| 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 | 47.6 | Very low | 54.6 | Low | 250 Ų | 250 | 151.9 Ų | 151.9 | 100% | 1.232 | 79% | 0.791 | S | S | * | * | 0 | 112.3 | 0 | -68.6 | 172.6 | -82.9 | 0 | 0 | 108 | |||||
| 2 | G | 54.1 | Low | 55.5 | Low | 57 Ų | 57 | 145.9 Ų | 145.9 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | trans | -152.3 | -26.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | A4 | G2-A4 PolarHBondContact O-N 3.48Å; G2-A4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | A | 55.9 | Low | 57.6 | Low | 88 Ų | 88 | 139.1 Ų | 139.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -11.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 4 | A | 56.4 | Low | 59.4 | Low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -30.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G2 | G2-A4 PolarHBondContact O-N 3.48Å; G2-A4 VanDerWaalsContact O-N 3.1Å |
| 5 | I | 56.9 | Low | 61.2 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -79.3 | -25.5 | -166.8 | -60.1 | 175.4 | 0 | 0 | 0 | 112.2 | R7 W8 | I5-R7 VanDerWaalsContact C-N 3.29Å; I5-R7 PolarHBondContact O-N 3.23Å; I5-W8 PolarHBondContact O-N 2.83Å |
| 6 | S | 55.2 | Low | 62.9 | Low | 91 Ų | 91 | 126.9 Ų | 126.9 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -68.3 | -25.5 | 178.8 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | W8 | S6-W8 VanDerWaalsContact C-N 3.25Å; S6-W8 PolarHBondContact O-N 3.19Å |
| 7 | R | 54 | Low | 64.4 | Low | 221 Ų | 221 | 122.1 Ų | 122.1 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -74.7 | -6.8 | -178.4 | -73.3 | -172.1 | 169.2 | -162.9 | -3.5 | 114.9 | I5 | I5-R7 VanDerWaalsContact C-N 3.29Å; I5-R7 PolarHBondContact O-N 3.23Å |
| 8 | W | 53.7 | Low | 65.9 | Low | 238 Ų | 238 | 115.3 Ų | 115.3 | 90% | 0.902 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -109.8 | 7.6 | 179.5 | -77.8 | -11.5 | 0 | 0 | 0 | 114.8 | I5 S6 A10 | I5-W8 PolarHBondContact O-N 2.83Å; S6-W8 VanDerWaalsContact C-N 3.25Å; S6-W8 PolarHBondContact O-N 3.19Å; W8-A10 PolarHBondContact O-N 3.37Å; W8-A10 VanDerWaalsContact O-N 3.08Å |
| 9 | R | 50.9 | Low | 67.2 | Low | 224 Ų | 224 | 114 Ų | 114 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | trans | -74.6 | 97.1 | 158.9 | -70.3 | -161.6 | -178.9 | -153 | 2.2 | 108.8 | ||||
| 10 | A | 58.5 | Low | 68.5 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 144.8 | 159 | 0 | 0 | 0 | 0 | 0 | 109.1 | W8 | W8-A10 PolarHBondContact O-N 3.37Å; W8-A10 VanDerWaalsContact O-N 3.08Å |
| 11 | K | 57.4 | Low | 69.7 | Low | 199 Ų | 199 | 111.4 Ų | 111.4 | 87% | 0.865 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.9 | 170.9 | -63.4 | -177.5 | 179.6 | -176.2 | 0 | 107.7 | ||
| 12 | P | 65.3 | Low | 71.8 | Confident | 80 Ų | 80 | 102 Ų | 102 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 146.6 | 172.8 | 27.7 | -34.6 | 0 | 0 | 0 | 108.8 | E16 | P12-E16 WeakPolarHBondContact CA-OE2 3.22Š|
| 13 | S | 82.5 | Confident | 73.8 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 156 | -178.9 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | V15 E16 T17 | S13-V15 PolarHBondContact O-N 2.88Å; S13-E16 PolarHBondContact N-OE2 3.41Å; S13-E16 PolarHBondContact O-N 2.9Å; S13-E16 WeakPolarHBondContact OG-CB 3.15Å; S13-E16 PolarHBondContact OG-N 3.07Å; S13-T17 WeakPolarHBondContact O-CB 3.49Å; S13-T17 PolarHBondContact O-N 3.4Å; S13-T17 PolarHBondContact O-OG1 3.43Å |
| 14 | T | 83.1 | Confident | 75.6 | Confident | 49 Ų | 49 | 103.9 Ų | 103.9 | 30% | 0.301 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -53.1 | -44.3 | 171.1 | 44 | 0 | 0 | 0 | 0 | 110.1 | T17 L18 V123 E127 | T14-T17 PolarHBondContact O-N 2.99Å; T14-L18 WeakPolarHBondContact O-CB 3.15Å; T14-L18 VanDerWaalsContact O-CG 3.3Å; T14-L18 WeakPolarHBondContact O-CG 3.4Å; T14-L18 PolarHBondContact O-N 2.76Å; T14-V123 HydrophobicContact CG2-CG2 4.01Å; T14-E127 PolarHBondContact OG1-OE1 2.98Å |
| 15 | V | 87.1 | Confident | 77.4 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 113.3 | S13 T17 L18 E19 I135 F139 | S13-V15 PolarHBondContact O-N 2.88Å; V15-T17 VanDerWaalsContact C-N 3.3Å; V15-T17 PolarHBondContact O-N 3.16Å; V15-L18 PolarHBondContact O-N 2.85Å; V15-E19 WeakPolarHBondContact O-CB 3.2Å; V15-E19 PolarHBondContact O-N 3.39Å; V15-I135 HydrophobicContact CG2-CD1 3.99Å; V15-I135 HydrophobicContact CG2-CG1 3.94Å; V15-F139 HydrophobicContact CB-CE2 4.49Å; V15-F139 HydrophobicContact CG1-CE2 4.04Å; V15-F139 HydrophobicContact CG1-CZ 4.12Å |
| 16 | E | 88 | Confident | 79.1 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 179.9 | 179.3 | -175.5 | -173.4 | 0 | 0 | 111.8 | P12 S13 E19 R20 | P12-E16 WeakPolarHBondContact CA-OE2 3.22Å; S13-E16 PolarHBondContact N-OE2 3.41Å; S13-E16 PolarHBondContact O-N 2.9Å; S13-E16 WeakPolarHBondContact OG-CB 3.15Å; S13-E16 PolarHBondContact OG-N 3.07Å; E16-E19 PolarHBondContact O-N 3.03Å; E16-R20 WeakPolarHBondContact O-CB 3.37Å; E16-R20 PolarHBondContact O-N 3.22Å |
| 17 | T | 88.9 | Confident | 80.9 | Confident | 44 Ų | 44 | 99.4 Ų | 99.4 | 27% | 0.27 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 176.4 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | S13 T14 V15 R20 L21 I119 | S13-T17 WeakPolarHBondContact O-CB 3.49Å; S13-T17 PolarHBondContact O-N 3.4Å; S13-T17 PolarHBondContact O-OG1 3.43Å; T14-T17 PolarHBondContact O-N 2.99Å; V15-T17 VanDerWaalsContact C-N 3.3Å; V15-T17 PolarHBondContact O-N 3.16Å; T17-R20 WeakPolarHBondContact O-CB 3.38Å; T17-R20 PolarHBondContact O-N 3Å; T17-L21 WeakPolarHBondContact O-CG 3.43Å; T17-L21 PolarHBondContact O-N 2.86Å; T17-I119 HydrophobicContact CG2-CD1 3.89Å |
| 18 | L | 91.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 174.1 | -73.6 | 168.8 | 0 | 0 | 0 | 112.5 | T14 V15 R20 L21 E22 K116 I119 L120 I135 F139 | T14-L18 WeakPolarHBondContact O-CB 3.15Å; T14-L18 VanDerWaalsContact O-CG 3.3Å; T14-L18 WeakPolarHBondContact O-CG 3.4Å; T14-L18 PolarHBondContact O-N 2.76Å; V15-L18 PolarHBondContact O-N 2.85Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-L21 PolarHBondContact O-N 2.9Å; L18-E22 WeakPolarHBondContact O-CB 3.29Å; L18-E22 PolarHBondContact O-N 3.33Å; L18-K116 HydrophobicContact CD2-CG 3.78Å; L18-I119 HydrophobicContact CD1-CG2 4.12Å; L18-I119 HydrophobicContact CD2-CB 3.99Å; L18-I119 HydrophobicContact CD2-CG2 3.8Å; L18-I119 HydrophobicContact CG-CG2 3.81Å; L18-L120 HydrophobicContact CD1-CD2 4.27Å; L18-L120 HydrophobicContact CD2-CG 4.21Å; L18-I135 HydrophobicContact CD1-CG2 3.48Å; L18-I135 VanDerWaalsContact CD1-CG2 3.48Å; L18-F139 HydrophobicContact CB-CD1 3.83Å; L18-F139 HydrophobicContact CB-CD2 4.03Å; L18-F139 HydrophobicContact CB-CE1 3.84Å; L18-F139 HydrophobicContact CB-CE2 4.03Å; L18-F139 HydrophobicContact CB-CG 3.92Å; L18-F139 HydrophobicContact CB-CZ 3.92Å; L18-F139 HydrophobicContact CD1-CB 4.36Å; L18-F139 HydrophobicContact CD1-CD2 3.82Å; L18-F139 HydrophobicContact CD1-CE2 4.28Å; L18-F139 HydrophobicContact CD1-CG 4.12Å |
| 19 | E | 90.7 | Very high | 84.5 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 43% | 0.425 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.2 | -165.4 | -171.8 | 151.7 | 0 | 0 | 111.7 | V15 E16 K23 F139 | V15-E19 WeakPolarHBondContact O-CB 3.2Å; V15-E19 PolarHBondContact O-N 3.39Å; E16-E19 PolarHBondContact O-N 3.03Å; E19-K23 VanDerWaalsContact O-CG 3.32Å; E19-K23 WeakPolarHBondContact O-CG 3.45Å; E19-K23 PolarHBondContact O-N 2.86Å; E19-K23 VanDerWaalsContact O-N 3.07Å; E19-K23 WeakPolarHBondContact OE1-CE 3.41Å; E19-K23 IonicContact OE1-NZ 3.01Å; E19-K23 PolarHBondContact OE1-NZ 3.48Å; E19-F139 HydrophobicContact CB-CE1 4.16Å; E19-F139 HydrophobicContact CB-CZ 4.19Å |
| 20 | R | 93.1 | Very high | 86.4 | Confident | 163 Ų | 163 | 76.5 Ų | 76.5 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.2 | -50.4 | 171.9 | -176.1 | -177.9 | -169 | 138.3 | 8.4 | 111.7 | E16 T17 L18 E22 K23 E24 | E16-R20 WeakPolarHBondContact O-CB 3.37Å; E16-R20 PolarHBondContact O-N 3.22Å; T17-R20 WeakPolarHBondContact O-CB 3.38Å; T17-R20 PolarHBondContact O-N 3Å; L18-R20 VanDerWaalsContact C-N 3.34Å; R20-E22 VanDerWaalsContact C-N 3.33Å; R20-E22 PolarHBondContact O-N 3.01Å; R20-K23 PolarHBondContact O-N 2.66Å; R20-E24 HydrophobicContact CG-CG 4.5Å; R20-E24 VanDerWaalsContact CG-OE1 3.27Å; R20-E24 WeakPolarHBondContact CG-OE1 3.33Å; R20-E24 IonicContact CZ-OE1 2.85Å; R20-E24 IonicContact NE-OE1 2.56Å; R20-E24 PolarHBondContact NE-OE1 3.13Å; R20-E24 IonicContact NH2-OE1 2.61Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 3.07Å |
| 21 | L | 93.6 | Very high | 87.8 | Confident | 10 Ų | 10 | 78.7 Ų | 78.7 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 177.8 | -71.4 | 173.4 | 0 | 0 | 0 | 111.6 | T17 L18 K23 E24 I25 L112 Q115 K116 I119 | T17-L21 WeakPolarHBondContact O-CG 3.43Å; T17-L21 PolarHBondContact O-N 2.86Å; L18-L21 PolarHBondContact O-N 2.9Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 3.29Å; L21-E24 PolarHBondContact O-N 2.95Å; L21-I25 VanDerWaalsContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CB 3.48Å; L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 WeakPolarHBondContact O-CG1 3.37Å; L21-I25 PolarHBondContact O-N 2.89Å; L21-L112 HydrophobicContact CD2-CD2 3.5Å; L21-L112 VanDerWaalsContact CD2-CD2 3.5Å; L21-Q115 HydrophobicContact CD1-CB 4.27Å; L21-K116 HydrophobicContact CD1-CB 4.23Å; L21-I119 HydrophobicContact CD1-CD1 3.7Å |
| 22 | E | 91.7 | Very high | 89.3 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.7 | -171.7 | 124.3 | -90.3 | 0 | 0 | 111.8 | L18 R20 Q26 K116 K144 | L18-E22 WeakPolarHBondContact O-CB 3.29Å; L18-E22 PolarHBondContact O-N 3.33Å; R20-E22 VanDerWaalsContact C-N 3.33Å; R20-E22 PolarHBondContact O-N 3.01Å; E22-Q26 VanDerWaalsContact O-CB 3.26Å; E22-Q26 WeakPolarHBondContact O-CB 3.3Å; E22-Q26 PolarHBondContact O-N 3.02Å; E22-K116 IonicContact OE1-NZ 2.74Å; E22-K116 PolarHBondContact OE1-NZ 3.42Å; E22-K116 IonicContact OE2-NZ 2.7Å; E22-K144 IonicContact OE2-NZ 3.75Å |
| 23 | K | 94.7 | Very high | 90.3 | Very high | 113 Ų | 113 | 72.5 Ų | 72.5 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 173.3 | -71.6 | 166.5 | -175.7 | 166.6 | 0 | 113.1 | E19 R20 L21 Q26 T27 | E19-K23 VanDerWaalsContact O-CG 3.32Å; E19-K23 WeakPolarHBondContact O-CG 3.45Å; E19-K23 PolarHBondContact O-N 2.86Å; E19-K23 VanDerWaalsContact O-N 3.07Å; E19-K23 WeakPolarHBondContact OE1-CE 3.41Å; E19-K23 IonicContact OE1-NZ 3.01Å; E19-K23 PolarHBondContact OE1-NZ 3.48Å; R20-K23 PolarHBondContact O-N 2.66Å; L21-K23 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 3.29Å; K23-Q26 PolarHBondContact O-N 2.89Å; K23-T27 WeakPolarHBondContact O-CB 3.39Å; K23-T27 WeakPolarHBondContact O-CG2 3.36Å; K23-T27 PolarHBondContact O-N 3.36Å; K23-T27 PolarHBondContact O-OG1 2.68Å |
| 24 | E | 94 | Very high | 90.5 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | 179.4 | -70.4 | 178.9 | -161.3 | 0 | 0 | 111.1 | R20 L21 T27 L28 L112 | R20-E24 HydrophobicContact CG-CG 4.5Å; R20-E24 VanDerWaalsContact CG-OE1 3.27Å; R20-E24 WeakPolarHBondContact CG-OE1 3.33Å; R20-E24 IonicContact CZ-OE1 2.85Å; R20-E24 IonicContact NE-OE1 2.56Å; R20-E24 PolarHBondContact NE-OE1 3.13Å; R20-E24 IonicContact NH2-OE1 2.61Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 3.07Å; L21-E24 PolarHBondContact O-N 2.95Å; E24-T27 PolarHBondContact O-OG1 2.79Å; E24-T27 VanDerWaalsContact O-OG1 3.06Å; E24-L28 WeakPolarHBondContact O-CB 3.36Å; E24-L28 WeakPolarHBondContact O-CG 3.25Å; E24-L28 PolarHBondContact O-N 3.3Å; E24-L28 VanDerWaalsContact O-N 3.13Å; E24-L112 HydrophobicContact CB-CD1 4.22Å |
| 25 | I | 94.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 75.3 Ų | 75.3 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.9 | -54.3 | 169.4 | -72.8 | 164.8 | 0 | 0 | 0 | 110.9 | L21 T27 L28 E29 L109 L112 K113 K116 | L21-I25 VanDerWaalsContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CB 3.48Å; L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 WeakPolarHBondContact O-CG1 3.37Å; L21-I25 PolarHBondContact O-N 2.89Å; I25-T27 VanDerWaalsContact C-N 3.34Å; I25-T27 PolarHBondContact O-N 2.92Å; I25-L28 PolarHBondContact O-N 2.93Å; I25-E29 PolarHBondContact O-N 3.19Å; I25-L109 HydrophobicContact CB-CD1 4.28Å; I25-L109 HydrophobicContact CG1-CD1 4.38Å; I25-L109 HydrophobicContact CG2-CD1 3.9Å; I25-L112 HydrophobicContact CD1-CB 4.3Å; I25-L112 HydrophobicContact CG1-CB 3.78Å; I25-K113 HydrophobicContact CD1-CG 3.86Å; I25-K113 HydrophobicContact CG1-CG 4.2Å; I25-K113 HydrophobicContact CG2-CG 4.44Å; I25-K116 HydrophobicContact CD1-CB 4.33Å; I25-K116 HydrophobicContact CD1-CD 4.06Å |
| 26 | Q | 93.6 | Very high | 90.4 | Very high | 126 Ų | 126 | 76.5 Ų | 76.5 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.8 | -39.4 | -174.5 | -171.5 | 172.3 | 13.8 | 0 | 0 | 111.8 | E22 K23 E29 D30 | E22-Q26 VanDerWaalsContact O-CB 3.26Å; E22-Q26 WeakPolarHBondContact O-CB 3.3Å; E22-Q26 PolarHBondContact O-N 3.02Å; K23-Q26 PolarHBondContact O-N 2.89Å; Q26-E29 PolarHBondContact O-N 3.42Å; Q26-D30 WeakPolarHBondContact O-CB 3.5Å; Q26-D30 PolarHBondContact O-N 2.88Å |
| 27 | T | 92.9 | Very high | 90.3 | Very high | 71 Ų | 71 | 76.7 Ų | 76.7 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 175.6 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | K23 E24 I25 D30 Y31 | K23-T27 WeakPolarHBondContact O-CB 3.39Å; K23-T27 WeakPolarHBondContact O-CG2 3.36Å; K23-T27 PolarHBondContact O-N 3.36Å; K23-T27 PolarHBondContact O-OG1 2.68Å; E24-T27 PolarHBondContact O-OG1 2.79Å; E24-T27 VanDerWaalsContact O-OG1 3.06Å; I25-T27 VanDerWaalsContact C-N 3.34Å; I25-T27 PolarHBondContact O-N 2.92Å; T27-D30 PolarHBondContact O-N 2.82Å; T27-Y31 WeakPolarHBondContact O-CB 3.35Å; T27-Y31 WeakPolarHBondContact O-CD2 3.11Å; T27-Y31 PolarHBondContact O-N 2.92Å |
| 28 | L | 92.1 | Very high | 90.2 | Very high | 38 Ų | 38 | 79.4 Ų | 79.4 | 20% | 0.199 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.4 | -84.4 | 163.4 | 0 | 0 | 0 | 112.8 | E24 I25 Y31 G32 N105 L109 L112 | E24-L28 WeakPolarHBondContact O-CB 3.36Å; E24-L28 WeakPolarHBondContact O-CG 3.25Å; E24-L28 PolarHBondContact O-N 3.3Å; E24-L28 VanDerWaalsContact O-N 3.13Å; I25-L28 PolarHBondContact O-N 2.93Å; L28-Y31 PolarHBondContact O-N 3.28Å; L28-G32 PolarHBondContact O-N 3.46Å; L28-N105 HydrophobicContact CD2-CB 4.45Å; L28-L109 HydrophobicContact CB-CD1 4.06Å; L28-L112 HydrophobicContact CD1-CD1 3.45Å; L28-L112 VanDerWaalsContact CD1-CD1 3.45Å |
| 29 | E | 91.1 | Very high | 89.9 | Confident | 86 Ų | 86 | 81.2 Ų | 81.2 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.1 | -70 | 179.7 | 154.6 | 0 | 0 | 111.4 | I25 Q26 Y31 G32 E33 L109 K113 | I25-E29 PolarHBondContact O-N 3.19Å; Q26-E29 PolarHBondContact O-N 3.42Å; E29-Y31 VanDerWaalsContact C-N 3.32Å; E29-Y31 PolarHBondContact O-N 2.86Å; E29-G32 PolarHBondContact O-N 3.29Å; E29-G32 VanDerWaalsContact O-N 3.09Å; E29-E33 PolarHBondContact O-N 2.93Å; E29-L109 HydrophobicContact CG-CD1 3.85Å; E29-L109 HydrophobicContact CG-CD2 3.72Å; E29-L109 HydrophobicContact CG-CG 4.44Å; E29-K113 VanDerWaalsContact OE1-CE 3.27Å; E29-K113 WeakPolarHBondContact OE1-CE 3.17Å; E29-K113 IonicContact OE1-NZ 2.91Å; E29-K113 PolarHBondContact OE1-NZ 2.85Å |
| 30 | D | 90.2 | Very high | 89.7 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 174.8 | -118.5 | 26.3 | 0 | 0 | 0 | 111.9 | Q26 T27 K34 | Q26-D30 WeakPolarHBondContact O-CB 3.5Å; Q26-D30 PolarHBondContact O-N 2.88Å; T27-D30 PolarHBondContact O-N 2.82Å; D30-K34 VanDerWaalsContact CG-NZ 3.31Å; D30-K34 WeakPolarHBondContact O-CB 3.49Å; D30-K34 WeakPolarHBondContact O-CD 3.41Å; D30-K34 WeakPolarHBondContact O-CE 3.2Å; D30-K34 WeakPolarHBondContact O-CG 3.31Å; D30-K34 PolarHBondContact O-N 3.42Å; D30-K34 VanDerWaalsContact O-N 3.09Å; D30-K34 WeakPolarHBondContact OD2-CE 3.38Å; D30-K34 IonicContact OD2-NZ 2.93Å; D30-K34 PolarHBondContact OD2-NZ 2.97Å |
| 31 | Y | 89.1 | Confident | 89.5 | Confident | 135 Ų | 135 | 84.3 Ų | 84.3 | 53% | 0.529 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.5 | -79.6 | -57.3 | 0 | 0 | 0 | 111.5 | T27 L28 E29 E33 K34 Y35 | T27-Y31 WeakPolarHBondContact O-CB 3.35Å; T27-Y31 WeakPolarHBondContact O-CD2 3.11Å; T27-Y31 PolarHBondContact O-N 2.92Å; L28-Y31 PolarHBondContact O-N 3.28Å; E29-Y31 VanDerWaalsContact C-N 3.32Å; E29-Y31 PolarHBondContact O-N 2.86Å; Y31-E33 PolarHBondContact O-N 3.36Å; Y31-K34 PolarHBondContact O-N 2.96Å; Y31-Y35 WeakPolarHBondContact O-CB 3.36Å; Y31-Y35 WeakPolarHBondContact O-CD2 3.41Å; Y31-Y35 PolarHBondContact O-N 3.34Å |
| 32 | G | 87.4 | Confident | 89.2 | Confident | 34 Ų | 34 | 92.5 Ų | 92.5 | 35% | 0.351 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.5 | -48.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L28 E29 Y35 Q36 | L28-G32 PolarHBondContact O-N 3.46Å; E29-G32 PolarHBondContact O-N 3.29Å; E29-G32 VanDerWaalsContact O-N 3.09Å; G32-Y35 PolarHBondContact O-N 3Å; G32-Q36 WeakPolarHBondContact O-CG 3.35Å; G32-Q36 PolarHBondContact O-N 3.16Å |
| 33 | E | 86.9 | Confident | 89.1 | Confident | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 174.7 | -81.6 | -142.1 | 177.1 | 0 | 0 | 112.8 | E29 Y31 Y35 Q36 K37 | E29-E33 PolarHBondContact O-N 2.93Å; Y31-E33 PolarHBondContact O-N 3.36Å; E33-Y35 PolarHBondContact O-N 3.18Å; E33-Q36 PolarHBondContact O-N 2.71Å; E33-K37 WeakPolarHBondContact O-CD 3.47Å; E33-K37 VanDerWaalsContact O-CG 3.31Å; E33-K37 WeakPolarHBondContact O-CG 3.44Å; E33-K37 PolarHBondContact O-N 3.42Å; E33-K37 WeakPolarHBondContact OE2-CE 3.27Å; E33-K37 IonicContact OE2-NZ 3.65Å; E33-K37 PolarHBondContact OE2-NZ 3.5Å |
| 34 | K | 87.4 | Confident | 88.8 | Confident | 95 Ų | 95 | 87 Ų | 87 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | -178.7 | -69.3 | 161.9 | -160 | 173.1 | 0 | 110.8 | D30 Y31 K37 Q38 | D30-K34 VanDerWaalsContact CG-NZ 3.31Å; D30-K34 WeakPolarHBondContact O-CB 3.49Å; D30-K34 WeakPolarHBondContact O-CD 3.41Å; D30-K34 WeakPolarHBondContact O-CE 3.2Å; D30-K34 WeakPolarHBondContact O-CG 3.31Å; D30-K34 PolarHBondContact O-N 3.42Å; D30-K34 VanDerWaalsContact O-N 3.09Å; D30-K34 WeakPolarHBondContact OD2-CE 3.38Å; D30-K34 IonicContact OD2-NZ 2.93Å; D30-K34 PolarHBondContact OD2-NZ 2.97Å; Y31-K34 PolarHBondContact O-N 2.96Å; K34-K37 PolarHBondContact O-N 3.13Å; K34-Q38 WeakPolarHBondContact O-CB 3.41Å; K34-Q38 WeakPolarHBondContact O-CG 2.81Å; K34-Q38 PolarHBondContact O-N 3.26Å |
| 35 | Y | 84.3 | Confident | 88.6 | Confident | 71 Ų | 71 | 84.5 Ų | 84.5 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 174.4 | -95.2 | -104.7 | 0 | 0 | 0 | 112.5 | Y31 G32 E33 K37 Q38 L39 F98 | Y31-Y35 WeakPolarHBondContact O-CB 3.36Å; Y31-Y35 WeakPolarHBondContact O-CD2 3.41Å; Y31-Y35 PolarHBondContact O-N 3.34Å; G32-Y35 PolarHBondContact O-N 3Å; E33-Y35 PolarHBondContact O-N 3.18Å; Y35-K37 VanDerWaalsContact C-N 3.31Å; Y35-K37 PolarHBondContact O-N 3.3Å; Y35-Q38 PolarHBondContact O-N 3.45Å; Y35-L39 WeakPolarHBondContact O-CB 3.44Å; Y35-L39 PolarHBondContact O-N 2.85Å; Y35-F98 HydrophobicContact CD1-CD1 4.34Å; Y35-F98 HydrophobicContact CD1-CE1 4.44Å; Y35-F98 HydrophobicContact CE1-CD1 4.31Å; Y35-F98 HydrophobicContact CE1-CE1 4.11Å |
| 36 | Q | 82.7 | Confident | 88.4 | Confident | 83 Ų | 83 | 85.8 Ų | 85.8 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.9 | -79.7 | -69 | -24 | 0 | 0 | 112.5 | G32 E33 K40 | G32-Q36 WeakPolarHBondContact O-CG 3.35Å; G32-Q36 PolarHBondContact O-N 3.16Å; E33-Q36 PolarHBondContact O-N 2.71Å; Q36-K40 WeakPolarHBondContact O-CG 3.41Å; Q36-K40 PolarHBondContact O-N 3.05Å |
| 37 | K | 87.3 | Confident | 88.2 | Confident | 120 Ų | 120 | 83.1 Ų | 83.1 | 52% | 0.522 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 175.5 | -68.4 | 162.8 | -171.8 | 169.3 | 0 | 111.6 | E33 K34 Y35 K41 | E33-K37 WeakPolarHBondContact O-CD 3.47Å; E33-K37 VanDerWaalsContact O-CG 3.31Å; E33-K37 WeakPolarHBondContact O-CG 3.44Å; E33-K37 PolarHBondContact O-N 3.42Å; E33-K37 WeakPolarHBondContact OE2-CE 3.27Å; E33-K37 IonicContact OE2-NZ 3.65Å; E33-K37 PolarHBondContact OE2-NZ 3.5Å; K34-K37 PolarHBondContact O-N 3.13Å; Y35-K37 VanDerWaalsContact C-N 3.31Å; Y35-K37 PolarHBondContact O-N 3.3Å; K37-K41 WeakPolarHBondContact O-CG 3.43Å; K37-K41 PolarHBondContact O-N 3.02Å |
| 38 | Q | 85.4 | Confident | 88.1 | Confident | 101 Ų | 101 | 85.8 Ų | 85.8 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.4 | -48.1 | 174.9 | -75 | 178.3 | -1.6 | 0 | 0 | 112.6 | K34 Y35 K40 K41 W42 | K34-Q38 WeakPolarHBondContact O-CB 3.41Å; K34-Q38 WeakPolarHBondContact O-CG 2.81Å; K34-Q38 PolarHBondContact O-N 3.26Å; Y35-Q38 PolarHBondContact O-N 3.45Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 2.87Å; Q38-K41 CarbonylContact O-C 3.59Å; Q38-K41 WeakPolarHBondContact O-CA 3.35Å; Q38-K41 WeakPolarHBondContact O-CB 3.4Å; Q38-K41 PolarHBondContact O-N 2.82Å; Q38-W42 PolarHBondContact O-N 3.37Å |
| 39 | L | 85.5 | Confident | 88.1 | Confident | 38 Ų | 38 | 92.3 Ų | 92.3 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -55.8 | -42.3 | -178.5 | -177.4 | 63.3 | 0 | 0 | 0 | 111.8 | Y35 W42 V43 F98 | Y35-L39 WeakPolarHBondContact O-CB 3.44Å; Y35-L39 PolarHBondContact O-N 2.85Å; L39-W42 PolarHBondContact O-N 2.83Å; L39-V43 HydrophobicContact CD1-CG2 3.92Å; L39-V43 HydrophobicContact CG-CG2 4.37Å; L39-V43 WeakPolarHBondContact O-CB 3.35Å; L39-V43 WeakPolarHBondContact O-CG2 3.02Å; L39-V43 PolarHBondContact O-N 2.85Å; L39-F98 HydrophobicContact CD1-CB 4.01Å; L39-F98 HydrophobicContact CD1-CD2 3.58Å; L39-F98 HydrophobicContact CD1-CE2 4.3Å; L39-F98 HydrophobicContact CD1-CG 3.92Å; L39-F98 HydrophobicContact CD2-CB 4.34Å |
| 40 | K | 86 | Confident | 88.2 | Confident | 152 Ų | 152 | 89.1 Ų | 89.1 | 66% | 0.661 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 175.7 | -69.6 | 172.9 | -175.2 | 178.3 | 0 | 112.3 | Q36 Q38 G44 | Q36-K40 WeakPolarHBondContact O-CG 3.41Å; Q36-K40 PolarHBondContact O-N 3.05Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 2.87Å; K40-G44 PolarHBondContact O-N 2.68Å; K40-G44 VanDerWaalsContact O-N 3.07Å |
| 41 | K | 89.2 | Confident | 88.3 | Confident | 166 Ų | 166 | 88.8 Ų | 88.8 | 72% | 0.722 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.4 | -45.4 | 174.1 | -71.7 | -178.2 | 176.3 | -171.5 | 0 | 112.3 | K37 Q38 G45 | K37-K41 WeakPolarHBondContact O-CG 3.43Å; K37-K41 PolarHBondContact O-N 3.02Å; Q38-K41 CarbonylContact O-C 3.59Å; Q38-K41 WeakPolarHBondContact O-CA 3.35Å; Q38-K41 WeakPolarHBondContact O-CB 3.4Å; Q38-K41 PolarHBondContact O-N 2.82Å; K41-G45 PolarHBondContact O-N 3.18Å |
| 42 | W | 88.4 | Confident | 88.5 | Confident | 182 Ų | 182 | 87.5 Ų | 87.5 | 69% | 0.689 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.5 | -48.3 | -179.2 | -85.2 | 78.2 | 0 | 0 | 0 | 112.4 | Q38 L39 G45 M46 | Q38-W42 PolarHBondContact O-N 3.37Å; L39-W42 PolarHBondContact O-N 2.83Å; W42-G45 PolarHBondContact O-N 2.91Å; W42-M46 VanDerWaalsContact O-CB 3.28Å; W42-M46 WeakPolarHBondContact O-CB 3.23Å; W42-M46 PolarHBondContact O-N 3.02Å |
| 43 | V | 88.9 | Confident | 88.7 | Confident | 22 Ų | 22 | 90.3 Ų | 90.3 | 13% | 0.133 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L39 L47 R91 V95 | L39-V43 HydrophobicContact CD1-CG2 3.92Å; L39-V43 HydrophobicContact CG-CG2 4.37Å; L39-V43 WeakPolarHBondContact O-CB 3.35Å; L39-V43 WeakPolarHBondContact O-CG2 3.02Å; L39-V43 PolarHBondContact O-N 2.85Å; V43-L47 HydrophobicContact CG1-CD1 4.16Å; V43-L47 WeakPolarHBondContact O-CB 3.36Å; V43-L47 WeakPolarHBondContact O-CG 3.43Å; V43-L47 PolarHBondContact O-N 2.67Å; V43-L47 VanDerWaalsContact O-N 3.14Å; V43-R91 HydrophobicContact CG1-CG 4.37Å; V43-V95 HydrophobicContact CG2-CG2 4.4Å |
| 44 | G | 88.2 | Confident | 88.9 | Confident | 30 Ų | 30 | 87.1 Ų | 87.1 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K40 L47 L48 | K40-G44 PolarHBondContact O-N 2.68Å; K40-G44 VanDerWaalsContact O-N 3.07Å; G44-L47 PolarHBondContact O-N 2.97Å; G44-L48 WeakPolarHBondContact O-CG 3.49Å; G44-L48 PolarHBondContact O-N 3.4Å |
| 45 | G | 90.6 | Very high | 89.1 | Confident | 19 Ų | 19 | 87.1 Ų | 87.1 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K41 W42 L47 L48 Y49 | K41-G45 PolarHBondContact O-N 3.18Å; W42-G45 PolarHBondContact O-N 2.91Å; G45-L47 VanDerWaalsContact C-N 3.31Å; G45-L47 PolarHBondContact O-N 3.12Å; G45-L48 PolarHBondContact O-N 3.3Å; G45-L48 VanDerWaalsContact O-N 3.12Å; G45-Y49 WeakPolarHBondContact O-CD2 3.44Å; G45-Y49 PolarHBondContact O-N 2.98Å |
| 46 | M | 88.4 | Confident | 89.5 | Confident | 40 Ų | 40 | 87.5 Ų | 87.5 | 20% | 0.197 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 176.5 | -170.8 | -164.8 | 77.4 | 0 | 0 | 112.3 | W42 S50 V87 L90 R91 L94 | W42-M46 VanDerWaalsContact O-CB 3.28Å; W42-M46 WeakPolarHBondContact O-CB 3.23Å; W42-M46 PolarHBondContact O-N 3.02Å; M46-S50 VanDerWaalsContact O-CB 3.23Å; M46-S50 WeakPolarHBondContact O-CB 3.33Å; M46-S50 PolarHBondContact O-N 3.27Å; M46-S50 PolarHBondContact O-OG 3.36Å; M46-V87 HydrophobicContact CE-CG1 4.47Å; M46-L90 HydrophobicContact SD-CB 4.35Å; M46-R91 HydrophobicContact CE-CB 3.72Å; M46-R91 HydrophobicContact CE-CG 4.3Å; M46-L94 HydrophobicContact CE-CD1 4.46Å; M46-L94 HydrophobicContact SD-CD1 3.55Å; M46-L94 VanDerWaalsContact SD-CD1 3.55Å |
| 47 | L | 89.9 | Confident | 89.7 | Confident | 70 Ų | 70 | 86.6 Ų | 86.6 | 37% | 0.366 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 174.6 | -77.1 | 167.8 | 0 | 0 | 0 | 112.6 | V43 G44 G45 S50 C51 | V43-L47 HydrophobicContact CG1-CD1 4.16Å; V43-L47 WeakPolarHBondContact O-CB 3.36Å; V43-L47 WeakPolarHBondContact O-CG 3.43Å; V43-L47 PolarHBondContact O-N 2.67Å; V43-L47 VanDerWaalsContact O-N 3.14Å; G44-L47 PolarHBondContact O-N 2.97Å; G45-L47 VanDerWaalsContact C-N 3.31Å; G45-L47 PolarHBondContact O-N 3.12Å; L47-S50 WeakPolarHBondContact CA-OG 3.25Å; L47-S50 PolarHBondContact O-OG 3.14Å; L47-C51 VanDerWaalsContact O-CB 3.25Å; L47-C51 WeakPolarHBondContact O-CB 3.5Å; L47-C51 PolarHBondContact O-N 2.96Å; L47-C51 VanDerWaalsContact O-N 3.09Å |
| 48 | L | 91.4 | Very high | 89.8 | Confident | 128 Ų | 128 | 84.2 Ų | 84.2 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.6 | -47.9 | 175.7 | -69.6 | 170.2 | 0 | 0 | 0 | 112.1 | G44 G45 C51 L52 | G44-L48 WeakPolarHBondContact O-CG 3.49Å; G44-L48 PolarHBondContact O-N 3.4Å; G45-L48 PolarHBondContact O-N 3.3Å; G45-L48 VanDerWaalsContact O-N 3.12Å; L48-C51 PolarHBondContact O-N 3.07Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 PolarHBondContact O-N 3.45Å |
| 49 | Y | 92.4 | Very high | 90 | Very high | 174 Ų | 174 | 83.3 Ų | 83.3 | 68% | 0.682 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 178.8 | -69.3 | -57.5 | 0 | 0 | 0 | 112.3 | G45 L52 L53 | G45-Y49 WeakPolarHBondContact O-CD2 3.44Å; G45-Y49 PolarHBondContact O-N 2.98Å; Y49-L52 PolarHBondContact O-N 2.68Å; Y49-L53 VanDerWaalsContact O-CB 3.28Å; Y49-L53 WeakPolarHBondContact O-CB 3.46Å; Y49-L53 PolarHBondContact O-N 2.84Å |
| 50 | S | 92.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 85.1 Ų | 85.1 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 176.2 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | M46 L47 Y54 F83 | M46-S50 VanDerWaalsContact O-CB 3.23Å; M46-S50 WeakPolarHBondContact O-CB 3.33Å; M46-S50 PolarHBondContact O-N 3.27Å; M46-S50 PolarHBondContact O-OG 3.36Å; L47-S50 WeakPolarHBondContact CA-OG 3.25Å; L47-S50 PolarHBondContact O-OG 3.14Å; S50-Y54 VanDerWaalsContact O-CB 3.28Å; S50-Y54 WeakPolarHBondContact O-CB 3.44Å; S50-Y54 PolarHBondContact O-N 2.9Å; S50-F83 WeakPolarHBondContact O-CE1 3.35Å; S50-F83 WeakPolarHBondContact O-CZ 3.46Å |
| 51 | C | 91.8 | Very high | 90.1 | Very high | 71 Ų | 71 | 80 Ų | 80 | 48% | 0.48 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 171.8 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | L47 L48 Y54 L55 | L47-C51 VanDerWaalsContact O-CB 3.25Å; L47-C51 WeakPolarHBondContact O-CB 3.5Å; L47-C51 PolarHBondContact O-N 2.96Å; L47-C51 VanDerWaalsContact O-N 3.09Å; L48-C51 PolarHBondContact O-N 3.07Å; C51-Y54 WeakPolarHBondContact O-CB 3.24Å; C51-Y54 PolarHBondContact O-N 2.88Å; C51-L55 WeakPolarHBondContact O-CG 3.37Å; C51-L55 PolarHBondContact O-N 2.87Å |
| 52 | L | 94.3 | Very high | 89.8 | Confident | 107 Ų | 107 | 81.3 Ų | 81.3 | 56% | 0.56 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.9 | -47.3 | 178.1 | -178.6 | 66 | 0 | 0 | 0 | 111.8 | L48 Y49 Y54 L55 V56 | L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 PolarHBondContact O-N 3.45Å; Y49-L52 PolarHBondContact O-N 2.68Å; L52-Y54 VanDerWaalsContact C-N 3.33Å; L52-Y54 PolarHBondContact O-N 3.31Å; L52-L55 PolarHBondContact O-N 3.17Å; L52-V56 WeakPolarHBondContact O-CG2 3.41Å; L52-V56 PolarHBondContact O-N 2.87Å |
| 53 | L | 91.7 | Very high | 89.7 | Confident | 94 Ų | 94 | 78.6 Ų | 78.6 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 178.7 | -169 | 155.9 | 0 | 0 | 0 | 111 | Y49 V56 T57 F83 | Y49-L53 VanDerWaalsContact O-CB 3.28Å; Y49-L53 WeakPolarHBondContact O-CB 3.46Å; Y49-L53 PolarHBondContact O-N 2.84Å; L53-V56 PolarHBondContact O-N 2.9Å; L53-T57 HydrophobicContact CD2-CG2 3.99Å; L53-T57 WeakPolarHBondContact O-CG2 3.21Å; L53-T57 PolarHBondContact O-N 3.34Å; L53-T57 PolarHBondContact O-OG1 3.04Å; L53-F83 HydrophobicContact CD2-CE2 3.8Å; L53-F83 HydrophobicContact CD2-CZ 4.04Å |
| 54 | Y | 91.1 | Very high | 89.5 | Confident | 48 Ų | 48 | 88.3 Ų | 88.3 | 19% | 0.188 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 175.3 | -165.5 | -114.9 | 0 | 0 | 0 | 112.4 | S50 C51 L52 V56 T57 L58 F80 F83 | S50-Y54 VanDerWaalsContact O-CB 3.28Å; S50-Y54 WeakPolarHBondContact O-CB 3.44Å; S50-Y54 PolarHBondContact O-N 2.9Å; C51-Y54 WeakPolarHBondContact O-CB 3.24Å; C51-Y54 PolarHBondContact O-N 2.88Å; L52-Y54 VanDerWaalsContact C-N 3.33Å; L52-Y54 PolarHBondContact O-N 3.31Å; Y54-V56 PolarHBondContact O-N 2.68Å; Y54-T57 WeakPolarHBondContact CA-OG1 3.32Å; Y54-T57 PolarHBondContact O-N 3.2Å; Y54-T57 PolarHBondContact O-OG1 3.5Å; Y54-L58 HydrophobicContact CD1-CD1 4.23Å; Y54-L58 HydrophobicContact CE1-CD1 4.31Å; Y54-L58 PolarHBondContact O-N 3.37Å; Y54-F80 HydrophobicContact CD1-CE2 4.44Å; Y54-F80 HydrophobicContact CE1-CD2 4.31Å; Y54-F80 AromaticContact CE1-CE2 3.53Å; Y54-F80 HydrophobicContact CE1-CE2 3.53Å; Y54-F80 AromaticContact CE1-CZ 3.76Å; Y54-F80 HydrophobicContact CE1-CZ 3.76Å; Y54-F80 AromaticContact CE2-CD2 3.76Å; Y54-F80 HydrophobicContact CE2-CD2 3.76Å; Y54-F80 AromaticContact CE2-CE2 3.82Å; Y54-F80 HydrophobicContact CE2-CE2 3.82Å; Y54-F80 HydrophobicContact CE2-CG 4.45Å; Y54-F80 AromaticContact CZ-CD2 3.55Å; Y54-F80 AromaticContact CZ-CE2 3.19Å; Y54-F80 AromaticContact CZ-CZ 3.58Å; Y54-F80 WeakPolarHBondContact OH-CD1 3.46Å; Y54-F80 WeakPolarHBondContact OH-CD2 3.5Å; Y54-F80 VanDerWaalsContact OH-CE1 3.28Å; Y54-F80 WeakPolarHBondContact OH-CE1 3.27Å; Y54-F80 WeakPolarHBondContact OH-CE2 3.3Å; Y54-F80 WeakPolarHBondContact OH-CZ 3.45Å; Y54-F80 PolarHBondContact OH-O 3.5Å; Y54-F80 VanDerWaalsContact OH-O 3.12Å; Y54-F83 HydrophobicContact CD2-CB 4.31Å; Y54-F83 AromaticContact CD2-CD1 3.26Å; Y54-F83 HydrophobicContact CD2-CD1 3.26Å; Y54-F83 AromaticContact CD2-CE1 3.74Å; Y54-F83 HydrophobicContact CD2-CE1 3.74Å; Y54-F83 AromaticContact CD2-CG 3.94Å; Y54-F83 HydrophobicContact CD2-CG 3.94Å; Y54-F83 HydrophobicContact CE2-CB 4.2Å; Y54-F83 AromaticContact CE2-CD1 3.76Å; Y54-F83 HydrophobicContact CE2-CD1 3.76Å; Y54-F83 HydrophobicContact CE2-CG 4.3Å; Y54-F83 HydrophobicContact CG-CD1 4.1Å; Y54-F83 HydrophobicContact CG-CE1 4.16Å |
| 55 | L | 92.1 | Very high | 88.9 | Confident | 94 Ų | 94 | 93 Ų | 93 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -40 | 175.1 | -69.4 | 171.9 | 0 | 0 | 0 | 111.9 | C51 L52 L58 V59 | C51-L55 WeakPolarHBondContact O-CG 3.37Å; C51-L55 PolarHBondContact O-N 2.87Å; L52-L55 PolarHBondContact O-N 3.17Å; L55-L58 HydrophobicContact CD2-CD1 4.48Å; L55-L58 WeakPolarHBondContact O-CB 3.13Å; L55-L58 PolarHBondContact O-N 3.06Å; L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 2.96Å |
| 56 | V | 91.7 | Very high | 87.8 | Confident | 80 Ų | 80 | 100.8 Ų | 100.8 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 111 | L52 L53 Y54 L58 V59 V60 | L52-V56 WeakPolarHBondContact O-CG2 3.41Å; L52-V56 PolarHBondContact O-N 2.87Å; L53-V56 PolarHBondContact O-N 2.9Å; Y54-V56 PolarHBondContact O-N 2.68Å; V56-L58 VanDerWaalsContact C-N 3.32Å; V56-L58 PolarHBondContact O-N 3.41Å; V56-V59 PolarHBondContact O-N 2.84Å; V56-V60 HydrophobicContact CG1-CG2 4.29Å; V56-V60 WeakPolarHBondContact O-CG2 3.44Å; V56-V60 PolarHBondContact O-N 3.44Å |
| 57 | T | 87.6 | Confident | 86.7 | Confident | 63 Ų | 63 | 100.5 Ų | 100.5 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | L53 Y54 V61 | L53-T57 HydrophobicContact CD2-CG2 3.99Å; L53-T57 WeakPolarHBondContact O-CG2 3.21Å; L53-T57 PolarHBondContact O-N 3.34Å; L53-T57 PolarHBondContact O-OG1 3.04Å; Y54-T57 WeakPolarHBondContact CA-OG1 3.32Å; Y54-T57 PolarHBondContact O-N 3.2Å; Y54-T57 PolarHBondContact O-OG1 3.5Å; T57-V61 WeakPolarHBondContact O-CB 3.34Å; T57-V61 WeakPolarHBondContact O-CG2 3.36Å; T57-V61 PolarHBondContact O-N 2.97Å |
| 58 | L | 88.1 | Confident | 85.8 | Confident | 70 Ų | 70 | 105.9 Ų | 105.9 | 37% | 0.366 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 172.6 | -90.1 | 169.8 | 0 | 0 | 0 | 112.1 | Y54 L55 V56 Y62 F80 | Y54-L58 HydrophobicContact CD1-CD1 4.23Å; Y54-L58 HydrophobicContact CE1-CD1 4.31Å; Y54-L58 PolarHBondContact O-N 3.37Å; L55-L58 HydrophobicContact CD2-CD1 4.48Å; L55-L58 WeakPolarHBondContact O-CB 3.13Å; L55-L58 PolarHBondContact O-N 3.06Å; V56-L58 VanDerWaalsContact C-N 3.32Å; V56-L58 PolarHBondContact O-N 3.41Å; L58-Y62 VanDerWaalsContact O-CB 3.23Å; L58-Y62 WeakPolarHBondContact O-CB 3.44Å; L58-Y62 PolarHBondContact O-N 3.49Å; L58-F80 HydrophobicContact CD1-CE2 3.9Å; L58-F80 HydrophobicContact CD1-CZ 4.32Å; L58-F80 HydrophobicContact CD2-CD2 4.35Å; L58-F80 HydrophobicContact CD2-CE2 3.57Å; L58-F80 HydrophobicContact CD2-CZ 4.18Å; L58-F80 HydrophobicContact CG-CE2 3.77Å |
| 59 | V | 89.8 | Confident | 85.4 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 179 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L55 V56 Y62 L63 | L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 2.96Å; V56-V59 PolarHBondContact O-N 2.84Å; V59-Y62 PolarHBondContact O-N 2.96Å; V59-L63 HydrophobicContact CG1-CD1 3.7Å; V59-L63 HydrophobicContact CG1-CG 4.27Å; V59-L63 WeakPolarHBondContact O-CB 3.15Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 2.91Å |
| 60 | V | 87.9 | Confident | 85 | Confident | 75 Ų | 75 | 104.9 Ų | 104.9 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111 | V56 Y62 L63 W64 | V56-V60 HydrophobicContact CG1-CG2 4.29Å; V56-V60 WeakPolarHBondContact O-CG2 3.44Å; V56-V60 PolarHBondContact O-N 3.44Å; V60-Y62 VanDerWaalsContact C-N 3.35Å; V60-Y62 PolarHBondContact O-N 2.78Å; V60-L63 PolarHBondContact O-N 2.64Å; V60-W64 WeakPolarHBondContact O-CB 3.39Å; V60-W64 PolarHBondContact O-N 3.09Å |
| 61 | V | 85.9 | Confident | 84.6 | Confident | 45 Ų | 45 | 110.8 Ų | 110.8 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 175 | 166.4 | 0 | 0 | 0 | 0 | 111 | T57 L63 W64 Y65 L76 | T57-V61 WeakPolarHBondContact O-CB 3.34Å; T57-V61 WeakPolarHBondContact O-CG2 3.36Å; T57-V61 PolarHBondContact O-N 2.97Å; V61-L63 PolarHBondContact O-N 2.93Å; V61-W64 PolarHBondContact O-N 2.99Å; V61-Y65 WeakPolarHBondContact O-CA 3.37Å; V61-Y65 WeakPolarHBondContact O-CB 3.46Å; V61-Y65 PolarHBondContact O-N 2.84Å; V61-L76 HydrophobicContact CB-CD1 4.49Å; V61-L76 HydrophobicContact CG1-CD1 3.75Å; V61-L76 HydrophobicContact CG1-CD2 3.91Å; V61-L76 HydrophobicContact CG1-CG 4.45Å; V61-L76 HydrophobicContact CG2-CD1 3.87Å |
| 62 | Y | 84.1 | Confident | 84.2 | Confident | 194 Ų | 194 | 108.5 Ų | 108.5 | 76% | 0.761 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 179.5 | 177.7 | -96.3 | 0 | 0 | 0 | 113 | L58 V59 V60 | L58-Y62 VanDerWaalsContact O-CB 3.23Å; L58-Y62 WeakPolarHBondContact O-CB 3.44Å; L58-Y62 PolarHBondContact O-N 3.49Å; V59-Y62 PolarHBondContact O-N 2.96Å; V60-Y62 VanDerWaalsContact C-N 3.35Å; V60-Y62 PolarHBondContact O-N 2.78Å |
| 63 | L | 86.1 | Confident | 83.7 | Confident | 125 Ų | 125 | 108.9 Ų | 108.9 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -79.6 | -24.9 | -179.3 | -68.9 | 174.9 | 0 | 0 | 0 | 113.8 | V59 V60 V61 | V59-L63 HydrophobicContact CG1-CD1 3.7Å; V59-L63 HydrophobicContact CG1-CG 4.27Å; V59-L63 WeakPolarHBondContact O-CB 3.15Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 2.91Å; V60-L63 PolarHBondContact O-N 2.64Å; V61-L63 PolarHBondContact O-N 2.93Å |
| 64 | W | 83.1 | Confident | 83.6 | Confident | 225 Ų | 225 | 109.5 Ų | 109.5 | 85% | 0.852 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -107.5 | -17 | -177.2 | -83.4 | 30.2 | 0 | 0 | 0 | 114.8 | V60 V61 | V60-W64 WeakPolarHBondContact O-CB 3.39Å; V60-W64 PolarHBondContact O-N 3.09Å; V61-W64 PolarHBondContact O-N 2.99Å |
| 65 | Y | 77.3 | Confident | 83.5 | Confident | 130 Ų | 130 | 112 Ų | 112 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | trans | -132.5 | 102.9 | -159.2 | -134.8 | -115.5 | 0 | 0 | 0 | 114.4 | V61 P67 | V61-Y65 WeakPolarHBondContact O-CA 3.37Å; V61-Y65 WeakPolarHBondContact O-CB 3.46Å; V61-Y65 PolarHBondContact O-N 2.84Å; Y65-P67 VanDerWaalsContact C-CD 3.44Å; Y65-P67 HydrophobicContact CD1-CB 3.93Å; Y65-P67 HydrophobicContact CD1-CG 3.77Å; Y65-P67 HydrophobicContact CE1-CB 3.76Å; Y65-P67 HydrophobicContact CE1-CG 4.04Å; Y65-P67 VanDerWaalsContact O-CD 3.26Å; Y65-P67 WeakPolarHBondContact O-CD 3.39Å | ||
| 66 | M | 65.8 | Low | 83.1 | Confident | 182 Ų | 182 | 110.2 Ų | 110.2 | 90% | 0.897 | 55% | 0.545 | S | S | * | . | trans | -111.1 | 79.6 | 165.2 | -78.9 | -78.4 | -86.4 | 0 | 0 | 109.7 | E68 | M66-E68 PolarHBondContact O-N 3.1Š| ||
| 67 | P | 65.2 | Low | 82.9 | Confident | 34 Ų | 34 | 111.3 Ų | 111.3 | 22% | 0.221 | 55% | 0.546 | C | S | . | . | trans | -80.3 | 115.2 | -173.2 | 30.5 | -34.6 | 0 | 0 | 0 | 112.2 | Y65 R73 | Y65-P67 VanDerWaalsContact C-CD 3.44Å; Y65-P67 HydrophobicContact CD1-CB 3.93Å; Y65-P67 HydrophobicContact CD1-CG 3.77Å; Y65-P67 HydrophobicContact CE1-CB 3.76Å; Y65-P67 HydrophobicContact CE1-CG 4.04Å; Y65-P67 VanDerWaalsContact O-CD 3.26Å; Y65-P67 WeakPolarHBondContact O-CD 3.39Å; P67-R73 HydrophobicContact CB-CG 4.42Å; P67-R73 HydrophobicContact CG-CG 4.11Å; P67-R73 VanDerWaalsContact O-CZ 3.25Å; P67-R73 PolarHBondContact O-NE 3.27Å; P67-R73 PolarHBondContact O-NH2 3.17Å | ||
| 68 | E | 72.7 | Confident | 83.1 | Confident | 182 Ų | 182 | 114.1 Ų | 114.1 | 85% | 0.85 | 56% | 0.558 | S | S | * | * | trans | -71.7 | -33.3 | 169.4 | -61.9 | -165.4 | 141.9 | 0 | 0 | 112.3 | M66 R73 | M66-E68 PolarHBondContact O-N 3.1Å; E68-R73 PolarHBondContact O-NH2 2.85Å | ||
| 69 | Q | 82.6 | Confident | 83.1 | Confident | 158 Ų | 158 | 116.3 Ų | 116.3 | 74% | 0.738 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -87.8 | 134.5 | -167.8 | -137.4 | 171.3 | 22.2 | 0 | 0 | 113.7 | M71 G72 R73 | Q69-M71 PolarHBondContact O-N 3.31Å; Q69-G72 PolarHBondContact O-N 2.84Å; Q69-R73 PolarHBondContact O-N 2.84Å |
| 70 | L | 83.6 | Confident | 83 | Confident | 123 Ų | 123 | 116.7 Ų | 116.7 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.7 | -37.7 | -171.5 | -63.6 | 178.6 | 0 | 0 | 0 | 114.4 | G72 R73 L74 | L70-G72 PolarHBondContact O-N 2.74Å; L70-R73 WeakPolarHBondContact O-CB 3.47Å; L70-R73 PolarHBondContact O-N 2.7Å; L70-R73 VanDerWaalsContact O-N 3.15Å; L70-L74 PolarHBondContact O-N 3.37Å |
| 71 | M | 84.9 | Confident | 83.2 | Confident | 144 Ų | 144 | 117.5 Ų | 117.5 | 71% | 0.709 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -41.6 | -179.2 | -67.1 | -58.3 | -160.3 | 0 | 0 | 112.2 | Q69 R73 L74 V75 | Q69-M71 PolarHBondContact O-N 3.31Å; M71-R73 VanDerWaalsContact C-N 3.29Å; M71-R73 PolarHBondContact O-N 3.49Å; M71-L74 PolarHBondContact O-N 2.88Å; M71-L74 HydrophobicContact SD-CD1 4.39Å; M71-V75 WeakPolarHBondContact O-CG2 3.3Å; M71-V75 PolarHBondContact O-N 2.66Å |
| 72 | G | 83.8 | Confident | 83.5 | Confident | 22 Ų | 22 | 117.6 Ų | 117.6 | 23% | 0.227 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -62.5 | -36.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q69 L70 L76 | Q69-G72 PolarHBondContact O-N 2.84Å; L70-G72 PolarHBondContact O-N 2.74Å; G72-L76 WeakPolarHBondContact O-CB 3.45Å; G72-L76 PolarHBondContact O-N 3.24Å |
| 73 | R | 83.9 | Confident | 83.8 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 43% | 0.434 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 174.7 | -60.5 | 177.5 | -176.8 | 175.9 | 0.2 | 111.8 | P67 E68 Q69 L70 M71 L76 I77 | P67-R73 HydrophobicContact CB-CG 4.42Å; P67-R73 HydrophobicContact CG-CG 4.11Å; P67-R73 VanDerWaalsContact O-CZ 3.25Å; P67-R73 PolarHBondContact O-NE 3.27Å; P67-R73 PolarHBondContact O-NH2 3.17Å; E68-R73 PolarHBondContact O-NH2 2.85Å; Q69-R73 PolarHBondContact O-N 2.84Å; L70-R73 WeakPolarHBondContact O-CB 3.47Å; L70-R73 PolarHBondContact O-N 2.7Å; L70-R73 VanDerWaalsContact O-N 3.15Å; M71-R73 VanDerWaalsContact C-N 3.29Å; M71-R73 PolarHBondContact O-N 3.49Å; R73-L76 PolarHBondContact O-N 2.94Å; R73-I77 WeakPolarHBondContact O-CD1 3.27Å; R73-I77 VanDerWaalsContact O-CG1 3.24Å; R73-I77 WeakPolarHBondContact O-CG1 3.39Å; R73-I77 PolarHBondContact O-N 2.74Å |
| 74 | L | 89.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 107.5 Ų | 107.5 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | 176.9 | -68.8 | 175 | 0 | 0 | 0 | 112.4 | L70 M71 L76 I77 L78 | L70-L74 PolarHBondContact O-N 3.37Å; M71-L74 PolarHBondContact O-N 2.88Å; M71-L74 HydrophobicContact SD-CD1 4.39Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.47Å; L74-I77 PolarHBondContact O-N 3.47Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 PolarHBondContact O-N 2.94Å |
| 75 | V | 87.1 | Confident | 84.4 | Confident | 100 Ų | 100 | 99 Ų | 99 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | M71 L78 L79 | M71-V75 WeakPolarHBondContact O-CG2 3.3Å; M71-V75 PolarHBondContact O-N 2.66Å; V75-L78 PolarHBondContact O-N 2.63Å; V75-L79 PolarHBondContact O-N 2.85Å |
| 76 | L | 84.6 | Confident | 85.1 | Confident | 57 Ų | 57 | 97.4 Ų | 97.4 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 176.5 | -170.9 | 73.7 | 0 | 0 | 0 | 112.1 | V61 G72 R73 L74 L78 L79 F80 | V61-L76 HydrophobicContact CB-CD1 4.49Å; V61-L76 HydrophobicContact CG1-CD1 3.75Å; V61-L76 HydrophobicContact CG1-CD2 3.91Å; V61-L76 HydrophobicContact CG1-CG 4.45Å; V61-L76 HydrophobicContact CG2-CD1 3.87Å; G72-L76 WeakPolarHBondContact O-CB 3.45Å; G72-L76 PolarHBondContact O-N 3.24Å; R73-L76 PolarHBondContact O-N 2.94Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.47Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 2.77Å; L76-L79 PolarHBondContact O-N 2.96Å; L76-F80 WeakPolarHBondContact O-CB 3.3Å; L76-F80 PolarHBondContact O-N 2.87Å |
| 77 | I | 87.9 | Confident | 86.4 | Confident | 102 Ų | 102 | 89.9 Ų | 89.9 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 176.1 | -69.4 | 162.9 | 0 | 0 | 0 | 110.5 | R73 L74 L79 F80 V81 | R73-I77 WeakPolarHBondContact O-CD1 3.27Å; R73-I77 VanDerWaalsContact O-CG1 3.24Å; R73-I77 WeakPolarHBondContact O-CG1 3.39Å; R73-I77 PolarHBondContact O-N 2.74Å; L74-I77 PolarHBondContact O-N 3.47Å; I77-L79 PolarHBondContact O-N 2.78Å; I77-F80 PolarHBondContact O-N 3.08Å; I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 3.26Å |
| 78 | L | 90.7 | Very high | 87.7 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.8 | -46.7 | 176.6 | 178.7 | 61.2 | 0 | 0 | 0 | 111.5 | L74 V75 L76 F80 V81 A82 | L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 PolarHBondContact O-N 2.94Å; V75-L78 PolarHBondContact O-N 2.63Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 2.77Å; L78-F80 PolarHBondContact O-N 3.33Å; L78-V81 PolarHBondContact O-N 3.03Å; L78-A82 WeakPolarHBondContact O-CB 3.27Å; L78-A82 PolarHBondContact O-N 2.66Å |
| 79 | L | 88.4 | Confident | 88.7 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 177.1 | -177.6 | 62.1 | 0 | 0 | 0 | 111.9 | V75 L76 I77 V81 A82 F83 | V75-L79 PolarHBondContact O-N 2.85Å; L76-L79 PolarHBondContact O-N 2.96Å; I77-L79 PolarHBondContact O-N 2.78Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.34Å; L79-A82 PolarHBondContact O-N 3.06Å; L79-F83 PolarHBondContact O-N 3.1Å |
| 80 | F | 88.9 | Confident | 89.1 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -31.3 | 179.3 | -164.6 | -110.2 | 0 | 0 | 0 | 113.1 | Y54 L58 L76 I77 L78 P84 | Y54-F80 HydrophobicContact CD1-CE2 4.44Å; Y54-F80 HydrophobicContact CE1-CD2 4.31Å; Y54-F80 AromaticContact CE1-CE2 3.53Å; Y54-F80 HydrophobicContact CE1-CE2 3.53Å; Y54-F80 AromaticContact CE1-CZ 3.76Å; Y54-F80 HydrophobicContact CE1-CZ 3.76Å; Y54-F80 AromaticContact CE2-CD2 3.76Å; Y54-F80 HydrophobicContact CE2-CD2 3.76Å; Y54-F80 AromaticContact CE2-CE2 3.82Å; Y54-F80 HydrophobicContact CE2-CE2 3.82Å; Y54-F80 HydrophobicContact CE2-CG 4.45Å; Y54-F80 AromaticContact CZ-CD2 3.55Å; Y54-F80 AromaticContact CZ-CE2 3.19Å; Y54-F80 AromaticContact CZ-CZ 3.58Å; Y54-F80 WeakPolarHBondContact OH-CD1 3.46Å; Y54-F80 WeakPolarHBondContact OH-CD2 3.5Å; Y54-F80 VanDerWaalsContact OH-CE1 3.28Å; Y54-F80 WeakPolarHBondContact OH-CE1 3.27Å; Y54-F80 WeakPolarHBondContact OH-CE2 3.3Å; Y54-F80 WeakPolarHBondContact OH-CZ 3.45Å; Y54-F80 PolarHBondContact OH-O 3.5Å; Y54-F80 VanDerWaalsContact OH-O 3.12Å; L58-F80 HydrophobicContact CD1-CE2 3.9Å; L58-F80 HydrophobicContact CD1-CZ 4.32Å; L58-F80 HydrophobicContact CD2-CD2 4.35Å; L58-F80 HydrophobicContact CD2-CE2 3.57Å; L58-F80 HydrophobicContact CD2-CZ 4.18Å; L58-F80 HydrophobicContact CG-CE2 3.77Å; L76-F80 WeakPolarHBondContact O-CB 3.3Å; L76-F80 PolarHBondContact O-N 2.87Å; I77-F80 PolarHBondContact O-N 3.08Å; L78-F80 PolarHBondContact O-N 3.33Å; F80-P84 WeakPolarHBondContact O-CD 2.92Å; F80-P84 WeakPolarHBondContact O-CG 3.46Å |
| 81 | V | 91.1 | Very high | 89.4 | Confident | 91 Ų | 91 | 88 Ų | 88 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -85.5 | -36.1 | 174.6 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | I77 L78 L79 P84 A85 | I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 3.26Å; L78-V81 PolarHBondContact O-N 3.03Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.34Å; V81-P84 WeakPolarHBondContact O-CD 3.49Å; V81-P84 WeakPolarHBondContact O-CG 3.5Å; V81-A85 WeakPolarHBondContact O-CB 3.42Å; V81-A85 PolarHBondContact O-N 2.94Å |
| 82 | A | 91.4 | Very high | 89.8 | Confident | 47 Ų | 47 | 86.8 Ų | 86.8 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L78 L79 A85 L86 | L78-A82 WeakPolarHBondContact O-CB 3.27Å; L78-A82 PolarHBondContact O-N 2.66Å; L79-A82 PolarHBondContact O-N 3.06Å; A82-A85 PolarHBondContact O-N 2.94Å; A82-L86 VanDerWaalsContact O-CB 3.29Å; A82-L86 WeakPolarHBondContact O-CB 3.33Å; A82-L86 PolarHBondContact O-N 3.23Å |
| 83 | F | 90.3 | Very high | 90.2 | Very high | 49 Ų | 49 | 88.1 Ų | 88.1 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.9 | -55.2 | 179.5 | -177.1 | -89.7 | 0 | 0 | 0 | 114.2 | S50 L53 Y54 L79 A85 L86 V87 | S50-F83 WeakPolarHBondContact O-CE1 3.35Å; S50-F83 WeakPolarHBondContact O-CZ 3.46Å; L53-F83 HydrophobicContact CD2-CE2 3.8Å; L53-F83 HydrophobicContact CD2-CZ 4.04Å; Y54-F83 HydrophobicContact CD2-CB 4.31Å; Y54-F83 AromaticContact CD2-CD1 3.26Å; Y54-F83 HydrophobicContact CD2-CD1 3.26Å; Y54-F83 AromaticContact CD2-CE1 3.74Å; Y54-F83 HydrophobicContact CD2-CE1 3.74Å; Y54-F83 AromaticContact CD2-CG 3.94Å; Y54-F83 HydrophobicContact CD2-CG 3.94Å; Y54-F83 HydrophobicContact CE2-CB 4.2Å; Y54-F83 AromaticContact CE2-CD1 3.76Å; Y54-F83 HydrophobicContact CE2-CD1 3.76Å; Y54-F83 HydrophobicContact CE2-CG 4.3Å; Y54-F83 HydrophobicContact CG-CD1 4.1Å; Y54-F83 HydrophobicContact CG-CE1 4.16Å; L79-F83 PolarHBondContact O-N 3.1Å; F83-A85 VanDerWaalsContact C-N 3.28Å; F83-A85 PolarHBondContact O-N 3.11Å; F83-L86 WeakPolarHBondContact O-CB 3.48Å; F83-L86 PolarHBondContact O-N 2.91Å; F83-V87 HydrophobicContact CD1-CG2 4.11Å; F83-V87 HydrophobicContact CE1-CG2 3.71Å; F83-V87 HydrophobicContact CE2-CG2 4.35Å; F83-V87 HydrophobicContact CZ-CG2 3.86Å; F83-V87 WeakPolarHBondContact O-CG2 3.08Å; F83-V87 PolarHBondContact O-N 3.32Å |
| 84 | P | 90.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 85.2 Ų | 85.2 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.4 | -31 | 177.9 | 25.6 | -34.1 | 0 | 0 | 0 | 112.5 | F80 V81 W88 | F80-P84 WeakPolarHBondContact O-CD 2.92Å; F80-P84 WeakPolarHBondContact O-CG 3.46Å; V81-P84 WeakPolarHBondContact O-CD 3.49Å; V81-P84 WeakPolarHBondContact O-CG 3.5Å; P84-W88 VanDerWaalsContact O-CB 3.31Å; P84-W88 WeakPolarHBondContact O-CB 3.34Å; P84-W88 PolarHBondContact O-N 3.08Å |
| 85 | A | 93.1 | Very high | 90.5 | Very high | 46 Ų | 46 | 82.9 Ų | 82.9 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V81 A82 F83 W88 L89 | V81-A85 WeakPolarHBondContact O-CB 3.42Å; V81-A85 PolarHBondContact O-N 2.94Å; A82-A85 PolarHBondContact O-N 2.94Å; F83-A85 VanDerWaalsContact C-N 3.28Å; F83-A85 PolarHBondContact O-N 3.11Å; A85-W88 PolarHBondContact O-N 3.12Å; A85-L89 WeakPolarHBondContact O-CG 3.42Å; A85-L89 PolarHBondContact O-N 2.87Å |
| 86 | L | 92.3 | Very high | 90.7 | Very high | 97 Ų | 97 | 80.9 Ų | 80.9 | 51% | 0.508 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.1 | -179.8 | 64.6 | 0 | 0 | 0 | 111.5 | A82 F83 W88 L89 L90 | A82-L86 VanDerWaalsContact O-CB 3.29Å; A82-L86 WeakPolarHBondContact O-CB 3.33Å; A82-L86 PolarHBondContact O-N 3.23Å; F83-L86 WeakPolarHBondContact O-CB 3.48Å; F83-L86 PolarHBondContact O-N 2.91Å; L86-W88 VanDerWaalsContact C-N 3.31Å; L86-W88 PolarHBondContact O-N 3.4Å; L86-L89 PolarHBondContact O-N 3Å; L86-L90 HydrophobicContact CD1-CD1 3.64Å; L86-L90 HydrophobicContact CG-CD1 4.09Å; L86-L90 WeakPolarHBondContact O-CD1 3.25Å; L86-L90 PolarHBondContact O-N 2.95Å |
| 87 | V | 91.8 | Very high | 91 | Very high | 24 Ų | 24 | 83.3 Ų | 83.3 | 15% | 0.145 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | M46 F83 R91 | M46-V87 HydrophobicContact CE-CG1 4.47Å; F83-V87 HydrophobicContact CD1-CG2 4.11Å; F83-V87 HydrophobicContact CE1-CG2 3.71Å; F83-V87 HydrophobicContact CE2-CG2 4.35Å; F83-V87 HydrophobicContact CZ-CG2 3.86Å; F83-V87 WeakPolarHBondContact O-CG2 3.08Å; F83-V87 PolarHBondContact O-N 3.32Å; V87-R91 VanDerWaalsContact O-CB 3.3Å; V87-R91 WeakPolarHBondContact O-CB 3.46Å; V87-R91 PolarHBondContact O-N 3.42Å |
| 88 | W | 92.4 | Very high | 90.9 | Very high | 157 Ų | 157 | 81.3 Ų | 81.3 | 60% | 0.595 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66 | -43 | 174 | 179.8 | 93 | 0 | 0 | 0 | 112.1 | P84 A85 L86 R91 K92 | P84-W88 VanDerWaalsContact O-CB 3.31Å; P84-W88 WeakPolarHBondContact O-CB 3.34Å; P84-W88 PolarHBondContact O-N 3.08Å; A85-W88 PolarHBondContact O-N 3.12Å; L86-W88 VanDerWaalsContact C-N 3.31Å; L86-W88 PolarHBondContact O-N 3.4Å; W88-R91 PolarHBondContact O-N 3.23Å; W88-K92 WeakPolarHBondContact O-CB 3.17Å; W88-K92 PolarHBondContact O-N 3.27Å |
| 89 | L | 93.9 | Very high | 90.8 | Very high | 98 Ų | 98 | 78.3 Ų | 78.3 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.9 | -74.6 | 171.8 | 0 | 0 | 0 | 111.7 | A85 L86 R91 K92 A93 | A85-L89 WeakPolarHBondContact O-CG 3.42Å; A85-L89 PolarHBondContact O-N 2.87Å; L86-L89 PolarHBondContact O-N 3Å; L89-R91 PolarHBondContact O-N 2.99Å; L89-K92 PolarHBondContact O-N 3.38Å; L89-A93 WeakPolarHBondContact O-CB 3.19Å; L89-A93 PolarHBondContact O-N 2.86Å |
| 90 | L | 91.5 | Very high | 90.9 | Very high | 87 Ų | 87 | 80.5 Ų | 80.5 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 175 | -95.9 | 65.5 | 0 | 0 | 0 | 111.1 | M46 L86 K92 A93 L94 | M46-L90 HydrophobicContact SD-CB 4.35Å; L86-L90 HydrophobicContact CD1-CD1 3.64Å; L86-L90 HydrophobicContact CG-CD1 4.09Å; L86-L90 WeakPolarHBondContact O-CD1 3.25Å; L86-L90 PolarHBondContact O-N 2.95Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.43Å; L90-A93 PolarHBondContact O-N 3.32Å; L90-L94 WeakPolarHBondContact O-CB 3.39Å; L90-L94 VanDerWaalsContact O-CG 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 3.42Å |
| 91 | R | 90.8 | Very high | 90.9 | Very high | 114 Ų | 114 | 82.9 Ų | 82.9 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 175.1 | -173.2 | 179.2 | 174.1 | -133.8 | -1.2 | 111.7 | V43 M46 V87 W88 L89 V95 | V43-R91 HydrophobicContact CG1-CG 4.37Å; M46-R91 HydrophobicContact CE-CB 3.72Å; M46-R91 HydrophobicContact CE-CG 4.3Å; V87-R91 VanDerWaalsContact O-CB 3.3Å; V87-R91 WeakPolarHBondContact O-CB 3.46Å; V87-R91 PolarHBondContact O-N 3.42Å; W88-R91 PolarHBondContact O-N 3.23Å; L89-R91 PolarHBondContact O-N 2.99Å; R91-V95 WeakPolarHBondContact O-CB 3.46Å; R91-V95 VanDerWaalsContact O-CG2 3.25Å; R91-V95 WeakPolarHBondContact O-CG2 3.42Å; R91-V95 PolarHBondContact O-N 3.34Å |
| 92 | K | 92.6 | Very high | 90.7 | Very high | 120 Ų | 120 | 81.2 Ų | 81.2 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | -179.2 | -173.1 | 66.4 | 175.3 | -177.8 | 0 | 111.1 | W88 L89 L90 V95 V96 | W88-K92 WeakPolarHBondContact O-CB 3.17Å; W88-K92 PolarHBondContact O-N 3.27Å; L89-K92 PolarHBondContact O-N 3.38Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.43Å; K92-V95 PolarHBondContact O-N 2.89Å; K92-V96 HydrophobicContact CD-CG2 4.44Å; K92-V96 WeakPolarHBondContact O-CB 3.39Å; K92-V96 VanDerWaalsContact O-CG2 3.28Å; K92-V96 WeakPolarHBondContact O-CG2 3.14Å; K92-V96 PolarHBondContact O-N 2.85Å |
| 93 | A | 92.3 | Very high | 90.7 | Very high | 49 Ų | 49 | 84.2 Ų | 84.2 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L89 L90 V95 V96 I97 | L89-A93 WeakPolarHBondContact O-CB 3.19Å; L89-A93 PolarHBondContact O-N 2.86Å; L90-A93 PolarHBondContact O-N 3.32Å; A93-V95 PolarHBondContact O-N 3.45Å; A93-V96 PolarHBondContact O-N 3.38Å; A93-I97 WeakPolarHBondContact O-CB 3.28Å; A93-I97 WeakPolarHBondContact O-CD1 3.32Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.4Å; A93-I97 PolarHBondContact O-N 2.93Å |
| 94 | L | 89.6 | Confident | 90.7 | Very high | 55 Ų | 55 | 90 Ų | 90 | 29% | 0.288 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.3 | -51.9 | 175.4 | -71.2 | 167.2 | 0 | 0 | 0 | 111.1 | M46 L90 V96 I97 F98 | M46-L94 HydrophobicContact CE-CD1 4.46Å; M46-L94 HydrophobicContact SD-CD1 3.55Å; M46-L94 VanDerWaalsContact SD-CD1 3.55Å; L90-L94 WeakPolarHBondContact O-CB 3.39Å; L90-L94 VanDerWaalsContact O-CG 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 3.42Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.48Å; L94-I97 PolarHBondContact O-N 2.74Å; L94-F98 HydrophobicContact CB-CD2 4.41Å; L94-F98 HydrophobicContact CD2-CE2 4.02Å; L94-F98 WeakPolarHBondContact O-CB 3.38Å; L94-F98 WeakPolarHBondContact O-CD2 3.46Å; L94-F98 PolarHBondContact O-N 2.96Å |
| 95 | V | 89.6 | Confident | 90.7 | Very high | 59 Ų | 59 | 89.8 Ų | 89.8 | 36% | 0.358 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | -179.6 | 169.2 | 0 | 0 | 0 | 0 | 112 | V43 R91 K92 A93 S99 | V43-V95 HydrophobicContact CG2-CG2 4.4Å; R91-V95 WeakPolarHBondContact O-CB 3.46Å; R91-V95 VanDerWaalsContact O-CG2 3.25Å; R91-V95 WeakPolarHBondContact O-CG2 3.42Å; R91-V95 PolarHBondContact O-N 3.34Å; K92-V95 PolarHBondContact O-N 2.89Å; A93-V95 PolarHBondContact O-N 3.45Å; V95-S99 VanDerWaalsContact O-CB 3.25Å; V95-S99 WeakPolarHBondContact O-CB 3.27Å; V95-S99 PolarHBondContact O-N 3.07Å; V95-S99 PolarHBondContact O-OG 2.76Å |
| 96 | V | 92.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 35% | 0.345 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.2 | -40.3 | 179 | 170.6 | 0 | 0 | 0 | 0 | 112.5 | K92 A93 L94 S99 R100 | K92-V96 HydrophobicContact CD-CG2 4.44Å; K92-V96 WeakPolarHBondContact O-CB 3.39Å; K92-V96 VanDerWaalsContact O-CG2 3.28Å; K92-V96 WeakPolarHBondContact O-CG2 3.14Å; K92-V96 PolarHBondContact O-N 2.85Å; A93-V96 PolarHBondContact O-N 3.38Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.48Å; V96-S99 PolarHBondContact O-N 2.86Å; V96-S99 PolarHBondContact O-OG 3.28Å; V96-R100 HydrophobicContact CG1-CG 4.48Å; V96-R100 WeakPolarHBondContact O-CB 3.41Å; V96-R100 WeakPolarHBondContact O-CG 3.31Å; V96-R100 PolarHBondContact O-N 2.99Å |
| 97 | I | 90 | Very high | 90.7 | Very high | 109 Ų | 109 | 91.5 Ų | 91.5 | 56% | 0.559 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.9 | -45.2 | 176.5 | -69.9 | 164.7 | 0 | 0 | 0 | 109.9 | A93 L94 R101 | A93-I97 WeakPolarHBondContact O-CB 3.28Å; A93-I97 WeakPolarHBondContact O-CD1 3.32Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.4Å; A93-I97 PolarHBondContact O-N 2.93Å; L94-I97 PolarHBondContact O-N 2.74Å; I97-R101 VanDerWaalsContact O-CB 3.31Å; I97-R101 WeakPolarHBondContact O-CB 3.26Å; I97-R101 PolarHBondContact O-N 2.91Å; I97-R101 VanDerWaalsContact O-N 3.1Å |
| 98 | F | 86.2 | Confident | 90.7 | Very high | 59 Ų | 59 | 95.8 Ų | 95.8 | 26% | 0.259 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 176.5 | -75.8 | -64.3 | 0 | 0 | 0 | 112.5 | Y35 L39 L94 R101 T102 | Y35-F98 HydrophobicContact CD1-CD1 4.34Å; Y35-F98 HydrophobicContact CD1-CE1 4.44Å; Y35-F98 HydrophobicContact CE1-CD1 4.31Å; Y35-F98 HydrophobicContact CE1-CE1 4.11Å; L39-F98 HydrophobicContact CD1-CB 4.01Å; L39-F98 HydrophobicContact CD1-CD2 3.58Å; L39-F98 HydrophobicContact CD1-CE2 4.3Å; L39-F98 HydrophobicContact CD1-CG 3.92Å; L39-F98 HydrophobicContact CD2-CB 4.34Å; L94-F98 HydrophobicContact CB-CD2 4.41Å; L94-F98 HydrophobicContact CD2-CE2 4.02Å; L94-F98 WeakPolarHBondContact O-CB 3.38Å; L94-F98 WeakPolarHBondContact O-CD2 3.46Å; L94-F98 PolarHBondContact O-N 2.96Å; F98-R101 PolarHBondContact O-N 2.72Å; F98-T102 PolarHBondContact O-N 2.97Å; F98-T102 PolarHBondContact O-OG1 2.72Å |
| 99 | S | 87.9 | Confident | 90.8 | Very high | 59 Ų | 59 | 89.1 Ų | 89.1 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 177.4 | 72.8 | 0 | 0 | 0 | 0 | 111.7 | V95 V96 R101 T102 E103 | V95-S99 VanDerWaalsContact O-CB 3.25Å; V95-S99 WeakPolarHBondContact O-CB 3.27Å; V95-S99 PolarHBondContact O-N 3.07Å; V95-S99 PolarHBondContact O-OG 2.76Å; V96-S99 PolarHBondContact O-N 2.86Å; V96-S99 PolarHBondContact O-OG 3.28Å; S99-R101 PolarHBondContact O-N 2.77Å; S99-T102 PolarHBondContact O-N 2.73Å; S99-T102 VanDerWaalsContact O-N 3.11Å; S99-E103 VanDerWaalsContact O-CB 3.28Å; S99-E103 WeakPolarHBondContact O-CB 3.33Å; S99-E103 PolarHBondContact O-N 3.34Å |
| 100 | R | 91.9 | Very high | 90.8 | Very high | 164 Ų | 164 | 89.9 Ų | 89.9 | 62% | 0.619 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.5 | -25.5 | 176.8 | -64.7 | -179.5 | 94.5 | 177 | 8.2 | 112.8 | V96 R104 | V96-R100 HydrophobicContact CG1-CG 4.48Å; V96-R100 WeakPolarHBondContact O-CB 3.41Å; V96-R100 WeakPolarHBondContact O-CG 3.31Å; V96-R100 PolarHBondContact O-N 2.99Å; R100-R104 WeakPolarHBondContact O-CB 3.32Å; R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 3.46Å |
| 101 | R | 87.6 | Confident | 91 | Very high | 141 Ų | 141 | 90.4 Ų | 90.4 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -79 | -34.8 | 172.8 | -171.8 | 172.7 | -177.9 | 136.8 | 2 | 112.7 | I97 F98 S99 N105 | I97-R101 VanDerWaalsContact O-CB 3.31Å; I97-R101 WeakPolarHBondContact O-CB 3.26Å; I97-R101 PolarHBondContact O-N 2.91Å; I97-R101 VanDerWaalsContact O-N 3.1Å; F98-R101 PolarHBondContact O-N 2.72Å; S99-R101 PolarHBondContact O-N 2.77Å; R101-N105 PolarHBondContact O-N 2.82Å |
| 102 | T | 87.4 | Confident | 91.2 | Very high | 55 Ų | 55 | 86.1 Ų | 86.1 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.4 | -43.7 | 172.4 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | F98 S99 N105 N106 | F98-T102 PolarHBondContact O-N 2.97Å; F98-T102 PolarHBondContact O-OG1 2.72Å; S99-T102 PolarHBondContact O-N 2.73Å; S99-T102 VanDerWaalsContact O-N 3.11Å; T102-N105 CarbonylContact O-C 3.52Å; T102-N105 PolarHBondContact O-N 3.36Å; T102-N105 VanDerWaalsContact O-N 3.07Å; T102-N106 PolarHBondContact O-N 2.84Å |
| 103 | E | 90.8 | Very high | 91.3 | Very high | 110 Ų | 110 | 83.5 Ų | 83.5 | 51% | 0.514 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -52.6 | -56.7 | 174.4 | -172.9 | 168.3 | -128.1 | 0 | 0 | 110.9 | S99 N105 N106 E107 | S99-E103 VanDerWaalsContact O-CB 3.28Å; S99-E103 WeakPolarHBondContact O-CB 3.33Å; S99-E103 PolarHBondContact O-N 3.34Å; E103-N105 PolarHBondContact O-N 2.98Å; E103-N105 VanDerWaalsContact O-N 3.1Å; E103-N106 WeakPolarHBondContact O-CA 3.17Å; E103-N106 WeakPolarHBondContact O-CB 3.49Å; E103-N106 PolarHBondContact O-N 2.99Å; E103-E107 WeakPolarHBondContact O-CG 3.38Å; E103-E107 PolarHBondContact O-N 2.96Å |
| 104 | R | 90.1 | Very high | 91.4 | Very high | 171 Ų | 171 | 84.3 Ų | 84.3 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.3 | -15.5 | 174.6 | -76.1 | 177.1 | 166.2 | -179.1 | -4.7 | 116.6 | R100 E107 K108 | R100-R104 WeakPolarHBondContact O-CB 3.32Å; R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 3.46Å; R104-E107 WeakPolarHBondContact CA-OE2 3.28Å; R104-K108 WeakPolarHBondContact O-CD 3.41Å; R104-K108 WeakPolarHBondContact O-CG 3.25Å |
| 105 | N | 89.8 | Confident | 91.6 | Very high | 55 Ų | 55 | 86.7 Ų | 86.7 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -92.7 | -27.4 | 171.9 | -79.3 | 3.7 | 0 | 0 | 0 | 111.6 | L28 R101 T102 E103 L109 | L28-N105 HydrophobicContact CD2-CB 4.45Å; R101-N105 PolarHBondContact O-N 2.82Å; T102-N105 CarbonylContact O-C 3.52Å; T102-N105 PolarHBondContact O-N 3.36Å; T102-N105 VanDerWaalsContact O-N 3.07Å; E103-N105 PolarHBondContact O-N 2.98Å; E103-N105 VanDerWaalsContact O-N 3.1Å; N105-L109 WeakPolarHBondContact O-CB 3.42Å; N105-L109 PolarHBondContact O-N 2.79Å; N105-L109 VanDerWaalsContact O-N 3.12Å |
| 106 | N | 91.2 | Very high | 91.7 | Very high | 74 Ų | 74 | 84.8 Ų | 84.8 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -74.5 | -40.9 | 173.8 | -167.1 | 76.7 | 0 | 0 | 0 | 111.5 | T102 E103 K108 L109 E110 | T102-N106 PolarHBondContact O-N 2.84Å; E103-N106 WeakPolarHBondContact O-CA 3.17Å; E103-N106 WeakPolarHBondContact O-CB 3.49Å; E103-N106 PolarHBondContact O-N 2.99Å; N106-K108 VanDerWaalsContact C-N 3.33Å; N106-K108 PolarHBondContact O-N 2.87Å; N106-L109 WeakPolarHBondContact O-CB 3.4Å; N106-L109 PolarHBondContact O-N 3.31Å; N106-L109 VanDerWaalsContact O-N 3.08Å; N106-E110 PolarHBondContact ND2-OE1 3.29Å; N106-E110 PolarHBondContact O-N 3.36Å |
| 107 | E | 94.1 | Very high | 91.7 | Very high | 104 Ų | 104 | 88.8 Ų | 88.8 | 49% | 0.486 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -49.2 | -54.6 | 170.1 | -69.9 | 168.7 | 167.7 | 0 | 0 | 110.5 | E103 R104 L109 E110 D111 | E103-E107 WeakPolarHBondContact O-CG 3.38Å; E103-E107 PolarHBondContact O-N 2.96Å; R104-E107 WeakPolarHBondContact CA-OE2 3.28Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 PolarHBondContact O-N 3.49Å; E107-E110 PolarHBondContact O-N 3.28Å; E107-E110 VanDerWaalsContact O-N 3.11Å; E107-D111 PolarHBondContact O-N 3.27Å |
| 108 | K | 93 | Very high | 91.9 | Very high | 115 Ų | 115 | 88.9 Ų | 88.9 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.8 | -34.6 | 177.1 | -67 | 174.7 | -176.6 | -178 | 0 | 114.1 | R104 N106 E110 L112 | R104-K108 WeakPolarHBondContact O-CD 3.41Å; R104-K108 WeakPolarHBondContact O-CG 3.25Å; N106-K108 VanDerWaalsContact C-N 3.33Å; N106-K108 PolarHBondContact O-N 2.87Å; K108-E110 VanDerWaalsContact C-N 3.32Å; K108-L112 WeakPolarHBondContact O-CB 3.48Å; K108-L112 WeakPolarHBondContact O-CD1 3.49Å; K108-L112 VanDerWaalsContact O-CG 3.25Å; K108-L112 WeakPolarHBondContact O-CG 3.47Å; K108-L112 PolarHBondContact O-N 3.11Å |
| 109 | L | 94.6 | Very high | 92.1 | Very high | 17 Ų | 17 | 87.5 Ų | 87.5 | 9% | 0.089 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 177.1 | 178.5 | 62.6 | 0 | 0 | 0 | 111 | I25 L28 E29 N105 N106 E107 K113 | I25-L109 HydrophobicContact CB-CD1 4.28Å; I25-L109 HydrophobicContact CG1-CD1 4.38Å; I25-L109 HydrophobicContact CG2-CD1 3.9Å; L28-L109 HydrophobicContact CB-CD1 4.06Å; E29-L109 HydrophobicContact CG-CD1 3.85Å; E29-L109 HydrophobicContact CG-CD2 3.72Å; E29-L109 HydrophobicContact CG-CG 4.44Å; N105-L109 WeakPolarHBondContact O-CB 3.42Å; N105-L109 PolarHBondContact O-N 2.79Å; N105-L109 VanDerWaalsContact O-N 3.12Å; N106-L109 WeakPolarHBondContact O-CB 3.4Å; N106-L109 PolarHBondContact O-N 3.31Å; N106-L109 VanDerWaalsContact O-N 3.08Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 PolarHBondContact O-N 3.49Å; L109-K113 HydrophobicContact CD1-CD 4.41Å; L109-K113 HydrophobicContact CG-CD 4.3Å; L109-K113 WeakPolarHBondContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CD 3.5Å; L109-K113 WeakPolarHBondContact O-CG 3.46Å; L109-K113 PolarHBondContact O-N 3.07Å; L109-K113 VanDerWaalsContact O-N 3.17Å |
| 110 | E | 94.4 | Very high | 92.3 | Very high | 114 Ų | 114 | 85.6 Ų | 85.6 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73 | -41.3 | 174 | -71.2 | 176.9 | -170.3 | 0 | 0 | 111.4 | N106 E107 K108 L112 K113 E114 | N106-E110 PolarHBondContact ND2-OE1 3.29Å; N106-E110 PolarHBondContact O-N 3.36Å; E107-E110 PolarHBondContact O-N 3.28Å; E107-E110 VanDerWaalsContact O-N 3.11Å; K108-E110 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 3.08Å; E110-K113 PolarHBondContact O-N 2.84Å; E110-E114 VanDerWaalsContact O-CB 3.3Å; E110-E114 WeakPolarHBondContact O-CB 3.48Å; E110-E114 PolarHBondContact O-N 2.91Å |
| 111 | D | 95.6 | Very high | 92.2 | Very high | 97 Ų | 97 | 83 Ų | 83 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.4 | -48.3 | 172.1 | -73.2 | -34.8 | 0 | 0 | 0 | 112.3 | E107 K113 E114 Q115 | E107-D111 PolarHBondContact O-N 3.27Å; D111-K113 PolarHBondContact O-N 3.29Å; D111-E114 WeakPolarHBondContact O-CB 3.43Å; D111-E114 PolarHBondContact O-N 3.09Å; D111-Q115 WeakPolarHBondContact O-CG 3.35Å; D111-Q115 PolarHBondContact O-N 2.84Å |
| 112 | L | 94.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 81.6 Ų | 81.6 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67 | -36.2 | 179.5 | -70.4 | 166.2 | 0 | 0 | 0 | 112 | L21 E24 I25 L28 K108 E110 E114 K116 | L21-L112 HydrophobicContact CD2-CD2 3.5Å; L21-L112 VanDerWaalsContact CD2-CD2 3.5Å; E24-L112 HydrophobicContact CB-CD1 4.22Å; I25-L112 HydrophobicContact CD1-CB 4.3Å; I25-L112 HydrophobicContact CG1-CB 3.78Å; L28-L112 HydrophobicContact CD1-CD1 3.45Å; L28-L112 VanDerWaalsContact CD1-CD1 3.45Å; K108-L112 WeakPolarHBondContact O-CB 3.48Å; K108-L112 WeakPolarHBondContact O-CD1 3.49Å; K108-L112 VanDerWaalsContact O-CG 3.25Å; K108-L112 WeakPolarHBondContact O-CG 3.47Å; K108-L112 PolarHBondContact O-N 3.11Å; E110-L112 PolarHBondContact O-N 3.08Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-K116 WeakPolarHBondContact O-CB 3.38Å; L112-K116 PolarHBondContact O-N 3.42Å |
| 113 | K | 93.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 79 Ų | 79 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 173.2 | -75.8 | 168.4 | -178.2 | 173.8 | 0 | 111.9 | I25 E29 L109 E110 D111 K116 R117 | I25-K113 HydrophobicContact CD1-CG 3.86Å; I25-K113 HydrophobicContact CG1-CG 4.2Å; I25-K113 HydrophobicContact CG2-CG 4.44Å; E29-K113 VanDerWaalsContact OE1-CE 3.27Å; E29-K113 WeakPolarHBondContact OE1-CE 3.17Å; E29-K113 IonicContact OE1-NZ 2.91Å; E29-K113 PolarHBondContact OE1-NZ 2.85Å; L109-K113 HydrophobicContact CD1-CD 4.41Å; L109-K113 HydrophobicContact CG-CD 4.3Å; L109-K113 WeakPolarHBondContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CD 3.5Å; L109-K113 WeakPolarHBondContact O-CG 3.46Å; L109-K113 PolarHBondContact O-N 3.07Å; L109-K113 VanDerWaalsContact O-N 3.17Å; E110-K113 PolarHBondContact O-N 2.84Å; D111-K113 PolarHBondContact O-N 3.29Å; K113-K116 PolarHBondContact O-N 3.03Å; K113-R117 WeakPolarHBondContact O-CG 3.38Å; K113-R117 PolarHBondContact O-N 3.19Å |
| 114 | E | 95 | Very high | 92.3 | Very high | 67 Ų | 67 | 79.3 Ų | 79.3 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 175.2 | 179.5 | 68.1 | 175.5 | 0 | 0 | 112 | E110 D111 L112 R117 K118 | E110-E114 VanDerWaalsContact O-CB 3.3Å; E110-E114 WeakPolarHBondContact O-CB 3.48Å; E110-E114 PolarHBondContact O-N 2.91Å; D111-E114 WeakPolarHBondContact O-CB 3.43Å; D111-E114 PolarHBondContact O-N 3.09Å; L112-E114 VanDerWaalsContact C-N 3.35Å; E114-R117 PolarHBondContact O-N 3.13Å; E114-R117 IonicContact OE2-CZ 4Å; E114-R117 IonicContact OE2-NE 3.21Å; E114-R117 PolarHBondContact OE2-NE 2.95Å; E114-R117 IonicContact OE2-NH2 2.67Å; E114-R117 PolarHBondContact OE2-NH2 3.44Å; E114-K118 HydrophobicContact CG-CD 4.36Å; E114-K118 WeakPolarHBondContact O-CG 3.42Å; E114-K118 PolarHBondContact O-N 3.21Å; E114-K118 WeakPolarHBondContact OE1-CE 3.26Å; E114-K118 IonicContact OE1-NZ 3Å; E114-K118 PolarHBondContact OE1-NZ 3.03Å |
| 115 | Q | 93.1 | Very high | 92.3 | Very high | 104 Ų | 104 | 78.7 Ų | 78.7 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 171.2 | -73.1 | 178.4 | 0.8 | 0 | 0 | 111.5 | L21 D111 R117 K118 I119 | L21-Q115 HydrophobicContact CD1-CB 4.27Å; D111-Q115 WeakPolarHBondContact O-CG 3.35Å; D111-Q115 PolarHBondContact O-N 2.84Å; Q115-R117 VanDerWaalsContact C-N 3.35Å; Q115-R117 PolarHBondContact O-N 3.06Å; Q115-K118 PolarHBondContact O-N 3.48Å; Q115-I119 WeakPolarHBondContact O-CG1 3.44Å; Q115-I119 PolarHBondContact O-N 3.01Å |
| 116 | K | 92.6 | Very high | 92.3 | Very high | 19 Ų | 19 | 80.7 Ų | 80.7 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.6 | -169.5 | -171.8 | 171.3 | -163.7 | 0 | 111.9 | L18 L21 E22 I25 L112 K113 L120 F139 | L18-K116 HydrophobicContact CD2-CG 3.78Å; L21-K116 HydrophobicContact CD1-CB 4.23Å; E22-K116 IonicContact OE1-NZ 2.74Å; E22-K116 PolarHBondContact OE1-NZ 3.42Å; E22-K116 IonicContact OE2-NZ 2.7Å; I25-K116 HydrophobicContact CD1-CB 4.33Å; I25-K116 HydrophobicContact CD1-CD 4.06Å; L112-K116 WeakPolarHBondContact O-CB 3.38Å; L112-K116 PolarHBondContact O-N 3.42Å; K113-K116 PolarHBondContact O-N 3.03Å; K116-L120 HydrophobicContact CG-CD1 4.25Å; K116-L120 WeakPolarHBondContact O-CD1 3.44Å; K116-L120 WeakPolarHBondContact O-CG 3.36Å; K116-L120 PolarHBondContact O-N 2.97Å; K116-L120 VanDerWaalsContact O-N 3.14Å; K116-F139 VanDerWaalsContact CE-O 3.27Å; K116-F139 WeakPolarHBondContact CE-O 3.32Å; K116-F139 PolarHBondContact NZ-O 3.38Å |
| 117 | R | 91.8 | Very high | 92.1 | Very high | 141 Ų | 141 | 79.1 Ų | 79.1 | 53% | 0.532 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 173.8 | -79 | -171.4 | -70.5 | -104.2 | 3.7 | 111.8 | K113 E114 Q115 I119 L120 E121 | K113-R117 WeakPolarHBondContact O-CG 3.38Å; K113-R117 PolarHBondContact O-N 3.19Å; E114-R117 PolarHBondContact O-N 3.13Å; E114-R117 IonicContact OE2-CZ 4Å; E114-R117 IonicContact OE2-NE 3.21Å; E114-R117 PolarHBondContact OE2-NE 2.95Å; E114-R117 IonicContact OE2-NH2 2.67Å; E114-R117 PolarHBondContact OE2-NH2 3.44Å; Q115-R117 VanDerWaalsContact C-N 3.35Å; Q115-R117 PolarHBondContact O-N 3.06Å; R117-I119 VanDerWaalsContact C-N 3.35Å; R117-I119 PolarHBondContact O-N 2.87Å; R117-L120 WeakPolarHBondContact O-CB 3.31Å; R117-L120 PolarHBondContact O-N 3.38Å; R117-L120 VanDerWaalsContact O-N 3.12Å; R117-E121 PolarHBondContact O-N 2.92Å |
| 118 | K | 94.6 | Very high | 91.9 | Very high | 111 Ų | 111 | 79.3 Ų | 79.3 | 48% | 0.483 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | -178.1 | -75.2 | 167.3 | -179.9 | 158.5 | 0 | 113.1 | E114 Q115 E121 E122 | E114-K118 HydrophobicContact CG-CD 4.36Å; E114-K118 WeakPolarHBondContact O-CG 3.42Å; E114-K118 PolarHBondContact O-N 3.21Å; E114-K118 WeakPolarHBondContact OE1-CE 3.26Å; E114-K118 IonicContact OE1-NZ 3Å; E114-K118 PolarHBondContact OE1-NZ 3.03Å; Q115-K118 PolarHBondContact O-N 3.48Å; K118-E121 PolarHBondContact O-N 2.61Å; K118-E122 WeakPolarHBondContact O-CB 3.28Å; K118-E122 PolarHBondContact O-N 3.21Å |
| 119 | I | 91.5 | Very high | 91.6 | Very high | 30 Ų | 30 | 82.9 Ų | 82.9 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.4 | -34.1 | 175.4 | -63 | 166.7 | 0 | 0 | 0 | 111.4 | T17 L18 L21 Q115 R117 E121 V123 | T17-I119 HydrophobicContact CG2-CD1 3.89Å; L18-I119 HydrophobicContact CD1-CG2 4.12Å; L18-I119 HydrophobicContact CD2-CB 3.99Å; L18-I119 HydrophobicContact CD2-CG2 3.8Å; L18-I119 HydrophobicContact CG-CG2 3.81Å; L21-I119 HydrophobicContact CD1-CD1 3.7Å; Q115-I119 WeakPolarHBondContact O-CG1 3.44Å; Q115-I119 PolarHBondContact O-N 3.01Å; R117-I119 VanDerWaalsContact C-N 3.35Å; R117-I119 PolarHBondContact O-N 2.87Å; I119-E121 VanDerWaalsContact C-N 3.34Å; I119-V123 HydrophobicContact CG2-CG2 4.48Å; I119-V123 WeakPolarHBondContact O-CB 3.49Å; I119-V123 VanDerWaalsContact O-CG2 3.23Å; I119-V123 WeakPolarHBondContact O-CG2 3.23Å; I119-V123 PolarHBondContact O-N 3.47Å |
| 120 | L | 90.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 90.2 Ų | 90.2 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 173.4 | -73.1 | 163.9 | 0 | 0 | 0 | 112.3 | L18 K116 R117 M124 I135 L136 F139 | L18-L120 HydrophobicContact CD1-CD2 4.27Å; L18-L120 HydrophobicContact CD2-CG 4.21Å; K116-L120 HydrophobicContact CG-CD1 4.25Å; K116-L120 WeakPolarHBondContact O-CD1 3.44Å; K116-L120 WeakPolarHBondContact O-CG 3.36Å; K116-L120 PolarHBondContact O-N 2.97Å; K116-L120 VanDerWaalsContact O-N 3.14Å; R117-L120 WeakPolarHBondContact O-CB 3.31Å; R117-L120 PolarHBondContact O-N 3.38Å; R117-L120 VanDerWaalsContact O-N 3.12Å; L120-M124 WeakPolarHBondContact O-CB 3.16Å; L120-M124 PolarHBondContact O-N 3.39Å; L120-M124 VanDerWaalsContact O-N 3.13Å; L120-I135 HydrophobicContact CD2-CG2 4.43Å; L120-L136 HydrophobicContact CD2-CD2 4.21Å; L120-F139 HydrophobicContact CD2-CB 3.95Å |
| 121 | E | 90 | Very high | 90.8 | Very high | 109 Ų | 109 | 87.9 Ų | 87.9 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.7 | -48.6 | 174.5 | -168.2 | 164.3 | -138.8 | 0 | 0 | 111.2 | R117 K118 I119 V123 M124 E125 | R117-E121 PolarHBondContact O-N 2.92Å; K118-E121 PolarHBondContact O-N 2.61Å; I119-E121 VanDerWaalsContact C-N 3.34Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 2.56Å; E121-M124 WeakPolarHBondContact O-CA 3.36Å; E121-M124 WeakPolarHBondContact O-CB 3.35Å; E121-M124 PolarHBondContact O-N 3.12Å; E121-E125 PolarHBondContact O-N 3.19Å |
| 122 | E | 91.6 | Very high | 90.4 | Very high | 112 Ų | 112 | 83.6 Ų | 83.6 | 52% | 0.523 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.4 | -42.4 | 173.8 | -176.4 | 179.9 | -172.3 | 0 | 0 | 112 | K118 M124 E125 T126 | K118-E122 WeakPolarHBondContact O-CB 3.28Å; K118-E122 PolarHBondContact O-N 3.21Å; E122-M124 VanDerWaalsContact C-N 3.34Å; E122-M124 PolarHBondContact O-N 3.34Å; E122-E125 PolarHBondContact O-N 3.29Å; E122-T126 HydrophobicContact CG-CG2 4.24Å; E122-T126 WeakPolarHBondContact O-CB 3.25Å; E122-T126 WeakPolarHBondContact O-CG2 3.4Å; E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.01Å |
| 123 | V | 89.6 | Confident | 90 | Very high | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 175 | 163.7 | 0 | 0 | 0 | 0 | 112.1 | T14 I119 E121 E127 A132 I135 | T14-V123 HydrophobicContact CG2-CG2 4.01Å; I119-V123 HydrophobicContact CG2-CG2 4.48Å; I119-V123 WeakPolarHBondContact O-CB 3.49Å; I119-V123 VanDerWaalsContact O-CG2 3.23Å; I119-V123 WeakPolarHBondContact O-CG2 3.23Å; I119-V123 PolarHBondContact O-N 3.47Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 2.56Å; V123-E127 HydrophobicContact CG1-CB 4.3Å; V123-E127 HydrophobicContact CG1-CG 4.23Å; V123-E127 HydrophobicContact CG2-CG 4.48Å; V123-E127 WeakPolarHBondContact O-CB 3.41Å; V123-E127 PolarHBondContact O-N 3.28Å; V123-E127 VanDerWaalsContact O-N 3.07Å; V123-A132 HydrophobicContact CG1-CB 4.16Å; V123-I135 HydrophobicContact CG1-CB 3.98Å; V123-I135 HydrophobicContact CG1-CD1 3.82Å; V123-I135 HydrophobicContact CG1-CG1 4.48Å; V123-I135 HydrophobicContact CG1-CG2 3.97Å; V123-I135 HydrophobicContact CG2-CD1 4.34Å; V123-I135 HydrophobicContact CG2-CG2 4.48Å |
| 124 | M | 86.6 | Confident | 89.7 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.9 | -31.9 | 178 | -174.8 | 176.7 | 64.3 | 0 | 0 | 112.5 | L120 E121 E122 | L120-M124 WeakPolarHBondContact O-CB 3.16Å; L120-M124 PolarHBondContact O-N 3.39Å; L120-M124 VanDerWaalsContact O-N 3.13Å; E121-M124 WeakPolarHBondContact O-CA 3.36Å; E121-M124 WeakPolarHBondContact O-CB 3.35Å; E121-M124 PolarHBondContact O-N 3.12Å; E122-M124 VanDerWaalsContact C-N 3.34Å; E122-M124 PolarHBondContact O-N 3.34Å |
| 125 | E | 90.6 | Very high | 89.2 | Confident | 157 Ų | 157 | 86.1 Ų | 86.1 | 73% | 0.734 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -83.3 | -36.7 | 176.6 | -66.2 | -167.9 | 150.6 | 0 | 0 | 113.6 | E121 E122 | E121-E125 PolarHBondContact O-N 3.19Å; E122-E125 PolarHBondContact O-N 3.29Å |
| 126 | T | 89.3 | Confident | 88.9 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -104.1 | -28.4 | -167.6 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | E122 | E122-T126 HydrophobicContact CG-CG2 4.24Å; E122-T126 WeakPolarHBondContact O-CB 3.25Å; E122-T126 WeakPolarHBondContact O-CG2 3.4Å; E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.01Å |
| 127 | E | 87.1 | Confident | 88.5 | Confident | 42 Ų | 42 | 85.6 Ų | 85.6 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -92.9 | 151.9 | -176.8 | -63.2 | -161 | -162.4 | 0 | 0 | 112.9 | T14 V123 N131 A132 I135 | T14-E127 PolarHBondContact OG1-OE1 2.98Å; V123-E127 HydrophobicContact CG1-CB 4.3Å; V123-E127 HydrophobicContact CG1-CG 4.23Å; V123-E127 HydrophobicContact CG2-CG 4.48Å; V123-E127 WeakPolarHBondContact O-CB 3.41Å; V123-E127 PolarHBondContact O-N 3.28Å; V123-E127 VanDerWaalsContact O-N 3.07Å; E127-N131 WeakPolarHBondContact OE2-CB 3.35Å; E127-N131 PolarHBondContact OE2-ND2 3.41Å; E127-A132 HydrophobicContact CB-CB 4.28Å; E127-I135 WeakPolarHBondContact OE1-CD1 3.31Å; E127-I135 VanDerWaalsContact OE2-CD1 3.25Å; E127-I135 WeakPolarHBondContact OE2-CD1 3.41Å |
| 128 | T | 89.3 | Confident | 88.1 | Confident | 108 Ų | 108 | 87.2 Ų | 87.2 | 66% | 0.663 | 41% | 0.41 | S | S | * | . | trans | -61 | 143.3 | 177.5 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | K130 N131 A132 | T128-K130 PolarHBondContact O-N 2.82Å; T128-N131 PolarHBondContact O-N 3.26Å; T128-A132 PolarHBondContact O-N 2.9Å | ||
| 129 | Y | 88.1 | Confident | 87.7 | Confident | 189 Ų | 189 | 82.3 Ų | 82.3 | 74% | 0.741 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -44.1 | -38 | -177.1 | 175.1 | -101.2 | 0 | 0 | 0 | 114.9 | K133 | Y129-K133 WeakPolarHBondContact O-CB 3.35Å; Y129-K133 PolarHBondContact O-N 3.1Å |
| 130 | K | 86.4 | Confident | 87.4 | Confident | 171 Ų | 171 | 82.5 Ų | 82.5 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.4 | -42.5 | 177.4 | -69.8 | -175.4 | 177.8 | -179.8 | 0 | 112.9 | T128 M134 | T128-K130 PolarHBondContact O-N 2.82Å; K130-M134 WeakPolarHBondContact O-CG 3.31Å; K130-M134 PolarHBondContact O-N 3.37Å |
| 131 | N | 85.4 | Confident | 86.7 | Confident | 66 Ų | 66 | 85 Ų | 85 | 35% | 0.353 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -77.2 | -46.1 | -179.7 | -141.6 | 48.9 | 0 | 0 | 0 | 110.8 | E127 T128 K133 M134 I135 | E127-N131 WeakPolarHBondContact OE2-CB 3.35Å; E127-N131 PolarHBondContact OE2-ND2 3.41Å; T128-N131 PolarHBondContact O-N 3.26Å; N131-K133 VanDerWaalsContact C-N 3.29Å; N131-K133 PolarHBondContact O-N 2.84Å; N131-M134 PolarHBondContact O-N 3.35Å; N131-M134 VanDerWaalsContact OD1-CE 3.3Å; N131-M134 WeakPolarHBondContact OD1-CE 3.35Å; N131-I135 WeakPolarHBondContact O-CG1 3.46Å; N131-I135 PolarHBondContact O-N 3.47Å |
| 132 | A | 86.8 | Confident | 86 | Confident | 6 Ų | 6 | 85.2 Ų | 85.2 | 5% | 0.05 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -53.7 | -44.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V123 E127 T128 M134 I135 L136 | V123-A132 HydrophobicContact CG1-CB 4.16Å; E127-A132 HydrophobicContact CB-CB 4.28Å; T128-A132 PolarHBondContact O-N 2.9Å; A132-M134 PolarHBondContact O-N 3.29Å; A132-I135 PolarHBondContact O-N 3.03Å; A132-L136 WeakPolarHBondContact O-CB 3.37Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.18Å; A132-L136 PolarHBondContact O-N 3.03Å |
| 133 | K | 87.2 | Confident | 85 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.8 | -179.6 | 173.8 | 173.6 | -178.8 | 0 | 112.4 | Y129 N131 I135 L136 E137 | Y129-K133 WeakPolarHBondContact O-CB 3.35Å; Y129-K133 PolarHBondContact O-N 3.1Å; N131-K133 VanDerWaalsContact C-N 3.29Å; N131-K133 PolarHBondContact O-N 2.84Å; K133-I135 VanDerWaalsContact C-N 3.33Å; K133-I135 PolarHBondContact O-N 3.15Å; K133-L136 PolarHBondContact O-N 3.35Å; K133-E137 WeakPolarHBondContact CE-OE1 3.12Å; K133-E137 VanDerWaalsContact CE-OE2 3.31Å; K133-E137 WeakPolarHBondContact CE-OE2 3.02Å; K133-E137 HydrophobicContact CG-CG 4.33Å; K133-E137 IonicContact NZ-OE1 3.34Å; K133-E137 PolarHBondContact NZ-OE1 3.1Å; K133-E137 IonicContact NZ-OE2 2.68Å; K133-E137 WeakPolarHBondContact O-CB 3.37Å; K133-E137 WeakPolarHBondContact O-CG 3.45Å; K133-E137 PolarHBondContact O-N 3.25Å |
| 134 | M | 85.4 | Confident | 84.1 | Confident | 114 Ų | 114 | 84 Ų | 84 | 56% | 0.562 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 178.8 | -70.9 | -166.8 | -53.6 | 0 | 0 | 112.4 | K130 N131 A132 R138 | K130-M134 WeakPolarHBondContact O-CG 3.31Å; K130-M134 PolarHBondContact O-N 3.37Å; N131-M134 PolarHBondContact O-N 3.35Å; N131-M134 VanDerWaalsContact OD1-CE 3.3Å; N131-M134 WeakPolarHBondContact OD1-CE 3.35Å; A132-M134 PolarHBondContact O-N 3.29Å; M134-R138 VanDerWaalsContact O-CB 3.24Å; M134-R138 WeakPolarHBondContact O-CB 3.38Å; M134-R138 PolarHBondContact O-N 3.47Å |
| 135 | I | 85.9 | Confident | 83.6 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 178 | -62.8 | 174.2 | 0 | 0 | 0 | 110.4 | V15 L18 L120 V123 E127 N131 A132 K133 R138 F139 | V15-I135 HydrophobicContact CG2-CD1 3.99Å; V15-I135 HydrophobicContact CG2-CG1 3.94Å; L18-I135 HydrophobicContact CD1-CG2 3.48Å; L18-I135 VanDerWaalsContact CD1-CG2 3.48Å; L120-I135 HydrophobicContact CD2-CG2 4.43Å; V123-I135 HydrophobicContact CG1-CB 3.98Å; V123-I135 HydrophobicContact CG1-CD1 3.82Å; V123-I135 HydrophobicContact CG1-CG1 4.48Å; V123-I135 HydrophobicContact CG1-CG2 3.97Å; V123-I135 HydrophobicContact CG2-CD1 4.34Å; V123-I135 HydrophobicContact CG2-CG2 4.48Å; E127-I135 WeakPolarHBondContact OE1-CD1 3.31Å; E127-I135 VanDerWaalsContact OE2-CD1 3.25Å; E127-I135 WeakPolarHBondContact OE2-CD1 3.41Å; N131-I135 WeakPolarHBondContact O-CG1 3.46Å; N131-I135 PolarHBondContact O-N 3.47Å; A132-I135 PolarHBondContact O-N 3.03Å; K133-I135 VanDerWaalsContact C-N 3.33Å; K133-I135 PolarHBondContact O-N 3.15Å; I135-R138 PolarHBondContact O-N 2.94Å; I135-R138 VanDerWaalsContact O-N 3.17Å; I135-F139 HydrophobicContact CG2-CD2 3.91Å; I135-F139 WeakPolarHBondContact O-CD2 3.47Å; I135-F139 PolarHBondContact O-N 3.43Å |
| 136 | L | 85.8 | Confident | 82.8 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 174.4 | -73.4 | 165.4 | 0 | 0 | 0 | 111.2 | L120 A132 K133 R138 F139 D140 S143 | L120-L136 HydrophobicContact CD2-CD2 4.21Å; A132-L136 WeakPolarHBondContact O-CB 3.37Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.18Å; A132-L136 PolarHBondContact O-N 3.03Å; K133-L136 PolarHBondContact O-N 3.35Å; L136-R138 PolarHBondContact O-N 2.85Å; L136-F139 PolarHBondContact O-N 2.89Å; L136-D140 HydrophobicContact CD2-CB 4.22Å; L136-D140 VanDerWaalsContact O-CB 3.32Å; L136-D140 WeakPolarHBondContact O-CB 3.41Å; L136-D140 PolarHBondContact O-N 3.25Å; L136-S143 PolarHBondContact O-OG 3.16Å |
| 137 | E | 84.3 | Confident | 81.7 | Confident | 67 Ų | 67 | 81 Ų | 81 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.5 | -28.9 | 175.8 | -72.9 | -176.5 | 146.7 | 0 | 0 | 112.9 | K133 S143 N147 | K133-E137 WeakPolarHBondContact CE-OE1 3.12Å; K133-E137 VanDerWaalsContact CE-OE2 3.31Å; K133-E137 WeakPolarHBondContact CE-OE2 3.02Å; K133-E137 HydrophobicContact CG-CG 4.33Å; K133-E137 IonicContact NZ-OE1 3.34Å; K133-E137 PolarHBondContact NZ-OE1 3.1Å; K133-E137 IonicContact NZ-OE2 2.68Å; K133-E137 WeakPolarHBondContact O-CB 3.37Å; K133-E137 WeakPolarHBondContact O-CG 3.45Å; K133-E137 PolarHBondContact O-N 3.25Å; E137-S143 WeakPolarHBondContact CA-OG 3.36Å; E137-N147 PolarHBondContact OE1-ND2 2.87Å; E137-N147 VanDerWaalsContact OE1-ND2 3.16Å |
| 138 | R | 84.5 | Confident | 81 | Confident | 176 Ų | 176 | 85.1 Ų | 85.1 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -84.1 | -30.2 | -180 | -171.8 | 60.3 | -179.8 | -175.9 | 2.7 | 114.3 | M134 I135 L136 K144 | M134-R138 VanDerWaalsContact O-CB 3.24Å; M134-R138 WeakPolarHBondContact O-CB 3.38Å; M134-R138 PolarHBondContact O-N 3.47Å; I135-R138 PolarHBondContact O-N 2.94Å; I135-R138 VanDerWaalsContact O-N 3.17Å; L136-R138 PolarHBondContact O-N 2.85Å; R138-K144 VanDerWaalsContact C-CE 3.44Å; R138-K144 WeakPolarHBondContact O-CE 3.41Å; R138-K144 PolarHBondContact O-NZ 3.42Å |
| 139 | F | 85.9 | Confident | 80.1 | Confident | 7 Ų | 7 | 86.9 Ų | 86.9 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -128.4 | -24.1 | -168.4 | -66.6 | -73.5 | 0 | 0 | 0 | 115.8 | V15 L18 E19 K116 L120 I135 L136 | V15-F139 HydrophobicContact CB-CE2 4.49Å; V15-F139 HydrophobicContact CG1-CE2 4.04Å; V15-F139 HydrophobicContact CG1-CZ 4.12Å; L18-F139 HydrophobicContact CB-CD1 3.83Å; L18-F139 HydrophobicContact CB-CD2 4.03Å; L18-F139 HydrophobicContact CB-CE1 3.84Å; L18-F139 HydrophobicContact CB-CE2 4.03Å; L18-F139 HydrophobicContact CB-CG 3.92Å; L18-F139 HydrophobicContact CB-CZ 3.92Å; L18-F139 HydrophobicContact CD1-CB 4.36Å; L18-F139 HydrophobicContact CD1-CD2 3.82Å; L18-F139 HydrophobicContact CD1-CE2 4.28Å; L18-F139 HydrophobicContact CD1-CG 4.12Å; E19-F139 HydrophobicContact CB-CE1 4.16Å; E19-F139 HydrophobicContact CB-CZ 4.19Å; K116-F139 VanDerWaalsContact CE-O 3.27Å; K116-F139 WeakPolarHBondContact CE-O 3.32Å; K116-F139 PolarHBondContact NZ-O 3.38Å; L120-F139 HydrophobicContact CD2-CB 3.95Å; I135-F139 HydrophobicContact CG2-CD2 3.91Å; I135-F139 WeakPolarHBondContact O-CD2 3.47Å; I135-F139 PolarHBondContact O-N 3.43Å; L136-F139 PolarHBondContact O-N 2.89Å |
| 140 | D | 84.4 | Confident | 79 | Confident | 34 Ų | 34 | 86 Ų | 86 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | trans | -73.8 | 128.9 | 173.6 | 166.5 | 34.6 | 0 | 0 | 0 | 110.7 | L136 E142 S143 K144 | L136-D140 HydrophobicContact CD2-CB 4.22Å; L136-D140 VanDerWaalsContact O-CB 3.32Å; L136-D140 WeakPolarHBondContact O-CB 3.41Å; L136-D140 PolarHBondContact O-N 3.25Å; D140-E142 VanDerWaalsContact C-N 3.31Å; D140-E142 PolarHBondContact OD1-N 3.37Å; D140-E142 WeakPolarHBondContact OD2-CB 3.36Å; D140-S143 PolarHBondContact O-OG 3.4Å; D140-S143 WeakPolarHBondContact OD2-CB 3.4Å; D140-S143 PolarHBondContact OD2-N 3.05Å; D140-K144 WeakPolarHBondContact O-CG 3.39Å; D140-K144 PolarHBondContact O-N 3.09Å | ||
| 141 | P | 76.9 | Confident | 77.6 | Confident | 73 Ų | 73 | 82 Ų | 82 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.8 | -19 | 173.5 | 29.6 | -36.8 | 0 | 0 | 0 | 114.2 | K145 | P141-K145 WeakPolarHBondContact O-CD 3.4Å; P141-K145 VanDerWaalsContact O-CG 3.3Å; P141-K145 WeakPolarHBondContact O-CG 3.35Å; P141-K145 PolarHBondContact O-N 2.6Å |
| 142 | E | 74.6 | Confident | 76 | Confident | 114 Ų | 114 | 83.2 Ų | 83.2 | 53% | 0.533 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -79.4 | -45.2 | 175.4 | -70 | -154.3 | 176.7 | 0 | 0 | 113 | D140 K144 K145 K146 | D140-E142 VanDerWaalsContact C-N 3.31Å; D140-E142 PolarHBondContact OD1-N 3.37Å; D140-E142 WeakPolarHBondContact OD2-CB 3.36Å; E142-K144 VanDerWaalsContact C-N 3.3Å; E142-K144 PolarHBondContact O-N 2.79Å; E142-K145 PolarHBondContact O-N 3.22Å; E142-K146 WeakPolarHBondContact O-CB 3.32Å; E142-K146 WeakPolarHBondContact O-CD 3.45Å; E142-K146 VanDerWaalsContact O-CG 3.27Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.33Å; E142-K146 WeakPolarHBondContact OE2-CE 3.31Å; E142-K146 IonicContact OE2-NZ 2.73Å; E142-K146 PolarHBondContact OE2-NZ 3.49Å |
| 143 | S | 70.4 | Confident | 74.3 | Confident | 15 Ų | 15 | 88.8 Ų | 88.8 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -54.9 | -46 | 174.7 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | L136 E137 D140 K145 K146 N147 | L136-S143 PolarHBondContact O-OG 3.16Å; E137-S143 WeakPolarHBondContact CA-OG 3.36Å; D140-S143 PolarHBondContact O-OG 3.4Å; D140-S143 WeakPolarHBondContact OD2-CB 3.4Å; D140-S143 PolarHBondContact OD2-N 3.05Å; S143-K145 PolarHBondContact O-N 2.83Å; S143-K146 PolarHBondContact O-N 2.91Å; S143-N147 WeakPolarHBondContact O-CB 3.23Å; S143-N147 PolarHBondContact O-N 3.27Å |
| 144 | K | 71.4 | Confident | 72.6 | Confident | 73 Ų | 73 | 91.7 Ų | 91.7 | 32% | 0.317 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.2 | -50.1 | 174.6 | -71.8 | 173.2 | -175.9 | 173.9 | 0 | 111.5 | E22 R138 D140 E142 K146 N147 E148 | E22-K144 IonicContact OE2-NZ 3.75Å; R138-K144 VanDerWaalsContact C-CE 3.44Å; R138-K144 WeakPolarHBondContact O-CE 3.41Å; R138-K144 PolarHBondContact O-NZ 3.42Å; D140-K144 WeakPolarHBondContact O-CG 3.39Å; D140-K144 PolarHBondContact O-N 3.09Å; E142-K144 VanDerWaalsContact C-N 3.3Å; E142-K144 PolarHBondContact O-N 2.79Å; K144-K146 PolarHBondContact O-N 3.13Å; K144-N147 PolarHBondContact O-N 2.8Å; K144-E148 PolarHBondContact O-N 3.19Å |
| 145 | K | 75.3 | Confident | 70.4 | Confident | 130 Ų | 130 | 89.2 Ų | 89.2 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 178.8 | -74.7 | 172.2 | -177.2 | 174.2 | 0 | 112.9 | P141 E142 S143 N147 E148 L149 | P141-K145 WeakPolarHBondContact O-CD 3.4Å; P141-K145 VanDerWaalsContact O-CG 3.3Å; P141-K145 WeakPolarHBondContact O-CG 3.35Å; P141-K145 PolarHBondContact O-N 2.6Å; E142-K145 PolarHBondContact O-N 3.22Å; S143-K145 PolarHBondContact O-N 2.83Å; K145-N147 VanDerWaalsContact C-N 3.33Å; K145-E148 PolarHBondContact O-N 3.47Å; K145-L149 WeakPolarHBondContact O-CB 3.3Å; K145-L149 WeakPolarHBondContact O-CD1 3.49Å; K145-L149 WeakPolarHBondContact O-CG 3.43Å; K145-L149 PolarHBondContact O-N 3.02Å |
| 146 | K | 74.6 | Confident | 68.7 | Low | 113 Ų | 113 | 94.8 Ų | 94.8 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175 | -70.1 | 160 | -169.5 | 162.7 | 0 | 109.8 | E142 S143 K144 L149 E150 | E142-K146 WeakPolarHBondContact O-CB 3.32Å; E142-K146 WeakPolarHBondContact O-CD 3.45Å; E142-K146 VanDerWaalsContact O-CG 3.27Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.33Å; E142-K146 WeakPolarHBondContact OE2-CE 3.31Å; E142-K146 IonicContact OE2-NZ 2.73Å; E142-K146 PolarHBondContact OE2-NZ 3.49Å; S143-K146 PolarHBondContact O-N 2.91Å; K144-K146 PolarHBondContact O-N 3.13Å; K146-L149 PolarHBondContact O-N 3.23Å; K146-E150 WeakPolarHBondContact O-CB 3.34Å; K146-E150 PolarHBondContact O-N 2.95Å |
| 147 | N | 66.1 | Low | 66.8 | Low | 63 Ų | 63 | 101 Ų | 101 | 34% | 0.337 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 176.8 | -71.7 | 1.7 | 0 | 0 | 0 | 113.2 | E137 S143 K144 K145 E150 S151 | E137-N147 PolarHBondContact OE1-ND2 2.87Å; E137-N147 VanDerWaalsContact OE1-ND2 3.16Å; S143-N147 WeakPolarHBondContact O-CB 3.23Å; S143-N147 PolarHBondContact O-N 3.27Å; K144-N147 PolarHBondContact O-N 2.8Å; K145-N147 VanDerWaalsContact C-N 3.33Å; N147-E150 PolarHBondContact O-N 3.45Å; N147-S151 WeakPolarHBondContact O-CB 3.47Å; N147-S151 PolarHBondContact O-N 2.88Å; N147-S151 PolarHBondContact O-OG 3.22Å |
| 148 | E | 71.4 | Confident | 64.9 | Low | 129 Ų | 129 | 105.4 Ų | 105.4 | 60% | 0.603 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.6 | -39.1 | 172.3 | -75.5 | -175.7 | 110.4 | 0 | 0 | 112.4 | K144 K145 T152 | K144-E148 PolarHBondContact O-N 3.19Å; K145-E148 PolarHBondContact O-N 3.47Å; E148-T152 PolarHBondContact O-N 3.3Å; E148-T152 PolarHBondContact O-OG1 3.42Å |
| 149 | L | 70.6 | Confident | 62.9 | Low | 144 Ų | 144 | 103.2 Ų | 103.2 | 75% | 0.754 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.2 | -35.5 | 175.8 | -72.3 | 165.5 | 0 | 0 | 0 | 112.4 | K145 K146 | K145-L149 WeakPolarHBondContact O-CB 3.3Å; K145-L149 WeakPolarHBondContact O-CD1 3.49Å; K145-L149 WeakPolarHBondContact O-CG 3.43Å; K145-L149 PolarHBondContact O-N 3.02Å; K146-L149 PolarHBondContact O-N 3.23Å |
| 150 | E | 66.4 | Low | 60.8 | Low | 171 Ų | 171 | 108.5 Ų | 108.5 | 80% | 0.799 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.1 | -31.3 | 178.1 | -167.3 | 167.7 | 113.3 | 0 | 0 | 113.2 | K146 N147 | K146-E150 WeakPolarHBondContact O-CB 3.34Å; K146-E150 PolarHBondContact O-N 2.95Å; N147-E150 PolarHBondContact O-N 3.45Å |
| 151 | S | 57 | Low | 59 | Low | 86 Ų | 86 | 116.4 Ų | 116.4 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -86.7 | -5.4 | 178.3 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | N147 P153 | N147-S151 WeakPolarHBondContact O-CB 3.47Å; N147-S151 PolarHBondContact O-N 2.88Å; N147-S151 PolarHBondContact O-OG 3.22Å; S151-P153 WeakPolarHBondContact O-CD 3.39Å |
| 152 | T | 52 | Low | 57.3 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 57% | 0.571 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -68.5 | 110.4 | 169.7 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | E148 V154 | E148-T152 PolarHBondContact O-N 3.3Å; E148-T152 PolarHBondContact O-OG1 3.42Å; T152-V154 PolarHBondContact O-N 2.92Å; T152-V154 VanDerWaalsContact O-N 3.13Å |
| 153 | P | 49.8 | Very low | 56.1 | Low | 122 Ų | 122 | 117.1 Ų | 117.1 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | trans | -75.3 | 111.9 | -173.9 | -13.4 | 30.3 | 0 | 0 | 0 | 110.5 | S151 G155 | S151-P153 WeakPolarHBondContact O-CD 3.39Å; P153-G155 PolarHBondContact O-N 3.4Å | ||
| 154 | V | 52.3 | Low | 54.8 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 93% | 0.927 | 70% | 0.704 | S | S | * | * | trans | -66.7 | 113.6 | 168.9 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | T152 | T152-V154 PolarHBondContact O-N 2.92Å; T152-V154 VanDerWaalsContact O-N 3.13Å | ||
| 155 | G | 39.8 | Very low | 53.4 | Low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | trans | -155 | 156.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P153 | P153-G155 PolarHBondContact O-N 3.4Š| ||
| 156 | P | 48.7 | Very low | 52 | Low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | cis | -93.1 | 159.2 | -9.7 | 36.1 | -31.6 | 0 | 0 | 0 | 112.6 | L158 | P156-L158 PolarHBondContact O-N 3.41Š|
| 157 | Q | 45.9 | Very low | 50.6 | Low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 121 | 165.6 | -78.6 | -90.6 | 35 | 0 | 0 | 110.7 | ||
| 158 | L | 45.2 | Very low | 49.5 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -91 | 134.2 | 157.8 | -80.1 | 171.8 | 0 | 0 | 0 | 108.7 | P156 | P156-L158 PolarHBondContact O-N 3.41Š|
| 159 | T | 42.1 | Very low | 48.1 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133.5 | -167.7 | 42.8 | 0 | 0 | 0 | 0 | 113 | K161 | T159-K161 PolarHBondContact O-N 2.88Š|
| 160 | P | 42.2 | Very low | 46.9 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 117.7 | 171.9 | -18.1 | 31.2 | 0 | 0 | 0 | 110.7 | ||
| 161 | K | 45.8 | Very low | 45.8 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72 | 136.5 | 156 | -97.9 | -174.2 | 172.8 | -178.5 | 0 | 108.5 | T159 | T159-K161 PolarHBondContact O-N 2.88Š|
| 162 | P | 41 | Very low | 45.2 | Very low | 131 Ų | 131 | 149 Ų | 149 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -72.7 | 142.6 | -178.8 | 29.7 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 163 | G | 50 | Low | 44.9 | Very low | 71 Ų | 71 | 150.9 Ų | 150.9 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | 105.8 | 81 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 164 | Q | 42.9 | Very low | 44.2 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | -166.3 | 130.7 | 122.3 | -106.4 | 169.2 | 8.3 | 0 | 0 | 111.6 | |||||
| 165 | E | 42.9 | Very low | 43.7 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -79.9 | 125 | -179.8 | -73.4 | -177.7 | 123.3 | 0 | 0 | 110.6 | ||||
| 166 | L | 44.8 | Very low | 44.1 | Very low | 154 Ų | 154 | 158.3 Ų | 158.3 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | 77.4 | 92.8 | 86.4 | -162.7 | 157 | 0 | 0 | 0 | 114 | |||||
| 167 | R | 45.9 | Very low | 43.5 | Very low | 239 Ų | 239 | 160.5 Ų | 160.5 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -159.4 | 85.1 | 137.3 | -158.9 | 172.8 | -173.8 | 94.5 | -1.1 | 112.2 | ||||
| 168 | Q | 43.7 | Very low | 43.2 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -66.1 | 149.4 | 163.4 | -72 | 177.9 | -18.1 | 0 | 0 | 110.2 | ||||
| 169 | R | 41 | Very low | 43.2 | Very low | 231 Ų | 231 | 155.2 Ų | 155.2 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -124.5 | 115.8 | 164 | -166.7 | 175.9 | -166.1 | 166.7 | 5.4 | 109.5 | ||||
| 170 | I | 45.4 | Very low | 43.8 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -62.4 | 136.5 | 174.6 | -60.8 | 161.9 | 0 | 0 | 0 | 108.9 | ||||
| 171 | V | 42.8 | Very low | 43.9 | Very low | 128 Ų | 128 | 156.2 Ų | 156.2 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -128.4 | 100.5 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 172 | T | 44.9 | Very low | 44.3 | Very low | 116 Ų | 116 | 152 Ų | 152 | 71% | 0.712 | 82% | 0.819 | S | S | * | * | trans | -80.9 | 135.1 | 165.1 | 36.3 | 0 | 0 | 0 | 0 | 109.6 | K174 | T172-K174 PolarHBondContact O-N 3.38Š| ||
| 173 | P | 45.3 | Very low | 44 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -76 | 124.1 | 173.7 | 30.3 | -32.2 | 0 | 0 | 0 | 109.9 | ||||
| 174 | K | 35.8 | Very low | 43.3 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -115.8 | 121.6 | 172.6 | -171.8 | 175.3 | 177.8 | 67.1 | 0 | 109.7 | T172 | T172-K174 PolarHBondContact O-N 3.38Š| ||
| 175 | M | 41.9 | Very low | 42.8 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.3 | 174.2 | -64.7 | 171.8 | 68 | 0 | 0 | 110.9 | ||
| 176 | P | 47.1 | Very low | 42.6 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 121.8 | 167 | 32 | -30.2 | 0 | 0 | 0 | 110.4 | ||
| 177 | L | 35.8 | Very low | 42.3 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 138.3 | 164.7 | -179.2 | 66.2 | 0 | 0 | 0 | 108.7 | ||
| 178 | V | 41.4 | Very low | 41.7 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -108.3 | 119.9 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 179 | A | 43.5 | Very low | 41.4 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -147.1 | 154.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 180 | P | 55.6 | Low | 42.6 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -118 | -164.4 | -148.1 | 42.8 | -33.7 | 0 | 0 | 0 | 115.6 | ||||
| 181 | N | 44.3 | Very low | 43.3 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 101.7 | 161.4 | 155.8 | -112.6 | 21.7 | 0 | 0 | 0 | 118 | ||||
| 182 | P | 54.3 | Low | 43 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | -138.8 | 174.9 | -107.6 | 41.7 | -22.6 | 0 | 0 | 0 | 116.7 | |||||
| 183 | A | 34.8 | Very low | 42.4 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -155.9 | 152.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 184 | N | 34.3 | Very low | 41.9 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -82.8 | 169.4 | -174.4 | -54.9 | -28.6 | 0 | 0 | 0 | 114 | ||||
| 185 | G | 34 | Very low | 41.7 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 167.4 | 103.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 186 | S | 38.5 | Very low | 42 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -94.9 | 136.6 | -172.2 | 53.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 187 | A | 38.7 | Very low | 41.3 | Very low | 102 Ų | 102 | 122 Ų | 122 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | 46.6 | 131.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 188 | A | 33.6 | Very low | 41.1 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -159.3 | 162.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 189 | R | 37.3 | Very low | 41.3 | Very low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -161.7 | -178.4 | -179.6 | -128.4 | -161.8 | 159.5 | -162.6 | -1 | 107.6 | ||||
| 190 | P | 65.4 | Low | 40.7 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -113.9 | -99 | -12.4 | 21.4 | 5.5 | 0 | 0 | 0 | 111.9 | ||||
| 191 | P | 60.7 | Low | 39.5 | Very low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 80% | 0.801 | S | S | * | * | cis | -131.9 | 151.1 | -41.1 | 37.8 | -20.7 | 0 | 0 | 0 | 117.3 | ||||
| 192 | L | 35.6 | Very low | 39 | Very low | 171 Ų | 171 | 126.2 Ų | 126.2 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | 62.2 | 151.6 | 150.9 | -61.6 | 161.2 | 0 | 0 | 0 | 119.5 | ||||
| 193 | A | 33.5 | Very low | 38 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -161.5 | 143.3 | -25.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 194 | S | 34.8 | Very low | 38 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | 158.9 | 162.1 | 89.8 | -78.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 195 | G | 30.7 | Very low | 37.9 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -96.2 | -163.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 196 | P | 47.5 | Very low | 38.3 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | cis | -138.5 | -169.7 | 2.7 | 42.4 | -23.9 | 0 | 0 | 0 | 115.7 | ||||
| 197 | S | 32.8 | Very low | 38.6 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 82.5 | 126.9 | 153.1 | -59.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 198 | Y | 32 | Very low | 38.2 | Very low | 227 Ų | 227 | 127.9 Ų | 127.9 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -73.9 | 174.5 | 152.9 | -76.7 | -92.8 | 0 | 0 | 0 | 110.4 | ||||
| 199 | P | 46.5 | Very low | 38.2 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | cis | -136 | 173.2 | 9.5 | 42.1 | -25.7 | 0 | 0 | 0 | 116.9 | ||||
| 200 | G | 29.1 | Very low | 39 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 116.9 | 124.8 | 131.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 201 | R | 30.4 | Very low | 38.8 | Very low | 239 Ų | 239 | 121 Ų | 121 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 63.4 | 112.8 | 134.2 | -154.4 | 171.3 | -159.5 | -172 | 4.9 | 121 | ||||
| 202 | S | 34.8 | Very low | 37.8 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -12.1 | 143.6 | 149.1 | 60.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 203 | S | 33.2 | Very low | 38 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | 166.8 | 121.4 | 100.4 | -83.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 204 | H | 34.9 | Very low | 38.1 | Very low | 195 Ų | 195 | 124.2 Ų | 124.2 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -143.3 | 106 | 149.4 | -62.8 | -71.1 | 0 | 0 | 0 | 106.4 | ||||
| 205 | S | 33.1 | Very low | 38 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | 85.3 | 112.5 | 61.9 | -64.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 206 | A | 41.1 | Very low | 38.2 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -94.1 | -175.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 207 | P | 45.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | -145.5 | 149.8 | 129.8 | 35.9 | -20.7 | 0 | 0 | 0 | 117 | |||||
| 208 | G | 29.5 | Very low | 37.9 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | 92.5 | 136.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 209 | G | 33.9 | Very low | 38.2 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | cis | -167 | 163 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 210 | P | 53.6 | Low | 38 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -113.8 | -161.2 | -165.2 | 45.3 | -35.5 | 0 | 0 | 0 | 112.7 | ||||
| 211 | P | 61.3 | Low | 38.4 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | cis | -124.7 | -173.2 | -5 | 25.4 | 2 | 0 | 0 | 0 | 112.9 | ||||
| 212 | E | 40.4 | Very low | 38.6 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 62% | 0.621 | 78% | 0.784 | S | S | * | * | -167.3 | 178.2 | 58.8 | -106 | -61.2 | 119.1 | 0 | 0 | 114.6 | |||||
| 213 | R | 39.6 | Very low | 38.7 | Very low | 207 Ų | 207 | 124.8 Ų | 124.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -48.8 | 162.2 | -176.7 | -64.8 | 160.3 | 171.7 | 83.4 | -0.7 | 117.1 | ||||
| 214 | G | 34.6 | Very low | 38.8 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | cis | 118.3 | 116.8 | -4.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 215 | L | 33.2 | Very low | 38.8 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | trans | -159.7 | 168.6 | 163 | -113.1 | 173.6 | 0 | 0 | 0 | 112.3 | ||||
| 216 | S | 35.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -103 | 166 | -149.5 | -60 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 217 | A | 37.8 | Very low | 38.8 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -74 | 154.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 218 | V | 36.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -146 | 143.9 | 161.6 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 219 | A | 37.4 | Very low | 38.8 | Very low | 85 Ų | 85 | 145 Ų | 145 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | trans | 51 | 117.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 220 | A | 42.4 | Very low | 39.1 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | cis | 60.6 | 126.5 | 20.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 221 | Q | 36.8 | Very low | 38.7 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | 70 | 143.5 | -166.8 | -46.1 | 179.3 | -10.9 | 0 | 0 | 112.5 | ||||
| 222 | Q | 36.2 | Very low | 37.4 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | cis | -129.2 | 139.4 | 7.4 | -62.5 | 169.3 | -1.8 | 0 | 0 | 110.6 | ||||
| 223 | S | 36.4 | Very low | 37.2 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | -141.6 | 57.4 | 177.7 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 224 | L | 35.4 | Very low | 37.4 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -95.5 | 104.3 | 175.6 | -67.9 | 178.3 | 0 | 0 | 0 | 110.8 | ||||
| 225 | M | 34.9 | Very low | 37.7 | Very low | 185 Ų | 185 | 145 Ų | 145 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | 174.4 | 73.1 | 140.6 | -94.3 | -58 | 159.8 | 0 | 0 | 109.3 | ||||
| 226 | R | 38.8 | Very low | 38.3 | Very low | 242 Ų | 242 | 142.5 Ų | 142.5 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | trans | -108.7 | 96 | 178.5 | -160.3 | 179.8 | -158.9 | 173.4 | 6.6 | 109.7 | ||||
| 227 | R | 34.7 | Very low | 38.7 | Very low | 235 Ų | 235 | 140.7 Ų | 140.7 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -66 | 137.2 | 169.2 | -77.8 | -173 | 171.8 | -165.6 | -2.4 | 109.6 | ||||
| 228 | P | 37.6 | Very low | 39.2 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -75.7 | 139.7 | 172.1 | 31.3 | -32.9 | 0 | 0 | 0 | 110.3 | ||||
| 229 | M | 39 | Very low | 39.7 | Very low | 184 Ų | 184 | 139 Ų | 139 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -125.9 | 141.2 | 166.2 | -169.4 | 166.1 | -175.8 | 0 | 0 | 108.4 | ||||
| 230 | T | 39.7 | Very low | 39.9 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | -76.7 | 149.7 | -171.6 | 41.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 231 | P | 44.1 | Very low | 40.1 | Very low | 133 Ų | 133 | 143 Ų | 143 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -80.8 | 126.7 | 177.2 | 31.8 | -32.7 | 0 | 0 | 0 | 111.2 | ||||
| 232 | G | 33.9 | Very low | 40.8 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -164.8 | 125.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 233 | T | 37.6 | Very low | 41.5 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 50.8 | 116.7 | 163 | 55.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 234 | P | 42.6 | Very low | 42.5 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 132.5 | 164.4 | 32.5 | -32 | 0 | 0 | 0 | 111.1 | ||
| 235 | V | 41.6 | Very low | 43.6 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 120.5 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 236 | P | 45.2 | Very low | 44.8 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 127.3 | 173.5 | -11.5 | 27.8 | 0 | 0 | 0 | 110.5 | ||
| 237 | G | 45.4 | Very low | 45.9 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.7 | -27 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 238 | V | 48.4 | Very low | 47 | Very low | 133 Ų | 133 | 107.6 Ų | 107.6 | 81% | 0.806 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -85.6 | 120.2 | 176.3 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | M240 | V238-M240 PolarHBondContact O-N 2.93Š|
| 239 | G | 44.9 | Very low | 48.3 | Very low | 71 Ų | 71 | 106 Ų | 106 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | trans | -59.7 | 126.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H241 | G239-H241 PolarHBondContact O-N 2.89Š| ||
| 240 | M | 41.2 | Very low | 49.3 | Very low | 182 Ų | 182 | 102.5 Ų | 102.5 | 90% | 0.897 | 66% | 0.661 | S | S | * | * | trans | -70 | 96 | 178.1 | -69.2 | -66.4 | 154.8 | 0 | 0 | 110.4 | V238 | V238-M240 PolarHBondContact O-N 2.93Š| ||
| 241 | H | 48 | Very low | 50.3 | Low | 74 Ų | 74 | 100.6 Ų | 100.6 | 34% | 0.343 | 65% | 0.649 | S | S | . | * | trans | -61.7 | 135.8 | 160.3 | -168.6 | -76.5 | 0 | 0 | 0 | 108 | G239 Y303 | G239-H241 PolarHBondContact O-N 2.89Å; H241-Y303 AromaticContact CD2-CE1 3.99Å; H241-Y303 AromaticContact NE2-CE1 3.6Å | ||
| 242 | P | 50.9 | Low | 51 | Low | 77 Ų | 77 | 97.7 Ų | 97.7 | 50% | 0.5 | 63% | 0.626 | S | S | . | * | trans | -59.3 | 163.3 | 174.8 | 25.7 | -35.1 | 0 | 0 | 0 | 111.3 | G244 | P242-G244 PolarHBondContact O-N 2.84Š| ||
| 243 | P | 51.3 | Low | 52.2 | Low | 135 Ų | 135 | 98.7 Ų | 98.7 | 88% | 0.877 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -71.1 | 71.1 | -179.2 | 30.9 | -36.8 | 0 | 0 | 0 | 111.9 | ||
| 244 | G | 58.1 | Low | 53.2 | Low | 26 Ų | 26 | 104 Ų | 104 | 27% | 0.268 | 63% | 0.626 | S | S | . | * | trans | -93.3 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P242 Y305 | P242-G244 PolarHBondContact O-N 2.84Å; G244-Y305 WeakPolarHBondContact CA-OH 3.33Å | ||
| 245 | P | 58.5 | Low | 53.9 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 38% | 0.377 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -58 | 146.4 | 174.5 | -20.6 | 33.5 | 0 | 0 | 0 | 110.3 | L247 Y305 | P245-L247 PolarHBondContact O-N 3.14Å; P245-Y305 VanDerWaalsContact CD-CE1 3.45Å; P245-Y305 HydrophobicContact CG-CD1 4.2Å; P245-Y305 HydrophobicContact CG-CE1 3.85Å |
| 246 | P | 59.9 | Low | 54.9 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 81% | 0.812 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 132.2 | 178.5 | 23.9 | -33.6 | 0 | 0 | 0 | 110.3 | V248 | P246-V248 PolarHBondContact O-N 3.07Š|
| 247 | L | 61.2 | Low | 56.2 | Low | 60 Ų | 60 | 99.9 Ų | 99.9 | 31% | 0.314 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 132.7 | 176.3 | -68.9 | 171.1 | 0 | 0 | 0 | 109.5 | P245 R249 V251 A302 | P245-L247 PolarHBondContact O-N 3.14Å; L247-R249 WeakPolarHBondContact CB-O 2.97Å; L247-R249 PolarHBondContact O-N 2.9Å; L247-V251 HydrophobicContact CD1-CG2 4.1Å; L247-A302 HydrophobicContact CD2-CB 3.55Å |
| 248 | V | 57.9 | Low | 57.6 | Low | 87 Ų | 87 | 99.6 Ų | 99.6 | 53% | 0.527 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -54.4 | -28.7 | -175.1 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | P246 I297 F299 | P246-V248 PolarHBondContact O-N 3.07Å; V248-I297 HydrophobicContact CG1-CD1 4.27Å; V248-F299 HydrophobicContact CG2-CB 4.21Å |
| 249 | R | 64.4 | Low | 58.8 | Low | 96 Ų | 96 | 99.8 Ų | 99.8 | 36% | 0.362 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -137.4 | 149.3 | 159.5 | -68 | -168.7 | 172.5 | 111.6 | -2.9 | 110.7 | L247 E293 | L247-R249 WeakPolarHBondContact CB-O 2.97Å; L247-R249 PolarHBondContact O-N 2.9Å; R249-E293 IonicContact CZ-OE1 2.82Å; R249-E293 IonicContact CZ-OE2 3.96Å; R249-E293 IonicContact NH1-OE1 2.66Å; R249-E293 IonicContact NH1-OE2 2.63Å; R249-E293 PolarHBondContact NH1-OE2 3.4Å; R249-E293 IonicContact NH2-OE1 3.36Å; R249-E293 PolarHBondContact NH2-OE1 3.4Å; R249-E293 IonicContact NH2-OE2 3.92Å; R249-E293 PolarHBondContact NH2-OE2 2.84Å |
| 250 | P | 61.4 | Low | 60 | Low | 112 Ų | 112 | 98.7 Ų | 98.7 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -55.5 | 139.3 | 167.2 | -23.4 | 34 | 0 | 0 | 0 | 111.3 | L252 | P250-L252 PolarHBondContact O-N 2.82Š| ||
| 251 | V | 59.8 | Low | 61.5 | Low | 88 Ų | 88 | 96 Ų | 96 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | trans | -72.9 | 99.5 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | L247 | L247-V251 HydrophobicContact CD1-CG2 4.1Š| ||
| 252 | L | 58.8 | Low | 62.8 | Low | 73 Ų | 73 | 96.6 Ų | 96.6 | 38% | 0.382 | 54% | 0.537 | S | S | . | . | trans | -52.9 | 131.6 | 175.1 | -73.1 | 158.6 | 0 | 0 | 0 | 109.8 | P250 R256 | P250-L252 PolarHBondContact O-N 2.82Å; L252-R256 VanDerWaalsContact CB-NH1 3.27Å; L252-R256 PolarHBondContact O-NH1 2.98Å | ||
| 253 | P | 59.5 | Low | 63.9 | Low | 84 Ų | 84 | 97.6 Ų | 97.6 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | trans | -51.3 | 150.9 | -173.4 | -31.6 | 36.7 | 0 | 0 | 0 | 115.1 | E255 R256 | P253-E255 VanDerWaalsContact C-N 3.34Å; P253-R256 VanDerWaalsContact O-CD 3.27Å; P253-R256 WeakPolarHBondContact O-CD 3.41Å; P253-R256 WeakPolarHBondContact O-CG 3.36Å; P253-R256 PolarHBondContact O-NH1 2.98Å | ||
| 254 | R | 59 | Low | 64.8 | Low | 245 Ų | 245 | 91.8 Ų | 91.8 | 93% | 0.925 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -70.7 | -31 | 176.1 | 179.6 | 174.6 | 172.4 | 167.4 | -2.7 | 112.3 | ||
| 255 | E | 57.1 | Low | 65.5 | Low | 178 Ų | 178 | 100.5 Ų | 100.5 | 83% | 0.832 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -105.5 | 123.3 | 176.1 | -66.7 | 179.9 | -160.3 | 0 | 0 | 109 | P253 | P253-E255 VanDerWaalsContact C-N 3.34Š|
| 256 | R | 62.5 | Low | 66.3 | Low | 63 Ų | 63 | 104.9 Ų | 104.9 | 24% | 0.238 | 54% | 0.544 | C | S | . | . | trans | -138 | 135.5 | -169.4 | -72 | 151.7 | 120.9 | 129.2 | -28.3 | 110 | L252 P253 D260 E264 | L252-R256 VanDerWaalsContact CB-NH1 3.27Å; L252-R256 PolarHBondContact O-NH1 2.98Å; P253-R256 VanDerWaalsContact O-CD 3.27Å; P253-R256 WeakPolarHBondContact O-CD 3.41Å; P253-R256 WeakPolarHBondContact O-CG 3.36Å; P253-R256 PolarHBondContact O-NH1 2.98Å; R256-D260 HydrophobicContact CB-CB 4.2Å; R256-D260 WeakPolarHBondContact CD-OD2 3.29Å; R256-D260 VanDerWaalsContact CG-OD2 3.31Å; R256-D260 WeakPolarHBondContact CG-OD2 3.35Å; R256-D260 IonicContact CZ-OD2 2.66Å; R256-D260 IonicContact NE-OD2 2.87Å; R256-D260 PolarHBondContact NE-OD2 3.46Å; R256-D260 IonicContact NH2-OD2 2.78Å; R256-E264 IonicContact CZ-OE1 3.79Å; R256-E264 IonicContact NE-OE1 3.54Å; R256-E264 IonicContact NH2-OE1 3.16Å; R256-E264 PolarHBondContact NH2-OE1 3.42Å | ||
| 257 | G | 71.6 | Confident | 67 | Low | 52 Ų | 52 | 104 Ų | 104 | 54% | 0.536 | 54% | 0.536 | S | S | . | . | trans | -72.6 | 165.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M259 D260 | G257-M259 PolarHBondContact O-N 3.12Å; G257-D260 WeakPolarHBondContact O-CB 3.49Å; G257-D260 PolarHBondContact O-N 3.4Å; G257-D260 VanDerWaalsContact O-N 3.12Å | ||
| 258 | A | 74.4 | Confident | 67.2 | Low | 72 Ų | 72 | 103 Ų | 103 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.9 | -31.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | D260 R261 V262 | A258-D260 VanDerWaalsContact C-N 3.34Å; A258-D260 PolarHBondContact O-N 3.06Å; A258-R261 WeakPolarHBondContact O-CB 3.34Å; A258-R261 PolarHBondContact O-N 3.39Å; A258-V262 PolarHBondContact O-N 3.16Å |
| 259 | M | 74.4 | Confident | 67.7 | Low | 138 Ų | 138 | 100.5 Ų | 100.5 | 68% | 0.68 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 177.5 | -61.5 | -63.2 | 94.9 | 0 | 0 | 112.5 | G257 R261 V262 I263 | G257-M259 PolarHBondContact O-N 3.12Å; M259-R261 PolarHBondContact O-N 2.93Å; M259-V262 PolarHBondContact O-N 3.39Å; M259-V262 VanDerWaalsContact O-N 3.13Å; M259-I263 WeakPolarHBondContact O-CG1 3.36Å; M259-I263 PolarHBondContact O-N 3.37Å |
| 260 | D | 71.3 | Confident | 68 | Low | 48 Ų | 48 | 96.7 Ų | 96.7 | 26% | 0.257 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 176.8 | -165.8 | 61.4 | 0 | 0 | 0 | 110.9 | R256 G257 A258 I263 E264 | R256-D260 HydrophobicContact CB-CB 4.2Å; R256-D260 WeakPolarHBondContact CD-OD2 3.29Å; R256-D260 VanDerWaalsContact CG-OD2 3.31Å; R256-D260 WeakPolarHBondContact CG-OD2 3.35Å; R256-D260 IonicContact CZ-OD2 2.66Å; R256-D260 IonicContact NE-OD2 2.87Å; R256-D260 PolarHBondContact NE-OD2 3.46Å; R256-D260 IonicContact NH2-OD2 2.78Å; G257-D260 WeakPolarHBondContact O-CB 3.49Å; G257-D260 PolarHBondContact O-N 3.4Å; G257-D260 VanDerWaalsContact O-N 3.12Å; A258-D260 VanDerWaalsContact C-N 3.34Å; A258-D260 PolarHBondContact O-N 3.06Å; D260-I263 PolarHBondContact O-N 2.84Å; D260-E264 WeakPolarHBondContact O-CB 3.48Å; D260-E264 WeakPolarHBondContact O-CG 3.23Å; D260-E264 PolarHBondContact O-N 3.09Å |
| 261 | R | 71.1 | Confident | 68.3 | Low | 124 Ų | 124 | 95.6 Ų | 95.6 | 47% | 0.468 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 174.2 | -58.8 | -53.2 | -162.4 | 164 | 6.3 | 113.7 | A258 M259 E264 Y265 | A258-R261 WeakPolarHBondContact O-CB 3.34Å; A258-R261 PolarHBondContact O-N 3.39Å; M259-R261 PolarHBondContact O-N 2.93Å; R261-E264 VanDerWaalsContact CD-OE2 3.26Å; R261-E264 WeakPolarHBondContact CD-OE2 3.28Å; R261-E264 IonicContact CZ-OE2 3.85Å; R261-E264 IonicContact NE-OE2 2.6Å; R261-E264 IonicContact NH1-OE2 3.74Å; R261-E264 PolarHBondContact NH1-OE2 3.21Å; R261-Y265 WeakPolarHBondContact O-CB 3.28Å; R261-Y265 PolarHBondContact O-N 3.12Å |
| 262 | V | 75.1 | Confident | 68.7 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 173.8 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | A258 M259 Y265 L266 | A258-V262 PolarHBondContact O-N 3.16Å; M259-V262 PolarHBondContact O-N 3.39Å; M259-V262 VanDerWaalsContact O-N 3.13Å; V262-Y265 PolarHBondContact O-N 2.99Å; V262-L266 WeakPolarHBondContact O-CB 3.1Å; V262-L266 PolarHBondContact O-N 3.27Å |
| 263 | I | 75.8 | Confident | 69.6 | Low | 99 Ų | 99 | 99.1 Ų | 99.1 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 174.2 | -63.2 | 163.3 | 0 | 0 | 0 | 110.7 | M259 D260 Y265 L266 V267 | M259-I263 WeakPolarHBondContact O-CG1 3.36Å; M259-I263 PolarHBondContact O-N 3.37Å; D260-I263 PolarHBondContact O-N 2.84Å; I263-Y265 PolarHBondContact O-N 3.36Å; I263-L266 PolarHBondContact O-N 2.71Å; I263-V267 HydrophobicContact CG2-CG2 4.09Å; I263-V267 VanDerWaalsContact O-CB 3.31Å; I263-V267 WeakPolarHBondContact O-CB 3.11Å; I263-V267 WeakPolarHBondContact O-CG2 3.33Å; I263-V267 PolarHBondContact O-N 3.39Å |
| 264 | E | 70 | Confident | 70.8 | Confident | 13 Ų | 13 | 96.7 Ų | 96.7 | 6% | 0.061 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -56.2 | -37.4 | 174 | -77.7 | -176.8 | 160 | 0 | 0 | 112.3 | R256 D260 R261 G268 D269 R274 | R256-E264 IonicContact CZ-OE1 3.79Å; R256-E264 IonicContact NE-OE1 3.54Å; R256-E264 IonicContact NH2-OE1 3.16Å; R256-E264 PolarHBondContact NH2-OE1 3.42Å; D260-E264 WeakPolarHBondContact O-CB 3.48Å; D260-E264 WeakPolarHBondContact O-CG 3.23Å; D260-E264 PolarHBondContact O-N 3.09Å; R261-E264 VanDerWaalsContact CD-OE2 3.26Å; R261-E264 WeakPolarHBondContact CD-OE2 3.28Å; R261-E264 IonicContact CZ-OE2 3.85Å; R261-E264 IonicContact NE-OE2 2.6Å; R261-E264 IonicContact NH1-OE2 3.74Å; R261-E264 PolarHBondContact NH1-OE2 3.21Å; E264-G268 CarbonylContact O-C 3.56Å; E264-G268 WeakPolarHBondContact O-CA 3.46Å; E264-G268 PolarHBondContact O-N 2.9Å; E264-D269 PolarHBondContact O-N 2.84Å; E264-R274 IonicContact OE1-NH2 3.76Å |
| 265 | Y | 71.5 | Confident | 72.1 | Confident | 208 Ų | 208 | 89.9 Ų | 89.9 | 82% | 0.816 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.5 | -44 | 176.7 | -177 | -102.5 | 0 | 0 | 0 | 112.9 | R261 V262 I263 | R261-Y265 WeakPolarHBondContact O-CB 3.28Å; R261-Y265 PolarHBondContact O-N 3.12Å; V262-Y265 PolarHBondContact O-N 2.99Å; I263-Y265 PolarHBondContact O-N 3.36Å |
| 266 | L | 75.6 | Confident | 73.6 | Confident | 150 Ų | 150 | 83.4 Ų | 83.4 | 79% | 0.785 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -72.1 | -29.9 | -178.8 | -171.5 | 65 | 0 | 0 | 0 | 113 | V262 I263 | V262-L266 WeakPolarHBondContact O-CB 3.1Å; V262-L266 PolarHBondContact O-N 3.27Å; I263-L266 PolarHBondContact O-N 2.71Å |
| 267 | V | 74.9 | Confident | 75 | Confident | 106 Ų | 106 | 80.9 Ų | 80.9 | 64% | 0.642 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -94.9 | -17.3 | -180 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | I263 D269 | I263-V267 HydrophobicContact CG2-CG2 4.09Å; I263-V267 VanDerWaalsContact O-CB 3.31Å; I263-V267 WeakPolarHBondContact O-CB 3.11Å; I263-V267 WeakPolarHBondContact O-CG2 3.33Å; I263-V267 PolarHBondContact O-N 3.39Å; V267-D269 VanDerWaalsContact C-N 3.26Å; V267-D269 HydrophobicContact CG1-CB 4.19Å; V267-D269 PolarHBondContact O-N 2.92Å |
| 268 | G | 65.8 | Low | 76 | Confident | 41 Ų | 41 | 83 Ų | 83 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 79.4 | -1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | E264 G270 | E264-G268 CarbonylContact O-C 3.56Å; E264-G268 WeakPolarHBondContact O-CA 3.46Å; E264-G268 PolarHBondContact O-N 2.9Å; G268-G270 PolarHBondContact O-N 2.89Å |
| 269 | D | 68.4 | Low | 76.9 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | trans | -81.1 | 37.3 | -177.7 | -165.3 | 20.8 | 0 | 0 | 0 | 112.6 | E264 V267 R274 L290 | E264-D269 PolarHBondContact O-N 2.84Å; V267-D269 VanDerWaalsContact C-N 3.26Å; V267-D269 HydrophobicContact CG1-CB 4.19Å; V267-D269 PolarHBondContact O-N 2.92Å; D269-R274 PolarHBondContact O-NE 2.97Å; D269-R274 PolarHBondContact O-NH2 3.34Å; D269-R274 IonicContact OD1-CZ 3.98Å; D269-R274 IonicContact OD1-NE 2.72Å; D269-R274 PolarHBondContact OD1-NE 3.5Å; D269-R274 IonicContact OD1-NH1 3.96Å; D269-R274 PolarHBondContact OD1-NH1 3.33Å; D269-R274 IonicContact OD1-NH2 2.72Å; D269-R274 PolarHBondContact OD1-NH2 2.81Å; D269-R274 IonicContact OD2-CZ 3.47Å; D269-R274 IonicContact OD2-NH1 3.52Å; D269-R274 PolarHBondContact OD2-NH1 3.49Å; D269-R274 IonicContact OD2-NH2 2.74Å; D269-R274 PolarHBondContact OD2-NH2 3.38Å; D269-L290 HydrophobicContact CB-CD2 4.26Å; D269-L290 WeakPolarHBondContact OD1-CD2 3.24Å | ||
| 270 | G | 71.1 | Confident | 77.7 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 17% | 0.165 | 41% | 0.405 | C | S | . | . | trans | -73.6 | 165.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G268 Q272 N273 | G268-G270 PolarHBondContact O-N 2.89Å; G270-Q272 PolarHBondContact O-N 3.46Å; G270-N273 PolarHBondContact O-N 3.38Å | ||
| 271 | P | 66.6 | Low | 78.8 | Confident | 89 Ų | 89 | 83 Ų | 83 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -13.8 | -173.5 | 25.6 | -36 | 0 | 0 | 0 | 115.1 | ||
| 272 | Q | 68.6 | Low | 79.8 | Confident | 194 Ų | 194 | 79.1 Ų | 79.1 | 91% | 0.907 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -18.1 | 175.2 | -65.6 | -178.5 | -2.3 | 0 | 0 | 113.7 | G270 | G270-Q272 PolarHBondContact O-N 3.46Š|
| 273 | N | 77.5 | Confident | 80.7 | Confident | 41 Ų | 41 | 81.5 Ų | 81.5 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -105.9 | 19.7 | -179.7 | -152.9 | 45.5 | 0 | 0 | 0 | 113.6 | G270 K291 E292 | G270-N273 PolarHBondContact O-N 3.38Å; N273-K291 WeakPolarHBondContact O-CB 3.36Å; N273-K291 PolarHBondContact O-N 3.03Å; N273-K291 WeakPolarHBondContact OD1-CB 3.48Å; N273-K291 WeakPolarHBondContact OD1-CD 3.28Å; N273-E292 PolarHBondContact ND2-OE1 3.48Å; N273-E292 PolarHBondContact ND2-OE2 2.93Å |
| 274 | R | 84.6 | Confident | 81.2 | Confident | 32 Ų | 32 | 78.7 Ų | 78.7 | 12% | 0.121 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142 | 178.2 | -61.7 | -178.1 | -167.8 | -95.9 | 11.3 | 111.2 | E264 D269 M288 A289 | E264-R274 IonicContact OE1-NH2 3.76Å; D269-R274 PolarHBondContact O-NE 2.97Å; D269-R274 PolarHBondContact O-NH2 3.34Å; D269-R274 IonicContact OD1-CZ 3.98Å; D269-R274 IonicContact OD1-NE 2.72Å; D269-R274 PolarHBondContact OD1-NE 3.5Å; D269-R274 IonicContact OD1-NH1 3.96Å; D269-R274 PolarHBondContact OD1-NH1 3.33Å; D269-R274 IonicContact OD1-NH2 2.72Å; D269-R274 PolarHBondContact OD1-NH2 2.81Å; D269-R274 IonicContact OD2-CZ 3.47Å; D269-R274 IonicContact OD2-NH1 3.52Å; D269-R274 PolarHBondContact OD2-NH1 3.49Å; D269-R274 IonicContact OD2-NH2 2.74Å; D269-R274 PolarHBondContact OD2-NH2 3.38Å; R274-M288 HydrophobicContact CB-CB 4.26Å; R274-M288 HydrophobicContact CB-SD 4.26Å; R274-A289 CarbonylContact C-O 3.48Å; R274-A289 VanDerWaalsContact CA-O 3.27Å; R274-A289 WeakPolarHBondContact CA-O 3.25Å |
| 275 | Y | 86.2 | Confident | 82.2 | Confident | 103 Ų | 103 | 82.2 Ų | 82.2 | 40% | 0.404 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147.5 | 171.5 | -67.3 | -46 | 0 | 0 | 0 | 112.1 | M288 A289 K291 F294 | Y275-M288 WeakPolarHBondContact O-CA 3.42Å; Y275-A289 PolarHBondContact N-O 3.4Å; Y275-A289 PolarHBondContact O-N 3.49Å; Y275-K291 HydrophobicContact CD2-CB 4.46Å; Y275-K291 HydrophobicContact CD2-CG 4.48Å; Y275-K291 HydrophobicContact CE2-CB 4.17Å; Y275-K291 HydrophobicContact CE2-CG 3.74Å; Y275-F294 HydrophobicContact CD2-CB 3.81Å; Y275-F294 AromaticContact CD2-CD1 3.52Å; Y275-F294 HydrophobicContact CD2-CD1 3.52Å; Y275-F294 HydrophobicContact CD2-CD2 4.42Å; Y275-F294 HydrophobicContact CD2-CE1 4.14Å; Y275-F294 AromaticContact CD2-CG 3.67Å; Y275-F294 HydrophobicContact CD2-CG 3.67Å; Y275-F294 HydrophobicContact CE2-CD1 4.3Å; Y275-F294 HydrophobicContact CG-CD1 4.12Å; Y275-F294 HydrophobicContact CG-CD2 4.45Å; Y275-F294 HydrophobicContact CG-CE1 4.4Å; Y275-F294 HydrophobicContact CG-CG 4.13Å |
| 276 | A | 89.5 | Confident | 82.9 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 35% | 0.347 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I278 | A276-I278 VanDerWaalsContact C-N 3.33Å; A276-I278 HydrophobicContact CB-CD1 4.38Å; A276-I278 HydrophobicContact CB-CG1 4.11Å; A276-I278 PolarHBondContact O-N 3.31Å |
| 277 | L | 90.2 | Very high | 83.5 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 77.5 | 175.8 | -62.1 | 179.7 | 0 | 0 | 0 | 110.6 | N286 G287 A289 F294 I297 F299 | L277-N286 HydrophobicContact CB-CB 4.24Å; L277-N286 WeakPolarHBondContact O-CB 3.39Å; L277-N286 PolarHBondContact O-N 2.98Å; L277-N286 PolarHBondContact O-ND2 2.89Å; L277-G287 WeakPolarHBondContact CB-O 3.14Å; L277-G287 PolarHBondContact N-O 2.97Å; L277-A289 HydrophobicContact CD1-CB 4.34Å; L277-A289 HydrophobicContact CD2-CB 3.96Å; L277-A289 HydrophobicContact CG-CB 4.24Å; L277-F294 HydrophobicContact CD2-CD2 3.97Å; L277-F294 HydrophobicContact CD2-CE2 4.17Å; L277-I297 HydrophobicContact CD2-CG2 3.99Å; L277-F299 HydrophobicContact CB-CD1 4.39Å; L277-F299 HydrophobicContact CB-CE1 4.01Å; L277-F299 HydrophobicContact CB-CE2 4.21Å; L277-F299 HydrophobicContact CB-CZ 3.92Å; L277-F299 HydrophobicContact CD2-CD1 4.01Å; L277-F299 HydrophobicContact CD2-CE1 3.99Å |
| 278 | I | 92.5 | Very high | 84 | Confident | 97 Ų | 97 | 64.1 Ų | 64.1 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126.7 | 177.3 | -58.3 | 174.9 | 0 | 0 | 0 | 109.4 | A276 | A276-I278 VanDerWaalsContact C-N 3.33Å; A276-I278 HydrophobicContact CB-CD1 4.38Å; A276-I278 HydrophobicContact CB-CG1 4.11Å; A276-I278 PolarHBondContact O-N 3.31Å |
| 279 | C | 93.2 | Very high | 85 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -76.4 | 134.3 | 178 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | Q281 L283 S284 C301 C304 N308 | C279-Q281 PolarHBondContact O-N 2.95Å; C279-L283 WeakPolarHBondContact O-CA 3.07Å; C279-L283 PolarHBondContact O-N 3.25Å; C279-S284 PolarHBondContact N-O 3.5Å; C279-C301 HydrophobicContact CB-CB 3.87Å; C279-C301 VanDerWaalsContact SG-CB 3.6Å; C279-C304 VanDerWaalsContact SG-SG 3.64Å; C279-N308 VanDerWaalsContact CA-OD1 3.29Å; C279-N308 WeakPolarHBondContact CA-OD1 3.4Å; C279-N308 PolarHBondContact SG-OD1 3.29Å | ||
| 280 | Q | 93.1 | Very high | 85.7 | Confident | 120 Ų | 120 | 62.8 Ų | 62.8 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -36.9 | -178.8 | -60.5 | 176.2 | 10.5 | 0 | 0 | 112.9 | F306 N308 | Q280-F306 HydrophobicContact CB-CE1 4.2Å; Q280-N308 PolarHBondContact N-OD1 2.88Å |
| 281 | Q | 94.3 | Very high | 86.2 | Confident | 137 Ų | 137 | 66.8 Ų | 66.8 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -29.3 | -173.1 | -172.3 | 64.8 | 11.9 | 0 | 0 | 114.4 | C279 F306 | C279-Q281 PolarHBondContact O-N 2.95Å; Q281-F306 HydrophobicContact CB-CB 3.87Å; Q281-F306 HydrophobicContact CB-CD1 3.94Å; Q281-F306 HydrophobicContact CB-CD2 3.9Å; Q281-F306 HydrophobicContact CB-CE1 4.46Å; Q281-F306 HydrophobicContact CB-CE2 4.43Å; Q281-F306 HydrophobicContact CB-CG 3.63Å; Q281-F306 HydrophobicContact CG-CB 4.39Å; Q281-F306 HydrophobicContact CG-CD2 4.17Å; Q281-F306 HydrophobicContact CG-CG 4.29Å |
| 282 | C | 91.3 | Very high | 87 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 5.3 | -175.4 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | S284 C301 C304 | C282-S284 PolarHBondContact O-N 3Å; C282-S284 PolarHBondContact O-OG 2.9Å; C282-S284 PolarHBondContact SG-OG 3.33Å; C282-S284 VanDerWaalsContact SG-OG 3.41Å; C282-C301 VanDerWaalsContact SG-SG 3.64Å; C282-C304 HydrophobicContact CB-CB 3.97Å; C282-C304 PolarHBondContact SG-SG 3.32Å |
| 283 | L | 94 | Very high | 87.7 | Confident | 137 Ų | 137 | 60.6 Ų | 60.6 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | trans | 54.5 | 10 | 179.2 | -52.1 | -178.9 | 0 | 0 | 0 | 115.7 | C279 | C279-L283 WeakPolarHBondContact O-CA 3.07Å; C279-L283 PolarHBondContact O-N 3.25Å | ||
| 284 | S | 86.9 | Confident | 88.2 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -77.6 | 147.3 | -177.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | C279 C282 N286 Y303 | C279-S284 PolarHBondContact N-O 3.5Å; C282-S284 PolarHBondContact O-N 3Å; C282-S284 PolarHBondContact O-OG 2.9Å; C282-S284 PolarHBondContact SG-OG 3.33Å; C282-S284 VanDerWaalsContact SG-OG 3.41Å; S284-N286 PolarHBondContact O-ND2 3.46Å; S284-Y303 VanDerWaalsContact CB-CD2 3.45Å | ||
| 285 | H | 90.6 | Very high | 88.3 | Confident | 88 Ų | 88 | 62 Ų | 62 | 41% | 0.407 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 125.5 | -179 | 176 | -119.8 | 0 | 0 | 0 | 111.9 | G287 Y303 | H285-G287 PolarHBondContact NE2-O 2.94Å; H285-G287 VanDerWaalsContact NE2-O 3.09Å; H285-Y303 WeakPolarHBondContact O-CE2 3.44Å; H285-Y303 PolarHBondContact O-OH 2.77Å |
| 286 | N | 86.7 | Confident | 88.4 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 23.3 | -174.6 | -56.2 | -98.6 | 0 | 0 | 0 | 112.6 | L277 S284 F299 C301 A302 | L277-N286 HydrophobicContact CB-CB 4.24Å; L277-N286 WeakPolarHBondContact O-CB 3.39Å; L277-N286 PolarHBondContact O-N 2.98Å; L277-N286 PolarHBondContact O-ND2 2.89Å; S284-N286 PolarHBondContact O-ND2 3.46Å; N286-F299 HydrophobicContact CB-CD2 4.17Å; N286-F299 HydrophobicContact CB-CE2 3.9Å; N286-C301 WeakPolarHBondContact OD1-CA 3.41Å; N286-C301 PolarHBondContact OD1-SG 2.81Å; N286-A302 PolarHBondContact OD1-N 2.84Å |
| 287 | G | 87.2 | Confident | 88.3 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.5 | -168.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L277 H285 | L277-G287 WeakPolarHBondContact CB-O 3.14Å; L277-G287 PolarHBondContact N-O 2.97Å; H285-G287 PolarHBondContact NE2-O 2.94Å; H285-G287 VanDerWaalsContact NE2-O 3.09Å |
| 288 | M | 85.6 | Confident | 88.4 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 35% | 0.345 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 149.3 | -173.3 | -63.9 | -177.7 | -69.1 | 0 | 0 | 112 | R274 Y275 | R274-M288 HydrophobicContact CB-CB 4.26Å; R274-M288 HydrophobicContact CB-SD 4.26Å; Y275-M288 WeakPolarHBondContact O-CA 3.42Å |
| 289 | A | 86.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 156.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R274 Y275 L277 I297 | R274-A289 CarbonylContact C-O 3.48Å; R274-A289 VanDerWaalsContact CA-O 3.27Å; R274-A289 WeakPolarHBondContact CA-O 3.25Å; Y275-A289 PolarHBondContact N-O 3.4Å; Y275-A289 PolarHBondContact O-N 3.49Å; L277-A289 HydrophobicContact CD1-CB 4.34Å; L277-A289 HydrophobicContact CD2-CB 3.96Å; L277-A289 HydrophobicContact CG-CB 4.24Å; A289-I297 HydrophobicContact CB-CD1 4.49Å; A289-I297 HydrophobicContact CB-CG2 4.47Å |
| 290 | L | 83.8 | Confident | 88.2 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 147.8 | 171.3 | -84.6 | 160.5 | 0 | 0 | 0 | 111 | D269 E292 E293 F294 | D269-L290 HydrophobicContact CB-CD2 4.26Å; D269-L290 WeakPolarHBondContact OD1-CD2 3.24Å; L290-E292 PolarHBondContact O-N 3.33Å; L290-E293 HydrophobicContact CB-CB 4.33Å; L290-E293 HydrophobicContact CB-CG 4.08Å; L290-E293 PolarHBondContact O-N 3.15Å; L290-E293 VanDerWaalsContact O-N 3.08Å; L290-F294 WeakPolarHBondContact O-CB 3.39Å; L290-F294 PolarHBondContact O-N 3.49Å |
| 291 | K | 82.7 | Confident | 88.1 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.5 | -41.2 | 179.4 | 176.9 | 174.8 | -173.4 | -177.6 | 0 | 112.8 | N273 Y275 E293 | N273-K291 WeakPolarHBondContact O-CB 3.36Å; N273-K291 PolarHBondContact O-N 3.03Å; N273-K291 WeakPolarHBondContact OD1-CB 3.48Å; N273-K291 WeakPolarHBondContact OD1-CD 3.28Å; Y275-K291 HydrophobicContact CD2-CB 4.46Å; Y275-K291 HydrophobicContact CD2-CG 4.48Å; Y275-K291 HydrophobicContact CE2-CB 4.17Å; Y275-K291 HydrophobicContact CE2-CG 3.74Å; K291-E293 VanDerWaalsContact C-N 3.31Å; K291-E293 PolarHBondContact O-N 3.43Å |
| 292 | E | 83 | Confident | 87.6 | Confident | 107 Ų | 107 | 53.5 Ų | 53.5 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -73.3 | -24.7 | -177.2 | -54.7 | 70.5 | -152.4 | 0 | 0 | 112 | N273 L290 Y296 | N273-E292 PolarHBondContact ND2-OE1 3.48Å; N273-E292 PolarHBondContact ND2-OE2 2.93Å; L290-E292 PolarHBondContact O-N 3.33Å; E292-Y296 WeakPolarHBondContact O-CD2 3.39Å |
| 293 | E | 82.9 | Confident | 87.4 | Confident | 46 Ų | 46 | 56.8 Ų | 56.8 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -93.8 | -30.5 | 178.4 | -64.2 | -176.5 | 127.8 | 0 | 0 | 113.3 | R249 L290 K291 E295 Y296 I297 | R249-E293 IonicContact CZ-OE1 2.82Å; R249-E293 IonicContact CZ-OE2 3.96Å; R249-E293 IonicContact NH1-OE1 2.66Å; R249-E293 IonicContact NH1-OE2 2.63Å; R249-E293 PolarHBondContact NH1-OE2 3.4Å; R249-E293 IonicContact NH2-OE1 3.36Å; R249-E293 PolarHBondContact NH2-OE1 3.4Å; R249-E293 IonicContact NH2-OE2 3.92Å; R249-E293 PolarHBondContact NH2-OE2 2.84Å; L290-E293 HydrophobicContact CB-CB 4.33Å; L290-E293 HydrophobicContact CB-CG 4.08Å; L290-E293 PolarHBondContact O-N 3.15Å; L290-E293 VanDerWaalsContact O-N 3.08Å; K291-E293 VanDerWaalsContact C-N 3.31Å; K291-E293 PolarHBondContact O-N 3.43Å; E293-E295 PolarHBondContact O-N 3.01Å; E293-E295 VanDerWaalsContact O-N 3.1Å; E293-Y296 CarbonylContact O-C 3.56Å; E293-Y296 PolarHBondContact O-N 3.22Å; E293-I297 PolarHBondContact O-N 3.33Å |
| 294 | F | 87 | Confident | 87.1 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.9 | -29.6 | -170.8 | 177.5 | -103.1 | 0 | 0 | 0 | 113.9 | Y275 L277 L290 | Y275-F294 HydrophobicContact CD2-CB 3.81Å; Y275-F294 AromaticContact CD2-CD1 3.52Å; Y275-F294 HydrophobicContact CD2-CD1 3.52Å; Y275-F294 HydrophobicContact CD2-CD2 4.42Å; Y275-F294 HydrophobicContact CD2-CE1 4.14Å; Y275-F294 AromaticContact CD2-CG 3.67Å; Y275-F294 HydrophobicContact CD2-CG 3.67Å; Y275-F294 HydrophobicContact CE2-CD1 4.3Å; Y275-F294 HydrophobicContact CG-CD1 4.12Å; Y275-F294 HydrophobicContact CG-CD2 4.45Å; Y275-F294 HydrophobicContact CG-CE1 4.4Å; Y275-F294 HydrophobicContact CG-CG 4.13Å; L277-F294 HydrophobicContact CD2-CD2 3.97Å; L277-F294 HydrophobicContact CD2-CE2 4.17Å; L290-F294 WeakPolarHBondContact O-CB 3.39Å; L290-F294 PolarHBondContact O-N 3.49Å |
| 295 | E | 88.4 | Confident | 87.2 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -29.5 | 175 | -56.5 | -164.5 | 121.4 | 0 | 0 | 112.8 | E293 R311 K312 | E293-E295 PolarHBondContact O-N 3.01Å; E293-E295 VanDerWaalsContact O-N 3.1Å; E295-R311 CarbonylContact O-C 3.57Å; E295-R311 WeakPolarHBondContact O-CA 3.09Å; E295-R311 WeakPolarHBondContact O-CB 3.36Å; E295-R311 PolarHBondContact O-N 3.24Å; E295-K312 HydrophobicContact CB-CB 4.48Å; E295-K312 HydrophobicContact CB-CD 4.11Å; E295-K312 HydrophobicContact CB-CG 4.3Å; E295-K312 VanDerWaalsContact CD-CE 3.45Å; E295-K312 PolarHBondContact O-N 3.39Å; E295-K312 WeakPolarHBondContact OE1-CE 3.47Å; E295-K312 IonicContact OE1-NZ 2.76Å; E295-K312 PolarHBondContact OE1-NZ 2.99Å; E295-K312 WeakPolarHBondContact OE2-CD 3.26Å; E295-K312 WeakPolarHBondContact OE2-CE 3.39Å; E295-K312 IonicContact OE2-NZ 2.68Å; E295-K312 PolarHBondContact OE2-NZ 2.86Å |
| 296 | Y | 87.4 | Confident | 87.3 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -8 | -170 | -56.7 | -76.8 | 0 | 0 | 0 | 114.1 | E292 E293 A310 K312 T313 R314 | E292-Y296 WeakPolarHBondContact O-CD2 3.39Å; E293-Y296 CarbonylContact O-C 3.56Å; E293-Y296 PolarHBondContact O-N 3.22Å; Y296-A310 WeakPolarHBondContact O-CB 3.26Å; Y296-K312 HydrophobicContact CD1-CB 3.83Å; Y296-K312 WeakPolarHBondContact CD1-O 3.41Å; Y296-K312 HydrophobicContact CE1-CB 3.53Å; Y296-K312 HydrophobicContact CE1-CD 4.28Å; Y296-T313 WeakPolarHBondContact CE1-O 3.28Å; Y296-R314 HydrophobicContact CD1-CB 4.28Å; Y296-R314 HydrophobicContact CD1-CG 3.46Å; Y296-R314 VanDerWaalsContact CD1-CG 3.46Å; Y296-R314 HydrophobicContact CE1-CG 4.17Å; Y296-R314 HydrophobicContact CG-CG 3.7Å |
| 297 | I | 87.7 | Confident | 87.6 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | trans | -84.9 | 122 | -178.9 | -165 | 170.4 | 0 | 0 | 0 | 111.4 | V248 L277 A289 E293 | V248-I297 HydrophobicContact CG1-CD1 4.27Å; L277-I297 HydrophobicContact CD2-CG2 3.99Å; A289-I297 HydrophobicContact CB-CD1 4.49Å; A289-I297 HydrophobicContact CB-CG2 4.47Å; E293-I297 PolarHBondContact O-N 3.33Å | ||
| 298 | A | 91.1 | Very high | 87.9 | Confident | 55 Ų | 55 | 59 Ų | 59 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | trans | -95.3 | 139.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | N308 A310 | A298-N308 CarbonylContact C-O 3.59Å; A298-N308 VanDerWaalsContact CA-O 3.3Å; A298-N308 WeakPolarHBondContact CA-O 3.48Å; A298-A310 HydrophobicContact CB-CB 4.35Å | ||
| 299 | F | 90.4 | Very high | 88.2 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138.8 | -179.5 | 73.9 | -84.9 | 0 | 0 | 0 | 112.6 | V248 L277 N286 N308 | V248-F299 HydrophobicContact CG2-CB 4.21Å; L277-F299 HydrophobicContact CB-CD1 4.39Å; L277-F299 HydrophobicContact CB-CE1 4.01Å; L277-F299 HydrophobicContact CB-CE2 4.21Å; L277-F299 HydrophobicContact CB-CZ 3.92Å; L277-F299 HydrophobicContact CD2-CD1 4.01Å; L277-F299 HydrophobicContact CD2-CE1 3.99Å; N286-F299 HydrophobicContact CB-CD2 4.17Å; N286-F299 HydrophobicContact CB-CE2 3.9Å; F299-N308 HydrophobicContact CD1-CB 3.93Å; F299-N308 HydrophobicContact CE1-CB 3.61Å; F299-N308 HydrophobicContact CE2-CB 4.27Å; F299-N308 WeakPolarHBondContact CE2-ND2 3.36Å; F299-N308 HydrophobicContact CG-CB 4.4Å; F299-N308 HydrophobicContact CZ-CB 3.79Å; F299-N308 WeakPolarHBondContact CZ-ND2 3.38Å; F299-N308 PolarHBondContact N-O 3.41Å; F299-N308 WeakPolarHBondContact O-CB 3.38Å; F299-N308 PolarHBondContact O-N 3.41Å; F299-N308 PolarHBondContact O-ND2 3.36Å |
| 300 | R | 92.3 | Very high | 88.4 | Confident | 142 Ų | 142 | 61 Ų | 61 | 54% | 0.536 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.3 | 169.8 | -166.2 | 174.4 | -71.5 | -97.5 | 9.3 | 109.2 | Y305 F306 L307 | R300-Y305 WeakPolarHBondContact CD-O 3.22Å; R300-Y305 WeakPolarHBondContact CG-O 3.46Å; R300-Y305 PolarHBondContact NH1-O 2.98Å; R300-F306 CarbonylContact C-O 3.53Å; R300-F306 WeakPolarHBondContact CA-O 3.4Å; R300-L307 HydrophobicContact CB-CD1 4.47Å |
| 301 | C | 90.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | trans | -69.7 | 135.9 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | C279 C282 N286 Y303 C304 Y305 F306 | C279-C301 HydrophobicContact CB-CB 3.87Å; C279-C301 VanDerWaalsContact SG-CB 3.6Å; C282-C301 VanDerWaalsContact SG-SG 3.64Å; N286-C301 WeakPolarHBondContact OD1-CA 3.41Å; N286-C301 PolarHBondContact OD1-SG 2.81Å; C301-Y303 VanDerWaalsContact C-N 3.29Å; C301-Y303 PolarHBondContact O-N 2.94Å; C301-C304 VanDerWaalsContact SG-SG 3.67Å; C301-Y305 WeakPolarHBondContact O-CA 3.34Å; C301-Y305 PolarHBondContact O-N 3.22Å; C301-F306 PolarHBondContact N-O 3.33Å | ||
| 302 | A | 84.9 | Confident | 88.7 | Confident | 6 Ų | 6 | 67 Ų | 67 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -20.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L247 N286 | L247-A302 HydrophobicContact CD2-CB 3.55Å; N286-A302 PolarHBondContact OD1-N 2.84Å |
| 303 | Y | 85.6 | Confident | 88.7 | Confident | 114 Ų | 114 | 68.2 Ų | 68.2 | 45% | 0.447 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -51.6 | -175.5 | -48.5 | -82.1 | 0 | 0 | 0 | 112.4 | H241 S284 H285 C301 | H241-Y303 AromaticContact CD2-CE1 3.99Å; H241-Y303 AromaticContact NE2-CE1 3.6Å; S284-Y303 VanDerWaalsContact CB-CD2 3.45Å; H285-Y303 WeakPolarHBondContact O-CE2 3.44Å; H285-Y303 PolarHBondContact O-OH 2.77Å; C301-Y303 VanDerWaalsContact C-N 3.29Å; C301-Y303 PolarHBondContact O-N 2.94Å |
| 304 | C | 87.4 | Confident | 88.4 | Confident | 48 Ų | 48 | 73.8 Ų | 73.8 | 32% | 0.324 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 1.2 | -176 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | C279 C282 C301 F306 | C279-C304 VanDerWaalsContact SG-SG 3.64Å; C282-C304 HydrophobicContact CB-CB 3.97Å; C282-C304 PolarHBondContact SG-SG 3.32Å; C301-C304 VanDerWaalsContact SG-SG 3.67Å; C304-F306 PolarHBondContact O-N 2.89Å; C304-F306 VanDerWaalsContact SG-CB 3.53Å |
| 305 | Y | 88.9 | Confident | 87.8 | Confident | 107 Ų | 107 | 77.4 Ų | 77.4 | 42% | 0.42 | 38% | 0.378 | S | S | . | . | trans | 59.8 | 5.5 | 177.6 | -61.2 | -107.2 | 0 | 0 | 0 | 115.6 | G244 P245 R300 C301 | G244-Y305 WeakPolarHBondContact CA-OH 3.33Å; P245-Y305 VanDerWaalsContact CD-CE1 3.45Å; P245-Y305 HydrophobicContact CG-CD1 4.2Å; P245-Y305 HydrophobicContact CG-CE1 3.85Å; R300-Y305 WeakPolarHBondContact CD-O 3.22Å; R300-Y305 WeakPolarHBondContact CG-O 3.46Å; R300-Y305 PolarHBondContact NH1-O 2.98Å; C301-Y305 WeakPolarHBondContact O-CA 3.34Å; C301-Y305 PolarHBondContact O-N 3.22Å | ||
| 306 | F | 93.4 | Very high | 86.9 | Confident | 74 Ų | 74 | 82.8 Ų | 82.8 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | trans | -63.3 | 137.7 | 174.2 | -177.3 | -98.7 | 0 | 0 | 0 | 111.1 | Q280 Q281 R300 C301 C304 N308 | Q280-F306 HydrophobicContact CB-CE1 4.2Å; Q281-F306 HydrophobicContact CB-CB 3.87Å; Q281-F306 HydrophobicContact CB-CD1 3.94Å; Q281-F306 HydrophobicContact CB-CD2 3.9Å; Q281-F306 HydrophobicContact CB-CE1 4.46Å; Q281-F306 HydrophobicContact CB-CE2 4.43Å; Q281-F306 HydrophobicContact CB-CG 3.63Å; Q281-F306 HydrophobicContact CG-CB 4.39Å; Q281-F306 HydrophobicContact CG-CD2 4.17Å; Q281-F306 HydrophobicContact CG-CG 4.29Å; R300-F306 CarbonylContact C-O 3.53Å; R300-F306 WeakPolarHBondContact CA-O 3.4Å; C301-F306 PolarHBondContact N-O 3.33Å; C304-F306 PolarHBondContact O-N 2.89Å; C304-F306 VanDerWaalsContact SG-CB 3.53Å; F306-N308 WeakPolarHBondContact CD1-OD1 3.5Å; F306-N308 PolarHBondContact O-ND2 2.85Å | ||
| 307 | L | 94.1 | Very high | 86.1 | Confident | 91 Ų | 91 | 83 Ų | 83 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 108.3 | 175.9 | 179.3 | 61.1 | 0 | 0 | 0 | 109.4 | R300 P309 | R300-L307 HydrophobicContact CB-CD1 4.47Å; L307-P309 WeakPolarHBondContact O-CD 3.23Å |
| 308 | N | 93.1 | Very high | 85.3 | Confident | 2 Ų | 2 | 87.2 Ų | 87.2 | 1% | 0.011 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.4 | 173.9 | -52.1 | -89.5 | 0 | 0 | 0 | 107.4 | C279 Q280 A298 F299 F306 | C279-N308 VanDerWaalsContact CA-OD1 3.29Å; C279-N308 WeakPolarHBondContact CA-OD1 3.4Å; C279-N308 PolarHBondContact SG-OD1 3.29Å; Q280-N308 PolarHBondContact N-OD1 2.88Å; A298-N308 CarbonylContact C-O 3.59Å; A298-N308 VanDerWaalsContact CA-O 3.3Å; A298-N308 WeakPolarHBondContact CA-O 3.48Å; F299-N308 HydrophobicContact CD1-CB 3.93Å; F299-N308 HydrophobicContact CE1-CB 3.61Å; F299-N308 HydrophobicContact CE2-CB 4.27Å; F299-N308 WeakPolarHBondContact CE2-ND2 3.36Å; F299-N308 HydrophobicContact CG-CB 4.4Å; F299-N308 HydrophobicContact CZ-CB 3.79Å; F299-N308 WeakPolarHBondContact CZ-ND2 3.38Å; F299-N308 PolarHBondContact N-O 3.41Å; F299-N308 WeakPolarHBondContact O-CB 3.38Å; F299-N308 PolarHBondContact O-N 3.41Å; F299-N308 PolarHBondContact O-ND2 3.36Å; F306-N308 WeakPolarHBondContact CD1-OD1 3.5Å; F306-N308 PolarHBondContact O-ND2 2.85Å |
| 309 | P | 92.3 | Very high | 84 | Confident | 78 Ų | 78 | 95.5 Ų | 95.5 | 51% | 0.506 | 47% | 0.47 | S | S | . | . | trans | -72.3 | 159 | -179.6 | 30.9 | -35.5 | 0 | 0 | 0 | 111.5 | L307 | L307-P309 WeakPolarHBondContact O-CD 3.23Š| ||
| 310 | A | 90.3 | Very high | 82.7 | Confident | 36 Ų | 36 | 102.1 Ų | 102.1 | 30% | 0.298 | 51% | 0.505 | S | S | . | . | trans | -62.7 | 147.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y296 A298 | Y296-A310 WeakPolarHBondContact O-CB 3.26Å; A298-A310 HydrophobicContact CB-CB 4.35Å | ||
| 311 | R | 85.9 | Confident | 81.4 | Confident | 178 Ų | 178 | 101.2 Ų | 101.2 | 67% | 0.672 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -76.9 | -26.8 | 178.4 | -61 | 174.7 | 176.7 | -96.5 | -0.8 | 112.3 | E295 | E295-R311 CarbonylContact O-C 3.57Å; E295-R311 WeakPolarHBondContact O-CA 3.09Å; E295-R311 WeakPolarHBondContact O-CB 3.36Å; E295-R311 PolarHBondContact O-N 3.24Å |
| 312 | K | 86.8 | Confident | 79.8 | Confident | 95 Ų | 95 | 109.5 Ų | 109.5 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -136.9 | 144.3 | 176.3 | -62.3 | -177.9 | -172.9 | 169.6 | 0 | 109.1 | E295 Y296 | E295-K312 HydrophobicContact CB-CB 4.48Å; E295-K312 HydrophobicContact CB-CD 4.11Å; E295-K312 HydrophobicContact CB-CG 4.3Å; E295-K312 VanDerWaalsContact CD-CE 3.45Å; E295-K312 PolarHBondContact O-N 3.39Å; E295-K312 WeakPolarHBondContact OE1-CE 3.47Å; E295-K312 IonicContact OE1-NZ 2.76Å; E295-K312 PolarHBondContact OE1-NZ 2.99Å; E295-K312 WeakPolarHBondContact OE2-CD 3.26Å; E295-K312 WeakPolarHBondContact OE2-CE 3.39Å; E295-K312 IonicContact OE2-NZ 2.68Å; E295-K312 PolarHBondContact OE2-NZ 2.86Å; Y296-K312 HydrophobicContact CD1-CB 3.83Å; Y296-K312 WeakPolarHBondContact CD1-O 3.41Å; Y296-K312 HydrophobicContact CE1-CB 3.53Å; Y296-K312 HydrophobicContact CE1-CD 4.28Å |
| 313 | T | 81.9 | Confident | 78.4 | Confident | 132 Ų | 132 | 116.3 Ų | 116.3 | 81% | 0.81 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 142.2 | 163.1 | 44.9 | 0 | 0 | 0 | 0 | 109.2 | Y296 | Y296-T313 WeakPolarHBondContact CE1-O 3.28Š|
| 314 | R | 77.6 | Confident | 76.9 | Confident | 163 Ų | 163 | 115.5 Ų | 115.5 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 139.4 | 167.1 | -71 | -175.4 | 176.6 | 173.8 | -0.5 | 108.2 | Y296 Q316 | Y296-R314 HydrophobicContact CD1-CB 4.28Å; Y296-R314 HydrophobicContact CD1-CG 3.46Å; Y296-R314 VanDerWaalsContact CD1-CG 3.46Å; Y296-R314 HydrophobicContact CE1-CG 4.17Å; Y296-R314 HydrophobicContact CG-CG 3.7Å; R314-Q316 PolarHBondContact O-N 3.45Å |
| 315 | P | 73.8 | Confident | 75.3 | Confident | 113 Ų | 113 | 116.9 Ų | 116.9 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.5 | 166 | -22.4 | 33 | 0 | 0 | 0 | 109.1 | A317 | P315-A317 PolarHBondContact O-N 3.45Š|
| 316 | Q | 70.1 | Confident | 73.6 | Confident | 179 Ų | 179 | 120.1 Ų | 120.1 | 84% | 0.836 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67 | 126.5 | 167.6 | -75.1 | -156.4 | 7.6 | 0 | 0 | 108.1 | R314 | R314-Q316 PolarHBondContact O-N 3.45Š|
| 317 | A | 70.3 | Confident | 71.7 | Confident | 81 Ų | 81 | 125 Ų | 125 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P315 R319 | P315-A317 PolarHBondContact O-N 3.45Å; A317-R319 PolarHBondContact O-N 3.32Å |
| 318 | P | 70.1 | Confident | 69.7 | Low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 134.3 | 171 | -25.4 | 34.5 | 0 | 0 | 0 | 109.5 | L320 | P318-L320 PolarHBondContact O-N 2.98Š|
| 319 | R | 63.6 | Low | 67.3 | Low | 228 Ų | 228 | 138.4 Ų | 138.4 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -66.5 | 113.2 | 175.5 | -75.9 | -168.8 | 171.5 | 155.1 | -0.2 | 108.7 | A317 | A317-R319 PolarHBondContact O-N 3.32Š| ||
| 320 | L | 62.8 | Low | 65.2 | Low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.4 | 162.7 | -72.5 | 167.8 | 0 | 0 | 0 | 108.1 | P318 E322 | P318-L320 PolarHBondContact O-N 2.98Å; L320-E322 PolarHBondContact O-N 3.45Å |
| 321 | P | 66.5 | Low | 63.1 | Low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.2 | 174.3 | -27.7 | 36 | 0 | 0 | 0 | 110.6 | ||
| 322 | E | 56.1 | Low | 60.6 | Low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.9 | -172 | -157.4 | 162.6 | 134.3 | 0 | 0 | 110.4 | L320 A324 | L320-E322 PolarHBondContact O-N 3.45Å; E322-A324 PolarHBondContact O-N 3.34Å |
| 323 | L | 54.8 | Low | 58.2 | Low | 149 Ų | 149 | 141.8 Ų | 141.8 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -74 | 57.6 | 177.1 | -83.3 | 165 | 0 | 0 | 0 | 111.3 | A325 | L323-A325 PolarHBondContact O-N 2.92Š| ||
| 324 | A | 55.2 | Low | 56 | Low | 96 Ų | 96 | 140.3 Ų | 140.3 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 26.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E322 | E322-A324 PolarHBondContact O-N 3.34Š|
| 325 | A | 54.3 | Low | 53.8 | Low | 78 Ų | 78 | 137.3 Ų | 137.3 | 65% | 0.645 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -23.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L323 | L323-A325 PolarHBondContact O-N 2.92Š|
| 326 | E | 51.8 | Low | 52 | Low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -112.8 | 26.7 | -171.5 | -64.2 | -159.9 | 117.8 | 0 | 0 | 114.9 | ||
| 327 | L | 55.1 | Low | 50.4 | Low | 177 Ų | 177 | 134.3 Ų | 134.3 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -119.2 | 35.2 | 167.3 | -150.6 | 93.3 | 0 | 0 | 0 | 113 | ||
| 328 | K | 50.8 | Low | 48.9 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -143.4 | 131.2 | 174.2 | -150.9 | 161.8 | -172.3 | 170.7 | 0 | 109.5 | ||
| 329 | M | 44.3 | Very low | 47.3 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | 82.2 | 39.2 | -168.9 | -49.3 | -169.8 | -171.4 | 0 | 0 | 117 | ||||
| 330 | A | 46.2 | Very low | 45.8 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -102.7 | 66 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 331 | A | 47.4 | Very low | 44.3 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -151.4 | 112.4 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 332 | G | 34.3 | Very low | 42.7 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 159.8 | 112 | -176 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 333 | D | 35 | Very low | 41.6 | Very low | 172 Ų | 172 | 124.6 Ų | 124.6 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -78.2 | 173.8 | -176.5 | -73.8 | -76.3 | 0 | 0 | 0 | 113.9 | ||||
| 334 | A | 36.5 | Very low | 40.5 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -65 | 145.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 335 | A | 31.1 | Very low | 39.3 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -159.2 | 139.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 336 | S | 35.1 | Very low | 38.2 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -71.8 | 172.2 | 156.5 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 337 | S | 37.5 | Very low | 37.2 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | cis | -158.2 | -167.1 | 14.1 | 59.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 338 | S | 38.6 | Very low | 36 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | cis | -157.8 | -174 | 5 | 71.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 339 | S | 36.2 | Very low | 34.9 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | cis | -132 | -127.7 | -3.5 | 33.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 340 | S | 32.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 115.3 Ų | 115.3 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | cis | -166.7 | 148.3 | -7.7 | 44.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 341 | S | 32.3 | Very low | 33.9 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | cis | -151.8 | 165.9 | -5 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 342 | S | 32.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -108.2 | 145.6 | -164.2 | 56.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 343 | S | 32 | Very low | 33.9 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -160.4 | 162.2 | 139.7 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 344 | S | 31.4 | Very low | 34.2 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -158.6 | 128 | -168.1 | 56.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 345 | A | 30.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -158.7 | 146.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 346 | T | 31.2 | Very low | 34.2 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 151.7 | -178.3 | 48.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 347 | G | 31.1 | Very low | 34.7 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 118.1 | 144.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 348 | E | 30.7 | Very low | 34.5 | Very low | 211 Ų | 211 | 125.9 Ų | 125.9 | 99% | 0.986 | 79% | 0.794 | S | S | * | * | trans | 64.5 | 159.7 | 168.9 | -48.8 | -176.2 | 130.3 | 0 | 0 | 114.6 | ||||
| 349 | G | 27 | Very low | 34.5 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | -175.4 | 165 | -7.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 350 | D | 30.6 | Very low | 34.6 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 64.6 | 135.8 | 175.1 | -72.9 | -43.5 | 0 | 0 | 0 | 118.4 | ||||
| 351 | Q | 38.6 | Very low | 34.5 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | cis | 95 | 159.5 | 43.8 | -80.6 | -158.1 | 96.9 | 0 | 0 | 113.8 | ||||
| 352 | P | 46.6 | Very low | 34.7 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | cis | -136.8 | 173.4 | 10.4 | 42.3 | -24.7 | 0 | 0 | 0 | 118.7 | ||||
| 353 | L | 36 | Very low | 35.9 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 39.3 | 143.7 | 144.9 | -83.4 | 46.6 | 0 | 0 | 0 | 123.8 | ||||
| 354 | S | 40.2 | Very low | 35.8 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | cis | 114.4 | 139.8 | -3.5 | -165.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 355 | G | 30.3 | Very low | 35.7 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 132.4 | 142.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 356 | K | 38.4 | Very low | 35.6 | Very low | 208 Ų | 208 | 130.7 Ų | 130.7 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | cis | -154.8 | 175 | -3.8 | -107.5 | -158.7 | 166 | 177.6 | 0 | 110.7 | ||||
| 357 | P | 45 | Very low | 35.6 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -140.1 | -171.7 | -147.4 | 45.5 | -28.6 | 0 | 0 | 0 | 119.6 | ||||
| 358 | K | 33.8 | Very low | 35.5 | Very low | 192 Ų | 192 | 131.5 Ų | 131.5 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 87 | 124.6 | 151.3 | -148.9 | 170.7 | -177.5 | -178.4 | 0 | 117.5 | ||||
| 359 | L | 37.5 | Very low | 35.4 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | 77.4 | 137.5 | 53.6 | -138.8 | 83 | 0 | 0 | 0 | 113.3 | |||||
| 360 | A | 38.9 | Very low | 35.5 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | cis | -139.9 | -145.6 | 16.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 361 | D | 30.6 | Very low | 36.4 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | cis | -161.6 | -170.7 | 7.6 | -135.3 | -45.6 | 0 | 0 | 0 | 114.3 | ||||
| 362 | V | 35.9 | Very low | 36 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -149.3 | 172.7 | -162.4 | 151.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 363 | P | 57.9 | Low | 35.1 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -136.3 | -167.6 | 3 | 33.8 | -8.6 | 0 | 0 | 0 | 118.9 | ||||
| 364 | L | 30.3 | Very low | 35 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | 105.8 | 137.9 | 134.5 | -156.9 | 70.3 | 0 | 0 | 0 | 122.8 | ||||
| 365 | G | 28.3 | Very low | 34.4 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | 148.5 | 131.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 366 | T | 29.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -107.9 | 151.5 | 164.7 | 45.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 367 | D | 29.6 | Very low | 33.9 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | 175.6 | 178.9 | 110.9 | -106.6 | -72.6 | 0 | 0 | 0 | 115.7 | |||||
| 368 | A | 29.7 | Very low | 33.3 | Very low | 72 Ų | 72 | 133 Ų | 133 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | trans | -64.3 | 169.9 | -161 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 369 | Q | 27.9 | Very low | 34 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | 102.9 | 124.3 | 135.4 | -142.7 | 112.2 | -12.4 | 0 | 0 | 121.1 | ||||
| 370 | E | 30.5 | Very low | 33.6 | Very low | 172 Ų | 172 | 124.5 Ų | 124.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -87.6 | -174.9 | 156 | -122 | -156.1 | 119.5 | 0 | 0 | 110.1 | ||||
| 371 | P | 49.4 | Very low | 33.2 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | cis | -126.3 | -179.4 | -15.4 | 39.6 | -23.8 | 0 | 0 | 0 | 113.5 | ||||
| 372 | G | 29 | Very low | 33.3 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -163.8 | 148.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 373 | T | 28.2 | Very low | 33.2 | Very low | 132 Ų | 132 | 123 Ų | 123 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -171.4 | 164.9 | -174.3 | -99.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 374 | I | 33 | Very low | 32 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | 62.9 | 156.5 | -176.7 | 29.8 | 178.8 | 0 | 0 | 0 | 116.8 | ||||
| 375 | T | 28.8 | Very low | 32 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -154.5 | 151.3 | 13 | -10.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 376 | T | 28.1 | Very low | 32.4 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 33.1 | 129.7 | 136.6 | -58 | 0 | 0 | 0 | 0 | 124 | ||||
| 377 | T | 30 | Very low | 32.4 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | -158.5 | 139.9 | 121.2 | 19.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 378 | E | 31.5 | Very low | 32.4 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -99 | -169.4 | 161.6 | -124.3 | -148.2 | 110.9 | 0 | 0 | 108.7 | ||||
| 379 | P | 50.1 | Low | 32.5 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | cis | -136.4 | -172.2 | 9.3 | 43.5 | -25.8 | 0 | 0 | 0 | 115.8 | ||||
| 380 | G | 28 | Very low | 32.9 | Very low | 61 Ų | 61 | 127.5 Ų | 127.5 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | 165.5 | 64.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 381 | S | 31.1 | Very low | 33.7 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | 62.1 | 124.8 | 148 | -61.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 382 | A | 31.3 | Very low | 33.1 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 56.1 | 130.9 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 383 | S | 34.3 | Very low | 33.1 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | -164.4 | -167.1 | -4.5 | -73.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 384 | D | 32.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -157.9 | 174.9 | 7.2 | -142.6 | -67.9 | 0 | 0 | 0 | 112.6 | ||||
| 385 | S | 31.6 | Very low | 34.2 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -2.7 | 115.8 | 162 | -62.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 386 | Q | 36.1 | Very low | 34.4 | Very low | 199 Ų | 199 | 128.5 Ų | 128.5 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | -164.7 | 100.6 | 108.3 | -107.5 | 177.6 | 4.7 | 0 | 0 | 114.9 | |||||
| 387 | N | 30.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -5.3 | 117.2 | 151.7 | -172.6 | 59.1 | 0 | 0 | 0 | 120.1 | ||||
| 388 | N | 28.8 | Very low | 35.1 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | -168.2 | 151.5 | 106.1 | -157 | 26.7 | 0 | 0 | 0 | 111.5 | |||||
| 389 | S | 32.2 | Very low | 35.4 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -123.3 | 161.7 | -172.4 | -58.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 390 | E | 37.1 | Very low | 34.9 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -63.4 | 165.8 | 173.2 | -56.5 | 175.4 | 71.8 | 0 | 0 | 113.1 | ||||
| 391 | P | 45.9 | Very low | 35.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -144 | 171.3 | 90.3 | 40 | -25.4 | 0 | 0 | 0 | 116.7 | |||||
| 392 | H | 36.8 | Very low | 35.9 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -42.6 | 159.5 | 160.2 | -72.7 | -116.1 | 0 | 0 | 0 | 115 | ||||
| 393 | D | 30.2 | Very low | 36.3 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | -152.8 | 163.2 | 115.5 | -143 | -20.5 | 0 | 0 | 0 | 113.1 | |||||
| 394 | S | 39.7 | Very low | 36.5 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | trans | -95.3 | -172.3 | 161.7 | -54.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 395 | P | 43.4 | Very low | 36.8 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | -142.3 | 153.2 | 115.8 | 28.6 | -11.7 | 0 | 0 | 0 | 114.3 | |||||
| 396 | S | 33.5 | Very low | 37.3 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -92.8 | 165.3 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 397 | E | 36.2 | Very low | 37.7 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | 8.7 | 139.2 | 152.2 | -63 | 167.5 | 118.1 | 0 | 0 | 120.6 | ||||
| 398 | K | 37 | Very low | 38.5 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -143.8 | 114.2 | 133.7 | -128.5 | -165.3 | 175.3 | -168.7 | 0 | 113.1 | ||||
| 399 | S | 38.8 | Very low | 39.4 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | trans | -71.7 | -178 | 149.4 | 46.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 400 | D | 39.5 | Very low | 40.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | cis | -149.3 | 147.3 | 35.2 | -50.4 | -65.7 | 0 | 0 | 0 | 110.4 | ||||
| 401 | D | 38.8 | Very low | 40.9 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | 48.8 | 159.1 | 126.5 | -64 | -56.7 | 0 | 0 | 0 | 122.8 | |||||
| 402 | E | 41.3 | Very low | 40.7 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | cis | -157.1 | 160.3 | 4.2 | -132.8 | 177.8 | 156.4 | 0 | 0 | 111.1 | ||||
| 403 | Q | 38.7 | Very low | 40.9 | Very low | 158 Ų | 158 | 143 Ų | 143 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 50.4 | 157.1 | 146.2 | -75.8 | 170.9 | 29.5 | 0 | 0 | 121.9 | ||||
| 404 | D | 37.7 | Very low | 41.5 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | cis | -168.4 | -160.5 | -21.1 | -170.3 | 4.3 | 0 | 0 | 0 | 107.1 | ||||
| 405 | I | 39.8 | Very low | 41.6 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | 108 | 84.6 | 164.8 | -53.2 | 165.8 | 0 | 0 | 0 | 115.6 | ||||
| 406 | S | 42.1 | Very low | 41.5 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | 64.5 | 161 | 114.7 | -154 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 407 | A | 45.1 | Very low | 42 | Very low | 86 Ų | 86 | 148.8 Ų | 148.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 84.3 | 136 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 408 | M | 46.6 | Very low | 42.4 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | cis | -160.6 | 154.8 | -10.3 | -124.9 | 169.9 | 67.2 | 0 | 0 | 111 | V410 | M408-V410 HydrophobicContact CE-CG2 3.51Š| ||
| 409 | E | 46.8 | Very low | 42.8 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -88.9 | 125.1 | 163.2 | -74.2 | 177.1 | 102.4 | 0 | 0 | 110.9 | ||||
| 410 | V | 53.6 | Low | 43.2 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | trans | -158.7 | 131.8 | 163.1 | -165.7 | 0 | 0 | 0 | 0 | 105.3 | M408 | M408-V410 HydrophobicContact CE-CG2 3.51Š| ||
| 411 | E | 47.9 | Very low | 43.5 | Very low | 259 Ų | 259 | 150.3 Ų | 150.3 | 100% | 1.21 | 79% | 0.794 | S | S | * | * | cis | -137.7 | 0 | 2.7 | -136.3 | 171.1 | 131.7 | 0 | 0 | 109.9 |
Retrieved 411 of 411 residues in 51.8 ms
(Link to these results)