 3.31Å; S647-H652 PolarHBondContact OG-N 2.86Å; S647-H652 PolarHBondContact OG-O 2.99Å; S647-H652 VanDerWaalsContact OG-O 3.12Å; H652-V664 HydrophobicContact CB-CG1 4.02Å; H652-Y665 CarbonylContact C-O 3.58Å; H652-Y665 VanDerWaalsContact CA-O 3.31Å; H652-Y665 WeakPolarHBondContact CA-O 3.34Å; H652-L667 VanDerWaalsContact O-CD1 3.31Å; H652-L667 WeakPolarHBondContact O-CD1 3.25Å; H652-F688 HydrophobicContact CB-CZ 4.37Å; H652-Y718 WeakPolarHBondContact CB-OH 3.46Å; H652-Y718 VanDerWaalsContact CG-OH 3.28Å; H652-Y718 PolarHBondContact ND1-OH 3.11Å |
| 653 | L | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 112.8 | 169.4 | 170.8 | 61.4 | 0 | 0 | 0 | 108.4 | V481 I489 F491 I644 I646 V664 Y665 L667 | V481-L653 HydrophobicContact CG1-CD2 4.29Å; I489-L653 HydrophobicContact CG2-CD2 4.13Å; F491-L653 HydrophobicContact CE1-CD2 4.29Å; F491-L653 HydrophobicContact CE2-CD2 4.43Å; F491-L653 HydrophobicContact CZ-CD2 3.64Å; I644-L653 HydrophobicContact CB-CD1 4.26Å; I644-L653 HydrophobicContact CG2-CD1 4.49Å; I646-L653 HydrophobicContact CG1-CD1 3.82Å; L653-V664 WeakPolarHBondContact O-CA 3.38Å; L653-Y665 PolarHBondContact N-O 3.2Å; L653-Y665 PolarHBondContact O-N 3.2Å; L653-L667 HydrophobicContact CB-CD1 4.42Å; L653-L667 HydrophobicContact CB-CD2 4.07Å; L653-L667 HydrophobicContact CB-CG 3.98Å |
| 654 | A | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 141.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I644 C645 L662 R663 L686 F688 L700 | I644-A654 CarbonylContact C-O 3.54Å; I644-A654 VanDerWaalsContact CA-O 3.24Å; I644-A654 WeakPolarHBondContact CA-O 3.49Å; C645-A654 PolarHBondContact N-O 3.24Å; C645-A654 PolarHBondContact O-N 3.04Å; A654-L662 HydrophobicContact CB-CD1 4.18Å; A654-R663 CarbonylContact C-O 3.48Å; A654-R663 WeakPolarHBondContact CA-O 3.35Å; A654-L686 HydrophobicContact CB-CD1 4.08Å; A654-F688 HydrophobicContact CB-CE2 3.54Å; A654-F688 HydrophobicContact CB-CZ 3.87Å; A654-L700 HydrophobicContact CB-CD1 4.5Å; A654-L700 HydrophobicContact CB-CD2 3.96Å |
| 655 | A | 96.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 134.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | I489 V641 T643 I644 R663 Y665 | I489-A655 HydrophobicContact CD1-CB 3.59Å; V641-A655 HydrophobicContact CG1-CB 4.08Å; T643-A655 CarbonylContact O-C 3.59Å; T643-A655 WeakPolarHBondContact O-CA 3.44Å; I644-A655 HydrophobicContact CG2-CB 3.84Å; A655-R663 HydrophobicContact CB-CB 4.48Å; A655-R663 PolarHBondContact N-O 2.96Å; A655-R663 PolarHBondContact O-N 3.48Å; A655-Y665 HydrophobicContact CB-CE2 4.36Å |
| 656 | G | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R642 T643 | R642-G656 PolarHBondContact N-O 2.94Å; T643-G656 PolarHBondContact N-O 3.45Å; T643-G656 VanDerWaalsContact N-O 3.16Å; T643-G656 PolarHBondContact O-N 2.84Å |
| 657 | D | 92.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 175.3 | -178.5 | 67.3 | 28.6 | 0 | 0 | 0 | 114.1 | G640 D659 G660 S661 R663 I683 | G640-D657 WeakPolarHBondContact O-CA 3.3Å; G640-D657 WeakPolarHBondContact O-CB 3.43Å; D657-D659 PolarHBondContact O-N 2.88Å; D657-D659 PolarHBondContact OD1-N 3.27Å; D657-D659 VanDerWaalsContact OD1-N 3.12Å; D657-G660 PolarHBondContact O-N 3.2Å; D657-G660 PolarHBondContact OD1-N 2.88Å; D657-S661 PolarHBondContact N-O 3.37Å; D657-S661 VanDerWaalsContact N-O 3.11Å; D657-S661 WeakPolarHBondContact OD1-CB 3.36Å; D657-S661 PolarHBondContact OD1-N 3.27Å; D657-R663 IonicContact OD2-CZ 2.75Å; D657-R663 IonicContact OD2-NE 2.74Å; D657-R663 PolarHBondContact OD2-NE 2.87Å; D657-R663 IonicContact OD2-NH2 3.89Å; D657-R663 PolarHBondContact OD2-NH2 3.4Å; D657-I683 PolarHBondContact O-N 2.56Å |
| 658 | R | 91.3 | Very high | 90.4 | Very high | 100 Ų | 100 | 26.5 Ų | 26.5 | 38% | 0.377 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.3 | 179.8 | -170.8 | 178.2 | -177.1 | -175.9 | -2.1 | 113.1 | G640 G660 E682 E1457 | G640-R658 PolarHBondContact O-N 3.24Å; R658-G660 VanDerWaalsContact C-N 3.28Å; R658-G660 PolarHBondContact O-N 2.94Å; R658-E682 HydrophobicContact CG-CB 4.27Å; R658-E682 WeakPolarHBondContact O-CA 3.29Å; R658-E682 WeakPolarHBondContact O-CB 3.48Å; R658-E682 PolarHBondContact O-N 2.64Å; R658-E1457 IonicContact CZ-OE1 2.65Å; R658-E1457 IonicContact NH1-OE1 3.72Å; R658-E1457 IonicContact NH2-OE1 3.58Å; R658-E1457 PolarHBondContact NH2-OE1 2.85Å |
| 659 | D | 89.5 | Confident | 90.2 | Very high | 82 Ų | 82 | 28.1 Ų | 28.1 | 44% | 0.439 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 8.3 | -175.5 | -53.9 | -44.7 | 0 | 0 | 0 | 112.2 | T639 D657 S661 | T639-D659 WeakPolarHBondContact CG2-OD2 3.21Å; D657-D659 PolarHBondContact O-N 2.88Å; D657-D659 PolarHBondContact OD1-N 3.27Å; D657-D659 VanDerWaalsContact OD1-N 3.12Å; D659-S661 VanDerWaalsContact C-N 3.32Å; D659-S661 PolarHBondContact O-N 2.96Å |
| 660 | G | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 79.5 | 9.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D657 R658 A678 H679 N681 | D657-G660 PolarHBondContact O-N 3.2Å; D657-G660 PolarHBondContact OD1-N 2.88Å; R658-G660 VanDerWaalsContact C-N 3.28Å; R658-G660 PolarHBondContact O-N 2.94Å; G660-A678 PolarHBondContact O-N 3.45Å; G660-A678 VanDerWaalsContact O-N 3.09Å; G660-H679 WeakPolarHBondContact CA-O 3.38Å; G660-H679 PolarHBondContact O-N 3.1Å; G660-N681 WeakPolarHBondContact CA-O 3.33Å |
| 661 | S | 93.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 34 Ų | 34 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.1 | 176.6 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | D657 D659 I676 | D657-S661 PolarHBondContact N-O 3.37Å; D657-S661 VanDerWaalsContact N-O 3.11Å; D657-S661 WeakPolarHBondContact OD1-CB 3.36Å; D657-S661 PolarHBondContact OD1-N 3.27Å; D659-S661 VanDerWaalsContact C-N 3.32Å; D659-S661 PolarHBondContact O-N 2.96Å; S661-I676 WeakPolarHBondContact CA-O 3.5Å |
| 662 | L | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.7 | 168.5 | 171.7 | 58.9 | 0 | 0 | 0 | 108.9 | A654 Q675 I676 A678 I683 L686 L700 F712 | A654-L662 HydrophobicContact CB-CD1 4.18Å; L662-Q675 WeakPolarHBondContact O-CA 3.49Å; L662-I676 HydrophobicContact CB-CB 4.36Å; L662-I676 HydrophobicContact CD2-CD1 4.47Å; L662-I676 PolarHBondContact N-O 2.85Å; L662-I676 PolarHBondContact O-N 2.89Å; L662-A678 HydrophobicContact CB-CB 3.87Å; L662-I683 HydrophobicContact CB-CD1 4.09Å; L662-L686 HydrophobicContact CD1-CD1 4.05Å; L662-L686 HydrophobicContact CD1-CD2 3.85Å; L662-L700 HydrophobicContact CD1-CD2 4.27Å; L662-L700 HydrophobicContact CD2-CD2 3.96Å; L662-F712 HydrophobicContact CD2-CD2 3.9Å; L662-F712 HydrophobicContact CD2-CE2 3.64Å; L662-F712 HydrophobicContact CD2-CZ 4.13Å |
| 663 | R | 93.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.7 | 179.9 | -62.6 | 161.6 | -172.7 | -105.7 | 11.2 | 108.9 | T540 A654 A655 D657 Y665 L672 Y674 Q675 | T540-R663 PolarHBondContact O-NH1 3.39Å; A654-R663 CarbonylContact C-O 3.48Å; A654-R663 WeakPolarHBondContact CA-O 3.35Å; A655-R663 HydrophobicContact CB-CB 4.48Å; A655-R663 PolarHBondContact N-O 2.96Å; A655-R663 PolarHBondContact O-N 3.48Å; D657-R663 IonicContact OD2-CZ 2.75Å; D657-R663 IonicContact OD2-NE 2.74Å; D657-R663 PolarHBondContact OD2-NE 2.87Å; D657-R663 IonicContact OD2-NH2 3.89Å; D657-R663 PolarHBondContact OD2-NH2 3.4Å; R663-Y665 HydrophobicContact CB-CE2 3.76Å; R663-L672 HydrophobicContact CB-CD1 3.86Å; R663-L672 HydrophobicContact CG-CD1 4.36Å; R663-Y674 CarbonylContact C-O 3.14Å; R663-Y674 WeakPolarHBondContact CA-O 3.44Å; R663-Q675 HydrophobicContact CG-CG 4.31Å |
| 664 | V | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.6 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | H652 L653 C673 Y674 Y718 | H652-V664 HydrophobicContact CB-CG1 4.02Å; L653-V664 WeakPolarHBondContact O-CA 3.38Å; V664-C673 PolarHBondContact O-N 3Å; V664-Y674 HydrophobicContact CB-CD2 4.16Å; V664-Y674 HydrophobicContact CG1-CD2 4.32Å; V664-Y674 PolarHBondContact N-O 3.3Å; V664-Y674 PolarHBondContact O-N 3.48Å; V664-Y718 HydrophobicContact CB-CE2 4.48Å; V664-Y718 HydrophobicContact CG1-CE1 4.3Å; V664-Y718 HydrophobicContact CG1-CE2 3.85Å; V664-Y718 WeakPolarHBondContact CG1-OH 3.28Å; V664-Y718 HydrophobicContact CG2-CD1 4.07Å; V664-Y718 HydrophobicContact CG2-CD2 4.48Å; V664-Y718 HydrophobicContact CG2-CE1 3.83Å; V664-Y718 HydrophobicContact CG2-CE2 4.28Å; V664-Y718 HydrophobicContact CG2-CG 4.39Å |
| 665 | Y | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.9 | 177.4 | -59.9 | -95.4 | 0 | 0 | 0 | 110.5 | I489 I538 Y546 H652 L653 A655 R663 K671 L672 | I489-Y665 HydrophobicContact CD1-CE2 4.15Å; I538-Y665 HydrophobicContact CD1-CD1 4.04Å; I538-Y665 HydrophobicContact CD1-CG 4.11Å; I538-Y665 HydrophobicContact CG2-CD1 3.95Å; I538-Y665 HydrophobicContact CG2-CE1 3.44Å; I538-Y665 VanDerWaalsContact CG2-CE1 3.44Å; I538-Y665 HydrophobicContact CG2-CE2 4.38Å; Y546-Y665 HydrophobicContact CE1-CD1 4.38Å; Y546-Y665 HydrophobicContact CE1-CE1 4.03Å; H652-Y665 CarbonylContact C-O 3.58Å; H652-Y665 VanDerWaalsContact CA-O 3.31Å; H652-Y665 WeakPolarHBondContact CA-O 3.34Å; L653-Y665 PolarHBondContact N-O 3.2Å; L653-Y665 PolarHBondContact O-N 3.2Å; A655-Y665 HydrophobicContact CB-CE2 4.36Å; R663-Y665 HydrophobicContact CB-CE2 3.76Å; Y665-K671 CarbonylContact C-O 3.56Å; Y665-K671 VanDerWaalsContact CA-O 3.25Å; Y665-K671 WeakPolarHBondContact CA-O 3.45Å; Y665-L672 HydrophobicContact CD1-CB 3.97Å; Y665-L672 HydrophobicContact CD1-CD1 4.18Å; Y665-L672 HydrophobicContact CD2-CD1 4.46Å; Y665-L672 HydrophobicContact CE1-CB 3.8Å; Y665-L672 HydrophobicContact CE1-CD1 3.79Å; Y665-L672 HydrophobicContact CE1-CG 4.39Å; Y665-L672 HydrophobicContact CE2-CD1 4.1Å; Y665-L672 HydrophobicContact CG-CD1 4.49Å |
| 666 | S | 89.2 | Confident | 90.2 | Very high | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.7 | 166 | 160.7 | 0 | 0 | 0 | 0 | 109.1 | E668 T669 L670 K671 C673 | S666-E668 VanDerWaalsContact C-N 3.34Å; S666-E668 PolarHBondContact OG-N 3.29Å; S666-T669 VanDerWaalsContact CB-OG1 3.25Å; S666-T669 WeakPolarHBondContact CB-OG1 3.42Å; S666-T669 PolarHBondContact OG-N 3.27Å; S666-T669 PolarHBondContact OG-OG1 3.16Å; S666-L670 WeakPolarHBondContact O-CA 3.29Å; S666-L670 PolarHBondContact O-N 3.19Å; S666-K671 PolarHBondContact N-O 2.96Å; S666-C673 VanDerWaalsContact CB-SG 3.59Å; S666-C673 PolarHBondContact N-SG 3.04Å |
| 667 | L | 85.1 | Confident | 90.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.7 | 176.8 | -88.6 | 167 | 0 | 0 | 0 | 112.8 | P472 W474 W475 F491 I646 G650 R651 H652 L653 L670 | P472-L667 HydrophobicContact CG-CB 4.37Å; W474-L667 WeakPolarHBondContact CZ2-O 3.13Å; W475-L667 HydrophobicContact CZ3-CD2 4.25Å; F491-L667 HydrophobicContact CE1-CD2 3.77Å; F491-L667 HydrophobicContact CZ-CD2 4.21Å; I646-L667 HydrophobicContact CG2-CD1 3.7Å; G650-L667 VanDerWaalsContact O-CB 3.3Å; G650-L667 WeakPolarHBondContact O-CB 3.37Å; G650-L667 WeakPolarHBondContact O-CD1 3.41Å; R651-L667 PolarHBondContact O-N 3.38Å; H652-L667 VanDerWaalsContact O-CD1 3.31Å; H652-L667 WeakPolarHBondContact O-CD1 3.25Å; L653-L667 HydrophobicContact CB-CD1 4.42Å; L653-L667 HydrophobicContact CB-CD2 4.07Å; L653-L667 HydrophobicContact CB-CG 3.98Å; L667-L670 WeakPolarHBondContact O-CD2 3.5Å |
| 668 | E | 80.2 | Confident | 90.2 | Very high | 131 Ų | 131 | 47.6 Ų | 47.6 | 61% | 0.612 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -40.1 | 176.2 | -175.6 | 179.1 | -176 | 0 | 0 | 112.2 | S666 | S666-E668 VanDerWaalsContact C-N 3.34Å; S666-E668 PolarHBondContact OG-N 3.29Å |
| 669 | T | 80.2 | Confident | 90.5 | Very high | 61 Ų | 61 | 43.3 Ų | 43.3 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -9.1 | -171.6 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | S666 K671 | S666-T669 VanDerWaalsContact CB-OG1 3.25Å; S666-T669 WeakPolarHBondContact CB-OG1 3.42Å; S666-T669 PolarHBondContact OG-N 3.27Å; S666-T669 PolarHBondContact OG-OG1 3.16Å; T669-K671 PolarHBondContact O-N 3.09Å; T669-K671 VanDerWaalsContact O-N 3.09Å; T669-K671 PolarHBondContact OG1-N 2.7Å |
| 670 | L | 83.5 | Confident | 90.7 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | trans | 54.8 | 14.3 | -170.8 | -52.6 | -168.7 | 0 | 0 | 0 | 115.4 | W474 F491 I538 S666 L667 | W474-L670 HydrophobicContact CZ2-CD2 4.45Å; F491-L670 HydrophobicContact CE1-CD2 4.3Å; F491-L670 HydrophobicContact CE2-CD1 4.22Å; F491-L670 HydrophobicContact CE2-CD2 4.19Å; F491-L670 HydrophobicContact CZ-CD2 3.74Å; I538-L670 HydrophobicContact CD1-CB 4.09Å; I538-L670 HydrophobicContact CD1-CD2 4.33Å; I538-L670 HydrophobicContact CG1-CB 4.2Å; S666-L670 WeakPolarHBondContact O-CA 3.29Å; S666-L670 PolarHBondContact O-N 3.19Å; L667-L670 WeakPolarHBondContact O-CD2 3.5Å | ||
| 671 | K | 84.7 | Confident | 90.8 | Very high | 139 Ų | 139 | 50 Ų | 50 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | trans | -81.9 | 143.3 | 176.2 | -65.4 | 176.4 | -179 | 175.7 | 0 | 111.2 | Y665 S666 T669 C673 | Y665-K671 CarbonylContact C-O 3.56Å; Y665-K671 VanDerWaalsContact CA-O 3.25Å; Y665-K671 WeakPolarHBondContact CA-O 3.45Å; S666-K671 PolarHBondContact N-O 2.96Å; T669-K671 PolarHBondContact O-N 3.09Å; T669-K671 VanDerWaalsContact O-N 3.09Å; T669-K671 PolarHBondContact OG1-N 2.7Å; K671-C673 PolarHBondContact O-N 2.74Å | ||
| 672 | L | 89.2 | Confident | 90.8 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 122.8 | 167.4 | -175.9 | 71.3 | 0 | 0 | 0 | 109.7 | Y546 R663 Y665 Y674 Q675 | Y546-L672 VanDerWaalsContact OH-CB 3.31Å; Y546-L672 WeakPolarHBondContact OH-CB 3.44Å; R663-L672 HydrophobicContact CB-CD1 3.86Å; R663-L672 HydrophobicContact CG-CD1 4.36Å; Y665-L672 HydrophobicContact CD1-CB 3.97Å; Y665-L672 HydrophobicContact CD1-CD1 4.18Å; Y665-L672 HydrophobicContact CD2-CD1 4.46Å; Y665-L672 HydrophobicContact CE1-CB 3.8Å; Y665-L672 HydrophobicContact CE1-CD1 3.79Å; Y665-L672 HydrophobicContact CE1-CG 4.39Å; Y665-L672 HydrophobicContact CE2-CD1 4.1Å; Y665-L672 HydrophobicContact CG-CD1 4.49Å; L672-Y674 VanDerWaalsContact CD1-O 3.31Å; L672-Y674 WeakPolarHBondContact CD1-O 3.39Å; L672-Q675 HydrophobicContact CD2-CB 4.31Å |
| 673 | C | 90.5 | Very high | 90.9 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -44.2 | 175.8 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | V664 S666 K671 | V664-C673 PolarHBondContact O-N 3Å; S666-C673 VanDerWaalsContact CB-SG 3.59Å; S666-C673 PolarHBondContact N-SG 3.04Å; K671-C673 PolarHBondContact O-N 2.74Å |
| 674 | Y | 92.7 | Very high | 91.1 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 141.5 | -177.9 | -57.1 | -88.1 | 0 | 0 | 0 | 110.9 | R663 V664 L672 E717 Y718 | R663-Y674 CarbonylContact C-O 3.14Å; R663-Y674 WeakPolarHBondContact CA-O 3.44Å; V664-Y674 HydrophobicContact CB-CD2 4.16Å; V664-Y674 HydrophobicContact CG1-CD2 4.32Å; V664-Y674 PolarHBondContact N-O 3.3Å; V664-Y674 PolarHBondContact O-N 3.48Å; L672-Y674 VanDerWaalsContact CD1-O 3.31Å; L672-Y674 WeakPolarHBondContact CD1-O 3.39Å; Y674-E717 HydrophobicContact CE1-CB 4.03Å; Y674-Y718 AromaticContact CD2-CD2 3.5Å; Y674-Y718 HydrophobicContact CD2-CD2 3.5Å; Y674-Y718 VanDerWaalsContact CD2-CD2 3.5Å; Y674-Y718 AromaticContact CD2-CE2 3.74Å; Y674-Y718 HydrophobicContact CD2-CE2 3.74Å; Y674-Y718 HydrophobicContact CD2-CG 4.49Å; Y674-Y718 AromaticContact CE2-CD2 3.54Å; Y674-Y718 HydrophobicContact CE2-CD2 3.54Å; Y674-Y718 AromaticContact CE2-CE2 3.71Å; Y674-Y718 HydrophobicContact CE2-CE2 3.71Å; Y674-Y718 HydrophobicContact CG-CD2 4.08Å |
| 675 | Q | 92.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.2 | 165.4 | 178.9 | 175.5 | -14.2 | 0 | 0 | 108.1 | L662 R663 L672 | L662-Q675 WeakPolarHBondContact O-CA 3.49Å; R663-Q675 HydrophobicContact CG-CG 4.31Å; L672-Q675 HydrophobicContact CD2-CB 4.31Å |
| 676 | I | 94.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 51 Ų | 51 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.5 | -171.5 | -57.1 | 171.7 | 0 | 0 | 0 | 107.1 | S661 L662 A678 F712 | S661-I676 WeakPolarHBondContact CA-O 3.5Å; L662-I676 HydrophobicContact CB-CB 4.36Å; L662-I676 HydrophobicContact CD2-CD1 4.47Å; L662-I676 PolarHBondContact N-O 2.85Å; L662-I676 PolarHBondContact O-N 2.89Å; I676-A678 VanDerWaalsContact C-N 3.28Å; I676-A678 HydrophobicContact CG2-CB 4.36Å; I676-A678 PolarHBondContact O-N 2.97Å; I676-F712 HydrophobicContact CG2-CE1 4.2Å; I676-F712 HydrophobicContact CG2-CZ 4.46Å |
| 677 | P | 93.9 | Very high | 91.7 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 72% | 0.721 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 93.6 | 165.9 | 29.1 | -31.2 | 0 | 0 | 0 | 107.2 | ||
| 678 | A | 94.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 52 Ų | 52 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | trans | -87.8 | -42.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G660 L662 I676 I683 H710 F712 | G660-A678 PolarHBondContact O-N 3.45Å; G660-A678 VanDerWaalsContact O-N 3.09Å; L662-A678 HydrophobicContact CB-CB 3.87Å; I676-A678 VanDerWaalsContact C-N 3.28Å; I676-A678 HydrophobicContact CG2-CB 4.36Å; I676-A678 PolarHBondContact O-N 2.97Å; A678-I683 HydrophobicContact CB-CD1 4.31Å; A678-H710 PolarHBondContact O-CD2 3.1Å; A678-H710 PolarHBondContact O-NE2 2.95Å; A678-H710 VanDerWaalsContact O-NE2 3.11Å; A678-F712 HydrophobicContact CB-CZ 3.99Å | ||
| 679 | H | 96.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | trans | -132.9 | 157.3 | -169.9 | -71.8 | -78.8 | 0 | 0 | 0 | 111.5 | G660 N681 I683 S702 S704 D706 M708 H710 | G660-H679 WeakPolarHBondContact CA-O 3.38Å; G660-H679 PolarHBondContact O-N 3.1Å; H679-N681 WeakPolarHBondContact CB-O 3.22Å; H679-N681 PolarHBondContact O-N 2.92Å; H679-I683 HydrophobicContact CB-CG1 4.5Å; H679-S702 PolarHBondContact NE2-OG 2.82Å; H679-S704 VanDerWaalsContact ND1-CB 3.33Å; H679-S704 WeakPolarHBondContact ND1-CB 3.43Å; H679-D706 VanDerWaalsContact CB-OD2 3.3Å; H679-D706 WeakPolarHBondContact CB-OD2 3.25Å; H679-D706 IonicContact CE1-OD2 3.58Å; H679-D706 IonicContact CG-OD2 3.54Å; H679-D706 IonicContact ND1-OD1 2.73Å; H679-D706 PolarHBondContact ND1-OD1 3Å; H679-D706 IonicContact ND1-OD2 3.74Å; H679-D706 PolarHBondContact ND1-OD2 2.85Å; H679-M708 PolarHBondContact CE1-O 3.41Å; H679-H710 AromaticContact CE1-CD2 3.65Å; H679-H710 AromaticContact CE1-CG 3.87Å; H679-H710 AromaticContact CE1-NE2 3.99Å; H679-H710 AromaticContact ND1-CD2 3.98Å; H679-H710 AromaticContact ND1-NE2 3.99Å; H679-H710 AromaticContact NE2-CD2 3.94Å | ||
| 680 | D | 94.6 | Very high | 93.2 | Very high | 157 Ų | 157 | 45.4 Ų | 45.4 | 84% | 0.84 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -82.9 | 3.7 | 174.1 | -67.9 | -39.1 | 0 | 0 | 0 | 112.8 | D706 | D680-D706 PolarHBondContact N-OD2 2.84Š|
| 681 | N | 94.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -158.2 | 171.4 | -176.5 | -141.9 | -69 | 0 | 0 | 0 | 112 | G660 H679 I683 S704 R705 D706 | G660-N681 WeakPolarHBondContact CA-O 3.33Å; H679-N681 WeakPolarHBondContact CB-O 3.22Å; H679-N681 PolarHBondContact O-N 2.92Å; N681-I683 PolarHBondContact O-N 2.85Å; N681-S704 VanDerWaalsContact C-OG 3.25Å; N681-S704 PolarHBondContact O-OG 3.15Å; N681-R705 HydrophobicContact CB-CB 4.19Å; N681-D706 HydrophobicContact CB-CB 3.9Å |
| 682 | E | 94.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -55.1 | 128 | -171.6 | 65.5 | -169.3 | 161.7 | 0 | 0 | 113.9 | R642 R658 L684 S704 R705 | R642-E682 HydrophobicContact CG-CB 4.28Å; R642-E682 IonicContact CZ-OE2 3.19Å; R642-E682 VanDerWaalsContact CZ-OE2 3.22Å; R642-E682 IonicContact NE-OE2 2.76Å; R642-E682 PolarHBondContact NE-OE2 3.3Å; R642-E682 IonicContact NH2-OE2 3.6Å; R642-E682 PolarHBondContact NH2-OE2 2.94Å; R658-E682 HydrophobicContact CG-CB 4.27Å; R658-E682 WeakPolarHBondContact O-CA 3.29Å; R658-E682 WeakPolarHBondContact O-CB 3.48Å; R658-E682 PolarHBondContact O-N 2.64Å; E682-L684 HydrophobicContact CG-CD2 4.05Å; E682-L684 PolarHBondContact O-N 2.75Å; E682-S704 PolarHBondContact O-OG 2.89Å; E682-S704 VanDerWaalsContact O-OG 3.06Å; E682-R705 HydrophobicContact CG-CB 3.85Å; E682-R705 HydrophobicContact CG-CG 4.49Å; E682-R705 PolarHBondContact O-N 2.97Å; E682-R705 VanDerWaalsContact O-N 3.09Å; E682-R705 WeakPolarHBondContact OE1-CD 3.5Å; E682-R705 IonicContact OE1-CZ 2.83Å; E682-R705 IonicContact OE1-NE 2.75Å; E682-R705 IonicContact OE1-NH1 2.74Å; E682-R705 PolarHBondContact OE1-NH1 3.38Å | ||
| 683 | I | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122 | -179.5 | -49.8 | -173.6 | 0 | 0 | 0 | 109.2 | R642 T643 D657 L662 A678 H679 N681 L686 | R642-I683 WeakPolarHBondContact CB-O 3.41Å; T643-I683 HydrophobicContact CG2-CB 4.33Å; T643-I683 HydrophobicContact CG2-CG2 3.95Å; T643-I683 WeakPolarHBondContact CG2-O 3.5Å; D657-I683 PolarHBondContact O-N 2.56Å; L662-I683 HydrophobicContact CB-CD1 4.09Å; A678-I683 HydrophobicContact CB-CD1 4.31Å; H679-I683 HydrophobicContact CB-CG1 4.5Å; N681-I683 PolarHBondContact O-N 2.85Å; I683-L686 HydrophobicContact CG2-CD2 4.27Å; I683-L686 HydrophobicContact CG2-CG 4.31Å |
| 684 | L | 96.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -28.9 | -172.6 | -62.7 | 178.9 | 0 | 0 | 0 | 113.2 | E682 A703 R705 A730 I731 F732 | E682-L684 HydrophobicContact CG-CD2 4.05Å; E682-L684 PolarHBondContact O-N 2.75Å; L684-A703 PolarHBondContact N-O 2.84Å; L684-R705 HydrophobicContact CD1-CB 4.05Å; L684-R705 HydrophobicContact CG-CB 4.48Å; L684-A730 HydrophobicContact CD1-CB 4.31Å; L684-I731 WeakPolarHBondContact CB-O 3.36Å; L684-I731 WeakPolarHBondContact CD1-O 3.36Å; L684-F732 HydrophobicContact CD1-CD1 3.95Å; L684-F732 HydrophobicContact CD1-CE1 4.19Å |
| 685 | S | 97.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.2 | 178.7 | -172.9 | 0 | 0 | 0 | 0 | 111 | S702 A703 A734 | S685-S702 WeakPolarHBondContact O-CA 3.44Å; S685-A703 PolarHBondContact N-O 3.12Å; S685-A703 VanDerWaalsContact N-O 3.12Å; S685-A703 PolarHBondContact O-N 3.28Å; S685-A734 PolarHBondContact OG-N 2.72Å; S685-A734 PolarHBondContact OG-O 2.71Å |
| 686 | L | 97.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.4 | 163.5 | -74.4 | 174.6 | 0 | 0 | 0 | 108.9 | T643 C645 A654 L662 I683 L700 C701 | T643-L686 HydrophobicContact CG2-CB 4.31Å; T643-L686 HydrophobicContact CG2-CD1 3.88Å; T643-L686 HydrophobicContact CG2-CG 3.72Å; C645-L686 HydrophobicContact CB-CB 3.86Å; A654-L686 HydrophobicContact CB-CD1 4.08Å; L662-L686 HydrophobicContact CD1-CD1 4.05Å; L662-L686 HydrophobicContact CD1-CD2 3.85Å; I683-L686 HydrophobicContact CG2-CD2 4.27Å; I683-L686 HydrophobicContact CG2-CG 4.31Å; L686-L700 HydrophobicContact CD2-CD1 4.23Å; L686-C701 CarbonylContact C-O 3.56Å; L686-C701 WeakPolarHBondContact CA-O 3.44Å |
| 687 | N | 96.3 | Very high | 90.8 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 114.6 | 172.8 | 172.7 | -124.6 | 0 | 0 | 0 | 110.8 | C701 K735 I736 | N687-C701 PolarHBondContact N-O 2.89Å; N687-C701 PolarHBondContact O-N 3.26Å; N687-K735 HydrophobicContact CB-CG 4.39Å; N687-K735 VanDerWaalsContact OD1-CA 3.23Å; N687-K735 WeakPolarHBondContact OD1-CA 3.44Å; N687-I736 PolarHBondContact OD1-N 3.01Å |
| 688 | F | 94.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 43 Ų | 43 | 4% | 0.044 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 145.8 | 161.7 | -77.3 | -77.9 | 0 | 0 | 0 | 110.9 | C645 P648 H652 A654 L699 L700 P714 Y718 | C645-F688 HydrophobicContact CB-CD2 4.24Å; C645-F688 WeakPolarHBondContact O-CE2 3.49Å; P648-F688 HydrophobicContact CG-CB 4.38Å; H652-F688 HydrophobicContact CB-CZ 4.37Å; A654-F688 HydrophobicContact CB-CE2 3.54Å; A654-F688 HydrophobicContact CB-CZ 3.87Å; F688-L699 CarbonylContact C-O 3.38Å; F688-L699 WeakPolarHBondContact CA-O 3.35Å; F688-L700 HydrophobicContact CD1-CB 3.87Å; F688-L700 HydrophobicContact CD1-CD1 4Å; F688-L700 HydrophobicContact CD1-CG 4.37Å; F688-L700 HydrophobicContact CD2-CD1 4.04Å; F688-L700 HydrophobicContact CE1-CB 3.89Å; F688-L700 HydrophobicContact CE1-CD1 4.18Å; F688-L700 HydrophobicContact CE1-CD2 4.03Å; F688-L700 HydrophobicContact CE1-CG 4.26Å; F688-L700 HydrophobicContact CE2-CD1 4.22Å; F688-L700 HydrophobicContact CG-CD1 3.94Å; F688-L700 HydrophobicContact CZ-CD1 4.29Å; F688-L700 HydrophobicContact CZ-CD2 4Å; F688-P714 HydrophobicContact CD1-CG 4.39Å; F688-P714 HydrophobicContact CE1-CG 3.96Å; F688-Y718 AromaticContact CE1-CE1 3.91Å; F688-Y718 HydrophobicContact CE1-CE1 3.91Å; F688-Y718 HydrophobicContact CZ-CE1 4.09Å |
| 689 | F | 92.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.7 | 173.6 | 162.8 | -97.7 | 0 | 0 | 0 | 109.8 | L698 L699 I736 E738 I744 | F689-L698 CarbonylContact O-C 3.38Å; F689-L698 WeakPolarHBondContact O-CA 3.38Å; F689-L699 HydrophobicContact CD1-CB 4.42Å; F689-L699 HydrophobicContact CD1-CD1 4.34Å; F689-L699 PolarHBondContact N-O 3.36Å; F689-L699 PolarHBondContact O-N 2.92Å; F689-I736 HydrophobicContact CB-CB 3.68Å; F689-I736 HydrophobicContact CB-CD1 4.44Å; F689-I736 HydrophobicContact CB-CG2 3.99Å; F689-I736 HydrophobicContact CD1-CB 4.22Å; F689-I736 HydrophobicContact CD1-CG2 3.54Å; F689-I736 HydrophobicContact CD2-CB 4.32Å; F689-I736 HydrophobicContact CD2-CG2 3.97Å; F689-I736 WeakPolarHBondContact CD2-O 3.35Å; F689-I736 HydrophobicContact CE1-CG2 3.97Å; F689-I736 HydrophobicContact CE2-CG2 4.37Å; F689-I736 HydrophobicContact CG-CB 3.81Å; F689-I736 HydrophobicContact CG-CG2 3.53Å; F689-I736 HydrophobicContact CZ-CG2 4.36Å; F689-E738 HydrophobicContact CE2-CB 4.05Å; F689-E738 HydrophobicContact CZ-CB 4.16Å; F689-I744 HydrophobicContact CE1-CD1 4.05Å; F689-I744 HydrophobicContact CE1-CG1 4.48Å; F689-I744 HydrophobicContact CE1-CG2 3.83Å; F689-I744 HydrophobicContact CZ-CD1 3.98Å; F689-I744 HydrophobicContact CZ-CG1 4.05Å; F689-I744 HydrophobicContact CZ-CG2 3.87Å |
| 690 | Q | 89.5 | Confident | 90.7 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.3 | 167.7 | -172.9 | 176.4 | 10 | 0 | 0 | 107.6 | P648 P695 L697 L698 | P648-Q690 HydrophobicContact CB-CB 4.41Å; P648-Q690 HydrophobicContact CG-CB 4.21Å; Q690-P695 PolarHBondContact NE2-O 3.15Å; Q690-L697 WeakPolarHBondContact CA-O 3.39Å; Q690-L698 HydrophobicContact CB-CD1 3.98Å; Q690-L698 HydrophobicContact CG-CD1 4.44Å |
| 691 | S | 87.7 | Confident | 90.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | trans | -74.5 | 140.7 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | S693 V694 P695 L697 E738 | S691-S693 PolarHBondContact OG-N 2.93Å; S691-V694 WeakPolarHBondContact CB-O 3.5Å; S691-V694 CarbonylContact O-C 3.55Å; S691-V694 PolarHBondContact OG-N 3.02Å; S691-P695 WeakPolarHBondContact O-CA 3.48Å; S691-L697 PolarHBondContact N-O 3.33Å; S691-E738 WeakPolarHBondContact CA-OE2 3.35Å; S691-E738 WeakPolarHBondContact CB-OE2 3.31Å; S691-E738 PolarHBondContact OG-OE2 3.4Å | ||
| 692 | Y | 77.4 | Confident | 91 | Very high | 103 Ų | 103 | 31.9 Ų | 31.9 | 40% | 0.404 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -81 | -34 | 171.3 | -60.4 | -81 | 0 | 0 | 0 | 111.2 | E738 M791 | Y692-E738 PolarHBondContact N-OE2 2.77Å; Y692-M791 HydrophobicContact CD2-SD 3.77Å; Y692-M791 HydrophobicContact CE2-CB 3.98Å; Y692-M791 HydrophobicContact CE2-SD 3.87Å; Y692-M791 HydrophobicContact CG-SD 4.39Å |
| 693 | S | 79.1 | Confident | 91.1 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 41% | 0.406 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -79.2 | -29.9 | 177.1 | -60.3 | 0 | 0 | 0 | 0 | 113.2 | S691 E738 R799 | S691-S693 PolarHBondContact OG-N 2.93Å; S693-E738 WeakPolarHBondContact CB-OE1 3.22Å; S693-E738 PolarHBondContact N-OE1 2.9Å; S693-E738 PolarHBondContact N-OE2 2.86Å; S693-E738 VanDerWaalsContact N-OE2 3.11Å; S693-E738 PolarHBondContact OG-OE1 3.11Å; S693-R799 PolarHBondContact OG-NH2 3.19Å |
| 694 | V | 84 | Confident | 91.2 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 45% | 0.448 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -126.6 | 81.9 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 109.3 | S691 Q696 L697 | S691-V694 WeakPolarHBondContact CB-O 3.5Å; S691-V694 CarbonylContact O-C 3.55Å; S691-V694 PolarHBondContact OG-N 3.02Å; V694-Q696 PolarHBondContact O-N 2.86Å; V694-L697 HydrophobicContact CB-CB 4.07Å; V694-L697 HydrophobicContact CG1-CB 3.9Å; V694-L697 WeakPolarHBondContact O-CB 3.5Å; V694-L697 PolarHBondContact O-N 3.35Å |
| 695 | P | 78.3 | Confident | 91.2 | Very high | 68 Ų | 68 | 34 Ų | 34 | 44% | 0.442 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.8 | -172.6 | -28.6 | 36.8 | 0 | 0 | 0 | 116.2 | Q690 S691 | Q690-P695 PolarHBondContact NE2-O 3.15Å; S691-P695 WeakPolarHBondContact O-CA 3.48Å |
| 696 | Q | 81.8 | Confident | 91.1 | Very high | 160 Ų | 160 | 34.8 Ų | 34.8 | 75% | 0.748 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -23.7 | 174.7 | -60.2 | 179.1 | 10.3 | 0 | 0 | 112.9 | V694 L698 N715 | V694-Q696 PolarHBondContact O-N 2.86Å; Q696-L698 PolarHBondContact O-N 2.82Å; Q696-L698 VanDerWaalsContact O-N 3.08Å; Q696-N715 PolarHBondContact O-ND2 2.97Å |
| 697 | L | 87.8 | Confident | 91.1 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | trans | -78.5 | 95.7 | 179.8 | -178.6 | 60.3 | 0 | 0 | 0 | 109.8 | Q690 S691 V694 L699 I744 L760 | Q690-L697 WeakPolarHBondContact CA-O 3.39Å; S691-L697 PolarHBondContact N-O 3.33Å; V694-L697 HydrophobicContact CB-CB 4.07Å; V694-L697 HydrophobicContact CG1-CB 3.9Å; V694-L697 WeakPolarHBondContact O-CB 3.5Å; V694-L697 PolarHBondContact O-N 3.35Å; L697-L699 HydrophobicContact CD1-CD1 4.15Å; L697-L699 HydrophobicContact CD1-CD2 4.09Å; L697-L699 HydrophobicContact CD1-CG 3.96Å; L697-L699 HydrophobicContact CG-CG 4.46Å; L697-I744 HydrophobicContact CD2-CD1 3.51Å; L697-L760 HydrophobicContact CD2-CD2 4.22Å | ||
| 698 | L | 90.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.6 | 172.5 | -179.6 | 67.4 | 0 | 0 | 0 | 107.8 | F689 Q690 Q696 P714 | F689-L698 CarbonylContact O-C 3.38Å; F689-L698 WeakPolarHBondContact O-CA 3.38Å; Q690-L698 HydrophobicContact CB-CD1 3.98Å; Q690-L698 HydrophobicContact CG-CD1 4.44Å; Q696-L698 PolarHBondContact O-N 2.82Å; Q696-L698 VanDerWaalsContact O-N 3.08Å; L698-P714 HydrophobicContact CD2-CB 3.89Å; L698-P714 HydrophobicContact CD2-CG 4.15Å; L698-P714 HydrophobicContact CG-CB 4.28Å; L698-P714 HydrophobicContact CG-CG 4.02Å; L698-P714 VanDerWaalsContact O-CD 3.28Å; L698-P714 WeakPolarHBondContact O-CD 3.46Å |
| 699 | L | 94.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.1 | -179.2 | -64 | 175.4 | 0 | 0 | 0 | 110.6 | F688 F689 L697 I711 F712 I736 F771 | F688-L699 CarbonylContact C-O 3.38Å; F688-L699 WeakPolarHBondContact CA-O 3.35Å; F689-L699 HydrophobicContact CD1-CB 4.42Å; F689-L699 HydrophobicContact CD1-CD1 4.34Å; F689-L699 PolarHBondContact N-O 3.36Å; F689-L699 PolarHBondContact O-N 2.92Å; L697-L699 HydrophobicContact CD1-CD1 4.15Å; L697-L699 HydrophobicContact CD1-CD2 4.09Å; L697-L699 HydrophobicContact CD1-CG 3.96Å; L697-L699 HydrophobicContact CG-CG 4.46Å; L699-I711 HydrophobicContact CB-CG2 4.46Å; L699-I711 HydrophobicContact CD1-CG2 4.32Å; L699-I711 HydrophobicContact CD2-CG2 4.12Å; L699-F712 WeakPolarHBondContact CA-O 3.5Å; L699-I736 HydrophobicContact CB-CD1 3.93Å; L699-I736 HydrophobicContact CD1-CD1 4.01Å; L699-F771 HydrophobicContact CD1-CE2 4.36Å; L699-F771 HydrophobicContact CD1-CZ 4.44Å |
| 700 | L | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.1 | 168.3 | 174.7 | 59 | 0 | 0 | 0 | 109.7 | A654 L662 L686 F688 F712 P714 Y718 | A654-L700 HydrophobicContact CB-CD1 4.5Å; A654-L700 HydrophobicContact CB-CD2 3.96Å; L662-L700 HydrophobicContact CD1-CD2 4.27Å; L662-L700 HydrophobicContact CD2-CD2 3.96Å; L686-L700 HydrophobicContact CD2-CD1 4.23Å; F688-L700 HydrophobicContact CD1-CB 3.87Å; F688-L700 HydrophobicContact CD1-CD1 4Å; F688-L700 HydrophobicContact CD1-CG 4.37Å; F688-L700 HydrophobicContact CD2-CD1 4.04Å; F688-L700 HydrophobicContact CE1-CB 3.89Å; F688-L700 HydrophobicContact CE1-CD1 4.18Å; F688-L700 HydrophobicContact CE1-CD2 4.03Å; F688-L700 HydrophobicContact CE1-CG 4.26Å; F688-L700 HydrophobicContact CE2-CD1 4.22Å; F688-L700 HydrophobicContact CG-CD1 3.94Å; F688-L700 HydrophobicContact CZ-CD1 4.29Å; F688-L700 HydrophobicContact CZ-CD2 4Å; L700-F712 HydrophobicContact CB-CB 4.42Å; L700-F712 PolarHBondContact N-O 3.41Å; L700-F712 PolarHBondContact O-N 2.71Å; L700-P714 HydrophobicContact CB-CG 4.38Å; L700-Y718 HydrophobicContact CD2-CD1 4.03Å; L700-Y718 HydrophobicContact CD2-CE1 3.81Å |
| 701 | C | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.9 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 110 | L686 N687 I709 H710 I711 I736 | L686-C701 CarbonylContact C-O 3.56Å; L686-C701 WeakPolarHBondContact CA-O 3.44Å; N687-C701 PolarHBondContact N-O 2.89Å; N687-C701 PolarHBondContact O-N 3.26Å; C701-I709 WeakPolarHBondContact SG-CG2 3.37Å; C701-H710 WeakPolarHBondContact CA-O 3.38Å; C701-I711 HydrophobicContact CB-CD1 4.07Å; C701-I736 HydrophobicContact CB-CD1 4Å; C701-I736 HydrophobicContact CB-CG1 4.13Å |
| 702 | S | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.6 | 163 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | H679 S685 I709 H710 F712 | H679-S702 PolarHBondContact NE2-OG 2.82Å; S685-S702 WeakPolarHBondContact O-CA 3.44Å; S702-I709 CarbonylContact O-C 3.56Å; S702-I709 VanDerWaalsContact O-CA 3.29Å; S702-I709 WeakPolarHBondContact O-CA 3.35Å; S702-I709 VanDerWaalsContact O-CG2 3.29Å; S702-I709 WeakPolarHBondContact O-CG2 3.44Å; S702-H710 PolarHBondContact N-O 3.4Å; S702-H710 PolarHBondContact O-N 3.1Å; S702-F712 WeakPolarHBondContact OG-CE2 3.44Å |
| 703 | A | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 140.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L684 S685 M708 I709 I731 A734 | L684-A703 PolarHBondContact N-O 2.84Å; S685-A703 PolarHBondContact N-O 3.12Å; S685-A703 VanDerWaalsContact N-O 3.12Å; S685-A703 PolarHBondContact O-N 3.28Å; A703-M708 WeakPolarHBondContact CA-O 3.31Å; A703-I709 HydrophobicContact CB-CG1 4.03Å; A703-I709 HydrophobicContact CB-CG2 4.45Å; A703-I731 HydrophobicContact CB-CB 3.99Å; A703-I731 HydrophobicContact CB-CD1 4.4Å; A703-I731 HydrophobicContact CB-CG2 3.79Å; A703-A734 HydrophobicContact CB-CB 3.69Å |
| 704 | S | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 167.9 | -168.3 | 168.1 | 0 | 0 | 0 | 0 | 113.2 | H679 N681 E682 D706 M708 I731 | H679-S704 VanDerWaalsContact ND1-CB 3.33Å; H679-S704 WeakPolarHBondContact ND1-CB 3.43Å; N681-S704 VanDerWaalsContact C-OG 3.25Å; N681-S704 PolarHBondContact O-OG 3.15Å; E682-S704 PolarHBondContact O-OG 2.89Å; E682-S704 VanDerWaalsContact O-OG 3.06Å; S704-D706 WeakPolarHBondContact CB-OD1 3.41Å; S704-D706 PolarHBondContact O-N 3.46Å; S704-D706 PolarHBondContact OG-N 3.09Å; S704-D706 VanDerWaalsContact OG-N 3.15Å; S704-D706 PolarHBondContact OG-OD1 2.98Å; S704-M708 PolarHBondContact N-O 2.92Å; S704-I731 PolarHBondContact O-N 3.48Å |
| 705 | R | 96.7 | Very high | 94 | Very high | 74 Ų | 74 | 33.7 Ų | 33.7 | 28% | 0.279 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18 | 167.3 | -173.4 | 165.8 | -175.8 | 167.6 | -0.3 | 113.6 | N681 E682 L684 R707 A730 | N681-R705 HydrophobicContact CB-CB 4.19Å; E682-R705 HydrophobicContact CG-CB 3.85Å; E682-R705 HydrophobicContact CG-CG 4.49Å; E682-R705 PolarHBondContact O-N 2.97Å; E682-R705 VanDerWaalsContact O-N 3.09Å; E682-R705 WeakPolarHBondContact OE1-CD 3.5Å; E682-R705 IonicContact OE1-CZ 2.83Å; E682-R705 IonicContact OE1-NE 2.75Å; E682-R705 IonicContact OE1-NH1 2.74Å; E682-R705 PolarHBondContact OE1-NH1 3.38Å; L684-R705 HydrophobicContact CD1-CB 4.05Å; L684-R705 HydrophobicContact CG-CB 4.48Å; R705-R707 PolarHBondContact O-N 2.85Å; R705-A730 HydrophobicContact CB-CB 4.37Å; R705-A730 HydrophobicContact CG-CB 4.02Å |
| 706 | D | 96.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.7 | 177.5 | 66.3 | 0.3 | 0 | 0 | 0 | 114.5 | H679 D680 N681 S704 M708 | H679-D706 VanDerWaalsContact CB-OD2 3.3Å; H679-D706 WeakPolarHBondContact CB-OD2 3.25Å; H679-D706 IonicContact CE1-OD2 3.58Å; H679-D706 IonicContact CG-OD2 3.54Å; H679-D706 IonicContact ND1-OD1 2.73Å; H679-D706 PolarHBondContact ND1-OD1 3Å; H679-D706 IonicContact ND1-OD2 3.74Å; H679-D706 PolarHBondContact ND1-OD2 2.85Å; D680-D706 PolarHBondContact N-OD2 2.84Å; N681-D706 HydrophobicContact CB-CB 3.9Å; S704-D706 WeakPolarHBondContact CB-OD1 3.41Å; S704-D706 PolarHBondContact O-N 3.46Å; S704-D706 PolarHBondContact OG-N 3.09Å; S704-D706 VanDerWaalsContact OG-N 3.15Å; S704-D706 PolarHBondContact OG-OD1 2.98Å; D706-M708 WeakPolarHBondContact OD1-CB 3.18Å; D706-M708 PolarHBondContact OD1-N 3.34Å |
| 707 | R | 97 | Very high | 95 | Very high | 135 Ų | 135 | 36 Ų | 36 | 51% | 0.509 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 93.9 | 8.8 | -173.8 | -61.6 | 157.7 | -71.2 | -167.1 | -0.9 | 115.8 | R705 H727 S728 G729 | R705-R707 PolarHBondContact O-N 2.85Å; R707-H727 WeakPolarHBondContact CB-O 3.2Å; R707-S728 WeakPolarHBondContact CD-O 3.4Å; R707-G729 WeakPolarHBondContact CG-O 3.06Å |
| 708 | M | 97.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 34 Ų | 34 | 26% | 0.261 | 15% | 0.154 | S | C | . | . | trans | -105.4 | 147 | -176.3 | -48.5 | -60.2 | -72.8 | 0 | 0 | 111.5 | H679 A703 S704 D706 T723 I724 | H679-M708 PolarHBondContact CE1-O 3.41Å; A703-M708 WeakPolarHBondContact CA-O 3.31Å; S704-M708 PolarHBondContact N-O 2.92Å; D706-M708 WeakPolarHBondContact OD1-CB 3.18Å; D706-M708 PolarHBondContact OD1-N 3.34Å; M708-T723 HydrophobicContact CE-CG2 3.4Å; M708-I724 WeakPolarHBondContact CA-O 3.46Å | ||
| 709 | I | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.6 | 161.9 | -48.3 | -179.8 | 0 | 0 | 0 | 107.8 | C701 S702 A703 I711 T723 I724 I731 A734 | C701-I709 WeakPolarHBondContact SG-CG2 3.37Å; S702-I709 CarbonylContact O-C 3.56Å; S702-I709 VanDerWaalsContact O-CA 3.29Å; S702-I709 WeakPolarHBondContact O-CA 3.35Å; S702-I709 VanDerWaalsContact O-CG2 3.29Å; S702-I709 WeakPolarHBondContact O-CG2 3.44Å; A703-I709 HydrophobicContact CB-CG1 4.03Å; A703-I709 HydrophobicContact CB-CG2 4.45Å; I709-I711 HydrophobicContact CG2-CD1 3.98Å; I709-T723 WeakPolarHBondContact O-CA 3.31Å; I709-I724 HydrophobicContact CB-CB 4.22Å; I709-I724 PolarHBondContact N-O 2.93Å; I709-I724 PolarHBondContact O-N 2.58Å; I709-I731 HydrophobicContact CD1-CD1 4.05Å; I709-I731 HydrophobicContact CG1-CD1 3.4Å; I709-I731 VanDerWaalsContact CG1-CD1 3.4Å; I709-A734 HydrophobicContact CD1-CB 4.21Å |
| 710 | H | 97.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.2 | 173.5 | -66.4 | -11.7 | 0 | 0 | 0 | 110.4 | A678 H679 C701 S702 F712 R720 T723 | A678-H710 PolarHBondContact O-CD2 3.1Å; A678-H710 PolarHBondContact O-NE2 2.95Å; A678-H710 VanDerWaalsContact O-NE2 3.11Å; H679-H710 AromaticContact CE1-CD2 3.65Å; H679-H710 AromaticContact CE1-CG 3.87Å; H679-H710 AromaticContact CE1-NE2 3.99Å; H679-H710 AromaticContact ND1-CD2 3.98Å; H679-H710 AromaticContact ND1-NE2 3.99Å; H679-H710 AromaticContact NE2-CD2 3.94Å; C701-H710 WeakPolarHBondContact CA-O 3.38Å; S702-H710 PolarHBondContact N-O 3.4Å; S702-H710 PolarHBondContact O-N 3.1Å; H710-F712 HydrophobicContact CB-CD2 4.46Å; H710-F712 HydrophobicContact CB-CE2 3.67Å; H710-F712 HydrophobicContact CB-CZ 3.81Å; H710-R720 PolarHBondContact CE1-NH1 3.2Å; H710-R720 PolarHBondContact NE2-NH1 3.31Å; H710-T723 VanDerWaalsContact CE1-CG2 3.42Å; H710-T723 WeakPolarHBondContact CE1-CG2 3.4Å; H710-T723 PolarHBondContact CE1-OG1 2.76Å; H710-T723 PolarHBondContact ND1-OG1 3.35Å |
| 711 | I | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.5 | 177.7 | -48.1 | -55.6 | 0 | 0 | 0 | 107.6 | L699 C701 I709 R720 V721 Q722 I724 I736 L746 F771 | L699-I711 HydrophobicContact CB-CG2 4.46Å; L699-I711 HydrophobicContact CD1-CG2 4.32Å; L699-I711 HydrophobicContact CD2-CG2 4.12Å; C701-I711 HydrophobicContact CB-CD1 4.07Å; I709-I711 HydrophobicContact CG2-CD1 3.98Å; I711-R720 CarbonylContact O-C 3.58Å; I711-V721 PolarHBondContact O-N 3.16Å; I711-Q722 HydrophobicContact CB-CB 4.19Å; I711-Q722 HydrophobicContact CG1-CB 4.11Å; I711-Q722 PolarHBondContact N-O 2.76Å; I711-Q722 PolarHBondContact O-N 3.06Å; I711-I724 HydrophobicContact CG1-CD1 4.41Å; I711-I736 HydrophobicContact CD1-CD1 4.3Å; I711-I736 HydrophobicContact CG2-CD1 4.47Å; I711-L746 HydrophobicContact CD1-CD2 4.19Å; I711-F771 HydrophobicContact CG1-CD2 4.28Å; I711-F771 HydrophobicContact CG1-CE2 4.43Å; I711-F771 HydrophobicContact CG2-CE2 4.45Å |
| 712 | F | 96.5 | Very high | 95 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149 | 178.8 | -56.3 | -86.7 | 0 | 0 | 0 | 111 | L662 I676 A678 L699 L700 S702 H710 P714 Y718 S719 R720 | L662-F712 HydrophobicContact CD2-CD2 3.9Å; L662-F712 HydrophobicContact CD2-CE2 3.64Å; L662-F712 HydrophobicContact CD2-CZ 4.13Å; I676-F712 HydrophobicContact CG2-CE1 4.2Å; I676-F712 HydrophobicContact CG2-CZ 4.46Å; A678-F712 HydrophobicContact CB-CZ 3.99Å; L699-F712 WeakPolarHBondContact CA-O 3.5Å; L700-F712 HydrophobicContact CB-CB 4.42Å; L700-F712 PolarHBondContact N-O 3.41Å; L700-F712 PolarHBondContact O-N 2.71Å; S702-F712 WeakPolarHBondContact OG-CE2 3.44Å; H710-F712 HydrophobicContact CB-CD2 4.46Å; H710-F712 HydrophobicContact CB-CE2 3.67Å; H710-F712 HydrophobicContact CB-CZ 3.81Å; F712-P714 WeakPolarHBondContact O-CD 3.28Å; F712-Y718 VanDerWaalsContact CD1-O 3.23Å; F712-Y718 WeakPolarHBondContact CD1-O 3.43Å; F712-S719 VanDerWaalsContact CA-O 3.28Å; F712-S719 WeakPolarHBondContact CA-O 3.2Å; F712-R720 HydrophobicContact CD1-CB 3.81Å; F712-R720 HydrophobicContact CD1-CG 4.41Å; F712-R720 HydrophobicContact CE1-CB 3.75Å; F712-R720 HydrophobicContact CE1-CG 4.18Å |
| 713 | D | 93.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 106 | 175.3 | -179.5 | -18.9 | 0 | 0 | 0 | 110.2 | N715 K716 Y718 S719 V721 | D713-N715 PolarHBondContact O-N 3.35Å; D713-N715 WeakPolarHBondContact OD1-CA 3.33Å; D713-N715 VanDerWaalsContact OD1-CB 3.25Å; D713-N715 WeakPolarHBondContact OD1-CB 3.21Å; D713-N715 PolarHBondContact OD1-N 2.61Å; D713-N715 PolarHBondContact OD1-ND2 3.34Å; D713-K716 HydrophobicContact CB-CB 4.16Å; D713-K716 HydrophobicContact CB-CG 4.45Å; D713-K716 CarbonylContact O-C 3.55Å; D713-K716 PolarHBondContact O-N 3.24Å; D713-K716 VanDerWaalsContact O-N 3.1Å; D713-K716 PolarHBondContact OD1-N 2.74Å; D713-K716 WeakPolarHBondContact OD2-CG 3.44Å; D713-K716 IonicContact OD2-NZ 2.7Å; D713-K716 PolarHBondContact OD2-NZ 2.75Å; D713-Y718 VanDerWaalsContact O-CA 3.3Å; D713-Y718 WeakPolarHBondContact O-CA 3.27Å; D713-Y718 PolarHBondContact O-N 3.44Å; D713-S719 PolarHBondContact N-O 2.8Å; D713-V721 HydrophobicContact CB-CG2 3.62Å |
| 714 | P | 92.4 | Very high | 94.8 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 10% | 0.104 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -66.8 | -17.7 | 179.5 | -23.8 | 37.5 | 0 | 0 | 0 | 114.6 | F688 L698 L700 F712 Y718 | F688-P714 HydrophobicContact CD1-CG 4.39Å; F688-P714 HydrophobicContact CE1-CG 3.96Å; L698-P714 HydrophobicContact CD2-CB 3.89Å; L698-P714 HydrophobicContact CD2-CG 4.15Å; L698-P714 HydrophobicContact CG-CB 4.28Å; L698-P714 HydrophobicContact CG-CG 4.02Å; L698-P714 VanDerWaalsContact O-CD 3.28Å; L698-P714 WeakPolarHBondContact O-CD 3.46Å; L700-P714 HydrophobicContact CB-CG 4.38Å; F712-P714 WeakPolarHBondContact O-CD 3.28Å; P714-Y718 HydrophobicContact CB-CD1 4.23Å; P714-Y718 HydrophobicContact CB-CD2 4.43Å; P714-Y718 HydrophobicContact CB-CE1 3.78Å; P714-Y718 HydrophobicContact CB-CE2 3.98Å; P714-Y718 HydrophobicContact CG-CD1 4.05Å; P714-Y718 HydrophobicContact CG-CE1 3.65Å |
| 715 | N | 89.2 | Confident | 94.6 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -78.3 | -26.7 | 173 | -53.6 | -61.8 | 0 | 0 | 0 | 111.5 | Q696 D713 | Q696-N715 PolarHBondContact O-ND2 2.97Å; D713-N715 PolarHBondContact O-N 3.35Å; D713-N715 WeakPolarHBondContact OD1-CA 3.33Å; D713-N715 VanDerWaalsContact OD1-CB 3.25Å; D713-N715 WeakPolarHBondContact OD1-CB 3.21Å; D713-N715 PolarHBondContact OD1-N 2.61Å; D713-N715 PolarHBondContact OD1-ND2 3.34Å |
| 716 | K | 90.6 | Very high | 94.4 | Very high | 131 Ų | 131 | 54 Ų | 54 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -101.1 | 50.1 | 172.9 | -59.3 | -173 | -167.3 | 88.5 | 0 | 111.1 | D713 Y718 S719 | D713-K716 HydrophobicContact CB-CB 4.16Å; D713-K716 HydrophobicContact CB-CG 4.45Å; D713-K716 CarbonylContact O-C 3.55Å; D713-K716 PolarHBondContact O-N 3.24Å; D713-K716 VanDerWaalsContact O-N 3.1Å; D713-K716 PolarHBondContact OD1-N 2.74Å; D713-K716 WeakPolarHBondContact OD2-CG 3.44Å; D713-K716 IonicContact OD2-NZ 2.7Å; D713-K716 PolarHBondContact OD2-NZ 2.75Å; K716-Y718 VanDerWaalsContact C-N 3.25Å; K716-Y718 PolarHBondContact O-N 2.89Å; K716-Y718 VanDerWaalsContact O-N 3.13Å; K716-S719 WeakPolarHBondContact CB-OG 3.33Å; K716-S719 VanDerWaalsContact O-CB 3.23Å; K716-S719 WeakPolarHBondContact O-CB 3.45Å; K716-S719 PolarHBondContact O-N 2.86Å; K716-S719 PolarHBondContact O-OG 3.28Å |
| 717 | E | 91.5 | Very high | 94.3 | Very high | 144 Ų | 144 | 53.3 Ų | 53.3 | 67% | 0.673 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 34.2 | 174.9 | -57.4 | -169.2 | 162.9 | 0 | 0 | 115.2 | Y674 S719 | Y674-E717 HydrophobicContact CE1-CB 4.03Å; E717-S719 PolarHBondContact O-N 2.95Å |
| 718 | Y | 93.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 32.6 | -173.3 | -63.3 | -96.6 | 0 | 0 | 0 | 113.5 | H652 V664 Y674 F688 L700 F712 D713 P714 K716 | H652-Y718 WeakPolarHBondContact CB-OH 3.46Å; H652-Y718 VanDerWaalsContact CG-OH 3.28Å; H652-Y718 PolarHBondContact ND1-OH 3.11Å; V664-Y718 HydrophobicContact CB-CE2 4.48Å; V664-Y718 HydrophobicContact CG1-CE1 4.3Å; V664-Y718 HydrophobicContact CG1-CE2 3.85Å; V664-Y718 WeakPolarHBondContact CG1-OH 3.28Å; V664-Y718 HydrophobicContact CG2-CD1 4.07Å; V664-Y718 HydrophobicContact CG2-CD2 4.48Å; V664-Y718 HydrophobicContact CG2-CE1 3.83Å; V664-Y718 HydrophobicContact CG2-CE2 4.28Å; V664-Y718 HydrophobicContact CG2-CG 4.39Å; Y674-Y718 AromaticContact CD2-CD2 3.5Å; Y674-Y718 HydrophobicContact CD2-CD2 3.5Å; Y674-Y718 VanDerWaalsContact CD2-CD2 3.5Å; Y674-Y718 AromaticContact CD2-CE2 3.74Å; Y674-Y718 HydrophobicContact CD2-CE2 3.74Å; Y674-Y718 HydrophobicContact CD2-CG 4.49Å; Y674-Y718 AromaticContact CE2-CD2 3.54Å; Y674-Y718 HydrophobicContact CE2-CD2 3.54Å; Y674-Y718 AromaticContact CE2-CE2 3.71Å; Y674-Y718 HydrophobicContact CE2-CE2 3.71Å; Y674-Y718 HydrophobicContact CG-CD2 4.08Å; F688-Y718 AromaticContact CE1-CE1 3.91Å; F688-Y718 HydrophobicContact CE1-CE1 3.91Å; F688-Y718 HydrophobicContact CZ-CE1 4.09Å; L700-Y718 HydrophobicContact CD2-CD1 4.03Å; L700-Y718 HydrophobicContact CD2-CE1 3.81Å; F712-Y718 VanDerWaalsContact CD1-O 3.23Å; F712-Y718 WeakPolarHBondContact CD1-O 3.43Å; D713-Y718 VanDerWaalsContact O-CA 3.3Å; D713-Y718 WeakPolarHBondContact O-CA 3.27Å; D713-Y718 PolarHBondContact O-N 3.44Å; P714-Y718 HydrophobicContact CB-CD1 4.23Å; P714-Y718 HydrophobicContact CB-CD2 4.43Å; P714-Y718 HydrophobicContact CB-CE1 3.78Å; P714-Y718 HydrophobicContact CB-CE2 3.98Å; P714-Y718 HydrophobicContact CG-CD1 4.05Å; P714-Y718 HydrophobicContact CG-CE1 3.65Å; K716-Y718 VanDerWaalsContact C-N 3.25Å; K716-Y718 PolarHBondContact O-N 2.89Å; K716-Y718 VanDerWaalsContact O-N 3.13Å |
| 719 | S | 92.9 | Very high | 94.1 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 143.9 | 166.7 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | F712 D713 K716 E717 V721 | F712-S719 VanDerWaalsContact CA-O 3.28Å; F712-S719 WeakPolarHBondContact CA-O 3.2Å; D713-S719 PolarHBondContact N-O 2.8Å; K716-S719 WeakPolarHBondContact CB-OG 3.33Å; K716-S719 VanDerWaalsContact O-CB 3.23Å; K716-S719 WeakPolarHBondContact O-CB 3.45Å; K716-S719 PolarHBondContact O-N 2.86Å; K716-S719 PolarHBondContact O-OG 3.28Å; E717-S719 PolarHBondContact O-N 2.95Å; S719-V721 PolarHBondContact O-N 3.12Å |
| 720 | R | 93.3 | Very high | 94 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 111.6 | -177.6 | -178.8 | 155.7 | 52.9 | 146 | -22 | 110.2 | H710 I711 F712 T723 | H710-R720 PolarHBondContact CE1-NH1 3.2Å; H710-R720 PolarHBondContact NE2-NH1 3.31Å; I711-R720 CarbonylContact O-C 3.58Å; F712-R720 HydrophobicContact CD1-CB 3.81Å; F712-R720 HydrophobicContact CD1-CG 4.41Å; F712-R720 HydrophobicContact CE1-CB 3.75Å; F712-R720 HydrophobicContact CE1-CG 4.18Å; R720-T723 PolarHBondContact NH1-OG1 3.22Å |
| 721 | V | 92.4 | Very high | 94 | Very high | 77 Ų | 77 | 50 Ų | 50 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -49.3 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | I711 D713 S719 | I711-V721 PolarHBondContact O-N 3.16Å; D713-V721 HydrophobicContact CB-CG2 3.62Å; S719-V721 PolarHBondContact O-N 3.12Å |
| 722 | Q | 94.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.4 | -175.4 | -160.1 | -178.3 | 0.1 | 0 | 0 | 111.1 | I711 I724 F771 | I711-Q722 HydrophobicContact CB-CB 4.19Å; I711-Q722 HydrophobicContact CG1-CB 4.11Å; I711-Q722 PolarHBondContact N-O 2.76Å; I711-Q722 PolarHBondContact O-N 3.06Å; Q722-I724 HydrophobicContact CG-CD1 4.47Å; Q722-I724 HydrophobicContact CG-CG1 4.01Å; Q722-F771 PolarHBondContact NE2-O 3.07Å |
| 723 | T | 95.9 | Very high | 93.9 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.3 | 168.3 | -69.4 | 0 | 0 | 0 | 0 | 108.2 | M708 I709 H710 R720 | M708-T723 HydrophobicContact CE-CG2 3.4Å; I709-T723 WeakPolarHBondContact O-CA 3.31Å; H710-T723 VanDerWaalsContact CE1-CG2 3.42Å; H710-T723 WeakPolarHBondContact CE1-CG2 3.4Å; H710-T723 PolarHBondContact CE1-OG1 2.76Å; H710-T723 PolarHBondContact ND1-OG1 3.35Å; R720-T723 PolarHBondContact NH1-OG1 3.22Å |
| 724 | I | 96.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.5 | -174.8 | -56.9 | 168.5 | 0 | 0 | 0 | 107.8 | M708 I709 I711 Q722 D726 L746 F771 | M708-I724 WeakPolarHBondContact CA-O 3.46Å; I709-I724 HydrophobicContact CB-CB 4.22Å; I709-I724 PolarHBondContact N-O 2.93Å; I709-I724 PolarHBondContact O-N 2.58Å; I711-I724 HydrophobicContact CG1-CD1 4.41Å; Q722-I724 HydrophobicContact CG-CD1 4.47Å; Q722-I724 HydrophobicContact CG-CG1 4.01Å; I724-D726 WeakPolarHBondContact CG2-OD2 3.15Å; I724-L746 HydrophobicContact CD1-CD2 3.47Å; I724-L746 VanDerWaalsContact CD1-CD2 3.47Å; I724-F771 HydrophobicContact CD1-CB 4.04Å |
| 725 | S | 94.3 | Very high | 94.3 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 54% | 0.538 | 28% | 0.28 | S | S | . | . | trans | -142.7 | 32 | -164.4 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 726 | D | 92.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -76.9 | -29.9 | -173.4 | -46.4 | -52.8 | 0 | 0 | 0 | 113.4 | I724 L756 R758 | I724-D726 WeakPolarHBondContact CG2-OD2 3.15Å; D726-L756 HydrophobicContact CB-CD1 3.55Å; D726-R758 IonicContact OD1-CZ 2.93Å; D726-R758 IonicContact OD1-NH2 2.89Å; D726-R758 PolarHBondContact OD1-NH2 2.95Å; D726-R758 IonicContact OD2-CZ 2.67Å; D726-R758 IonicContact OD2-NE 3.96Å; D726-R758 PolarHBondContact OD2-NE 2.85Å; D726-R758 IonicContact OD2-NH2 3.27Å; D726-R758 PolarHBondContact OD2-NH2 2.7Å | ||
| 727 | H | 95.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | trans | -71.3 | 132.9 | -174.2 | -80 | -80.3 | 0 | 0 | 0 | 110.6 | R707 G729 I731 S748 D752 S754 | R707-H727 WeakPolarHBondContact CB-O 3.2Å; H727-G729 VanDerWaalsContact C-N 3.33Å; H727-I731 HydrophobicContact CB-CD1 3.94Å; H727-I731 HydrophobicContact CB-CG1 3.77Å; H727-I731 VanDerWaalsContact CD2-CD1 3.46Å; H727-I731 WeakPolarHBondContact CD2-CD1 3.26Å; H727-S748 WeakPolarHBondContact NE2-CB 3.34Å; H727-S748 PolarHBondContact NE2-OG 3.33Å; H727-D752 WeakPolarHBondContact CA-OD2 3.48Å; H727-D752 IonicContact CE1-OD1 3.24Å; H727-D752 IonicContact CG-OD2 3.93Å; H727-D752 IonicContact ND1-OD1 3.92Å; H727-D752 PolarHBondContact ND1-OD1 2.92Å; H727-D752 IonicContact ND1-OD2 3.86Å; H727-D752 PolarHBondContact ND1-OD2 3.18Å; H727-S754 PolarHBondContact CE1-OG 2.87Å; H727-S754 PolarHBondContact ND1-OG 3.16Å | ||
| 728 | S | 94.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 35.2 Ų | 35.2 | 66% | 0.657 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -86.6 | -4.6 | 176.6 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | R707 D752 | R707-S728 WeakPolarHBondContact CD-O 3.4Å; S728-D752 PolarHBondContact N-OD2 3.43Å; S728-D752 WeakPolarHBondContact OG-CB 3.44Å |
| 729 | G | 94.2 | Very high | 94.2 | Very high | 16 Ų | 16 | 35 Ų | 35 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -146.3 | 176 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R707 H727 I731 | R707-G729 WeakPolarHBondContact CG-O 3.06Å; H727-G729 VanDerWaalsContact C-N 3.33Å; G729-I731 PolarHBondContact O-N 3.05Å |
| 730 | A | 96.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | trans | -53.5 | 135.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L684 R705 F732 G750 M751 | L684-A730 HydrophobicContact CD1-CB 4.31Å; R705-A730 HydrophobicContact CB-CB 4.37Å; R705-A730 HydrophobicContact CG-CB 4.02Å; A730-F732 HydrophobicContact CB-CE1 4.47Å; A730-F732 HydrophobicContact CB-CZ 4.45Å; A730-G750 CarbonylContact O-C 3.6Å; A730-G750 VanDerWaalsContact O-CA 3.27Å; A730-G750 WeakPolarHBondContact O-CA 3.36Å; A730-M751 HydrophobicContact CB-CB 4.37Å; A730-M751 PolarHBondContact O-N 3.27Å | ||
| 731 | I | 97.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.9 | -176.7 | -48.4 | 178.8 | 0 | 0 | 0 | 108.9 | L684 A703 S704 I709 H727 G729 A734 | L684-I731 WeakPolarHBondContact CB-O 3.36Å; L684-I731 WeakPolarHBondContact CD1-O 3.36Å; A703-I731 HydrophobicContact CB-CB 3.99Å; A703-I731 HydrophobicContact CB-CD1 4.4Å; A703-I731 HydrophobicContact CB-CG2 3.79Å; S704-I731 PolarHBondContact O-N 3.48Å; I709-I731 HydrophobicContact CD1-CD1 4.05Å; I709-I731 HydrophobicContact CG1-CD1 3.4Å; I709-I731 VanDerWaalsContact CG1-CD1 3.4Å; H727-I731 HydrophobicContact CB-CD1 3.94Å; H727-I731 HydrophobicContact CB-CG1 3.77Å; H727-I731 VanDerWaalsContact CD2-CD1 3.46Å; H727-I731 WeakPolarHBondContact CD2-CD1 3.26Å; G729-I731 PolarHBondContact O-N 3.05Å; I731-A734 HydrophobicContact CG2-CB 4.47Å |
| 732 | F | 95.5 | Very high | 92.1 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -27.5 | -171.8 | -65.5 | -61.8 | 0 | 0 | 0 | 114.1 | L684 A730 C749 M751 Q783 L784 Y1456 | L684-F732 HydrophobicContact CD1-CD1 3.95Å; L684-F732 HydrophobicContact CD1-CE1 4.19Å; A730-F732 HydrophobicContact CB-CE1 4.47Å; A730-F732 HydrophobicContact CB-CZ 4.45Å; F732-C749 PolarHBondContact N-O 2.99Å; F732-M751 HydrophobicContact CE2-CB 3.59Å; F732-M751 HydrophobicContact CE2-CG 4.23Å; F732-M751 HydrophobicContact CE2-SD 3.79Å; F732-M751 HydrophobicContact CZ-CB 3.99Å; F732-M751 HydrophobicContact CZ-CG 4.38Å; F732-M751 HydrophobicContact CZ-SD 3.95Å; F732-Q783 WeakPolarHBondContact CD2-O 3.47Å; F732-L784 WeakPolarHBondContact CB-O 3.46Å; F732-L784 HydrophobicContact CD2-CD2 3.64Å; F732-L784 HydrophobicContact CE2-CD2 3.4Å; F732-L784 HydrophobicContact CG-CD2 4.49Å; F732-L784 HydrophobicContact CZ-CD2 4.12Å; F732-Y1456 WeakPolarHBondContact CE1-OH 3.43Å; F732-Y1456 WeakPolarHBondContact CZ-OH 3.33Å |
| 733 | S | 96.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 132.9 | 175.4 | -135.7 | 0 | 0 | 0 | 0 | 109.1 | K735 S748 C749 D785 | S733-K735 PolarHBondContact OG-NZ 2.92Å; S733-S748 WeakPolarHBondContact O-CA 3.37Å; S733-C749 PolarHBondContact N-O 3.42Å; S733-C749 PolarHBondContact O-N 2.89Å; S733-D785 PolarHBondContact OG-OD1 2.97Å |
| 734 | A | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S685 A703 I709 I731 I747 | S685-A734 PolarHBondContact OG-N 2.72Å; S685-A734 PolarHBondContact OG-O 2.71Å; A703-A734 HydrophobicContact CB-CB 3.69Å; I709-A734 HydrophobicContact CD1-CB 4.21Å; I731-A734 HydrophobicContact CG2-CB 4.47Å; A734-I747 CarbonylContact C-O 3.41Å; A734-I747 WeakPolarHBondContact CA-O 3.17Å |
| 735 | K | 95.4 | Very high | 91.5 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 137.3 | -174.9 | -52.7 | -169 | -161.7 | -50.9 | 0 | 112.2 | N687 S733 L746 I747 A786 I788 | N687-K735 HydrophobicContact CB-CG 4.39Å; N687-K735 VanDerWaalsContact OD1-CA 3.23Å; N687-K735 WeakPolarHBondContact OD1-CA 3.44Å; S733-K735 PolarHBondContact OG-NZ 2.92Å; K735-L746 WeakPolarHBondContact O-CA 3.27Å; K735-I747 PolarHBondContact N-O 3.4Å; K735-I747 PolarHBondContact O-N 3.01Å; K735-A786 WeakPolarHBondContact CE-O 3.24Å; K735-I788 HydrophobicContact CB-CD1 4.06Å; K735-I788 HydrophobicContact CD-CD1 4.26Å |
| 736 | I | 94.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 138.3 | 171.3 | -52.5 | 168 | 0 | 0 | 0 | 108.6 | N687 F689 L699 C701 I711 I744 R745 L746 F771 | N687-I736 PolarHBondContact OD1-N 3.01Å; F689-I736 HydrophobicContact CB-CB 3.68Å; F689-I736 HydrophobicContact CB-CD1 4.44Å; F689-I736 HydrophobicContact CB-CG2 3.99Å; F689-I736 HydrophobicContact CD1-CB 4.22Å; F689-I736 HydrophobicContact CD1-CG2 3.54Å; F689-I736 HydrophobicContact CD2-CB 4.32Å; F689-I736 HydrophobicContact CD2-CG2 3.97Å; F689-I736 WeakPolarHBondContact CD2-O 3.35Å; F689-I736 HydrophobicContact CE1-CG2 3.97Å; F689-I736 HydrophobicContact CE2-CG2 4.37Å; F689-I736 HydrophobicContact CG-CB 3.81Å; F689-I736 HydrophobicContact CG-CG2 3.53Å; F689-I736 HydrophobicContact CZ-CG2 4.36Å; L699-I736 HydrophobicContact CB-CD1 3.93Å; L699-I736 HydrophobicContact CD1-CD1 4.01Å; C701-I736 HydrophobicContact CB-CD1 4Å; C701-I736 HydrophobicContact CB-CG1 4.13Å; I711-I736 HydrophobicContact CD1-CD1 4.3Å; I711-I736 HydrophobicContact CG2-CD1 4.47Å; I736-I744 HydrophobicContact CG2-CG2 3.68Å; I736-R745 CarbonylContact C-O 3.51Å; I736-R745 WeakPolarHBondContact CA-O 3.42Å; I736-L746 HydrophobicContact CG1-CB 4.4Å; I736-L746 HydrophobicContact CG1-CD1 3.94Å; I736-F771 HydrophobicContact CD1-CE2 4.15Å; I736-F771 HydrophobicContact CD1-CZ 4.12Å; I736-F771 HydrophobicContact CG1-CE2 4.48Å; I736-F771 HydrophobicContact CG1-CZ 4.15Å; I736-F771 HydrophobicContact CG2-CE1 4.34Å; I736-F771 HydrophobicContact CG2-CZ 3.8Å |
| 737 | I | 92.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 24.5 Ų | 24.5 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.4 | 176.2 | 50.1 | 157.6 | 0 | 0 | 0 | 110.9 | I744 R745 I747 I788 V823 | I737-I744 CarbonylContact O-C 3.58Å; I737-I744 WeakPolarHBondContact O-CA 3.37Å; I737-R745 HydrophobicContact CG1-CB 4.48Å; I737-R745 WeakPolarHBondContact CG1-O 3.5Å; I737-R745 PolarHBondContact N-O 3.23Å; I737-R745 PolarHBondContact O-N 3.23Å; I737-I747 HydrophobicContact CD1-CD1 3.88Å; I737-I747 HydrophobicContact CG1-CD1 4.4Å; I737-I788 HydrophobicContact CD1-CD1 4.18Å; I737-I788 HydrophobicContact CD1-CG2 4.3Å; I737-I788 HydrophobicContact CG1-CD1 4.36Å; I737-I788 HydrophobicContact CG2-CD1 3.65Å; I737-I788 HydrophobicContact CG2-CG2 4.25Å; I737-V823 HydrophobicContact CD1-CG1 3.48Å; I737-V823 VanDerWaalsContact CD1-CG1 3.48Å; I737-V823 HydrophobicContact CD1-CG2 4.25Å |
| 738 | E | 89.5 | Confident | 91.9 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 141 | 161.2 | -164.4 | 178 | 129 | 0 | 0 | 108.1 | F689 S691 Y692 S693 G742 E743 I744 R799 R807 | F689-E738 HydrophobicContact CE2-CB 4.05Å; F689-E738 HydrophobicContact CZ-CB 4.16Å; S691-E738 WeakPolarHBondContact CA-OE2 3.35Å; S691-E738 WeakPolarHBondContact CB-OE2 3.31Å; S691-E738 PolarHBondContact OG-OE2 3.4Å; Y692-E738 PolarHBondContact N-OE2 2.77Å; S693-E738 WeakPolarHBondContact CB-OE1 3.22Å; S693-E738 PolarHBondContact N-OE1 2.9Å; S693-E738 PolarHBondContact N-OE2 2.86Å; S693-E738 VanDerWaalsContact N-OE2 3.11Å; S693-E738 PolarHBondContact OG-OE1 3.11Å; E738-G742 WeakPolarHBondContact CG-O 3.43Å; E738-E743 CarbonylContact C-O 2.94Å; E738-E743 WeakPolarHBondContact CA-O 3.19Å; E738-I744 HydrophobicContact CB-CG1 4.39Å; E738-I744 HydrophobicContact CG-CG1 4.16Å; E738-R799 IonicContact OE1-NH1 2.89Å; E738-R799 IonicContact OE1-NH2 2.71Å; E738-R807 PolarHBondContact O-NE 2.98Å; E738-R807 PolarHBondContact O-NH1 2.96Å; E738-R807 PolarHBondContact O-NH2 2.93Å |
| 739 | T | 86 | Confident | 91.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -81.6 | 176.6 | 170.7 | 72.2 | 0 | 0 | 0 | 0 | 111 | D741 G742 E743 R745 V823 I824 | T739-D741 PolarHBondContact O-N 2.84Å; T739-D741 PolarHBondContact OG1-N 3.25Å; T739-D741 PolarHBondContact OG1-OD2 3.42Å; T739-G742 PolarHBondContact O-N 3.47Å; T739-E743 HydrophobicContact CG2-CB 4.44Å; T739-E743 PolarHBondContact N-O 2.91Å; T739-E743 PolarHBondContact OG1-N 3.31Å; T739-R745 HydrophobicContact CG2-CG 4.21Å; T739-V823 HydrophobicContact CG2-CG1 3.98Å; T739-I824 HydrophobicContact CG2-CG1 4.14Å | ||
| 740 | D | 76.4 | Confident | 91.9 | Very high | 39 Ų | 39 | 19 Ų | 19 | 21% | 0.209 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -30.9 | 177.3 | -51.3 | -49.5 | 0 | 0 | 0 | 110.7 | G742 M791 R799 R807 | D740-G742 PolarHBondContact O-N 3.43Å; D740-M791 HydrophobicContact CB-CE 4.47Å; D740-M791 WeakPolarHBondContact OD1-CE 3.21Å; D740-R799 WeakPolarHBondContact O-CD 3.47Å; D740-R799 PolarHBondContact O-NH1 2.93Å; D740-R807 WeakPolarHBondContact OD1-CD 3.44Å; D740-R807 WeakPolarHBondContact OD1-CG 3.43Å; D740-R807 IonicContact OD1-NE 3.01Å; D740-R807 PolarHBondContact OD1-NE 2.93Å; D740-R807 WeakPolarHBondContact OD2-CD 3.3Å; D740-R807 WeakPolarHBondContact OD2-CG 3.31Å; D740-R807 PolarHBondContact OD2-N 2.62Å |
| 741 | D | 77.9 | Confident | 91.8 | Very high | 104 Ų | 104 | 21 Ų | 21 | 56% | 0.556 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.7 | 175.4 | -30.5 | -77.2 | 0 | 0 | 0 | 113.3 | T739 I824 | T739-D741 PolarHBondContact O-N 2.84Å; T739-D741 PolarHBondContact OG1-N 3.25Å; T739-D741 PolarHBondContact OG1-OD2 3.42Å; D741-I824 WeakPolarHBondContact OD2-CD1 3.09Å; D741-I824 WeakPolarHBondContact OD2-CG1 3.33Å |
| 742 | G | 81.1 | Confident | 91.7 | Very high | 21 Ų | 21 | 22.4 Ų | 22.4 | 22% | 0.216 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 100.7 | -10.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | E738 T739 D740 | E738-G742 WeakPolarHBondContact CG-O 3.43Å; T739-G742 PolarHBondContact O-N 3.47Å; D740-G742 PolarHBondContact O-N 3.43Å |
| 743 | E | 88.1 | Confident | 91.6 | Very high | 91 Ų | 91 | 25.8 Ų | 25.8 | 43% | 0.425 | 13% | 0.131 | S | C | . | . | trans | -68.1 | 132.6 | -178.7 | -69.7 | -57.8 | 154.1 | 0 | 0 | 112.4 | E738 T739 I759 | E738-E743 CarbonylContact C-O 2.94Å; E738-E743 WeakPolarHBondContact CA-O 3.19Å; T739-E743 HydrophobicContact CG2-CB 4.44Å; T739-E743 PolarHBondContact N-O 2.91Å; T739-E743 PolarHBondContact OG1-N 3.31Å; E743-I759 HydrophobicContact CB-CD1 4.22Å; E743-I759 HydrophobicContact CG-CD1 4.21Å | ||
| 744 | I | 92.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.2 | -178.5 | -60.1 | 174.4 | 0 | 0 | 0 | 109.4 | F689 L697 I736 I737 E738 L760 F771 | F689-I744 HydrophobicContact CE1-CD1 4.05Å; F689-I744 HydrophobicContact CE1-CG1 4.48Å; F689-I744 HydrophobicContact CE1-CG2 3.83Å; F689-I744 HydrophobicContact CZ-CD1 3.98Å; F689-I744 HydrophobicContact CZ-CG1 4.05Å; F689-I744 HydrophobicContact CZ-CG2 3.87Å; L697-I744 HydrophobicContact CD2-CD1 3.51Å; I736-I744 HydrophobicContact CG2-CG2 3.68Å; I737-I744 CarbonylContact O-C 3.58Å; I737-I744 WeakPolarHBondContact O-CA 3.37Å; E738-I744 HydrophobicContact CB-CG1 4.39Å; E738-I744 HydrophobicContact CG-CG1 4.16Å; I744-L760 HydrophobicContact CB-CB 3.99Å; I744-L760 HydrophobicContact CB-CD2 4.02Å; I744-L760 HydrophobicContact CD1-CD2 4.15Å; I744-L760 HydrophobicContact CG2-CB 4.28Å; I744-L760 HydrophobicContact CG2-CD2 4.06Å; I744-L760 WeakPolarHBondContact O-CB 3.33Å; I744-L760 PolarHBondContact O-N 3.09Å; I744-F771 HydrophobicContact CG2-CE1 4.13Å; I744-F771 HydrophobicContact CG2-CZ 4.16Å |
| 745 | R | 93.9 | Very high | 91.4 | Very high | 14 Ų | 14 | 25.8 Ų | 25.8 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.5 | -174.3 | -60.6 | -176 | -178.1 | -148.3 | -4.5 | 112.4 | I736 I737 T739 R758 I759 E774 I824 | I736-R745 CarbonylContact C-O 3.51Å; I736-R745 WeakPolarHBondContact CA-O 3.42Å; I737-R745 HydrophobicContact CG1-CB 4.48Å; I737-R745 WeakPolarHBondContact CG1-O 3.5Å; I737-R745 PolarHBondContact N-O 3.23Å; I737-R745 PolarHBondContact O-N 3.23Å; T739-R745 HydrophobicContact CG2-CG 4.21Å; R745-R758 CarbonylContact C-O 3.45Å; R745-R758 WeakPolarHBondContact CA-O 3.33Å; R745-R758 WeakPolarHBondContact CB-O 3.28Å; R745-I759 HydrophobicContact CG-CB 4.37Å; R745-I759 HydrophobicContact CG-CG1 4.25Å; R745-E774 VanDerWaalsContact CZ-CD 3.44Å; R745-E774 IonicContact CZ-OE1 3.62Å; R745-E774 IonicContact CZ-OE2 3.71Å; R745-E774 IonicContact NE-OE2 2.74Å; R745-E774 IonicContact NH1-OE1 3.81Å; R745-E774 PolarHBondContact NH1-OE1 2.96Å; R745-E774 IonicContact NH1-OE2 3.83Å; R745-E774 PolarHBondContact NH1-OE2 3.36Å; R745-E774 IonicContact NH2-OE1 2.7Å; R745-E774 PolarHBondContact NH2-OE1 2.84Å; R745-E774 IonicContact NH2-OE2 2.71Å; R745-I824 PolarHBondContact NH1-O 3.09Å |
| 746 | L | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125 | 168.9 | 167.6 | 65.3 | 0 | 0 | 0 | 108.8 | I711 I724 K735 I736 R758 F771 | I711-L746 HydrophobicContact CD1-CD2 4.19Å; I724-L746 HydrophobicContact CD1-CD2 3.47Å; I724-L746 VanDerWaalsContact CD1-CD2 3.47Å; K735-L746 WeakPolarHBondContact O-CA 3.27Å; I736-L746 HydrophobicContact CG1-CB 4.4Å; I736-L746 HydrophobicContact CG1-CD1 3.94Å; L746-R758 HydrophobicContact CB-CB 4.23Å; L746-R758 PolarHBondContact N-O 3.32Å; L746-R758 PolarHBondContact O-N 3.01Å; L746-F771 HydrophobicContact CB-CD1 3.58Å; L746-F771 HydrophobicContact CB-CD2 4.4Å; L746-F771 HydrophobicContact CB-CE1 3.71Å; L746-F771 HydrophobicContact CB-CG 3.95Å; L746-F771 HydrophobicContact CB-CZ 4.19Å; L746-F771 HydrophobicContact CD2-CB 4.39Å; L746-F771 HydrophobicContact CD2-CD2 4.29Å; L746-F771 HydrophobicContact CD2-CG 4.2Å |
| 747 | I | 96.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.2 | 177.1 | -57.2 | 176.5 | 0 | 0 | 0 | 108.8 | A734 K735 I737 L755 L756 F757 I788 L809 V823 | A734-I747 CarbonylContact C-O 3.41Å; A734-I747 WeakPolarHBondContact CA-O 3.17Å; K735-I747 PolarHBondContact N-O 3.4Å; K735-I747 PolarHBondContact O-N 3.01Å; I737-I747 HydrophobicContact CD1-CD1 3.88Å; I737-I747 HydrophobicContact CG1-CD1 4.4Å; I747-L755 HydrophobicContact CG2-CD1 3.77Å; I747-L756 WeakPolarHBondContact CA-O 3.34Å; I747-F757 HydrophobicContact CD1-CD1 3.81Å; I747-F757 HydrophobicContact CD1-CE1 3.77Å; I747-F757 HydrophobicContact CG1-CD1 3.81Å; I747-F757 HydrophobicContact CG1-CE1 4.2Å; I747-F757 HydrophobicContact CG1-CG 4.47Å; I747-I788 HydrophobicContact CD1-CD1 4.31Å; I747-L809 HydrophobicContact CD1-CD1 4.34Å; I747-L809 HydrophobicContact CD1-CD2 4.38Å; I747-L809 HydrophobicContact CG2-CD1 4.14Å; I747-L809 HydrophobicContact CG2-CD2 3.91Å; I747-V823 HydrophobicContact CD1-CG1 4.47Å |
| 748 | S | 97.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.6 | 179.2 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | H727 S733 L755 L756 | H727-S748 WeakPolarHBondContact NE2-CB 3.34Å; H727-S748 PolarHBondContact NE2-OG 3.33Å; S733-S748 WeakPolarHBondContact O-CA 3.37Å; S748-L755 WeakPolarHBondContact O-CA 3.27Å; S748-L756 PolarHBondContact N-O 3.34Å; S748-L756 PolarHBondContact O-N 2.44Å |
| 749 | C | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145.1 | -179 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | F732 S733 S754 L755 Q783 | F732-C749 PolarHBondContact N-O 2.99Å; S733-C749 PolarHBondContact N-O 3.42Å; S733-C749 PolarHBondContact O-N 2.89Å; C749-S754 WeakPolarHBondContact CA-O 3.4Å; C749-L755 HydrophobicContact CB-CD1 3.82Å; C749-Q783 HydrophobicContact CB-CB 3.77Å |
| 750 | G | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | -178.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | A730 D752 K753 S754 Q783 | A730-G750 CarbonylContact O-C 3.6Å; A730-G750 VanDerWaalsContact O-CA 3.27Å; A730-G750 WeakPolarHBondContact O-CA 3.36Å; G750-D752 WeakPolarHBondContact CA-OD1 3.36Å; G750-D752 PolarHBondContact O-N 3.18Å; G750-K753 PolarHBondContact O-N 3.16Å; G750-S754 PolarHBondContact N-O 2.89Å; G750-Q783 PolarHBondContact O-N 2.95Å |
| 751 | M | 94.5 | Very high | 92.7 | Very high | 57 Ų | 57 | 28.9 Ų | 28.9 | 28% | 0.281 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.3 | 177.3 | -167.4 | 61.4 | -146.3 | 0 | 0 | 112.8 | A730 F732 K753 S782 P1451 | A730-M751 HydrophobicContact CB-CB 4.37Å; A730-M751 PolarHBondContact O-N 3.27Å; F732-M751 HydrophobicContact CE2-CB 3.59Å; F732-M751 HydrophobicContact CE2-CG 4.23Å; F732-M751 HydrophobicContact CE2-SD 3.79Å; F732-M751 HydrophobicContact CZ-CB 3.99Å; F732-M751 HydrophobicContact CZ-CG 4.38Å; F732-M751 HydrophobicContact CZ-SD 3.95Å; M751-K753 PolarHBondContact O-N 3.39Å; M751-S782 VanDerWaalsContact CE-OG 3.26Å; M751-S782 WeakPolarHBondContact CE-OG 3.42Å; M751-S782 PolarHBondContact O-OG 3.02Å; M751-P1451 HydrophobicContact CE-CG 4.22Å |
| 752 | D | 93.7 | Very high | 92.9 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 1.7 | 172.6 | 62.9 | -27.7 | 0 | 0 | 0 | 114.1 | H727 S728 G750 S754 | H727-D752 WeakPolarHBondContact CA-OD2 3.48Å; H727-D752 IonicContact CE1-OD1 3.24Å; H727-D752 IonicContact CG-OD2 3.93Å; H727-D752 IonicContact ND1-OD1 3.92Å; H727-D752 PolarHBondContact ND1-OD1 2.92Å; H727-D752 IonicContact ND1-OD2 3.86Å; H727-D752 PolarHBondContact ND1-OD2 3.18Å; S728-D752 PolarHBondContact N-OD2 3.43Å; S728-D752 WeakPolarHBondContact OG-CB 3.44Å; G750-D752 WeakPolarHBondContact CA-OD1 3.36Å; G750-D752 PolarHBondContact O-N 3.18Å; D752-S754 PolarHBondContact O-N 3.16Å; D752-S754 PolarHBondContact OD1-OG 3.05Å; D752-S754 VanDerWaalsContact OD1-OG 3.11Å; D752-S754 PolarHBondContact OD2-OG 2.76Å |
| 753 | K | 94.3 | Very high | 92.6 | Very high | 91 Ų | 91 | 30 Ų | 30 | 40% | 0.396 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 72.2 | 1.1 | 176.4 | -41.6 | 157.6 | -178.6 | 176.9 | 0 | 114 | G750 M751 G779 H781 Q783 | G750-K753 PolarHBondContact O-N 3.16Å; M751-K753 PolarHBondContact O-N 3.39Å; K753-G779 WeakPolarHBondContact CB-O 3.28Å; K753-G779 WeakPolarHBondContact CD-O 3.11Å; K753-G779 WeakPolarHBondContact O-CA 3.39Å; K753-G779 PolarHBondContact O-N 3.47Å; K753-H781 WeakPolarHBondContact CB-O 3.36Å; K753-Q783 PolarHBondContact O-NE2 2.93Å |
| 754 | S | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 149.3 | 176.8 | 65 | 0 | 0 | 0 | 0 | 111.7 | H727 C749 G750 D752 Q783 | H727-S754 PolarHBondContact CE1-OG 2.87Å; H727-S754 PolarHBondContact ND1-OG 3.16Å; C749-S754 WeakPolarHBondContact CA-O 3.4Å; G750-S754 PolarHBondContact N-O 2.89Å; D752-S754 PolarHBondContact O-N 3.16Å; D752-S754 PolarHBondContact OD1-OG 3.05Å; D752-S754 VanDerWaalsContact OD1-OG 3.11Å; D752-S754 PolarHBondContact OD2-OG 2.76Å; S754-Q783 VanDerWaalsContact C-NE2 3.33Å; S754-Q783 PolarHBondContact O-NE2 2.82Å |
| 755 | L | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 115.5 | 159.7 | 178.9 | 64.8 | 0 | 0 | 0 | 106.7 | I747 S748 C749 F757 L777 L809 V811 Y821 | I747-L755 HydrophobicContact CG2-CD1 3.77Å; S748-L755 WeakPolarHBondContact O-CA 3.27Å; C749-L755 HydrophobicContact CB-CD1 3.82Å; L755-F757 HydrophobicContact CD2-CE2 3.62Å; L755-F757 HydrophobicContact CD2-CZ 3.88Å; L755-F757 HydrophobicContact CG-CD2 4.33Å; L755-F757 HydrophobicContact CG-CE2 3.65Å; L755-F757 HydrophobicContact CG-CZ 4.23Å; L755-L777 HydrophobicContact CB-CB 4.29Å; L755-L777 HydrophobicContact CD2-CD1 4.43Å; L755-L777 PolarHBondContact N-O 2.78Å; L755-L777 PolarHBondContact O-N 3.12Å; L755-L809 HydrophobicContact CD1-CD2 4.17Å; L755-L809 HydrophobicContact CD2-CD2 3.85Å; L755-V811 HydrophobicContact CD2-CG2 4.24Å; L755-Y821 HydrophobicContact CD2-CD2 4.23Å; L755-Y821 HydrophobicContact CD2-CE2 4Å |
| 756 | L | 95.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.9 | -178.3 | -52.7 | -177.9 | 0 | 0 | 0 | 109.1 | D726 I747 S748 L773 H776 | D726-L756 HydrophobicContact CB-CD1 3.55Å; I747-L756 WeakPolarHBondContact CA-O 3.34Å; S748-L756 PolarHBondContact N-O 3.34Å; S748-L756 PolarHBondContact O-N 2.44Å; L756-L773 HydrophobicContact CB-CD1 4.24Å; L756-L773 HydrophobicContact CD2-CD1 4.36Å; L756-H776 HydrophobicContact CD2-CB 3.99Å; L756-H776 WeakPolarHBondContact CD2-CD2 3.21Å |
| 757 | F | 95.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.9 | 166.2 | -60 | -111.3 | 0 | 0 | 0 | 106.7 | I747 L755 E774 H775 L777 L809 A826 | I747-F757 HydrophobicContact CD1-CD1 3.81Å; I747-F757 HydrophobicContact CD1-CE1 3.77Å; I747-F757 HydrophobicContact CG1-CD1 3.81Å; I747-F757 HydrophobicContact CG1-CE1 4.2Å; I747-F757 HydrophobicContact CG1-CG 4.47Å; L755-F757 HydrophobicContact CD2-CE2 3.62Å; L755-F757 HydrophobicContact CD2-CZ 3.88Å; L755-F757 HydrophobicContact CG-CD2 4.33Å; L755-F757 HydrophobicContact CG-CE2 3.65Å; L755-F757 HydrophobicContact CG-CZ 4.23Å; F757-E774 PolarHBondContact O-N 2.92Å; F757-H775 HydrophobicContact CB-CB 4.05Å; F757-H775 HydrophobicContact CD2-CB 4.04Å; F757-H775 HydrophobicContact CG-CB 4.34Å; F757-H775 PolarHBondContact N-O 3.42Å; F757-H775 PolarHBondContact O-N 2.81Å; F757-L777 HydrophobicContact CE2-CD1 4.02Å; F757-L777 HydrophobicContact CE2-CG 4.38Å; F757-L809 HydrophobicContact CE1-CD2 4Å; F757-L809 HydrophobicContact CZ-CD2 3.67Å; F757-A826 HydrophobicContact CD1-CB 4.27Å; F757-A826 HydrophobicContact CD2-CB 3.78Å; F757-A826 HydrophobicContact CE1-CB 4.02Å; F757-A826 HydrophobicContact CE2-CB 3.5Å; F757-A826 VanDerWaalsContact CE2-CB 3.5Å; F757-A826 HydrophobicContact CG-CB 4.17Å; F757-A826 HydrophobicContact CZ-CB 3.63Å |
| 758 | R | 95.2 | Very high | 85.8 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.9 | 173.9 | -70.7 | -173.3 | 156.4 | -82.4 | -2.1 | 109.5 | D726 R745 L746 F771 A772 L773 | D726-R758 IonicContact OD1-CZ 2.93Å; D726-R758 IonicContact OD1-NH2 2.89Å; D726-R758 PolarHBondContact OD1-NH2 2.95Å; D726-R758 IonicContact OD2-CZ 2.67Å; D726-R758 IonicContact OD2-NE 3.96Å; D726-R758 PolarHBondContact OD2-NE 2.85Å; D726-R758 IonicContact OD2-NH2 3.27Å; D726-R758 PolarHBondContact OD2-NH2 2.7Å; R745-R758 CarbonylContact C-O 3.45Å; R745-R758 WeakPolarHBondContact CA-O 3.33Å; R745-R758 WeakPolarHBondContact CB-O 3.28Å; L746-R758 HydrophobicContact CB-CB 4.23Å; L746-R758 PolarHBondContact N-O 3.32Å; L746-R758 PolarHBondContact O-N 3.01Å; R758-F771 HydrophobicContact CB-CB 4Å; R758-F771 HydrophobicContact CB-CD1 4.45Å; R758-F771 PolarHBondContact NH1-O 3.48Å; R758-A772 CarbonylContact C-O 3.54Å; R758-A772 WeakPolarHBondContact CA-O 3.39Å; R758-A772 WeakPolarHBondContact CB-O 3.4Å; R758-A772 WeakPolarHBondContact CG-O 3.4Å; R758-A772 VanDerWaalsContact NH1-C 3.25Å; R758-L773 HydrophobicContact CG-CB 4.49Å; R758-L773 HydrophobicContact CG-CD1 3.88Å |
| 759 | I | 94.4 | Very high | 85 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.3 | 178.6 | -170.9 | 168.4 | 0 | 0 | 0 | 109.6 | E743 R745 E761 F771 A772 E774 | E743-I759 HydrophobicContact CB-CD1 4.22Å; E743-I759 HydrophobicContact CG-CD1 4.21Å; R745-I759 HydrophobicContact CG-CB 4.37Å; R745-I759 HydrophobicContact CG-CG1 4.25Å; I759-E761 HydrophobicContact CG2-CG 3.99Å; I759-E761 PolarHBondContact O-N 3.45Å; I759-F771 CarbonylContact O-C 3.52Å; I759-F771 VanDerWaalsContact O-CA 3.3Å; I759-F771 WeakPolarHBondContact O-CA 3.35Å; I759-A772 PolarHBondContact N-O 3.15Å; I759-A772 PolarHBondContact O-N 2.76Å; I759-E774 HydrophobicContact CB-CB 4.42Å; I759-E774 HydrophobicContact CG2-CB 4.06Å; I759-E774 HydrophobicContact CG2-CG 4.49Å |
| 760 | L | 93.1 | Very high | 84.7 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 18% | 0.183 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 95.6 | -177.5 | -176.8 | 64.1 | 0 | 0 | 0 | 110.1 | L697 I744 A769 F771 | L697-L760 HydrophobicContact CD2-CD2 4.22Å; I744-L760 HydrophobicContact CB-CB 3.99Å; I744-L760 HydrophobicContact CB-CD2 4.02Å; I744-L760 HydrophobicContact CD1-CD2 4.15Å; I744-L760 HydrophobicContact CG2-CB 4.28Å; I744-L760 HydrophobicContact CG2-CD2 4.06Å; I744-L760 WeakPolarHBondContact O-CB 3.33Å; I744-L760 PolarHBondContact O-N 3.09Å; L760-A769 HydrophobicContact CD1-CB 3.93Å; L760-A769 HydrophobicContact CG-CB 4.22Å; L760-F771 HydrophobicContact CB-CD1 4.05Å; L760-F771 HydrophobicContact CB-CE1 3.78Å; L760-F771 HydrophobicContact CB-CZ 4.33Å; L760-F771 HydrophobicContact CD1-CD1 4.38Å; L760-F771 HydrophobicContact CD1-CD2 4.29Å; L760-F771 HydrophobicContact CD1-CE1 4.29Å; L760-F771 HydrophobicContact CD1-CE2 4.19Å; L760-F771 HydrophobicContact CD1-CG 4.38Å; L760-F771 HydrophobicContact CD1-CZ 4.19Å |
| 761 | E | 88.2 | Confident | 84.7 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 42% | 0.416 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 137.7 | 179.2 | -64.1 | -179.4 | -177.4 | 0 | 0 | 110.2 | I759 A769 H770 A772 | I759-E761 HydrophobicContact CG2-CG 3.99Å; I759-E761 PolarHBondContact O-N 3.45Å; E761-A769 CarbonylContact O-C 3.59Å; E761-A769 WeakPolarHBondContact O-CA 3.33Å; E761-A769 WeakPolarHBondContact O-CB 3.49Å; E761-H770 PolarHBondContact N-O 3.17Å; E761-H770 PolarHBondContact O-N 3.35Å; E761-A772 HydrophobicContact CB-CB 4.26Å; E761-A772 HydrophobicContact CG-CB 3.81Å; E761-A772 VanDerWaalsContact OE2-CB 3.31Å; E761-A772 WeakPolarHBondContact OE2-CB 3.29Å |
| 762 | P | 82.5 | Confident | 84.6 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.5 | 166.3 | 31 | -33 | 0 | 0 | 0 | 109.9 | ||
| 763 | D | 73.8 | Confident | 84.6 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 157 | 174.7 | -62.7 | 16.5 | 0 | 0 | 0 | 110.3 | S765 G766 T768 H770 | D763-S765 PolarHBondContact O-N 2.84Å; D763-G766 PolarHBondContact O-N 2.86Å; D763-T768 PolarHBondContact N-O 2.86Å; D763-T768 VanDerWaalsContact OD2-CB 3.23Å; D763-T768 WeakPolarHBondContact OD2-CB 3.24Å; D763-T768 PolarHBondContact OD2-OG1 2.88Å; D763-H770 IonicContact OD1-CE1 3.07Å; D763-H770 IonicContact OD1-CG 3.58Å; D763-H770 IonicContact OD1-ND1 3.62Å; D763-H770 PolarHBondContact OD1-ND1 2.93Å |
| 764 | E | 73.7 | Confident | 84.4 | Confident | 211 Ų | 211 | 56.1 Ų | 56.1 | 99% | 0.986 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -21.7 | 179.7 | -62.3 | -174 | 158.9 | 0 | 0 | 114.3 | ||
| 765 | S | 62.9 | Low | 84.2 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.6 | 177.2 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | D763 Q767 | D763-S765 PolarHBondContact O-N 2.84Å; S765-Q767 PolarHBondContact O-N 2.91Å; S765-Q767 PolarHBondContact OG-N 2.92Å; S765-Q767 VanDerWaalsContact OG-N 3.15Å |
| 766 | G | 61.3 | Low | 84.1 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 65% | 0.649 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 66.8 | 4.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D763 | D763-G766 PolarHBondContact O-N 2.86Š|
| 767 | Q | 57.6 | Low | 84 | Confident | 171 Ų | 171 | 66.3 Ų | 66.3 | 80% | 0.799 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -94 | -21.6 | -173.8 | -63.2 | 173.4 | 27.4 | 0 | 0 | 113.4 | S765 | S765-Q767 PolarHBondContact O-N 2.91Å; S765-Q767 PolarHBondContact OG-N 2.92Å; S765-Q767 VanDerWaalsContact OG-N 3.15Å |
| 768 | T | 68.8 | Low | 83.7 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | trans | -136.9 | 163 | -175.6 | 29.1 | 0 | 0 | 0 | 0 | 109.5 | D763 | D763-T768 PolarHBondContact N-O 2.86Å; D763-T768 VanDerWaalsContact OD2-CB 3.23Å; D763-T768 WeakPolarHBondContact OD2-CB 3.24Å; D763-T768 PolarHBondContact OD2-OG1 2.88Å | ||
| 769 | A | 81.1 | Confident | 83.1 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L760 E761 | L760-A769 HydrophobicContact CD1-CB 3.93Å; L760-A769 HydrophobicContact CG-CB 4.22Å; E761-A769 CarbonylContact O-C 3.59Å; E761-A769 WeakPolarHBondContact O-CA 3.33Å; E761-A769 WeakPolarHBondContact O-CB 3.49Å |
| 770 | H | 89.1 | Confident | 82.7 | Confident | 70 Ų | 70 | 80.7 Ų | 80.7 | 32% | 0.324 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.5 | -175.5 | 70.4 | -79.2 | 0 | 0 | 0 | 110.9 | E761 D763 A772 | E761-H770 PolarHBondContact N-O 3.17Å; E761-H770 PolarHBondContact O-N 3.35Å; D763-H770 IonicContact OD1-CE1 3.07Å; D763-H770 IonicContact OD1-CG 3.58Å; D763-H770 IonicContact OD1-ND1 3.62Å; D763-H770 PolarHBondContact OD1-ND1 2.93Å; H770-A772 PolarHBondContact O-N 3.19Å; H770-A772 VanDerWaalsContact O-N 3.15Å |
| 771 | F | 93.4 | Very high | 82.6 | Confident | 3 Ų | 3 | 82.5 Ų | 82.5 | 1% | 0.013 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 105.7 | 171.7 | -75.3 | -73.1 | 0 | 0 | 0 | 109.6 | L699 I711 Q722 I724 I736 I744 L746 R758 I759 L760 | L699-F771 HydrophobicContact CD1-CE2 4.36Å; L699-F771 HydrophobicContact CD1-CZ 4.44Å; I711-F771 HydrophobicContact CG1-CD2 4.28Å; I711-F771 HydrophobicContact CG1-CE2 4.43Å; I711-F771 HydrophobicContact CG2-CE2 4.45Å; Q722-F771 PolarHBondContact NE2-O 3.07Å; I724-F771 HydrophobicContact CD1-CB 4.04Å; I736-F771 HydrophobicContact CD1-CE2 4.15Å; I736-F771 HydrophobicContact CD1-CZ 4.12Å; I736-F771 HydrophobicContact CG1-CE2 4.48Å; I736-F771 HydrophobicContact CG1-CZ 4.15Å; I736-F771 HydrophobicContact CG2-CE1 4.34Å; I736-F771 HydrophobicContact CG2-CZ 3.8Å; I744-F771 HydrophobicContact CG2-CE1 4.13Å; I744-F771 HydrophobicContact CG2-CZ 4.16Å; L746-F771 HydrophobicContact CB-CD1 3.58Å; L746-F771 HydrophobicContact CB-CD2 4.4Å; L746-F771 HydrophobicContact CB-CE1 3.71Å; L746-F771 HydrophobicContact CB-CG 3.95Å; L746-F771 HydrophobicContact CB-CZ 4.19Å; L746-F771 HydrophobicContact CD2-CB 4.39Å; L746-F771 HydrophobicContact CD2-CD2 4.29Å; L746-F771 HydrophobicContact CD2-CG 4.2Å; R758-F771 HydrophobicContact CB-CB 4Å; R758-F771 HydrophobicContact CB-CD1 4.45Å; R758-F771 PolarHBondContact NH1-O 3.48Å; I759-F771 CarbonylContact O-C 3.52Å; I759-F771 VanDerWaalsContact O-CA 3.3Å; I759-F771 WeakPolarHBondContact O-CA 3.35Å; L760-F771 HydrophobicContact CB-CD1 4.05Å; L760-F771 HydrophobicContact CB-CE1 3.78Å; L760-F771 HydrophobicContact CB-CZ 4.33Å; L760-F771 HydrophobicContact CD1-CD1 4.38Å; L760-F771 HydrophobicContact CD1-CD2 4.29Å; L760-F771 HydrophobicContact CD1-CE1 4.29Å; L760-F771 HydrophobicContact CD1-CE2 4.19Å; L760-F771 HydrophobicContact CD1-CG 4.38Å; L760-F771 HydrophobicContact CD1-CZ 4.19Å |
| 772 | A | 92 | Very high | 82.8 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 11% | 0.107 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 160.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R758 I759 E761 H770 | R758-A772 CarbonylContact C-O 3.54Å; R758-A772 WeakPolarHBondContact CA-O 3.39Å; R758-A772 WeakPolarHBondContact CB-O 3.4Å; R758-A772 WeakPolarHBondContact CG-O 3.4Å; R758-A772 VanDerWaalsContact NH1-C 3.25Å; I759-A772 PolarHBondContact N-O 3.15Å; I759-A772 PolarHBondContact O-N 2.76Å; E761-A772 HydrophobicContact CB-CB 4.26Å; E761-A772 HydrophobicContact CG-CB 3.81Å; E761-A772 VanDerWaalsContact OE2-CB 3.31Å; E761-A772 WeakPolarHBondContact OE2-CB 3.29Å; H770-A772 PolarHBondContact O-N 3.19Å; H770-A772 VanDerWaalsContact O-N 3.15Å |
| 773 | L | 93.2 | Very high | 83.2 | Confident | 78 Ų | 78 | 74 Ų | 74 | 41% | 0.408 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.7 | -174.5 | -175.9 | 65.8 | 0 | 0 | 0 | 111.8 | L756 R758 H776 | L756-L773 HydrophobicContact CB-CD1 4.24Å; L756-L773 HydrophobicContact CD2-CD1 4.36Å; R758-L773 HydrophobicContact CG-CB 4.49Å; R758-L773 HydrophobicContact CG-CD1 3.88Å; L773-H776 HydrophobicContact CD2-CB 4.46Å |
| 774 | E | 90.9 | Very high | 84.1 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 26% | 0.262 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -48.5 | -177 | -172.4 | -166 | -166 | 0 | 0 | 111.6 | R745 F757 I759 | R745-E774 VanDerWaalsContact CZ-CD 3.44Å; R745-E774 IonicContact CZ-OE1 3.62Å; R745-E774 IonicContact CZ-OE2 3.71Å; R745-E774 IonicContact NE-OE2 2.74Å; R745-E774 IonicContact NH1-OE1 3.81Å; R745-E774 PolarHBondContact NH1-OE1 2.96Å; R745-E774 IonicContact NH1-OE2 3.83Å; R745-E774 PolarHBondContact NH1-OE2 3.36Å; R745-E774 IonicContact NH2-OE1 2.7Å; R745-E774 PolarHBondContact NH2-OE1 2.84Å; R745-E774 IonicContact NH2-OE2 2.71Å; F757-E774 PolarHBondContact O-N 2.92Å; I759-E774 HydrophobicContact CB-CB 4.42Å; I759-E774 HydrophobicContact CG2-CB 4.06Å; I759-E774 HydrophobicContact CG2-CG 4.49Å |
| 775 | H | 90.9 | Very high | 85.1 | Confident | 57 Ų | 57 | 63 Ų | 63 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 134.2 | -178.8 | -54.1 | -42 | 0 | 0 | 0 | 112.1 | F757 A826 | F757-H775 HydrophobicContact CB-CB 4.05Å; F757-H775 HydrophobicContact CD2-CB 4.04Å; F757-H775 HydrophobicContact CG-CB 4.34Å; F757-H775 PolarHBondContact N-O 3.42Å; F757-H775 PolarHBondContact O-N 2.81Å; H775-A826 HydrophobicContact CB-CB 4.11Å; H775-A826 WeakPolarHBondContact CD2-CB 3.32Å |
| 776 | H | 93.1 | Very high | 86.7 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 104.5 | 173.1 | -176.9 | 175.8 | 0 | 0 | 0 | 109.5 | L756 L773 V778 | L756-H776 HydrophobicContact CD2-CB 3.99Å; L756-H776 WeakPolarHBondContact CD2-CD2 3.21Å; L773-H776 HydrophobicContact CD2-CB 4.46Å; H776-V778 VanDerWaalsContact NE2-CG2 3.35Å; H776-V778 WeakPolarHBondContact NE2-CG2 3.41Å |
| 777 | L | 92.3 | Very high | 88.2 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 100.6 | 176.9 | -54.5 | -172.2 | 0 | 0 | 0 | 110.7 | L755 F757 G779 Y821 A826 | L755-L777 HydrophobicContact CB-CB 4.29Å; L755-L777 HydrophobicContact CD2-CD1 4.43Å; L755-L777 PolarHBondContact N-O 2.78Å; L755-L777 PolarHBondContact O-N 3.12Å; F757-L777 HydrophobicContact CE2-CD1 4.02Å; F757-L777 HydrophobicContact CE2-CG 4.38Å; L777-G779 PolarHBondContact O-N 2.89Å; L777-Y821 HydrophobicContact CD1-CD1 4.21Å; L777-Y821 HydrophobicContact CD1-CE1 3.82Å; L777-A826 HydrophobicContact CD1-CB 4.17Å; L777-A826 WeakPolarHBondContact CD1-O 3.22Å |
| 778 | V | 89.7 | Confident | 89.9 | Confident | 107 Ų | 107 | 50.9 Ų | 50.9 | 65% | 0.648 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.3 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | H776 | H776-V778 VanDerWaalsContact NE2-CG2 3.35Å; H776-V778 WeakPolarHBondContact NE2-CG2 3.41Å |
| 779 | G | 82.4 | Confident | 90.8 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | trans | -83.9 | 162.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K753 L777 H781 | K753-G779 WeakPolarHBondContact CB-O 3.28Å; K753-G779 WeakPolarHBondContact CD-O 3.11Å; K753-G779 WeakPolarHBondContact O-CA 3.39Å; K753-G779 PolarHBondContact O-N 3.47Å; L777-G779 PolarHBondContact O-N 2.89Å; G779-H781 VanDerWaalsContact C-N 3.3Å | ||
| 780 | R | 87.5 | Confident | 90.7 | Very high | 218 Ų | 218 | 47.9 Ų | 47.9 | 82% | 0.823 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -78.5 | -16.3 | 168.3 | -62.3 | -175 | -172.6 | 177.1 | 2.3 | 113 | ||
| 781 | H | 90.5 | Very high | 89.7 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -136.3 | 147.8 | -168.4 | -41.9 | 119.9 | 0 | 0 | 0 | 110.3 | K753 G779 Q814 D815 | K753-H781 WeakPolarHBondContact CB-O 3.36Å; G779-H781 VanDerWaalsContact C-N 3.3Å; H781-Q814 HydrophobicContact CB-CB 4.4Å; H781-D815 HydrophobicContact CB-CB 4.19Å; H781-D815 IonicContact CE1-OD2 3.21Å; H781-D815 PolarHBondContact CE1-OD2 2.88Å; H781-D815 VanDerWaalsContact CE1-OD2 3.27Å; H781-D815 IonicContact CG-OD2 2.76Å; H781-D815 VanDerWaalsContact ND1-CB 3.34Å; H781-D815 WeakPolarHBondContact ND1-CB 3.43Å; H781-D815 IonicContact ND1-OD2 3.7Å; H781-D815 PolarHBondContact ND1-OD2 2.84Å |
| 782 | S | 92 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -67.6 | 150.2 | -176.2 | -39.6 | 0 | 0 | 0 | 0 | 111.7 | M751 Q814 | M751-S782 VanDerWaalsContact CE-OG 3.26Å; M751-S782 WeakPolarHBondContact CE-OG 3.42Å; M751-S782 PolarHBondContact O-OG 3.02Å; S782-Q814 VanDerWaalsContact CB-OE1 3.29Å; S782-Q814 WeakPolarHBondContact O-CB 3.25Å; S782-Q814 PolarHBondContact O-N 3.48Å; S782-Q814 PolarHBondContact OG-OE1 3.03Å | ||
| 783 | Q | 91.5 | Very high | 85.7 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 107 | -171.9 | -55.2 | -168.2 | 42.9 | 0 | 0 | 108.7 | F732 C749 G750 K753 S754 V811 | F732-Q783 WeakPolarHBondContact CD2-O 3.47Å; C749-Q783 HydrophobicContact CB-CB 3.77Å; G750-Q783 PolarHBondContact O-N 2.95Å; K753-Q783 PolarHBondContact O-NE2 2.93Å; S754-Q783 VanDerWaalsContact C-NE2 3.33Å; S754-Q783 PolarHBondContact O-NE2 2.82Å; Q783-V811 HydrophobicContact CB-CG1 4.13Å; Q783-V811 HydrophobicContact CG-CG1 4.47Å |
| 784 | L | 92.1 | Very high | 83.1 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -19 | -159.4 | -55.3 | -171.3 | 0 | 0 | 0 | 113.5 | F732 A812 F841 L842 | F732-L784 WeakPolarHBondContact CB-O 3.46Å; F732-L784 HydrophobicContact CD2-CD2 3.64Å; F732-L784 HydrophobicContact CE2-CD2 3.4Å; F732-L784 HydrophobicContact CG-CD2 4.49Å; F732-L784 HydrophobicContact CZ-CD2 4.12Å; L784-A812 PolarHBondContact N-O 3.38Å; L784-F841 HydrophobicContact CD1-CD2 3.67Å; L784-F841 HydrophobicContact CD1-CE2 3.65Å; L784-L842 WeakPolarHBondContact CD1-O 3.38Å |
| 785 | D | 95.2 | Very high | 80.4 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 162.7 | 167.5 | -163.7 | 20.9 | 0 | 0 | 0 | 111.8 | S733 A812 R844 C845 | S733-D785 PolarHBondContact OG-OD1 2.97Å; D785-A812 HydrophobicContact CB-CB 4.16Å; D785-A812 PolarHBondContact O-N 3.07Å; D785-R844 IonicContact OD1-NH1 3.61Å; D785-R844 WeakPolarHBondContact OD2-CA 3.35Å; D785-R844 WeakPolarHBondContact OD2-CD 3.47Å; D785-C845 PolarHBondContact OD2-N 2.93Å |
| 786 | A | 95.4 | Very high | 78 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | K735 L809 A810 V811 | K735-A786 WeakPolarHBondContact CE-O 3.24Å; A786-L809 HydrophobicContact CB-CD1 4.1Å; A786-A810 CarbonylContact C-O 3.54Å; A786-A810 VanDerWaalsContact CA-O 3.3Å; A786-A810 WeakPolarHBondContact CA-O 3.41Å; A786-V811 HydrophobicContact CB-CG2 4.46Å |
| 787 | A | 94.6 | Very high | 75.3 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | A810 I847 | A787-A810 PolarHBondContact N-O 3.01Å; A787-A810 PolarHBondContact O-N 3.29Å; A787-I847 HydrophobicContact CB-CB 4.49Å; A787-I847 HydrophobicContact CB-CD1 3.88Å; A787-I847 HydrophobicContact CB-CG1 3.84Å |
| 788 | I | 92.5 | Very high | 72.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.4 | -175.4 | -58.6 | 165.3 | 0 | 0 | 0 | 108.5 | K735 I737 I747 L809 | K735-I788 HydrophobicContact CB-CD1 4.06Å; K735-I788 HydrophobicContact CD-CD1 4.26Å; I737-I788 HydrophobicContact CD1-CD1 4.18Å; I737-I788 HydrophobicContact CD1-CG2 4.3Å; I737-I788 HydrophobicContact CG1-CD1 4.36Å; I737-I788 HydrophobicContact CG2-CD1 3.65Å; I737-I788 HydrophobicContact CG2-CG2 4.25Å; I747-I788 HydrophobicContact CD1-CD1 4.31Å; I788-L809 HydrophobicContact CD1-CD1 4.17Å; I788-L809 HydrophobicContact CG1-CD1 3.55Å |
| 789 | T | 88.4 | Confident | 70.3 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 126.6 | 173.5 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | Y808 I847 L868 | T789-Y808 HydrophobicContact CG2-CD2 4.13Å; T789-Y808 PolarHBondContact N-O 2.69Å; T789-Y808 PolarHBondContact OG1-N 2.91Å; T789-Y808 PolarHBondContact OG1-O 3.41Å; T789-I847 HydrophobicContact CG2-CD1 4.31Å; T789-L868 HydrophobicContact CG2-CD2 3.47Å; T789-L868 VanDerWaalsContact CG2-CD2 3.47Å |
| 790 | P | 78.4 | Confident | 68.3 | Low | 50 Ų | 50 | 60.3 Ų | 60.3 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 146.6 | -179.8 | 27.9 | -34.6 | 0 | 0 | 0 | 111.1 | P849 | P790-P849 VanDerWaalsContact CG-O 3.28Å; P790-P849 WeakPolarHBondContact CG-O 3.47Å |
| 791 | M | 67.1 | Low | 65.9 | Low | 26 Ų | 26 | 56 Ų | 56 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -70 | 141.6 | 161.6 | -134.5 | -179.8 | -160.1 | 0 | 0 | 108.4 | Q449 Y692 D740 R807 | Q449-M791 PolarHBondContact NE2-O 2.8Å; Y692-M791 HydrophobicContact CD2-SD 3.77Å; Y692-M791 HydrophobicContact CE2-CB 3.98Å; Y692-M791 HydrophobicContact CE2-SD 3.87Å; Y692-M791 HydrophobicContact CG-SD 4.39Å; D740-M791 HydrophobicContact CB-CE 4.47Å; D740-M791 WeakPolarHBondContact OD1-CE 3.21Å; M791-R807 PolarHBondContact SD-NH2 2.73Å |
| 792 | L | 57.1 | Low | 63.4 | Low | 37 Ų | 37 | 55.5 Ų | 55.5 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 136.7 | 156.2 | -72.8 | 91.8 | 0 | 0 | 0 | 107.4 | S794 I922 | L792-S794 PolarHBondContact O-N 3.31Å; L792-I922 HydrophobicContact CD2-CG1 3.69Å |
| 793 | P | 45.1 | Very low | 60.9 | Low | 60 Ų | 60 | 61 Ų | 61 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | trans | -65.7 | 104.5 | 179 | 24.8 | -33.1 | 0 | 0 | 0 | 110.7 | K929 | P793-K929 WeakPolarHBondContact O-CE 3.39Å; P793-K929 PolarHBondContact O-NZ 3.16Å | ||
| 794 | S | 38.6 | Very low | 58.6 | Low | 57 Ų | 57 | 66.3 Ų | 66.3 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | trans | -76.8 | 146.8 | 155.1 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | L792 | L792-S794 PolarHBondContact O-N 3.31Š| ||
| 795 | S | 33.4 | Very low | 56.8 | Low | 51 Ų | 51 | 72 Ų | 72 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | trans | -60.5 | 149.5 | 168.5 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | E797 N798 | S795-E797 PolarHBondContact O-N 3.25Å; S795-N798 PolarHBondContact O-N 3.41Å; S795-N798 PolarHBondContact OG-ND2 3.04Å | ||
| 796 | I | 40.6 | Very low | 55.4 | Low | 140 Ų | 140 | 76.4 Ų | 76.4 | 72% | 0.718 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -55 | -40.2 | -174.1 | -66.9 | 171.6 | 0 | 0 | 0 | 111.3 | N798 R799 | I796-N798 PolarHBondContact O-N 3.1Å; I796-R799 WeakPolarHBondContact O-CB 3.25Å; I796-R799 PolarHBondContact O-N 3.14Å; I796-R799 VanDerWaalsContact O-N 3.09Å |
| 797 | E | 36.3 | Very low | 54.7 | Low | 157 Ų | 157 | 76.7 Ų | 76.7 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -57.1 | -32.7 | 177.5 | -59.3 | 166.9 | 137.5 | 0 | 0 | 113.4 | S795 R799 | S795-E797 PolarHBondContact O-N 3.25Å; E797-R799 VanDerWaalsContact C-N 3.29Å; E797-R799 PolarHBondContact O-N 2.91Å |
| 798 | N | 37.1 | Very low | 54.5 | Low | 57 Ų | 57 | 78.4 Ų | 78.4 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -77.6 | -10.3 | -179.5 | -84.8 | -68.3 | 0 | 0 | 0 | 113.7 | S795 I796 I800 N801 S802 | S795-N798 PolarHBondContact O-N 3.41Å; S795-N798 PolarHBondContact OG-ND2 3.04Å; I796-N798 PolarHBondContact O-N 3.1Å; N798-I800 PolarHBondContact O-N 2.76Å; N798-N801 PolarHBondContact O-N 3.03Å; N798-S802 WeakPolarHBondContact O-CB 3.31Å; N798-S802 PolarHBondContact O-N 2.88Å |
| 799 | R | 40.7 | Very low | 54.6 | Low | 95 Ų | 95 | 77.2 Ų | 77.2 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -63.2 | -23.9 | 178.3 | -151.6 | -169.4 | -65.5 | -132.9 | 15.5 | 112.2 | S693 E738 D740 I796 E797 | S693-R799 PolarHBondContact OG-NH2 3.19Å; E738-R799 IonicContact OE1-NH1 2.89Å; E738-R799 IonicContact OE1-NH2 2.71Å; D740-R799 WeakPolarHBondContact O-CD 3.47Å; D740-R799 PolarHBondContact O-NH1 2.93Å; I796-R799 WeakPolarHBondContact O-CB 3.25Å; I796-R799 PolarHBondContact O-N 3.14Å; I796-R799 VanDerWaalsContact O-N 3.09Å; E797-R799 VanDerWaalsContact C-N 3.29Å; E797-R799 PolarHBondContact O-N 2.91Å |
| 800 | I | 41 | Very low | 54.9 | Low | 150 Ų | 150 | 76.6 Ų | 76.6 | 77% | 0.769 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -78.2 | -31.7 | 179.3 | -59.1 | 175.1 | 0 | 0 | 0 | 112.3 | N798 | N798-I800 PolarHBondContact O-N 2.76Š|
| 801 | N | 36.9 | Very low | 55.8 | Low | 128 Ų | 128 | 74.2 Ų | 74.2 | 68% | 0.684 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -14.5 | -173.1 | -71.6 | -30.1 | 0 | 0 | 0 | 114.6 | N798 T803 | N798-N801 PolarHBondContact O-N 3.03Å; N801-T803 VanDerWaalsContact C-N 3.32Å; N801-T803 PolarHBondContact O-N 3.49Å |
| 802 | S | 37.6 | Very low | 57.1 | Low | 63 Ų | 63 | 73 Ų | 73 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | trans | -79 | 67.7 | -174.9 | 177.5 | 0 | 0 | 0 | 0 | 113.7 | N798 | N798-S802 WeakPolarHBondContact O-CB 3.31Å; N798-S802 PolarHBondContact O-N 2.88Å | ||
| 803 | T | 38.4 | Very low | 58.8 | Low | 117 Ų | 117 | 71.4 Ų | 71.4 | 72% | 0.718 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 140.4 | 179.3 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | N801 R805 | N801-T803 VanDerWaalsContact C-N 3.32Å; N801-T803 PolarHBondContact O-N 3.49Å; T803-R805 PolarHBondContact O-N 3.15Å |
| 804 | N | 45.1 | Very low | 61.1 | Low | 117 Ų | 117 | 72.2 Ų | 72.2 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 17.2 | 161.2 | -72.5 | -68.2 | 0 | 0 | 0 | 121.2 | K806 | N804-K806 PolarHBondContact O-N 3.43Å; N804-K806 WeakPolarHBondContact OD1-CE 3.43Å |
| 805 | R | 54 | Low | 63.6 | Low | 140 Ų | 140 | 71 Ų | 71 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | trans | -78.9 | 55.7 | 164.9 | -83.3 | -125.2 | 178.7 | 169.7 | 7.3 | 113.7 | T803 R807 S925 | T803-R805 PolarHBondContact O-N 3.15Å; R805-R807 PolarHBondContact O-N 3.3Å; R805-S925 VanDerWaalsContact CZ-OG 3.29Å; R805-S925 PolarHBondContact NH1-OG 2.85Å; R805-S925 PolarHBondContact NH2-OG 3.35Å | ||
| 806 | K | 65 | Low | 66.3 | Low | 103 Ų | 103 | 72.9 Ų | 72.9 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | trans | -54.8 | 125.8 | -176.4 | -56 | -179.2 | -175.2 | -174.3 | 0 | 112.2 | N804 Y808 | N804-K806 PolarHBondContact O-N 3.43Å; N804-K806 WeakPolarHBondContact OD1-CE 3.43Å; K806-Y808 HydrophobicContact CB-CE1 4.01Å; K806-Y808 WeakPolarHBondContact O-CD2 3.38Å; K806-Y808 WeakPolarHBondContact O-CE2 3.41Å; K806-Y808 VanDerWaalsContact O-CZ 3.25Å | ||
| 807 | R | 80.9 | Confident | 68.7 | Low | 14 Ų | 14 | 71 Ų | 71 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | trans | -66.2 | 145.3 | 169.3 | -76.8 | 163.5 | 171.7 | -111.4 | 17.7 | 113.9 | E738 D740 M791 R805 V823 | E738-R807 PolarHBondContact O-NE 2.98Å; E738-R807 PolarHBondContact O-NH1 2.96Å; E738-R807 PolarHBondContact O-NH2 2.93Å; D740-R807 WeakPolarHBondContact OD1-CD 3.44Å; D740-R807 WeakPolarHBondContact OD1-CG 3.43Å; D740-R807 IonicContact OD1-NE 3.01Å; D740-R807 PolarHBondContact OD1-NE 2.93Å; D740-R807 WeakPolarHBondContact OD2-CD 3.3Å; D740-R807 WeakPolarHBondContact OD2-CG 3.31Å; D740-R807 PolarHBondContact OD2-N 2.62Å; M791-R807 PolarHBondContact SD-NH2 2.73Å; R805-R807 PolarHBondContact O-N 3.3Å; R807-V823 HydrophobicContact CB-CB 4.12Å; R807-V823 HydrophobicContact CB-CG2 3.9Å; R807-V823 PolarHBondContact O-N 2.84Å | ||
| 808 | Y | 90.2 | Very high | 71.5 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 18% | 0.18 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.9 | 179.9 | -52.2 | -60.1 | 0 | 0 | 0 | 112.4 | T789 K806 I820 Y821 I829 L869 | T789-Y808 HydrophobicContact CG2-CD2 4.13Å; T789-Y808 PolarHBondContact N-O 2.69Å; T789-Y808 PolarHBondContact OG1-N 2.91Å; T789-Y808 PolarHBondContact OG1-O 3.41Å; K806-Y808 HydrophobicContact CB-CE1 4.01Å; K806-Y808 WeakPolarHBondContact O-CD2 3.38Å; K806-Y808 WeakPolarHBondContact O-CE2 3.41Å; K806-Y808 VanDerWaalsContact O-CZ 3.25Å; Y808-I820 HydrophobicContact CG-CG2 4.38Å; Y808-Y821 WeakPolarHBondContact CA-O 3.26Å; Y808-I829 HydrophobicContact CD1-CD1 3.31Å; Y808-I829 HydrophobicContact CE1-CD1 3.29Å; Y808-L869 HydrophobicContact CD2-CD1 4.46Å; Y808-L869 HydrophobicContact CD2-CD2 3.76Å; Y808-L869 HydrophobicContact CE2-CD1 3.8Å; Y808-L869 HydrophobicContact CE2-CD2 3.67Å; Y808-L869 HydrophobicContact CE2-CG 4.33Å; Y808-L869 HydrophobicContact CG-CD2 4.32Å |
| 809 | L | 94.5 | Very high | 74.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.6 | 170.9 | 171.9 | 76.9 | 0 | 0 | 0 | 108.4 | I747 L755 F757 A786 I788 V811 I820 Y821 V823 | I747-L809 HydrophobicContact CD1-CD1 4.34Å; I747-L809 HydrophobicContact CD1-CD2 4.38Å; I747-L809 HydrophobicContact CG2-CD1 4.14Å; I747-L809 HydrophobicContact CG2-CD2 3.91Å; L755-L809 HydrophobicContact CD1-CD2 4.17Å; L755-L809 HydrophobicContact CD2-CD2 3.85Å; F757-L809 HydrophobicContact CE1-CD2 4Å; F757-L809 HydrophobicContact CZ-CD2 3.67Å; A786-L809 HydrophobicContact CB-CD1 4.1Å; I788-L809 HydrophobicContact CD1-CD1 4.17Å; I788-L809 HydrophobicContact CG1-CD1 3.55Å; L809-V811 HydrophobicContact CD1-CG2 4.47Å; L809-V811 HydrophobicContact CD2-CG2 3.92Å; L809-V811 HydrophobicContact CG-CG2 3.88Å; L809-I820 CarbonylContact O-C 3.57Å; L809-I820 WeakPolarHBondContact O-CA 3.2Å; L809-Y821 HydrophobicContact CD2-CD2 4.37Å; L809-Y821 PolarHBondContact N-O 3.24Å; L809-Y821 PolarHBondContact O-N 3.09Å; L809-V823 HydrophobicContact CB-CG2 4.14Å |
| 810 | A | 95.5 | Very high | 76.8 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A786 A787 L818 R819 I820 I847 I854 L868 | A786-A810 CarbonylContact C-O 3.54Å; A786-A810 VanDerWaalsContact CA-O 3.3Å; A786-A810 WeakPolarHBondContact CA-O 3.41Å; A787-A810 PolarHBondContact N-O 3.01Å; A787-A810 PolarHBondContact O-N 3.29Å; A810-L818 HydrophobicContact CB-CD1 4.31Å; A810-R819 CarbonylContact C-O 3.53Å; A810-R819 WeakPolarHBondContact CA-O 3.39Å; A810-I820 HydrophobicContact CB-CD1 3.6Å; A810-I847 HydrophobicContact CB-CD1 3.97Å; A810-I854 HydrophobicContact CB-CD1 3.31Å; A810-L868 HydrophobicContact CB-CD1 4.27Å |
| 811 | V | 96 | Very high | 79.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.1 | -178.2 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | L755 Q783 A786 L809 R819 Y821 | L755-V811 HydrophobicContact CD2-CG2 4.24Å; Q783-V811 HydrophobicContact CB-CG1 4.13Å; Q783-V811 HydrophobicContact CG-CG1 4.47Å; A786-V811 HydrophobicContact CB-CG2 4.46Å; L809-V811 HydrophobicContact CD1-CG2 4.47Å; L809-V811 HydrophobicContact CD2-CG2 3.92Å; L809-V811 HydrophobicContact CG-CG2 3.88Å; V811-R819 PolarHBondContact N-O 3.09Å; V811-R819 PolarHBondContact O-N 3.07Å; V811-Y821 HydrophobicContact CB-CE2 4.29Å; V811-Y821 HydrophobicContact CG2-CD2 3.95Å; V811-Y821 HydrophobicContact CG2-CE2 3.88Å |
| 812 | A | 95.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 114 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L784 D785 L842 C845 | L784-A812 PolarHBondContact N-O 3.38Å; D785-A812 HydrophobicContact CB-CB 4.16Å; D785-A812 PolarHBondContact O-N 3.07Å; A812-L842 HydrophobicContact CB-CB 3.83Å; A812-L842 HydrophobicContact CB-CD1 4.37Å; A812-C845 HydrophobicContact CB-CB 4.22Å |
| 813 | C | 93.6 | Very high | 84.2 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 149.1 | -174.7 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | D815 R816 R817 R819 | C813-D815 WeakPolarHBondContact CB-OD1 3.43Å; C813-D815 PolarHBondContact O-N 3.17Å; C813-D815 VanDerWaalsContact O-N 3.12Å; C813-R816 PolarHBondContact O-N 3.38Å; C813-R816 VanDerWaalsContact O-N 3.15Å; C813-R817 WeakPolarHBondContact CB-O 3.42Å; C813-R817 PolarHBondContact N-O 2.87Å; C813-R817 VanDerWaalsContact N-O 3.11Å; C813-R819 PolarHBondContact SG-NH1 2.78Å |
| 814 | Q | 91.9 | Very high | 86.5 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.9 | 178.7 | -167.9 | -177.3 | 14.5 | 0 | 0 | 113.6 | H781 S782 R816 F841 | H781-Q814 HydrophobicContact CB-CB 4.4Å; S782-Q814 VanDerWaalsContact CB-OE1 3.29Å; S782-Q814 WeakPolarHBondContact O-CB 3.25Å; S782-Q814 PolarHBondContact O-N 3.48Å; S782-Q814 PolarHBondContact OG-OE1 3.03Å; Q814-R816 PolarHBondContact O-N 3.17Å; Q814-F841 HydrophobicContact CG-CB 4.5Å; Q814-F841 HydrophobicContact CG-CG 4.49Å; Q814-F841 WeakPolarHBondContact O-CB 3.46Å |
| 815 | D | 90.8 | Very high | 88.6 | Confident | 31 Ų | 31 | 39 Ų | 39 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 16.9 | 176.6 | 66.3 | -14.7 | 0 | 0 | 0 | 114.8 | H781 C813 R817 R819 | H781-D815 HydrophobicContact CB-CB 4.19Å; H781-D815 IonicContact CE1-OD2 3.21Å; H781-D815 PolarHBondContact CE1-OD2 2.88Å; H781-D815 VanDerWaalsContact CE1-OD2 3.27Å; H781-D815 IonicContact CG-OD2 2.76Å; H781-D815 VanDerWaalsContact ND1-CB 3.34Å; H781-D815 WeakPolarHBondContact ND1-CB 3.43Å; H781-D815 IonicContact ND1-OD2 3.7Å; H781-D815 PolarHBondContact ND1-OD2 2.84Å; C813-D815 WeakPolarHBondContact CB-OD1 3.43Å; C813-D815 PolarHBondContact O-N 3.17Å; C813-D815 VanDerWaalsContact O-N 3.12Å; D815-R817 PolarHBondContact O-N 2.86Å; D815-R817 WeakPolarHBondContact OD1-CB 3.48Å; D815-R819 IonicContact OD1-CZ 2.86Å; D815-R819 IonicContact OD1-NH1 3.53Å; D815-R819 PolarHBondContact OD1-NH1 2.78Å; D815-R819 IonicContact OD1-NH2 3.8Å; D815-R819 IonicContact OD2-CZ 3.77Å; D815-R819 IonicContact OD2-NH1 3.63Å; D815-R819 PolarHBondContact OD2-NH1 2.83Å; D815-R819 VanDerWaalsContact OD2-NH1 3.14Å; D815-R819 IonicContact OD2-NH2 2.77Å; D815-R819 PolarHBondContact OD2-NH2 2.98Å |
| 816 | R | 90.7 | Very high | 90.3 | Very high | 91 Ų | 91 | 32.6 Ų | 32.6 | 34% | 0.343 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 70.7 | 13.9 | 178.2 | -40.1 | 163.8 | -75.7 | -160.8 | -6.1 | 112.9 | C813 Q814 G834 E838 G840 | C813-R816 PolarHBondContact O-N 3.38Å; C813-R816 VanDerWaalsContact O-N 3.15Å; Q814-R816 PolarHBondContact O-N 3.17Å; R816-G834 PolarHBondContact O-N 2.9Å; R816-E838 WeakPolarHBondContact CD-O 3.45Å; R816-E838 PolarHBondContact NH1-O 2.84Å; R816-G840 VanDerWaalsContact CG-O 3.29Å; R816-G840 WeakPolarHBondContact CG-O 3.42Å |
| 817 | R | 92.2 | Very high | 91.6 | Very high | 101 Ų | 101 | 36.4 Ų | 36.4 | 38% | 0.381 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.8 | -179.6 | -61.9 | -64.3 | -174.7 | 158.1 | 0.6 | 112 | C813 D815 Y832 L842 | C813-R817 WeakPolarHBondContact CB-O 3.42Å; C813-R817 PolarHBondContact N-O 2.87Å; C813-R817 VanDerWaalsContact N-O 3.11Å; D815-R817 PolarHBondContact O-N 2.86Å; D815-R817 WeakPolarHBondContact OD1-CB 3.48Å; R817-Y832 VanDerWaalsContact CA-O 3.23Å; R817-Y832 WeakPolarHBondContact CA-O 3.24Å; R817-Y832 WeakPolarHBondContact CD-O 3.41Å; R817-L842 WeakPolarHBondContact O-CD1 3.29Å |
| 818 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.2 | 167.4 | 179.6 | 66.5 | 0 | 0 | 0 | 107.3 | A810 I820 C831 Y832 L842 I854 T856 | A810-L818 HydrophobicContact CB-CD1 4.31Å; L818-I820 HydrophobicContact CG-CD1 4.21Å; L818-C831 WeakPolarHBondContact O-CA 3.49Å; L818-Y832 HydrophobicContact CD2-CD2 4.3Å; L818-Y832 PolarHBondContact N-O 2.92Å; L818-Y832 PolarHBondContact O-N 2.87Å; L818-L842 HydrophobicContact CB-CD1 4.12Å; L818-I854 HydrophobicContact CD1-CD1 3.95Å; L818-I854 HydrophobicContact CD2-CD1 4.12Å; L818-I854 HydrophobicContact CD2-CG2 3.83Å; L818-T856 HydrophobicContact CD1-CG2 4.11Å; L818-T856 HydrophobicContact CD2-CG2 4.16Å |
| 819 | R | 94.2 | Very high | 92.1 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.2 | -179.1 | -68.8 | -178.6 | 170.7 | 72.8 | 5.3 | 110.3 | A810 V811 C813 D815 Y821 C831 | A810-R819 CarbonylContact C-O 3.53Å; A810-R819 WeakPolarHBondContact CA-O 3.39Å; V811-R819 PolarHBondContact N-O 3.09Å; V811-R819 PolarHBondContact O-N 3.07Å; C813-R819 PolarHBondContact SG-NH1 2.78Å; D815-R819 IonicContact OD1-CZ 2.86Å; D815-R819 IonicContact OD1-NH1 3.53Å; D815-R819 PolarHBondContact OD1-NH1 2.78Å; D815-R819 IonicContact OD1-NH2 3.8Å; D815-R819 IonicContact OD2-CZ 3.77Å; D815-R819 IonicContact OD2-NH1 3.63Å; D815-R819 PolarHBondContact OD2-NH1 2.83Å; D815-R819 VanDerWaalsContact OD2-NH1 3.14Å; D815-R819 IonicContact OD2-NH2 2.77Å; D815-R819 PolarHBondContact OD2-NH2 2.98Å; R819-Y821 HydrophobicContact CB-CD2 4.23Å; R819-Y821 HydrophobicContact CB-CE2 3.53Å; R819-Y821 WeakPolarHBondContact CD-OH 3.48Å; R819-C831 HydrophobicContact CG-CB 4.5Å |
| 820 | I | 94.7 | Very high | 92 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.8 | 176.9 | -47.4 | -56.3 | 0 | 0 | 0 | 108.3 | Y808 L809 A810 L818 I829 R830 Y832 L868 | Y808-I820 HydrophobicContact CG-CG2 4.38Å; L809-I820 CarbonylContact O-C 3.57Å; L809-I820 WeakPolarHBondContact O-CA 3.2Å; A810-I820 HydrophobicContact CB-CD1 3.6Å; L818-I820 HydrophobicContact CG-CD1 4.21Å; I820-I829 PolarHBondContact O-N 3.36Å; I820-R830 HydrophobicContact CB-CB 4.24Å; I820-R830 HydrophobicContact CG1-CB 4.31Å; I820-R830 PolarHBondContact N-O 3.4Å; I820-R830 PolarHBondContact O-N 2.99Å; I820-Y832 HydrophobicContact CD1-CE2 4.35Å; I820-Y832 HydrophobicContact CG1-CD2 4.34Å; I820-Y832 HydrophobicContact CG1-CE2 3.73Å; I820-L868 HydrophobicContact CD1-CD1 3.67Å |
| 821 | Y | 93.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 150.3 | 178.5 | -62 | -95.8 | 0 | 0 | 0 | 110.8 | L755 L777 Y808 L809 V811 R819 A826 R827 P828 | L755-Y821 HydrophobicContact CD2-CD2 4.23Å; L755-Y821 HydrophobicContact CD2-CE2 4Å; L777-Y821 HydrophobicContact CD1-CD1 4.21Å; L777-Y821 HydrophobicContact CD1-CE1 3.82Å; Y808-Y821 WeakPolarHBondContact CA-O 3.26Å; L809-Y821 HydrophobicContact CD2-CD2 4.37Å; L809-Y821 PolarHBondContact N-O 3.24Å; L809-Y821 PolarHBondContact O-N 3.09Å; V811-Y821 HydrophobicContact CB-CE2 4.29Å; V811-Y821 HydrophobicContact CG2-CD2 3.95Å; V811-Y821 HydrophobicContact CG2-CE2 3.88Å; R819-Y821 HydrophobicContact CB-CD2 4.23Å; R819-Y821 HydrophobicContact CB-CE2 3.53Å; R819-Y821 WeakPolarHBondContact CD-OH 3.48Å; Y821-A826 WeakPolarHBondContact CD1-O 3.03Å; Y821-R827 WeakPolarHBondContact CA-O 3.3Å; Y821-P828 HydrophobicContact CD1-CB 3.89Å; Y821-P828 HydrophobicContact CE1-CB 3.84Å; Y821-P828 HydrophobicContact CE1-CG 4.45Å |
| 822 | N | 89.9 | Confident | 91.5 | Very high | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 132 | 162.4 | 175.5 | -104.5 | 0 | 0 | 0 | 108.2 | I824 T825 A826 R827 I829 | N822-I824 PolarHBondContact OD1-N 2.74Å; N822-T825 WeakPolarHBondContact OD1-CB 3.49Å; N822-T825 PolarHBondContact OD1-N 2.85Å; N822-T825 PolarHBondContact OD1-OG1 2.75Å; N822-A826 VanDerWaalsContact O-CA 3.24Å; N822-A826 WeakPolarHBondContact O-CA 3.48Å; N822-A826 PolarHBondContact O-N 3.2Å; N822-A826 VanDerWaalsContact O-N 3.15Å; N822-R827 PolarHBondContact N-O 2.87Å; N822-I829 HydrophobicContact CB-CD1 3.84Å; N822-I829 HydrophobicContact CB-CG1 4.05Å |
| 823 | V | 89.2 | Confident | 91.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -47.1 | -176.6 | 166.3 | 0 | 0 | 0 | 0 | 112.2 | I737 T739 I747 R807 L809 | I737-V823 HydrophobicContact CD1-CG1 3.48Å; I737-V823 VanDerWaalsContact CD1-CG1 3.48Å; I737-V823 HydrophobicContact CD1-CG2 4.25Å; T739-V823 HydrophobicContact CG2-CG1 3.98Å; I747-V823 HydrophobicContact CD1-CG1 4.47Å; R807-V823 HydrophobicContact CB-CB 4.12Å; R807-V823 HydrophobicContact CB-CG2 3.9Å; R807-V823 PolarHBondContact O-N 2.84Å; L809-V823 HydrophobicContact CB-CG2 4.14Å |
| 824 | I | 86.6 | Confident | 90.5 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -39.9 | -168.5 | -60.8 | 157 | 0 | 0 | 0 | 112 | T739 D741 R745 N822 | T739-I824 HydrophobicContact CG2-CG1 4.14Å; D741-I824 WeakPolarHBondContact OD2-CD1 3.09Å; D741-I824 WeakPolarHBondContact OD2-CG1 3.33Å; R745-I824 PolarHBondContact NH1-O 3.09Å; N822-I824 PolarHBondContact OD1-N 2.74Å |
| 825 | T | 88.4 | Confident | 89.9 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -2.2 | -176.6 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | N822 R827 | N822-T825 WeakPolarHBondContact OD1-CB 3.49Å; N822-T825 PolarHBondContact OD1-N 2.85Å; N822-T825 PolarHBondContact OD1-OG1 2.75Å; T825-R827 PolarHBondContact O-N 3.19Å; T825-R827 PolarHBondContact OG1-N 3.11Å |
| 826 | A | 90.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | trans | 47.9 | 10.4 | -165 | 0 | 0 | 0 | 0 | 0 | 116 | F757 H775 L777 Y821 N822 | F757-A826 HydrophobicContact CD1-CB 4.27Å; F757-A826 HydrophobicContact CD2-CB 3.78Å; F757-A826 HydrophobicContact CE1-CB 4.02Å; F757-A826 HydrophobicContact CE2-CB 3.5Å; F757-A826 VanDerWaalsContact CE2-CB 3.5Å; F757-A826 HydrophobicContact CG-CB 4.17Å; F757-A826 HydrophobicContact CZ-CB 3.63Å; H775-A826 HydrophobicContact CB-CB 4.11Å; H775-A826 WeakPolarHBondContact CD2-CB 3.32Å; L777-A826 HydrophobicContact CD1-CB 4.17Å; L777-A826 WeakPolarHBondContact CD1-O 3.22Å; Y821-A826 WeakPolarHBondContact CD1-O 3.03Å; N822-A826 VanDerWaalsContact O-CA 3.24Å; N822-A826 WeakPolarHBondContact O-CA 3.48Å; N822-A826 PolarHBondContact O-N 3.2Å; N822-A826 VanDerWaalsContact O-N 3.15Å | ||
| 827 | R | 90.9 | Very high | 88.4 | Confident | 184 Ų | 184 | 52.7 Ų | 52.7 | 69% | 0.694 | 24% | 0.241 | S | C | * | . | trans | -73.6 | 134 | -176.2 | -69.2 | -177.4 | -179.2 | -164.6 | -0.5 | 111 | Y821 N822 T825 I829 | Y821-R827 WeakPolarHBondContact CA-O 3.3Å; N822-R827 PolarHBondContact N-O 2.87Å; T825-R827 PolarHBondContact O-N 3.19Å; T825-R827 PolarHBondContact OG1-N 3.11Å; R827-I829 PolarHBondContact O-N 2.71Å | ||
| 828 | P | 90.9 | Very high | 87.5 | Confident | 94 Ų | 94 | 50.8 Ų | 50.8 | 61% | 0.61 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.6 | 173.2 | 28 | -33.3 | 0 | 0 | 0 | 110.2 | Y821 | Y821-P828 HydrophobicContact CD1-CB 3.89Å; Y821-P828 HydrophobicContact CE1-CB 3.84Å; Y821-P828 HydrophobicContact CE1-CG 4.45Å |
| 829 | I | 91.6 | Very high | 86.5 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -45.7 | 179.2 | -42.1 | 178.9 | 0 | 0 | 0 | 110.5 | Y808 I820 N822 R827 | Y808-I829 HydrophobicContact CD1-CD1 3.31Å; Y808-I829 HydrophobicContact CE1-CD1 3.29Å; I820-I829 PolarHBondContact O-N 3.36Å; N822-I829 HydrophobicContact CB-CD1 3.84Å; N822-I829 HydrophobicContact CB-CG1 4.05Å; R827-I829 PolarHBondContact O-N 2.71Å |
| 830 | R | 92.2 | Very high | 85.8 | Confident | 126 Ų | 126 | 55.1 Ų | 55.1 | 48% | 0.475 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 153.5 | -174.8 | -60.4 | -172.3 | -179 | -84.4 | 5.5 | 111.4 | I820 Y832 L869 | I820-R830 HydrophobicContact CB-CB 4.24Å; I820-R830 HydrophobicContact CG1-CB 4.31Å; I820-R830 PolarHBondContact N-O 3.4Å; I820-R830 PolarHBondContact O-N 2.99Å; R830-Y832 HydrophobicContact CB-CE1 4.07Å; R830-Y832 HydrophobicContact CB-CE2 4.28Å; R830-Y832 WeakPolarHBondContact CD-OH 3.49Å; R830-L869 WeakPolarHBondContact CD-O 3.29Å; R830-L869 PolarHBondContact NE-O 3.36Å |
| 831 | C | 91.9 | Very high | 85.5 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 42% | 0.419 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 119.1 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | L818 R819 | L818-C831 WeakPolarHBondContact O-CA 3.49Å; R819-C831 HydrophobicContact CG-CB 4.5Å |
| 832 | Y | 89.7 | Confident | 85.6 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 11% | 0.114 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 168.1 | -178.7 | -41 | -69.6 | 0 | 0 | 0 | 110.8 | R817 L818 I820 R830 L868 L869 T870 G871 | R817-Y832 VanDerWaalsContact CA-O 3.23Å; R817-Y832 WeakPolarHBondContact CA-O 3.24Å; R817-Y832 WeakPolarHBondContact CD-O 3.41Å; L818-Y832 HydrophobicContact CD2-CD2 4.3Å; L818-Y832 PolarHBondContact N-O 2.92Å; L818-Y832 PolarHBondContact O-N 2.87Å; I820-Y832 HydrophobicContact CD1-CE2 4.35Å; I820-Y832 HydrophobicContact CG1-CD2 4.34Å; I820-Y832 HydrophobicContact CG1-CE2 3.73Å; R830-Y832 HydrophobicContact CB-CE1 4.07Å; R830-Y832 HydrophobicContact CB-CE2 4.28Å; R830-Y832 WeakPolarHBondContact CD-OH 3.49Å; Y832-L868 VanDerWaalsContact CE2-O 3.31Å; Y832-L868 WeakPolarHBondContact CE2-O 3.36Å; Y832-L868 PolarHBondContact OH-O 3.45Å; Y832-L869 WeakPolarHBondContact OH-CA 3.46Å; Y832-L869 PolarHBondContact OH-O 3.31Å; Y832-T870 PolarHBondContact OH-N 2.88Å; Y832-G871 VanDerWaalsContact CZ-CA 3.46Å; Y832-G871 PolarHBondContact OH-N 3.38Å |
| 833 | R | 86.8 | Confident | 85.7 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.7 | 168.1 | -160.4 | -168.4 | 175.7 | 133.8 | -6.7 | 107.7 | S835 T837 E838 | R833-S835 VanDerWaalsContact CD-O 3.22Å; R833-S835 WeakPolarHBondContact CD-O 3.24Å; R833-S835 VanDerWaalsContact CG-O 3.24Å; R833-S835 WeakPolarHBondContact CG-O 3.47Å; R833-S835 PolarHBondContact NE-O 2.82Å; R833-T837 PolarHBondContact NH2-O 3.17Å; R833-E838 IonicContact NH2-OE1 3.73Å |
| 834 | G | 80.2 | Confident | 86 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -87.7 | -17.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R816 T856 N864 F866 | R816-G834 PolarHBondContact O-N 2.9Å; G834-T856 PolarHBondContact O-OG1 2.9Å; G834-N864 PolarHBondContact O-ND2 3.38Å; G834-N864 VanDerWaalsContact O-ND2 3.09Å; G834-F866 WeakPolarHBondContact O-CZ 3.13Å |
| 835 | S | 79.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -123.7 | 140.3 | 164.6 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | R833 T837 D860 | R833-S835 VanDerWaalsContact CD-O 3.22Å; R833-S835 WeakPolarHBondContact CD-O 3.24Å; R833-S835 VanDerWaalsContact CG-O 3.24Å; R833-S835 WeakPolarHBondContact CG-O 3.47Å; R833-S835 PolarHBondContact NE-O 2.82Å; S835-T837 PolarHBondContact OG-N 3Å; S835-T837 VanDerWaalsContact OG-N 3.16Å; S835-T837 PolarHBondContact OG-OG1 3.45Å; S835-D860 PolarHBondContact OG-OD2 3.45Å | ||
| 836 | Y | 73.1 | Confident | 86.8 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 49% | 0.486 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -83.6 | -10.5 | 175.7 | -67.7 | -72.8 | 0 | 0 | 0 | 113.4 | F866 S873 | Y836-F866 AromaticContact CE2-CE1 3.96Å; Y836-F866 HydrophobicContact CE2-CE1 3.96Å; Y836-F866 HydrophobicContact CE2-CZ 4.23Å; Y836-S873 VanDerWaalsContact OH-CB 3.25Å; Y836-S873 WeakPolarHBondContact OH-CB 3.34Å |
| 837 | T | 76.4 | Confident | 87 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -74.7 | 165.1 | 170.3 | 75 | 0 | 0 | 0 | 0 | 111.4 | R833 S835 G840 D860 Q862 | R833-T837 PolarHBondContact NH2-O 3.17Å; S835-T837 PolarHBondContact OG-N 3Å; S835-T837 VanDerWaalsContact OG-N 3.16Å; S835-T837 PolarHBondContact OG-OG1 3.45Å; T837-G840 PolarHBondContact OG1-N 3.31Å; T837-D860 WeakPolarHBondContact CB-OD2 3.36Å; T837-D860 HydrophobicContact CG2-CB 3.94Å; T837-D860 WeakPolarHBondContact CG2-OD2 3.31Å; T837-D860 PolarHBondContact OG1-OD2 2.92Å; T837-Q862 VanDerWaalsContact CG2-CD 3.46Å; T837-Q862 HydrophobicContact CG2-CG 4.31Å |
| 838 | E | 73.6 | Confident | 87.1 | Confident | 60 Ų | 60 | 47 Ų | 47 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -90.5 | -26.9 | 173.6 | -52.5 | -129.6 | 95.8 | 0 | 0 | 111.5 | R816 R833 P1196 A1197 | R816-E838 WeakPolarHBondContact CD-O 3.45Å; R816-E838 PolarHBondContact NH1-O 2.84Å; R833-E838 IonicContact NH2-OE1 3.73Å; E838-P1196 WeakPolarHBondContact OE2-CA 3.42Å; E838-P1196 WeakPolarHBondContact OE2-CB 3.31Å; E838-A1197 PolarHBondContact OE2-N 2.91Å |
| 839 | D | 72.3 | Confident | 86.9 | Confident | 149 Ų | 149 | 44.3 Ų | 44.3 | 80% | 0.797 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -97.7 | -17.9 | -169.1 | -41.9 | -72.3 | 0 | 0 | 0 | 113.9 | ||
| 840 | G | 80.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -97 | 120.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | R816 T837 | R816-G840 VanDerWaalsContact CG-O 3.29Å; R816-G840 WeakPolarHBondContact CG-O 3.42Å; T837-G840 PolarHBondContact OG1-N 3.31Å |
| 841 | F | 89.6 | Confident | 86.4 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -87.8 | 161.1 | 169.9 | 61.8 | -101.4 | 0 | 0 | 0 | 112 | L784 Q814 V843 G858 S859 | L784-F841 HydrophobicContact CD1-CD2 3.67Å; L784-F841 HydrophobicContact CD1-CE2 3.65Å; Q814-F841 HydrophobicContact CG-CB 4.5Å; Q814-F841 HydrophobicContact CG-CG 4.49Å; Q814-F841 WeakPolarHBondContact O-CB 3.46Å; F841-V843 HydrophobicContact CD2-CG2 4.26Å; F841-V843 HydrophobicContact CE2-CG2 4.05Å; F841-G858 CarbonylContact O-C 3.52Å; F841-G858 WeakPolarHBondContact O-CA 3.5Å; F841-S859 WeakPolarHBondContact CD1-OG 3.45Å; F841-S859 VanDerWaalsContact CE1-OG 3.28Å; F841-S859 WeakPolarHBondContact CE1-OG 3.49Å; F841-S859 WeakPolarHBondContact CG-OG 3.17Å; F841-S859 PolarHBondContact N-OG 3.38Å; F841-S859 PolarHBondContact O-N 3.44Å; F841-S859 PolarHBondContact O-OG 2.95Å |
| 842 | L | 93.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 138.7 | -178.4 | -57.9 | -176.7 | 0 | 0 | 0 | 112 | L784 A812 R817 L818 S857 | L784-L842 WeakPolarHBondContact CD1-O 3.38Å; A812-L842 HydrophobicContact CB-CB 3.83Å; A812-L842 HydrophobicContact CB-CD1 4.37Å; R817-L842 WeakPolarHBondContact O-CD1 3.29Å; L818-L842 HydrophobicContact CB-CD1 4.12Å; L842-S857 WeakPolarHBondContact CA-O 3.35Å |
| 843 | V | 93.1 | Very high | 86.4 | Confident | 18 Ų | 18 | 31.8 Ų | 31.8 | 11% | 0.109 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -46 | -172.4 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | F841 S857 M883 | F841-V843 HydrophobicContact CD2-CG2 4.26Å; F841-V843 HydrophobicContact CE2-CG2 4.05Å; V843-S857 PolarHBondContact N-O 2.96Å; V843-M883 HydrophobicContact CG1-CE 4.06Å; V843-M883 HydrophobicContact CG2-CE 3.62Å |
| 844 | R | 95.7 | Very high | 86.8 | Confident | 43 Ų | 43 | 28.2 Ų | 28.2 | 16% | 0.162 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 158.5 | 173.8 | -68.4 | -63.3 | -165 | -174.2 | 3.5 | 111.8 | D785 T856 S857 L885 L887 | D785-R844 IonicContact OD1-NH1 3.61Å; D785-R844 WeakPolarHBondContact OD2-CA 3.35Å; D785-R844 WeakPolarHBondContact OD2-CD 3.47Å; R844-T856 CarbonylContact O-C 3.52Å; R844-T856 VanDerWaalsContact O-CA 3.28Å; R844-T856 WeakPolarHBondContact O-CA 3.41Å; R844-S857 WeakPolarHBondContact CB-OG 3.35Å; R844-S857 PolarHBondContact N-OG 3.47Å; R844-S857 VanDerWaalsContact N-OG 3.1Å; R844-S857 PolarHBondContact O-N 2.81Å; R844-L885 VanDerWaalsContact CG-O 3.3Å; R844-L885 WeakPolarHBondContact CG-O 3.2Å; R844-L885 PolarHBondContact NE-O 2.91Å; R844-L887 HydrophobicContact CB-CB 4.42Å |
| 845 | C | 96 | Very high | 87.6 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 144 | 169.4 | 59 | 0 | 0 | 0 | 0 | 112.1 | D785 A812 I854 A855 T856 | D785-C845 PolarHBondContact OD2-N 2.93Å; A812-C845 HydrophobicContact CB-CB 4.22Å; C845-I854 HydrophobicContact CB-CD1 4.22Å; C845-A855 CarbonylContact C-O 3.51Å; C845-A855 WeakPolarHBondContact CA-O 3.29Å; C845-T856 HydrophobicContact CB-CG2 4.04Å |
| 846 | S | 95.8 | Very high | 88.3 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 123.8 | -175.9 | -154.1 | 0 | 0 | 0 | 0 | 110.1 | I854 A855 L887 F889 | S846-I854 CarbonylContact O-C 3.48Å; S846-I854 WeakPolarHBondContact O-CA 3.35Å; S846-A855 PolarHBondContact N-O 2.73Å; S846-A855 PolarHBondContact O-N 3.2Å; S846-L887 WeakPolarHBondContact CB-O 3.33Å; S846-L887 PolarHBondContact OG-O 2.61Å; S846-F889 WeakPolarHBondContact O-CE2 3.42Å |
| 847 | I | 94.4 | Very high | 89.4 | Confident | 23 Ų | 23 | 22.3 Ų | 22.3 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 142.9 | 177.9 | -67 | 171.3 | 0 | 0 | 0 | 108.7 | A787 T789 A810 I854 L868 | A787-I847 HydrophobicContact CB-CB 4.49Å; A787-I847 HydrophobicContact CB-CD1 3.88Å; A787-I847 HydrophobicContact CB-CG1 3.84Å; T789-I847 HydrophobicContact CG2-CD1 4.31Å; A810-I847 HydrophobicContact CB-CD1 3.97Å; I847-I854 HydrophobicContact CD1-CD1 4.25Å; I847-I854 HydrophobicContact CG1-CB 4.17Å; I847-I854 HydrophobicContact CG1-CD1 3.7Å; I847-I854 HydrophobicContact CG1-CG1 3.92Å; I847-L868 HydrophobicContact CD1-CD1 4.25Å; I847-L868 HydrophobicContact CD1-CD2 4.33Å; I847-L868 HydrophobicContact CG1-CD1 4.45Å |
| 848 | D | 92 | Very high | 90.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | trans | -73 | 157.8 | 177.8 | 90.5 | -82.4 | 0 | 0 | 0 | 112.1 | T850 G851 S852 L853 F889 | D848-T850 PolarHBondContact O-N 2.81Å; D848-T850 PolarHBondContact OD1-OG1 3.26Å; D848-T850 WeakPolarHBondContact OD2-CA 3.29Å; D848-T850 VanDerWaalsContact OD2-CB 3.24Å; D848-T850 WeakPolarHBondContact OD2-CB 3.33Å; D848-T850 WeakPolarHBondContact OD2-CG2 3.32Å; D848-T850 PolarHBondContact OD2-N 2.69Å; D848-T850 PolarHBondContact OD2-OG1 3.14Å; D848-G851 PolarHBondContact O-N 3.36Å; D848-S852 WeakPolarHBondContact OD1-CA 3.24Å; D848-S852 PolarHBondContact OD1-N 2.83Å; D848-L853 HydrophobicContact CB-CB 4.37Å; D848-L853 PolarHBondContact N-O 2.72Å; D848-L853 PolarHBondContact OD1-N 3.3Å; D848-F889 HydrophobicContact CB-CB 4.36Å; D848-F889 HydrophobicContact CB-CD1 4.27Å; D848-F889 HydrophobicContact CB-CD2 3.79Å; D848-F889 HydrophobicContact CB-CE2 4.06Å; D848-F889 HydrophobicContact CB-CG 3.9Å; D848-F889 HydrophobicContact CB-CZ 4.41Å | ||
| 849 | P | 86.6 | Confident | 90.9 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 23% | 0.234 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.1 | -178.6 | -24.8 | 32.7 | 0 | 0 | 0 | 116.2 | P790 L893 | P790-P849 VanDerWaalsContact CG-O 3.28Å; P790-P849 WeakPolarHBondContact CG-O 3.47Å; P849-L893 HydrophobicContact CB-CD2 3.93Å; P849-L893 HydrophobicContact CG-CD2 3.74Å |
| 850 | T | 84.7 | Confident | 91.7 | Very high | 13 Ų | 13 | 14 Ų | 14 | 8% | 0.08 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -4.8 | 177.5 | 77 | 0 | 0 | 0 | 0 | 114.3 | D848 S852 L893 L918 I922 | D848-T850 PolarHBondContact O-N 2.81Å; D848-T850 PolarHBondContact OD1-OG1 3.26Å; D848-T850 WeakPolarHBondContact OD2-CA 3.29Å; D848-T850 VanDerWaalsContact OD2-CB 3.24Å; D848-T850 WeakPolarHBondContact OD2-CB 3.33Å; D848-T850 WeakPolarHBondContact OD2-CG2 3.32Å; D848-T850 PolarHBondContact OD2-N 2.69Å; D848-T850 PolarHBondContact OD2-OG1 3.14Å; T850-S852 VanDerWaalsContact C-N 3.33Å; T850-S852 PolarHBondContact O-N 3.34Å; T850-S852 PolarHBondContact O-OG 2.61Å; T850-S852 VanDerWaalsContact OG1-CB 3.27Å; T850-S852 WeakPolarHBondContact OG1-CB 3.2Å; T850-S852 PolarHBondContact OG1-OG 2.88Å; T850-L893 HydrophobicContact CG2-CD1 3.74Å; T850-L893 HydrophobicContact CG2-CD2 3.99Å; T850-L918 HydrophobicContact CG2-CB 4.25Å; T850-L918 WeakPolarHBondContact CG2-O 3.48Å; T850-I922 HydrophobicContact CG2-CB 3.88Å; T850-I922 HydrophobicContact CG2-CD1 4.16Å; T850-I922 HydrophobicContact CG2-CG1 3.98Å |
| 851 | G | 88 | Confident | 92.1 | Very high | 13 Ų | 13 | 17.1 Ų | 17.1 | 13% | 0.134 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 68.3 | 26.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D848 | D848-G851 PolarHBondContact O-N 3.36Š|
| 852 | S | 89.3 | Confident | 92.1 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -107.5 | -35.9 | -169.9 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | D848 T850 H867 L868 R921 | D848-S852 WeakPolarHBondContact OD1-CA 3.24Å; D848-S852 PolarHBondContact OD1-N 2.83Å; T850-S852 VanDerWaalsContact C-N 3.33Å; T850-S852 PolarHBondContact O-N 3.34Å; T850-S852 PolarHBondContact O-OG 2.61Å; T850-S852 VanDerWaalsContact OG1-CB 3.27Å; T850-S852 WeakPolarHBondContact OG1-CB 3.2Å; T850-S852 PolarHBondContact OG1-OG 2.88Å; S852-H867 PolarHBondContact O-ND1 2.73Å; S852-L868 PolarHBondContact O-N 2.95Å; S852-L868 VanDerWaalsContact O-N 3.07Å; S852-R921 VanDerWaalsContact OG-CZ 3.23Å; S852-R921 PolarHBondContact OG-NE 3.1Å; S852-R921 PolarHBondContact OG-NH2 2.87Å; S852-R921 VanDerWaalsContact OG-NH2 3.07Å |
| 853 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 158.1 | 179.6 | -44.8 | -167.7 | 0 | 0 | 0 | 110.4 | D848 I865 F866 H867 I874 F889 L914 L918 | D848-L853 HydrophobicContact CB-CB 4.37Å; D848-L853 PolarHBondContact N-O 2.72Å; D848-L853 PolarHBondContact OD1-N 3.3Å; L853-I865 HydrophobicContact CB-CG2 4.28Å; L853-I865 HydrophobicContact CD1-CG2 4.22Å; L853-F866 CarbonylContact C-O 3.31Å; L853-F866 VanDerWaalsContact CA-O 3.27Å; L853-F866 WeakPolarHBondContact CA-O 3.47Å; L853-H867 VanDerWaalsContact CD2-CE1 3.46Å; L853-H867 WeakPolarHBondContact CD2-CE1 3.48Å; L853-H867 WeakPolarHBondContact CD2-ND1 3.5Å; L853-I874 HydrophobicContact CD1-CD1 4.09Å; L853-I874 HydrophobicContact CD2-CD1 3.44Å; L853-I874 VanDerWaalsContact CD2-CD1 3.44Å; L853-I874 HydrophobicContact CG-CD1 4.3Å; L853-F889 HydrophobicContact CB-CZ 4.35Å; L853-L914 HydrophobicContact CD1-CD1 4.17Å; L853-L914 HydrophobicContact CD1-CD2 4.17Å; L853-L914 HydrophobicContact CD1-CG 4.33Å; L853-L918 HydrophobicContact CD1-CD1 3.93Å; L853-L918 HydrophobicContact CD1-CD2 4.17Å; L853-L918 HydrophobicContact CD2-CD2 4.18Å; L853-L918 HydrophobicContact CG-CD1 4.36Å; L853-L918 HydrophobicContact CG-CD2 3.82Å |
| 854 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.1 | 168 | -174.3 | 163.4 | 0 | 0 | 0 | 109.8 | A810 L818 C845 S846 I847 T856 I865 F866 L868 | A810-I854 HydrophobicContact CB-CD1 3.31Å; L818-I854 HydrophobicContact CD1-CD1 3.95Å; L818-I854 HydrophobicContact CD2-CD1 4.12Å; L818-I854 HydrophobicContact CD2-CG2 3.83Å; C845-I854 HydrophobicContact CB-CD1 4.22Å; S846-I854 CarbonylContact O-C 3.48Å; S846-I854 WeakPolarHBondContact O-CA 3.35Å; I847-I854 HydrophobicContact CD1-CD1 4.25Å; I847-I854 HydrophobicContact CG1-CB 4.17Å; I847-I854 HydrophobicContact CG1-CD1 3.7Å; I847-I854 HydrophobicContact CG1-CG1 3.92Å; I854-T856 HydrophobicContact CG1-CG2 4.42Å; I854-I865 WeakPolarHBondContact O-CA 3.5Å; I854-F866 HydrophobicContact CG2-CB 4.07Å; I854-F866 PolarHBondContact N-O 2.83Å; I854-F866 PolarHBondContact O-N 3.12Å; I854-L868 HydrophobicContact CB-CD1 4.04Å; I854-L868 HydrophobicContact CD1-CD1 4.02Å; I854-L868 HydrophobicContact CG2-CB 4.46Å; I854-L868 HydrophobicContact CG2-CD1 3.93Å |
| 855 | A | 96.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | C845 S846 N864 I865 L887 F889 L896 | C845-A855 CarbonylContact C-O 3.51Å; C845-A855 WeakPolarHBondContact CA-O 3.29Å; S846-A855 PolarHBondContact N-O 2.73Å; S846-A855 PolarHBondContact O-N 3.2Å; A855-N864 CarbonylContact C-O 3.47Å; A855-N864 VanDerWaalsContact CA-O 3.28Å; A855-N864 WeakPolarHBondContact CA-O 3.2Å; A855-I865 HydrophobicContact CB-CG1 4.12Å; A855-L887 HydrophobicContact CB-CD2 3.78Å; A855-L887 HydrophobicContact CB-CG 4.24Å; A855-F889 HydrophobicContact CB-CE2 3.7Å; A855-F889 HydrophobicContact CB-CZ 3.83Å; A855-L896 HydrophobicContact CB-CD1 3.97Å; A855-L896 HydrophobicContact CB-CD2 3.73Å |
| 856 | T | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.6 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | L818 G834 R844 C845 I854 L863 N864 | L818-T856 HydrophobicContact CD1-CG2 4.11Å; L818-T856 HydrophobicContact CD2-CG2 4.16Å; G834-T856 PolarHBondContact O-OG1 2.9Å; R844-T856 CarbonylContact O-C 3.52Å; R844-T856 VanDerWaalsContact O-CA 3.28Å; R844-T856 WeakPolarHBondContact O-CA 3.41Å; C845-T856 HydrophobicContact CB-CG2 4.04Å; I854-T856 HydrophobicContact CG1-CG2 4.42Å; T856-L863 CarbonylContact O-C 3.52Å; T856-L863 WeakPolarHBondContact O-CA 3.46Å; T856-N864 PolarHBondContact N-O 3.05Å; T856-N864 PolarHBondContact O-N 2.9Å |
| 857 | S | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 151.1 | 168.9 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | L842 V843 R844 C884 | L842-S857 WeakPolarHBondContact CA-O 3.35Å; V843-S857 PolarHBondContact N-O 2.96Å; R844-S857 WeakPolarHBondContact CB-OG 3.35Å; R844-S857 PolarHBondContact N-OG 3.47Å; R844-S857 VanDerWaalsContact N-OG 3.1Å; R844-S857 PolarHBondContact O-N 2.81Å; S857-C884 PolarHBondContact OG-O 3.43Å; S857-C884 VanDerWaalsContact OG-O 3.05Å |
| 858 | G | 91.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 159.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | F841 D860 K861 Q862 | F841-G858 CarbonylContact O-C 3.52Å; F841-G858 WeakPolarHBondContact O-CA 3.5Å; G858-D860 WeakPolarHBondContact CA-OD1 3.46Å; G858-D860 PolarHBondContact O-N 3.45Å; G858-K861 PolarHBondContact O-N 2.84Å; G858-Q862 PolarHBondContact N-O 3.05Å |
| 859 | S | 91.4 | Very high | 91.4 | Very high | 25 Ų | 25 | 15 Ų | 15 | 18% | 0.175 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14 | 173.5 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | F841 K861 | F841-S859 WeakPolarHBondContact CD1-OG 3.45Å; F841-S859 VanDerWaalsContact CE1-OG 3.28Å; F841-S859 WeakPolarHBondContact CE1-OG 3.49Å; F841-S859 WeakPolarHBondContact CG-OG 3.17Å; F841-S859 PolarHBondContact N-OG 3.38Å; F841-S859 PolarHBondContact O-N 3.44Å; F841-S859 PolarHBondContact O-OG 2.95Å; S859-K861 PolarHBondContact O-N 3.35Å |
| 860 | D | 87.5 | Confident | 91.5 | Very high | 25 Ų | 25 | 16.9 Ų | 16.9 | 13% | 0.134 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 4 | 162.7 | 56.7 | 13.3 | 0 | 0 | 0 | 114.2 | R74 S835 T837 G858 Q862 | R74-D860 PolarHBondContact NH1-O 3.43Å; S835-D860 PolarHBondContact OG-OD2 3.45Å; T837-D860 WeakPolarHBondContact CB-OD2 3.36Å; T837-D860 HydrophobicContact CG2-CB 3.94Å; T837-D860 WeakPolarHBondContact CG2-OD2 3.31Å; T837-D860 PolarHBondContact OG1-OD2 2.92Å; G858-D860 WeakPolarHBondContact CA-OD1 3.46Å; G858-D860 PolarHBondContact O-N 3.45Å; D860-Q862 HydrophobicContact CB-CG 4.27Å; D860-Q862 PolarHBondContact O-N 3.16Å; D860-Q862 WeakPolarHBondContact OD1-CB 3.42Å; D860-Q862 PolarHBondContact OD1-N 3.49Å |
| 861 | K | 89.7 | Confident | 91.6 | Very high | 66 Ų | 66 | 17 Ų | 17 | 29% | 0.287 | 10% | 0.098 | S | C | . | . | S | Bend | trans | 67.1 | 18 | 176.8 | -47.6 | 173 | 176.5 | -171.2 | 0 | 112.7 | G858 S859 S881 E882 | G858-K861 PolarHBondContact O-N 2.84Å; S859-K861 PolarHBondContact O-N 3.35Å; K861-S881 VanDerWaalsContact CD-O 3.23Å; K861-S881 WeakPolarHBondContact CD-O 3.42Å; K861-S881 WeakPolarHBondContact CE-O 3.36Å; K861-S881 PolarHBondContact NZ-O 3.39Å; K861-E882 WeakPolarHBondContact CE-OE2 3.5Å; K861-E882 IonicContact NZ-OE1 2.75Å; K861-E882 PolarHBondContact NZ-OE1 3.29Å; K861-E882 IonicContact NZ-OE2 3.8Å; K861-E882 PolarHBondContact NZ-OE2 3.18Å |
| 862 | Q | 89.7 | Confident | 91.7 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 151.6 | 172 | -54.8 | -164 | -15.5 | 0 | 0 | 111.4 | T837 G858 D860 Y878 | T837-Q862 VanDerWaalsContact CG2-CD 3.46Å; T837-Q862 HydrophobicContact CG2-CG 4.31Å; G858-Q862 PolarHBondContact N-O 3.05Å; D860-Q862 HydrophobicContact CB-CG 4.27Å; D860-Q862 PolarHBondContact O-N 3.16Å; D860-Q862 WeakPolarHBondContact OD1-CB 3.42Å; D860-Q862 PolarHBondContact OD1-N 3.49Å; Q862-Y878 HydrophobicContact CB-CD1 4.27Å; Q862-Y878 HydrophobicContact CB-CE1 4.07Å; Q862-Y878 VanDerWaalsContact CD-CE1 3.48Å; Q862-Y878 HydrophobicContact CG-CD1 3.93Å; Q862-Y878 HydrophobicContact CG-CE1 3.58Å |
| 863 | L | 93.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.1 | 159.9 | -49.3 | 174.9 | 0 | 0 | 0 | 108.6 | T856 T876 L877 C884 L887 W908 | T856-L863 CarbonylContact O-C 3.52Å; T856-L863 WeakPolarHBondContact O-CA 3.46Å; L863-T876 CarbonylContact O-C 3.54Å; L863-T876 WeakPolarHBondContact O-CA 3.45Å; L863-L877 HydrophobicContact CB-CB 4.1Å; L863-L877 HydrophobicContact CB-CD1 4.32Å; L863-L877 HydrophobicContact CB-CG 4.41Å; L863-L877 HydrophobicContact CD1-CD1 4.41Å; L863-L877 PolarHBondContact N-O 3.38Å; L863-L877 PolarHBondContact O-N 3.06Å; L863-C884 HydrophobicContact CD2-CB 3.82Å; L863-L887 HydrophobicContact CD2-CD1 4.4Å; L863-W908 HydrophobicContact CD1-CZ2 4.08Å |
| 864 | N | 93.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145 | 172.9 | -68.3 | -74.3 | 0 | 0 | 0 | 109.5 | G834 A855 T856 F866 T876 | G834-N864 PolarHBondContact O-ND2 3.38Å; G834-N864 VanDerWaalsContact O-ND2 3.09Å; A855-N864 CarbonylContact C-O 3.47Å; A855-N864 VanDerWaalsContact CA-O 3.28Å; A855-N864 WeakPolarHBondContact CA-O 3.2Å; T856-N864 PolarHBondContact N-O 3.05Å; T856-N864 PolarHBondContact O-N 2.9Å; N864-F866 HydrophobicContact CB-CD2 4.29Å; N864-F866 HydrophobicContact CB-CE2 3.4Å; N864-F866 VanDerWaalsContact CB-CE2 3.4Å; N864-F866 HydrophobicContact CB-CZ 3.57Å; N864-T876 WeakPolarHBondContact OD1-CB 3.27Å; N864-T876 WeakPolarHBondContact OD1-CG2 3.41Å; N864-T876 PolarHBondContact OD1-OG1 3.48Å |
| 865 | I | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.9 | 170.2 | -52.9 | -172.1 | 0 | 0 | 0 | 108.8 | V23 L853 I854 A855 S873 I874 A875 L877 F889 L896 L910 | V23-I865 HydrophobicContact CG2-CD1 4.1Å; L853-I865 HydrophobicContact CB-CG2 4.28Å; L853-I865 HydrophobicContact CD1-CG2 4.22Å; I854-I865 WeakPolarHBondContact O-CA 3.5Å; A855-I865 HydrophobicContact CB-CG1 4.12Å; I865-S873 WeakPolarHBondContact O-CA 3.36Å; I865-I874 HydrophobicContact CB-CB 4.46Å; I865-I874 HydrophobicContact CG2-CB 4.36Å; I865-I874 HydrophobicContact CG2-CD1 4.26Å; I865-I874 PolarHBondContact O-N 2.94Å; I865-A875 PolarHBondContact N-O 3.18Å; I865-A875 PolarHBondContact O-N 3.18Å; I865-L877 HydrophobicContact CD1-CD1 4.31Å; I865-L877 HydrophobicContact CG1-CD1 4.49Å; I865-F889 HydrophobicContact CD1-CZ 4.41Å; I865-F889 HydrophobicContact CG2-CZ 4.41Å; I865-L896 HydrophobicContact CD1-CD2 3.6Å; I865-L896 HydrophobicContact CG1-CD2 4.13Å; I865-L910 HydrophobicContact CD1-CD2 4.34Å |
| 866 | F | 92.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 156.4 | 179.6 | -53.6 | -90.3 | 0 | 0 | 0 | 111.5 | G834 Y836 L853 I854 N864 E872 | G834-F866 WeakPolarHBondContact O-CZ 3.13Å; Y836-F866 AromaticContact CE2-CE1 3.96Å; Y836-F866 HydrophobicContact CE2-CE1 3.96Å; Y836-F866 HydrophobicContact CE2-CZ 4.23Å; L853-F866 CarbonylContact C-O 3.31Å; L853-F866 VanDerWaalsContact CA-O 3.27Å; L853-F866 WeakPolarHBondContact CA-O 3.47Å; I854-F866 HydrophobicContact CG2-CB 4.07Å; I854-F866 PolarHBondContact N-O 2.83Å; I854-F866 PolarHBondContact O-N 3.12Å; N864-F866 HydrophobicContact CB-CD2 4.29Å; N864-F866 HydrophobicContact CB-CE2 3.4Å; N864-F866 VanDerWaalsContact CB-CE2 3.4Å; N864-F866 HydrophobicContact CB-CZ 3.57Å; F866-E872 CarbonylContact C-O 3.6Å; F866-E872 VanDerWaalsContact CA-O 3.25Å; F866-E872 WeakPolarHBondContact CA-O 3.47Å |
| 867 | H | 91.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 25.5 Ų | 25.5 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125.3 | 157.2 | -86.1 | -50.1 | 0 | 0 | 0 | 110.2 | S852 L853 L869 T870 G871 E872 Y917 | S852-H867 PolarHBondContact O-ND1 2.73Å; L853-H867 VanDerWaalsContact CD2-CE1 3.46Å; L853-H867 WeakPolarHBondContact CD2-CE1 3.48Å; L853-H867 WeakPolarHBondContact CD2-ND1 3.5Å; H867-L869 PolarHBondContact O-N 3.38Å; H867-T870 WeakPolarHBondContact CB-OG1 3.2Å; H867-T870 PolarHBondContact O-N 3.19Å; H867-G871 WeakPolarHBondContact O-CA 3.37Å; H867-G871 PolarHBondContact O-N 3.04Å; H867-E872 PolarHBondContact N-O 3.18Å; H867-Y917 AromaticContact CE1-CE1 3.73Å |
| 868 | L | 90.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -42.2 | -170.2 | -178.6 | 66.7 | 0 | 0 | 0 | 113.5 | T789 A810 I820 Y832 I847 S852 I854 | T789-L868 HydrophobicContact CG2-CD2 3.47Å; T789-L868 VanDerWaalsContact CG2-CD2 3.47Å; A810-L868 HydrophobicContact CB-CD1 4.27Å; I820-L868 HydrophobicContact CD1-CD1 3.67Å; Y832-L868 VanDerWaalsContact CE2-O 3.31Å; Y832-L868 WeakPolarHBondContact CE2-O 3.36Å; Y832-L868 PolarHBondContact OH-O 3.45Å; I847-L868 HydrophobicContact CD1-CD1 4.25Å; I847-L868 HydrophobicContact CD1-CD2 4.33Å; I847-L868 HydrophobicContact CG1-CD1 4.45Å; S852-L868 PolarHBondContact O-N 2.95Å; S852-L868 VanDerWaalsContact O-N 3.07Å; I854-L868 HydrophobicContact CB-CD1 4.04Å; I854-L868 HydrophobicContact CD1-CD1 4.02Å; I854-L868 HydrophobicContact CG2-CB 4.46Å; I854-L868 HydrophobicContact CG2-CD1 3.93Å |
| 869 | L | 88.5 | Confident | 90.6 | Very high | 67 Ų | 67 | 29.2 Ų | 29.2 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -6.6 | -171.6 | -61.3 | -179.2 | 0 | 0 | 0 | 115.3 | Y808 R830 Y832 H867 | Y808-L869 HydrophobicContact CD2-CD1 4.46Å; Y808-L869 HydrophobicContact CD2-CD2 3.76Å; Y808-L869 HydrophobicContact CE2-CD1 3.8Å; Y808-L869 HydrophobicContact CE2-CD2 3.67Å; Y808-L869 HydrophobicContact CE2-CG 4.33Å; Y808-L869 HydrophobicContact CG-CD2 4.32Å; R830-L869 WeakPolarHBondContact CD-O 3.29Å; R830-L869 PolarHBondContact NE-O 3.36Å; Y832-L869 WeakPolarHBondContact OH-CA 3.46Å; Y832-L869 PolarHBondContact OH-O 3.31Å; H867-L869 PolarHBondContact O-N 3.38Å |
| 870 | T | 89.4 | Confident | 90.7 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 47% | 0.466 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -28.2 | 171.8 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | Y832 H867 E872 | Y832-T870 PolarHBondContact OH-N 2.88Å; H867-T870 WeakPolarHBondContact CB-OG1 3.2Å; H867-T870 PolarHBondContact O-N 3.19Å; T870-E872 WeakPolarHBondContact CB-OE2 3.48Å; T870-E872 WeakPolarHBondContact CG2-OE2 3.47Å; T870-E872 PolarHBondContact O-N 3.16Å; T870-E872 WeakPolarHBondContact OG1-CB 3.25Å; T870-E872 WeakPolarHBondContact OG1-CG 3.48Å; T870-E872 PolarHBondContact OG1-N 3.09Å; T870-E872 PolarHBondContact OG1-OE2 2.93Å |
| 871 | G | 87.3 | Confident | 90.9 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | trans | 76.3 | 8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y832 H867 S873 | Y832-G871 VanDerWaalsContact CZ-CA 3.46Å; Y832-G871 PolarHBondContact OH-N 3.38Å; H867-G871 WeakPolarHBondContact O-CA 3.37Å; H867-G871 PolarHBondContact O-N 3.04Å; G871-S873 PolarHBondContact O-N 3.39Å | ||
| 872 | E | 89.5 | Confident | 91 | Very high | 120 Ų | 120 | 27 Ų | 27 | 56% | 0.561 | 14% | 0.143 | S | C | * | . | trans | -70.5 | 125.8 | 176.6 | -66.9 | 165 | 129.5 | 0 | 0 | 109.6 | F866 H867 T870 | F866-E872 CarbonylContact C-O 3.6Å; F866-E872 VanDerWaalsContact CA-O 3.25Å; F866-E872 WeakPolarHBondContact CA-O 3.47Å; H867-E872 PolarHBondContact N-O 3.18Å; T870-E872 WeakPolarHBondContact CB-OE2 3.48Å; T870-E872 WeakPolarHBondContact CG2-OE2 3.47Å; T870-E872 PolarHBondContact O-N 3.16Å; T870-E872 WeakPolarHBondContact OG1-CB 3.25Å; T870-E872 WeakPolarHBondContact OG1-CG 3.48Å; T870-E872 PolarHBondContact OG1-N 3.09Å; T870-E872 PolarHBondContact OG1-OE2 2.93Å | ||
| 873 | S | 88.7 | Confident | 91.1 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 28% | 0.28 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.1 | 174 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | Y836 I865 G871 | Y836-S873 VanDerWaalsContact OH-CB 3.25Å; Y836-S873 WeakPolarHBondContact OH-CB 3.34Å; I865-S873 WeakPolarHBondContact O-CA 3.36Å; G871-S873 PolarHBondContact O-N 3.39Å |
| 874 | I | 91.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -47.5 | 175.6 | -71.4 | 165.7 | 0 | 0 | 0 | 109.3 | P19 Q22 L853 I865 L914 | P19-I874 CarbonylContact C-O 3.59Å; P19-I874 WeakPolarHBondContact CA-O 3.45Å; P19-I874 VanDerWaalsContact CB-O 3.28Å; P19-I874 WeakPolarHBondContact CB-O 3.14Å; Q22-I874 HydrophobicContact CB-CG2 3.95Å; L853-I874 HydrophobicContact CD1-CD1 4.09Å; L853-I874 HydrophobicContact CD2-CD1 3.44Å; L853-I874 VanDerWaalsContact CD2-CD1 3.44Å; L853-I874 HydrophobicContact CG-CD1 4.3Å; I865-I874 HydrophobicContact CB-CB 4.46Å; I865-I874 HydrophobicContact CG2-CB 4.36Å; I865-I874 HydrophobicContact CG2-CD1 4.26Å; I865-I874 PolarHBondContact O-N 2.94Å; I874-L914 HydrophobicContact CG2-CD2 3.96Å |
| 875 | A | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 152.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V23 I865 L877 | V23-A875 HydrophobicContact CB-CB 4.17Å; V23-A875 HydrophobicContact CG2-CB 3.85Å; I865-A875 PolarHBondContact N-O 3.18Å; I865-A875 PolarHBondContact O-N 3.18Å; A875-L877 HydrophobicContact CB-CD2 3.85Å |
| 876 | T | 90.6 | Very high | 91.4 | Very high | 22 Ų | 22 | 30 Ų | 30 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130 | 166.8 | -58.7 | 0 | 0 | 0 | 0 | 108.2 | L863 N864 Y878 | L863-T876 CarbonylContact O-C 3.54Å; L863-T876 WeakPolarHBondContact O-CA 3.45Å; N864-T876 WeakPolarHBondContact OD1-CB 3.27Å; N864-T876 WeakPolarHBondContact OD1-CG2 3.41Å; N864-T876 PolarHBondContact OD1-OG1 3.48Å; T876-Y878 HydrophobicContact CG2-CD1 4.38Å; T876-Y878 HydrophobicContact CG2-CE1 3.42Å; T876-Y878 VanDerWaalsContact CG2-CE1 3.42Å; T876-Y878 WeakPolarHBondContact CG2-OH 3.34Å |
| 877 | L | 92 | Very high | 91.6 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.2 | -170.4 | -33.8 | 170.2 | 0 | 0 | 0 | 110.3 | V23 L863 I865 A875 L896 W908 | V23-L877 HydrophobicContact CB-CD2 3.9Å; V23-L877 HydrophobicContact CG1-CD1 4.05Å; V23-L877 HydrophobicContact CG1-CD2 3.79Å; L863-L877 HydrophobicContact CB-CB 4.1Å; L863-L877 HydrophobicContact CB-CD1 4.32Å; L863-L877 HydrophobicContact CB-CG 4.41Å; L863-L877 HydrophobicContact CD1-CD1 4.41Å; L863-L877 PolarHBondContact N-O 3.38Å; L863-L877 PolarHBondContact O-N 3.06Å; I865-L877 HydrophobicContact CD1-CD1 4.31Å; I865-L877 HydrophobicContact CG1-CD1 4.49Å; A875-L877 HydrophobicContact CB-CD2 3.85Å; L877-L896 HydrophobicContact CD1-CD2 4.43Å; L877-W908 HydrophobicContact CB-CD2 4.44Å; L877-W908 HydrophobicContact CB-CE3 4.15Å; L877-W908 HydrophobicContact CB-CH2 3.82Å; L877-W908 HydrophobicContact CB-CZ2 4.11Å; L877-W908 HydrophobicContact CB-CZ3 3.83Å; L877-W908 HydrophobicContact CD1-CB 4.47Å; L877-W908 HydrophobicContact CD1-CD2 3.75Å; L877-W908 HydrophobicContact CD1-CE3 3.91Å; L877-W908 HydrophobicContact CD1-CG 3.99Å; L877-W908 HydrophobicContact CD1-CZ3 4.45Å; L877-W908 HydrophobicContact CD2-CE3 4.35Å; L877-W908 HydrophobicContact CG-CE3 4.36Å; L877-W908 HydrophobicContact CG-CZ3 4.49Å |
| 878 | Y | 89.6 | Confident | 91.8 | Very high | 77 Ų | 77 | 31.3 Ų | 31.3 | 30% | 0.302 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.3 | 179.8 | -47.4 | -51 | 0 | 0 | 0 | 110 | Q70 R74 Q862 T876 W908 | Q70-Y878 PolarHBondContact NE2-O 3.09Å; R74-Y878 HydrophobicContact CG-CD1 4.22Å; R74-Y878 HydrophobicContact CG-CD2 4.17Å; R74-Y878 HydrophobicContact CG-CG 3.89Å; Q862-Y878 HydrophobicContact CB-CD1 4.27Å; Q862-Y878 HydrophobicContact CB-CE1 4.07Å; Q862-Y878 VanDerWaalsContact CD-CE1 3.48Å; Q862-Y878 HydrophobicContact CG-CD1 3.93Å; Q862-Y878 HydrophobicContact CG-CE1 3.58Å; T876-Y878 HydrophobicContact CG2-CD1 4.38Å; T876-Y878 HydrophobicContact CG2-CE1 3.42Å; T876-Y878 VanDerWaalsContact CG2-CE1 3.42Å; T876-Y878 WeakPolarHBondContact CG2-OH 3.34Å; Y878-W908 WeakPolarHBondContact O-CH2 3.31Å |
| 879 | G | 91.3 | Very high | 92 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | trans | -176.4 | -49.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C54 F906 | C54-G879 PolarHBondContact N-O 3.43Å; C54-G879 VanDerWaalsContact SG-C 3.52Å; C54-G879 VanDerWaalsContact SG-CA 3.56Å; C54-G879 PolarHBondContact SG-O 2.66Å; G879-F906 VanDerWaalsContact CA-CE2 3.49Å | ||
| 880 | H | 93.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | trans | -63.2 | 139.5 | 175.8 | -62.3 | -67.3 | 0 | 0 | 0 | 111.8 | E882 S898 S900 D902 C904 F906 | H880-E882 WeakPolarHBondContact CB-O 3.21Å; H880-S898 PolarHBondContact NE2-OG 3.03Å; H880-S900 VanDerWaalsContact CE1-CB 3.47Å; H880-S900 WeakPolarHBondContact CE1-CB 3.34Å; H880-S900 WeakPolarHBondContact ND1-CB 3.21Å; H880-S900 PolarHBondContact ND1-OG 2.82Å; H880-D902 IonicContact CG-OD1 3.81Å; H880-D902 IonicContact ND1-OD1 3.18Å; H880-D902 PolarHBondContact ND1-OD1 3.42Å; H880-D902 VanDerWaalsContact ND1-OD1 3.17Å; H880-C904 PolarHBondContact CE1-O 3.17Å; H880-F906 AromaticContact CE1-CD1 3.33Å; H880-F906 WeakPolarHBondContact CE1-CD1 3.4Å; H880-F906 AromaticContact CE1-CE1 3.97Å; H880-F906 AromaticContact CE1-CG 3.8Å; H880-F906 AromaticContact ND1-CD1 3.71Å; H880-F906 AromaticContact ND1-CE1 3.87Å; H880-F906 AromaticContact NE2-CD1 3.99Å; H880-F906 AromaticContact NE2-CG 3.99Å | ||
| 881 | S | 90.8 | Very high | 92.1 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -85.4 | -12.2 | 170.4 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | G53 K861 D902 | G53-S881 VanDerWaalsContact CA-CB 3.47Å; G53-S881 WeakPolarHBondContact CA-OG 3.21Å; K861-S881 VanDerWaalsContact CD-O 3.23Å; K861-S881 WeakPolarHBondContact CD-O 3.42Å; K861-S881 WeakPolarHBondContact CE-O 3.36Å; K861-S881 PolarHBondContact NZ-O 3.39Å; S881-D902 PolarHBondContact N-OD2 3.04Å; S881-D902 VanDerWaalsContact OG-CB 3.29Å; S881-D902 WeakPolarHBondContact OG-CB 3.05Å; S881-D902 PolarHBondContact OG-OD2 3.29Å |
| 882 | E | 91.2 | Very high | 91.9 | Very high | 49 Ų | 49 | 25 Ų | 25 | 23% | 0.229 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -130.4 | -175.3 | 173.8 | -65 | -56.4 | 150.2 | 0 | 0 | 111.8 | K861 H880 A901 D902 | K861-E882 WeakPolarHBondContact CE-OE2 3.5Å; K861-E882 IonicContact NZ-OE1 2.75Å; K861-E882 PolarHBondContact NZ-OE1 3.29Å; K861-E882 IonicContact NZ-OE2 3.8Å; K861-E882 PolarHBondContact NZ-OE2 3.18Å; H880-E882 WeakPolarHBondContact CB-O 3.21Å; E882-A901 HydrophobicContact CB-CB 3.92Å; E882-D902 HydrophobicContact CB-CB 4.04Å; E882-D902 HydrophobicContact CG-CB 4.15Å |
| 883 | M | 91.6 | Very high | 91.9 | Very high | 48 Ų | 48 | 19.5 Ų | 19.5 | 24% | 0.236 | 10% | 0.1 | C | C | . | . | trans | -67.1 | 133.6 | -176.5 | -66.3 | 172.6 | 64.4 | 0 | 0 | 111.8 | V843 L885 S900 A901 | V843-M883 HydrophobicContact CG1-CE 4.06Å; V843-M883 HydrophobicContact CG2-CE 3.62Å; M883-L885 HydrophobicContact CB-CD2 4.3Å; M883-L885 PolarHBondContact O-N 2.79Å; M883-S900 WeakPolarHBondContact O-CA 3.2Å; M883-S900 PolarHBondContact O-OG 3.42Å; M883-A901 PolarHBondContact O-N 3.31Å; M883-A901 VanDerWaalsContact O-N 3.07Å | ||
| 884 | C | 95.6 | Very high | 92 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 109.5 | 172 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | S857 L863 G886 V899 | S857-C884 PolarHBondContact OG-O 3.43Å; S857-C884 VanDerWaalsContact OG-O 3.05Å; L863-C884 HydrophobicContact CD2-CB 3.82Å; C884-G886 PolarHBondContact SG-O 2.85Å; C884-V899 CarbonylContact C-O 3.56Å; C884-V899 WeakPolarHBondContact CA-O 3.37Å; C884-V899 PolarHBondContact SG-O 3.07Å; C884-V899 VanDerWaalsContact SG-O 3.42Å |
| 885 | L | 95.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 24.6 Ų | 24.6 | 11% | 0.11 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -19.4 | -172.2 | -57 | -180 | 0 | 0 | 0 | 113.8 | W441 R844 M883 V899 A901 | W441-L885 HydrophobicContact CD2-CD1 3.71Å; W441-L885 HydrophobicContact CE3-CD1 3.95Å; W441-L885 HydrophobicContact CG-CD1 4.11Å; W441-L885 HydrophobicContact CH2-CD1 4.41Å; W441-L885 HydrophobicContact CZ2-CD1 4.2Å; W441-L885 HydrophobicContact CZ3-CD1 4.29Å; W441-L885 CarbonylContact O-C 3.58Å; R844-L885 VanDerWaalsContact CG-O 3.3Å; R844-L885 WeakPolarHBondContact CG-O 3.2Å; R844-L885 PolarHBondContact NE-O 2.91Å; M883-L885 HydrophobicContact CB-CD2 4.3Å; M883-L885 PolarHBondContact O-N 2.79Å; L885-V899 PolarHBondContact N-O 3.34Å; L885-A901 HydrophobicContact CD1-CB 4.07Å; L885-A901 HydrophobicContact CG-CB 4.45Å |
| 886 | G | 96 | Very high | 92.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C884 V899 | C884-G886 PolarHBondContact SG-O 2.85Å; G886-V899 PolarHBondContact N-O 2.85Å; G886-V899 PolarHBondContact O-N 2.91Å |
| 887 | L | 96.8 | Very high | 92.7 | Very high | 16 Ų | 16 | 23.6 Ų | 23.6 | 8% | 0.084 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 120.9 | -169 | -169 | 65 | 0 | 0 | 0 | 110.3 | R844 S846 A855 L863 L896 I897 | R844-L887 HydrophobicContact CB-CB 4.42Å; S846-L887 WeakPolarHBondContact CB-O 3.33Å; S846-L887 PolarHBondContact OG-O 2.61Å; A855-L887 HydrophobicContact CB-CD2 3.78Å; A855-L887 HydrophobicContact CB-CG 4.24Å; L863-L887 HydrophobicContact CD2-CD1 4.4Å; L887-L896 HydrophobicContact CD1-CD1 3.8Å; L887-L896 HydrophobicContact CD1-CD2 4.27Å; L887-L896 HydrophobicContact CD1-CG 4.15Å; L887-L896 HydrophobicContact CG-CD1 4.08Å; L887-I897 WeakPolarHBondContact CA-O 3.09Å |
| 888 | K | 96.5 | Very high | 93 | Very high | 59 Ų | 59 | 23 Ų | 23 | 26% | 0.257 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 125.5 | -173.4 | -170 | 85.5 | -178.7 | -160.9 | 0 | 111.9 | V443 D444 C445 I897 | V443-K888 HydrophobicContact CG1-CB 3.98Å; V443-K888 HydrophobicContact CG2-CB 4.34Å; D444-K888 WeakPolarHBondContact OD1-CE 3.33Å; D444-K888 IonicContact OD1-NZ 3.38Å; D444-K888 PolarHBondContact OD1-NZ 3.02Å; C445-K888 WeakPolarHBondContact SG-CE 3.43Å; K888-I897 PolarHBondContact N-O 3.34Å; K888-I897 PolarHBondContact O-N 2.75Å |
| 889 | F | 95 | Very high | 93.4 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 4% | 0.039 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.6 | 164 | -74.5 | -79.8 | 0 | 0 | 0 | 109.8 | S846 D848 L853 A855 I865 L896 L910 | S846-F889 WeakPolarHBondContact O-CE2 3.42Å; D848-F889 HydrophobicContact CB-CB 4.36Å; D848-F889 HydrophobicContact CB-CD1 4.27Å; D848-F889 HydrophobicContact CB-CD2 3.79Å; D848-F889 HydrophobicContact CB-CE2 4.06Å; D848-F889 HydrophobicContact CB-CG 3.9Å; D848-F889 HydrophobicContact CB-CZ 4.41Å; L853-F889 HydrophobicContact CB-CZ 4.35Å; A855-F889 HydrophobicContact CB-CE2 3.7Å; A855-F889 HydrophobicContact CB-CZ 3.83Å; I865-F889 HydrophobicContact CD1-CZ 4.41Å; I865-F889 HydrophobicContact CG2-CZ 4.41Å; F889-L896 HydrophobicContact CD1-CB 3.95Å; F889-L896 HydrophobicContact CD1-CD1 4.03Å; F889-L896 HydrophobicContact CD2-CD1 4.1Å; F889-L896 HydrophobicContact CE1-CB 3.96Å; F889-L896 HydrophobicContact CE1-CD1 4.1Å; F889-L896 HydrophobicContact CE1-CD2 4.41Å; F889-L896 HydrophobicContact CE1-CG 4.39Å; F889-L896 HydrophobicContact CE2-CD1 4.18Å; F889-L896 HydrophobicContact CG-CD1 4.03Å; F889-L896 HydrophobicContact CZ-CD1 4.18Å; F889-L896 HydrophobicContact CZ-CD2 4.45Å; F889-L910 HydrophobicContact CD1-CD1 4.47Å; F889-L910 HydrophobicContact CE1-CD1 4.21Å; F889-L910 HydrophobicContact CE1-CD2 4.47Å |
| 890 | L | 92.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -74.5 | 153.8 | 174.1 | -66.8 | -165.8 | 0 | 0 | 0 | 111.3 | C445 F480 L494 N892 L893 Y895 I897 | C445-L890 HydrophobicContact CB-CD2 4.19Å; F480-L890 HydrophobicContact CB-CD2 3.93Å; F480-L890 HydrophobicContact CD1-CD1 4.34Å; F480-L890 HydrophobicContact CD1-CD2 4.35Å; F480-L890 HydrophobicContact CG-CD2 4.4Å; L494-L890 HydrophobicContact CD1-CD1 3.63Å; L890-N892 PolarHBondContact O-N 2.76Å; L890-L893 PolarHBondContact O-N 3.41Å; L890-Y895 HydrophobicContact CD1-CD2 4.18Å; L890-Y895 PolarHBondContact N-O 3.2Å; L890-I897 HydrophobicContact CD1-CD1 4.13Å; L890-I897 HydrophobicContact CD1-CG1 4.29Å; L890-I897 HydrophobicContact CD2-CG1 3.78Å; L890-I897 HydrophobicContact CG-CD1 4.19Å; L890-I897 HydrophobicContact CG-CG1 3.87Å | ||
| 891 | P | 86.6 | Confident | 93.7 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 4% | 0.039 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -31.2 | -174 | -15.9 | 29.2 | 0 | 0 | 0 | 112.4 | L446 E448 L893 | L446-P891 WeakPolarHBondContact O-CG 3.35Å; E448-P891 HydrophobicContact CB-CB 3.74Å; P891-L893 PolarHBondContact O-N 2.91Å |
| 892 | N | 83.3 | Confident | 93.8 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 6% | 0.059 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 0.4 | 179 | 68.2 | 13.8 | 0 | 0 | 0 | 115.7 | N477 D478 L890 R894 Y895 H919 | N477-N892 HydrophobicContact CB-CB 4.37Å; D478-N892 PolarHBondContact OD1-ND2 2.94Å; L890-N892 PolarHBondContact O-N 2.76Å; N892-R894 WeakPolarHBondContact O-CG 3.48Å; N892-R894 PolarHBondContact O-N 2.92Å; N892-R894 PolarHBondContact OD1-N 3.28Å; N892-Y895 WeakPolarHBondContact ND2-CD2 3.45Å; N892-H919 PolarHBondContact O-CE1 3.07Å; N892-H919 PolarHBondContact O-NE2 3.18Å |
| 893 | L | 89.8 | Confident | 93.9 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 56.7 | 15.6 | -179.7 | -51.5 | 179.7 | 0 | 0 | 0 | 115.4 | P849 T850 L890 P891 A915 L918 I922 | P849-L893 HydrophobicContact CB-CD2 3.93Å; P849-L893 HydrophobicContact CG-CD2 3.74Å; T850-L893 HydrophobicContact CG2-CD1 3.74Å; T850-L893 HydrophobicContact CG2-CD2 3.99Å; L890-L893 PolarHBondContact O-N 3.41Å; P891-L893 PolarHBondContact O-N 2.91Å; L893-A915 WeakPolarHBondContact O-CB 3.27Å; L893-L918 HydrophobicContact CB-CB 4.18Å; L893-L918 HydrophobicContact CD1-CB 3.87Å; L893-L918 HydrophobicContact CG-CB 4.42Å; L893-I922 HydrophobicContact CD1-CB 4.38Å; L893-I922 HydrophobicContact CD1-CD1 4.33Å; L893-I922 HydrophobicContact CD1-CG2 4.42Å |
| 894 | R | 90.7 | Very high | 94.2 | Very high | 133 Ų | 133 | 15 Ų | 15 | 50% | 0.502 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -104.7 | -26.9 | -178.2 | -70.5 | 166.4 | -170.7 | -170 | 1.9 | 113.7 | N892 R909 L910 | N892-R894 WeakPolarHBondContact O-CG 3.48Å; N892-R894 PolarHBondContact O-N 2.92Å; N892-R894 PolarHBondContact OD1-N 3.28Å; R894-R909 WeakPolarHBondContact O-CA 3.38Å; R894-L910 PolarHBondContact O-N 3.4Å |
| 895 | Y | 94.5 | Very high | 94.3 | Very high | 21 Ų | 21 | 15 Ų | 15 | 8% | 0.082 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.6 | -173.7 | -53 | -75.3 | 0 | 0 | 0 | 113.9 | L494 L890 N892 V907 W908 R909 | L494-Y895 HydrophobicContact CD1-CD1 4.33Å; L494-Y895 HydrophobicContact CD1-CD2 3.49Å; L494-Y895 VanDerWaalsContact CD1-CD2 3.49Å; L494-Y895 HydrophobicContact CD1-CE2 3.75Å; L494-Y895 HydrophobicContact CD1-CG 3.8Å; L890-Y895 HydrophobicContact CD1-CD2 4.18Å; L890-Y895 PolarHBondContact N-O 3.2Å; N892-Y895 WeakPolarHBondContact ND2-CD2 3.45Å; Y895-V907 HydrophobicContact CD1-CG1 3.8Å; Y895-V907 HydrophobicContact CE1-CG1 4.38Å; Y895-V907 HydrophobicContact CG-CG1 4.23Å; Y895-W908 CarbonylContact C-O 3.58Å; Y895-W908 VanDerWaalsContact CA-O 3.25Å; Y895-W908 WeakPolarHBondContact CA-O 3.23Å; Y895-R909 HydrophobicContact CD1-CB 4.12Å; Y895-R909 HydrophobicContact CD1-CG 4.31Å; Y895-R909 HydrophobicContact CE1-CB 4.05Å; Y895-R909 HydrophobicContact CE1-CG 3.92Å |
| 896 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.1 | 162 | 171.2 | 67.6 | 0 | 0 | 0 | 107.8 | A855 I865 L877 L887 F889 W908 | A855-L896 HydrophobicContact CB-CD1 3.97Å; A855-L896 HydrophobicContact CB-CD2 3.73Å; I865-L896 HydrophobicContact CD1-CD2 3.6Å; I865-L896 HydrophobicContact CG1-CD2 4.13Å; L877-L896 HydrophobicContact CD1-CD2 4.43Å; L887-L896 HydrophobicContact CD1-CD1 3.8Å; L887-L896 HydrophobicContact CD1-CD2 4.27Å; L887-L896 HydrophobicContact CD1-CG 4.15Å; L887-L896 HydrophobicContact CG-CD1 4.08Å; F889-L896 HydrophobicContact CD1-CB 3.95Å; F889-L896 HydrophobicContact CD1-CD1 4.03Å; F889-L896 HydrophobicContact CD2-CD1 4.1Å; F889-L896 HydrophobicContact CE1-CB 3.96Å; F889-L896 HydrophobicContact CE1-CD1 4.1Å; F889-L896 HydrophobicContact CE1-CD2 4.41Å; F889-L896 HydrophobicContact CE1-CG 4.39Å; F889-L896 HydrophobicContact CE2-CD1 4.18Å; F889-L896 HydrophobicContact CG-CD1 4.03Å; F889-L896 HydrophobicContact CZ-CD1 4.18Å; F889-L896 HydrophobicContact CZ-CD2 4.45Å; L896-W908 HydrophobicContact CB-CB 4.21Å; L896-W908 PolarHBondContact N-O 3.2Å; L896-W908 WeakPolarHBondContact O-CB 3.39Å; L896-W908 PolarHBondContact O-N 3.09Å |
| 897 | I | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131 | 175.7 | -48.3 | -59.2 | 0 | 0 | 0 | 108.8 | V443 F480 L494 L887 K888 L890 V899 I905 V907 | V443-I897 HydrophobicContact CG2-CB 4.38Å; V443-I897 HydrophobicContact CG2-CG2 4.03Å; F480-I897 HydrophobicContact CD1-CD1 4.39Å; F480-I897 HydrophobicContact CD1-CG1 4.41Å; F480-I897 HydrophobicContact CD2-CG2 4.33Å; F480-I897 HydrophobicContact CE1-CD1 4.11Å; F480-I897 HydrophobicContact CE2-CG2 4.01Å; F480-I897 HydrophobicContact CG-CG1 4.48Å; F480-I897 HydrophobicContact CZ-CD1 4.36Å; F480-I897 HydrophobicContact CZ-CG2 4.36Å; L494-I897 HydrophobicContact CD1-CD1 4.42Å; L887-I897 WeakPolarHBondContact CA-O 3.09Å; K888-I897 PolarHBondContact N-O 3.34Å; K888-I897 PolarHBondContact O-N 2.75Å; L890-I897 HydrophobicContact CD1-CD1 4.13Å; L890-I897 HydrophobicContact CD1-CG1 4.29Å; L890-I897 HydrophobicContact CD2-CG1 3.78Å; L890-I897 HydrophobicContact CG-CD1 4.19Å; L890-I897 HydrophobicContact CG-CG1 3.87Å; I897-V899 HydrophobicContact CG2-CG1 4.25Å; I897-I905 HydrophobicContact CG2-CG2 3.6Å; I897-V907 HydrophobicContact CD1-CB 4.35Å; I897-V907 HydrophobicContact CD1-CG1 3.98Å; I897-V907 HydrophobicContact CD1-CG2 4.09Å |
| 898 | S | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.3 | 169.4 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | H880 F906 W908 | H880-S898 PolarHBondContact NE2-OG 3.03Å; S898-F906 PolarHBondContact N-O 3.3Å; S898-F906 PolarHBondContact O-N 2.93Å; S898-W908 PolarHBondContact OG-NE1 3.4Å |
| 899 | V | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.6 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | I440 V443 T482 C884 L885 G886 I897 I905 | I440-V899 HydrophobicContact CB-CB 3.96Å; I440-V899 HydrophobicContact CB-CG2 4.37Å; I440-V899 HydrophobicContact CG2-CB 3.64Å; I440-V899 HydrophobicContact CG2-CG1 4.07Å; I440-V899 HydrophobicContact CG2-CG2 3.85Å; V443-V899 HydrophobicContact CB-CG1 3.94Å; V443-V899 HydrophobicContact CB-CG2 4.11Å; V443-V899 HydrophobicContact CG1-CG1 4.09Å; V443-V899 HydrophobicContact CG1-CG2 3.84Å; V443-V899 HydrophobicContact CG2-CG1 4.41Å; T482-V899 HydrophobicContact CG2-CG1 3.98Å; C884-V899 CarbonylContact C-O 3.56Å; C884-V899 WeakPolarHBondContact CA-O 3.37Å; C884-V899 PolarHBondContact SG-O 3.07Å; C884-V899 VanDerWaalsContact SG-O 3.42Å; L885-V899 PolarHBondContact N-O 3.34Å; G886-V899 PolarHBondContact N-O 2.85Å; G886-V899 PolarHBondContact O-N 2.91Å; I897-V899 HydrophobicContact CG2-CG1 4.25Å; V899-I905 HydrophobicContact CG1-CB 4.39Å; V899-I905 HydrophobicContact CG1-CG1 4.02Å; V899-I905 HydrophobicContact CG1-CG2 4.07Å |
| 900 | S | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 158.1 | -158.2 | 163.6 | 0 | 0 | 0 | 0 | 113.9 | I440 H880 M883 D902 S903 | I440-S900 PolarHBondContact N-O 3.48Å; H880-S900 VanDerWaalsContact CE1-CB 3.47Å; H880-S900 WeakPolarHBondContact CE1-CB 3.34Å; H880-S900 WeakPolarHBondContact ND1-CB 3.21Å; H880-S900 PolarHBondContact ND1-OG 2.82Å; M883-S900 WeakPolarHBondContact O-CA 3.2Å; M883-S900 PolarHBondContact O-OG 3.42Å; S900-D902 WeakPolarHBondContact CB-OD1 3.49Å; S900-D902 PolarHBondContact O-N 3.46Å; S900-D902 VanDerWaalsContact OG-CG 3.3Å; S900-D902 PolarHBondContact OG-N 2.9Å; S900-D902 PolarHBondContact OG-OD1 3.47Å; S900-S903 PolarHBondContact O-N 2.76Å |
| 901 | A | 94.4 | Very high | 94.1 | Very high | 13 Ų | 13 | 16.2 Ų | 16.2 | 11% | 0.107 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G439 E882 M883 L885 S903 C1459 | G439-A901 WeakPolarHBondContact CA-O 3.47Å; E882-A901 HydrophobicContact CB-CB 3.92Å; M883-A901 PolarHBondContact O-N 3.31Å; M883-A901 VanDerWaalsContact O-N 3.07Å; L885-A901 HydrophobicContact CD1-CB 4.07Å; L885-A901 HydrophobicContact CG-CB 4.45Å; A901-S903 PolarHBondContact O-N 3.09Å; A901-S903 VanDerWaalsContact O-N 3.15Å; A901-C1459 HydrophobicContact CB-CB 4.01Å |
| 902 | D | 92.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 20.1 Ų | 20.1 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 20.7 | 174.1 | 75.4 | -14.3 | 0 | 0 | 0 | 114.7 | T32 G53 H880 S881 E882 S900 C904 | T32-D902 HydrophobicContact CG2-CB 4.02Å; G53-D902 WeakPolarHBondContact CA-OD2 3.46Å; H880-D902 IonicContact CG-OD1 3.81Å; H880-D902 IonicContact ND1-OD1 3.18Å; H880-D902 PolarHBondContact ND1-OD1 3.42Å; H880-D902 VanDerWaalsContact ND1-OD1 3.17Å; S881-D902 PolarHBondContact N-OD2 3.04Å; S881-D902 VanDerWaalsContact OG-CB 3.29Å; S881-D902 WeakPolarHBondContact OG-CB 3.05Å; S881-D902 PolarHBondContact OG-OD2 3.29Å; E882-D902 HydrophobicContact CB-CB 4.04Å; E882-D902 HydrophobicContact CG-CB 4.15Å; S900-D902 WeakPolarHBondContact CB-OD1 3.49Å; S900-D902 PolarHBondContact O-N 3.46Å; S900-D902 VanDerWaalsContact OG-CG 3.3Å; S900-D902 PolarHBondContact OG-N 2.9Å; S900-D902 PolarHBondContact OG-OD1 3.47Å; D902-C904 PolarHBondContact O-N 3.44Å; D902-C904 PolarHBondContact O-SG 3.16Å |
| 903 | S | 93.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 60.5 | 8.5 | 174.9 | 71.4 | 0 | 0 | 0 | 0 | 116.3 | H414 H436 R438 I440 S900 A901 | H414-S903 PolarHBondContact CE1-OG 3.11Å; H414-S903 PolarHBondContact ND1-OG 2.9Å; H414-S903 VanDerWaalsContact ND1-OG 3.1Å; H436-S903 WeakPolarHBondContact O-CB 3.31Å; R438-S903 WeakPolarHBondContact O-CA 3.47Å; R438-S903 WeakPolarHBondContact O-CB 3.43Å; I440-S903 WeakPolarHBondContact CD1-O 3.34Å; S900-S903 PolarHBondContact O-N 2.76Å; A901-S903 PolarHBondContact O-N 3.09Å; A901-S903 VanDerWaalsContact O-N 3.15Å |
| 904 | C | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -102.6 | 143.7 | -179 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | H880 D902 F906 | H880-C904 PolarHBondContact CE1-O 3.17Å; D902-C904 PolarHBondContact O-N 3.44Å; D902-C904 PolarHBondContact O-SG 3.16Å; C904-F906 HydrophobicContact CB-CD1 4.03Å; C904-F906 HydrophobicContact CB-CE1 3.73Å | ||
| 905 | I | 97.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.1 | 168.3 | -51.9 | 167.4 | 0 | 0 | 0 | 107.6 | I29 I440 F480 T482 W492 I897 V899 | I29-I905 HydrophobicContact CB-CB 4.17Å; I29-I905 HydrophobicContact CG2-CD1 4.25Å; I29-I905 PolarHBondContact N-O 2.86Å; I29-I905 PolarHBondContact O-N 3.43Å; I440-I905 HydrophobicContact CD1-CD1 4.11Å; I440-I905 HydrophobicContact CD1-CG1 3.44Å; I440-I905 VanDerWaalsContact CD1-CG1 3.44Å; F480-I905 HydrophobicContact CE2-CD1 4.38Å; F480-I905 HydrophobicContact CE2-CG2 4.06Å; F480-I905 HydrophobicContact CZ-CG2 4.18Å; T482-I905 HydrophobicContact CG2-CD1 3.82Å; T482-I905 HydrophobicContact CG2-CG1 4.39Å; W492-I905 HydrophobicContact CD2-CD1 4.28Å; W492-I905 HydrophobicContact CZ2-CD1 3.71Å; I897-I905 HydrophobicContact CG2-CG2 3.6Å; V899-I905 HydrophobicContact CG1-CB 4.39Å; V899-I905 HydrophobicContact CG1-CG1 4.02Å; V899-I905 HydrophobicContact CG1-CG2 4.07Å |
| 906 | F | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.1 | 177.8 | -84.1 | 53.4 | 0 | 0 | 0 | 109.7 | L25 V28 V55 G879 H880 S898 C904 W908 | L25-F906 HydrophobicContact CD1-CB 4.09Å; L25-F906 HydrophobicContact CD1-CD2 3.55Å; L25-F906 HydrophobicContact CD1-CE2 4.35Å; L25-F906 HydrophobicContact CD1-CG 4.14Å; L25-F906 HydrophobicContact CD2-CD2 3.81Å; L25-F906 HydrophobicContact CD2-CE2 3.76Å; L25-F906 HydrophobicContact CG-CD2 4.36Å; V28-F906 HydrophobicContact CG1-CD1 4.12Å; V28-F906 HydrophobicContact CG1-CE1 3.74Å; V28-F906 HydrophobicContact CG1-CZ 4.18Å; V28-F906 HydrophobicContact CG2-CD1 4.27Å; V28-F906 HydrophobicContact CG2-CD2 4.09Å; V28-F906 HydrophobicContact CG2-CE1 4.11Å; V28-F906 HydrophobicContact CG2-CE2 3.91Å; V28-F906 HydrophobicContact CG2-CG 4.27Å; V28-F906 HydrophobicContact CG2-CZ 3.93Å; V55-F906 HydrophobicContact CB-CE2 4.45Å; V55-F906 HydrophobicContact CB-CZ 4.39Å; V55-F906 HydrophobicContact CG2-CE2 3.75Å; V55-F906 HydrophobicContact CG2-CZ 4.06Å; G879-F906 VanDerWaalsContact CA-CE2 3.49Å; H880-F906 AromaticContact CE1-CD1 3.33Å; H880-F906 WeakPolarHBondContact CE1-CD1 3.4Å; H880-F906 AromaticContact CE1-CE1 3.97Å; H880-F906 AromaticContact CE1-CG 3.8Å; H880-F906 AromaticContact ND1-CD1 3.71Å; H880-F906 AromaticContact ND1-CE1 3.87Å; H880-F906 AromaticContact NE2-CD1 3.99Å; H880-F906 AromaticContact NE2-CG 3.99Å; S898-F906 PolarHBondContact N-O 3.3Å; S898-F906 PolarHBondContact O-N 2.93Å; C904-F906 HydrophobicContact CB-CD1 4.03Å; C904-F906 HydrophobicContact CB-CE1 3.73Å; F906-W908 HydrophobicContact CB-CZ2 4.13Å; F906-W908 HydrophobicContact CD2-CH2 4.13Å; F906-W908 AromaticContact CD2-CZ2 3.68Å; F906-W908 HydrophobicContact CD2-CZ2 3.68Å; F906-W908 HydrophobicContact CG-CZ2 4.35Å |
| 907 | V | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 105.4 | -177.2 | -175 | 0 | 0 | 0 | 0 | 109 | E26 R27 I29 L494 Y895 I897 | E26-V907 PolarHBondContact N-O 3.39Å; R27-V907 HydrophobicContact CB-CB 3.93Å; R27-V907 HydrophobicContact CB-CG2 4Å; R27-V907 PolarHBondContact N-O 3.45Å; R27-V907 PolarHBondContact O-N 3.2Å; I29-V907 HydrophobicContact CD1-CG2 4.35Å; L494-V907 HydrophobicContact CD1-CG1 3.85Å; L494-V907 HydrophobicContact CD2-CG1 3.92Å; L494-V907 HydrophobicContact CD2-CG2 3.83Å; Y895-V907 HydrophobicContact CD1-CG1 3.8Å; Y895-V907 HydrophobicContact CE1-CG1 4.38Å; Y895-V907 HydrophobicContact CG-CG1 4.23Å; I897-V907 HydrophobicContact CD1-CB 4.35Å; I897-V907 HydrophobicContact CD1-CG1 3.98Å; I897-V907 HydrophobicContact CD1-CG2 4.09Å |
| 908 | W | 96 | Very high | 93.4 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 115.7 | -178.2 | -53.7 | 94.5 | 0 | 0 | 0 | 110.1 | V23 T24 L25 L863 L877 Y878 Y895 L896 S898 F906 | V23-W908 HydrophobicContact CG1-CB 3.99Å; T24-W908 CarbonylContact O-C 3.56Å; L25-W908 HydrophobicContact CB-CE3 3.96Å; L25-W908 HydrophobicContact CB-CH2 4.43Å; L25-W908 HydrophobicContact CB-CZ3 3.73Å; L25-W908 HydrophobicContact CD1-CD2 4.24Å; L25-W908 HydrophobicContact CD1-CE3 4.15Å; L25-W908 HydrophobicContact CD1-CH2 4.29Å; L25-W908 HydrophobicContact CD1-CZ2 4.39Å; L25-W908 HydrophobicContact CD1-CZ3 4.18Å; L25-W908 HydrophobicContact CG-CZ3 4.39Å; L863-W908 HydrophobicContact CD1-CZ2 4.08Å; L877-W908 HydrophobicContact CB-CD2 4.44Å; L877-W908 HydrophobicContact CB-CE3 4.15Å; L877-W908 HydrophobicContact CB-CH2 3.82Å; L877-W908 HydrophobicContact CB-CZ2 4.11Å; L877-W908 HydrophobicContact CB-CZ3 3.83Å; L877-W908 HydrophobicContact CD1-CB 4.47Å; L877-W908 HydrophobicContact CD1-CD2 3.75Å; L877-W908 HydrophobicContact CD1-CE3 3.91Å; L877-W908 HydrophobicContact CD1-CG 3.99Å; L877-W908 HydrophobicContact CD1-CZ3 4.45Å; L877-W908 HydrophobicContact CD2-CE3 4.35Å; L877-W908 HydrophobicContact CG-CE3 4.36Å; L877-W908 HydrophobicContact CG-CZ3 4.49Å; Y878-W908 WeakPolarHBondContact O-CH2 3.31Å; Y895-W908 CarbonylContact C-O 3.58Å; Y895-W908 VanDerWaalsContact CA-O 3.25Å; Y895-W908 WeakPolarHBondContact CA-O 3.23Å; L896-W908 HydrophobicContact CB-CB 4.21Å; L896-W908 PolarHBondContact N-O 3.2Å; L896-W908 WeakPolarHBondContact O-CB 3.39Å; L896-W908 PolarHBondContact O-N 3.09Å; S898-W908 PolarHBondContact OG-NE1 3.4Å; F906-W908 HydrophobicContact CB-CZ2 4.13Å; F906-W908 HydrophobicContact CD2-CH2 4.13Å; F906-W908 AromaticContact CD2-CZ2 3.68Å; F906-W908 HydrophobicContact CD2-CZ2 3.68Å; F906-W908 HydrophobicContact CG-CZ2 4.35Å |
| 909 | R | 94.5 | Very high | 92.8 | Very high | 100 Ų | 100 | 29.8 Ų | 29.8 | 38% | 0.377 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.8 | 174.8 | -168.2 | -151.5 | -171.5 | 97.2 | -5.5 | 110.2 | V23 T24 E26 R894 Y895 | V23-R909 WeakPolarHBondContact CA-O 3.15Å; T24-R909 PolarHBondContact N-O 3.42Å; T24-R909 PolarHBondContact O-N 3.23Å; E26-R909 HydrophobicContact CB-CB 4Å; E26-R909 IonicContact OE1-NH1 3.8Å; E26-R909 VanDerWaalsContact OE2-CB 3.31Å; E26-R909 WeakPolarHBondContact OE2-CB 3.27Å; E26-R909 WeakPolarHBondContact OE2-CD 3.46Å; E26-R909 WeakPolarHBondContact OE2-CG 3.25Å; E26-R909 IonicContact OE2-CZ 2.66Å; E26-R909 IonicContact OE2-NE 3.2Å; E26-R909 IonicContact OE2-NH1 3.14Å; E26-R909 PolarHBondContact OE2-NH1 3.09Å; R894-R909 WeakPolarHBondContact O-CA 3.38Å; Y895-R909 HydrophobicContact CD1-CB 4.12Å; Y895-R909 HydrophobicContact CD1-CG 4.31Å; Y895-R909 HydrophobicContact CE1-CB 4.05Å; Y895-R909 HydrophobicContact CE1-CG 3.92Å |
| 910 | L | 93.9 | Very high | 92 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.3 | 167.8 | -54.2 | -173.4 | 0 | 0 | 0 | 109.6 | V23 I865 F889 R894 L914 L918 | V23-L910 HydrophobicContact CG1-CD2 4.26Å; V23-L910 HydrophobicContact CG2-CD2 3.88Å; I865-L910 HydrophobicContact CD1-CD2 4.34Å; F889-L910 HydrophobicContact CD1-CD1 4.47Å; F889-L910 HydrophobicContact CE1-CD1 4.21Å; F889-L910 HydrophobicContact CE1-CD2 4.47Å; R894-L910 PolarHBondContact O-N 3.4Å; L910-L914 HydrophobicContact CB-CD2 4.34Å; L910-L914 HydrophobicContact CD1-CD2 4.49Å; L910-L914 HydrophobicContact CD2-CD2 4.25Å; L910-L918 HydrophobicContact CD1-CD1 3.86Å |
| 911 | S | 93.3 | Very high | 91.1 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 150 | 175.2 | 62 | 0 | 0 | 0 | 0 | 111.3 | Q22 N913 L914 A915 | Q22-S911 VanDerWaalsContact O-CB 3.24Å; Q22-S911 WeakPolarHBondContact O-CB 3.03Å; Q22-S911 PolarHBondContact O-N 2.72Å; Q22-S911 PolarHBondContact O-OG 3.16Å; Q22-S911 VanDerWaalsContact O-OG 3.06Å; S911-N913 PolarHBondContact O-N 2.68Å; S911-N913 VanDerWaalsContact O-N 3.16Å; S911-L914 PolarHBondContact O-N 2.83Å; S911-L914 WeakPolarHBondContact OG-CB 3.21Å; S911-A915 PolarHBondContact O-N 3.32Å |
| 912 | T | 90.2 | Very high | 90.1 | Very high | 88 Ų | 88 | 41.1 Ų | 41.1 | 54% | 0.54 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -52.9 | -41.1 | -177.4 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | A915 Q916 | T912-A915 PolarHBondContact O-N 2.75Å; T912-Q916 VanDerWaalsContact O-CB 3.26Å; T912-Q916 WeakPolarHBondContact O-CB 3.31Å; T912-Q916 WeakPolarHBondContact O-CG 3.21Å; T912-Q916 PolarHBondContact O-N 3.05Å; T912-Q916 PolarHBondContact O-OE1 3.43Å |
| 913 | N | 90 | Very high | 89 | Confident | 112 Ų | 112 | 43.6 Ų | 43.6 | 60% | 0.599 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -68.6 | -37.4 | -178.3 | -54 | 3.7 | 0 | 0 | 0 | 111.5 | S911 Y917 | S911-N913 PolarHBondContact O-N 2.68Å; S911-N913 VanDerWaalsContact O-N 3.16Å; N913-Y917 WeakPolarHBondContact O-CB 3.48Å; N913-Y917 PolarHBondContact O-N 3.25Å |
| 914 | L | 90.3 | Very high | 87.5 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.9 | -45.1 | 176.9 | -175 | 62.5 | 0 | 0 | 0 | 110.6 | L853 I874 L910 S911 Q916 Y917 L918 | L853-L914 HydrophobicContact CD1-CD1 4.17Å; L853-L914 HydrophobicContact CD1-CD2 4.17Å; L853-L914 HydrophobicContact CD1-CG 4.33Å; I874-L914 HydrophobicContact CG2-CD2 3.96Å; L910-L914 HydrophobicContact CB-CD2 4.34Å; L910-L914 HydrophobicContact CD1-CD2 4.49Å; L910-L914 HydrophobicContact CD2-CD2 4.25Å; S911-L914 PolarHBondContact O-N 2.83Å; S911-L914 WeakPolarHBondContact OG-CB 3.21Å; L914-Q916 VanDerWaalsContact C-N 3.34Å; L914-Q916 PolarHBondContact O-N 2.79Å; L914-Y917 HydrophobicContact CD1-CD1 4.29Å; L914-Y917 WeakPolarHBondContact O-CB 3.24Å; L914-Y917 PolarHBondContact O-N 3Å; L914-L918 WeakPolarHBondContact O-CG 3Å; L914-L918 PolarHBondContact O-N 2.88Å |
| 915 | A | 90.7 | Very high | 85.5 | Confident | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L893 S911 T912 L918 H919 | L893-A915 WeakPolarHBondContact O-CB 3.27Å; S911-A915 PolarHBondContact O-N 3.32Å; T912-A915 PolarHBondContact O-N 2.75Å; A915-L918 PolarHBondContact O-N 2.93Å; A915-H919 PolarHBondContact O-CD2 2.68Å; A915-H919 PolarHBondContact O-N 2.66Å |
| 916 | Q | 87.8 | Confident | 82.8 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 172.5 | -79.2 | 170.9 | -43.2 | 0 | 0 | 111.7 | T912 L914 L918 H919 E920 | T912-Q916 VanDerWaalsContact O-CB 3.26Å; T912-Q916 WeakPolarHBondContact O-CB 3.31Å; T912-Q916 WeakPolarHBondContact O-CG 3.21Å; T912-Q916 PolarHBondContact O-N 3.05Å; T912-Q916 PolarHBondContact O-OE1 3.43Å; L914-Q916 VanDerWaalsContact C-N 3.34Å; L914-Q916 PolarHBondContact O-N 2.79Å; Q916-L918 VanDerWaalsContact C-N 3.28Å; Q916-L918 PolarHBondContact O-N 2.99Å; Q916-H919 CarbonylContact O-C 3.53Å; Q916-H919 PolarHBondContact O-N 2.91Å; Q916-E920 WeakPolarHBondContact O-CB 3.46Å; Q916-E920 WeakPolarHBondContact O-CG 3.34Å; Q916-E920 PolarHBondContact O-N 3.21Å |
| 917 | Y | 87.7 | Confident | 79.6 | Confident | 77 Ų | 77 | 54.7 Ų | 54.7 | 30% | 0.302 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -36.2 | 174.8 | 165.1 | -97 | 0 | 0 | 0 | 113.3 | H867 N913 L914 R921 | H867-Y917 AromaticContact CE1-CE1 3.73Å; N913-Y917 WeakPolarHBondContact O-CB 3.48Å; N913-Y917 PolarHBondContact O-N 3.25Å; L914-Y917 HydrophobicContact CD1-CD1 4.29Å; L914-Y917 WeakPolarHBondContact O-CB 3.24Å; L914-Y917 PolarHBondContact O-N 3Å; Y917-R921 HydrophobicContact CE2-CG 4.35Å; Y917-R921 WeakPolarHBondContact O-CG 3.25Å; Y917-R921 PolarHBondContact O-N 2.91Å; Y917-R921 VanDerWaalsContact O-N 3.09Å; Y917-R921 WeakPolarHBondContact OH-CD 3.35Å; Y917-R921 PolarHBondContact OH-NH1 2.86Å; Y917-R921 VanDerWaalsContact OH-NH1 3.13Å |
| 918 | L | 87 | Confident | 76.7 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.6 | -46.9 | 174.6 | -60.2 | 178.8 | 0 | 0 | 0 | 111.4 | T850 L853 L893 L910 L914 A915 Q916 E920 R921 I922 | T850-L918 HydrophobicContact CG2-CB 4.25Å; T850-L918 WeakPolarHBondContact CG2-O 3.48Å; L853-L918 HydrophobicContact CD1-CD1 3.93Å; L853-L918 HydrophobicContact CD1-CD2 4.17Å; L853-L918 HydrophobicContact CD2-CD2 4.18Å; L853-L918 HydrophobicContact CG-CD1 4.36Å; L853-L918 HydrophobicContact CG-CD2 3.82Å; L893-L918 HydrophobicContact CB-CB 4.18Å; L893-L918 HydrophobicContact CD1-CB 3.87Å; L893-L918 HydrophobicContact CG-CB 4.42Å; L910-L918 HydrophobicContact CD1-CD1 3.86Å; L914-L918 WeakPolarHBondContact O-CG 3Å; L914-L918 PolarHBondContact O-N 2.88Å; A915-L918 PolarHBondContact O-N 2.93Å; Q916-L918 VanDerWaalsContact C-N 3.28Å; Q916-L918 PolarHBondContact O-N 2.99Å; L918-E920 VanDerWaalsContact C-N 3.31Å; L918-E920 PolarHBondContact O-N 3.47Å; L918-R921 PolarHBondContact O-N 3.4Å; L918-I922 PolarHBondContact O-N 2.82Å |
| 919 | H | 85.3 | Confident | 74 | Confident | 58 Ų | 58 | 63 Ų | 63 | 27% | 0.269 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 172.4 | -72.6 | -62.7 | 0 | 0 | 0 | 111.5 | N892 A915 Q916 R921 I922 T923 | N892-H919 PolarHBondContact O-CE1 3.07Å; N892-H919 PolarHBondContact O-NE2 3.18Å; A915-H919 PolarHBondContact O-CD2 2.68Å; A915-H919 PolarHBondContact O-N 2.66Å; Q916-H919 CarbonylContact O-C 3.53Å; Q916-H919 PolarHBondContact O-N 2.91Å; H919-R921 PolarHBondContact O-N 2.79Å; H919-I922 WeakPolarHBondContact O-CG2 3.2Å; H919-I922 PolarHBondContact O-N 2.73Å; H919-T923 VanDerWaalsContact O-CB 3.22Å; H919-T923 WeakPolarHBondContact O-CB 3.48Å; H919-T923 PolarHBondContact O-N 3.13Å; H919-T923 PolarHBondContact O-OG1 2.91Å |
| 920 | E | 81.1 | Confident | 71 | Confident | 123 Ų | 123 | 64.2 Ų | 64.2 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.3 | -32.7 | 174.9 | -77.4 | 171.9 | -165.9 | 0 | 0 | 112.3 | Q916 L918 T924 | Q916-E920 WeakPolarHBondContact O-CB 3.46Å; Q916-E920 WeakPolarHBondContact O-CG 3.34Å; Q916-E920 PolarHBondContact O-N 3.21Å; L918-E920 VanDerWaalsContact C-N 3.31Å; L918-E920 PolarHBondContact O-N 3.47Å; E920-T924 WeakPolarHBondContact O-CB 3.44Å; E920-T924 PolarHBondContact O-N 2.92Å; E920-T924 PolarHBondContact O-OG1 2.97Å |
| 921 | R | 78.1 | Confident | 68.3 | Low | 101 Ų | 101 | 70.4 Ų | 70.4 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -79.5 | -35.4 | 176.3 | -76.8 | 177.2 | 57.9 | 118 | 1.6 | 113.5 | S852 Y917 L918 H919 S925 | S852-R921 VanDerWaalsContact OG-CZ 3.23Å; S852-R921 PolarHBondContact OG-NE 3.1Å; S852-R921 PolarHBondContact OG-NH2 2.87Å; S852-R921 VanDerWaalsContact OG-NH2 3.07Å; Y917-R921 HydrophobicContact CE2-CG 4.35Å; Y917-R921 WeakPolarHBondContact O-CG 3.25Å; Y917-R921 PolarHBondContact O-N 2.91Å; Y917-R921 VanDerWaalsContact O-N 3.09Å; Y917-R921 WeakPolarHBondContact OH-CD 3.35Å; Y917-R921 PolarHBondContact OH-NH1 2.86Å; Y917-R921 VanDerWaalsContact OH-NH1 3.13Å; L918-R921 PolarHBondContact O-N 3.4Å; H919-R921 PolarHBondContact O-N 2.79Å; R921-S925 VanDerWaalsContact O-CB 3.31Å; R921-S925 WeakPolarHBondContact O-CB 3.35Å; R921-S925 PolarHBondContact O-N 3.09Å |
| 922 | I | 73 | Confident | 65.6 | Low | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.138 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 169.8 | -133.8 | 174.2 | 0 | 0 | 0 | 110 | L792 T850 L893 L918 H919 S925 C926 | L792-I922 HydrophobicContact CD2-CG1 3.69Å; T850-I922 HydrophobicContact CG2-CB 3.88Å; T850-I922 HydrophobicContact CG2-CD1 4.16Å; T850-I922 HydrophobicContact CG2-CG1 3.98Å; L893-I922 HydrophobicContact CD1-CB 4.38Å; L893-I922 HydrophobicContact CD1-CD1 4.33Å; L893-I922 HydrophobicContact CD1-CG2 4.42Å; L918-I922 PolarHBondContact O-N 2.82Å; H919-I922 WeakPolarHBondContact O-CG2 3.2Å; H919-I922 PolarHBondContact O-N 2.73Å; I922-S925 CarbonylContact O-C 3.41Å; I922-S925 VanDerWaalsContact O-CB 3.29Å; I922-S925 WeakPolarHBondContact O-CB 3.4Å; I922-S925 PolarHBondContact O-N 2.9Å; I922-C926 PolarHBondContact O-N 3.38Å |
| 923 | T | 70.3 | Confident | 63.1 | Low | 63 Ų | 63 | 73.9 Ų | 73.9 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73 | -40 | -179.4 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | H919 S925 C926 M927 | H919-T923 VanDerWaalsContact O-CB 3.22Å; H919-T923 WeakPolarHBondContact O-CB 3.48Å; H919-T923 PolarHBondContact O-N 3.13Å; H919-T923 PolarHBondContact O-OG1 2.91Å; T923-S925 PolarHBondContact O-N 2.91Å; T923-C926 CarbonylContact O-C 3.52Å; T923-C926 PolarHBondContact O-N 2.93Å; T923-C926 PolarHBondContact O-SG 2.82Å; T923-M927 HydrophobicContact CG2-CG 3.62Å; T923-M927 WeakPolarHBondContact O-CB 3.35Å; T923-M927 VanDerWaalsContact O-CG 3.26Å; T923-M927 WeakPolarHBondContact O-CG 3.32Å; T923-M927 PolarHBondContact O-N 3.07Å |
| 924 | T | 61.2 | Low | 60.3 | Low | 78 Ų | 78 | 75.3 Ų | 75.3 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -32.1 | 172.8 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | E920 C926 L928 | E920-T924 WeakPolarHBondContact O-CB 3.44Å; E920-T924 PolarHBondContact O-N 2.92Å; E920-T924 PolarHBondContact O-OG1 2.97Å; T924-C926 PolarHBondContact O-N 2.93Å; T924-L928 HydrophobicContact CG2-CD1 4.45Å; T924-L928 PolarHBondContact O-N 3.18Å |
| 925 | S | 54.3 | Low | 57.3 | Low | 20 Ų | 20 | 80.4 Ų | 80.4 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -71.7 | -8.1 | 172.8 | -160.8 | 0 | 0 | 0 | 0 | 114.7 | R805 R921 I922 T923 | R805-S925 VanDerWaalsContact CZ-OG 3.29Å; R805-S925 PolarHBondContact NH1-OG 2.85Å; R805-S925 PolarHBondContact NH2-OG 3.35Å; R921-S925 VanDerWaalsContact O-CB 3.31Å; R921-S925 WeakPolarHBondContact O-CB 3.35Å; R921-S925 PolarHBondContact O-N 3.09Å; I922-S925 CarbonylContact O-C 3.41Å; I922-S925 VanDerWaalsContact O-CB 3.29Å; I922-S925 WeakPolarHBondContact O-CB 3.4Å; I922-S925 PolarHBondContact O-N 2.9Å; T923-S925 PolarHBondContact O-N 2.91Å |
| 926 | C | 42.5 | Very low | 54.4 | Low | 34 Ų | 34 | 87 Ų | 87 | 23% | 0.23 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -114.8 | -26 | 168.9 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | I922 T923 T924 L928 K929 | I922-C926 PolarHBondContact O-N 3.38Å; T923-C926 CarbonylContact O-C 3.52Å; T923-C926 PolarHBondContact O-N 2.93Å; T923-C926 PolarHBondContact O-SG 2.82Å; T924-C926 PolarHBondContact O-N 2.93Å; C926-L928 PolarHBondContact O-N 3.03Å; C926-K929 HydrophobicContact CB-CD 4.16Å; C926-K929 WeakPolarHBondContact O-CB 3.42Å; C926-K929 WeakPolarHBondContact O-CD 3.39Å; C926-K929 WeakPolarHBondContact O-CG 3.31Å; C926-K929 PolarHBondContact O-N 3.14Å; C926-K929 VanDerWaalsContact O-N 3.09Å |
| 927 | M | 29.4 | Very low | 51.5 | Low | 106 Ų | 106 | 87.1 Ų | 87.1 | 52% | 0.522 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.7 | -29.4 | 178.9 | -71.3 | -73.9 | -88.5 | 0 | 0 | 112.9 | T923 K929 N930 | T923-M927 HydrophobicContact CG2-CG 3.62Å; T923-M927 WeakPolarHBondContact O-CB 3.35Å; T923-M927 VanDerWaalsContact O-CG 3.26Å; T923-M927 WeakPolarHBondContact O-CG 3.32Å; T923-M927 PolarHBondContact O-N 3.07Å; M927-K929 PolarHBondContact O-N 2.93Å; M927-K929 VanDerWaalsContact O-N 3.16Å; M927-N930 PolarHBondContact O-N 2.91Å; M927-N930 VanDerWaalsContact O-N 3.14Å |
| 928 | L | 35.3 | Very low | 48.6 | Very low | 99 Ų | 99 | 93.5 Ų | 93.5 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -18.7 | 169.3 | -81.3 | 167 | 0 | 0 | 0 | 113 | T924 C926 N930 L932 | T924-L928 HydrophobicContact CG2-CD1 4.45Å; T924-L928 PolarHBondContact O-N 3.18Å; C926-L928 PolarHBondContact O-N 3.03Å; L928-N930 VanDerWaalsContact C-N 3.35Å; L928-L932 HydrophobicContact CD2-CD1 4.15Å |
| 929 | K | 38.5 | Very low | 45.8 | Very low | 82 Ų | 82 | 99.4 Ų | 99.4 | 36% | 0.357 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 175.1 | -56.1 | 172.5 | 175.8 | -174.3 | 0 | 112.5 | P793 C926 M927 | P793-K929 WeakPolarHBondContact O-CE 3.39Å; P793-K929 PolarHBondContact O-NZ 3.16Å; C926-K929 HydrophobicContact CB-CD 4.16Å; C926-K929 WeakPolarHBondContact O-CB 3.42Å; C926-K929 WeakPolarHBondContact O-CD 3.39Å; C926-K929 WeakPolarHBondContact O-CG 3.31Å; C926-K929 PolarHBondContact O-N 3.14Å; C926-K929 VanDerWaalsContact O-N 3.09Å; M927-K929 PolarHBondContact O-N 2.93Å; M927-K929 VanDerWaalsContact O-N 3.16Å |
| 930 | N | 32 | Very low | 43 | Very low | 125 Ų | 125 | 105.4 Ų | 105.4 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -94.4 | -28.9 | -168.8 | -68 | 16.7 | 0 | 0 | 0 | 113.6 | M927 L928 | M927-N930 PolarHBondContact O-N 2.91Å; M927-N930 VanDerWaalsContact O-N 3.14Å; L928-N930 VanDerWaalsContact C-N 3.35Å |
| 931 | I | 37.4 | Very low | 40.5 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 68% | 0.682 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -84.7 | -32.1 | -175.9 | -61.2 | 177 | 0 | 0 | 0 | 111.8 | ||
| 932 | L | 36.7 | Very low | 38 | Very low | 127 Ų | 127 | 110 Ų | 110 | 67% | 0.665 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -5.2 | -177.8 | -72.8 | 165.6 | 0 | 0 | 0 | 114.2 | L928 | L928-L932 HydrophobicContact CD2-CD1 4.15Š|
| 933 | G | 36.9 | Very low | 35.9 | Very low | 62 Ų | 62 | 111.8 Ų | 111.8 | 64% | 0.639 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -22.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 934 | N | 30.3 | Very low | 33.9 | Very low | 141 Ų | 141 | 116.6 Ų | 116.6 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -101.1 | 120.3 | 178.9 | -76.8 | -14.1 | 0 | 0 | 0 | 111 | I936 | N934-I936 PolarHBondContact O-N 2.68Š|
| 935 | S | 27.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 81% | 0.811 | 67% | 0.666 | S | S | * | * | trans | -48.8 | 123.6 | -173.2 | 46.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 936 | I | 30 | Very low | 31.2 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -152.4 | 131.9 | 147.7 | -97.4 | 141.4 | 0 | 0 | 0 | 108.1 | N934 | N934-I936 PolarHBondContact O-N 2.68Š| ||
| 937 | S | 26.2 | Very low | 30.4 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 137.7 | 171.4 | 44.4 | 0 | 0 | 0 | 0 | 110.6 | P939 | S937-P939 WeakPolarHBondContact O-CD 3.41Š|
| 938 | Y | 28.1 | Very low | 30.2 | Very low | 211 Ų | 211 | 135 Ų | 135 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 119.2 | 174.4 | -78.3 | -87.1 | 0 | 0 | 0 | 110.5 | ||
| 939 | P | 28.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 148.3 | 177 | 31.9 | -34.3 | 0 | 0 | 0 | 112.4 | S937 | S937-P939 WeakPolarHBondContact O-CD 3.41Š|
| 940 | Q | 25.2 | Very low | 29.1 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 133.5 | 179.2 | 176.1 | -174.9 | 11.5 | 0 | 0 | 112 | ||
| 941 | L | 29.4 | Very low | 28.9 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -166.3 | 124.4 | 157.9 | -114.3 | 159.1 | 0 | 0 | 0 | 112.5 | ||||
| 942 | D | 25.8 | Very low | 28.2 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -96.8 | 150.6 | 174.3 | -96.4 | -58.9 | 0 | 0 | 0 | 112.3 | ||||
| 943 | G | 28.1 | Very low | 27.6 | Very low | 64 Ų | 64 | 143.5 Ų | 143.5 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | 80.9 | 116.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 944 | I | 29.1 | Very low | 27.1 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | 168.6 | 121.9 | 122.4 | -85.5 | 155.3 | 0 | 0 | 0 | 108.6 | |||||
| 945 | P | 27.7 | Very low | 26.9 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -97.1 | 155.2 | 175.5 | 37.2 | -33.1 | 0 | 0 | 0 | 112.4 | ||||
| 946 | L | 30.4 | Very low | 26.9 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -156.3 | 155.9 | 161.4 | -111.5 | 167.5 | 0 | 0 | 0 | 111.5 | ||||
| 947 | E | 25.4 | Very low | 26.7 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -92.6 | 171.1 | -175 | -63.2 | -170.5 | 121.1 | 0 | 0 | 113.7 | ||||
| 948 | M | 25.2 | Very low | 26.8 | Very low | 160 Ų | 160 | 150 Ų | 150 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | 117.1 | 140.3 | 122.3 | -135.9 | -167.3 | -154.3 | 0 | 0 | 118.7 | |||||
| 949 | T | 27.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 84.1 | 150.9 | 161.4 | 74 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 950 | N | 24.3 | Very low | 26.7 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -102.3 | 174.2 | -176.2 | -79.3 | -82.6 | 0 | 0 | 0 | 111 | ||||
| 951 | T | 26.4 | Very low | 27 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 95.6 | 108.1 | 151.8 | 77 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 952 | R | 23.8 | Very low | 26.9 | Very low | 217 Ų | 217 | 141.2 Ų | 141.2 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | 82.3 | 106.2 | 109.5 | -167.9 | -176.6 | -168.1 | -136.8 | 3.5 | 120.3 | |||||
| 953 | L | 24.3 | Very low | 27.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | 86.3 | 136.2 | 140.1 | -72.4 | 173.3 | 0 | 0 | 0 | 122.3 | ||||
| 954 | K | 26.2 | Very low | 26.9 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 84 | 93 | 137.3 | -78.8 | 173.9 | 174.9 | -167.9 | 0 | 122.2 | ||||
| 955 | S | 25.3 | Very low | 26.8 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | 45.7 | 111.1 | 109 | 67.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 956 | G | 28.5 | Very low | 26.7 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -174.2 | 126.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 957 | R | 26.1 | Very low | 26.4 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | cis | 99.5 | 127.4 | 27.4 | -166.1 | 176.7 | -175.1 | 164.6 | 4.2 | 112.3 | ||||
| 958 | E | 28.4 | Very low | 26.5 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | trans | 74.8 | 103.7 | 172.6 | -81.7 | 127.6 | -140.8 | 0 | 0 | 119.4 | ||||
| 959 | D | 29.3 | Very low | 26.5 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | 91.2 | 108.5 | 121.1 | -59.4 | -1.4 | 0 | 0 | 0 | 124.4 | |||||
| 960 | S | 25.7 | Very low | 26.3 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | 90.1 | 159.1 | 129.4 | 76.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 961 | H | 31 | Very low | 26.6 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | 70.2 | 97.9 | 178.1 | -60.8 | -73.1 | 0 | 0 | 0 | 117.3 | ||||
| 962 | G | 26.6 | Very low | 26.6 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -85 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 963 | L | 29.8 | Very low | 26.8 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | -144.7 | 166.4 | 150.8 | -104 | 166.7 | 0 | 0 | 0 | 107.4 | ||||
| 964 | L | 23.7 | Very low | 26.9 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -65.2 | 141.6 | -166.2 | -72.2 | 79.4 | 0 | 0 | 0 | 113.1 | ||||
| 965 | N | 26.9 | Very low | 26.9 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -142.1 | 126.5 | 163.7 | -161.1 | 11.8 | 0 | 0 | 0 | 108.1 | ||||
| 966 | I | 25.9 | Very low | 26.9 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -92.2 | 114.7 | -168.8 | -60.2 | 175.1 | 0 | 0 | 0 | 110 | ||||
| 967 | N | 25.1 | Very low | 26.8 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -117.4 | 123.8 | 166.8 | -99.4 | -10.2 | 0 | 0 | 0 | 108.4 | S969 | N967-S969 PolarHBondContact O-N 2.82Š| ||
| 968 | C | 27.2 | Very low | 26.9 | Very low | 136 Ų | 136 | 141 Ų | 141 | 92% | 0.919 | 77% | 0.765 | S | S | * | * | trans | -93.3 | 81 | 171.5 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 969 | S | 24.4 | Very low | 26.9 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | trans | -135.9 | 143.3 | 161.7 | 57.6 | 0 | 0 | 0 | 0 | 108 | N967 | N967-S969 PolarHBondContact O-N 2.82Š| ||
| 970 | D | 24.7 | Very low | 26.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 70.8 | 124.1 | -169.9 | -52.3 | -32.9 | 0 | 0 | 0 | 115.6 | ||||
| 971 | Y | 28.7 | Very low | 27 | Very low | 244 Ų | 244 | 142.8 Ų | 142.8 | 96% | 0.957 | 78% | 0.775 | S | S | * | * | -138.7 | 132.9 | 126.9 | -116.8 | -81.6 | 0 | 0 | 0 | 107.8 | |||||
| 972 | S | 27.2 | Very low | 27 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 57% | 0.573 | 77% | 0.769 | S | S | * | * | trans | -141.4 | 144.5 | -157.6 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 973 | H | 28 | Very low | 27.1 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -146.8 | 148.7 | 160.2 | -90.2 | -96 | 0 | 0 | 0 | 110 | ||||
| 974 | I | 26.1 | Very low | 27.1 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | cis | -167.2 | 134.5 | -42.7 | -119.7 | 160.8 | 0 | 0 | 0 | 108.1 | ||||
| 975 | L | 26.3 | Very low | 27.1 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | trans | 62.8 | 124.5 | 163.6 | -62.6 | 168.8 | 0 | 0 | 0 | 122 | ||||
| 976 | N | 25.4 | Very low | 26.8 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | 33.8 | 134.1 | 124.1 | -46.3 | 7.5 | 0 | 0 | 0 | 119.9 | |||||
| 977 | D | 27.1 | Very low | 26.6 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | -168 | 175.5 | 66.3 | -105.5 | -22.6 | 0 | 0 | 0 | 113 | |||||
| 978 | D | 27.9 | Very low | 26.4 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -87 | 167.3 | -174.8 | -70.5 | -60.7 | 0 | 0 | 0 | 117.1 | ||||
| 979 | N | 27.6 | Very low | 26.2 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 94.4 | 111.5 | 160.2 | -54.6 | -75.9 | 0 | 0 | 0 | 117.9 | ||||
| 980 | V | 30 | Very low | 26.3 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 80.4 | 137.5 | 79.2 | 170 | 0 | 0 | 0 | 0 | 115 | |||||
| 981 | D | 27.9 | Very low | 26.4 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 69 | 129.5 | 177.7 | -66.9 | -20.9 | 0 | 0 | 0 | 117.7 | ||||
| 982 | V | 31.7 | Very low | 26.4 | Very low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | cis | 71.8 | 110.8 | 48.9 | -179.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 983 | D | 28.5 | Very low | 26.3 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | -171.2 | 171 | 61.4 | -153.4 | 0.4 | 0 | 0 | 0 | 115 | |||||
| 984 | T | 27.9 | Very low | 26.2 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 52% | 0.521 | 75% | 0.752 | S | S | . | * | trans | 30.9 | 130.4 | 155.8 | 52.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 985 | K | 24.2 | Very low | 26.1 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | 71.4 | 129.3 | 128.8 | -66.7 | 165.8 | -170.8 | 152 | 0 | 121.7 | |||||
| 986 | R | 21.6 | Very low | 26.2 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | 78.1 | 156.8 | 151 | -72.7 | 176.9 | 172.7 | 163.6 | -3.4 | 118.4 | ||||
| 987 | N | 21.1 | Very low | 26.5 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -34.6 | 135.3 | 171.6 | -57.8 | 10.6 | 0 | 0 | 0 | 115 | ||
| 988 | M | 21.9 | Very low | 26.4 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 83% | 0.833 | 74% | 0.737 | S | S | * | * | trans | 69.1 | 134.1 | 131.9 | -151.1 | -177.3 | -165.5 | 0 | 0 | 118.5 | ||||
| 989 | T | 22.6 | Very low | 26.3 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | 80.9 | 143.9 | 167.1 | 83.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 990 | S | 25.5 | Very low | 26.3 | Very low | 86 Ų | 86 | 144 Ų | 144 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | trans | 74.4 | 107.6 | 141.2 | -69 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 991 | R | 26.6 | Very low | 26.1 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | 77 | 108.6 | 121.4 | -67.9 | 170.6 | -176 | -171.6 | 0.1 | 116.8 | |||||
| 992 | K | 30.2 | Very low | 26.1 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | 66.3 | 99.4 | 82.2 | -75.5 | -171 | 175.8 | -171.4 | 0 | 113.6 | |||||
| 993 | Y | 25.1 | Very low | 25.8 | Very low | 221 Ų | 221 | 144.5 Ų | 144.5 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -153.2 | 134.6 | 133.4 | -86.6 | -78.9 | 0 | 0 | 0 | 105.6 | ||||
| 994 | T | 24.7 | Very low | 25.8 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | S | Bend | cis | -164.7 | 164.4 | -12.8 | -1.2 | 0 | 0 | 0 | 0 | 107.3 | ||
| 995 | S | 25.2 | Very low | 25.7 | Very low | 73 Ų | 73 | 148.1 Ų | 148.1 | 51% | 0.51 | 74% | 0.738 | S | S | . | * | cis | -155.5 | 149.4 | 2.2 | 90.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 996 | K | 26.9 | Very low | 25.9 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 67 | 144.7 | 154.7 | -58.6 | 168.7 | -161.9 | 166.7 | 0 | 116.2 | ||||
| 997 | H | 31.6 | Very low | 26.1 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | cis | -133.4 | 135.7 | -15.6 | -103.6 | -49.1 | 0 | 0 | 0 | 106.1 | ||||
| 998 | N | 25.5 | Very low | 26.4 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | 47.7 | 137.6 | 94.4 | -72.5 | 11.2 | 0 | 0 | 0 | 113.3 | |||||
| 999 | N | 26.7 | Very low | 26.6 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | cis | -177.4 | -172 | -11.8 | -165.7 | 25 | 0 | 0 | 0 | 104.9 | ||||
| 1000 | S | 27.1 | Very low | 26.9 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | trans | 61.2 | 106.9 | 163.9 | 43.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1001 | N | 26.8 | Very low | 27.2 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | 72.5 | 151.6 | 65.4 | -67.2 | 18.1 | 0 | 0 | 0 | 113 | |||||
| 1002 | N | 26.6 | Very low | 27.3 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | trans | 82.8 | 95.1 | 162.8 | -57.8 | -6.9 | 0 | 0 | 0 | 116.4 | ||||
| 1003 | N | 26.7 | Very low | 27.1 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | 75.6 | 165.5 | 114.6 | -57.6 | -0.3 | 0 | 0 | 0 | 120.5 | |||||
| 1004 | D | 26.8 | Very low | 27.1 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | 67.9 | 104.8 | 152.1 | -50 | -32.3 | 0 | 0 | 0 | 118.1 | ||||
| 1005 | D | 26.7 | Very low | 27.4 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 88% | 0.882 | 71% | 0.706 | S | S | * | * | 57.8 | 139.2 | 125.2 | -54.6 | -16.4 | 0 | 0 | 0 | 122.3 | |||||
| 1006 | G | 28.1 | Very low | 27.4 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | 125.8 | 94.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1007 | V | 26.9 | Very low | 27.3 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | cis | 71.4 | 134.9 | 47.3 | -166.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1008 | L | 26.4 | Very low | 27 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | 75.5 | 144.9 | -177.1 | -44.3 | -178.9 | 0 | 0 | 0 | 115.1 | ||||
| 1009 | N | 26.7 | Very low | 27.1 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | cis | -153.6 | 142.6 | -17.9 | -99.1 | -7.8 | 0 | 0 | 0 | 106.1 | ||||
| 1010 | D | 29.1 | Very low | 27 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | 83.9 | 151.7 | 50.7 | -157.5 | 16.4 | 0 | 0 | 0 | 113.7 | |||||
| 1011 | C | 31.1 | Very low | 26.9 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 69% | 0.689 | 74% | 0.74 | S | S | * | * | trans | 86.9 | 134.6 | -167.8 | -54.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1012 | N | 29.6 | Very low | 26.9 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | cis | -154.8 | 139.8 | -22.2 | -86.6 | -42 | 0 | 0 | 0 | 106.2 | ||||
| 1013 | S | 26.2 | Very low | 27.1 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | cis | 97.6 | 126.5 | 26.4 | 89.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1014 | M | 24.4 | Very low | 27.3 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | trans | 74.1 | 123.2 | 157.6 | -44.8 | -139.4 | 80.7 | 0 | 0 | 122 | Y1016 | M1014-Y1016 HydrophobicContact CE-CE2 4.08Š| ||
| 1015 | L | 29.7 | Very low | 27.5 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | 140.6 | 136.3 | 125.3 | -73.5 | 175.7 | 0 | 0 | 0 | 112.5 | |||||
| 1016 | Y | 26.9 | Very low | 27.9 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | cis | -156.9 | 174.9 | -36.8 | -146.7 | -101.6 | 0 | 0 | 0 | 108.9 | M1014 | M1014-Y1016 HydrophobicContact CE-CE2 4.08Š| ||
| 1017 | N | 23.9 | Very low | 28.3 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -96.2 | 159.3 | -168.3 | -72.7 | -23.7 | 0 | 0 | 0 | 116.6 | ||||
| 1018 | S | 24.5 | Very low | 28.8 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 67.5 | 134.1 | 144.3 | -63.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1019 | E | 28.2 | Very low | 29.5 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | 159.7 | 109.3 | 132.7 | -87.9 | 166.2 | -164.9 | 0 | 0 | 107.8 | ||||
| 1020 | M | 24.2 | Very low | 30.2 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | 65.4 | 118.6 | 80.1 | -100.9 | -167.1 | 174.2 | 0 | 0 | 117.4 | |||||
| 1021 | N | 25.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | 73.7 | 133.4 | 147.1 | -78.2 | 32 | 0 | 0 | 0 | 123.6 | ||||
| 1022 | E | 27.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | 102.2 | 126.3 | 128.1 | -83 | 168.4 | -127 | 0 | 0 | 124.3 | |||||
| 1023 | Y | 30.7 | Very low | 31.7 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 69.1 | 121.9 | 146 | -69.7 | -61.8 | 0 | 0 | 0 | 125.9 | ||||
| 1024 | E | 30.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | 76.2 | 111.7 | 129.2 | -81.3 | 168.8 | -177.8 | 0 | 0 | 125 | |||||
| 1025 | N | 29.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 72.1 | 165.5 | 116.2 | -67.9 | 5.6 | 0 | 0 | 0 | 124.4 | |||||
| 1026 | D | 35.5 | Very low | 33 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | 80.9 | 142.2 | 157.5 | -64.8 | -10.5 | 0 | 0 | 0 | 120.9 | ||||
| 1027 | V | 37.4 | Very low | 33.3 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | cis | -167.2 | 146.4 | -30.8 | 106.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1028 | D | 38 | Very low | 33.9 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | 48.5 | 169.3 | 150.7 | -51 | -21.8 | 0 | 0 | 0 | 127 | ||||
| 1029 | D | 40.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | 72.3 | 159.8 | 158.5 | -63.6 | -16 | 0 | 0 | 0 | 122.5 | ||||
| 1030 | D | 41 | Very low | 34.9 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | 177 | 162.8 | -50.5 | -112.3 | 30.4 | 0 | 0 | 0 | 109.2 | |||||
| 1031 | N | 40 | Very low | 35.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | cis | -162.7 | -163.5 | -21 | -144.8 | -37.6 | 0 | 0 | 0 | 110.2 | ||||
| 1032 | D | 39.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | 83.9 | 116.6 | 144.8 | -79.9 | -9.5 | 0 | 0 | 0 | 124.5 | ||||
| 1033 | L | 41.3 | Very low | 36.2 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | 81.2 | 124.8 | 124.9 | -62.4 | 170.1 | 0 | 0 | 0 | 124.9 | |||||
| 1034 | D | 36.8 | Very low | 36.2 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 66.5 | 155.1 | 132.3 | -67.1 | -4 | 0 | 0 | 0 | 123.4 | ||||
| 1035 | N | 33.2 | Very low | 36.2 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | cis | -175 | 178.4 | -30.2 | -159.5 | -10 | 0 | 0 | 0 | 108.9 | ||||
| 1036 | Y | 38.2 | Very low | 36.1 | Very low | 210 Ų | 210 | 135.3 Ų | 135.3 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | 83 | 146.2 | 167.5 | -66.3 | -84.8 | 0 | 0 | 0 | 121.6 | ||||
| 1037 | G | 34.2 | Very low | 35.8 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | trans | 92.5 | 99.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1038 | D | 35.1 | Very low | 35.4 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | cis | 75.1 | 153.6 | 39.6 | -51 | -52.3 | 0 | 0 | 0 | 114.8 | ||||
| 1039 | D | 38.7 | Very low | 35.1 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | 77.3 | 101.7 | 173 | -57.5 | -21.1 | 0 | 0 | 0 | 118.8 | ||||
| 1040 | D | 35.8 | Very low | 34.5 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -44.3 | 161.3 | 157.2 | -48 | -66.8 | 0 | 0 | 0 | 115.4 | ||||
| 1041 | D | 37.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | -176.7 | 153.4 | 114.7 | -109.5 | -28.7 | 0 | 0 | 0 | 113.4 | |||||
| 1042 | D | 33.2 | Very low | 33.3 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | -71.6 | 159.1 | 171.8 | -87.3 | -61.7 | 0 | 0 | 0 | 113.2 | ||||
| 1043 | E | 32.9 | Very low | 32.9 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | -169.1 | 119.8 | 115.8 | -99.9 | -142.9 | 124.2 | 0 | 0 | 114.4 | |||||
| 1044 | V | 31 | Very low | 32.2 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 62% | 0.618 | 69% | 0.692 | S | S | * | * | 39.9 | 111.7 | 120.1 | -173.7 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1045 | T | 30.5 | Very low | 31.8 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | -164.5 | 113 | 115.3 | 14.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1046 | S | 28.9 | Very low | 31.5 | Very low | 88 Ų | 88 | 126.5 Ų | 126.5 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | trans | 1.1 | 126.5 | 142 | 60.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1047 | F | 28.9 | Very low | 30.8 | Very low | 190 Ų | 190 | 120.1 Ų | 120.1 | 83% | 0.833 | 66% | 0.663 | S | S | * | * | -169.3 | 100.4 | 95.1 | -114.4 | -111.9 | 0 | 0 | 0 | 108 | |||||
| 1048 | S | 29.5 | Very low | 30.6 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 54% | 0.538 | 66% | 0.659 | S | S | . | * | 81.4 | 128.8 | 93 | 77.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1049 | Q | 30.7 | Very low | 30.2 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | trans | 66.4 | 147.7 | 150.1 | -61.3 | 174.3 | -5.5 | 0 | 0 | 117.6 | ||||
| 1050 | T | 28.3 | Very low | 29.8 | Very low | 33 Ų | 33 | 117.8 Ų | 117.8 | 20% | 0.202 | 64% | 0.64 | C | S | . | * | -150 | -131.6 | -119.2 | 33.5 | 0 | 0 | 0 | 0 | 115.2 | I1432 N1433 R1434 | T1050-I1432 VanDerWaalsContact O-CG2 3.28Å; T1050-I1432 WeakPolarHBondContact O-CG2 3.48Å; T1050-N1433 PolarHBondContact N-OD1 3.07Å; T1050-N1433 WeakPolarHBondContact O-CA 3.47Å; T1050-N1433 PolarHBondContact O-N 2.83Å; T1050-R1434 HydrophobicContact CG2-CB 4.44Å; T1050-R1434 WeakPolarHBondContact OG1-CA 3.47Å; T1050-R1434 WeakPolarHBondContact OG1-CB 3.44Å; T1050-R1434 PolarHBondContact OG1-N 3.35Å; T1050-R1434 PolarHBondContact OG1-O 2.85Å | |||
| 1051 | M | 28 | Very low | 29.7 | Very low | 103 Ų | 103 | 113.9 Ų | 113.9 | 51% | 0.507 | 63% | 0.629 | S | S | . | * | trans | -160.3 | 121.5 | -172 | 1.8 | 59.5 | 62.9 | 0 | 0 | 115.6 | N1433 R1434 | M1051-N1433 VanDerWaalsContact C-C 3.49Å; M1051-N1433 CarbonylContact C-O 3.58Å; M1051-N1433 VanDerWaalsContact CA-N 3.3Å; M1051-N1433 VanDerWaalsContact N-CA 3.27Å; M1051-R1434 HydrophobicContact CE-CG 4.01Å; M1051-R1434 WeakPolarHBondContact O-CG 3.49Å; M1051-R1434 HydrophobicContact SD-CG 3.96Å; M1051-R1434 PolarHBondContact SD-NE 2.94Å | ||
| 1052 | P | 28 | Very low | 29.6 | Very low | 72 Ų | 72 | 108.7 Ų | 108.7 | 47% | 0.468 | 60% | 0.6 | S | S | . | * | trans | -82.4 | 179.7 | 172 | 40.6 | -34.9 | 0 | 0 | 0 | 108.5 | N1433 | P1052-N1433 WeakPolarHBondContact CA-O 3.25Å; P1052-N1433 WeakPolarHBondContact CB-O 3.4Å; P1052-N1433 WeakPolarHBondContact CD-O 3.49Å | ||
| 1053 | P | 30.4 | Very low | 29.7 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | trans | -102.3 | -170.2 | -160.8 | 39.3 | -33.6 | 0 | 0 | 0 | 113.6 | ||||
| 1054 | S | 27.2 | Very low | 29.8 | Very low | 104 Ų | 104 | 104.2 Ų | 104.2 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | trans | 69.8 | 164.6 | 157.4 | 46.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1055 | E | 27.5 | Very low | 30 | Very low | 178 Ų | 178 | 107.1 Ų | 107.1 | 83% | 0.832 | 58% | 0.577 | S | S | * | * | trans | 65.6 | 125.4 | 176.1 | -50.5 | -156.7 | 152.5 | 0 | 0 | 115.9 | ||||
| 1056 | W | 26.3 | Very low | 30.3 | Very low | 99 Ų | 99 | 107.1 Ų | 107.1 | 38% | 0.375 | 57% | 0.571 | S | S | . | * | cis | 93.9 | 111.4 | 44.6 | -87.2 | 75.6 | 0 | 0 | 0 | 114.5 | L1195 W1198 A1199 | W1056-L1195 HydrophobicContact CH2-CD2 4.3Å; W1056-L1195 HydrophobicContact CZ3-CD2 4.16Å; W1056-W1198 AromaticContact CE2-CH2 3.92Å; W1056-W1198 AromaticContact CE2-CZ3 3.9Å; W1056-W1198 AromaticContact CZ2-CD2 3.62Å; W1056-W1198 HydrophobicContact CZ2-CD2 3.62Å; W1056-W1198 AromaticContact CZ2-CE2 3.63Å; W1056-W1198 AromaticContact CZ2-CE3 3.84Å; W1056-W1198 HydrophobicContact CZ2-CE3 3.84Å; W1056-W1198 HydrophobicContact CZ2-CG 4.17Å; W1056-W1198 HydrophobicContact CZ2-CH2 4.12Å; W1056-W1198 AromaticContact CZ2-CZ2 3.87Å; W1056-W1198 HydrophobicContact CZ2-CZ2 3.87Å; W1056-W1198 HydrophobicContact CZ2-CZ3 4.11Å; W1056-W1198 AromaticContact NE1-CE3 3.66Å; W1056-W1198 AromaticContact NE1-CH2 3.14Å; W1056-W1198 AromaticContact NE1-CZ2 3.75Å; W1056-W1198 AromaticContact NE1-CZ3 3.09Å; W1056-A1199 HydrophobicContact CH2-CB 3.38Å; W1056-A1199 HydrophobicContact CZ2-CB 4.45Å; W1056-A1199 HydrophobicContact CZ3-CB 3.54Å | ||
| 1057 | N | 25.2 | Very low | 30.5 | Very low | 76 Ų | 76 | 110.8 Ų | 110.8 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | trans | 69.6 | 138 | 146.4 | -81.1 | 25.9 | 0 | 0 | 0 | 125.1 | L1195 | N1057-L1195 WeakPolarHBondContact ND2-CD1 3.39Å; N1057-L1195 WeakPolarHBondContact OD1-CD2 3.43Å | ||
| 1058 | E | 29.2 | Very low | 30.8 | Very low | 115 Ų | 115 | 107.8 Ų | 107.8 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | trans | 44.6 | 106.9 | 134.1 | -60.3 | 177.6 | 118.3 | 0 | 0 | 118.8 | L1195 | E1058-L1195 VanDerWaalsContact CD-CD1 3.47Å; E1058-L1195 HydrophobicContact CG-CD1 4.25Å; E1058-L1195 WeakPolarHBondContact OE1-CD1 3.27Å; E1058-L1195 WeakPolarHBondContact OE2-CD1 3.35Å | ||
| 1059 | S | 26.3 | Very low | 31.2 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 77% | 0.769 | 58% | 0.584 | S | S | * | * | trans | -121.1 | 127.7 | 161.8 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1060 | L | 30.8 | Very low | 31.6 | Very low | 86 Ų | 86 | 110.8 Ų | 110.8 | 45% | 0.45 | 59% | 0.585 | S | S | . | * | cis | -163.1 | 152.3 | -28.2 | -131.9 | 143 | 0 | 0 | 0 | 111.8 | T1426 V1427 | L1060-T1426 HydrophobicContact CB-CG2 4.12Å; L1060-T1426 WeakPolarHBondContact O-CG2 3.5Å; L1060-V1427 HydrophobicContact CB-CG2 3.57Å; L1060-V1427 HydrophobicContact CD1-CG2 3.97Å; L1060-V1427 HydrophobicContact CG-CG2 4.38Å | ||
| 1061 | A | 32.5 | Very low | 32.1 | Very low | 68 Ų | 68 | 116.8 Ų | 116.8 | 56% | 0.562 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -171.3 | 128.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | T1426 | A1061-T1426 HydrophobicContact CB-CG2 4.25Š|
| 1062 | E | 36.3 | Very low | 32.6 | Very low | 59 Ų | 59 | 119 Ų | 119 | 28% | 0.276 | 63% | 0.63 | S | S | . | * | S | Bend | cis | -162 | 59.1 | 26.3 | -160.9 | 96 | -173 | 0 | 0 | 117.8 | Q1424 R1425 | E1062-Q1424 CarbonylContact O-C 3.56Å; E1062-Q1424 VanDerWaalsContact O-C 3.31Å; E1062-Q1424 PolarHBondContact O-N 3.34Å; E1062-Q1424 PolarHBondContact OE1-NE2 3.3Å; E1062-R1425 CarbonylContact C-O 3.17Å; E1062-R1425 WeakPolarHBondContact CA-O 3.47Å; E1062-R1425 WeakPolarHBondContact OE1-CA 3.19Å; E1062-R1425 IonicContact OE1-CZ 3.59Å; E1062-R1425 IonicContact OE1-NE 2.76Å; E1062-R1425 PolarHBondContact OE1-NE 2.88Å; E1062-R1425 IonicContact OE1-NH2 3.57Å; E1062-R1425 IonicContact OE2-CZ 3.44Å; E1062-R1425 IonicContact OE2-NE 3.4Å; E1062-R1425 PolarHBondContact OE2-NE 3.14Å; E1062-R1425 IonicContact OE2-NH2 2.69Å; E1062-R1425 PolarHBondContact OE2-NH2 2.98Å |
| 1063 | Y | 35.1 | Very low | 33.2 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 49% | 0.494 | 64% | 0.641 | S | S | . | * | trans | 63.1 | 165.1 | 164.1 | -87.5 | -12.8 | 0 | 0 | 0 | 122.2 | Q1424 R1425 T1426 V1427 | Y1063-Q1424 WeakPolarHBondContact CB-O 3.26Å; Y1063-R1425 VanDerWaalsContact CB-N 3.3Å; Y1063-R1425 WeakPolarHBondContact CB-O 3.43Å; Y1063-R1425 VanDerWaalsContact CD2-CA 3.5Å; Y1063-R1425 HydrophobicContact CD2-CB 3.73Å; Y1063-R1425 HydrophobicContact CE2-CB 3.94Å; Y1063-R1425 PolarHBondContact N-O 3.06Å; Y1063-T1426 WeakPolarHBondContact CE1-O 3.36Å; Y1063-T1426 VanDerWaalsContact CZ-C 3.44Å; Y1063-T1426 VanDerWaalsContact CZ-O 3.29Å; Y1063-T1426 PolarHBondContact OH-O 2.8Å; Y1063-T1426 VanDerWaalsContact OH-O 3.07Å; Y1063-V1427 WeakPolarHBondContact CE1-O 3.39Å; Y1063-V1427 PolarHBondContact OH-O 2.84Å | ||
| 1064 | D | 34.2 | Very low | 33.7 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | cis | -172.3 | 165.7 | -20.3 | -172.7 | 25 | 0 | 0 | 0 | 113.1 | ||||
| 1065 | K | 37 | Very low | 34.4 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 70% | 0.704 | 65% | 0.646 | S | S | * | * | trans | 78.4 | 115.4 | 163.9 | -52.8 | -152.2 | 177 | -170.9 | 0 | 120.1 | ||||
| 1066 | I | 35.5 | Very low | 34.9 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 68% | 0.677 | 64% | 0.641 | S | S | * | * | 85.9 | 140.6 | 70.4 | -75.3 | 166.5 | 0 | 0 | 0 | 111.5 | |||||
| 1067 | E | 34.5 | Very low | 35.3 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | cis | -141 | -136.4 | 40.8 | -154.2 | 110.1 | -123.9 | 0 | 0 | 116.4 | ||||
| 1068 | N | 33.9 | Very low | 35.9 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 68% | 0.684 | 67% | 0.666 | S | S | * | * | trans | -139.8 | -178.1 | -148.7 | -67 | -44.2 | 0 | 0 | 0 | 117.4 | ||||
| 1069 | L | 38.4 | Very low | 36.4 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 81% | 0.806 | 68% | 0.683 | S | S | * | * | trans | 82.1 | 146.8 | 165.6 | -42.9 | 179.8 | 0 | 0 | 0 | 116.2 | ||||
| 1070 | D | 38.4 | Very low | 37 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | cis | -142 | 164 | 5.9 | -53.4 | -90.1 | 0 | 0 | 0 | 111.1 | ||||
| 1071 | D | 38.5 | Very low | 37.3 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 86% | 0.856 | 70% | 0.698 | S | S | * | * | trans | -135.9 | -118.5 | -173.5 | -68.6 | -83.7 | 0 | 0 | 0 | 117.5 | ||||
| 1072 | D | 39.9 | Very low | 37.4 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | 68.4 | 148.9 | 178.7 | -53.8 | -0.2 | 0 | 0 | 0 | 119.6 | ||||
| 1073 | D | 41.1 | Very low | 37.4 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | cis | -169.6 | 176.9 | -23.9 | -106.8 | -18.7 | 0 | 0 | 0 | 113.5 | ||||
| 1074 | D | 40.5 | Very low | 37.1 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | 63.8 | 144 | 160.4 | -58.8 | -25.4 | 0 | 0 | 0 | 122.3 | ||||
| 1075 | D | 41 | Very low | 37 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | cis | -156.2 | -142 | -24.2 | -160.5 | 15.7 | 0 | 0 | 0 | 108.4 | ||||
| 1076 | E | 39 | Very low | 36.8 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | cis | -158.3 | 174.1 | 7.8 | -143.3 | -146.3 | -56.3 | 0 | 0 | 113.9 | ||||
| 1077 | N | 34.9 | Very low | 36.5 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | trans | -41.1 | 160.4 | 176.1 | -64.4 | -52 | 0 | 0 | 0 | 120.4 | ||||
| 1078 | A | 37.3 | Very low | 36.2 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 63% | 0.628 | 73% | 0.732 | S | S | * | * | cis | -164.4 | -169.7 | -11 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1079 | D | 38.7 | Very low | 35.9 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | cis | -138.5 | -151.5 | 8.7 | -64.8 | -82.2 | 0 | 0 | 0 | 110.3 | ||||
| 1080 | D | 38.5 | Very low | 35.4 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | trans | -141.1 | -85.3 | -177.9 | -171.9 | -98.3 | 0 | 0 | 0 | 117.9 | N1082 | D1080-N1082 WeakPolarHBondContact OD1-CA 3.36Å; D1080-N1082 PolarHBondContact OD1-N 2.9Å | ||
| 1081 | D | 38.4 | Very low | 34.9 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | trans | 60.5 | 48 | -170.3 | -87.1 | 0.2 | 0 | 0 | 0 | 118.1 | ||||
| 1082 | N | 34.5 | Very low | 34.3 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 53% | 0.529 | 72% | 0.721 | S | S | . | * | 53.1 | 158.5 | 110.3 | -143.9 | -1.5 | 0 | 0 | 0 | 123.8 | D1080 | D1080-N1082 WeakPolarHBondContact OD1-CA 3.36Å; D1080-N1082 PolarHBondContact OD1-N 2.9Å | |||
| 1083 | H | 34.9 | Very low | 33.7 | Very low | 158 Ų | 158 | 134 Ų | 134 | 73% | 0.731 | 72% | 0.721 | S | S | * | * | trans | 68.9 | 144 | 173.7 | -51.5 | -72.3 | 0 | 0 | 0 | 117.5 | ||||
| 1084 | G | 30.2 | Very low | 33.1 | Very low | 52 Ų | 52 | 134.5 Ų | 134.5 | 54% | 0.536 | 72% | 0.723 | S | S | . | * | cis | -167.2 | 167.8 | -10 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1085 | E | 31.9 | Very low | 32.4 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | 62.5 | 142.9 | 157.5 | -66.4 | 152.6 | -133.8 | 0 | 0 | 120.3 | ||||
| 1086 | D | 32 | Very low | 31.7 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | cis | -165.2 | 161.3 | -26.8 | -117 | 6.9 | 0 | 0 | 0 | 112.6 | ||||
| 1087 | N | 29.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | trans | 32.3 | 152 | 133.3 | -58.6 | -22.5 | 0 | 0 | 0 | 121.5 | ||||
| 1088 | E | 28.1 | Very low | 30.8 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | cis | -167 | -154 | -4.8 | 169.3 | 156.8 | -148.5 | 0 | 0 | 108.6 | ||||
| 1089 | F | 28.6 | Very low | 30.3 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 81.8 | 127.8 | -177.2 | -79.3 | -107.1 | 0 | 0 | 0 | 117.5 | ||||
| 1090 | D | 28 | Very low | 29.7 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 55% | 0.551 | 72% | 0.724 | S | S | * | * | cis | -160.6 | 165.4 | -18.8 | -151.2 | -3.4 | 0 | 0 | 0 | 112.5 | F1092 | D1090-F1092 WeakPolarHBondContact OD1-CD2 3.09Å; D1090-F1092 WeakPolarHBondContact OD1-CE2 3.43Å | ||
| 1091 | A | 27.5 | Very low | 29 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -145 | 65.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1092 | F | 26.4 | Very low | 28.6 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | -131 | 166.2 | 178.5 | -64.5 | -74.2 | 0 | 0 | 0 | 113.3 | D1090 | D1090-F1092 WeakPolarHBondContact OD1-CD2 3.09Å; D1090-F1092 WeakPolarHBondContact OD1-CE2 3.43Å | ||
| 1093 | P | 27.4 | Very low | 28.2 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | -132.8 | -129.2 | -61.4 | 39.9 | -23.4 | 0 | 0 | 0 | 112.1 | |||||
| 1094 | L | 26.6 | Very low | 27.7 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | -94.7 | 171.8 | -169.6 | -133.7 | 69.3 | 0 | 0 | 0 | 113.3 | ||||
| 1095 | D | 25.8 | Very low | 27.5 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | 65 | 99.9 | 153.5 | -60.7 | -21.8 | 0 | 0 | 0 | 121.6 | ||||
| 1096 | D | 28.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | trans | -162.6 | 117 | 132.5 | -108.5 | -19.7 | 0 | 0 | 0 | 106.2 | ||||
| 1097 | V | 28.2 | Very low | 26.9 | Very low | 110 Ų | 110 | 130 Ų | 130 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | 53.5 | 104.5 | 59 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1098 | L | 26 | Very low | 26.7 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | -129.7 | 151.6 | 65 | -79.8 | 161.6 | 0 | 0 | 0 | 115.5 | |||||
| 1099 | S | 25.8 | Very low | 26.5 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | trans | -89.9 | 144.3 | 179.3 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1100 | V | 27.6 | Very low | 26.4 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -121.8 | 105.6 | 148.2 | -180 | 0 | 0 | 0 | 0 | 108.2 | V1102 | V1100-V1102 HydrophobicContact CG1-CG2 4.28Å; V1100-V1102 PolarHBondContact O-N 2.83Å | ||
| 1101 | N | 24.2 | Very low | 26.2 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -76.6 | 111.7 | 174.4 | -86.3 | -35 | 0 | 0 | 0 | 110.2 | ||||
| 1102 | V | 28.9 | Very low | 26.2 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -125.1 | 62.8 | 155.9 | -167.7 | 0 | 0 | 0 | 0 | 109.4 | V1100 N1104 | V1100-V1102 HydrophobicContact CG1-CG2 4.28Å; V1100-V1102 PolarHBondContact O-N 2.83Å; V1102-N1104 VanDerWaalsContact C-N 3.29Å; V1102-N1104 PolarHBondContact O-N 2.81Å | ||
| 1103 | T | 26.2 | Very low | 26.2 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | trans | -74.8 | 85.5 | 161.3 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1104 | N | 24.4 | Very low | 26.1 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -141.6 | 112.1 | 161 | -115.8 | -21.6 | 0 | 0 | 0 | 109.3 | V1102 V1106 | V1102-N1104 VanDerWaalsContact C-N 3.29Å; V1102-N1104 PolarHBondContact O-N 2.81Å; N1104-V1106 PolarHBondContact O-N 3.34Å | ||
| 1105 | P | 26.4 | Very low | 26.2 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | trans | -69.4 | 113.3 | 167.6 | 29 | -29.8 | 0 | 0 | 0 | 107.4 | T1107 | P1105-T1107 PolarHBondContact O-N 3.23Å; P1105-T1107 PolarHBondContact O-OG1 3.43Å | ||
| 1106 | V | 26.8 | Very low | 26.2 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -69.9 | 75.6 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | N1104 F1108 | N1104-V1106 PolarHBondContact O-N 3.34Å; V1106-F1108 HydrophobicContact CG1-CD2 4.16Å; V1106-F1108 HydrophobicContact CG1-CE2 4.26Å; V1106-F1108 PolarHBondContact O-N 3.01Å | ||
| 1107 | T | 24.4 | Very low | 26.2 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 63% | 0.632 | 74% | 0.738 | S | S | * | * | trans | -72.9 | 107.3 | 167.5 | -50.9 | 0 | 0 | 0 | 0 | 105 | P1105 Q1109 | P1105-T1107 PolarHBondContact O-N 3.23Å; P1105-T1107 PolarHBondContact O-OG1 3.43Å; T1107-Q1109 PolarHBondContact O-N 3.36Å | ||
| 1108 | F | 25.2 | Very low | 26.1 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -67.7 | 78.9 | 172.8 | -109.3 | -79.6 | 0 | 0 | 0 | 109.5 | V1106 M1110 | V1106-F1108 HydrophobicContact CG1-CD2 4.16Å; V1106-F1108 HydrophobicContact CG1-CE2 4.26Å; V1106-F1108 PolarHBondContact O-N 3.01Å; F1108-M1110 VanDerWaalsContact C-N 3.31Å; F1108-M1110 PolarHBondContact O-N 2.82Å | ||
| 1109 | Q | 23.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 66% | 0.659 | 73% | 0.733 | S | S | * | * | trans | -82.5 | 78.2 | -174.3 | -167.4 | -175 | 9.8 | 0 | 0 | 109.7 | T1107 N1111 | T1107-Q1109 PolarHBondContact O-N 3.36Å; Q1109-N1111 VanDerWaalsContact CD-ND2 3.28Å; Q1109-N1111 PolarHBondContact NE2-ND2 2.97Å; Q1109-N1111 VanDerWaalsContact NE2-ND2 3.14Å; Q1109-N1111 PolarHBondContact O-N 2.78Å | ||
| 1110 | M | 26.1 | Very low | 26.4 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 93% | 0.926 | 74% | 0.739 | S | S | * | * | trans | -73.7 | 68.7 | 173.2 | -154.9 | 174.7 | -164.9 | 0 | 0 | 111.3 | F1108 | F1108-M1110 VanDerWaalsContact C-N 3.31Å; F1108-M1110 PolarHBondContact O-N 2.82Å | ||
| 1111 | N | 25 | Very low | 26.3 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 53% | 0.529 | 74% | 0.738 | S | S | . | * | trans | -58.5 | 152.8 | 145.7 | -65.8 | -45.5 | 0 | 0 | 0 | 107.4 | Q1109 | Q1109-N1111 VanDerWaalsContact CD-ND2 3.28Å; Q1109-N1111 PolarHBondContact NE2-ND2 2.97Å; Q1109-N1111 VanDerWaalsContact NE2-ND2 3.14Å; Q1109-N1111 PolarHBondContact O-N 2.78Å | ||
| 1112 | H | 27.5 | Very low | 26.6 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | cis | -158.7 | 166.8 | 25.2 | -147 | 23.4 | 0 | 0 | 0 | 111.5 | ||||
| 1113 | L | 27 | Very low | 26.4 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | 42.7 | 101 | 156.4 | -65.1 | 163.2 | 0 | 0 | 0 | 118.8 | ||||
| 1114 | M | 24.3 | Very low | 26.4 | Very low | 147 Ų | 147 | 148 Ų | 148 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | 56.4 | 120.3 | 92.3 | -72.2 | -149 | -162.6 | 0 | 0 | 117.5 | |||||
| 1115 | N | 28.7 | Very low | 26.5 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 91% | 0.914 | 74% | 0.741 | S | S | * | * | -145.5 | 154.2 | 117.9 | -128.4 | -36 | 0 | 0 | 0 | 112.8 | |||||
| 1116 | K | 26.2 | Very low | 26.6 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -113 | 143 | -170.5 | -65.6 | 175.1 | -179 | 172.2 | 0 | 113.2 | ||||
| 1117 | R | 28.7 | Very low | 26.7 | Very low | 236 Ų | 236 | 149.1 Ų | 149.1 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | trans | -162.1 | 122.9 | 134.9 | -101.4 | 150.2 | -174.4 | -172.8 | 1.2 | 107 | ||||
| 1118 | I | 25.9 | Very low | 26.9 | Very low | 135 Ų | 135 | 150 Ų | 150 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | 59.9 | 109 | 60.3 | -50 | 161.6 | 0 | 0 | 0 | 107.5 | |||||
| 1119 | V | 29.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | -145.6 | 159.5 | 67.9 | 170.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 1120 | M | 27.9 | Very low | 27.5 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | -49.1 | 147.7 | 178.8 | -58.8 | 167.8 | -81 | 0 | 0 | 120.1 | ||||
| 1121 | K | 24.5 | Very low | 27.8 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | 29.6 | 124.8 | 126.4 | -55.8 | 174.6 | 173.7 | 177.5 | 0 | 120.7 | |||||
| 1122 | H | 30.2 | Very low | 28 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | 176.5 | 138 | 114.6 | -106.4 | -117.4 | 0 | 0 | 0 | 106.5 | |||||
| 1123 | K | 25.8 | Very low | 28.1 | Very low | 170 Ų | 170 | 141 Ų | 141 | 74% | 0.739 | 71% | 0.71 | S | S | * | * | cis | 105.1 | 97.7 | 22.8 | -160 | -146.7 | 175.1 | -172.4 | 0 | 113.4 | ||||
| 1124 | S | 25.3 | Very low | 28.2 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | 69.8 | 164 | 150.7 | 59.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1125 | V | 28 | Very low | 28.4 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | trans | 79.3 | 110 | 174.8 | -167.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1126 | V | 27.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | cis | 94.1 | 146.9 | 42.3 | 173.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1127 | D | 30.1 | Very low | 28.7 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | 71 | 152.1 | 176.2 | -71.2 | -39.7 | 0 | 0 | 0 | 118.4 | ||||
| 1128 | N | 28.3 | Very low | 28.8 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 65% | 0.647 | 70% | 0.702 | S | S | * | * | cis | -167.2 | 178.3 | -37.8 | -140.5 | -46.8 | 0 | 0 | 0 | 109.9 | ||||
| 1129 | N | 30.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 70% | 0.699 | S | S | * | * | trans | 74.3 | 130.8 | 151.9 | -70.6 | -43.2 | 0 | 0 | 0 | 123.4 | ||||
| 1130 | N | 30.9 | Very low | 28.8 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | trans | 91.9 | 108.6 | 132.4 | -75.1 | -32.7 | 0 | 0 | 0 | 124.9 | ||||
| 1131 | K | 32.2 | Very low | 28.8 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | 82.4 | 95.1 | 120 | -67 | 167.3 | -177.7 | 158.4 | 0 | 122.8 | |||||
| 1132 | N | 29.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | 69 | 171.2 | 120.8 | -67.5 | 2.6 | 0 | 0 | 0 | 122.5 | |||||
| 1133 | I | 30.3 | Very low | 29.4 | Very low | 59 Ų | 59 | 126.8 Ų | 126.8 | 30% | 0.303 | 68% | 0.682 | S | S | . | * | trans | 103.9 | 110 | 153.3 | -54.3 | 110.9 | 0 | 0 | 0 | 118.6 | V1155 G1156 | I1133-V1155 HydrophobicContact CD1-CG1 3.99Å; I1133-G1156 VanDerWaalsContact CD1-N 3.34Å; I1133-G1156 WeakPolarHBondContact CG2-O 3.43Å | ||
| 1134 | L | 28.9 | Very low | 29.3 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | 19.2 | 152.1 | 129.4 | -53.6 | 165.4 | 0 | 0 | 0 | 120.3 | |||||
| 1135 | S | 27.6 | Very low | 29.3 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | cis | 179.9 | 159 | -16.5 | 55.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1136 | A | 30.2 | Very low | 29.3 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | trans | 70.4 | 157 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1137 | N | 30.5 | Very low | 29.2 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | cis | -154.2 | 148.7 | 4.1 | -138.6 | -13.6 | 0 | 0 | 0 | 112.2 | ||||
| 1138 | H | 30.9 | Very low | 29.1 | Very low | 153 Ų | 153 | 123 Ų | 123 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | 39.8 | 139 | 143.3 | -91.8 | -134.5 | 0 | 0 | 0 | 122.3 | ||||
| 1139 | L | 28.1 | Very low | 29.2 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | cis | -175.9 | 138.1 | 3 | -170.5 | 64.6 | 0 | 0 | 0 | 113.2 | ||||
| 1140 | I | 28.5 | Very low | 29.1 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | trans | 56.7 | 135.7 | 151.7 | -72.2 | 172.9 | 0 | 0 | 0 | 118.6 | ||||
| 1141 | K | 28.2 | Very low | 29.1 | Very low | 180 Ų | 180 | 123.8 Ų | 123.8 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | cis | -169.8 | 178.2 | -4.3 | -109.3 | -174.1 | 146.7 | -84.5 | 0 | 105.9 | ||||
| 1142 | S | 31.9 | Very low | 29 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 51% | 0.51 | 71% | 0.713 | S | S | . | * | cis | 166.1 | 170.6 | -38.3 | 65.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1143 | Q | 34.1 | Very low | 29 | Very low | 162 Ų | 162 | 123 Ų | 123 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | -173.7 | 163.2 | -66.6 | -106.9 | -179.8 | -14.2 | 0 | 0 | 107.1 | |||||
| 1144 | V | 25 | Very low | 29.1 | Very low | 146 Ų | 146 | 125 Ų | 125 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | cis | -134.2 | 127.7 | 42.8 | -178.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1145 | S | 25.4 | Very low | 29.2 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | trans | -159.9 | 141.1 | 168.6 | 45 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1146 | S | 26.5 | Very low | 29.4 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | 46 | 131.4 | 152.4 | 57.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1147 | S | 26.7 | Very low | 29.5 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | 70.8 | 108.7 | 134.8 | 60.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1148 | T | 27.6 | Very low | 29.6 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | 76.1 | 137.2 | 119.6 | -30.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1149 | T | 29.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 88 | 91 | 149.8 | 20.4 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1150 | T | 28.4 | Very low | 29.7 | Very low | 120 Ų | 120 | 115 Ų | 115 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | 49.5 | 125 | 126.4 | 59 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 1151 | T | 31.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 114 Ų | 114 | 87% | 0.871 | 72% | 0.723 | S | S | * | * | 175.2 | -179.8 | 116.1 | 32.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1152 | N | 29.5 | Very low | 29.8 | Very low | 154 Ų | 154 | 112.3 Ų | 112.3 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -124 | 171.7 | -148.3 | -74.4 | -16.9 | 0 | 0 | 0 | 120.1 | ||||
| 1153 | C | 30.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 102.8 | 161.5 | 150.8 | -66.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1154 | S | 30.8 | Very low | 29.4 | Very low | 103 Ų | 103 | 111.3 Ų | 111.3 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | cis | 166.9 | 148.3 | -26 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1155 | V | 31.4 | Very low | 29.5 | Very low | 118 Ų | 118 | 110.4 Ų | 110.4 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | cis | -161.5 | 154.8 | -13.9 | -164.4 | 0 | 0 | 0 | 0 | 110.1 | I1133 | I1133-V1155 HydrophobicContact CD1-CG1 3.99Š| ||
| 1156 | G | 32 | Very low | 29.9 | Very low | 43 Ų | 43 | 115 Ų | 115 | 44% | 0.443 | 73% | 0.731 | S | S | . | * | trans | 114.9 | 143.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | I1133 | I1133-G1156 VanDerWaalsContact CD1-N 3.34Å; I1133-G1156 WeakPolarHBondContact CG2-O 3.43Å | ||
| 1157 | S | 32.1 | Very low | 30 | Very low | 92 Ų | 92 | 116.1 Ų | 116.1 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | cis | -168.5 | 168.5 | -23.7 | 79.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1158 | S | 31.9 | Very low | 30.3 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | 74.6 | 160.5 | 157.7 | 78.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1159 | A | 31.3 | Very low | 30.4 | Very low | 89 Ų | 89 | 116.9 Ų | 116.9 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | cis | -173.3 | 166.3 | -32 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1160 | A | 29.5 | Very low | 30.5 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 72.3 | 153.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1161 | T | 28.5 | Very low | 30.7 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | cis | -167 | 171.4 | -14.4 | 21.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1162 | N | 30.9 | Very low | 30.8 | Very low | 145 Ų | 145 | 116.5 Ų | 116.5 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | 80.4 | 149.3 | 159.1 | -64 | -9.1 | 0 | 0 | 0 | 119.6 | ||||
| 1163 | S | 28 | Very low | 30.9 | Very low | 96 Ų | 96 | 115.4 Ų | 115.4 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | cis | 173 | 177.2 | -35.6 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1164 | V | 30.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | trans | 89.6 | 99 | 178.1 | -174 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1165 | N | 27.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 115.5 Ų | 115.5 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | 68.5 | 135 | 75.7 | -55.8 | -0.7 | 0 | 0 | 0 | 111.4 | |||||
| 1166 | Q | 32.4 | Very low | 30.9 | Very low | 182 Ų | 182 | 115.3 Ų | 115.3 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | cis | -146.9 | 176.2 | 39.2 | -69.9 | 170.9 | -2.6 | 0 | 0 | 110 | ||||
| 1167 | N | 29.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | cis | 168.2 | 108.6 | -34 | -93.4 | 10.4 | 0 | 0 | 0 | 106.3 | ||||
| 1168 | S | 31.9 | Very low | 30.7 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 175.2 | 119.1 | 147.1 | 25.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1169 | N | 30.1 | Very low | 30.4 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | 72.6 | 130.5 | 59.7 | -64.6 | 36.8 | 0 | 0 | 0 | 110.6 | |||||
| 1170 | D | 32.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | cis | -134.4 | 147.7 | 19 | -84 | -62.7 | 0 | 0 | 0 | 111.1 | ||||
| 1171 | N | 33.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | 57.7 | 140.4 | 81.3 | -54.4 | -37.1 | 0 | 0 | 0 | 113.9 | |||||
| 1172 | D | 32.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 65% | 0.647 | 76% | 0.758 | S | S | * | * | cis | -156.7 | 141.2 | 0.2 | -109.7 | -17.4 | 0 | 0 | 0 | 109.6 | ||||
| 1173 | I | 32.2 | Very low | 30.3 | Very low | 131 Ų | 131 | 129 Ų | 129 | 67% | 0.672 | 76% | 0.756 | S | S | * | * | 65.4 | 136.5 | 93.5 | -59.2 | -176.5 | 0 | 0 | 0 | 116.4 | |||||
| 1174 | N | 30.9 | Very low | 30.3 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 82.8 | 148.1 | -177.7 | -51.3 | -65.3 | 0 | 0 | 0 | 116 | ||||
| 1175 | G | 30.1 | Very low | 30 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | 163 | 150.2 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1176 | S | 30.6 | Very low | 30 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 59.4 | 111.7 | 166.7 | 62 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1177 | S | 28.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 35.8 | 119.1 | 135.1 | 61.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1178 | S | 31 | Very low | 29.5 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | -166.5 | 165.1 | 114 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1179 | N | 27.6 | Very low | 29.2 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -78.2 | 139.7 | -175.6 | -60 | -52.4 | 0 | 0 | 0 | 113 | ||||
| 1180 | R | 28.8 | Very low | 28.9 | Very low | 250 Ų | 250 | 142.2 Ų | 142.2 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | -168.2 | 148.6 | 127.7 | -100.1 | 147.5 | -164 | -149 | 3 | 111.8 | |||||
| 1181 | N | 29.2 | Very low | 28.5 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -91.8 | 143.6 | -176.2 | -70.7 | -26.2 | 0 | 0 | 0 | 112 | ||||
| 1182 | A | 30.3 | Very low | 28.2 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -144.7 | 90.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1183 | G | 29.1 | Very low | 28 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -101.2 | 123.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1185 | G1183-K1185 PolarHBondContact O-N 3.28Å; G1183-K1185 VanDerWaalsContact O-N 3.15Å | ||
| 1184 | K | 26.9 | Very low | 27.8 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | trans | -73.8 | 99.2 | 164.9 | -72.2 | -172.7 | 176.4 | -177 | 0 | 109.4 | ||||
| 1185 | K | 25.5 | Very low | 27.7 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | -69.5 | 151.7 | 166.5 | -73 | 179.2 | 177.4 | 174.8 | 0 | 110.1 | G1183 | G1183-K1185 PolarHBondContact O-N 3.28Å; G1183-K1185 VanDerWaalsContact O-N 3.15Å | ||
| 1186 | P | 26.1 | Very low | 27.6 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -70.5 | 124.8 | 157.4 | 30.4 | -31.7 | 0 | 0 | 0 | 109.3 | F1188 | P1186-F1188 HydrophobicContact CB-CD2 4.28Å; P1186-F1188 HydrophobicContact CB-CE2 4.11Å; P1186-F1188 HydrophobicContact CG-CD2 4.18Å; P1186-F1188 HydrophobicContact CG-CE2 3.88Å; P1186-F1188 PolarHBondContact O-N 3.35Å; P1186-F1188 VanDerWaalsContact O-N 3.15Å | ||
| 1187 | E | 25.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | -80.9 | 91.5 | 174.4 | -67.6 | -160.4 | 154.4 | 0 | 0 | 110.8 | Y1189 | E1187-Y1189 HydrophobicContact CB-CD2 4.24Å; E1187-Y1189 HydrophobicContact CB-CE2 4.11Å; E1187-Y1189 PolarHBondContact O-N 3.42Å; E1187-Y1189 VanDerWaalsContact O-N 3.1Å; E1187-Y1189 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 1188 | F | 26 | Very low | 28 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | -71.5 | 95 | 166.9 | -79.1 | -91.9 | 0 | 0 | 0 | 110.2 | P1186 F1190 | P1186-F1188 HydrophobicContact CB-CD2 4.28Å; P1186-F1188 HydrophobicContact CB-CE2 4.11Å; P1186-F1188 HydrophobicContact CG-CD2 4.18Å; P1186-F1188 HydrophobicContact CG-CE2 3.88Å; P1186-F1188 PolarHBondContact O-N 3.35Å; P1186-F1188 VanDerWaalsContact O-N 3.15Å; F1188-F1190 PolarHBondContact O-N 3Å | ||
| 1189 | Y | 25.6 | Very low | 28.3 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | trans | -70.9 | 106.3 | 169.2 | -88.8 | -97.5 | 0 | 0 | 0 | 111 | E1187 | E1187-Y1189 HydrophobicContact CB-CD2 4.24Å; E1187-Y1189 HydrophobicContact CB-CE2 4.11Å; E1187-Y1189 PolarHBondContact O-N 3.42Å; E1187-Y1189 VanDerWaalsContact O-N 3.1Å; E1187-Y1189 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 1190 | F | 23.9 | Very low | 28.6 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | trans | -94.5 | 106.3 | 157.4 | -82.7 | -90.3 | 0 | 0 | 0 | 108.7 | F1188 | F1188-F1190 PolarHBondContact O-N 3Š| ||
| 1191 | S | 25.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -92.1 | 124 | 166.4 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1192 | V | 25.6 | Very low | 28.6 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | trans | -132.4 | 82 | -178.5 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1193 | S | 28 | Very low | 28.5 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | 175.5 | 124.4 | 168 | 47.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1194 | A | 29.5 | Very low | 28.5 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | cis | 70.7 | 73.6 | 23.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1195 | L | 27.8 | Very low | 28.6 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 38% | 0.382 | 69% | 0.692 | S | S | . | * | trans | -153 | 147.2 | 155.8 | -99.3 | 170.6 | 0 | 0 | 0 | 111.4 | W1056 N1057 E1058 | W1056-L1195 HydrophobicContact CH2-CD2 4.3Å; W1056-L1195 HydrophobicContact CZ3-CD2 4.16Å; N1057-L1195 WeakPolarHBondContact ND2-CD1 3.39Å; N1057-L1195 WeakPolarHBondContact OD1-CD2 3.43Å; E1058-L1195 VanDerWaalsContact CD-CD1 3.47Å; E1058-L1195 HydrophobicContact CG-CD1 4.25Å; E1058-L1195 WeakPolarHBondContact OE1-CD1 3.27Å; E1058-L1195 WeakPolarHBondContact OE2-CD1 3.35Å | ||
| 1196 | P | 27.7 | Very low | 28.7 | Very low | 46 Ų | 46 | 139.7 Ų | 139.7 | 30% | 0.299 | 69% | 0.692 | S | S | . | * | trans | -65.8 | 163.3 | 179.3 | -30.4 | 40.9 | 0 | 0 | 0 | 117.5 | E838 W1198 A1199 | E838-P1196 WeakPolarHBondContact OE2-CA 3.42Å; E838-P1196 WeakPolarHBondContact OE2-CB 3.31Å; P1196-W1198 VanDerWaalsContact C-N 3.29Å; P1196-W1198 HydrophobicContact CB-CG 4.44Å; P1196-W1198 PolarHBondContact O-N 3.31Å; P1196-A1199 VanDerWaalsContact O-CB 3.31Å; P1196-A1199 WeakPolarHBondContact O-CB 3.39Å; P1196-A1199 PolarHBondContact O-N 3.36Å | ||
| 1197 | A | 30 | Very low | 28.8 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -7.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E838 A1199 | E838-A1197 PolarHBondContact OE2-N 2.91Å; A1197-A1199 VanDerWaalsContact C-N 3.25Å; A1197-A1199 PolarHBondContact O-N 2.85Å |
| 1198 | W | 39.1 | Very low | 28.8 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 8.7 | 175.2 | 63.7 | -70.7 | 0 | 0 | 0 | 114.1 | W1056 P1196 | W1056-W1198 AromaticContact CE2-CH2 3.92Å; W1056-W1198 AromaticContact CE2-CZ3 3.9Å; W1056-W1198 AromaticContact CZ2-CD2 3.62Å; W1056-W1198 HydrophobicContact CZ2-CD2 3.62Å; W1056-W1198 AromaticContact CZ2-CE2 3.63Å; W1056-W1198 AromaticContact CZ2-CE3 3.84Å; W1056-W1198 HydrophobicContact CZ2-CE3 3.84Å; W1056-W1198 HydrophobicContact CZ2-CG 4.17Å; W1056-W1198 HydrophobicContact CZ2-CH2 4.12Å; W1056-W1198 AromaticContact CZ2-CZ2 3.87Å; W1056-W1198 HydrophobicContact CZ2-CZ2 3.87Å; W1056-W1198 HydrophobicContact CZ2-CZ3 4.11Å; W1056-W1198 AromaticContact NE1-CE3 3.66Å; W1056-W1198 AromaticContact NE1-CH2 3.14Å; W1056-W1198 AromaticContact NE1-CZ2 3.75Å; W1056-W1198 AromaticContact NE1-CZ3 3.09Å; P1196-W1198 VanDerWaalsContact C-N 3.29Å; P1196-W1198 HydrophobicContact CB-CG 4.44Å; P1196-W1198 PolarHBondContact O-N 3.31Å |
| 1199 | A | 35.7 | Very low | 28.7 | Very low | 33 Ų | 33 | 136.9 Ų | 136.9 | 27% | 0.273 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -78.8 | -35.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | W1056 P1196 A1197 | W1056-A1199 HydrophobicContact CH2-CB 3.38Å; W1056-A1199 HydrophobicContact CZ2-CB 4.45Å; W1056-A1199 HydrophobicContact CZ3-CB 3.54Å; P1196-A1199 VanDerWaalsContact O-CB 3.31Å; P1196-A1199 WeakPolarHBondContact O-CB 3.39Å; P1196-A1199 PolarHBondContact O-N 3.36Å; A1197-A1199 VanDerWaalsContact C-N 3.25Å; A1197-A1199 PolarHBondContact O-N 2.85Å |
| 1200 | R | 34.8 | Very low | 28.6 | Very low | 213 Ų | 213 | 134.3 Ų | 134.3 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -129 | 100.7 | -162.9 | -63.1 | -171.8 | -174.5 | -140.7 | -2.5 | 111.7 | ||||
| 1201 | R | 30.7 | Very low | 28.6 | Very low | 238 Ų | 238 | 133.1 Ų | 133.1 | 90% | 0.898 | 70% | 0.695 | S | S | * | * | trans | -150.7 | 163.8 | -179.7 | -122.5 | -176.6 | -173.8 | -179.7 | 3.6 | 109.6 | ||||
| 1202 | K | 27.3 | Very low | 28.8 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 85% | 0.852 | 69% | 0.693 | S | S | * | * | trans | 73.9 | 134.9 | -175.6 | -63.3 | -179.2 | -179.8 | 177.7 | 0 | 113 | ||||
| 1203 | L | 27.4 | Very low | 28.8 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | cis | -143 | 163.5 | -8.4 | -93.3 | 151.1 | 0 | 0 | 0 | 107 | R1205 | L1203-R1205 HydrophobicContact CD2-CG 3.68Š| ||
| 1204 | S | 29.9 | Very low | 28.6 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | cis | -137.7 | 133 | 19 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1205 | R | 29.1 | Very low | 28.3 | Very low | 212 Ų | 212 | 128.6 Ų | 128.6 | 80% | 0.8 | 65% | 0.652 | S | S | * | * | 56.9 | 132.7 | 101.5 | -61.2 | 171.5 | 168.8 | 163.1 | -5.4 | 113.7 | L1203 | L1203-R1205 HydrophobicContact CD2-CG 3.68Š| |||
| 1206 | R | 26.4 | Very low | 28.1 | Very low | 209 Ų | 209 | 131.2 Ų | 131.2 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | cis | -132.7 | 131.6 | 28 | -86.8 | 179.4 | 143.1 | 118 | -0.3 | 111.7 | ||||
| 1207 | E | 29.5 | Very low | 28 | Very low | 153 Ų | 153 | 133 Ų | 133 | 72% | 0.715 | 68% | 0.676 | S | S | * | * | 103.4 | 146.4 | 108.1 | -81.1 | 161 | -162.1 | 0 | 0 | 111 | |||||
| 1208 | S | 24.6 | Very low | 27.7 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | cis | -167.2 | 166.9 | -16.7 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1209 | V | 24.9 | Very low | 26.9 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | trans | 68.8 | 110.7 | 163.7 | -156.8 | 0 | 0 | 0 | 0 | 118.2 | I1211 | V1209-I1211 HydrophobicContact CG1-CD1 4.09Å; V1209-I1211 HydrophobicContact CG1-CG1 3.49Å; V1209-I1211 VanDerWaalsContact CG1-CG1 3.49Å | ||
| 1210 | T | 24 | Very low | 26.4 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | -82.3 | 129.6 | 153.1 | -59.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1211 | I | 24 | Very low | 25.9 | Very low | 134 Ų | 134 | 137 Ų | 137 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | trans | -118.7 | 111.2 | 172.1 | -56.3 | -175.2 | 0 | 0 | 0 | 109.7 | V1209 P1213 | V1209-I1211 HydrophobicContact CG1-CD1 4.09Å; V1209-I1211 HydrophobicContact CG1-CG1 3.49Å; V1209-I1211 VanDerWaalsContact CG1-CG1 3.49Å; I1211-P1213 HydrophobicContact CG2-CG 4.29Å | ||
| 1212 | T | 28.7 | Very low | 25.7 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -84.3 | 138.5 | 147.4 | 46.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1213 | P | 26.4 | Very low | 25.5 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | trans | -103.3 | 132 | 135.6 | -9.4 | 29.6 | 0 | 0 | 0 | 107.7 | I1211 F1449 | I1211-P1213 HydrophobicContact CG2-CG 4.29Å; P1213-F1449 WeakPolarHBondContact O-CZ 3.44Å | ||
| 1214 | T | 23.7 | Very low | 25.5 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 56% | 0.564 | 70% | 0.704 | S | S | * | * | 46.6 | 121.4 | 74.4 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1215 | S | 23.2 | Very low | 25.2 | Very low | 45 Ų | 45 | 133.3 Ų | 133.3 | 32% | 0.315 | 70% | 0.701 | S | S | . | * | cis | 50.5 | 65.3 | 25.9 | 82.8 | 0 | 0 | 0 | 0 | 113.6 | E1447 F1449 | S1215-E1447 VanDerWaalsContact CA-OE2 3.32Å; S1215-E1447 WeakPolarHBondContact CA-OE2 3.45Å; S1215-F1449 VanDerWaalsContact CB-CE2 3.45Å; S1215-F1449 WeakPolarHBondContact OG-CE2 3.37Å | ||
| 1216 | L | 23.3 | Very low | 25.1 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -168.2 | 78.9 | 160.5 | -111.1 | 166.5 | 0 | 0 | 0 | 111.7 | ||||
| 1217 | T | 24.8 | Very low | 25 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 52% | 0.521 | 70% | 0.702 | S | S | . | * | trans | -16.6 | 126.5 | 141.6 | 8.3 | 0 | 0 | 0 | 0 | 114.6 | E1447 | T1217-E1447 WeakPolarHBondContact CA-OE1 3.35Å; T1217-E1447 VanDerWaalsContact CB-OE1 3.27Å; T1217-E1447 WeakPolarHBondContact CB-OE1 3.39Å; T1217-E1447 WeakPolarHBondContact CG2-OE1 3.31Å; T1217-E1447 PolarHBondContact N-OE1 2.9Å; T1217-E1447 PolarHBondContact OG1-OE1 2.96Å | ||
| 1218 | Q | 23.9 | Very low | 24.8 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | trans | -150.7 | 139.3 | 140.1 | -118.8 | 171.5 | 29.7 | 0 | 0 | 112.1 | ||||
| 1219 | V | 23.5 | Very low | 24.8 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -76 | 143.4 | -177.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1220 | L | 25 | Very low | 24.8 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 90% | 0.901 | 71% | 0.713 | S | S | * | * | trans | -152.3 | 130 | 144.8 | -110.2 | 173.4 | 0 | 0 | 0 | 111.1 | ||||
| 1221 | N | 24.3 | Very low | 24.8 | Very low | 142 Ų | 142 | 123.9 Ų | 123.9 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -104.4 | 148.3 | -179.3 | -64.1 | -31.5 | 0 | 0 | 0 | 111.1 | ||||
| 1222 | S | 25 | Very low | 24.8 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -174 | 105.6 | 150.2 | 57.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1223 | E | 24.4 | Very low | 24.6 | Very low | 171 Ų | 171 | 120.8 Ų | 120.8 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | 100.2 | 150.9 | 78.6 | -88.6 | 178.5 | 177 | 0 | 0 | 112.7 | |||||
| 1224 | F | 26.1 | Very low | 24.4 | Very low | 183 Ų | 183 | 123.3 Ų | 123.3 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | trans | 88 | 74.8 | -171.8 | -69.5 | -80.8 | 0 | 0 | 0 | 115.9 | ||||
| 1225 | D | 24 | Very low | 24.5 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | 57 | 126 | 74.2 | -73.6 | -42.7 | 0 | 0 | 0 | 115.2 | |||||
| 1226 | V | 27.8 | Very low | 24.5 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | -156 | 140 | 96.5 | 143 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1227 | N | 23.5 | Very low | 24.5 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -79.9 | 155.9 | 175.5 | -73 | -82 | 0 | 0 | 0 | 112 | ||||
| 1228 | G | 25.2 | Very low | 24.4 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | 102.3 | 131.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1229 | S | 24.8 | Very low | 24.4 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -157.9 | 154.7 | 0.8 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1230 | D | 24.3 | Very low | 24.4 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | 33.3 | 130.3 | 131 | -52.9 | -27.7 | 0 | 0 | 0 | 119.3 | ||||
| 1231 | S | 24.5 | Very low | 24.7 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | cis | -168.1 | -172.6 | 6.6 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1232 | A | 24.9 | Very low | 24.6 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -50.7 | 170.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1233 | S | 23.7 | Very low | 24.6 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | cis | -150.4 | 146.7 | 24.1 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1234 | Q | 23.6 | Very low | 25.1 | Very low | 139 Ų | 139 | 110.8 Ų | 110.8 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | 30.4 | 122.8 | 98.3 | -54.7 | -168.3 | 15.9 | 0 | 0 | 117.9 | |||||
| 1235 | T | 24.1 | Very low | 25 | Very low | 129 Ų | 129 | 108.9 Ų | 108.9 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | 176.3 | 142.3 | 135.8 | 29.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1236 | S | 23.6 | Very low | 25.1 | Very low | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 71% | 0.713 | S | S | . | * | cis | 79.8 | 130.8 | 18.5 | 91.5 | 0 | 0 | 0 | 0 | 114.8 | R1357 | S1236-R1357 VanDerWaalsContact CB-CZ 3.41Å; S1236-R1357 VanDerWaalsContact CB-NH2 3.34Å; S1236-R1357 PolarHBondContact OG-NH1 3.09Å | ||
| 1237 | V | 23.1 | Very low | 24.9 | Very low | 121 Ų | 121 | 108 Ų | 108 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | cis | -149.4 | 146.5 | 16.5 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1238 | G | 23.6 | Very low | 24.9 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | 69.3 | 177.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1239 | S | 22.8 | Very low | 24.8 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | cis | -161.1 | 89.1 | -19.9 | -89.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1240 | G | 25.1 | Very low | 24.7 | Very low | 78 Ų | 78 | 115 Ų | 115 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 58.7 | -158.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1241 | P | 29.5 | Very low | 24.7 | Very low | 93 Ų | 93 | 111.6 Ų | 111.6 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | cis | -135.7 | 179.9 | -28.2 | 39.2 | -24.1 | 0 | 0 | 0 | 113 | ||||
| 1242 | I | 23.3 | Very low | 24.7 | Very low | 86 Ų | 86 | 111.3 Ų | 111.3 | 44% | 0.441 | 72% | 0.723 | S | S | . | * | trans | 66.2 | 138.6 | 143.7 | -80.6 | 163.4 | 0 | 0 | 0 | 118.3 | ||||
| 1243 | L | 25.5 | Very low | 24.7 | Very low | 108 Ų | 108 | 115 Ų | 115 | 57% | 0.565 | 73% | 0.725 | S | S | * | * | cis | -154.6 | 171.4 | -3 | -99.5 | 167.3 | 0 | 0 | 0 | 108.6 | ||||
| 1244 | P | 33.9 | Very low | 24.8 | Very low | 110 Ų | 110 | 117.6 Ų | 117.6 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | trans | -94.4 | 169.7 | 178 | 39 | -35 | 0 | 0 | 0 | 114.2 | ||||
| 1245 | V | 23.4 | Very low | 24.8 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | -140.6 | 143 | 167 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1246 | S | 26.6 | Very low | 24.9 | Very low | 103 Ų | 103 | 117.5 Ų | 117.5 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | -119.1 | 151.3 | 178.4 | -45.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1247 | T | 24.4 | Very low | 25.2 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | -131.3 | 114.1 | 156.9 | 41.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1248 | R | 22.8 | Very low | 25.4 | Very low | 233 Ų | 233 | 120.7 Ų | 120.7 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | 59.4 | 105.3 | 53.4 | -76 | -166.1 | 170.2 | -165.6 | -0.5 | 114.7 | |||||
| 1249 | C | 23.2 | Very low | 25.5 | Very low | 126 Ų | 126 | 128 Ų | 128 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | 170 | 153.4 | 124.5 | -90.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1250 | S | 23.8 | Very low | 25.6 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | cis | -176.2 | 127.7 | -24.2 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1251 | G | 24 | Very low | 25.6 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | 78.8 | 162.4 | 169 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1252 | S | 24.4 | Very low | 25.5 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | cis | -170.3 | 134.3 | -8.6 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1253 | H | 24.5 | Very low | 25.7 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 62.4 | 157 | 159.1 | -76.5 | -135.4 | 0 | 0 | 0 | 116.6 | ||||
| 1254 | E | 24.6 | Very low | 25.6 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | cis | -150.2 | 159.8 | 12.9 | -141.3 | 142.5 | -129.3 | 0 | 0 | 113.3 | ||||
| 1255 | T | 23.8 | Very low | 25.4 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | -3.5 | 132.7 | 164.1 | 53 | 0 | 0 | 0 | 0 | 121 | ||||
| 1256 | I | 26.7 | Very low | 25.5 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | 57.7 | 131.5 | 75.4 | -68.7 | 173.8 | 0 | 0 | 0 | 112.5 | |||||
| 1257 | P | 29.4 | Very low | 25.5 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -139.9 | 177 | 33.1 | 35.6 | -14.1 | 0 | 0 | 0 | 118.9 | Y1259 | P1257-Y1259 HydrophobicContact CG-CE2 4.5Š| ||
| 1258 | N | 27.5 | Very low | 25.5 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -58.2 | 159.6 | 159.2 | -59.2 | -52.3 | 0 | 0 | 0 | 113 | ||||
| 1259 | Y | 25.6 | Very low | 25.6 | Very low | 222 Ų | 222 | 130.5 Ų | 130.5 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -138.7 | 149.2 | 147.4 | -100.7 | -80.3 | 0 | 0 | 0 | 112.4 | P1257 | P1257-Y1259 HydrophobicContact CG-CE2 4.5Š| ||
| 1260 | V | 25 | Very low | 25.8 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 61% | 0.606 | 77% | 0.769 | S | S | * | * | trans | -134.9 | 177.1 | -174.9 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1261 | Y | 24.7 | Very low | 25.9 | Very low | 208 Ų | 208 | 131 Ų | 131 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 85.8 | 166.3 | 166 | -51.1 | -71.6 | 0 | 0 | 0 | 116.8 | ||||
| 1262 | P | 27.9 | Very low | 26.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | -137.7 | -172 | -55.1 | 40.5 | -25.7 | 0 | 0 | 0 | 113.4 | |||||
| 1263 | L | 27.7 | Very low | 26.3 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 148.1 | 169.6 | -69.2 | 80.6 | 0 | 0 | 0 | 113.1 | ||||
| 1264 | S | 24.5 | Very low | 26.5 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -173.7 | 175.9 | 137.9 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1265 | S | 27.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -142.6 | 137.4 | -158.6 | 61.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1266 | S | 26.3 | Very low | 26.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -177.5 | 120.8 | 152.9 | 47 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1267 | V | 26 | Very low | 26.7 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 55% | 0.552 | 79% | 0.792 | S | S | * | * | 64.4 | 101.2 | 65.5 | -172.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1268 | T | 25.5 | Very low | 26.4 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | -153.5 | 171.7 | 130.6 | -10.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1269 | A | 25.3 | Very low | 26.3 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -129.7 | 157.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1270 | A | 27.2 | Very low | 26.3 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -146.3 | 141.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1271 | N | 25.9 | Very low | 26.4 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | -101.3 | 153 | -178.8 | -84.5 | -84.4 | 0 | 0 | 0 | 111.9 | ||||
| 1272 | R | 28.8 | Very low | 26.4 | Very low | 249 Ų | 249 | 147.8 Ų | 147.8 | 94% | 0.94 | 81% | 0.807 | S | S | * | * | -168.3 | 161.2 | 117.1 | -101.5 | 156 | -170.8 | -164.1 | 2.2 | 113.5 | |||||
| 1273 | K | 27.8 | Very low | 26.4 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | -133.2 | 173.4 | -173.8 | -79.3 | -175.9 | 173.4 | 178.8 | 0 | 110.5 | ||||
| 1274 | S | 27.9 | Very low | 26.4 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 93.5 | 155.6 | 145.6 | 91.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1275 | K | 26 | Very low | 26.6 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | cis | -158.5 | 162 | 3.4 | -140 | 159.5 | -170 | 179.3 | 0 | 113.4 | ||||
| 1276 | F | 26.2 | Very low | 26.7 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | -33.8 | 153.3 | 164.1 | -72.7 | -105.6 | 0 | 0 | 0 | 118.3 | ||||
| 1277 | T | 26.9 | Very low | 26.8 | Very low | 150 Ų | 150 | 147 Ų | 147 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | -154.6 | 167.1 | 124.1 | 11.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 1278 | R | 23 | Very low | 27 | Very low | 212 Ų | 212 | 149 Ų | 149 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -149.1 | 128.6 | -167.8 | 173.2 | -162.8 | -173.3 | -169.4 | 8.4 | 111 | ||||
| 1279 | V | 27.3 | Very low | 27.2 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -135.8 | 163 | 171.1 | -173 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1280 | R | 24.2 | Very low | 27.3 | Very low | 222 Ų | 222 | 149.1 Ų | 149.1 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -154.2 | 130.6 | -155.5 | 179 | -168.7 | -172.1 | -169.5 | 4.6 | 114.4 | ||||
| 1281 | G | 27.2 | Very low | 27.4 | Very low | 63 Ų | 63 | 154.3 Ų | 154.3 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -175.1 | 135.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1282 | K | 25.9 | Very low | 27.6 | Very low | 196 Ų | 196 | 154 Ų | 154 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | 69.5 | 131.2 | 53.5 | -74.1 | -164.9 | 172.2 | -165.7 | 0 | 112.8 | |||||
| 1283 | T | 26.8 | Very low | 27.6 | Very low | 129 Ų | 129 | 150 Ų | 150 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | -167.5 | 170.8 | -11.5 | 8.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1284 | S | 28.7 | Very low | 27.5 | Very low | 97 Ų | 97 | 149.2 Ų | 149.2 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -123.6 | -162 | 12.6 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1285 | T | 28.5 | Very low | 27.6 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | 73.1 | 148.8 | 8.1 | 89.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1286 | D | 30 | Very low | 27.6 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -136.6 | -171 | -0.9 | -61.7 | -89.6 | 0 | 0 | 0 | 107 | ||||
| 1287 | D | 28.7 | Very low | 27.5 | Very low | 127 Ų | 127 | 143 Ų | 143 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | cis | -155.1 | 124.4 | 0.5 | -168.7 | 78.2 | 0 | 0 | 0 | 104.3 | ||||
| 1288 | I | 29.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | 88.8 | 146.9 | 63.3 | -70.6 | 166.5 | 0 | 0 | 0 | 115.3 | |||||
| 1289 | S | 28.8 | Very low | 27.4 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | 109.5 | 138.2 | 161.1 | 78 | 0 | 0 | 0 | 0 | 118 | ||||
| 1290 | K | 28.8 | Very low | 27.5 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 70% | 0.7 | 73% | 0.729 | S | S | * | * | cis | -162 | 133 | -4.7 | -115.8 | 161.2 | -158.5 | 151.4 | 0 | 112 | ||||
| 1291 | R | 28.4 | Very low | 27.5 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | 66 | 151.6 | 148 | -68.5 | 172.2 | -173 | 159.5 | 0.5 | 117.7 | ||||
| 1292 | D | 30.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | cis | -120.6 | 156.3 | 19.3 | -92.3 | -47.9 | 0 | 0 | 0 | 117.1 | ||||
| 1293 | I | 28.1 | Very low | 27.4 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | 31.5 | 127.7 | 154.6 | -51.8 | 179.3 | 0 | 0 | 0 | 119.6 | ||||
| 1294 | L | 26.1 | Very low | 27.4 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | -124.6 | 154.8 | -161.3 | -83.8 | 164.3 | 0 | 0 | 0 | 115.8 | ||||
| 1295 | T | 30.2 | Very low | 27.3 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -80.1 | -177.4 | 156.5 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1296 | P | 26.2 | Very low | 27.3 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -128.8 | 138.3 | 140.8 | 35.6 | -26.5 | 0 | 0 | 0 | 113.7 | ||||
| 1297 | V | 24.9 | Very low | 27.1 | Very low | 111 Ų | 111 | 132 Ų | 132 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | trans | -109.2 | -177.1 | 165.6 | 174.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1298 | F | 24.4 | Very low | 26.9 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 79% | 0.789 | 75% | 0.747 | S | S | * | * | trans | 80.2 | 147.9 | 173.9 | -59.2 | -81 | 0 | 0 | 0 | 115.8 | ||||
| 1299 | C | 23 | Very low | 26.7 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 55% | 0.554 | 76% | 0.755 | S | S | * | * | cis | -164.1 | 168.2 | -20.5 | -171.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 1300 | A | 28.6 | Very low | 26.6 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | -59.4 | 147 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1301 | T | 24.8 | Very low | 26.4 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -152.8 | 115.9 | 155.7 | -35.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1302 | T | 25.1 | Very low | 26.2 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | -67.9 | 137.7 | 172.6 | 34.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1303 | T | 26.2 | Very low | 25.8 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -137.8 | 105.8 | 169.3 | -49.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1304 | T | 26.4 | Very low | 25.5 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -84.5 | 140.1 | 174.9 | 42.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1305 | V | 27.5 | Very low | 25.4 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | trans | -128.9 | 104.9 | 166 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1306 | V | 27.9 | Very low | 25 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | trans | -105.4 | 127.3 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1307 | S | 25.4 | Very low | 24.9 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -137.3 | 89.5 | 175.3 | -70.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1308 | S | 25.4 | Very low | 24.8 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -94.8 | 140.2 | 178.8 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1309 | S | 24.9 | Very low | 24.8 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -159.5 | 139.4 | 149.7 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1310 | V | 26.2 | Very low | 25 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -100.2 | 144.2 | -178.7 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1311 | S | 23.5 | Very low | 24.9 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -156 | 133.8 | 153.3 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1312 | Q | 24.2 | Very low | 25.2 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | -98.5 | 146.7 | 175.7 | -56 | 159 | -87.6 | 0 | 0 | 111.2 | ||||
| 1313 | S | 23.4 | Very low | 25.2 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -173 | 99.1 | 144.8 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1314 | T | 22 | Very low | 25.3 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | 69.9 | 111.3 | 76.2 | 62.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1315 | I | 22.6 | Very low | 25.4 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | trans | 84.3 | 150.8 | 133.3 | -64.8 | 168.7 | 0 | 0 | 0 | 119.1 | ||||
| 1316 | S | 22.7 | Very low | 25.4 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 69.4 | 113.3 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1317 | T | 23.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | cis | 74.4 | 102 | 37.3 | 79 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1318 | N | 23.3 | Very low | 25.4 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | 171.5 | 124.8 | 124.3 | -85.1 | -29.9 | 0 | 0 | 0 | 108.3 | |||||
| 1319 | N | 24.7 | Very low | 25.6 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | 64.3 | 96.2 | 72.6 | -73.7 | -29.4 | 0 | 0 | 0 | 113.5 | |||||
| 1320 | H | 27.4 | Very low | 25.5 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | -177 | 131.1 | 117.1 | -82.4 | -22.1 | 0 | 0 | 0 | 108.2 | |||||
| 1321 | N | 26.4 | Very low | 25.7 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | 52.9 | 112.5 | 77.3 | -61.8 | -7.1 | 0 | 0 | 0 | 110.6 | |||||
| 1322 | H | 29.7 | Very low | 25.8 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | -155.5 | 142 | 58.6 | -84.2 | -74.8 | 0 | 0 | 0 | 111.3 | |||||
| 1323 | T | 26.9 | Very low | 26.1 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | 80.4 | 140 | 67.9 | -42.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1324 | L | 26.6 | Very low | 26.1 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 92.9 | 146.2 | 171 | -53.8 | 172.2 | 0 | 0 | 0 | 117 | ||||
| 1325 | H | 28.4 | Very low | 26.6 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | cis | -166.2 | 173.6 | -37.8 | -155.3 | -97.8 | 0 | 0 | 0 | 109.4 | ||||
| 1326 | S | 29.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 84.6 | 151.1 | 163.2 | -160 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1327 | Q | 26.6 | Very low | 26.9 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | -170.5 | 139.1 | -57.3 | -117.8 | -177.2 | -63.9 | 0 | 0 | 108.7 | |||||
| 1328 | M | 24.9 | Very low | 27 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | trans | 38 | 127.7 | 145.8 | -62.8 | 171.5 | 63.9 | 0 | 0 | 121.4 | ||||
| 1329 | S | 29.5 | Very low | 27.2 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | -147.2 | 164.8 | 116.8 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1330 | R | 24.6 | Very low | 27.2 | Very low | 212 Ų | 212 | 152 Ų | 152 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -155.4 | 137.6 | -171.1 | 167 | -178.6 | 170.7 | 170.8 | -2.7 | 107.7 | E1332 | R1330-E1332 IonicContact CZ-OE1 3.26Å; R1330-E1332 IonicContact NE-OE1 2.74Å; R1330-E1332 PolarHBondContact NE-OE1 3.1Å; R1330-E1332 IonicContact NH2-OE1 2.8Å; R1330-E1332 PolarHBondContact NH2-OE1 2.98Å | ||
| 1331 | S | 29.8 | Very low | 27.1 | Very low | 113 Ų | 113 | 154 Ų | 154 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -143.2 | 119.8 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1332 | E | 24.8 | Very low | 27 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | trans | -91.6 | 151.3 | 169.3 | -69.4 | 146.4 | -162.4 | 0 | 0 | 109.2 | R1330 | R1330-E1332 IonicContact CZ-OE1 3.26Å; R1330-E1332 IonicContact NE-OE1 2.74Å; R1330-E1332 PolarHBondContact NE-OE1 3.1Å; R1330-E1332 IonicContact NH2-OE1 2.8Å; R1330-E1332 PolarHBondContact NH2-OE1 2.98Å | ||
| 1333 | Y | 31.4 | Very low | 27.2 | Very low | 233 Ų | 233 | 152.6 Ų | 152.6 | 91% | 0.914 | 75% | 0.747 | S | S | * | * | trans | -140.1 | 131.5 | 156.1 | -101.2 | -80.1 | 0 | 0 | 0 | 109.1 | ||||
| 1334 | N | 23.8 | Very low | 27.1 | Very low | 142 Ų | 142 | 154.6 Ų | 154.6 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -160.3 | 103.8 | -168.1 | 177.9 | 11.8 | 0 | 0 | 0 | 111.1 | ||||
| 1335 | T | 30.9 | Very low | 27.1 | Very low | 129 Ų | 129 | 155.2 Ų | 155.2 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -162.9 | 148.2 | 171.1 | 44.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1336 | R | 25.8 | Very low | 26.9 | Very low | 198 Ų | 198 | 156.9 Ų | 156.9 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -175.2 | 161.9 | -37.8 | -135.4 | 178 | 175.9 | -143.3 | 11.6 | 107.7 | ||||
| 1337 | E | 26.2 | Very low | 26.9 | Very low | 118 Ų | 118 | 159.5 Ų | 159.5 | 55% | 0.551 | 77% | 0.77 | S | S | * | * | trans | 64.3 | 128.2 | 159.5 | -67.1 | 157.7 | -152.8 | 0 | 0 | 115.4 | ||||
| 1338 | Y | 27 | Very low | 26.8 | Very low | 183 Ų | 183 | 160.5 Ų | 160.5 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | cis | -134.1 | 178 | 2.1 | -83.1 | -60 | 0 | 0 | 0 | 108.8 | ||||
| 1339 | F | 27 | Very low | 27 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | cis | -142.1 | -161.8 | 18.4 | -122.4 | -54.9 | 0 | 0 | 0 | 111.4 | ||||
| 1340 | H | 24.4 | Very low | 26.8 | Very low | 156 Ų | 156 | 158.2 Ų | 158.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -128.7 | 146 | 174.5 | -87.5 | -74 | 0 | 0 | 0 | 110.6 | ||||
| 1341 | F | 25.1 | Very low | 27 | Very low | 209 Ų | 209 | 156.4 Ų | 156.4 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | -156.4 | 157.7 | 104 | -108 | -75.9 | 0 | 0 | 0 | 110.6 | |||||
| 1342 | H | 24.6 | Very low | 26.9 | Very low | 166 Ų | 166 | 157.9 Ų | 157.9 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -139 | -174 | -171.9 | -141.5 | -7.8 | 0 | 0 | 0 | 109 | ||||
| 1343 | P | 34.8 | Very low | 27 | Very low | 85 Ų | 85 | 157.1 Ų | 157.1 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | -111.6 | -179.8 | -121.7 | 41.8 | -28 | 0 | 0 | 0 | 114.8 | |||||
| 1344 | N | 24.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 68.1 | 116.7 | 165.2 | -53.2 | -24 | 0 | 0 | 0 | 117.1 | ||||
| 1345 | D | 26.8 | Very low | 26.8 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | -157 | 153.3 | 124.1 | -110.2 | -24.3 | 0 | 0 | 0 | 110.7 | |||||
| 1346 | E | 24.7 | Very low | 26.6 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -85.1 | 133 | 175.9 | -60.1 | 178.6 | 131 | 0 | 0 | 110.7 | ||||
| 1347 | I | 27.9 | Very low | 26.5 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 82% | 0.821 | 70% | 0.699 | S | S | * | * | trans | -148.6 | 133.8 | 155.7 | -100.3 | 139.8 | 0 | 0 | 0 | 110.1 | ||||
| 1348 | N | 24.4 | Very low | 26.3 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -86.6 | 116.7 | 178 | -83.6 | -77.9 | 0 | 0 | 0 | 111.8 | ||||
| 1349 | S | 28.9 | Very low | 26.3 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | trans | -155.4 | 117.4 | 146.3 | 47.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1350 | N | 25 | Very low | 26.3 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | cis | 70.5 | 36.2 | 19.9 | -137.1 | 21.5 | 0 | 0 | 0 | 114.6 | ||||
| 1351 | E | 30.8 | Very low | 26.3 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | -113.7 | 126.7 | 125.5 | -78.9 | -158.7 | 157.4 | 0 | 0 | 107.9 | |||||
| 1352 | Q | 26.5 | Very low | 26.1 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | cis | 93.1 | 135.6 | 49.9 | -81.6 | -145.7 | 31.6 | 0 | 0 | 112.5 | ||||
| 1353 | I | 26.9 | Very low | 26.1 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 59% | 0.585 | 68% | 0.683 | S | S | * | * | cis | -161.4 | 134.9 | -20.6 | -135.9 | -174.8 | 0 | 0 | 0 | 110.6 | ||||
| 1354 | T | 25.1 | Very low | 25.6 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | trans | 61.1 | -175.1 | 147.8 | 72.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1355 | H | 26.9 | Very low | 25.5 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 55% | 0.551 | 70% | 0.695 | S | S | * | * | cis | -122.1 | 135.2 | -9.9 | -101.1 | -53.9 | 0 | 0 | 0 | 108.7 | R1357 | H1355-R1357 PolarHBondContact CE1-NH2 2.91Å; H1355-R1357 PolarHBondContact ND1-NE 2.73Å | ||
| 1356 | E | 25.4 | Very low | 25.4 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 45% | 0.449 | 69% | 0.691 | S | S | . | * | cis | 61.1 | 73.5 | 33.1 | -161.1 | -116.8 | -159 | 0 | 0 | 114.5 | K1358 | E1356-K1358 WeakPolarHBondContact OE1-CE 3.22Å; E1356-K1358 IonicContact OE1-NZ 3.81Å; E1356-K1358 PolarHBondContact OE1-NZ 3.47Å; E1356-K1358 IonicContact OE2-NZ 3.79Å | ||
| 1357 | R | 23.1 | Very low | 25.4 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 33% | 0.325 | 69% | 0.691 | S | S | . | * | trans | -162.5 | 120 | 136.2 | -99.2 | 121.8 | -134 | -158.3 | 0.1 | 109.3 | S1236 H1355 | S1236-R1357 VanDerWaalsContact CB-CZ 3.41Å; S1236-R1357 VanDerWaalsContact CB-NH2 3.34Å; S1236-R1357 PolarHBondContact OG-NH1 3.09Å; H1355-R1357 PolarHBondContact CE1-NH2 2.91Å; H1355-R1357 PolarHBondContact ND1-NE 2.73Å | ||
| 1358 | K | 23.3 | Very low | 25.4 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | 82.7 | 103.4 | 59.9 | -76.9 | 178.1 | 179.1 | 153.7 | 0 | 112.8 | E1356 | E1356-K1358 WeakPolarHBondContact OE1-CE 3.22Å; E1356-K1358 IonicContact OE1-NZ 3.81Å; E1356-K1358 PolarHBondContact OE1-NZ 3.47Å; E1356-K1358 IonicContact OE2-NZ 3.79Å | |||
| 1359 | N | 26.8 | Very low | 26.1 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | 67.9 | 162.1 | 135.6 | -55 | 9.9 | 0 | 0 | 0 | 119.1 | ||||
| 1360 | N | 26.9 | Very low | 26.1 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 57% | 0.567 | 69% | 0.688 | S | S | * | * | trans | 81 | 133.6 | 168.4 | -48.8 | -9.4 | 0 | 0 | 0 | 115.3 | ||||
| 1361 | W | 23.5 | Very low | 26.5 | Very low | 207 Ų | 207 | 131.2 Ų | 131.2 | 78% | 0.784 | 69% | 0.687 | S | S | * | * | cis | -164.5 | 147.7 | -17.2 | -101.1 | -41.2 | 0 | 0 | 0 | 109.4 | ||||
| 1362 | F | 22.7 | Very low | 27 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 80% | 0.803 | 68% | 0.679 | S | S | * | * | trans | 64.9 | 144.5 | 156.5 | -87.7 | -103.8 | 0 | 0 | 0 | 122.4 | ||||
| 1363 | T | 24.2 | Very low | 27.1 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 71% | 0.712 | 69% | 0.689 | S | S | * | * | trans | 76.6 | 140.7 | 146.5 | 33.5 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1364 | R | 22.7 | Very low | 27.2 | Very low | 233 Ų | 233 | 130.9 Ų | 130.9 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | trans | 78.3 | 114.6 | 143 | -81.2 | 179.5 | 172.5 | 176.4 | -2.9 | 122.2 | ||||
| 1365 | A | 23.3 | Very low | 27.3 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | 14.8 | 132.9 | 124.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1366 | V | 23.6 | Very low | 27.2 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | 46.9 | 110.3 | 135.7 | -171.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1367 | S | 25.6 | Very low | 27.1 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | 177 | 174.3 | 135.9 | -81.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1368 | A | 27.9 | Very low | 27.4 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -111.2 | -149.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1369 | P | 39.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | -110 | 172.3 | -105.8 | 40.7 | -29.2 | 0 | 0 | 0 | 114.6 | |||||
| 1370 | D | 28 | Very low | 27.6 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | -176.4 | 179.2 | 122.4 | -122.5 | -43.2 | 0 | 0 | 0 | 115.8 | |||||
| 1371 | T | 34.7 | Very low | 27.6 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | -121.8 | -153.5 | -180 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1372 | P | 40.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | cis | -134.4 | -156 | -21.9 | 28.3 | -3 | 0 | 0 | 0 | 113.1 | ||||
| 1373 | R | 29.8 | Very low | 28 | Very low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | 90.9 | 149.9 | 157.6 | -60.7 | -175.9 | 178.9 | -142.1 | -2.5 | 118.7 | ||||
| 1374 | S | 28.1 | Very low | 28.2 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | -177.2 | 158.4 | -21.9 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1375 | W | 26.4 | Very low | 28.5 | Very low | 224 Ų | 224 | 132.3 Ų | 132.3 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | trans | -178.8 | 142.4 | 145.6 | -97.9 | 21.3 | 0 | 0 | 0 | 106.9 | ||||
| 1376 | K | 24.6 | Very low | 28.7 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | cis | -164.1 | 163.8 | -3.6 | -147.3 | 170.7 | -171 | 165.6 | 0 | 110.2 | ||||
| 1377 | K | 25.2 | Very low | 28.8 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 74% | 0.735 | 71% | 0.713 | S | S | * | * | trans | 72.9 | 145 | 169.3 | -62.5 | 175.2 | 135.7 | -76.6 | 0 | 116 | ||||
| 1378 | D | 29.4 | Very low | 28.9 | Very low | 128 Ų | 128 | 137 Ų | 137 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | cis | -163.3 | 158.8 | -15.8 | -86.9 | -29.4 | 0 | 0 | 0 | 105.1 | ||||
| 1379 | A | 25.9 | Very low | 28.8 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 55% | 0.554 | 70% | 0.704 | S | S | * | * | cis | -166 | 165.2 | -22 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1380 | Y | 28.1 | Very low | 28.2 | Very low | 229 Ų | 229 | 138.7 Ų | 138.7 | 90% | 0.898 | 70% | 0.702 | S | S | * | * | trans | 67.4 | 155.9 | 174.9 | -57.1 | -80.4 | 0 | 0 | 0 | 117.2 | ||||
| 1381 | S | 25.2 | Very low | 28 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | cis | -168.8 | 169.9 | -34.7 | -157.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1382 | V | 28.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 79% | 0.788 | 71% | 0.709 | S | S | * | * | trans | 68 | 134.4 | 159.3 | 168.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1383 | D | 27.2 | Very low | 27 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | cis | -168.2 | 169.9 | -30.3 | -153.2 | -11.4 | 0 | 0 | 0 | 110 | ||||
| 1384 | N | 28.3 | Very low | 26.7 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 47% | 0.471 | 71% | 0.71 | S | S | . | * | trans | 72.4 | 123.1 | 137.5 | -83.2 | -52.4 | 0 | 0 | 0 | 123.3 | ||||
| 1385 | K | 28.2 | Very low | 26.6 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 59% | 0.587 | 71% | 0.712 | S | S | * | * | trans | 77.4 | 146 | 130.6 | -62.8 | 166.6 | -175.6 | 126.4 | 0 | 116.5 | ||||
| 1386 | R | 27.9 | Very low | 26.6 | Very low | 195 Ų | 195 | 130 Ų | 130 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | cis | -171.8 | 163.7 | -4.5 | -108.7 | 166.7 | -176.7 | 173.3 | -0.3 | 106.4 | ||||
| 1387 | N | 27 | Very low | 27.1 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | cis | -175.1 | 161.6 | -24 | -118.5 | 27.6 | 0 | 0 | 0 | 107.3 | ||||
| 1388 | I | 27.5 | Very low | 27 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 67% | 0.672 | 71% | 0.711 | S | S | * | * | trans | 59.7 | 106.6 | 144.4 | -66 | 168.9 | 0 | 0 | 0 | 116.7 | ||||
| 1389 | V | 25.2 | Very low | 26.8 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 79% | 0.788 | 71% | 0.711 | S | S | * | * | 83.9 | 159 | 65.3 | 167.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1390 | T | 26.2 | Very low | 26.7 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | trans | 88.6 | 93.1 | 167.7 | 16.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1391 | T | 25 | Very low | 26.6 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 85% | 0.847 | 71% | 0.709 | S | S | * | * | 50.4 | 120.3 | 126.6 | 59.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1392 | G | 28 | Very low | 26.7 | Very low | 81 Ų | 81 | 120.5 Ų | 120.5 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | trans | -157.7 | 122.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1393 | L | 25.2 | Very low | 26.6 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -79.6 | 159.2 | 179.7 | -85.7 | 152.8 | 0 | 0 | 0 | 113 | ||||
| 1394 | T | 24.5 | Very low | 26.5 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | 69.8 | 124.7 | 145.6 | 46.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1395 | T | 24.7 | Very low | 26.6 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | 74.1 | 117.2 | 133.3 | 54.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1396 | T | 26.5 | Very low | 26.5 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | 75.8 | 170.5 | 137.4 | 68.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1397 | P | 35.6 | Very low | 26.4 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | -130.6 | -134.5 | -101.5 | 31.1 | -5.4 | 0 | 0 | 0 | 111.7 | |||||
| 1398 | V | 24 | Very low | 26.4 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | trans | 79.8 | 98.4 | 160.5 | 177.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1399 | T | 23.6 | Very low | 26.5 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | 45.6 | 142.2 | 136.7 | 67.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1400 | S | 24 | Very low | 26.5 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 67.7 | 152.7 | 135.1 | 65.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1401 | A | 26.7 | Very low | 26.6 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | cis | -174.8 | -172.6 | -22.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1402 | T | 26.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | 54.8 | 120.4 | 146.4 | 47.8 | 0 | 0 | 0 | 0 | 121 | T1404 | T1402-T1404 HydrophobicContact CG2-CG2 4.02Š| ||
| 1403 | T | 27.8 | Very low | 26.7 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | -152.6 | 97.9 | 112.5 | -10.5 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1404 | T | 25.5 | Very low | 26.8 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | 51.5 | 105.8 | 77.4 | 60.5 | 0 | 0 | 0 | 0 | 117.5 | T1402 | T1402-T1404 HydrophobicContact CG2-CG2 4.02Š| |||
| 1405 | T | 28.8 | Very low | 27 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | -159 | 107.9 | 122.6 | 28.2 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1406 | T | 25.8 | Very low | 27.1 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | 69.5 | 137.3 | 65.5 | 66.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1407 | I | 27.6 | Very low | 27.2 | Very low | 127 Ų | 127 | 124 Ų | 124 | 65% | 0.651 | 71% | 0.708 | S | S | * | * | trans | 115.5 | 143.2 | 170.7 | -66.2 | 164.7 | 0 | 0 | 0 | 112.5 | ||||
| 1408 | R | 26.6 | Very low | 26.9 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | cis | -155.6 | 107.7 | -36.4 | -93.7 | 179.6 | -152 | 107.9 | 3.2 | 110.3 | ||||
| 1409 | T | 28.1 | Very low | 27.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | 64 | 166.7 | 147.9 | 63.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1410 | R | 27.2 | Very low | 27.3 | Very low | 210 Ų | 210 | 133 Ų | 133 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | cis | -168.1 | 158.2 | -11.8 | -118.2 | 168.4 | 179.3 | 173 | -0.6 | 109.7 | ||||
| 1411 | K | 27 | Very low | 27.5 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | 67.8 | 162.3 | 149.1 | -76.1 | -178.9 | 153.2 | -161.5 | 0 | 115.5 | ||||
| 1412 | I | 28.1 | Very low | 27.8 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | cis | -148.8 | 146.5 | -1.8 | -133.2 | 167.5 | 0 | 0 | 0 | 112.8 | ||||
| 1413 | I | 28.2 | Very low | 28.1 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 65% | 0.646 | 69% | 0.693 | S | S | * | * | trans | 43.4 | 116.2 | 137.4 | -76.5 | 171.8 | 0 | 0 | 0 | 120 | ||||
| 1414 | D | 26.8 | Very low | 28.2 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | 58.5 | 159.6 | 126 | -60.4 | -35.6 | 0 | 0 | 0 | 121.6 | |||||
| 1415 | S | 28.1 | Very low | 28.5 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | cis | -166.4 | -173.5 | -16.1 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1416 | S | 27.1 | Very low | 28.6 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -0 | 150 | 153.6 | 53.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1417 | A | 29.1 | Very low | 28.8 | Very low | 80 Ų | 80 | 125.1 Ų | 125.1 | 66% | 0.661 | 63% | 0.631 | S | S | * | * | cis | -178.1 | 157.5 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1418 | K | 28.7 | Very low | 28.9 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | trans | 56.4 | 122.6 | 145.7 | -71.6 | 167.6 | -179 | 172.3 | 0 | 121.2 | ||||
| 1419 | K | 28.1 | Very low | 29 | Very low | 188 Ų | 188 | 122.6 Ų | 122.6 | 82% | 0.817 | 64% | 0.638 | S | S | * | * | trans | 70.3 | 137.4 | 144.9 | -68.2 | -174.5 | 173.3 | -169.3 | 0 | 116.6 | ||||
| 1420 | L | 27.4 | Very low | 29.1 | Very low | 155 Ų | 155 | 122 Ų | 122 | 81% | 0.812 | 64% | 0.64 | S | S | * | * | cis | -159.4 | 176.6 | 33.9 | -115.5 | 139.7 | 0 | 0 | 0 | 112.7 | ||||
| 1421 | Y | 29 | Very low | 29.3 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 40% | 0.4 | 64% | 0.639 | S | S | . | * | trans | -72.7 | 176.1 | 179.4 | -79 | -90.7 | 0 | 0 | 0 | 115 | L1840 E1841 | Y1421-L1840 HydrophobicContact CD1-CB 4.49Å; Y1421-L1840 HydrophobicContact CE1-CB 3.7Å; Y1421-E1841 WeakPolarHBondContact CE2-O 3.41Å; Y1421-E1841 WeakPolarHBondContact OH-CA 3.39Å; Y1421-E1841 WeakPolarHBondContact OH-CB 3.38Å; Y1421-E1841 PolarHBondContact OH-N 3Å; Y1421-E1841 PolarHBondContact OH-O 3.27Å; Y1421-E1841 PolarHBondContact OH-OE2 3.02Å | ||
| 1422 | P | 33.4 | Very low | 29.4 | Very low | 78 Ų | 78 | 114.6 Ų | 114.6 | 51% | 0.506 | 63% | 0.631 | S | S | . | * | cis | -144.7 | 160.2 | 4.5 | 40.1 | -19.8 | 0 | 0 | 0 | 120 | K1838 | P1422-K1838 HydrophobicContact CB-CD 3.89Å; P1422-K1838 HydrophobicContact CG-CD 4.21Å | ||
| 1423 | T | 30.8 | Very low | 29.4 | Very low | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | trans | 37.2 | 119.9 | 141.9 | 65.6 | 0 | 0 | 0 | 0 | 124.7 | K1838 | T1423-K1838 PolarHBondContact OG1-NZ 3.47Š| ||
| 1424 | Q | 30.7 | Very low | 29.4 | Very low | 139 Ų | 139 | 112.8 Ų | 112.8 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | trans | 159.6 | 135.2 | 152 | -88.5 | -99.9 | -101.5 | 0 | 0 | 112.3 | E1062 Y1063 | E1062-Q1424 CarbonylContact O-C 3.56Å; E1062-Q1424 VanDerWaalsContact O-C 3.31Å; E1062-Q1424 PolarHBondContact O-N 3.34Å; E1062-Q1424 PolarHBondContact OE1-NE2 3.3Å; Y1063-Q1424 WeakPolarHBondContact CB-O 3.26Å | ||
| 1425 | R | 31.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 112.4 Ų | 112.4 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | cis | -135.9 | -130.3 | 1.3 | -169.4 | 71.6 | -79.5 | -84.7 | 8.7 | 112.8 | E1062 Y1063 | E1062-R1425 CarbonylContact C-O 3.17Å; E1062-R1425 WeakPolarHBondContact CA-O 3.47Å; E1062-R1425 WeakPolarHBondContact OE1-CA 3.19Å; E1062-R1425 IonicContact OE1-CZ 3.59Å; E1062-R1425 IonicContact OE1-NE 2.76Å; E1062-R1425 PolarHBondContact OE1-NE 2.88Å; E1062-R1425 IonicContact OE1-NH2 3.57Å; E1062-R1425 IonicContact OE2-CZ 3.44Å; E1062-R1425 IonicContact OE2-NE 3.4Å; E1062-R1425 PolarHBondContact OE2-NE 3.14Å; E1062-R1425 IonicContact OE2-NH2 2.69Å; E1062-R1425 PolarHBondContact OE2-NH2 2.98Å; Y1063-R1425 VanDerWaalsContact CB-N 3.3Å; Y1063-R1425 WeakPolarHBondContact CB-O 3.43Å; Y1063-R1425 VanDerWaalsContact CD2-CA 3.5Å; Y1063-R1425 HydrophobicContact CD2-CB 3.73Å; Y1063-R1425 HydrophobicContact CE2-CB 3.94Å; Y1063-R1425 PolarHBondContact N-O 3.06Å | ||
| 1426 | T | 31.6 | Very low | 29.4 | Very low | 33 Ų | 33 | 111 Ų | 111 | 20% | 0.202 | 61% | 0.608 | C | S | . | * | trans | -142.9 | 148.5 | -161.1 | 47.8 | 0 | 0 | 0 | 0 | 120.1 | L1060 A1061 Y1063 | L1060-T1426 HydrophobicContact CB-CG2 4.12Å; L1060-T1426 WeakPolarHBondContact O-CG2 3.5Å; A1061-T1426 HydrophobicContact CB-CG2 4.25Å; Y1063-T1426 WeakPolarHBondContact CE1-O 3.36Å; Y1063-T1426 VanDerWaalsContact CZ-C 3.44Å; Y1063-T1426 VanDerWaalsContact CZ-O 3.29Å; Y1063-T1426 PolarHBondContact OH-O 2.8Å; Y1063-T1426 VanDerWaalsContact OH-O 3.07Å | ||
| 1427 | V | 30.8 | Very low | 29.5 | Very low | 51 Ų | 51 | 113 Ų | 113 | 31% | 0.309 | 62% | 0.615 | S | S | . | * | trans | 73.3 | 154.6 | 154.5 | 168.4 | 0 | 0 | 0 | 0 | 115.3 | L1060 Y1063 | L1060-V1427 HydrophobicContact CB-CG2 3.57Å; L1060-V1427 HydrophobicContact CD1-CG2 3.97Å; L1060-V1427 HydrophobicContact CG-CG2 4.38Å; Y1063-V1427 WeakPolarHBondContact CE1-O 3.39Å; Y1063-V1427 PolarHBondContact OH-O 2.84Å | ||
| 1428 | E | 28 | Very low | 29.5 | Very low | 179 Ų | 179 | 118 Ų | 118 | 84% | 0.836 | 63% | 0.625 | S | S | * | * | cis | -150.2 | 138.4 | 21.1 | -134.4 | 130.6 | -137.7 | 0 | 0 | 108.3 | ||||
| 1429 | A | 30.1 | Very low | 29.6 | Very low | 84 Ų | 84 | 115.8 Ų | 115.8 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | 85.2 | 107.8 | 77.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1430 | S | 30.2 | Very low | 29.6 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | trans | 59.4 | 124.8 | 133.4 | 68 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1431 | S | 30.6 | Very low | 29.9 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | trans | -179.7 | 155.2 | 142.3 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1432 | I | 28.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 61% | 0.605 | 64% | 0.641 | S | S | * | * | cis | 152.2 | 159.6 | -9.4 | -90.6 | 167.3 | 0 | 0 | 0 | 108 | T1050 | T1050-I1432 VanDerWaalsContact O-CG2 3.28Å; T1050-I1432 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1433 | N | 28.9 | Very low | 29.5 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 47% | 0.465 | 65% | 0.653 | S | S | . | * | trans | 95.7 | 134.4 | -165.4 | -66.1 | -23.2 | 0 | 0 | 0 | 124 | T1050 M1051 P1052 | T1050-N1433 PolarHBondContact N-OD1 3.07Å; T1050-N1433 WeakPolarHBondContact O-CA 3.47Å; T1050-N1433 PolarHBondContact O-N 2.83Å; M1051-N1433 VanDerWaalsContact C-C 3.49Å; M1051-N1433 CarbonylContact C-O 3.58Å; M1051-N1433 VanDerWaalsContact CA-N 3.3Å; M1051-N1433 VanDerWaalsContact N-CA 3.27Å; P1052-N1433 WeakPolarHBondContact CA-O 3.25Å; P1052-N1433 WeakPolarHBondContact CB-O 3.4Å; P1052-N1433 WeakPolarHBondContact CD-O 3.49Å | ||
| 1434 | R | 27.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 46% | 0.46 | 67% | 0.671 | S | S | . | * | trans | -127.7 | 153.9 | 176.9 | -73.9 | -169 | -74.2 | 122.1 | -8.6 | 114 | T1050 M1051 S1436 | T1050-R1434 HydrophobicContact CG2-CB 4.44Å; T1050-R1434 WeakPolarHBondContact OG1-CA 3.47Å; T1050-R1434 WeakPolarHBondContact OG1-CB 3.44Å; T1050-R1434 PolarHBondContact OG1-N 3.35Å; T1050-R1434 PolarHBondContact OG1-O 2.85Å; M1051-R1434 HydrophobicContact CE-CG 4.01Å; M1051-R1434 WeakPolarHBondContact O-CG 3.49Å; M1051-R1434 HydrophobicContact SD-CG 3.96Å; M1051-R1434 PolarHBondContact SD-NE 2.94Å; R1434-S1436 PolarHBondContact NH1-OG 3.12Å | ||
| 1435 | V | 27.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 123.7 Ų | 123.7 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | -158.5 | 143.2 | 119 | 145.4 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1436 | S | 27.7 | Very low | 28.8 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 49% | 0.49 | 69% | 0.689 | S | S | . | * | cis | 92.8 | 93.3 | -9.2 | 87.1 | 0 | 0 | 0 | 0 | 122.1 | R1434 | R1434-S1436 PolarHBondContact NH1-OG 3.12Š| ||
| 1437 | T | 29.9 | Very low | 28.5 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | trans | -141.6 | 170.1 | 162.4 | 25.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1438 | Q | 28.6 | Very low | 28.1 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | -95.1 | 163.2 | -164.2 | -55.5 | 148.9 | -33.3 | 0 | 0 | 113.8 | ||||
| 1439 | N | 30.1 | Very low | 27.9 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | -153.7 | 166.8 | 128.3 | -133.9 | -44 | 0 | 0 | 0 | 113 | |||||
| 1440 | R | 28.3 | Very low | 27.7 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | trans | -83.7 | 152 | -156.8 | -68.6 | 167.9 | 164.1 | 161.2 | -9 | 115.7 | ||||
| 1441 | P | 33.6 | Very low | 27.4 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | trans | -82.9 | 150.1 | 161.6 | 35.4 | -33.1 | 0 | 0 | 0 | 111.7 | ||||
| 1442 | K | 27.9 | Very low | 27 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | -157.4 | 156.1 | 160 | -119.6 | 170.7 | -174.5 | 176.3 | 0 | 112.3 | ||||
| 1443 | D | 27.1 | Very low | 26.9 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | trans | -72.4 | 151.9 | -166 | -44.4 | -92.5 | 0 | 0 | 0 | 114.4 | ||||
| 1444 | L | 26.4 | Very low | 26.7 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 92% | 0.921 | 70% | 0.7 | S | S | * | * | -179.6 | 166 | 117.6 | -96.8 | 158.5 | 0 | 0 | 0 | 112.9 | |||||
| 1445 | A | 26.9 | Very low | 26.6 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | 72.7 | 119.8 | 176 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1446 | L | 24.1 | Very low | 26.6 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | trans | -72.6 | 144.6 | 173.1 | -75 | 56.2 | 0 | 0 | 0 | 111 | ||||
| 1447 | E | 24.2 | Very low | 26.4 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 44% | 0.439 | 69% | 0.688 | S | S | . | * | -156.8 | 154.8 | 127.9 | -129.2 | 162.7 | -95.8 | 0 | 0 | 112.9 | S1215 T1217 F1449 | S1215-E1447 VanDerWaalsContact CA-OE2 3.32Å; S1215-E1447 WeakPolarHBondContact CA-OE2 3.45Å; T1217-E1447 WeakPolarHBondContact CA-OE1 3.35Å; T1217-E1447 VanDerWaalsContact CB-OE1 3.27Å; T1217-E1447 WeakPolarHBondContact CB-OE1 3.39Å; T1217-E1447 WeakPolarHBondContact CG2-OE1 3.31Å; T1217-E1447 PolarHBondContact N-OE1 2.9Å; T1217-E1447 PolarHBondContact OG1-OE1 2.96Å; E1447-F1449 PolarHBondContact O-N 3.07Å; E1447-F1449 VanDerWaalsContact O-N 3.1Å | |||
| 1448 | Q | 23.4 | Very low | 26.2 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | trans | -80.9 | 86.6 | -173.4 | -69.2 | 178.6 | -27.2 | 0 | 0 | 112.2 | T1450 | Q1448-T1450 VanDerWaalsContact C-N 3.29Å; Q1448-T1450 PolarHBondContact O-N 2.96Å | ||
| 1449 | F | 24.7 | Very low | 26 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 63% | 0.632 | 65% | 0.647 | S | S | * | * | trans | -77 | 82.5 | 164 | -100.1 | -63.2 | 0 | 0 | 0 | 111.6 | P1213 S1215 E1447 | P1213-F1449 WeakPolarHBondContact O-CZ 3.44Å; S1215-F1449 VanDerWaalsContact CB-CE2 3.45Å; S1215-F1449 WeakPolarHBondContact OG-CE2 3.37Å; E1447-F1449 PolarHBondContact O-N 3.07Å; E1447-F1449 VanDerWaalsContact O-N 3.1Å | ||
| 1450 | T | 24.5 | Very low | 25.7 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 58% | 0.577 | 63% | 0.633 | S | S | * | * | trans | -62 | 139.6 | 162.2 | 45.7 | 0 | 0 | 0 | 0 | 109.8 | Q1448 | Q1448-T1450 VanDerWaalsContact C-N 3.29Å; Q1448-T1450 PolarHBondContact O-N 2.96Å | ||
| 1451 | P | 23.6 | Very low | 25.6 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 48% | 0.481 | 62% | 0.623 | S | S | . | * | trans | -62.4 | 146.3 | 156.5 | 30.7 | -33.1 | 0 | 0 | 0 | 107.6 | M751 T1453 | M751-P1451 HydrophobicContact CE-CG 4.22Å; P1451-T1453 PolarHBondContact O-N 3.07Å | ||
| 1452 | P | 23.4 | Very low | 25.2 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | trans | -63.5 | 100.9 | -175.6 | 24.6 | -34 | 0 | 0 | 0 | 111 | H1454 | P1452-H1454 PolarHBondContact O-N 3.31Š| ||
| 1453 | T | 25.8 | Very low | 25 | Very low | 88 Ų | 88 | 109 Ų | 109 | 54% | 0.54 | 58% | 0.583 | S | S | . | * | trans | -75.7 | 37.5 | 178.5 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | P1451 | P1451-T1453 PolarHBondContact O-N 3.07Š| ||
| 1454 | H | 24.6 | Very low | 24.9 | Very low | 145 Ų | 145 | 106 Ų | 106 | 67% | 0.671 | 57% | 0.567 | S | S | * | * | trans | -129.2 | 57.4 | -177.8 | -88.1 | -75.2 | 0 | 0 | 0 | 111.5 | P1452 | P1452-H1454 PolarHBondContact O-N 3.31Š| ||
| 1455 | T | 26.6 | Very low | 24.8 | Very low | 90 Ų | 90 | 103.3 Ų | 103.3 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | trans | -142.1 | 9.7 | 166.7 | -2.2 | 0 | 0 | 0 | 0 | 114.9 | E1457 V1458 | T1455-E1457 VanDerWaalsContact C-N 3.26Å; T1455-E1457 PolarHBondContact O-N 3.28Å; T1455-V1458 HydrophobicContact CG2-CB 4.22Å; T1455-V1458 HydrophobicContact CG2-CG2 3.94Å | ||
| 1456 | Y | 27.3 | Very low | 24.7 | Very low | 107 Ų | 107 | 102.1 Ų | 102.1 | 42% | 0.42 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.3 | 172.8 | -77.6 | -85.4 | 0 | 0 | 0 | 114.1 | F732 | F732-Y1456 WeakPolarHBondContact CE1-OH 3.43Å; F732-Y1456 WeakPolarHBondContact CZ-OH 3.33Å |
| 1457 | E | 24.1 | Very low | 24.7 | Very low | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 0.8 | 178.7 | -62.5 | -161.2 | 112.3 | 0 | 0 | 114.4 | R658 T1455 | R658-E1457 IonicContact CZ-OE1 2.65Å; R658-E1457 IonicContact NH1-OE1 3.72Å; R658-E1457 IonicContact NH2-OE1 3.58Å; R658-E1457 PolarHBondContact NH2-OE1 2.85Å; T1455-E1457 VanDerWaalsContact C-N 3.26Å; T1455-E1457 PolarHBondContact O-N 3.28Å |
| 1458 | V | 24.4 | Very low | 24.7 | Very low | 83 Ų | 83 | 100.9 Ų | 100.9 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -90.6 | -25.3 | -167 | -177.1 | 0 | 0 | 0 | 0 | 113.2 | T1455 A1460 | T1455-V1458 HydrophobicContact CG2-CB 4.22Å; T1455-V1458 HydrophobicContact CG2-CG2 3.94Å; V1458-A1460 PolarHBondContact O-N 3.29Å |
| 1459 | C | 24.2 | Very low | 24.7 | Very low | 57 Ų | 57 | 99.7 Ų | 99.7 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.6 | -176.5 | -66 | 0 | 0 | 0 | 0 | 115.4 | A901 | A901-C1459 HydrophobicContact CB-CB 4.01Š|
| 1460 | A | 25.5 | Very low | 24.8 | Very low | 54 Ų | 54 | 97.9 Ų | 97.9 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -17.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1458 R1462 | V1458-A1460 PolarHBondContact O-N 3.29Å; A1460-R1462 PolarHBondContact O-N 3.25Å; A1460-R1462 VanDerWaalsContact O-N 3.12Å |
| 1461 | N | 24.8 | Very low | 24.8 | Very low | 101 Ų | 101 | 97.1 Ų | 97.1 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 49.9 | -165.8 | -69.5 | -33.8 | 0 | 0 | 0 | 114.4 | ||
| 1462 | R | 25.3 | Very low | 24.9 | Very low | 156 Ų | 156 | 97 Ų | 97 | 59% | 0.589 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | -0.7 | 174.4 | -112.8 | -175.3 | -177.8 | -155.5 | 1.6 | 116.4 | A1460 | A1460-R1462 PolarHBondContact O-N 3.25Å; A1460-R1462 VanDerWaalsContact O-N 3.12Å |
| 1463 | L | 23.6 | Very low | 25.1 | Very low | 49 Ų | 49 | 97.9 Ų | 97.9 | 26% | 0.257 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -139.7 | 143.8 | 173.7 | -87.4 | 132.3 | 0 | 0 | 0 | 110.6 | H414 | H414-L1463 VanDerWaalsContact CE1-CD1 3.42Å; H414-L1463 WeakPolarHBondContact CE1-CD1 3.35Å; H414-L1463 VanDerWaalsContact NE2-CD1 3.28Å; H414-L1463 WeakPolarHBondContact NE2-CD1 3.31Å; H414-L1463 VanDerWaalsContact NE2-CD2 3.33Å; H414-L1463 WeakPolarHBondContact NE2-CD2 3.24Å |
| 1464 | L | 25.5 | Very low | 25.2 | Very low | 80 Ų | 80 | 97.8 Ų | 97.8 | 42% | 0.419 | 56% | 0.564 | S | S | . | * | trans | 65 | 143.3 | -172.7 | -49.5 | 163.2 | 0 | 0 | 0 | 111.2 | N412 | N412-L1464 HydrophobicContact CB-CD2 3.91Å; N412-L1464 WeakPolarHBondContact ND2-CD2 3.49Å | ||
| 1465 | I | 24.7 | Very low | 25.7 | Very low | 120 Ų | 120 | 95.9 Ų | 95.9 | 62% | 0.615 | 56% | 0.564 | S | S | * | * | cis | -119.8 | 142.2 | 25.1 | -65.9 | 155.8 | 0 | 0 | 0 | 111.1 | E1467 | I1465-E1467 HydrophobicContact CG2-CG 3.95Š| ||
| 1466 | N | 24.6 | Very low | 25.7 | Very low | 51 Ų | 51 | 99.2 Ų | 99.2 | 27% | 0.273 | 58% | 0.579 | S | S | . | * | trans | -95 | 115.2 | 152.4 | -89 | -19.5 | 0 | 0 | 0 | 107.1 | R330 D394 S1468 | R330-N1466 PolarHBondContact NH1-OD1 3.04Å; R330-N1466 PolarHBondContact NH2-OD1 3Å; D394-N1466 WeakPolarHBondContact OD2-CB 3.18Å; D394-N1466 PolarHBondContact OD2-ND2 2.77Å; N1466-S1468 PolarHBondContact O-N 2.87Å | ||
| 1467 | E | 24.7 | Very low | 25.6 | Very low | 176 Ų | 176 | 98.2 Ų | 98.2 | 82% | 0.822 | 59% | 0.592 | S | S | * | * | trans | -76.2 | 117 | 168.3 | -69.1 | -173.8 | 128.5 | 0 | 0 | 109.1 | I1465 | I1465-E1467 HydrophobicContact CG2-CG 3.95Š| ||
| 1468 | S | 23.2 | Very low | 25.7 | Very low | 51 Ų | 51 | 101.3 Ų | 101.3 | 36% | 0.357 | 61% | 0.612 | S | S | . | * | trans | -146.9 | 75.1 | 158.7 | 77.4 | 0 | 0 | 0 | 0 | 111.6 | S329 N1466 | S329-S1468 VanDerWaalsContact OG-CB 3.29Å; S329-S1468 WeakPolarHBondContact OG-CB 3.32Å; S329-S1468 PolarHBondContact OG-OG 3.29Å; N1466-S1468 PolarHBondContact O-N 2.87Å | ||
| 1469 | I | 24.4 | Very low | 26.1 | Very low | 153 Ų | 153 | 102.6 Ų | 102.6 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | trans | -141.1 | 144.1 | 164.7 | -90 | 148.5 | 0 | 0 | 0 | 106.8 | ||||
| 1470 | A | 25.5 | Very low | 26.1 | Very low | 105 Ų | 105 | 108 Ų | 108 | 87% | 0.868 | 65% | 0.646 | S | S | * | * | trans | 63.3 | 130.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1471 | G | 25.4 | Very low | 26 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | cis | 155.2 | 155.1 | -10.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1472 | G | 24.7 | Very low | 26 | Very low | 73 Ų | 73 | 117.3 Ų | 117.3 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | 88 | 113.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1473 | D | 29 | Very low | 25.9 | Very low | 130 Ų | 130 | 121.1 Ų | 121.1 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | trans | 47.9 | 102.3 | 138.4 | -65.2 | -53.1 | 0 | 0 | 0 | 124.5 | R596 | R596-D1473 IonicContact NH2-OD1 3.65Š| ||
| 1474 | C | 26.6 | Very low | 26.2 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 57% | 0.574 | 71% | 0.714 | S | S | * | * | 70.6 | 155 | 108.3 | -63.3 | 0 | 0 | 0 | 0 | 122 | R596 | R596-C1474 PolarHBondContact NH1-SG 3.07Å; R596-C1474 PolarHBondContact NH2-SG 2.96Å | |||
| 1475 | P | 35.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | trans | -112.7 | 167.2 | -163.9 | 41.9 | -33.1 | 0 | 0 | 0 | 115.1 | ||||
| 1476 | N | 26.4 | Very low | 26.1 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | -177.8 | 166.5 | 121.3 | -98.8 | -41.6 | 0 | 0 | 0 | 115.6 | |||||
| 1477 | A | 26.5 | Very low | 26 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | trans | 64.5 | 87.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1478 | L | 25.1 | Very low | 26 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | 38.8 | 153 | 111.6 | -71.2 | 171.1 | 0 | 0 | 0 | 122.1 | |||||
| 1479 | P | 33.8 | Very low | 26.1 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -96.2 | 169.6 | -157.5 | 39.4 | -38.6 | 0 | 0 | 0 | 115.1 | ||||
| 1480 | L | 23.7 | Very low | 26.3 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -164.5 | 148.1 | 132.3 | -109.1 | 165 | 0 | 0 | 0 | 112.8 | ||||
| 1481 | F | 22.5 | Very low | 26.3 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -76.5 | 125.5 | 163.6 | -102.8 | -112.3 | 0 | 0 | 0 | 109.4 | ||||
| 1482 | N | 24.6 | Very low | 26.4 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | -175.5 | 153.3 | 123 | -98 | -35.5 | 0 | 0 | 0 | 114 | |||||
| 1483 | R | 23.5 | Very low | 26.6 | Very low | 235 Ų | 235 | 139 Ų | 139 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | trans | -78.8 | 174.7 | 164.9 | -63 | 178 | 167.3 | -175.5 | -3.8 | 109.3 | ||||
| 1484 | P | 30.6 | Very low | 26.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | cis | -142.4 | 164.7 | 7.8 | 38.9 | -18.7 | 0 | 0 | 0 | 118.9 | ||||
| 1485 | K | 23.1 | Very low | 26.5 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | trans | 63.4 | 138.6 | 141.5 | -72.3 | 170.8 | -179.1 | -179.3 | 0 | 123 | ||||
| 1486 | N | 24.2 | Very low | 26.2 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 91.3 | 104.9 | 143.4 | -73.1 | -18.9 | 0 | 0 | 0 | 123.6 | ||||
| 1487 | K | 23.5 | Very low | 26.4 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | 68.2 | 134.4 | 124.7 | -60.4 | -175.4 | 177.2 | -173.5 | 0 | 122.9 | |||||
| 1488 | S | 24.2 | Very low | 26.5 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 65.3 | 157.7 | 148.8 | 36.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1489 | S | 25.7 | Very low | 26.6 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | cis | 174.1 | 156.8 | -19.3 | 58.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1490 | Q | 27.6 | Very low | 26.3 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | cis | -173.5 | 165.5 | -12.1 | -117.2 | -164.6 | 33.4 | 0 | 0 | 109.5 | ||||
| 1491 | Q | 26.7 | Very low | 26.8 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | trans | 67.8 | 160.5 | 156 | -70.1 | -178 | 32.8 | 0 | 0 | 118.5 | ||||
| 1492 | R | 25.9 | Very low | 27.1 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | cis | -155.9 | 175.9 | -9.7 | -125.5 | 177.6 | -177.9 | -158.5 | -0.9 | 114.7 | ||||
| 1493 | S | 29.2 | Very low | 27.4 | Very low | 27 Ų | 27 | 133.7 Ų | 133.7 | 19% | 0.189 | 71% | 0.713 | C | S | . | * | trans | -68.2 | 176.2 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1494 | Y | 27.3 | Very low | 27.6 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 58% | 0.584 | 71% | 0.707 | S | S | * | * | -179.5 | -179.4 | 127.6 | -97 | -67 | 0 | 0 | 0 | 114.3 | L1624 Q1626 | Y1494-L1624 HydrophobicContact CD1-CD1 4.02Å; Y1494-L1624 HydrophobicContact CE1-CD1 3.29Å; Y1494-L1624 HydrophobicContact CE1-CD2 4.39Å; Y1494-L1624 HydrophobicContact CE1-CG 4.47Å; Y1494-Q1626 PolarHBondContact O-NE2 2.88Å | |||
| 1495 | S | 27.9 | Very low | 27.9 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | trans | -155 | 175.3 | -155.2 | 58 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1496 | A | 29 | Very low | 28.3 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -151 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1497 | T | 29.4 | Very low | 28.6 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 71% | 0.705 | S | S | * | * | trans | -162.7 | -175.4 | -172.9 | 4.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1498 | Q | 29 | Very low | 29 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | 91.9 | 152 | 169.1 | -69.2 | -172.1 | -0.8 | 0 | 0 | 118.3 | ||||
| 1499 | L | 26.8 | Very low | 29.1 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | cis | -155.4 | 166.7 | -10.7 | -87.7 | 152.3 | 0 | 0 | 0 | 107.3 | ||||
| 1500 | I | 28.2 | Very low | 29.6 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | cis | 91 | 140.1 | 32.4 | -99.9 | 174.5 | 0 | 0 | 0 | 116 | ||||
| 1501 | P | 33.7 | Very low | 30.4 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 71% | 0.708 | 68% | 0.682 | S | S | * | * | cis | -145.9 | -163.3 | -16.3 | 45.4 | -25.7 | 0 | 0 | 0 | 117.6 | ||||
| 1502 | S | 29.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | trans | 111.7 | 164.4 | 152.6 | 80 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1503 | S | 29.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -173.9 | 176.2 | -162.7 | 57.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1504 | S | 28.9 | Very low | 30.7 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | 92.7 | 164 | 151.6 | 82.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1505 | P | 36.7 | Very low | 30.6 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | -150.3 | 179.2 | -50.8 | 43.4 | -25.1 | 0 | 0 | 0 | 119.3 | |||||
| 1506 | T | 30.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | trans | 74 | 162.8 | 156.6 | 71.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1507 | Q | 30.5 | Very low | 30.4 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | cis | -147.5 | 159.3 | 10.9 | -79.2 | -168.6 | -17 | 0 | 0 | 114.6 | ||||
| 1508 | H | 31.9 | Very low | 30.2 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 44% | 0.444 | 73% | 0.727 | S | S | . | * | trans | 30 | 158.9 | 142.4 | -68.5 | -74.8 | 0 | 0 | 0 | 124.2 | ||||
| 1509 | N | 27.7 | Very low | 30 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | cis | -159.1 | 177.5 | 5.2 | -116.5 | -5.9 | 0 | 0 | 0 | 111.9 | ||||
| 1510 | P | 36.3 | Very low | 29.9 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | trans | -119.4 | -131.7 | -157.4 | 34.1 | -11.4 | 0 | 0 | 0 | 119.2 | ||||
| 1511 | P | 44.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | -117.3 | -173.5 | -122.1 | 40.5 | -21.1 | 0 | 0 | 0 | 116.3 | |||||
| 1512 | P | 30.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | -158.8 | 152.8 | 106.4 | 40.5 | -21 | 0 | 0 | 0 | 120.4 | |||||
| 1513 | S | 29.4 | Very low | 29.2 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | 39.2 | 148 | 140.5 | 77 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 1514 | K | 27.4 | Very low | 28.9 | Very low | 184 Ų | 184 | 125 Ų | 125 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | trans | 102.5 | 144.4 | 131.7 | -100.5 | 175.6 | -178.4 | 174.1 | 0 | 122.5 | ||||
| 1515 | I | 25.9 | Very low | 28.7 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | trans | 76.1 | 149.2 | 153.6 | -71.2 | 160.7 | 0 | 0 | 0 | 118.3 | ||||
| 1516 | V | 27.2 | Very low | 28.2 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | cis | -176.8 | 160.6 | -39.9 | 118.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1517 | D | 25.2 | Very low | 27.9 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | 66.1 | 150.9 | 163.7 | -67.7 | -17.9 | 0 | 0 | 0 | 125.4 | ||||
| 1518 | D | 25.3 | Very low | 27.5 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | 66 | 151.7 | 146 | -81.3 | -12.8 | 0 | 0 | 0 | 123.7 | ||||
| 1519 | S | 24.7 | Very low | 27.2 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | cis | -164.7 | 157.7 | -13 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1520 | V | 25.9 | Very low | 27 | Very low | 128 Ų | 128 | 131 Ų | 131 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 23.5 | 127.2 | 144.3 | -177.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1521 | S | 24.7 | Very low | 26.4 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | 171.5 | 150.1 | 131.5 | 39.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1522 | L | 24.5 | Very low | 25.4 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 63% | 0.634 | 73% | 0.725 | S | S | * | * | cis | -165.6 | 149.8 | -12.1 | -107.9 | 175.2 | 0 | 0 | 0 | 112.2 | ||||
| 1523 | Y | 25.3 | Very low | 25.1 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | 63 | 149.4 | 160.5 | -63.5 | -50.6 | 0 | 0 | 0 | 120.2 | ||||
| 1524 | S | 24.8 | Very low | 24.9 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | cis | -164.3 | 125.9 | -9.5 | 179.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1525 | T | 24.7 | Very low | 24.9 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | 46.4 | 140.1 | 78.7 | 77.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1526 | N | 25.1 | Very low | 24.8 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | cis | -148.1 | 178.3 | 29.7 | -99.7 | -44.8 | 0 | 0 | 0 | 114.7 | ||||
| 1527 | S | 24.7 | Very low | 24.8 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -116.7 | -177.3 | -176.6 | -51.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1528 | L | 23.3 | Very low | 24.8 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | 108.4 | 116.6 | 150.6 | -67.4 | 154.2 | 0 | 0 | 0 | 121.5 | ||||
| 1529 | H | 24 | Very low | 24.8 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 61% | 0.606 | 74% | 0.741 | S | S | * | * | trans | 48.5 | 123.9 | 134.7 | -80.3 | -133.4 | 0 | 0 | 0 | 122.8 | ||||
| 1530 | H | 25 | Very low | 24.9 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | -171.1 | 113.7 | 98.2 | -112 | -84.4 | 0 | 0 | 0 | 115 | |||||
| 1531 | F | 22.5 | Very low | 24.8 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 51% | 0.509 | 75% | 0.746 | S | S | . | * | trans | 32.6 | 142 | 132.8 | -98.4 | -72.3 | 0 | 0 | 0 | 125.3 | I459 | I459-F1531 HydrophobicContact CD1-CZ 4.44Š| ||
| 1532 | L | 24 | Very low | 24.8 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | trans | 69.5 | 142.7 | 162 | -50.6 | 177.6 | 0 | 0 | 0 | 117 | ||||
| 1533 | D | 24.4 | Very low | 24.8 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | -156.9 | 172.9 | -7.5 | -115.7 | -13.2 | 0 | 0 | 0 | 113 | ||||
| 1534 | D | 25 | Very low | 24.9 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -18.2 | 141.2 | 171.5 | -83.8 | -28.6 | 0 | 0 | 0 | 120.6 | ||||
| 1535 | T | 26.5 | Very low | 24.9 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | -170.8 | 152.3 | 101.3 | 20.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 1536 | N | 23.9 | Very low | 25 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -74.4 | 148.2 | -178.2 | -79.7 | -82.4 | 0 | 0 | 0 | 114.5 | ||||
| 1537 | A | 28.2 | Very low | 25.1 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -141.1 | 106.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1538 | N | 23.6 | Very low | 25.1 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | -79.5 | 133.2 | 176.9 | -87 | -76 | 0 | 0 | 0 | 112.3 | ||||
| 1539 | C | 26.2 | Very low | 25.2 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 91% | 0.912 | 76% | 0.76 | S | S | * | * | trans | -143.3 | 69.9 | 157.9 | -98.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1540 | A | 26.3 | Very low | 25.3 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | 73.1 | 111.6 | 80.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1541 | L | 23.9 | Very low | 25.4 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | -49.9 | 147.9 | 172.3 | -67.4 | 144.7 | 0 | 0 | 0 | 112.6 | Y1543 | L1541-Y1543 HydrophobicContact CD2-CD2 4.24Å; L1541-Y1543 HydrophobicContact CD2-CE2 4.21Å | ||
| 1542 | N | 25.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -133.8 | 90.3 | 157.8 | -150.1 | -23.3 | 0 | 0 | 0 | 111.5 | N1544 | N1542-N1544 PolarHBondContact OD1-ND2 2.83Š| ||
| 1543 | Y | 24.8 | Very low | 25.6 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -77.9 | 120.6 | 172.6 | -103.2 | -92 | 0 | 0 | 0 | 110.6 | L1541 Y1545 | L1541-Y1543 HydrophobicContact CD2-CD2 4.24Å; L1541-Y1543 HydrophobicContact CD2-CE2 4.21Å; Y1543-Y1545 HydrophobicContact CD1-CD2 4.37Å | ||
| 1544 | N | 26.3 | Very low | 25.7 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -149.4 | 100.3 | 158.1 | -80.5 | -66.7 | 0 | 0 | 0 | 105.5 | N1542 | N1542-N1544 PolarHBondContact OD1-ND2 2.83Š| ||
| 1545 | Y | 25.7 | Very low | 25.8 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | cis | 70.6 | 100.8 | 47.2 | -126.9 | -59.6 | 0 | 0 | 0 | 112.7 | Y1543 | Y1543-Y1545 HydrophobicContact CD1-CD2 4.37Š| ||
| 1546 | G | 26.9 | Very low | 25.7 | Very low | 63 Ų | 63 | 146.1 Ų | 146.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | 123.7 | 129.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1547 | D | 27.2 | Very low | 25.9 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | cis | -89.7 | 153.4 | 13.2 | -86.4 | -50.9 | 0 | 0 | 0 | 116.8 | ||||
| 1548 | R | 25.2 | Very low | 25.8 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 63% | 0.634 | 76% | 0.761 | S | S | * | * | trans | -107 | 135 | 160.6 | -62.6 | 178.9 | -176.6 | -176.2 | 11.9 | 108.7 | Q1550 | R1548-Q1550 HydrophobicContact CB-CG 4.32Š| ||
| 1549 | C | 24.7 | Very low | 25.9 | Very low | 144 Ų | 144 | 152 Ų | 152 | 97% | 0.973 | 77% | 0.767 | S | S | * | * | trans | -112.7 | 85.9 | 144.2 | -150.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1550 | Q | 26.2 | Very low | 25.9 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 57% | 0.57 | 76% | 0.758 | S | S | * | * | trans | -85.2 | 129.9 | -178.5 | -95.5 | -175.9 | -28.6 | 0 | 0 | 111.8 | R1548 | R1548-Q1550 HydrophobicContact CB-CG 4.32Š| ||
| 1551 | Q | 26.5 | Very low | 25.8 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 23.9 | 128.3 | 139.2 | -60.2 | 179.3 | -10.5 | 0 | 0 | 118.7 | ||||
| 1552 | R | 23.9 | Very low | 25.9 | Very low | 229 Ų | 229 | 149 Ų | 149 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | -159.6 | 160.6 | 124.4 | -118.7 | 166.3 | -174 | 160.5 | 4 | 115 | |||||
| 1553 | N | 27.1 | Very low | 25.9 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | 68.7 | 94 | 169.2 | -52.6 | -16.3 | 0 | 0 | 0 | 114.2 | ||||
| 1554 | Q | 27.4 | Very low | 26 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | 77.7 | 141.1 | 59.3 | -66.2 | -172.9 | -4.7 | 0 | 0 | 115.5 | |||||
| 1555 | S | 26.2 | Very low | 25.8 | Very low | 83 Ų | 83 | 145.7 Ų | 145.7 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | trans | 92.5 | 101.8 | 142.8 | -177.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1556 | K | 24.8 | Very low | 25.8 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | 72.6 | 157.2 | 136.2 | -62 | 173.5 | -157.5 | 165.4 | 0 | 117.8 | ||||
| 1557 | D | 28.8 | Very low | 25.7 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -121.2 | 157.7 | -3.7 | -82.4 | -63 | 0 | 0 | 0 | 109.3 | ||||
| 1558 | L | 25.7 | Very low | 25.6 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | cis | 83.8 | 126.8 | 38.5 | -88 | 169.5 | 0 | 0 | 0 | 116.3 | ||||
| 1559 | R | 24.2 | Very low | 25.5 | Very low | 239 Ų | 239 | 141.5 Ų | 141.5 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | trans | 71.7 | 145.3 | 179.1 | -57 | 171.1 | 173.6 | 140.9 | -4 | 114.9 | ||||
| 1560 | A | 27.3 | Very low | 25.6 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | cis | -127.1 | 148.7 | -1.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1561 | S | 24 | Very low | 25.6 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | cis | 90 | 135.4 | 19.4 | 83.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1562 | V | 25.4 | Very low | 25.5 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | 73.7 | 123.5 | 157.2 | 171.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1563 | D | 25.1 | Very low | 25.6 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | cis | -143.3 | -118.4 | -15.1 | -150.7 | 63.7 | 0 | 0 | 0 | 111.6 | ||||
| 1564 | I | 26.7 | Very low | 25.6 | Very low | 161 Ų | 161 | 135 Ų | 135 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | cis | -143.2 | 157.5 | -0.9 | -160.1 | 163.2 | 0 | 0 | 0 | 113.1 | ||||
| 1565 | T | 23.9 | Very low | 25.6 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | -80.6 | 152.5 | -172.3 | -33.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1566 | S | 24.5 | Very low | 25.7 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 126.5 | 148.9 | 142.8 | -62.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1567 | K | 24.1 | Very low | 25.9 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 81% | 0.809 | 73% | 0.731 | S | S | * | * | cis | -153.1 | 146 | -15.2 | -106.3 | 165.9 | -175.5 | 174.9 | 0 | 105.9 | ||||
| 1568 | A | 25.6 | Very low | 25.8 | Very low | 83 Ų | 83 | 127 Ų | 127 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | 55.3 | 132.3 | 89.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1569 | L | 24.5 | Very low | 25.8 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | cis | -170.1 | 162.3 | 40.6 | -112 | 149.3 | 0 | 0 | 0 | 111.4 | ||||
| 1570 | L | 25.4 | Very low | 26 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 67.3 | 152.8 | 154.6 | -59.6 | 163.1 | 0 | 0 | 0 | 117.7 | ||||
| 1571 | M | 25.8 | Very low | 26 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | cis | -152.3 | 134 | -10.3 | -105.2 | -74.8 | -157.5 | 0 | 0 | 107.7 | ||||
| 1572 | S | 25.9 | Very low | 26.1 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | 59.2 | 110.7 | 109.3 | 84.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1573 | S | 26.3 | Very low | 26.2 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | 74.3 | 134.5 | 90.5 | 78.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1574 | K | 26.9 | Very low | 26.3 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | -163.3 | 150.3 | 55 | -87.7 | 173.9 | -176.7 | 178.4 | 0 | 109.3 | |||||
| 1575 | S | 26.9 | Very low | 26.2 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | 55.6 | 136.2 | 78.9 | 93.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1576 | S | 28.2 | Very low | 26.3 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | cis | -176.6 | 168.6 | 4.4 | 43.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1577 | S | 28.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | 64.2 | 149.4 | 144.9 | 50.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1578 | S | 26.7 | Very low | 26.4 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | cis | -178.9 | 150 | 0.8 | 42 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1579 | Y | 25.6 | Very low | 26.3 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | 80.3 | 151.5 | 139.4 | -95.7 | -113.6 | 0 | 0 | 0 | 124.8 | ||||
| 1580 | H | 29.5 | Very low | 26.3 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | 70.9 | 145.2 | 163.2 | -70.2 | -61.4 | 0 | 0 | 0 | 119.4 | ||||
| 1581 | D | 26.7 | Very low | 26.2 | Very low | 130 Ų | 130 | 139 Ų | 139 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -161.2 | 173.5 | -25.2 | -144.4 | -59.4 | 0 | 0 | 0 | 111.7 | ||||
| 1582 | S | 26.6 | Very low | 26.2 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -44.6 | 142.7 | -178.8 | 51.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1583 | K | 27.7 | Very low | 26.1 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | 171.3 | 131.2 | 127.2 | -91.8 | 163.6 | -176.9 | -176.8 | 0 | 108.5 | |||||
| 1584 | N | 26.6 | Very low | 26.1 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | cis | 86.1 | 118.8 | 19.5 | -153.5 | 2.6 | 0 | 0 | 0 | 115.4 | ||||
| 1585 | R | 25.2 | Very low | 26 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 69.7 | 161.3 | 179.9 | -67.1 | 174.8 | 166.8 | -166 | -4.3 | 115.6 | ||||
| 1586 | L | 25.7 | Very low | 25.8 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | -148.2 | 170.4 | 14.7 | -158.8 | 69.5 | 0 | 0 | 0 | 114.3 | ||||
| 1587 | L | 25.1 | Very low | 25.5 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -16.1 | 125.4 | 171.1 | -87.1 | 63.7 | 0 | 0 | 0 | 122.9 | ||||
| 1588 | A | 25 | Very low | 25.3 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | 61.7 | 165.2 | 94.6 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1589 | V | 23.8 | Very low | 25.2 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | trans | 79 | 104.2 | 160 | -158.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1590 | K | 24.6 | Very low | 25 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | 169.8 | 117 | 129.5 | -88 | 143.8 | -163.6 | 163.7 | 0 | 108.3 | |||||
| 1591 | K | 24.2 | Very low | 24.7 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | cis | 74.7 | 94.1 | 25.7 | -164.3 | -171.3 | -177.3 | 178.4 | 0 | 115 | ||||
| 1592 | Y | 25.9 | Very low | 24.7 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | -164.1 | 113.9 | 150.4 | -95.8 | -69.8 | 0 | 0 | 0 | 107.5 | ||||
| 1593 | S | 24 | Very low | 24.6 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | 72.1 | 146.8 | 97.7 | 78.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1594 | S | 25.5 | Very low | 24.4 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | cis | -147.5 | 150.7 | 17 | -165.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1595 | Q | 24.1 | Very low | 24.3 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | -65.8 | 143.4 | 154 | -59.8 | 144.1 | -58.3 | 0 | 0 | 109.2 | ||||
| 1596 | Y | 23.2 | Very low | 24.2 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -150.1 | 120.6 | 137.8 | -102.7 | -93.3 | 0 | 0 | 0 | 104.4 | ||||
| 1597 | L | 23 | Very low | 24 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 65% | 0.654 | 72% | 0.719 | S | S | * | * | 59 | 133.8 | 91.9 | -82.3 | 83.2 | 0 | 0 | 0 | 112.1 | |||||
| 1598 | T | 23.7 | Very low | 23.9 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | cis | -166.2 | 174.8 | 15.7 | -2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1599 | N | 23.3 | Very low | 23.9 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | 30.3 | 142.8 | 131.3 | -56.8 | -5 | 0 | 0 | 0 | 119.6 | ||||
| 1600 | V | 23 | Very low | 23.8 | Very low | 105 Ų | 105 | 143 Ų | 143 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | cis | -165.9 | -179.8 | 21.2 | 98 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1601 | Q | 23 | Very low | 23.8 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -17.8 | 139 | 164.3 | -49.3 | 135.6 | -115.6 | 0 | 0 | 117.5 | ||||
| 1602 | E | 26.4 | Very low | 23.9 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | 180 | 105.5 | 101 | -93.5 | 171.7 | -172.2 | 0 | 0 | 106.9 | |||||
| 1603 | T | 24.1 | Very low | 24.2 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 61% | 0.613 | 70% | 0.703 | S | S | * | * | 50.3 | 137.5 | 66.1 | 80 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1604 | N | 23.6 | Very low | 24.2 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | 73.3 | 141.1 | 170.1 | -59.7 | -59.6 | 0 | 0 | 0 | 115.9 | ||||
| 1605 | S | 24.1 | Very low | 24.1 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | cis | -168.9 | 162.9 | -4.7 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1606 | R | 23.4 | Very low | 24.1 | Very low | 209 Ų | 209 | 133.7 Ų | 133.7 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | trans | 65 | 113.4 | 140.6 | -76.5 | 166.7 | -178.4 | 171.1 | 0.3 | 117.8 | ||||
| 1607 | M | 21.6 | Very low | 24.1 | Very low | 140 Ų | 140 | 130 Ų | 130 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | 95 | 139.7 | 66.4 | -88.1 | -151.1 | -62.3 | 0 | 0 | 111.2 | |||||
| 1608 | N | 23.6 | Very low | 24.3 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | 71.8 | 148.8 | 156.5 | -62.4 | -0.7 | 0 | 0 | 0 | 117.5 | ||||
| 1609 | S | 23.5 | Very low | 24.3 | Very low | 82 Ų | 82 | 133 Ų | 133 | 57% | 0.573 | 71% | 0.714 | S | S | * | * | cis | -165.1 | 167.5 | -15.4 | 49.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1610 | E | 22.5 | Very low | 24.4 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 72% | 0.718 | S | S | * | * | trans | 67.3 | 139.7 | 142.4 | -74.9 | 152.7 | 147.1 | 0 | 0 | 123.6 | ||||
| 1611 | S | 23.6 | Very low | 24.5 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | 73 | 118.1 | 146.9 | 65.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1612 | V | 27 | Very low | 24.6 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | cis | 62.5 | 130.3 | 21.2 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1613 | P | 31.3 | Very low | 24.5 | Very low | 96 Ų | 96 | 131 Ų | 131 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | cis | -136.9 | -158.8 | 12.2 | 28.6 | -2.1 | 0 | 0 | 0 | 114.5 | ||||
| 1614 | R | 24.5 | Very low | 24.5 | Very low | 222 Ų | 222 | 129.4 Ų | 129.4 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | 85.7 | 124.7 | 154.4 | -66 | 168.5 | -178.2 | 157.3 | 2.4 | 116.8 | ||||
| 1615 | S | 23.2 | Very low | 24.5 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | cis | 110.5 | 107.9 | 17.2 | 72 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1616 | S | 24.4 | Very low | 24.5 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | -173.4 | 107.7 | 154 | 37.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1617 | T | 23.8 | Very low | 24.5 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | 49.9 | 102.3 | 93.8 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1618 | H | 27.1 | Very low | 24.6 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | -174.9 | 122.9 | 101.2 | -99.7 | -90.4 | 0 | 0 | 0 | 107.8 | |||||
| 1619 | N | 24.2 | Very low | 24.7 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 65% | 0.652 | 68% | 0.684 | S | S | * | * | 50.6 | 104.8 | 78.2 | -86.4 | -13.6 | 0 | 0 | 0 | 114.2 | |||||
| 1620 | L | 24.8 | Very low | 24.8 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | -176.1 | 104.2 | 120.4 | -90.6 | 164.7 | 0 | 0 | 0 | 106.3 | |||||
| 1621 | N | 24.3 | Very low | 24.9 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | 78.6 | 148.2 | 71.2 | -78.8 | -18.4 | 0 | 0 | 0 | 114.8 | |||||
| 1622 | S | 25.3 | Very low | 25.2 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | 66.5 | 136.3 | -179.7 | 63.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1623 | T | 25 | Very low | 25.2 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 72% | 0.718 | 66% | 0.655 | S | S | * | * | cis | -149.6 | 128.5 | 5.6 | 0.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1624 | L | 23.3 | Very low | 25 | Very low | 66 Ų | 66 | 121.3 Ų | 121.3 | 35% | 0.346 | 66% | 0.656 | S | S | . | * | 70.1 | 83 | 98.1 | -167.1 | 82 | 0 | 0 | 0 | 112.7 | Y1494 | Y1494-L1624 HydrophobicContact CD1-CD1 4.02Å; Y1494-L1624 HydrophobicContact CE1-CD1 3.29Å; Y1494-L1624 HydrophobicContact CE1-CD2 4.39Å; Y1494-L1624 HydrophobicContact CE1-CG 4.47Å | |||
| 1625 | S | 23.6 | Very low | 25.2 | Very low | 67 Ų | 67 | 114.1 Ų | 114.1 | 47% | 0.469 | 64% | 0.64 | S | S | . | * | 89.7 | 148.5 | 68.5 | 75.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1626 | Q | 24 | Very low | 25.5 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 52% | 0.519 | 63% | 0.633 | S | S | . | * | trans | 91.3 | 129.3 | -179.6 | -66.5 | -166 | -27.3 | 0 | 0 | 116.5 | Y1494 | Y1494-Q1626 PolarHBondContact O-NE2 2.88Š| ||
| 1627 | F | 23.9 | Very low | 25.8 | Very low | 143 Ų | 143 | 114.3 Ų | 114.3 | 63% | 0.627 | 62% | 0.618 | S | S | * | * | cis | -167.9 | 122.1 | -23.7 | -139.5 | -120 | 0 | 0 | 0 | 110.4 | ||||
| 1628 | Q | 23.6 | Very low | 26.1 | Very low | 154 Ų | 154 | 111.2 Ų | 111.2 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | trans | 65.6 | 140 | 158.4 | -61.7 | 176 | -42.8 | 0 | 0 | 120.7 | ||||
| 1629 | S | 25.1 | Very low | 26.4 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 76% | 0.755 | 60% | 0.597 | S | S | * | * | trans | 87.9 | 4 | 164.1 | 73.2 | 0 | 0 | 0 | 0 | 121.8 | E1631 | S1629-E1631 PolarHBondContact O-N 2.87Š| ||
| 1630 | E | 25.6 | Very low | 26.9 | Very low | 175 Ų | 175 | 108.4 Ų | 108.4 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 65.6 | -174.8 | -60.9 | 176.7 | 162.3 | 0 | 0 | 115.6 | ||
| 1631 | E | 25.7 | Very low | 27.4 | Very low | 86 Ų | 86 | 104 Ų | 104 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.2 | -7.4 | 166.3 | -131 | -178.5 | -148.9 | 0 | 0 | 115.1 | T630 T631 S1629 | T630-E1631 WeakPolarHBondContact CA-OE1 3.31Å; T630-E1631 WeakPolarHBondContact CA-OE2 3.44Å; T630-E1631 PolarHBondContact OG1-OE1 3.2Å; T631-E1631 PolarHBondContact N-OE2 3.35Å; S1629-E1631 PolarHBondContact O-N 2.87Å |
| 1632 | L | 28.7 | Very low | 28.3 | Very low | 129 Ų | 129 | 103.7 Ų | 103.7 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -88.5 | -7.5 | 168.2 | -96 | 146.8 | 0 | 0 | 0 | 113.2 | S1635 | L1632-S1635 PolarHBondContact O-OG 3.25Š|
| 1633 | D | 27.2 | Very low | 29.2 | Very low | 72 Ų | 72 | 104.1 Ų | 104.1 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -100.6 | 1.8 | -172 | -68 | -35 | 0 | 0 | 0 | 114.8 | R1636 S1637 | D1633-R1636 WeakPolarHBondContact OD1-CD 3.41Å; D1633-R1636 IonicContact OD1-NH1 2.67Å; D1633-S1637 WeakPolarHBondContact O-CA 3.34Å; D1633-S1637 WeakPolarHBondContact O-CB 3.31Å; D1633-S1637 PolarHBondContact O-N 2.7Å |
| 1634 | S | 27.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 101.2 Ų | 101.2 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.7 | -41.8 | 169.6 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | A1638 | S1634-A1638 WeakPolarHBondContact O-CB 3.29Å; S1634-A1638 PolarHBondContact O-N 2.85Å |
| 1635 | S | 29.9 | Very low | 31.2 | Very low | 71 Ų | 71 | 102.3 Ų | 102.3 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.9 | -40.2 | 173 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | L1632 A1638 V1639 | L1632-S1635 PolarHBondContact O-OG 3.25Å; S1635-A1638 PolarHBondContact O-N 3.13Å; S1635-V1639 WeakPolarHBondContact O-CG2 3.38Å; S1635-V1639 PolarHBondContact O-N 3.26Å |
| 1636 | R | 29.4 | Very low | 32.3 | Very low | 148 Ų | 148 | 107.6 Ų | 107.6 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.5 | -44.9 | 170.4 | -72.7 | 171.5 | 154 | -176.4 | -5.5 | 112 | D1633 A1638 V1639 E1640 | D1633-R1636 WeakPolarHBondContact OD1-CD 3.41Å; D1633-R1636 IonicContact OD1-NH1 2.67Å; R1636-A1638 VanDerWaalsContact C-N 3.25Å; R1636-A1638 PolarHBondContact O-N 2.97Å; R1636-V1639 CarbonylContact O-C 3.5Å; R1636-V1639 PolarHBondContact O-N 3.06Å; R1636-E1640 VanDerWaalsContact O-CB 3.31Å; R1636-E1640 WeakPolarHBondContact O-CB 3.47Å; R1636-E1640 WeakPolarHBondContact O-CG 3.29Å; R1636-E1640 PolarHBondContact O-N 2.98Å |
| 1637 | S | 30.1 | Very low | 33.5 | Very low | 62 Ų | 62 | 105.8 Ų | 105.8 | 43% | 0.434 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.1 | -34.9 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | D1633 S1641 | D1633-S1637 WeakPolarHBondContact O-CA 3.34Å; D1633-S1637 WeakPolarHBondContact O-CB 3.31Å; D1633-S1637 PolarHBondContact O-N 2.7Å; S1637-S1641 WeakPolarHBondContact O-CA 3.37Å; S1637-S1641 WeakPolarHBondContact O-CB 3.4Å; S1637-S1641 PolarHBondContact O-N 3.42Å; S1637-S1641 PolarHBondContact O-OG 3.35Å |
| 1638 | A | 29.6 | Very low | 34.6 | Very low | 53 Ų | 53 | 101.7 Ų | 101.7 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -42.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1634 S1635 R1636 S1641 L1642 | S1634-A1638 WeakPolarHBondContact O-CB 3.29Å; S1634-A1638 PolarHBondContact O-N 2.85Å; S1635-A1638 PolarHBondContact O-N 3.13Å; R1636-A1638 VanDerWaalsContact C-N 3.25Å; R1636-A1638 PolarHBondContact O-N 2.97Å; A1638-S1641 PolarHBondContact O-N 3.2Å; A1638-L1642 WeakPolarHBondContact O-CB 3.41Å; A1638-L1642 WeakPolarHBondContact O-CG 3.35Å; A1638-L1642 PolarHBondContact O-N 3.38Å |
| 1639 | V | 33 | Very low | 35.8 | Very low | 100 Ų | 100 | 98.5 Ų | 98.5 | 61% | 0.606 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.7 | -41.6 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | S1635 R1636 L1642 H1643 | S1635-V1639 WeakPolarHBondContact O-CG2 3.38Å; S1635-V1639 PolarHBondContact O-N 3.26Å; R1636-V1639 CarbonylContact O-C 3.5Å; R1636-V1639 PolarHBondContact O-N 3.06Å; V1639-L1642 PolarHBondContact O-N 3.04Å; V1639-H1643 VanDerWaalsContact O-CB 3.26Å; V1639-H1643 WeakPolarHBondContact O-CB 3.27Å; V1639-H1643 PolarHBondContact O-N 3.05Å |
| 1640 | E | 35.3 | Very low | 37 | Very low | 129 Ų | 129 | 97.4 Ų | 97.4 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68 | -34.9 | 174 | -72.4 | -176.1 | 172.4 | 0 | 0 | 111.3 | R1636 H1643 A1644 | R1636-E1640 VanDerWaalsContact O-CB 3.31Å; R1636-E1640 WeakPolarHBondContact O-CB 3.47Å; R1636-E1640 WeakPolarHBondContact O-CG 3.29Å; R1636-E1640 PolarHBondContact O-N 2.98Å; E1640-H1643 PolarHBondContact O-N 3.08Å; E1640-A1644 WeakPolarHBondContact O-CA 3.42Å; E1640-A1644 WeakPolarHBondContact O-CB 3.19Å; E1640-A1644 PolarHBondContact O-N 2.9Å |
| 1641 | S | 35.9 | Very low | 38.1 | Very low | 66 Ų | 66 | 93.2 Ų | 93.2 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 172 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | S1637 A1638 H1643 A1644 L1645 | S1637-S1641 WeakPolarHBondContact O-CA 3.37Å; S1637-S1641 WeakPolarHBondContact O-CB 3.4Å; S1637-S1641 PolarHBondContact O-N 3.42Å; S1637-S1641 PolarHBondContact O-OG 3.35Å; A1638-S1641 PolarHBondContact O-N 3.2Å; S1641-H1643 VanDerWaalsContact C-N 3.34Å; S1641-A1644 PolarHBondContact O-N 2.77Å; S1641-L1645 WeakPolarHBondContact O-CB 3.47Å; S1641-L1645 PolarHBondContact O-N 2.81Å |
| 1642 | L | 41.9 | Very low | 39 | Very low | 119 Ų | 119 | 91.2 Ų | 91.2 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | 173 | -79.5 | 166.7 | 0 | 0 | 0 | 111.9 | A1638 V1639 R1646 | A1638-L1642 WeakPolarHBondContact O-CB 3.41Å; A1638-L1642 WeakPolarHBondContact O-CG 3.35Å; A1638-L1642 PolarHBondContact O-N 3.38Å; V1639-L1642 PolarHBondContact O-N 3.04Å; L1642-R1646 VanDerWaalsContact O-CB 3.25Å; L1642-R1646 WeakPolarHBondContact O-CB 3.49Å; L1642-R1646 PolarHBondContact O-N 3.37Å |
| 1643 | H | 45.5 | Very low | 40.1 | Very low | 119 Ų | 119 | 89.6 Ų | 89.6 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.3 | -44 | 175.3 | -171.9 | 16.6 | 0 | 0 | 0 | 111.4 | V1639 E1640 S1641 R1646 V1647 | V1639-H1643 VanDerWaalsContact O-CB 3.26Å; V1639-H1643 WeakPolarHBondContact O-CB 3.27Å; V1639-H1643 PolarHBondContact O-N 3.05Å; E1640-H1643 PolarHBondContact O-N 3.08Å; S1641-H1643 VanDerWaalsContact C-N 3.34Å; H1643-R1646 PolarHBondContact O-N 2.96Å; H1643-V1647 WeakPolarHBondContact O-CB 3.3Å; H1643-V1647 VanDerWaalsContact O-CG2 3.24Å; H1643-V1647 WeakPolarHBondContact O-CG2 3.22Å; H1643-V1647 PolarHBondContact O-N 2.95Å |
| 1644 | A | 44.5 | Very low | 41.2 | Very low | 57 Ų | 57 | 88.4 Ų | 88.4 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1640 S1641 V1647 A1648 | E1640-A1644 WeakPolarHBondContact O-CA 3.42Å; E1640-A1644 WeakPolarHBondContact O-CB 3.19Å; E1640-A1644 PolarHBondContact O-N 2.9Å; S1641-A1644 PolarHBondContact O-N 2.77Å; A1644-V1647 PolarHBondContact O-N 3Å; A1644-A1648 WeakPolarHBondContact O-CB 3.18Å; A1644-A1648 PolarHBondContact O-N 3.23Å |
| 1645 | L | 44.3 | Very low | 42.2 | Very low | 89 Ų | 89 | 91.9 Ų | 91.9 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 174.9 | -160 | 162.1 | 0 | 0 | 0 | 110.1 | S1641 A1648 L1649 V1711 | S1641-L1645 WeakPolarHBondContact O-CB 3.47Å; S1641-L1645 PolarHBondContact O-N 2.81Å; L1645-A1648 PolarHBondContact O-N 2.72Å; L1645-L1649 WeakPolarHBondContact O-CB 3.44Å; L1645-L1649 PolarHBondContact O-N 3.49Å; L1645-V1711 HydrophobicContact CD1-CG1 4.41Å |
| 1646 | R | 48.5 | Very low | 43 | Very low | 178 Ų | 178 | 92 Ų | 92 | 67% | 0.672 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 170.8 | -178.4 | 175.7 | -179.3 | 164.6 | 2.1 | 112.5 | L1642 H1643 A1648 L1649 D1650 | L1642-R1646 VanDerWaalsContact O-CB 3.25Å; L1642-R1646 WeakPolarHBondContact O-CB 3.49Å; L1642-R1646 PolarHBondContact O-N 3.37Å; H1643-R1646 PolarHBondContact O-N 2.96Å; R1646-A1648 VanDerWaalsContact C-N 3.35Å; R1646-L1649 PolarHBondContact O-N 3.3Å; R1646-D1650 WeakPolarHBondContact O-CB 3.34Å; R1646-D1650 PolarHBondContact O-N 3.01Å |
| 1647 | V | 49 | Very low | 43.8 | Very low | 73 Ų | 73 | 87.4 Ų | 87.4 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 176.4 | 166.4 | 0 | 0 | 0 | 0 | 110.9 | H1643 A1644 L1651 | H1643-V1647 WeakPolarHBondContact O-CB 3.3Å; H1643-V1647 VanDerWaalsContact O-CG2 3.24Å; H1643-V1647 WeakPolarHBondContact O-CG2 3.22Å; H1643-V1647 PolarHBondContact O-N 2.95Å; A1644-V1647 PolarHBondContact O-N 3Å; V1647-L1651 WeakPolarHBondContact O-CB 3.34Å; V1647-L1651 PolarHBondContact O-N 3.17Å |
| 1648 | A | 45.7 | Very low | 44.5 | Very low | 56 Ų | 56 | 90.5 Ų | 90.5 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1644 L1645 R1646 L1651 A1652 | A1644-A1648 WeakPolarHBondContact O-CB 3.18Å; A1644-A1648 PolarHBondContact O-N 3.23Å; L1645-A1648 PolarHBondContact O-N 2.72Å; R1646-A1648 VanDerWaalsContact C-N 3.35Å; A1648-L1651 PolarHBondContact O-N 3.36Å; A1648-A1652 WeakPolarHBondContact O-CB 3.49Å; A1648-A1652 PolarHBondContact O-N 3.15Å |
| 1649 | L | 48.9 | Very low | 44.9 | Very low | 87 Ų | 87 | 92.5 Ų | 92.5 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -50.4 | 173.6 | -137.7 | 82.7 | 0 | 0 | 0 | 111.1 | L1645 R1646 L1651 A1652 I1653 | L1645-L1649 WeakPolarHBondContact O-CB 3.44Å; L1645-L1649 PolarHBondContact O-N 3.49Å; R1646-L1649 PolarHBondContact O-N 3.3Å; L1649-L1651 VanDerWaalsContact C-N 3.26Å; L1649-L1651 PolarHBondContact O-N 2.84Å; L1649-A1652 PolarHBondContact O-N 3.27Å; L1649-I1653 HydrophobicContact CD2-CD1 4.4Å; L1649-I1653 HydrophobicContact CG-CD1 4.32Å; L1649-I1653 WeakPolarHBondContact O-CB 3.25Å; L1649-I1653 VanDerWaalsContact O-CG1 3.25Å; L1649-I1653 WeakPolarHBondContact O-CG1 3.37Å; L1649-I1653 PolarHBondContact O-N 2.94Å |
| 1650 | D | 50.1 | Low | 45.2 | Very low | 85 Ų | 85 | 90.7 Ų | 90.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -36 | 176 | -82 | -21.2 | 0 | 0 | 0 | 111.4 | R1646 S1654 | R1646-D1650 WeakPolarHBondContact O-CB 3.34Å; R1646-D1650 PolarHBondContact O-N 3.01Å; D1650-S1654 WeakPolarHBondContact O-CB 3.44Å; D1650-S1654 PolarHBondContact O-N 3.45Å |
| 1651 | L | 50.1 | Low | 45.3 | Very low | 88 Ų | 88 | 89 Ų | 89 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.2 | -37.1 | 176.3 | -168.7 | 73.3 | 0 | 0 | 0 | 112.2 | V1647 A1648 L1649 S1654 R1655 | V1647-L1651 WeakPolarHBondContact O-CB 3.34Å; V1647-L1651 PolarHBondContact O-N 3.17Å; A1648-L1651 PolarHBondContact O-N 3.36Å; L1649-L1651 VanDerWaalsContact C-N 3.26Å; L1649-L1651 PolarHBondContact O-N 2.84Å; L1651-S1654 PolarHBondContact O-N 3.42Å; L1651-R1655 WeakPolarHBondContact O-CB 3.25Å; L1651-R1655 VanDerWaalsContact O-CG 3.25Å; L1651-R1655 WeakPolarHBondContact O-CG 3.19Å; L1651-R1655 PolarHBondContact O-N 3.5Å |
| 1652 | A | 44.7 | Very low | 45.2 | Very low | 44 Ų | 44 | 94.7 Ų | 94.7 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -47.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1648 L1649 S1654 R1655 L1656 | A1648-A1652 WeakPolarHBondContact O-CB 3.49Å; A1648-A1652 PolarHBondContact O-N 3.15Å; L1649-A1652 PolarHBondContact O-N 3.27Å; A1652-S1654 VanDerWaalsContact C-N 3.33Å; A1652-S1654 PolarHBondContact O-N 3.42Å; A1652-R1655 PolarHBondContact O-N 2.96Å; A1652-R1655 VanDerWaalsContact O-N 3.13Å; A1652-L1656 WeakPolarHBondContact O-CB 3.24Å; A1652-L1656 WeakPolarHBondContact O-CG 3.33Å; A1652-L1656 PolarHBondContact O-N 2.96Å |
| 1653 | I | 50.5 | Low | 44.9 | Very low | 95 Ų | 95 | 95.8 Ų | 95.8 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 172.5 | -65.9 | 165 | 0 | 0 | 0 | 110 | L1649 R1655 L1656 A1657 | L1649-I1653 HydrophobicContact CD2-CD1 4.4Å; L1649-I1653 HydrophobicContact CG-CD1 4.32Å; L1649-I1653 WeakPolarHBondContact O-CB 3.25Å; L1649-I1653 VanDerWaalsContact O-CG1 3.25Å; L1649-I1653 WeakPolarHBondContact O-CG1 3.37Å; L1649-I1653 PolarHBondContact O-N 2.94Å; I1653-R1655 VanDerWaalsContact C-N 3.33Å; I1653-R1655 PolarHBondContact O-N 3.49Å; I1653-L1656 PolarHBondContact O-N 3Å; I1653-A1657 WeakPolarHBondContact O-CB 3.26Å; I1653-A1657 PolarHBondContact O-N 3.41Å |
| 1654 | S | 51 | Low | 44.2 | Very low | 46 Ų | 46 | 99.2 Ų | 99.2 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -29.3 | 175.4 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | D1650 L1651 A1652 K1658 | D1650-S1654 WeakPolarHBondContact O-CB 3.44Å; D1650-S1654 PolarHBondContact O-N 3.45Å; L1651-S1654 PolarHBondContact O-N 3.42Å; A1652-S1654 VanDerWaalsContact C-N 3.33Å; A1652-S1654 PolarHBondContact O-N 3.42Å; S1654-K1658 VanDerWaalsContact O-CB 3.29Å; S1654-K1658 WeakPolarHBondContact O-CB 3.44Å; S1654-K1658 WeakPolarHBondContact O-CD 3.04Å; S1654-K1658 WeakPolarHBondContact O-CG 3.14Å; S1654-K1658 PolarHBondContact O-N 3.33Å; S1654-K1658 VanDerWaalsContact O-N 3.09Å |
| 1655 | R | 47.9 | Very low | 43.6 | Very low | 164 Ų | 164 | 106.4 Ų | 106.4 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.1 | -46 | 173.1 | -78.7 | 175.1 | -179 | -157.6 | 2.2 | 111.2 | L1651 A1652 I1653 K1658 L1659 | L1651-R1655 WeakPolarHBondContact O-CB 3.25Å; L1651-R1655 VanDerWaalsContact O-CG 3.25Å; L1651-R1655 WeakPolarHBondContact O-CG 3.19Å; L1651-R1655 PolarHBondContact O-N 3.5Å; A1652-R1655 PolarHBondContact O-N 2.96Å; A1652-R1655 VanDerWaalsContact O-N 3.13Å; I1653-R1655 VanDerWaalsContact C-N 3.33Å; I1653-R1655 PolarHBondContact O-N 3.49Å; R1655-K1658 CarbonylContact O-C 3.57Å; R1655-K1658 PolarHBondContact O-N 3.44Å; R1655-K1658 VanDerWaalsContact O-N 3.09Å; R1655-L1659 WeakPolarHBondContact O-CG 3.43Å; R1655-L1659 PolarHBondContact O-N 3.01Å |
| 1656 | L | 46.7 | Very low | 43.3 | Very low | 73 Ų | 73 | 104.7 Ų | 104.7 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 174.5 | -69.9 | 166.2 | 0 | 0 | 0 | 111.3 | A1652 I1653 K1658 L1659 S1660 | A1652-L1656 WeakPolarHBondContact O-CB 3.24Å; A1652-L1656 WeakPolarHBondContact O-CG 3.33Å; A1652-L1656 PolarHBondContact O-N 2.96Å; I1653-L1656 PolarHBondContact O-N 3Å; L1656-K1658 PolarHBondContact O-N 3.22Å; L1656-L1659 PolarHBondContact O-N 3.32Å; L1656-S1660 PolarHBondContact O-N 2.84Å |
| 1657 | A | 47.2 | Very low | 42.9 | Very low | 52 Ų | 52 | 103.8 Ų | 103.8 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.4 | -15.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1653 S1660 C1661 | I1653-A1657 WeakPolarHBondContact O-CB 3.26Å; I1653-A1657 PolarHBondContact O-N 3.41Å; A1657-S1660 WeakPolarHBondContact CA-OG 3.44Å; A1657-S1660 PolarHBondContact O-OG 3.42Å; A1657-S1660 VanDerWaalsContact O-OG 3.07Å; A1657-C1661 PolarHBondContact O-SG 2.85Å |
| 1658 | K | 43.3 | Very low | 42.4 | Very low | 128 Ų | 128 | 107.7 Ų | 107.7 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -87.8 | -36.9 | 168.6 | -82.4 | 170.3 | -179.5 | 166.4 | 0 | 112 | S1654 R1655 L1656 S1660 C1661 Y1662 | S1654-K1658 VanDerWaalsContact O-CB 3.29Å; S1654-K1658 WeakPolarHBondContact O-CB 3.44Å; S1654-K1658 WeakPolarHBondContact O-CD 3.04Å; S1654-K1658 WeakPolarHBondContact O-CG 3.14Å; S1654-K1658 PolarHBondContact O-N 3.33Å; S1654-K1658 VanDerWaalsContact O-N 3.09Å; R1655-K1658 CarbonylContact O-C 3.57Å; R1655-K1658 PolarHBondContact O-N 3.44Å; R1655-K1658 VanDerWaalsContact O-N 3.09Å; L1656-K1658 PolarHBondContact O-N 3.22Å; K1658-S1660 VanDerWaalsContact C-N 3.31Å; K1658-S1660 PolarHBondContact O-N 3.42Å; K1658-C1661 CarbonylContact O-C 3.4Å; K1658-C1661 WeakPolarHBondContact O-CA 3.49Å; K1658-C1661 WeakPolarHBondContact O-CB 3.28Å; K1658-C1661 PolarHBondContact O-N 2.82Å; K1658-Y1662 WeakPolarHBondContact O-CB 3.44Å; K1658-Y1662 PolarHBondContact O-N 3.34Å |
| 1659 | L | 38.1 | Very low | 42.2 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.8 | -40.1 | 172.6 | -75.1 | 162.5 | 0 | 0 | 0 | 111 | R1655 L1656 C1661 Y1662 | R1655-L1659 WeakPolarHBondContact O-CG 3.43Å; R1655-L1659 PolarHBondContact O-N 3.01Å; L1656-L1659 PolarHBondContact O-N 3.32Å; L1659-C1661 PolarHBondContact O-N 3.04Å; L1659-C1661 VanDerWaalsContact O-N 3.14Å; L1659-Y1662 PolarHBondContact O-N 3.01Å |
| 1660 | S | 40.4 | Very low | 42.2 | Very low | 61 Ų | 61 | 110.3 Ų | 110.3 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -11.2 | 170.9 | 67.4 | 0 | 0 | 0 | 0 | 114.3 | L1656 A1657 K1658 | L1656-S1660 PolarHBondContact O-N 2.84Å; A1657-S1660 WeakPolarHBondContact CA-OG 3.44Å; A1657-S1660 PolarHBondContact O-OG 3.42Å; A1657-S1660 VanDerWaalsContact O-OG 3.07Å; K1658-S1660 VanDerWaalsContact C-N 3.31Å; K1658-S1660 PolarHBondContact O-N 3.42Å |
| 1661 | C | 37.1 | Very low | 41.9 | Very low | 93 Ų | 93 | 110.2 Ų | 110.2 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -2.6 | 173.3 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | A1657 K1658 L1659 | A1657-C1661 PolarHBondContact O-SG 2.85Å; K1658-C1661 CarbonylContact O-C 3.4Å; K1658-C1661 WeakPolarHBondContact O-CA 3.49Å; K1658-C1661 WeakPolarHBondContact O-CB 3.28Å; K1658-C1661 PolarHBondContact O-N 2.82Å; L1659-C1661 PolarHBondContact O-N 3.04Å; L1659-C1661 VanDerWaalsContact O-N 3.14Å |
| 1662 | Y | 35 | Very low | 41.6 | Very low | 187 Ų | 187 | 111 Ų | 111 | 73% | 0.733 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -124.2 | 35.6 | -170.3 | -102 | -87.2 | 0 | 0 | 0 | 113.9 | K1658 L1659 | K1658-Y1662 WeakPolarHBondContact O-CB 3.44Å; K1658-Y1662 PolarHBondContact O-N 3.34Å; L1659-Y1662 PolarHBondContact O-N 3.01Å |
| 1663 | N | 33.8 | Very low | 41.5 | Very low | 142 Ų | 142 | 111.1 Ų | 111.1 | 76% | 0.759 | 56% | 0.562 | S | S | * | * | trans | -157.8 | 88.1 | 157.4 | -102.6 | -34.8 | 0 | 0 | 0 | 113.2 | K1665 | N1663-K1665 PolarHBondContact O-N 3.3Š| ||
| 1664 | H | 32.1 | Very low | 41.4 | Very low | 191 Ų | 191 | 111.5 Ų | 111.5 | 88% | 0.884 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 87.4 | 165.4 | -90.5 | -82.8 | 0 | 0 | 0 | 110.5 | ||
| 1665 | K | 31.3 | Very low | 41.4 | Very low | 208 Ų | 208 | 113.3 Ų | 113.3 | 90% | 0.904 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.2 | -5.5 | 155.4 | -108.4 | 153.2 | -170.9 | 179.5 | 0 | 119.2 | N1663 | N1663-K1665 PolarHBondContact O-N 3.3Š|
| 1666 | S | 37.7 | Very low | 41.4 | Very low | 52 Ų | 52 | 109.3 Ų | 109.3 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | trans | -141.1 | 119.7 | 176.2 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | E1668 | S1666-E1668 VanDerWaalsContact C-N 3.32Å; S1666-E1668 PolarHBondContact O-N 2.84Å | ||
| 1667 | E | 41.1 | Very low | 41.6 | Very low | 160 Ų | 160 | 108.8 Ų | 108.8 | 75% | 0.748 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.7 | -31.8 | -178.6 | -169 | 167.2 | -158.1 | 0 | 0 | 112.2 | H1669 T1670 N1671 | E1667-H1669 PolarHBondContact O-N 2.91Å; E1667-T1670 PolarHBondContact O-N 2.78Å; E1667-N1671 PolarHBondContact O-N 3.42Å; E1667-N1671 VanDerWaalsContact O-N 3.15Å; E1667-N1671 PolarHBondContact O-ND2 3.44Å |
| 1668 | E | 38.4 | Very low | 41.9 | Very low | 155 Ų | 155 | 111.2 Ų | 111.2 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.3 | -38.9 | 178.2 | -59.8 | -178 | 143.9 | 0 | 0 | 113 | S1666 N1671 L1672 | S1666-E1668 VanDerWaalsContact C-N 3.32Å; S1666-E1668 PolarHBondContact O-N 2.84Å; E1668-N1671 PolarHBondContact O-N 2.69Å; E1668-L1672 PolarHBondContact O-N 3.37Å |
| 1669 | H | 41.4 | Very low | 42.2 | Very low | 127 Ų | 127 | 110.3 Ų | 110.3 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.2 | -36.9 | 178 | -100.4 | -78.1 | 0 | 0 | 0 | 112.4 | E1667 L1672 C1673 | E1667-H1669 PolarHBondContact O-N 2.91Å; H1669-L1672 PolarHBondContact O-N 3.4Å; H1669-C1673 PolarHBondContact O-N 2.7Å; H1669-C1673 PolarHBondContact O-SG 3.37Å |
| 1670 | T | 47.6 | Very low | 42.6 | Very low | 71 Ų | 71 | 109.8 Ų | 109.8 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -45.4 | 175.5 | -48.2 | 0 | 0 | 0 | 0 | 110.6 | E1667 C1673 Q1674 | E1667-T1670 PolarHBondContact O-N 2.78Å; T1670-C1673 PolarHBondContact O-N 3.07Å; T1670-Q1674 WeakPolarHBondContact O-CB 3.4Å; T1670-Q1674 PolarHBondContact O-N 3.36Å |
| 1671 | N | 45.2 | Very low | 43.1 | Very low | 83 Ų | 83 | 113 Ų | 113 | 44% | 0.444 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -43.4 | 176.2 | -70.2 | -35.1 | 0 | 0 | 0 | 112.1 | E1667 E1668 Q1674 I1675 | E1667-N1671 PolarHBondContact O-N 3.42Å; E1667-N1671 VanDerWaalsContact O-N 3.15Å; E1667-N1671 PolarHBondContact O-ND2 3.44Å; E1668-N1671 PolarHBondContact O-N 2.69Å; N1671-Q1674 PolarHBondContact O-N 2.78Å; N1671-I1675 WeakPolarHBondContact O-CD1 3.37Å; N1671-I1675 VanDerWaalsContact O-CG1 3.25Å; N1671-I1675 WeakPolarHBondContact O-CG1 3.34Å; N1671-I1675 PolarHBondContact O-N 2.78Å |
| 1672 | L | 43.6 | Very low | 43.8 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.4 | -46.2 | 176.2 | -96.7 | 165.3 | 0 | 0 | 0 | 112.8 | E1668 H1669 Q1674 I1675 V1676 | E1668-L1672 PolarHBondContact O-N 3.37Å; H1669-L1672 PolarHBondContact O-N 3.4Å; L1672-Q1674 VanDerWaalsContact C-N 3.3Å; L1672-Q1674 PolarHBondContact O-N 2.9Å; L1672-I1675 PolarHBondContact O-N 3.48Å; L1672-V1676 WeakPolarHBondContact O-CG2 3.35Å; L1672-V1676 PolarHBondContact O-N 2.76Å |
| 1673 | C | 43.1 | Very low | 44.3 | Very low | 47 Ų | 47 | 114.6 Ų | 114.6 | 32% | 0.318 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -36.9 | 175.9 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | H1669 T1670 T1677 | H1669-C1673 PolarHBondContact O-N 2.7Å; H1669-C1673 PolarHBondContact O-SG 3.37Å; T1670-C1673 PolarHBondContact O-N 3.07Å; C1673-T1677 WeakPolarHBondContact O-CB 3.41Å; C1673-T1677 PolarHBondContact O-N 3.02Å; C1673-T1677 VanDerWaalsContact O-N 3.09Å; C1673-T1677 PolarHBondContact O-OG1 3.04Å |
| 1674 | Q | 47 | Very low | 45 | Very low | 102 Ų | 102 | 113 Ų | 113 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.3 | -49.8 | 174.6 | -176.7 | 172.7 | -21.5 | 0 | 0 | 111.4 | T1670 N1671 L1672 V1676 T1677 E1678 | T1670-Q1674 WeakPolarHBondContact O-CB 3.4Å; T1670-Q1674 PolarHBondContact O-N 3.36Å; N1671-Q1674 PolarHBondContact O-N 2.78Å; L1672-Q1674 VanDerWaalsContact C-N 3.3Å; L1672-Q1674 PolarHBondContact O-N 2.9Å; Q1674-V1676 VanDerWaalsContact C-N 3.34Å; Q1674-V1676 PolarHBondContact O-N 2.89Å; Q1674-T1677 WeakPolarHBondContact O-CB 3.37Å; Q1674-T1677 PolarHBondContact O-N 3.29Å; Q1674-T1677 VanDerWaalsContact O-N 3.1Å; Q1674-E1678 HydrophobicContact CG-CG 4.29Å; Q1674-E1678 VanDerWaalsContact CG-OE1 3.31Å; Q1674-E1678 WeakPolarHBondContact CG-OE1 3.35Å; Q1674-E1678 PolarHBondContact NE2-OE1 3.33Å; Q1674-E1678 WeakPolarHBondContact O-CG 3.2Å; Q1674-E1678 PolarHBondContact O-N 3.32Å |
| 1675 | I | 51.1 | Low | 45.8 | Very low | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 179.2 | -69.1 | 162.7 | 0 | 0 | 0 | 111.8 | N1671 L1672 Q1679 | N1671-I1675 WeakPolarHBondContact O-CD1 3.37Å; N1671-I1675 VanDerWaalsContact O-CG1 3.25Å; N1671-I1675 WeakPolarHBondContact O-CG1 3.34Å; N1671-I1675 PolarHBondContact O-N 2.78Å; L1672-I1675 PolarHBondContact O-N 3.48Å; I1675-Q1679 WeakPolarHBondContact O-CB 3.5Å; I1675-Q1679 WeakPolarHBondContact O-CG 3.46Å; I1675-Q1679 PolarHBondContact O-N 3.31Å |
| 1676 | V | 47.5 | Very low | 46.5 | Very low | 80 Ų | 80 | 103.9 Ų | 103.9 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | L1672 Q1674 L1680 | L1672-V1676 WeakPolarHBondContact O-CG2 3.35Å; L1672-V1676 PolarHBondContact O-N 2.76Å; Q1674-V1676 VanDerWaalsContact C-N 3.34Å; Q1674-V1676 PolarHBondContact O-N 2.89Å; V1676-L1680 HydrophobicContact CG1-CD1 4.07Å; V1676-L1680 WeakPolarHBondContact O-CG 3.41Å; V1676-L1680 PolarHBondContact O-N 2.9Å; V1676-L1680 VanDerWaalsContact O-N 3.09Å |
| 1677 | T | 50.9 | Low | 46.7 | Very low | 61 Ų | 61 | 104.9 Ų | 104.9 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -49.1 | 176.5 | -54.4 | 0 | 0 | 0 | 0 | 111 | C1673 Q1674 Q1679 L1680 E1681 | C1673-T1677 WeakPolarHBondContact O-CB 3.41Å; C1673-T1677 PolarHBondContact O-N 3.02Å; C1673-T1677 VanDerWaalsContact O-N 3.09Å; C1673-T1677 PolarHBondContact O-OG1 3.04Å; Q1674-T1677 WeakPolarHBondContact O-CB 3.37Å; Q1674-T1677 PolarHBondContact O-N 3.29Å; Q1674-T1677 VanDerWaalsContact O-N 3.1Å; T1677-Q1679 PolarHBondContact O-N 3.47Å; T1677-L1680 PolarHBondContact O-N 3.38Å; T1677-E1681 PolarHBondContact O-N 3.45Å |
| 1678 | E | 53.6 | Low | 46.9 | Very low | 103 Ų | 103 | 103.2 Ų | 103.2 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 178.3 | -71.6 | 177.4 | -176.2 | 0 | 0 | 112.2 | Q1674 W1682 | Q1674-E1678 HydrophobicContact CG-CG 4.29Å; Q1674-E1678 VanDerWaalsContact CG-OE1 3.31Å; Q1674-E1678 WeakPolarHBondContact CG-OE1 3.35Å; Q1674-E1678 PolarHBondContact NE2-OE1 3.33Å; Q1674-E1678 WeakPolarHBondContact O-CG 3.2Å; Q1674-E1678 PolarHBondContact O-N 3.32Å; E1678-W1682 WeakPolarHBondContact O-CB 3.27Å; E1678-W1682 PolarHBondContact O-N 2.85Å |
| 1679 | Q | 49.8 | Very low | 47 | Very low | 109 Ų | 109 | 99.6 Ų | 99.6 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 174.8 | -78.7 | -157.9 | 26.7 | 0 | 0 | 113.1 | I1675 T1677 R1683 | I1675-Q1679 WeakPolarHBondContact O-CB 3.5Å; I1675-Q1679 WeakPolarHBondContact O-CG 3.46Å; I1675-Q1679 PolarHBondContact O-N 3.31Å; T1677-Q1679 PolarHBondContact O-N 3.47Å; Q1679-R1683 WeakPolarHBondContact O-CB 3.32Å; Q1679-R1683 WeakPolarHBondContact O-CG 3.19Å; Q1679-R1683 PolarHBondContact O-N 3.35Å |
| 1680 | L | 46.9 | Very low | 46.8 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 177.2 | -74.1 | 169.6 | 0 | 0 | 0 | 111 | V1676 T1677 W1682 R1683 F1684 | V1676-L1680 HydrophobicContact CG1-CD1 4.07Å; V1676-L1680 WeakPolarHBondContact O-CG 3.41Å; V1676-L1680 PolarHBondContact O-N 2.9Å; V1676-L1680 VanDerWaalsContact O-N 3.09Å; T1677-L1680 PolarHBondContact O-N 3.38Å; L1680-W1682 VanDerWaalsContact C-N 3.32Å; L1680-W1682 PolarHBondContact O-N 2.86Å; L1680-R1683 PolarHBondContact O-N 2.94Å; L1680-F1684 VanDerWaalsContact O-CD2 3.27Å; L1680-F1684 WeakPolarHBondContact O-CD2 3.47Å; L1680-F1684 PolarHBondContact O-N 3.33Å |
| 1681 | E | 51.9 | Low | 46.4 | Very low | 127 Ų | 127 | 100.8 Ų | 100.8 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -39.3 | 175.8 | -71 | -166 | 147.2 | 0 | 0 | 112.1 | T1677 S1685 | T1677-E1681 PolarHBondContact O-N 3.45Å; E1681-S1685 WeakPolarHBondContact O-CB 3.21Å; E1681-S1685 PolarHBondContact O-N 3.15Å; E1681-S1685 PolarHBondContact O-OG 3.03Å |
| 1682 | W | 50.7 | Low | 45.9 | Very low | 152 Ų | 152 | 99.6 Ų | 99.6 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.3 | -45.3 | 174.5 | -176 | 92 | 0 | 0 | 0 | 112.3 | E1678 L1680 S1685 R1686 | E1678-W1682 WeakPolarHBondContact O-CB 3.27Å; E1678-W1682 PolarHBondContact O-N 2.85Å; L1680-W1682 VanDerWaalsContact C-N 3.32Å; L1680-W1682 PolarHBondContact O-N 2.86Å; W1682-S1685 PolarHBondContact O-N 2.96Å; W1682-R1686 VanDerWaalsContact CH2-NH1 3.26Å; W1682-R1686 WeakPolarHBondContact O-CB 3.22Å; W1682-R1686 PolarHBondContact O-N 2.9Å |
| 1683 | R | 44.9 | Very low | 45.6 | Very low | 163 Ų | 163 | 96.8 Ų | 96.8 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 176.9 | -77 | -176.7 | -176.9 | -126.2 | 3.7 | 111.6 | Q1679 L1680 R1686 L1687 | Q1679-R1683 WeakPolarHBondContact O-CB 3.32Å; Q1679-R1683 WeakPolarHBondContact O-CG 3.19Å; Q1679-R1683 PolarHBondContact O-N 3.35Å; L1680-R1683 PolarHBondContact O-N 2.94Å; R1683-R1686 PolarHBondContact O-N 3.16Å; R1683-L1687 WeakPolarHBondContact O-CB 3.24Å; R1683-L1687 PolarHBondContact O-N 2.8Å |
| 1684 | F | 49.8 | Very low | 45.2 | Very low | 109 Ų | 109 | 97 Ų | 97 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -34.9 | 176.5 | -80.5 | -65.1 | 0 | 0 | 0 | 113 | L1680 L1687 R1688 | L1680-F1684 VanDerWaalsContact O-CD2 3.27Å; L1680-F1684 WeakPolarHBondContact O-CD2 3.47Å; L1680-F1684 PolarHBondContact O-N 3.33Å; F1684-L1687 PolarHBondContact O-N 2.89Å; F1684-R1688 WeakPolarHBondContact O-CG 3.35Å; F1684-R1688 PolarHBondContact O-N 2.98Å |
| 1685 | S | 48.9 | Very low | 44.6 | Very low | 63 Ų | 63 | 95.4 Ų | 95.4 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 173.8 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | E1681 W1682 R1688 A1689 | E1681-S1685 WeakPolarHBondContact O-CB 3.21Å; E1681-S1685 PolarHBondContact O-N 3.15Å; E1681-S1685 PolarHBondContact O-OG 3.03Å; W1682-S1685 PolarHBondContact O-N 2.96Å; S1685-R1688 PolarHBondContact O-N 3.05Å; S1685-A1689 WeakPolarHBondContact O-CB 3.3Å; S1685-A1689 PolarHBondContact O-N 3.34Å |
| 1686 | R | 45.1 | Very low | 44 | Very low | 143 Ų | 143 | 96.1 Ų | 96.1 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 172.3 | -170.9 | 168.8 | 179.1 | 143.7 | -1.5 | 111.9 | W1682 R1683 A1689 M1690 | W1682-R1686 VanDerWaalsContact CH2-NH1 3.26Å; W1682-R1686 WeakPolarHBondContact O-CB 3.22Å; W1682-R1686 PolarHBondContact O-N 2.9Å; R1683-R1686 PolarHBondContact O-N 3.16Å; R1686-A1689 PolarHBondContact O-N 3.02Å; R1686-M1690 HydrophobicContact CG-SD 4.22Å; R1686-M1690 WeakPolarHBondContact O-CB 3.46Å; R1686-M1690 VanDerWaalsContact O-CG 3.31Å; R1686-M1690 WeakPolarHBondContact O-CG 3.46Å; R1686-M1690 PolarHBondContact O-N 2.73Å |
| 1687 | L | 41.9 | Very low | 43.4 | Very low | 74 Ų | 74 | 94.1 Ų | 94.1 | 39% | 0.387 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 174.1 | -149.7 | 88.5 | 0 | 0 | 0 | 111.7 | R1683 F1684 A1689 M1690 L1691 | R1683-L1687 WeakPolarHBondContact O-CB 3.24Å; R1683-L1687 PolarHBondContact O-N 2.8Å; F1684-L1687 PolarHBondContact O-N 2.89Å; L1687-A1689 VanDerWaalsContact C-N 3.34Å; L1687-A1689 PolarHBondContact O-N 3.4Å; L1687-M1690 PolarHBondContact O-N 2.75Å; L1687-L1691 HydrophobicContact CD2-CD1 4.1Å; L1687-L1691 HydrophobicContact CG-CD1 4.03Å; L1687-L1691 WeakPolarHBondContact O-CB 3.46Å; L1687-L1691 WeakPolarHBondContact O-CG 3.49Å; L1687-L1691 PolarHBondContact O-N 3.38Å |
| 1688 | R | 45.2 | Very low | 42.4 | Very low | 124 Ų | 124 | 94.9 Ų | 94.9 | 47% | 0.468 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 173.4 | -74.1 | 177.8 | -177 | 155.4 | 3.2 | 111.7 | F1684 S1685 L1691 G1692 L1693 | F1684-R1688 WeakPolarHBondContact O-CG 3.35Å; F1684-R1688 PolarHBondContact O-N 2.98Å; S1685-R1688 PolarHBondContact O-N 3.05Å; R1688-L1691 PolarHBondContact O-N 2.83Å; R1688-G1692 PolarHBondContact O-N 2.84Å; R1688-G1692 VanDerWaalsContact O-N 3.16Å; R1688-L1693 HydrophobicContact CB-CB 4.49Å; R1688-L1693 PolarHBondContact O-N 3.29Å |
| 1689 | A | 41.4 | Very low | 41.6 | Very low | 79 Ų | 79 | 95.5 Ų | 95.5 | 65% | 0.653 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1685 R1686 L1687 G1692 | S1685-A1689 WeakPolarHBondContact O-CB 3.3Å; S1685-A1689 PolarHBondContact O-N 3.34Å; R1686-A1689 PolarHBondContact O-N 3.02Å; L1687-A1689 VanDerWaalsContact C-N 3.34Å; L1687-A1689 PolarHBondContact O-N 3.4Å; A1689-G1692 PolarHBondContact O-N 2.8Å |
| 1690 | M | 37.3 | Very low | 41.2 | Very low | 146 Ų | 146 | 92.8 Ų | 92.8 | 72% | 0.719 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.1 | -34 | 177.4 | -75.9 | 176.8 | 59.7 | 0 | 0 | 113.3 | R1686 L1687 | R1686-M1690 HydrophobicContact CG-SD 4.22Å; R1686-M1690 WeakPolarHBondContact O-CB 3.46Å; R1686-M1690 VanDerWaalsContact O-CG 3.31Å; R1686-M1690 WeakPolarHBondContact O-CG 3.46Å; R1686-M1690 PolarHBondContact O-N 2.73Å; L1687-M1690 PolarHBondContact O-N 2.75Å |
| 1691 | L | 38.4 | Very low | 40.6 | Very low | 78 Ų | 78 | 93.1 Ų | 93.1 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3 | -179.5 | -64.6 | 171.2 | 0 | 0 | 0 | 113.4 | L1687 R1688 L1693 | L1687-L1691 HydrophobicContact CD2-CD1 4.1Å; L1687-L1691 HydrophobicContact CG-CD1 4.03Å; L1687-L1691 WeakPolarHBondContact O-CB 3.46Å; L1687-L1691 WeakPolarHBondContact O-CG 3.49Å; L1687-L1691 PolarHBondContact O-N 3.38Å; R1688-L1691 PolarHBondContact O-N 2.83Å; L1691-L1693 HydrophobicContact CB-CD1 3.69Å; L1691-L1693 HydrophobicContact CB-CG 3.64Å; L1691-L1693 HydrophobicContact CD1-CD1 3.76Å; L1691-L1693 HydrophobicContact CG-CD1 4.39Å; L1691-L1693 PolarHBondContact O-N 2.98Å |
| 1692 | G | 34.6 | Very low | 39.8 | Very low | 57 Ų | 57 | 91.5 Ų | 91.5 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 16.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1688 A1689 S1694 | R1688-G1692 PolarHBondContact O-N 2.84Å; R1688-G1692 VanDerWaalsContact O-N 3.16Å; A1689-G1692 PolarHBondContact O-N 2.8Å; G1692-S1694 PolarHBondContact O-N 3.42Å; G1692-S1694 VanDerWaalsContact O-N 3.09Å |
| 1693 | L | 37.2 | Very low | 39.2 | Very low | 46 Ų | 46 | 85.6 Ų | 85.6 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | trans | -77.6 | 100.9 | -170.2 | -67.6 | 173.1 | 0 | 0 | 0 | 111.3 | R1688 L1691 C1697 | R1688-L1693 HydrophobicContact CB-CB 4.49Å; R1688-L1693 PolarHBondContact O-N 3.29Å; L1691-L1693 HydrophobicContact CB-CD1 3.69Å; L1691-L1693 HydrophobicContact CB-CG 3.64Å; L1691-L1693 HydrophobicContact CD1-CD1 3.76Å; L1691-L1693 HydrophobicContact CG-CD1 4.39Å; L1691-L1693 PolarHBondContact O-N 2.98Å; L1693-C1697 WeakPolarHBondContact CD2-O 3.42Å | ||
| 1694 | S | 35.2 | Very low | 38.9 | Very low | 50 Ų | 50 | 83.3 Ų | 83.3 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | trans | -47.8 | 139.5 | 155.3 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | G1692 V1696 C1697 | G1692-S1694 PolarHBondContact O-N 3.42Å; G1692-S1694 VanDerWaalsContact O-N 3.09Å; S1694-V1696 PolarHBondContact O-N 3.43Å; S1694-C1697 PolarHBondContact O-N 2.71Å | ||
| 1695 | P | 33.3 | Very low | 38.4 | Very low | 70 Ų | 70 | 83 Ų | 83 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 20.4 | 179 | -23.9 | 34.4 | 0 | 0 | 0 | 116.6 | Q139 | Q139-P1695 VanDerWaalsContact NE2-CG 3.31Š|
| 1696 | V | 39.2 | Very low | 38 | Very low | 99 Ų | 99 | 84.6 Ų | 84.6 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.5 | -8 | -168.2 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | S1694 | S1694-V1696 PolarHBondContact O-N 3.43Š|
| 1697 | C | 34.4 | Very low | 37.9 | Very low | 38 Ų | 38 | 80.1 Ų | 80.1 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | trans | -126.9 | 108.3 | -168.1 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | L1693 S1694 | L1693-C1697 WeakPolarHBondContact CD2-O 3.42Å; S1694-C1697 PolarHBondContact O-N 2.71Å | ||
| 1698 | V | 31 | Very low | 37.9 | Very low | 77 Ų | 77 | 79.2 Ų | 79.2 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | trans | -135.6 | 43.8 | 172.5 | -163.5 | 0 | 0 | 0 | 0 | 110.9 | I1707 | V1698-I1707 HydrophobicContact CG1-CD1 3.71Š| ||
| 1699 | E | 36.8 | Very low | 37.9 | Very low | 116 Ų | 116 | 76.5 Ų | 76.5 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | trans | -111.4 | -8.5 | -168.5 | -81.9 | -64.6 | 98.2 | 0 | 0 | 115.5 | R1704 | E1699-R1704 PolarHBondContact O-NH1 2.99Å; E1699-R1704 PolarHBondContact O-NH2 3.43Å; E1699-R1704 IonicContact OE1-CZ 3.87Å; E1699-R1704 IonicContact OE1-NE 3.83Å; E1699-R1704 IonicContact OE1-NH2 3.27Å; E1699-R1704 PolarHBondContact OE1-NH2 3.16Å; E1699-R1704 IonicContact OE2-CZ 3.92Å; E1699-R1704 IonicContact OE2-NH2 3.92Å; E1699-R1704 PolarHBondContact OE2-NH2 3.41Å | ||
| 1700 | A | 40.7 | Very low | 38.1 | Very low | 52 Ų | 52 | 75.8 Ų | 75.8 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | trans | -76.4 | 128 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1702 A1703 R1704 | A1700-V1702 VanDerWaalsContact C-N 3.28Å; A1700-V1702 PolarHBondContact O-N 2.55Å; A1700-A1703 HydrophobicContact CB-CB 4.02Å; A1700-A1703 WeakPolarHBondContact O-CA 3.43Å; A1700-A1703 WeakPolarHBondContact O-CB 3.35Å; A1700-A1703 PolarHBondContact O-N 2.77Å; A1700-R1704 WeakPolarHBondContact O-CG 3.41Å; A1700-R1704 PolarHBondContact O-N 3.01Å | ||
| 1701 | P | 34.6 | Very low | 38.4 | Very low | 93 Ų | 93 | 71.2 Ų | 71.2 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -53.8 | -38.9 | 179.6 | -29.2 | 36 | 0 | 0 | 0 | 114.7 | R1704 V1705 | P1701-R1704 WeakPolarHBondContact O-CB 3.36Å; P1701-R1704 PolarHBondContact O-N 3.34Å; P1701-V1705 PolarHBondContact O-N 3.34Å |
| 1702 | V | 34.8 | Very low | 38.9 | Very low | 93 Ų | 93 | 74.6 Ų | 74.6 | 56% | 0.564 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | A1700 V1705 L1706 | A1700-V1702 VanDerWaalsContact C-N 3.28Å; A1700-V1702 PolarHBondContact O-N 2.55Å; V1702-V1705 PolarHBondContact O-N 3.09Å; V1702-L1706 HydrophobicContact CG1-CD1 4.32Å; V1702-L1706 PolarHBondContact O-N 3.09Å; V1702-L1706 VanDerWaalsContact O-N 3.17Å |
| 1703 | A | 39.2 | Very low | 39.8 | Very low | 27 Ų | 27 | 79.8 Ų | 79.8 | 22% | 0.223 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69 | -35.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1700 V1705 L1706 I1707 | A1700-A1703 HydrophobicContact CB-CB 4.02Å; A1700-A1703 WeakPolarHBondContact O-CA 3.43Å; A1700-A1703 WeakPolarHBondContact O-CB 3.35Å; A1700-A1703 PolarHBondContact O-N 2.77Å; A1703-V1705 VanDerWaalsContact C-N 3.34Å; A1703-V1705 PolarHBondContact O-N 3.02Å; A1703-L1706 PolarHBondContact O-N 3.27Å; A1703-I1707 HydrophobicContact CB-CD1 4.43Å; A1703-I1707 VanDerWaalsContact O-CB 3.27Å; A1703-I1707 WeakPolarHBondContact O-CB 3.4Å; A1703-I1707 WeakPolarHBondContact O-CD1 3.1Å; A1703-I1707 WeakPolarHBondContact O-CG1 3.25Å; A1703-I1707 PolarHBondContact O-N 3.41Å |
| 1704 | R | 37.7 | Very low | 40.2 | Very low | 115 Ų | 115 | 80.6 Ų | 80.6 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 174.9 | -68.9 | 173 | 177.8 | 152 | -7.6 | 111.6 | E1699 A1700 P1701 A1708 | E1699-R1704 PolarHBondContact O-NH1 2.99Å; E1699-R1704 PolarHBondContact O-NH2 3.43Å; E1699-R1704 IonicContact OE1-CZ 3.87Å; E1699-R1704 IonicContact OE1-NE 3.83Å; E1699-R1704 IonicContact OE1-NH2 3.27Å; E1699-R1704 PolarHBondContact OE1-NH2 3.16Å; E1699-R1704 IonicContact OE2-CZ 3.92Å; E1699-R1704 IonicContact OE2-NH2 3.92Å; E1699-R1704 PolarHBondContact OE2-NH2 3.41Å; A1700-R1704 WeakPolarHBondContact O-CG 3.41Å; A1700-R1704 PolarHBondContact O-N 3.01Å; P1701-R1704 WeakPolarHBondContact O-CB 3.36Å; P1701-R1704 PolarHBondContact O-N 3.34Å; R1704-A1708 WeakPolarHBondContact O-CB 3.29Å; R1704-A1708 PolarHBondContact O-N 3.46Å |
| 1705 | V | 39.6 | Very low | 40.8 | Very low | 104 Ų | 104 | 81.6 Ų | 81.6 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.2 | -49.1 | 175.9 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | P1701 V1702 A1703 I1707 A1708 D1709 | P1701-V1705 PolarHBondContact O-N 3.34Å; V1702-V1705 PolarHBondContact O-N 3.09Å; A1703-V1705 VanDerWaalsContact C-N 3.34Å; A1703-V1705 PolarHBondContact O-N 3.02Å; V1705-I1707 PolarHBondContact O-N 3.06Å; V1705-A1708 PolarHBondContact O-N 3.47Å; V1705-D1709 PolarHBondContact O-N 2.99Å; V1705-D1709 VanDerWaalsContact O-N 3.11Å |
| 1706 | L | 40.2 | Very low | 41.4 | Very low | 96 Ų | 96 | 82.2 Ų | 82.2 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 180 | -76.2 | 166 | 0 | 0 | 0 | 112.8 | V1702 A1703 I1710 | V1702-L1706 HydrophobicContact CG1-CD1 4.32Å; V1702-L1706 PolarHBondContact O-N 3.09Å; V1702-L1706 VanDerWaalsContact O-N 3.17Å; A1703-L1706 PolarHBondContact O-N 3.27Å; L1706-I1710 WeakPolarHBondContact O-CB 3.08Å; L1706-I1710 WeakPolarHBondContact O-CD1 3.06Å; L1706-I1710 VanDerWaalsContact O-CG1 3.25Å; L1706-I1710 WeakPolarHBondContact O-CG1 3.13Å; L1706-I1710 PolarHBondContact O-N 3.15Å; L1706-I1710 VanDerWaalsContact O-N 3.09Å |
| 1707 | I | 42.5 | Very low | 41.7 | Very low | 49 Ų | 49 | 83.5 Ų | 83.5 | 25% | 0.251 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.5 | -38.2 | 177.3 | -69.5 | 166.8 | 0 | 0 | 0 | 110.8 | V1698 A1703 V1705 I1710 V1711 | V1698-I1707 HydrophobicContact CG1-CD1 3.71Å; A1703-I1707 HydrophobicContact CB-CD1 4.43Å; A1703-I1707 VanDerWaalsContact O-CB 3.27Å; A1703-I1707 WeakPolarHBondContact O-CB 3.4Å; A1703-I1707 WeakPolarHBondContact O-CD1 3.1Å; A1703-I1707 WeakPolarHBondContact O-CG1 3.25Å; A1703-I1707 PolarHBondContact O-N 3.41Å; V1705-I1707 PolarHBondContact O-N 3.06Å; I1707-I1710 PolarHBondContact O-N 2.92Å; I1707-V1711 HydrophobicContact CG2-CG2 4.18Å; I1707-V1711 VanDerWaalsContact O-CB 3.31Å; I1707-V1711 WeakPolarHBondContact O-CB 3.19Å; I1707-V1711 WeakPolarHBondContact O-CG2 3.17Å; I1707-V1711 PolarHBondContact O-N 3.03Å |
| 1708 | A | 42.3 | Very low | 42.2 | Very low | 54 Ų | 54 | 87.2 Ų | 87.2 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1704 V1705 I1710 V1711 E1712 | R1704-A1708 WeakPolarHBondContact O-CB 3.29Å; R1704-A1708 PolarHBondContact O-N 3.46Å; V1705-A1708 PolarHBondContact O-N 3.47Å; A1708-I1710 PolarHBondContact O-N 3.07Å; A1708-V1711 PolarHBondContact O-N 3.2Å; A1708-V1711 VanDerWaalsContact O-N 3.14Å; A1708-E1712 PolarHBondContact O-N 3.29Å |
| 1709 | D | 45.9 | Very low | 42.8 | Very low | 68 Ų | 68 | 90.5 Ų | 90.5 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 178.3 | -176.4 | 18.7 | 0 | 0 | 0 | 112.2 | V1705 V1711 R1713 | V1705-D1709 PolarHBondContact O-N 2.99Å; V1705-D1709 VanDerWaalsContact O-N 3.11Å; D1709-V1711 PolarHBondContact O-N 3.05Å; D1709-R1713 WeakPolarHBondContact O-CD 3.42Å; D1709-R1713 VanDerWaalsContact O-CG 3.23Å; D1709-R1713 WeakPolarHBondContact O-CG 2.91Å; D1709-R1713 PolarHBondContact O-N 3.14Å; D1709-R1713 IonicContact OD1-CZ 3.59Å; D1709-R1713 IonicContact OD1-NE 2.7Å; D1709-R1713 PolarHBondContact OD1-NE 3.09Å; D1709-R1713 IonicContact OD1-NH2 3.96Å; D1709-R1713 PolarHBondContact OD1-NH2 2.84Å; D1709-R1713 IonicContact OD2-CZ 2.66Å; D1709-R1713 IonicContact OD2-NE 3.35Å; D1709-R1713 IonicContact OD2-NH2 3.92Å; D1709-R1713 PolarHBondContact OD2-NH2 3.13Å |
| 1710 | I | 44.6 | Very low | 43.2 | Very low | 63 Ų | 63 | 87.7 Ų | 87.7 | 32% | 0.323 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 174 | -69.2 | 166.4 | 0 | 0 | 0 | 111.8 | L1706 I1707 A1708 L1714 | L1706-I1710 WeakPolarHBondContact O-CB 3.08Å; L1706-I1710 WeakPolarHBondContact O-CD1 3.06Å; L1706-I1710 VanDerWaalsContact O-CG1 3.25Å; L1706-I1710 WeakPolarHBondContact O-CG1 3.13Å; L1706-I1710 PolarHBondContact O-N 3.15Å; L1706-I1710 VanDerWaalsContact O-N 3.09Å; I1707-I1710 PolarHBondContact O-N 2.92Å; A1708-I1710 PolarHBondContact O-N 3.07Å; I1710-L1714 HydrophobicContact CG2-CD1 4.05Å; I1710-L1714 WeakPolarHBondContact O-CG 3.1Å; I1710-L1714 PolarHBondContact O-N 2.81Å |
| 1711 | V | 45.1 | Very low | 43.2 | Very low | 51 Ų | 51 | 87.5 Ų | 87.5 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.2 | -41.1 | -179.7 | 167.6 | 0 | 0 | 0 | 0 | 112.1 | L1645 I1707 A1708 D1709 R1713 L1714 I1715 | L1645-V1711 HydrophobicContact CD1-CG1 4.41Å; I1707-V1711 HydrophobicContact CG2-CG2 4.18Å; I1707-V1711 VanDerWaalsContact O-CB 3.31Å; I1707-V1711 WeakPolarHBondContact O-CB 3.19Å; I1707-V1711 WeakPolarHBondContact O-CG2 3.17Å; I1707-V1711 PolarHBondContact O-N 3.03Å; A1708-V1711 PolarHBondContact O-N 3.2Å; A1708-V1711 VanDerWaalsContact O-N 3.14Å; D1709-V1711 PolarHBondContact O-N 3.05Å; V1711-R1713 PolarHBondContact O-N 3.09Å; V1711-L1714 PolarHBondContact O-N 3.45Å; V1711-I1715 HydrophobicContact CG1-CD1 4.23Å; V1711-I1715 HydrophobicContact CG1-CG1 4.42Å; V1711-I1715 WeakPolarHBondContact O-CG1 3.48Å; V1711-I1715 PolarHBondContact O-N 2.82Å |
| 1712 | E | 48.3 | Very low | 43.4 | Very low | 148 Ų | 148 | 86 Ų | 86 | 69% | 0.692 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.7 | -35.7 | 175.4 | -72.9 | -158 | 143.5 | 0 | 0 | 111.9 | A1708 L1714 P1716 | A1708-E1712 PolarHBondContact O-N 3.29Å; E1712-L1714 VanDerWaalsContact C-N 3.34Å; E1712-L1714 PolarHBondContact O-N 3.21Å; E1712-P1716 VanDerWaalsContact O-CD 3.31Å; E1712-P1716 WeakPolarHBondContact O-CD 3.31Å |
| 1713 | R | 53.3 | Low | 43.7 | Very low | 167 Ų | 167 | 84.4 Ų | 84.4 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.8 | -26 | 174.1 | -65.1 | 169.1 | -163.6 | -142.2 | 9 | 113.9 | D1709 V1711 | D1709-R1713 WeakPolarHBondContact O-CD 3.42Å; D1709-R1713 VanDerWaalsContact O-CG 3.23Å; D1709-R1713 WeakPolarHBondContact O-CG 2.91Å; D1709-R1713 PolarHBondContact O-N 3.14Å; D1709-R1713 IonicContact OD1-CZ 3.59Å; D1709-R1713 IonicContact OD1-NE 2.7Å; D1709-R1713 PolarHBondContact OD1-NE 3.09Å; D1709-R1713 IonicContact OD1-NH2 3.96Å; D1709-R1713 PolarHBondContact OD1-NH2 2.84Å; D1709-R1713 IonicContact OD2-CZ 2.66Å; D1709-R1713 IonicContact OD2-NE 3.35Å; D1709-R1713 IonicContact OD2-NH2 3.92Å; D1709-R1713 PolarHBondContact OD2-NH2 3.13Å; V1711-R1713 PolarHBondContact O-N 3.09Å |
| 1714 | L | 45 | Very low | 43.7 | Very low | 63 Ų | 63 | 87.1 Ų | 87.1 | 33% | 0.33 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -91.1 | -20.9 | -179.8 | -73.2 | 168.1 | 0 | 0 | 0 | 114.1 | I1710 V1711 E1712 P1716 E1717 L1718 | I1710-L1714 HydrophobicContact CG2-CD1 4.05Å; I1710-L1714 WeakPolarHBondContact O-CG 3.1Å; I1710-L1714 PolarHBondContact O-N 2.81Å; V1711-L1714 PolarHBondContact O-N 3.45Å; E1712-L1714 VanDerWaalsContact C-N 3.34Å; E1712-L1714 PolarHBondContact O-N 3.21Å; L1714-P1716 VanDerWaalsContact C-CD 3.5Å; L1714-E1717 PolarHBondContact O-N 3.48Å; L1714-L1718 PolarHBondContact O-N 2.72Å |
| 1715 | I | 47.3 | Very low | 43.8 | Very low | 71 Ų | 71 | 86.3 Ų | 86.3 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.2 | -39.7 | 178.1 | -76.1 | 168.8 | 0 | 0 | 0 | 113.4 | V1711 K1719 | V1711-I1715 HydrophobicContact CG1-CD1 4.23Å; V1711-I1715 HydrophobicContact CG1-CG1 4.42Å; V1711-I1715 WeakPolarHBondContact O-CG1 3.48Å; V1711-I1715 PolarHBondContact O-N 2.82Å; I1715-K1719 HydrophobicContact CG2-CD 3.95Å; I1715-K1719 HydrophobicContact CG2-CG 4.5Å; I1715-K1719 WeakPolarHBondContact O-CB 3.49Å; I1715-K1719 WeakPolarHBondContact O-CG 3.2Å; I1715-K1719 PolarHBondContact O-N 2.78Å |
| 1716 | P | 47.6 | Very low | 43.7 | Very low | 82 Ų | 82 | 86.3 Ų | 86.3 | 53% | 0.532 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.2 | -25.2 | 35.5 | 0 | 0 | 0 | 113.7 | E1712 L1714 K1719 S1720 | E1712-P1716 VanDerWaalsContact O-CD 3.31Å; E1712-P1716 WeakPolarHBondContact O-CD 3.31Å; L1714-P1716 VanDerWaalsContact C-CD 3.5Å; P1716-K1719 PolarHBondContact O-N 3.43Å; P1716-S1720 PolarHBondContact O-N 2.85Å |
| 1717 | E | 45.8 | Very low | 43.6 | Very low | 126 Ų | 126 | 85.2 Ų | 85.2 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 179.1 | -60.5 | -169.9 | 158.3 | 0 | 0 | 111.6 | L1714 K1719 S1720 A1721 | L1714-E1717 PolarHBondContact O-N 3.48Å; E1717-K1719 VanDerWaalsContact C-N 3.3Å; E1717-K1719 PolarHBondContact O-N 2.81Å; E1717-S1720 PolarHBondContact O-N 2.73Å; E1717-S1720 PolarHBondContact O-OG 2.79Å; E1717-A1721 WeakPolarHBondContact O-CB 3.36Å; E1717-A1721 PolarHBondContact O-N 3.45Å |
| 1718 | L | 43.4 | Very low | 43.3 | Very low | 117 Ų | 117 | 85.1 Ų | 85.1 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.2 | -33.2 | 174.9 | -70.4 | 168.7 | 0 | 0 | 0 | 112.1 | L1714 S1722 | L1714-L1718 PolarHBondContact O-N 2.72Å; L1718-S1722 PolarHBondContact O-N 2.97Å |
| 1719 | K | 45 | Very low | 43 | Very low | 145 Ų | 145 | 87.5 Ų | 87.5 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.8 | -36.9 | 174.1 | -78.8 | 174.7 | 177.8 | 172.8 | 0 | 112.8 | I1715 P1716 E1717 S1722 S1723 | I1715-K1719 HydrophobicContact CG2-CD 3.95Å; I1715-K1719 HydrophobicContact CG2-CG 4.5Å; I1715-K1719 WeakPolarHBondContact O-CB 3.49Å; I1715-K1719 WeakPolarHBondContact O-CG 3.2Å; I1715-K1719 PolarHBondContact O-N 2.78Å; P1716-K1719 PolarHBondContact O-N 3.43Å; E1717-K1719 VanDerWaalsContact C-N 3.3Å; E1717-K1719 PolarHBondContact O-N 2.81Å; K1719-S1722 PolarHBondContact O-N 2.98Å; K1719-S1723 PolarHBondContact O-N 3.38Å; K1719-S1723 PolarHBondContact O-OG 3.08Å |
| 1720 | S | 43.8 | Very low | 42.6 | Very low | 58 Ų | 58 | 87.8 Ų | 87.8 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.8 | -39.2 | 174.3 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | P1716 E1717 S1722 S1723 M1724 | P1716-S1720 PolarHBondContact O-N 2.85Å; E1717-S1720 PolarHBondContact O-N 2.73Å; E1717-S1720 PolarHBondContact O-OG 2.79Å; S1720-S1722 VanDerWaalsContact C-N 3.31Å; S1720-S1722 PolarHBondContact O-N 3.13Å; S1720-S1723 PolarHBondContact O-N 2.74Å; S1720-S1723 PolarHBondContact O-OG 3.01Å; S1720-M1724 WeakPolarHBondContact O-CB 3.31Å; S1720-M1724 VanDerWaalsContact O-CG 3.3Å; S1720-M1724 WeakPolarHBondContact O-CG 3.44Å; S1720-M1724 PolarHBondContact O-N 3.05Å |
| 1721 | A | 41.4 | Very low | 42 | Very low | 48 Ų | 48 | 91.3 Ų | 91.3 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -40 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1717 L1725 | E1717-A1721 WeakPolarHBondContact O-CB 3.36Å; E1717-A1721 PolarHBondContact O-N 3.45Å; A1721-L1725 WeakPolarHBondContact O-CG 3.44Å; A1721-L1725 PolarHBondContact O-N 3.38Å |
| 1722 | S | 38 | Very low | 41.6 | Very low | 60 Ų | 60 | 95.3 Ų | 95.3 | 42% | 0.42 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 174.7 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | L1718 K1719 S1720 M1724 L1725 D1726 | L1718-S1722 PolarHBondContact O-N 2.97Å; K1719-S1722 PolarHBondContact O-N 2.98Å; S1720-S1722 VanDerWaalsContact C-N 3.31Å; S1720-S1722 PolarHBondContact O-N 3.13Å; S1722-M1724 VanDerWaalsContact C-N 3.28Å; S1722-M1724 PolarHBondContact O-N 2.98Å; S1722-L1725 WeakPolarHBondContact O-CB 3.36Å; S1722-L1725 PolarHBondContact O-N 3.44Å; S1722-D1726 PolarHBondContact O-N 2.67Å |
| 1723 | S | 42.6 | Very low | 40.8 | Very low | 60 Ų | 60 | 95.1 Ų | 95.1 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -27.9 | -177.6 | 64.8 | 0 | 0 | 0 | 0 | 113 | K1719 S1720 L1725 S1727 | K1719-S1723 PolarHBondContact O-N 3.38Å; K1719-S1723 PolarHBondContact O-OG 3.08Å; S1720-S1723 PolarHBondContact O-N 2.74Å; S1720-S1723 PolarHBondContact O-OG 3.01Å; S1723-L1725 VanDerWaalsContact C-N 3.35Å; S1723-S1727 WeakPolarHBondContact O-CB 3.42Å; S1723-S1727 PolarHBondContact O-N 2.94Å; S1723-S1727 VanDerWaalsContact O-N 3.07Å; S1723-S1727 PolarHBondContact O-OG 2.95Å |
| 1724 | M | 37.7 | Very low | 39.6 | Very low | 85 Ų | 85 | 91.8 Ų | 91.8 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -30.7 | 170.4 | -71.1 | 179.4 | 71.8 | 0 | 0 | 112.8 | S1720 S1722 F1757 | S1720-M1724 WeakPolarHBondContact O-CB 3.31Å; S1720-M1724 VanDerWaalsContact O-CG 3.3Å; S1720-M1724 WeakPolarHBondContact O-CG 3.44Å; S1720-M1724 PolarHBondContact O-N 3.05Å; S1722-M1724 VanDerWaalsContact C-N 3.28Å; S1722-M1724 PolarHBondContact O-N 2.98Å; M1724-F1757 HydrophobicContact CE-CD2 3.71Å; M1724-F1757 HydrophobicContact CE-CE2 3.37Å; M1724-F1757 HydrophobicContact CE-CZ 3.95Å |
| 1725 | L | 40 | Very low | 38.9 | Very low | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.6 | -44.9 | 173.4 | -73.1 | 165.6 | 0 | 0 | 0 | 112 | A1721 S1722 S1723 S1727 A1728 D1729 | A1721-L1725 WeakPolarHBondContact O-CG 3.44Å; A1721-L1725 PolarHBondContact O-N 3.38Å; S1722-L1725 WeakPolarHBondContact O-CB 3.36Å; S1722-L1725 PolarHBondContact O-N 3.44Å; S1723-L1725 VanDerWaalsContact C-N 3.35Å; L1725-S1727 PolarHBondContact O-N 2.7Å; L1725-A1728 WeakPolarHBondContact O-CB 3.37Å; L1725-A1728 PolarHBondContact O-N 3.2Å; L1725-D1729 PolarHBondContact O-N 3.28Å |
| 1726 | D | 38.5 | Very low | 38 | Very low | 105 Ų | 105 | 99.8 Ų | 99.8 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.8 | -28.9 | 174.8 | -67.1 | -50.3 | 0 | 0 | 0 | 111.8 | S1722 A1730 | S1722-D1726 PolarHBondContact O-N 2.67Å; D1726-A1730 PolarHBondContact O-N 3.38Å |
| 1727 | S | 36.9 | Very low | 37.3 | Very low | 72 Ų | 72 | 103.9 Ų | 103.9 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.1 | -22.1 | 173.7 | -60.2 | 0 | 0 | 0 | 0 | 114.2 | S1723 L1725 | S1723-S1727 WeakPolarHBondContact O-CB 3.42Å; S1723-S1727 PolarHBondContact O-N 2.94Å; S1723-S1727 VanDerWaalsContact O-N 3.07Å; S1723-S1727 PolarHBondContact O-OG 2.95Å; L1725-S1727 PolarHBondContact O-N 2.7Å |
| 1728 | A | 36.6 | Very low | 36.5 | Very low | 47 Ų | 47 | 104.1 Ų | 104.1 | 39% | 0.388 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -81.2 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1725 A1730 L1731 | L1725-A1728 WeakPolarHBondContact O-CB 3.37Å; L1725-A1728 PolarHBondContact O-N 3.2Å; A1728-A1730 PolarHBondContact O-N 3.07Å; A1728-L1731 PolarHBondContact O-N 3.05Å |
| 1729 | D | 36.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 105.8 Ų | 105.8 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68 | -22.9 | 175 | -80.7 | -16.8 | 0 | 0 | 0 | 112.6 | L1725 L1731 N1733 | L1725-D1729 PolarHBondContact O-N 3.28Å; D1729-L1731 VanDerWaalsContact C-N 3.29Å; D1729-L1731 PolarHBondContact O-N 3.34Å; D1729-N1733 PolarHBondContact O-ND2 2.93Å |
| 1730 | A | 36.8 | Very low | 35.2 | Very low | 73 Ų | 73 | 104.7 Ų | 104.7 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -25.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1726 A1728 | D1726-A1730 PolarHBondContact O-N 3.38Å; A1728-A1730 PolarHBondContact O-N 3.07Å |
| 1731 | L | 33.8 | Very low | 34.6 | Very low | 138 Ų | 138 | 108.3 Ų | 108.3 | 72% | 0.723 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -15.3 | -176.9 | -85.4 | 159.4 | 0 | 0 | 0 | 114.3 | A1728 D1729 | A1728-L1731 PolarHBondContact O-N 3.05Å; D1729-L1731 VanDerWaalsContact C-N 3.29Å; D1729-L1731 PolarHBondContact O-N 3.34Å |
| 1732 | N | 34.8 | Very low | 33.9 | Very low | 134 Ų | 134 | 112.7 Ų | 112.7 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -95.7 | 9 | -176.9 | -75 | -47 | 0 | 0 | 0 | 114.6 | ||
| 1733 | N | 32.3 | Very low | 33.5 | Very low | 145 Ų | 145 | 116.7 Ų | 116.7 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -100.3 | 16 | -176.9 | -85.2 | -78.7 | 0 | 0 | 0 | 114.4 | D1729 | D1729-N1733 PolarHBondContact O-ND2 2.93Š|
| 1734 | S | 27.9 | Very low | 32.9 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | trans | -142.9 | 55.2 | -171.5 | 66.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1735 | T | 30.4 | Very low | 32.6 | Very low | 148 Ų | 148 | 122 Ų | 122 | 91% | 0.908 | 69% | 0.693 | S | S | * | * | trans | -153.7 | 103.8 | 148 | 43.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1736 | N | 28.9 | Very low | 31.9 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | trans | -145.5 | 100.5 | 164.7 | -164.9 | 19 | 0 | 0 | 0 | 107.1 | ||||
| 1737 | I | 32.5 | Very low | 31.5 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | trans | 176.6 | 126.7 | 167.1 | -95.3 | 149.6 | 0 | 0 | 0 | 106.4 | ||||
| 1738 | D | 28.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -84.4 | 167.9 | 172.7 | -59.3 | -76.5 | 0 | 0 | 0 | 112.2 | ||||
| 1739 | N | 30.5 | Very low | 30.8 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 94.9 | 147.7 | 159.4 | -46.6 | -76.8 | 0 | 0 | 0 | 119.5 | ||||
| 1740 | V | 31.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | 77.5 | 88.6 | 161.7 | -163.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1741 | D | 29.3 | Very low | 30.2 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | 50.3 | 122.7 | 118.2 | -59.3 | -28.8 | 0 | 0 | 0 | 123.1 | |||||
| 1742 | I | 28.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | 80.7 | 125 | 125.8 | -64.5 | 172.3 | 0 | 0 | 0 | 120.1 | |||||
| 1743 | D | 29.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 68.1 | 129.6 | 155 | -66.4 | -9.9 | 0 | 0 | 0 | 124.6 | ||||
| 1744 | N | 28.7 | Very low | 29.8 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 81.6 | 152 | 150.2 | -92.5 | -8.7 | 0 | 0 | 0 | 121.9 | ||||
| 1745 | P | 30.6 | Very low | 30 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | trans | -110.4 | -159.9 | -162.3 | 45.1 | -37.4 | 0 | 0 | 0 | 114.1 | ||||
| 1746 | D | 27 | Very low | 30.2 | Very low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | trans | 73.6 | 95.3 | 165 | -62.2 | -26.2 | 0 | 0 | 0 | 118.3 | ||||
| 1747 | N | 30.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | 177.3 | 88.5 | 129.1 | -91.9 | -59.1 | 0 | 0 | 0 | 108.2 | |||||
| 1748 | Q | 27.7 | Very low | 30.1 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | 49.2 | 85.3 | 86.7 | -65.5 | -161.8 | 13.7 | 0 | 0 | 115.8 | |||||
| 1749 | V | 29.2 | Very low | 30.2 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -142.3 | 130.6 | 138.4 | -178.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1750 | N | 32.1 | Very low | 30.3 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | trans | -2.8 | 122.5 | 168.1 | -49.7 | -6.1 | 0 | 0 | 0 | 116.8 | ||||
| 1751 | I | 29.3 | Very low | 30.2 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 86% | 0.862 | 72% | 0.718 | S | S | * | * | cis | 59.1 | 70.2 | 35.3 | -39.9 | -179.5 | 0 | 0 | 0 | 113.3 | ||||
| 1752 | E | 28.2 | Very low | 30.2 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | trans | -152.3 | -40.7 | 163.9 | -125.4 | 162.4 | -164.6 | 0 | 0 | 113.5 | K1754 S1755 | E1752-K1754 VanDerWaalsContact C-N 3.3Å; E1752-K1754 PolarHBondContact O-N 3.2Å; E1752-K1754 VanDerWaalsContact O-N 3.09Å; E1752-S1755 WeakPolarHBondContact O-CB 3.42Å; E1752-S1755 PolarHBondContact O-N 3.43Å; E1752-S1755 VanDerWaalsContact O-N 3.09Å; E1752-S1755 PolarHBondContact O-OG 3.3Å | ||
| 1753 | N | 31.3 | Very low | 30.2 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -7 | -169.2 | -70.8 | -11.3 | 0 | 0 | 0 | 117.3 | S1755 | N1753-S1755 VanDerWaalsContact C-N 3.3Š|
| 1754 | K | 33 | Very low | 30.1 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -77 | -14.2 | 169.2 | -82.9 | -170.2 | 173.8 | -176.6 | 0 | 113.5 | E1752 | E1752-K1754 VanDerWaalsContact C-N 3.3Å; E1752-K1754 PolarHBondContact O-N 3.2Å; E1752-K1754 VanDerWaalsContact O-N 3.09Å |
| 1755 | S | 32.1 | Very low | 30.3 | Very low | 72 Ų | 72 | 136 Ų | 136 | 50% | 0.503 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -81.8 | -28.6 | -176 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | E1752 N1753 | E1752-S1755 WeakPolarHBondContact O-CB 3.42Å; E1752-S1755 PolarHBondContact O-N 3.43Å; E1752-S1755 VanDerWaalsContact O-N 3.09Å; E1752-S1755 PolarHBondContact O-OG 3.3Å; N1753-S1755 VanDerWaalsContact C-N 3.3Å |
| 1756 | Q | 33.7 | Very low | 30.3 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -78.4 | -40.2 | 179.8 | -67.8 | -171.5 | -2.2 | 0 | 0 | 112.2 | Q1758 K1759 A1760 | Q1756-Q1758 PolarHBondContact O-N 3.35Å; Q1756-K1759 PolarHBondContact O-N 2.95Å; Q1756-A1760 PolarHBondContact O-N 3.48Å |
| 1757 | F | 28.9 | Very low | 30.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 53% | 0.531 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -60.2 | -29.7 | -179.2 | -148 | -89.1 | 0 | 0 | 0 | 112.8 | M1724 M1761 | M1724-F1757 HydrophobicContact CE-CD2 3.71Å; M1724-F1757 HydrophobicContact CE-CE2 3.37Å; M1724-F1757 HydrophobicContact CE-CZ 3.95Å; F1757-M1761 HydrophobicContact CD1-CE 3.63Å; F1757-M1761 HydrophobicContact CE1-CE 3.57Å |
| 1758 | Q | 31.7 | Very low | 30.5 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -3.9 | 178.8 | -155.1 | 157 | 8.1 | 0 | 0 | 113.9 | Q1756 N1762 | Q1756-Q1758 PolarHBondContact O-N 3.35Å; Q1758-N1762 PolarHBondContact O-ND2 3.45Å |
| 1759 | K | 30.3 | Very low | 30.5 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -26.2 | 169.2 | -92.2 | -176.2 | 171.4 | -179.2 | 0 | 113.4 | Q1756 M1761 | Q1756-K1759 PolarHBondContact O-N 2.95Å; K1759-M1761 VanDerWaalsContact C-N 3.33Å |
| 1760 | A | 31.7 | Very low | 30.5 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -76.8 | -17.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1756 | Q1756-A1760 PolarHBondContact O-N 3.48Š|
| 1761 | M | 30.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 140 Ų | 140 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -107.5 | 4.9 | -177.5 | -78.9 | -172.2 | -88.8 | 0 | 0 | 114.9 | F1757 K1759 | F1757-M1761 HydrophobicContact CD1-CE 3.63Å; F1757-M1761 HydrophobicContact CE1-CE 3.57Å; K1759-M1761 VanDerWaalsContact C-N 3.33Å |
| 1762 | N | 28.6 | Very low | 30.1 | Very low | 100 Ų | 100 | 136 Ų | 136 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | trans | -120.3 | 76.8 | 177.5 | -76.7 | -55.5 | 0 | 0 | 0 | 111.7 | Q1758 | Q1758-N1762 PolarHBondContact O-ND2 3.45Š| ||
| 1763 | L | 29.1 | Very low | 29.9 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 97% | 0.969 | 73% | 0.729 | S | S | * | * | trans | -112.8 | 66.3 | 156.9 | -88.9 | 170.1 | 0 | 0 | 0 | 108.6 | ||||
| 1764 | S | 28.5 | Very low | 29.7 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -147.4 | 70.4 | 178.1 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1765 | D | 31.3 | Very low | 29.4 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -144.5 | 134 | 174.2 | -111 | -30.5 | 0 | 0 | 0 | 105.5 | ||||
| 1766 | T | 31.1 | Very low | 29.3 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -141.5 | 163.7 | 9.8 | 46.5 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1767 | S | 31.4 | Very low | 28.9 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | cis | -157.7 | 164.4 | -5.8 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1768 | G | 30.5 | Very low | 28.9 | Very low | 56 Ų | 56 | 138.7 Ų | 138.7 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | cis | 168.7 | 139.8 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1769 | Y | 27.4 | Very low | 28.6 | Very low | 227 Ų | 227 | 137.9 Ų | 137.9 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | 66.9 | 151 | 160.9 | -61.7 | -81.8 | 0 | 0 | 0 | 118.5 | ||||
| 1770 | K | 28.5 | Very low | 28.4 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | cis | -149.4 | 139.8 | 22.7 | -161.4 | 174.2 | -176.9 | 178.7 | 0 | 113.7 | ||||
| 1771 | M | 24 | Very low | 28.2 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 89% | 0.892 | 75% | 0.749 | S | S | * | * | trans | -92.9 | 148.6 | 163 | -78.2 | 173.6 | 60.6 | 0 | 0 | 111.7 | ||||
| 1772 | A | 29.3 | Very low | 28.1 | Very low | 83 Ų | 83 | 136 Ų | 136 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | -165.8 | 107.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1773 | E | 25.7 | Very low | 28.1 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 99.4 | 157.1 | 70.7 | -92.5 | -167.4 | 152.9 | 0 | 0 | 111.8 | |||||
| 1774 | M | 26.9 | Very low | 28 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 74 | 96.8 | 172.3 | -52 | -166.2 | 178.9 | 0 | 0 | 117.9 | ||||
| 1775 | N | 26.2 | Very low | 27.9 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | 22.4 | 126.4 | 120.4 | -47.7 | -8 | 0 | 0 | 0 | 117.1 | |||||
| 1776 | D | 29.9 | Very low | 27.6 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | -166.9 | 164.9 | 89.7 | -119.8 | -40.3 | 0 | 0 | 0 | 115.9 | |||||
| 1777 | N | 26 | Very low | 27.4 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | -61.7 | 177.2 | -171.3 | -71.4 | -86.7 | 0 | 0 | 0 | 118.6 | ||||
| 1778 | S | 27.8 | Very low | 27.2 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 77.7 | 126 | 171.6 | 71.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1779 | T | 26.1 | Very low | 27.1 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | cis | 99.7 | 138.6 | 28.8 | 66.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1780 | I | 26.3 | Very low | 27.1 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 59% | 0.585 | 74% | 0.742 | S | S | * | * | trans | 86.9 | 101.7 | 150.8 | -73.7 | 157.3 | 0 | 0 | 0 | 120.8 | V1810 | I1780-V1810 HydrophobicContact CD1-CG2 3.62Š| ||
| 1781 | T | 27.2 | Very low | 27.1 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | trans | 71.3 | 125.9 | 133.6 | 65.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1782 | N | 27.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | 71.3 | 157.5 | 123.2 | -60.8 | -6 | 0 | 0 | 0 | 124.5 | |||||
| 1783 | H | 30 | Very low | 27.3 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 73.5 | 120.8 | 174.3 | -59 | -88.6 | 0 | 0 | 0 | 115.6 | ||||
| 1784 | K | 26.9 | Very low | 27.4 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | 81.6 | 139.1 | 52.4 | -83 | -168.4 | 171.2 | -178.8 | 0 | 113.9 | |||||
| 1785 | T | 25.6 | Very low | 27.4 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 65.4 | 155.5 | 157.3 | 38.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1786 | V | 26.1 | Very low | 27.2 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | cis | -163.5 | 156 | -31.1 | 94.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1787 | N | 26.6 | Very low | 27 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 66% | 0.658 | 72% | 0.716 | S | S | * | * | trans | 58 | 130.4 | 163.1 | -64.3 | -5.3 | 0 | 0 | 0 | 122.4 | ||||
| 1788 | I | 25.7 | Very low | 27.1 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | 69 | 140.9 | 90.7 | -42.3 | 160 | 0 | 0 | 0 | 115.2 | |||||
| 1789 | I | 28.5 | Very low | 27.2 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | 116.4 | 95.4 | 154.6 | -58.5 | -174 | 0 | 0 | 0 | 117.1 | ||||
| 1790 | N | 28.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | 57.4 | 137.2 | 127.7 | -62.1 | -5.8 | 0 | 0 | 0 | 125.2 | |||||
| 1791 | R | 29 | Very low | 27.8 | Very low | 210 Ų | 210 | 138.6 Ų | 138.6 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | 74.8 | 162.2 | 129.1 | -76.2 | 178 | 152.2 | 174.3 | 0.9 | 119.4 | |||||
| 1792 | D | 27.4 | Very low | 28.1 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | cis | -149.2 | -155.2 | -7.8 | -117.6 | -25.3 | 0 | 0 | 0 | 109.3 | ||||
| 1793 | G | 29.4 | Very low | 28.3 | Very low | 58 Ų | 58 | 141.7 Ų | 141.7 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | trans | -55.3 | 162 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1794 | Y | 26.7 | Very low | 28.4 | Very low | 228 Ų | 228 | 140.5 Ų | 140.5 | 89% | 0.894 | 72% | 0.717 | S | S | * | * | S | Bend | 49.5 | 114.8 | 75.9 | -108.4 | -79.5 | 0 | 0 | 0 | 113.2 | |||
| 1795 | I | 26.7 | Very low | 28.8 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | 69.7 | 113.4 | -178 | -52.4 | 174.8 | 0 | 0 | 0 | 111.6 | ||||
| 1796 | D | 23.4 | Very low | 29.1 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | cis | -156.1 | 164.5 | 9.2 | -151.5 | 2.5 | 0 | 0 | 0 | 114.1 | ||||
| 1797 | N | 25.5 | Very low | 29.4 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | trans | 51.2 | 108.3 | 149.4 | -89.4 | -57.4 | 0 | 0 | 0 | 121.4 | ||||
| 1798 | N | 28 | Very low | 29.7 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | 76 | 121.6 | 122.7 | -87.6 | -40.9 | 0 | 0 | 0 | 123 | |||||
| 1799 | N | 30.5 | Very low | 30 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 66% | 0.658 | 71% | 0.713 | S | S | * | * | 87.8 | 126.9 | 125.5 | -84.1 | -43.4 | 0 | 0 | 0 | 123.7 | |||||
| 1800 | N | 31.8 | Very low | 30.1 | Very low | 105 Ų | 105 | 137 Ų | 137 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | trans | 78.6 | 102.7 | 135.7 | -74.6 | -54 | 0 | 0 | 0 | 121.9 | ||||
| 1801 | K | 31.6 | Very low | 30.2 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 79% | 0.787 | 70% | 0.7 | S | S | * | * | 77.5 | 139.7 | 119 | -69.3 | 167.7 | 179.2 | 139.4 | 0 | 120.8 | |||||
| 1802 | A | 33.6 | Very low | 30.2 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | 74.1 | 148.9 | 144 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1803 | R | 32.3 | Very low | 30.4 | Very low | 214 Ų | 214 | 135.7 Ų | 135.7 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | cis | -161.3 | 165.8 | -9.2 | -118.7 | 173.3 | 177.3 | 158.2 | -1.9 | 109.6 | ||||
| 1804 | D | 33.3 | Very low | 30.3 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | 31.8 | 132 | 146.9 | -46.4 | -37.2 | 0 | 0 | 0 | 120.4 | ||||
| 1805 | G | 34.2 | Very low | 30.3 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | cis | 135 | 166.5 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1806 | K | 32.8 | Very low | 30.7 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | trans | 70.2 | 159.1 | 163.5 | -67.6 | 173.5 | 179.5 | 169 | 0 | 116.1 | ||||
| 1807 | M | 31.3 | Very low | 31.1 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | cis | -166.3 | 142.6 | -0.6 | -123.4 | 169.6 | 175 | 0 | 0 | 111.6 | ||||
| 1808 | K | 32.7 | Very low | 31.6 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 74% | 0.739 | 68% | 0.683 | S | S | * | * | trans | 55.4 | -179.6 | 138.9 | -68.9 | -178.2 | 179.5 | -169 | 0 | 117.6 | ||||
| 1809 | N | 31.9 | Very low | 31.9 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | cis | -155.1 | -179.5 | -23.6 | -118.1 | 35.5 | 0 | 0 | 0 | 107.8 | ||||
| 1810 | V | 31.5 | Very low | 32 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 44% | 0.436 | 69% | 0.691 | S | S | . | * | -163.6 | 155.3 | -68 | 79.2 | 0 | 0 | 0 | 0 | 110.7 | I1780 | I1780-V1810 HydrophobicContact CD1-CG2 3.62Š| |||
| 1811 | T | 30.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 136 Ų | 136 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | trans | 64.7 | 146.4 | 163.7 | 57.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1812 | H | 29.8 | Very low | 32.3 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 63% | 0.625 | 70% | 0.701 | S | S | * | * | trans | 90.5 | 124.9 | 136 | -91.5 | -61 | 0 | 0 | 0 | 123.4 | ||||
| 1813 | Y | 30.6 | Very low | 32.5 | Very low | 194 Ų | 194 | 135 Ų | 135 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | 64.3 | 158.5 | 149.8 | -64.3 | -48.6 | 0 | 0 | 0 | 118.7 | ||||
| 1814 | K | 28.1 | Very low | 32.6 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 61% | 0.613 | 71% | 0.707 | S | S | * | * | cis | -170.1 | 147.9 | -33.6 | -164.1 | -178.8 | 173.9 | -128.1 | 0 | 107.6 | ||||
| 1815 | E | 26.7 | Very low | 32.8 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 62% | 0.617 | 71% | 0.713 | S | S | * | * | trans | 66.9 | 158.8 | 156.1 | -91.3 | 153.6 | -176.4 | 0 | 0 | 121.3 | ||||
| 1816 | H | 34 | Very low | 32.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 67% | 0.667 | 72% | 0.717 | S | S | * | * | trans | 70.6 | 101.3 | 161.2 | -67.5 | -61 | 0 | 0 | 0 | 122.5 | ||||
| 1817 | D | 33.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | 87.7 | 150.9 | 111.3 | -62.5 | 2.8 | 0 | 0 | 0 | 124 | |||||
| 1818 | D | 35.8 | Very low | 33.1 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 67.5 | 94 | 152.3 | -63.7 | -0.6 | 0 | 0 | 0 | 122 | ||||
| 1819 | D | 34.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | 72.7 | 145.8 | 107.8 | -90.5 | 14.7 | 0 | 0 | 0 | 124.6 | |||||
| 1820 | N | 33.3 | Very low | 33.1 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 84 | 123.6 | 149 | -70.9 | -45.7 | 0 | 0 | 0 | 123.4 | ||||
| 1821 | A | 35.8 | Very low | 33.1 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | trans | 82 | 107.5 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1822 | D | 33.6 | Very low | 33 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | 54 | 127 | 115.8 | -51.1 | -16.5 | 0 | 0 | 0 | 121.1 | |||||
| 1823 | G | 36.3 | Very low | 33 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 169.5 | 81.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1824 | D | 34.9 | Very low | 33 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -66.6 | 141.5 | 161.6 | -89.4 | -43.3 | 0 | 0 | 0 | 109.3 | ||||
| 1825 | D | 38.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | -156.2 | 153.3 | 141.5 | -114.2 | -32.8 | 0 | 0 | 0 | 110.9 | ||||
| 1826 | N | 32.5 | Very low | 33.2 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -99 | 146 | 179.2 | -62.5 | -95.6 | 0 | 0 | 0 | 109.8 | ||||
| 1827 | D | 36.8 | Very low | 33 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 92% | 0.92 | 75% | 0.75 | S | S | * | * | trans | -157.1 | 160.5 | 151.6 | -119.5 | -26.2 | 0 | 0 | 0 | 111.6 | ||||
| 1828 | D | 35 | Very low | 32.9 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -141.5 | 164.1 | -146.8 | -163.7 | 10.4 | 0 | 0 | 0 | 114.6 | ||||
| 1829 | I | 31.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 65% | 0.646 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 158 | 164.6 | -24.2 | 178.3 | 0 | 0 | 0 | 118.4 | ||||
| 1830 | H | 32.7 | Very low | 32.4 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | 72.1 | 139.3 | 168.6 | -71.7 | -89.7 | 0 | 0 | 0 | 117.7 | ||||
| 1831 | E | 31.4 | Very low | 32.2 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | cis | -149.9 | 173.7 | -0.6 | -156.5 | 154.5 | -109.9 | 0 | 0 | 112.2 | ||||
| 1832 | T | 28.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -127.3 | 127.4 | -175.2 | 54.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1833 | F | 29.1 | Very low | 31.6 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -159.8 | 150.7 | 164.2 | -114.8 | -92.6 | 0 | 0 | 0 | 108.6 | ||||
| 1834 | I | 31.1 | Very low | 31.4 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 56% | 0.564 | 75% | 0.745 | S | S | * | * | cis | -177.3 | 134.7 | -44.9 | -107.4 | 168.7 | 0 | 0 | 0 | 105.3 | ||||
| 1835 | Q | 30.1 | Very low | 31.2 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 66% | 0.659 | 74% | 0.738 | S | S | * | * | trans | 57.6 | 116.5 | 158.5 | -71.3 | 174.4 | -90 | 0 | 0 | 123.3 | ||||
| 1836 | E | 29.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | 97.1 | 130.8 | 116 | -77.9 | -177.8 | -143.5 | 0 | 0 | 124.8 | |||||
| 1837 | N | 30 | Very low | 30.7 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | 57.9 | 101.3 | 134.7 | -64.9 | -35.2 | 0 | 0 | 0 | 120.9 | ||||
| 1838 | K | 30.8 | Very low | 30.3 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 61% | 0.613 | 72% | 0.716 | S | S | * | * | -164.9 | 143.2 | 93.5 | -103.4 | -176.4 | -177.3 | -174.6 | 0 | 114 | P1422 T1423 | P1422-K1838 HydrophobicContact CB-CD 3.89Å; P1422-K1838 HydrophobicContact CG-CD 4.21Å; T1423-K1838 PolarHBondContact OG1-NZ 3.47Å | |||
| 1839 | T | 30.1 | Very low | 30 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | -67.9 | 160.2 | 170.4 | 28.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 1840 | L | 28.4 | Very low | 29.9 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 62% | 0.618 | 72% | 0.719 | S | S | * | * | trans | 158 | 170.3 | 156 | -55.9 | 158.4 | 0 | 0 | 0 | 113.8 | Y1421 | Y1421-L1840 HydrophobicContact CD1-CB 4.49Å; Y1421-L1840 HydrophobicContact CE1-CB 3.7Å | ||
| 1841 | E | 28.5 | Very low | 29.7 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 52% | 0.519 | 72% | 0.72 | S | S | . | * | trans | -72.4 | -171.8 | 173 | -50.8 | 97.2 | 162.3 | 0 | 0 | 112.8 | Y1421 | Y1421-E1841 WeakPolarHBondContact CE2-O 3.41Å; Y1421-E1841 WeakPolarHBondContact OH-CA 3.39Å; Y1421-E1841 WeakPolarHBondContact OH-CB 3.38Å; Y1421-E1841 PolarHBondContact OH-N 3Å; Y1421-E1841 PolarHBondContact OH-O 3.27Å; Y1421-E1841 PolarHBondContact OH-OE2 3.02Å | ||
| 1842 | T | 29.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | cis | -143.5 | 113.2 | -1.6 | -30.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1843 | I | 29 | Very low | 29.6 | Very low | 237 Ų | 237 | 142.2 Ų | 142.2 | 100% | 1.215 | 72% | 0.715 | S | S | * | * | -142.5 | 0 | 129.2 | -64.1 | -168.3 | 0 | 0 | 0 | 104.9 |
Retrieved 1,843 of 1,843 residues in 1687.1 ms
(Link to these results)