| 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 | 50.4 | Low | 45.3 | Very low | 244 Ų | 244 | 137 Ų | 137 | 100% | 1.202 | 81% | 0.813 | S | S | * | * | 0 | 100.5 | 0 | -84.9 | 170.5 | 159.2 | 0 | 0 | 105.4 | G3 | M1-G3 PolarHBondContact O-N 2.66Å; M1-G3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | D | 44.1 | Very low | 47.8 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -59.5 | 115.7 | -174.7 | -66.3 | -50.1 | 0 | 0 | 0 | 109.5 | S4 | D2-S4 PolarHBondContact O-N 3.26Š| ||
| 3 | G | 42.2 | Very low | 50 | Low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -70.2 | 86.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108 | M1 G5 | M1-G3 PolarHBondContact O-N 2.66Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-G5 PolarHBondContact O-N 2.87Å | ||
| 4 | S | 45.1 | Very low | 52.8 | Low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -63 | 86.6 | 159.9 | -56.3 | 0 | 0 | 0 | 0 | 107.1 | D2 E6 | D2-S4 PolarHBondContact O-N 3.26Å; S4-E6 VanDerWaalsContact C-N 3.29Å; S4-E6 PolarHBondContact O-N 3.47Å | ||
| 5 | G | 40.1 | Very low | 55.5 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | trans | -61.6 | 98.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | G3 Q7 | G3-G5 PolarHBondContact O-N 2.87Å; G5-Q7 VanDerWaalsContact C-N 3.27Å; G5-Q7 PolarHBondContact O-N 3.04Å | ||
| 6 | E | 36.8 | Very low | 58 | Low | 191 Ų | 191 | 110.9 Ų | 110.9 | 89% | 0.893 | 68% | 0.677 | S | S | * | * | trans | -53.5 | 100.2 | 158.5 | -97.3 | 169.7 | 95.1 | 0 | 0 | 106.8 | S4 | S4-E6 VanDerWaalsContact C-N 3.29Å; S4-E6 PolarHBondContact O-N 3.47Å | ||
| 7 | Q | 40 | Very low | 60.1 | Low | 172 Ų | 172 | 113.7 Ų | 113.7 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -51.5 | 125.4 | 159.1 | -89.9 | 178.8 | -54.3 | 0 | 0 | 105.9 | G5 R9 | G5-Q7 VanDerWaalsContact C-N 3.27Å; G5-Q7 PolarHBondContact O-N 3.04Å; Q7-R9 PolarHBondContact O-N 3.07Å | ||
| 8 | P | 42.9 | Very low | 61.9 | Low | 120 Ų | 120 | 110.4 Ų | 110.4 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | trans | -57 | 118 | 172.6 | 22.6 | -27.6 | 0 | 0 | 0 | 105.1 | G10 | P8-G10 PolarHBondContact O-N 3.5Š| ||
| 9 | R | 48.3 | Very low | 63.6 | Low | 248 Ų | 248 | 104.6 Ų | 104.6 | 94% | 0.936 | 62% | 0.623 | S | S | * | * | trans | -55.9 | 92 | 176.7 | -82.5 | 179.4 | 163.3 | 173.7 | -3.7 | 106.5 | Q7 G11 | Q7-R9 PolarHBondContact O-N 3.07Å; R9-G11 PolarHBondContact O-N 3.3Å | ||
| 10 | G | 48.8 | Very low | 65.2 | Low | 71 Ų | 71 | 100.6 Ų | 100.6 | 73% | 0.732 | 60% | 0.598 | S | S | * | * | trans | -53.1 | 112.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | P8 G12 | P8-G10 PolarHBondContact O-N 3.5Å; G10-G12 PolarHBondContact O-N 3.12Å; G10-G12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | G | 59.7 | Low | 66.6 | Low | 43 Ų | 43 | 101.2 Ų | 101.2 | 44% | 0.443 | 59% | 0.593 | S | S | . | * | trans | -53.2 | 125.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | R9 S15 | R9-G11 PolarHBondContact O-N 3.3Å; G11-S15 VanDerWaalsContact CA-CB 3.45Å; G11-S15 WeakPolarHBondContact CA-OG 3.43Å; G11-S15 PolarHBondContact O-OG 3.04Å | ||
| 12 | G | 75.8 | Confident | 68.6 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 38% | 0.381 | 54% | 0.539 | S | S | . | . | trans | -55.7 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G10 T14 S15 | G10-G12 PolarHBondContact O-N 3.12Å; G10-G12 VanDerWaalsContact O-N 3.14Å; G12-T14 PolarHBondContact O-N 3.43Å; G12-S15 VanDerWaalsContact O-CB 3.29Å; G12-S15 WeakPolarHBondContact O-CB 3.3Å; G12-S15 PolarHBondContact O-N 2.94Å; G12-S15 PolarHBondContact O-OG 3.48Å | ||
| 13 | P | 76.4 | Confident | 71 | Confident | 94 Ų | 94 | 82.4 Ų | 82.4 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20.1 | 179.1 | 23.2 | -33.4 | 0 | 0 | 0 | 113.5 | ||
| 14 | T | 88.6 | Confident | 73.5 | Confident | 60 Ų | 60 | 80 Ų | 80 | 37% | 0.368 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.3 | 177.6 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | G12 I19 Q153 G156 | G12-T14 PolarHBondContact O-N 3.43Å; T14-I19 WeakPolarHBondContact O-CD1 3.34Å; T14-Q153 WeakPolarHBondContact O-CG 3.33Å; T14-Q153 PolarHBondContact O-NE2 2.99Å; T14-G156 VanDerWaalsContact CG2-C 3.46Å; T14-G156 WeakPolarHBondContact CG2-O 3.42Å |
| 15 | S | 93.6 | Very high | 75.8 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -66.8 | 145.2 | 175.8 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | G11 G12 E17 Q18 I19 | G11-S15 VanDerWaalsContact CA-CB 3.45Å; G11-S15 WeakPolarHBondContact CA-OG 3.43Å; G11-S15 PolarHBondContact O-OG 3.04Å; G12-S15 VanDerWaalsContact O-CB 3.29Å; G12-S15 WeakPolarHBondContact O-CB 3.3Å; G12-S15 PolarHBondContact O-N 2.94Å; G12-S15 PolarHBondContact O-OG 3.48Å; S15-E17 PolarHBondContact O-N 3.19Å; S15-Q18 PolarHBondContact O-N 3.47Å; S15-Q18 VanDerWaalsContact O-N 3.13Å; S15-Q18 VanDerWaalsContact OG-CB 3.23Å; S15-Q18 WeakPolarHBondContact OG-CB 3.42Å; S15-Q18 PolarHBondContact OG-N 3.4Å; S15-I19 WeakPolarHBondContact O-CG1 3.28Å; S15-I19 PolarHBondContact O-N 3.09Å |
| 16 | S | 94.9 | Very high | 78.3 | Confident | 50 Ų | 50 | 72.4 Ų | 72.4 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | -178.5 | -53 | 0 | 0 | 0 | 0 | 112.1 | I19 M20 Q153 | S16-I19 PolarHBondContact O-N 3.13Å; S16-M20 WeakPolarHBondContact O-CB 3.49Å; S16-M20 WeakPolarHBondContact O-CG 3.43Å; S16-M20 PolarHBondContact O-N 3.26Å; S16-Q153 PolarHBondContact OG-NE2 3.42Å; S16-Q153 VanDerWaalsContact OG-NE2 3.13Å |
| 17 | E | 93.7 | Very high | 81.1 | Confident | 159 Ų | 159 | 63.3 Ų | 63.3 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.5 | -47.4 | 175.9 | -171 | -179.1 | 171.8 | 0 | 0 | 111.6 | S15 M20 K21 | S15-E17 PolarHBondContact O-N 3.19Å; E17-M20 PolarHBondContact O-N 2.97Å; E17-K21 VanDerWaalsContact O-CB 3.28Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 PolarHBondContact O-N 2.92Å |
| 18 | Q | 92 | Very high | 83.5 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 179.3 | -173.2 | 64 | 9.1 | 0 | 0 | 111.7 | S15 M20 K21 T22 | S15-Q18 PolarHBondContact O-N 3.47Å; S15-Q18 VanDerWaalsContact O-N 3.13Å; S15-Q18 VanDerWaalsContact OG-CB 3.23Å; S15-Q18 WeakPolarHBondContact OG-CB 3.42Å; S15-Q18 PolarHBondContact OG-N 3.4Å; Q18-M20 PolarHBondContact O-N 3.35Å; Q18-K21 PolarHBondContact O-N 3.44Å; Q18-T22 WeakPolarHBondContact O-CB 3.35Å; Q18-T22 PolarHBondContact O-N 2.99Å; Q18-T22 PolarHBondContact O-OG1 3.3Å; Q18-T22 VanDerWaalsContact O-OG1 3.11Å |
| 19 | I | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.8 | -71.6 | 166.1 | 0 | 0 | 0 | 110.9 | T14 S15 S16 G23 L149 I152 Q153 W158 | T14-I19 WeakPolarHBondContact O-CD1 3.34Å; S15-I19 WeakPolarHBondContact O-CG1 3.28Å; S15-I19 PolarHBondContact O-N 3.09Å; S16-I19 PolarHBondContact O-N 3.13Å; I19-G23 PolarHBondContact O-N 3.07Å; I19-L149 HydrophobicContact CB-CD1 3.95Å; I19-L149 HydrophobicContact CD1-CD1 4.22Å; I19-L149 HydrophobicContact CG2-CD1 3.62Å; I19-I152 HydrophobicContact CD1-CB 4.5Å; I19-I152 HydrophobicContact CD1-CG2 3.91Å; I19-I152 HydrophobicContact CG1-CG2 4.04Å; I19-I152 HydrophobicContact CG2-CB 4.25Å; I19-I152 HydrophobicContact CG2-CD1 4.33Å; I19-I152 HydrophobicContact CG2-CG2 3.77Å; I19-Q153 HydrophobicContact CD1-CB 4.29Å; I19-Q153 HydrophobicContact CD1-CG 3.28Å; I19-W158 PolarHBondContact O-NE1 3.26Å |
| 20 | M | 95.8 | Very high | 87.8 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 178.3 | -72.2 | -52.7 | -56.2 | 0 | 0 | 111.7 | S16 E17 Q18 G23 A24 L141 L144 R145 | S16-M20 WeakPolarHBondContact O-CB 3.49Å; S16-M20 WeakPolarHBondContact O-CG 3.43Å; S16-M20 PolarHBondContact O-N 3.26Å; E17-M20 PolarHBondContact O-N 2.97Å; Q18-M20 PolarHBondContact O-N 3.35Å; M20-G23 PolarHBondContact O-N 3.38Å; M20-A24 PolarHBondContact O-N 3.46Å; M20-L141 HydrophobicContact CE-CB 4.04Å; M20-L141 HydrophobicContact CE-CD2 4.27Å; M20-L141 VanDerWaalsContact CE-O 3.25Å; M20-L141 WeakPolarHBondContact CE-O 3.34Å; M20-L144 HydrophobicContact CE-CB 4.48Å; M20-L144 HydrophobicContact CE-CD2 3.98Å; M20-L144 HydrophobicContact CE-CG 4.28Å; M20-L144 HydrophobicContact SD-CB 4.49Å; M20-L144 HydrophobicContact SD-CD2 3.85Å; M20-L144 HydrophobicContact SD-CG 3.83Å; M20-R145 HydrophobicContact CE-CB 3.97Å; M20-R145 HydrophobicContact SD-CB 3.86Å; M20-R145 HydrophobicContact SD-CG 4.38Å |
| 21 | K | 93 | Very high | 89.7 | Confident | 114 Ų | 114 | 36 Ų | 36 | 50% | 0.496 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.9 | -51.3 | 175.7 | -178.2 | 179.8 | 177.8 | -178.6 | 0 | 111 | E17 Q18 G23 A24 L25 | E17-K21 VanDerWaalsContact O-CB 3.28Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 PolarHBondContact O-N 2.92Å; Q18-K21 PolarHBondContact O-N 3.44Å; K21-G23 VanDerWaalsContact C-N 3.34Å; K21-G23 PolarHBondContact O-N 3.38Å; K21-A24 PolarHBondContact O-N 3.23Å; K21-L25 HydrophobicContact CG-CD1 4.23Å; K21-L25 VanDerWaalsContact O-CG 3.31Å; K21-L25 WeakPolarHBondContact O-CG 3.45Å; K21-L25 PolarHBondContact O-N 2.99Å |
| 22 | T | 93.6 | Very high | 91.1 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | Q18 A24 L25 L26 L59 W158 | Q18-T22 WeakPolarHBondContact O-CB 3.35Å; Q18-T22 PolarHBondContact O-N 2.99Å; Q18-T22 PolarHBondContact O-OG1 3.3Å; Q18-T22 VanDerWaalsContact O-OG1 3.11Å; T22-A24 VanDerWaalsContact C-N 3.34Å; T22-A24 PolarHBondContact O-N 3Å; T22-L25 PolarHBondContact O-N 2.76Å; T22-L26 HydrophobicContact CG2-CD1 3.86Å; T22-L26 HydrophobicContact CG2-CG 4.08Å; T22-L26 WeakPolarHBondContact O-CB 3.49Å; T22-L26 VanDerWaalsContact O-CG 3.25Å; T22-L26 WeakPolarHBondContact O-CG 3.38Å; T22-L26 PolarHBondContact O-N 3.21Å; T22-L59 HydrophobicContact CG2-CD1 4.21Å; T22-W158 VanDerWaalsContact CB-CD1 3.49Å; T22-W158 HydrophobicContact CG2-CB 4.01Å; T22-W158 VanDerWaalsContact CG2-CD1 3.44Å; T22-W158 HydrophobicContact CG2-CD2 4.31Å; T22-W158 HydrophobicContact CG2-CG 3.66Å |
| 23 | G | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I19 M20 K21 L26 L27 F114 | I19-G23 PolarHBondContact O-N 3.07Å; M20-G23 PolarHBondContact O-N 3.38Å; K21-G23 VanDerWaalsContact C-N 3.34Å; K21-G23 PolarHBondContact O-N 3.38Å; G23-L26 PolarHBondContact O-N 2.99Å; G23-L27 WeakPolarHBondContact O-CB 3.16Å; G23-L27 PolarHBondContact O-N 3.45Å; G23-F114 WeakPolarHBondContact O-CE1 3.27Å |
| 24 | A | 93.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 24% | 0.24 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M20 K21 T22 L26 L27 Q28 L141 | M20-A24 PolarHBondContact O-N 3.46Å; K21-A24 PolarHBondContact O-N 3.23Å; T22-A24 VanDerWaalsContact C-N 3.34Å; T22-A24 PolarHBondContact O-N 3Å; A24-L26 PolarHBondContact O-N 3.38Å; A24-L27 PolarHBondContact O-N 3.41Å; A24-Q28 VanDerWaalsContact O-CB 3.25Å; A24-Q28 WeakPolarHBondContact O-CB 3.26Å; A24-Q28 PolarHBondContact O-N 3.35Å; A24-L141 HydrophobicContact CB-CD1 3.92Å; A24-L141 HydrophobicContact CB-CD2 4.04Å |
| 25 | L | 92.5 | Very high | 92 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 178.2 | -68.3 | 175.5 | 0 | 0 | 0 | 112.5 | K21 T22 G29 V50 T56 | K21-L25 HydrophobicContact CG-CD1 4.23Å; K21-L25 VanDerWaalsContact O-CG 3.31Å; K21-L25 WeakPolarHBondContact O-CG 3.45Å; K21-L25 PolarHBondContact O-N 2.99Å; T22-L25 PolarHBondContact O-N 2.76Å; L25-G29 PolarHBondContact O-N 3.35Å; L25-V50 HydrophobicContact CD2-CB 3.56Å; L25-V50 HydrophobicContact CD2-CG1 3.95Å; L25-V50 HydrophobicContact CD2-CG2 3.93Å; L25-T56 HydrophobicContact CB-CG2 4.16Å; L25-T56 HydrophobicContact CD1-CG2 4.37Å |
| 26 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 177.5 | -70 | 177.2 | 0 | 0 | 0 | 111.1 | T22 G23 A24 G29 F30 T56 L59 L63 F114 W158 | T22-L26 HydrophobicContact CG2-CD1 3.86Å; T22-L26 HydrophobicContact CG2-CG 4.08Å; T22-L26 WeakPolarHBondContact O-CB 3.49Å; T22-L26 VanDerWaalsContact O-CG 3.25Å; T22-L26 WeakPolarHBondContact O-CG 3.38Å; T22-L26 PolarHBondContact O-N 3.21Å; G23-L26 PolarHBondContact O-N 2.99Å; A24-L26 PolarHBondContact O-N 3.38Å; L26-G29 PolarHBondContact O-N 2.84Å; L26-F30 WeakPolarHBondContact O-CB 3.39Å; L26-F30 PolarHBondContact O-N 3.33Å; L26-T56 HydrophobicContact CD2-CG2 4.22Å; L26-L59 HydrophobicContact CD1-CB 4.32Å; L26-L59 HydrophobicContact CD1-CD1 4.49Å; L26-L59 HydrophobicContact CD2-CB 3.51Å; L26-L63 HydrophobicContact CB-CD1 3.81Å; L26-L63 HydrophobicContact CD1-CD1 4.24Å; L26-L63 HydrophobicContact CD2-CD1 4Å; L26-L63 HydrophobicContact CG-CD1 4.22Å; L26-F114 HydrophobicContact CB-CE1 4.08Å; L26-W158 HydrophobicContact CD1-CD2 3.84Å; L26-W158 HydrophobicContact CD1-CE3 3.62Å; L26-W158 HydrophobicContact CD1-CG 4.37Å; L26-W158 HydrophobicContact CD1-CH2 4.48Å; L26-W158 HydrophobicContact CD1-CZ3 3.97Å |
| 27 | L | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 178.7 | -177.3 | 61.4 | 0 | 0 | 0 | 111.3 | G23 A24 F30 I31 F114 A117 M137 T140 | G23-L27 WeakPolarHBondContact O-CB 3.16Å; G23-L27 PolarHBondContact O-N 3.45Å; A24-L27 PolarHBondContact O-N 3.41Å; L27-F30 PolarHBondContact O-N 3.47Å; L27-I31 HydrophobicContact CD1-CD1 3.98Å; L27-I31 HydrophobicContact CD1-CG1 4.43Å; L27-I31 HydrophobicContact CG-CD1 3.87Å; L27-I31 WeakPolarHBondContact O-CD1 3.31Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.36Å; L27-I31 PolarHBondContact O-N 3.48Å; L27-F114 HydrophobicContact CB-CD1 4.08Å; L27-F114 HydrophobicContact CB-CE1 3.84Å; L27-F114 HydrophobicContact CD1-CD1 4.14Å; L27-F114 HydrophobicContact CD1-CG 4.44Å; L27-A117 HydrophobicContact CD1-CB 4.17Å; L27-M137 HydrophobicContact CD2-CB 4.18Å; L27-M137 HydrophobicContact CD2-CE 4.45Å; L27-M137 HydrophobicContact CD2-CG 4.05Å; L27-M137 HydrophobicContact CG-CE 4.47Å; L27-T140 HydrophobicContact CD1-CG2 4.35Å; L27-T140 HydrophobicContact CD2-CG2 3.71Å |
| 28 | Q | 91.1 | Very high | 90 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.2 | -52.1 | 177.1 | 176 | -176.2 | -8.7 | 0 | 0 | 111.4 | A24 F30 I31 Q32 L47 E48 M137 | A24-Q28 VanDerWaalsContact O-CB 3.25Å; A24-Q28 WeakPolarHBondContact O-CB 3.26Å; A24-Q28 PolarHBondContact O-N 3.35Å; Q28-F30 PolarHBondContact O-N 2.92Å; Q28-I31 PolarHBondContact O-N 2.93Å; Q28-Q32 HydrophobicContact CG-CG 4.47Å; Q28-Q32 WeakPolarHBondContact O-CB 3.23Å; Q28-Q32 WeakPolarHBondContact O-CG 3.26Å; Q28-Q32 PolarHBondContact O-N 3.31Å; Q28-L47 HydrophobicContact CB-CD1 4.35Å; Q28-L47 VanDerWaalsContact CD-CB 3.45Å; Q28-L47 HydrophobicContact CG-CB 4.02Å; Q28-L47 HydrophobicContact CG-CD1 3.71Å; Q28-L47 PolarHBondContact NE2-O 3.42Å; Q28-L47 VanDerWaalsContact NE2-O 3.08Å; Q28-E48 PolarHBondContact NE2-O 3.17Å; Q28-M137 HydrophobicContact CB-CE 4.04Å |
| 29 | G | 89.7 | Confident | 88.6 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -34.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L25 L26 D33 | L25-G29 PolarHBondContact O-N 3.35Å; L26-G29 PolarHBondContact O-N 2.84Å; G29-D33 WeakPolarHBondContact O-CB 3.37Å; G29-D33 PolarHBondContact O-N 2.92Å |
| 30 | F | 91 | Very high | 86.8 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.7 | -41.5 | 178.1 | -166.5 | -143.8 | 0 | 0 | 0 | 112.6 | L26 L27 Q28 R34 L63 Y115 | L26-F30 WeakPolarHBondContact O-CB 3.39Å; L26-F30 PolarHBondContact O-N 3.33Å; L27-F30 PolarHBondContact O-N 3.47Å; Q28-F30 PolarHBondContact O-N 2.92Å; F30-R34 PolarHBondContact O-N 2.92Å; F30-L63 HydrophobicContact CD2-CB 4.31Å; F30-L63 HydrophobicContact CE2-CB 4.43Å; F30-L63 VanDerWaalsContact CE2-O 3.24Å; F30-L63 WeakPolarHBondContact CE2-O 3.32Å; F30-Y115 HydrophobicContact CE1-CD2 4.12Å; F30-Y115 AromaticContact CZ-CD2 3.95Å; F30-Y115 HydrophobicContact CZ-CD2 3.95Å |
| 31 | I | 90.4 | Very high | 84.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -48.6 | 173.9 | -69.2 | 162.7 | 0 | 0 | 0 | 110.5 | L27 Q28 D33 R34 A35 L45 V121 M137 | L27-I31 HydrophobicContact CD1-CD1 3.98Å; L27-I31 HydrophobicContact CD1-CG1 4.43Å; L27-I31 HydrophobicContact CG-CD1 3.87Å; L27-I31 WeakPolarHBondContact O-CD1 3.31Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.36Å; L27-I31 PolarHBondContact O-N 3.48Å; Q28-I31 PolarHBondContact O-N 2.93Å; I31-D33 VanDerWaalsContact C-N 3.34Å; I31-D33 PolarHBondContact O-N 3.13Å; I31-R34 PolarHBondContact O-N 3.16Å; I31-A35 WeakPolarHBondContact O-CB 3.33Å; I31-A35 PolarHBondContact O-N 2.97Å; I31-L45 HydrophobicContact CG2-CD1 3.79Å; I31-L45 HydrophobicContact CG2-CD2 3.71Å; I31-L45 HydrophobicContact CG2-CG 4.44Å; I31-V121 HydrophobicContact CD1-CB 4.22Å; I31-V121 HydrophobicContact CD1-CG1 4.14Å; I31-V121 HydrophobicContact CD1-CG2 3.93Å; I31-V121 HydrophobicContact CG1-CB 4.37Å; I31-V121 HydrophobicContact CG1-CG1 4.28Å; I31-V121 HydrophobicContact CG2-CB 4.37Å; I31-V121 HydrophobicContact CG2-CG1 3.49Å; I31-V121 VanDerWaalsContact CG2-CG1 3.49Å; I31-M137 HydrophobicContact CD1-CE 4.47Å; I31-M137 HydrophobicContact CD1-CG 3.82Å; I31-M137 HydrophobicContact CD1-SD 3.97Å |
| 32 | Q | 87.7 | Confident | 83.3 | Confident | 51 Ų | 51 | 39.5 Ų | 39.5 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | -179.2 | -75.6 | 179.5 | -15.9 | 0 | 0 | 111.9 | Q28 R34 A35 G36 L45 L47 | Q28-Q32 HydrophobicContact CG-CG 4.47Å; Q28-Q32 WeakPolarHBondContact O-CB 3.23Å; Q28-Q32 WeakPolarHBondContact O-CG 3.26Å; Q28-Q32 PolarHBondContact O-N 3.31Å; Q32-R34 VanDerWaalsContact C-N 3.33Å; Q32-R34 PolarHBondContact O-N 3.47Å; Q32-A35 PolarHBondContact O-N 3.13Å; Q32-G36 PolarHBondContact O-N 2.95Å; Q32-L45 HydrophobicContact CB-CD1 4.46Å; Q32-L45 HydrophobicContact CG-CB 4.21Å; Q32-L45 HydrophobicContact CG-CD1 3.86Å; Q32-L45 PolarHBondContact NE2-O 2.91Å; Q32-L47 PolarHBondContact NE2-O 2.85Å |
| 33 | D | 88 | Confident | 81.6 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -47.2 | 175.6 | -172.4 | 83.7 | 0 | 0 | 0 | 111.8 | G29 I31 R37 K64 | G29-D33 WeakPolarHBondContact O-CB 3.37Å; G29-D33 PolarHBondContact O-N 2.92Å; I31-D33 VanDerWaalsContact C-N 3.34Å; I31-D33 PolarHBondContact O-N 3.13Å; D33-R37 WeakPolarHBondContact O-CG 3.46Å; D33-R37 PolarHBondContact O-N 2.93Å; D33-R37 IonicContact OD2-CZ 3.46Å; D33-R37 IonicContact OD2-NE 3.14Å; D33-R37 PolarHBondContact OD2-NE 3.18Å; D33-R37 VanDerWaalsContact OD2-NE 3.14Å; D33-R37 IonicContact OD2-NH2 3.04Å; D33-R37 PolarHBondContact OD2-NH2 2.98Å; D33-K64 HydrophobicContact CB-CD 4.3Å; D33-K64 HydrophobicContact CB-CG 4.25Å; D33-K64 VanDerWaalsContact OD1-CD 3.31Å; D33-K64 WeakPolarHBondContact OD1-CD 3.25Å; D33-K64 WeakPolarHBondContact OD1-CE 3.38Å; D33-K64 IonicContact OD1-NZ 2.74Å; D33-K64 PolarHBondContact OD1-NZ 2.7Å |
| 34 | R | 87.8 | Confident | 80 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -76.6 | -34.8 | -176.8 | -65 | -66.6 | 159.3 | 89.5 | 4.7 | 113.3 | F30 I31 Q32 R37 M38 K64 G67 D68 D71 L122 | F30-R34 PolarHBondContact O-N 2.92Å; I31-R34 PolarHBondContact O-N 3.16Å; Q32-R34 VanDerWaalsContact C-N 3.33Å; Q32-R34 PolarHBondContact O-N 3.47Å; R34-R37 PolarHBondContact O-N 2.77Å; R34-M38 PolarHBondContact O-N 3.21Å; R34-K64 PolarHBondContact NH2-O 3.06Å; R34-G67 VanDerWaalsContact CZ-C 3.47Å; R34-G67 PolarHBondContact NH1-O 3.38Å; R34-D68 IonicContact CZ-OD1 3.34Å; R34-D68 IonicContact NE-OD1 3.32Å; R34-D68 IonicContact NH2-OD1 2.64Å; R34-D68 PolarHBondContact NH2-OD1 2.66Å; R34-D71 IonicContact CZ-OD2 3.74Å; R34-D71 IonicContact NE-OD2 2.73Å; R34-D71 VanDerWaalsContact NH1-CG 3.34Å; R34-D71 IonicContact NH1-OD1 3.69Å; R34-D71 IonicContact NH1-OD2 3.53Å; R34-D71 PolarHBondContact NH1-OD2 3.5Å; R34-L122 HydrophobicContact CB-CD1 3.55Å; R34-L122 HydrophobicContact CB-CD2 4.03Å; R34-L122 HydrophobicContact CB-CG 4.4Å; R34-L122 HydrophobicContact CG-CD1 4.4Å |
| 35 | A | 85.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | I31 Q32 R37 M38 T42 L45 L122 L125 | I31-A35 WeakPolarHBondContact O-CB 3.33Å; I31-A35 PolarHBondContact O-N 2.97Å; Q32-A35 PolarHBondContact O-N 3.13Å; A35-R37 VanDerWaalsContact C-N 3.26Å; A35-R37 PolarHBondContact O-N 3.28Å; A35-M38 PolarHBondContact O-N 2.9Å; A35-T42 HydrophobicContact CB-CG2 4.3Å; A35-L45 HydrophobicContact CB-CD1 3.58Å; A35-L122 HydrophobicContact CB-CD2 3.83Å; A35-L125 HydrophobicContact CB-CD1 4.06Å |
| 36 | G | 83.2 | Confident | 76.9 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -34.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q32 M38 G39 | Q32-G36 PolarHBondContact O-N 2.95Å; G36-M38 VanDerWaalsContact C-N 3.29Å; G36-M38 PolarHBondContact O-N 3.41Å; G36-G39 PolarHBondContact O-N 3.42Å |
| 37 | R | 80.8 | Confident | 75.3 | Confident | 137 Ų | 137 | 52.4 Ų | 52.4 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.4 | -22.4 | 175 | -67.5 | 178.5 | -166.3 | -150.3 | 8 | 113.9 | D33 R34 A35 G39 D68 | D33-R37 WeakPolarHBondContact O-CG 3.46Å; D33-R37 PolarHBondContact O-N 2.93Å; D33-R37 IonicContact OD2-CZ 3.46Å; D33-R37 IonicContact OD2-NE 3.14Å; D33-R37 PolarHBondContact OD2-NE 3.18Å; D33-R37 VanDerWaalsContact OD2-NE 3.14Å; D33-R37 IonicContact OD2-NH2 3.04Å; D33-R37 PolarHBondContact OD2-NH2 2.98Å; R34-R37 PolarHBondContact O-N 2.77Å; A35-R37 VanDerWaalsContact C-N 3.26Å; A35-R37 PolarHBondContact O-N 3.28Å; R37-G39 PolarHBondContact O-N 2.97Å; R37-D68 IonicContact CZ-OD1 3.22Å; R37-D68 IonicContact CZ-OD2 3.63Å; R37-D68 VanDerWaalsContact NH1-CG 3.31Å; R37-D68 IonicContact NH1-OD1 2.83Å; R37-D68 PolarHBondContact NH1-OD1 3.4Å; R37-D68 IonicContact NH1-OD2 3.24Å; R37-D68 PolarHBondContact NH1-OD2 2.94Å; R37-D68 IonicContact NH2-OD1 3.07Å; R37-D68 PolarHBondContact NH2-OD1 3.17Å; R37-D68 IonicContact NH2-OD2 3.06Å; R37-D68 PolarHBondContact NH2-OD2 3.47Å |
| 38 | M | 76.3 | Confident | 73.4 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 50% | 0.502 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.9 | 175.4 | -68.9 | -162.4 | -59.6 | 0 | 0 | 113.4 | R34 A35 G36 L122 | R34-M38 PolarHBondContact O-N 3.21Å; A35-M38 PolarHBondContact O-N 2.9Å; G36-M38 VanDerWaalsContact C-N 3.29Å; G36-M38 PolarHBondContact O-N 3.41Å; M38-L122 HydrophobicContact CE-CB 3.95Å; M38-L122 HydrophobicContact CE-CD2 3.62Å; M38-L122 HydrophobicContact CE-CG 4.31Å |
| 39 | G | 61.1 | Low | 71.8 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 77% | 0.773 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 23.9 | 167 | 0 | 0 | 0 | 0 | 0 | 115.5 | G36 R37 | G36-G39 PolarHBondContact O-N 3.42Å; R37-G39 PolarHBondContact O-N 2.97Å |
| 40 | G | 58.7 | Low | 70.7 | Confident | 38 Ų | 38 | 70 Ų | 70 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -133.3 | 133 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T42 | G40-T42 PolarHBondContact O-N 2.74Å; G40-T42 PolarHBondContact O-OG1 3.36Å |
| 41 | E | 54.9 | Low | 69.3 | Low | 197 Ų | 197 | 75.7 Ų | 75.7 | 92% | 0.921 | 44% | 0.439 | S | S | * | . | trans | -52.6 | 118.3 | 154.8 | -69.8 | -175.8 | 136.9 | 0 | 0 | 105.9 | P43 | E41-P43 WeakPolarHBondContact O-CD 3.42Š| ||
| 42 | T | 59.7 | Low | 68.5 | Low | 43 Ų | 43 | 77.8 Ų | 77.8 | 26% | 0.264 | 45% | 0.449 | S | S | . | . | trans | -102.7 | 77.2 | -177.7 | 5.9 | 0 | 0 | 0 | 0 | 107.8 | A35 G40 E44 L45 L125 | A35-T42 HydrophobicContact CB-CG2 4.3Å; G40-T42 PolarHBondContact O-N 2.74Å; G40-T42 PolarHBondContact O-OG1 3.36Å; T42-E44 PolarHBondContact O-N 3.38Å; T42-E44 VanDerWaalsContact O-N 3.1Å; T42-L45 PolarHBondContact O-N 3.16Å; T42-L125 HydrophobicContact CG2-CD1 4.15Å; T42-L125 HydrophobicContact CG2-CD2 3.73Å | ||
| 43 | P | 58 | Low | 68.4 | Low | 109 Ų | 109 | 78.8 Ų | 78.8 | 71% | 0.708 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -61 | -19.6 | 177.8 | 25 | -33.4 | 0 | 0 | 0 | 111.9 | E41 L45 G46 | E41-P43 WeakPolarHBondContact O-CD 3.42Å; P43-L45 PolarHBondContact O-N 3.45Å; P43-G46 WeakPolarHBondContact O-CA 3.29Å; P43-G46 PolarHBondContact O-N 3.45Å |
| 44 | E | 60.9 | Low | 68.3 | Low | 87 Ų | 87 | 80.8 Ų | 80.8 | 41% | 0.407 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -64.1 | -23.4 | 173.9 | -55.9 | -155.3 | 144.9 | 0 | 0 | 113.1 | T42 G46 L125 P130 I133 | T42-E44 PolarHBondContact O-N 3.38Å; T42-E44 VanDerWaalsContact O-N 3.1Å; E44-G46 PolarHBondContact O-N 3.25Å; E44-L125 HydrophobicContact CB-CD2 4.17Å; E44-P130 HydrophobicContact CB-CB 4.27Å; E44-P130 HydrophobicContact CG-CB 4.35Å; E44-P130 WeakPolarHBondContact OE1-CG 3.25Å; E44-P130 WeakPolarHBondContact OE2-CB 3.48Å; E44-I133 HydrophobicContact CB-CD1 4.22Å |
| 45 | L | 65 | Low | 68.3 | Low | 8 Ų | 8 | 82.6 Ų | 82.6 | 4% | 0.042 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -86.9 | 28.5 | 169.9 | -63 | 177.6 | 0 | 0 | 0 | 112.1 | I31 Q32 A35 T42 P43 L47 L125 I133 | I31-L45 HydrophobicContact CG2-CD1 3.79Å; I31-L45 HydrophobicContact CG2-CD2 3.71Å; I31-L45 HydrophobicContact CG2-CG 4.44Å; Q32-L45 HydrophobicContact CB-CD1 4.46Å; Q32-L45 HydrophobicContact CG-CB 4.21Å; Q32-L45 HydrophobicContact CG-CD1 3.86Å; Q32-L45 PolarHBondContact NE2-O 2.91Å; A35-L45 HydrophobicContact CB-CD1 3.58Å; T42-L45 PolarHBondContact O-N 3.16Å; P43-L45 PolarHBondContact O-N 3.45Å; L45-L47 WeakPolarHBondContact O-CB 3.49Å; L45-L47 PolarHBondContact O-N 2.91Å; L45-L125 HydrophobicContact CD1-CD1 4.37Å; L45-L125 HydrophobicContact CG-CD1 4.47Å; L45-I133 HydrophobicContact CD2-CD1 4.18Å; L45-I133 HydrophobicContact CD2-CG2 3.72Å |
| 46 | G | 57.2 | Low | 68.5 | Low | 65 Ų | 65 | 82.6 Ų | 82.6 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | trans | -56.4 | 25.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | P43 E44 E48 | P43-G46 WeakPolarHBondContact O-CA 3.29Å; P43-G46 PolarHBondContact O-N 3.45Å; E44-G46 PolarHBondContact O-N 3.25Å; G46-E48 PolarHBondContact O-N 3.48Å | ||
| 47 | L | 60.1 | Low | 68.9 | Low | 57 Ų | 57 | 85.7 Ų | 85.7 | 30% | 0.298 | 49% | 0.491 | S | S | . | . | trans | -64 | 112.5 | 159.8 | -53.1 | 171.1 | 0 | 0 | 0 | 107.8 | Q28 Q32 L45 Q49 M137 | Q28-L47 HydrophobicContact CB-CD1 4.35Å; Q28-L47 VanDerWaalsContact CD-CB 3.45Å; Q28-L47 HydrophobicContact CG-CB 4.02Å; Q28-L47 HydrophobicContact CG-CD1 3.71Å; Q28-L47 PolarHBondContact NE2-O 3.42Å; Q28-L47 VanDerWaalsContact NE2-O 3.08Å; Q32-L47 PolarHBondContact NE2-O 2.85Å; L45-L47 WeakPolarHBondContact O-CB 3.49Å; L45-L47 PolarHBondContact O-N 2.91Å; L47-Q49 PolarHBondContact O-N 3.42Å; L47-M137 HydrophobicContact CD1-CE 3.75Å; L47-M137 HydrophobicContact CD1-SD 3.74Å | ||
| 48 | E | 55.7 | Low | 69.4 | Low | 167 Ų | 167 | 85.3 Ų | 85.3 | 78% | 0.78 | 49% | 0.493 | S | S | * | . | trans | -44.9 | 136.5 | 177.2 | -74.9 | 172.9 | 115.3 | 0 | 0 | 110.6 | Q28 G46 V50 | Q28-E48 PolarHBondContact NE2-O 3.17Å; G46-E48 PolarHBondContact O-N 3.48Å; E48-V50 PolarHBondContact O-N 3.45Å | ||
| 49 | Q | 57.5 | Low | 70.3 | Confident | 176 Ų | 176 | 80.5 Ų | 80.5 | 82% | 0.822 | 47% | 0.469 | S | S | * | . | trans | -67.6 | 88.7 | 169.8 | -72 | -171.2 | 12.5 | 0 | 0 | 107.9 | L47 | L47-Q49 PolarHBondContact O-N 3.42Š| ||
| 50 | V | 65.3 | Low | 71.8 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 37% | 0.37 | 44% | 0.436 | S | S | . | . | trans | -66.1 | 130.1 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | L25 E48 Q52 | L25-V50 HydrophobicContact CD2-CB 3.56Å; L25-V50 HydrophobicContact CD2-CG1 3.95Å; L25-V50 HydrophobicContact CD2-CG2 3.93Å; E48-V50 PolarHBondContact O-N 3.45Å; V50-Q52 PolarHBondContact O-N 2.92Å | ||
| 51 | P | 61.5 | Low | 73.4 | Confident | 122 Ų | 122 | 81.8 Ų | 81.8 | 79% | 0.792 | 45% | 0.446 | S | S | * | . | trans | -53.5 | 111.5 | 175.3 | -25.2 | 33.2 | 0 | 0 | 0 | 110.5 | ||||
| 52 | Q | 75.2 | Confident | 75.3 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | trans | -81.6 | 132.8 | 174 | -68.2 | -171 | -8.4 | 0 | 0 | 109.6 | V50 T56 K57 S60 | V50-Q52 PolarHBondContact O-N 2.92Å; Q52-T56 HydrophobicContact CB-CG2 4.19Å; Q52-T56 HydrophobicContact CG-CG2 3.9Å; Q52-K57 HydrophobicContact CB-CG 3.76Å; Q52-K57 WeakPolarHBondContact O-CE 3.38Å; Q52-S60 PolarHBondContact NE2-OG 2.92Å; Q52-S60 PolarHBondContact OE1-OG 3.13Å | ||
| 53 | D | 84.5 | Confident | 76.9 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | trans | -65.8 | 169.1 | 166.4 | 58.6 | 37 | 0 | 0 | 0 | 111.3 | S55 T56 K57 | D53-S55 VanDerWaalsContact C-N 3.27Å; D53-S55 PolarHBondContact O-N 3.47Å; D53-S55 PolarHBondContact OD1-N 3.1Å; D53-S55 PolarHBondContact OD1-OG 3.25Å; D53-T56 PolarHBondContact O-N 2.82Å; D53-T56 WeakPolarHBondContact OD1-CB 3.48Å; D53-T56 PolarHBondContact OD1-N 2.97Å; D53-T56 PolarHBondContact OD1-OG1 3.48Å; D53-K57 WeakPolarHBondContact O-CG 3.32Å; D53-K57 PolarHBondContact O-N 2.89Å | ||
| 54 | A | 86.4 | Confident | 78.5 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63 | -31.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K58 | A54-K58 WeakPolarHBondContact O-CG 3.36Å; A54-K58 PolarHBondContact O-N 2.86Å |
| 55 | S | 87.2 | Confident | 80 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.6 | -45.3 | 177.7 | 48 | 0 | 0 | 0 | 0 | 111.3 | D53 K57 K58 L59 | D53-S55 VanDerWaalsContact C-N 3.27Å; D53-S55 PolarHBondContact O-N 3.47Å; D53-S55 PolarHBondContact OD1-N 3.1Å; D53-S55 PolarHBondContact OD1-OG 3.25Å; S55-K57 VanDerWaalsContact C-N 3.26Å; S55-K57 PolarHBondContact O-N 3.35Å; S55-K58 PolarHBondContact O-N 2.98Å; S55-K58 VanDerWaalsContact O-N 3.13Å; S55-L59 WeakPolarHBondContact O-CG 3.32Å; S55-L59 PolarHBondContact O-N 3.33Å |
| 56 | T | 89.7 | Confident | 81.3 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62 | -34.9 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | L25 L26 Q52 D53 L59 S60 | L25-T56 HydrophobicContact CB-CG2 4.16Å; L25-T56 HydrophobicContact CD1-CG2 4.37Å; L26-T56 HydrophobicContact CD2-CG2 4.22Å; Q52-T56 HydrophobicContact CB-CG2 4.19Å; Q52-T56 HydrophobicContact CG-CG2 3.9Å; D53-T56 PolarHBondContact O-N 2.82Å; D53-T56 WeakPolarHBondContact OD1-CB 3.48Å; D53-T56 PolarHBondContact OD1-N 2.97Å; D53-T56 PolarHBondContact OD1-OG1 3.48Å; T56-L59 PolarHBondContact O-N 2.83Å; T56-S60 WeakPolarHBondContact O-CB 3.37Å; T56-S60 PolarHBondContact O-N 2.93Å; T56-S60 PolarHBondContact O-OG 3.07Å |
| 57 | K | 90.8 | Very high | 83.1 | Confident | 114 Ų | 114 | 67 Ų | 67 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 172.4 | -75 | -178.8 | 179.6 | 179.3 | 0 | 112.2 | Q52 D53 S55 L59 S60 E61 | Q52-K57 HydrophobicContact CB-CG 3.76Å; Q52-K57 WeakPolarHBondContact O-CE 3.38Å; D53-K57 WeakPolarHBondContact O-CG 3.32Å; D53-K57 PolarHBondContact O-N 2.89Å; S55-K57 VanDerWaalsContact C-N 3.26Å; S55-K57 PolarHBondContact O-N 3.35Å; K57-L59 VanDerWaalsContact C-N 3.32Å; K57-L59 PolarHBondContact O-N 3.29Å; K57-S60 WeakPolarHBondContact O-CB 3.25Å; K57-S60 PolarHBondContact O-N 2.81Å; K57-S60 VanDerWaalsContact O-N 3.16Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.24Å |
| 58 | K | 92.7 | Very high | 84.6 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 176.6 | -71.8 | 177.4 | -179.3 | -178.3 | 0 | 112.1 | A54 S55 S60 E61 C62 L162 | A54-K58 WeakPolarHBondContact O-CG 3.36Å; A54-K58 PolarHBondContact O-N 2.86Å; S55-K58 PolarHBondContact O-N 2.98Å; S55-K58 VanDerWaalsContact O-N 3.13Å; K58-S60 VanDerWaalsContact C-N 3.35Å; K58-E61 PolarHBondContact O-N 3.24Å; K58-C62 WeakPolarHBondContact O-CB 3.5Å; K58-C62 PolarHBondContact O-N 3.01Å; K58-L162 HydrophobicContact CB-CD1 4.02Å; K58-L162 HydrophobicContact CB-CD2 4.36Å |
| 59 | L | 94.4 | Very high | 86.4 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.9 | -74.3 | 164.1 | 0 | 0 | 0 | 111.4 | T22 L26 S55 T56 K57 C62 L63 W158 L161 L162 | T22-L59 HydrophobicContact CG2-CD1 4.21Å; L26-L59 HydrophobicContact CD1-CB 4.32Å; L26-L59 HydrophobicContact CD1-CD1 4.49Å; L26-L59 HydrophobicContact CD2-CB 3.51Å; S55-L59 WeakPolarHBondContact O-CG 3.32Å; S55-L59 PolarHBondContact O-N 3.33Å; T56-L59 PolarHBondContact O-N 2.83Å; K57-L59 VanDerWaalsContact C-N 3.32Å; K57-L59 PolarHBondContact O-N 3.29Å; L59-C62 WeakPolarHBondContact O-CB 3.33Å; L59-C62 PolarHBondContact O-N 3.29Å; L59-L63 PolarHBondContact O-N 3.14Å; L59-W158 HydrophobicContact CD1-CB 3.7Å; L59-W158 HydrophobicContact CD2-CB 4.4Å; L59-W158 VanDerWaalsContact CD2-O 3.3Å; L59-W158 WeakPolarHBondContact CD2-O 3.29Å; L59-L161 HydrophobicContact CD2-CB 3.92Å; L59-L161 HydrophobicContact CD2-CD2 3.99Å; L59-L161 HydrophobicContact CD2-CG 4.43Å; L59-L162 HydrophobicContact CD2-CD1 4.24Å; L59-L162 HydrophobicContact CD2-CD2 3.91Å; L59-L162 HydrophobicContact CD2-CG 3.61Å; L59-L162 HydrophobicContact CG-CD1 4.22Å; L59-L162 HydrophobicContact CG-CD2 4.27Å; L59-L162 HydrophobicContact CG-CG 4.09Å |
| 60 | S | 93.1 | Very high | 88.1 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | Q52 T56 K57 K58 C62 L63 K64 | Q52-S60 PolarHBondContact NE2-OG 2.92Å; Q52-S60 PolarHBondContact OE1-OG 3.13Å; T56-S60 WeakPolarHBondContact O-CB 3.37Å; T56-S60 PolarHBondContact O-N 2.93Å; T56-S60 PolarHBondContact O-OG 3.07Å; K57-S60 WeakPolarHBondContact O-CB 3.25Å; K57-S60 PolarHBondContact O-N 2.81Å; K57-S60 VanDerWaalsContact O-N 3.16Å; K58-S60 VanDerWaalsContact C-N 3.35Å; S60-C62 VanDerWaalsContact C-N 3.34Å; S60-C62 PolarHBondContact O-N 3Å; S60-L63 PolarHBondContact O-N 3.49Å; S60-K64 VanDerWaalsContact O-CG 3.24Å; S60-K64 WeakPolarHBondContact O-CG 3.5Å; S60-K64 PolarHBondContact O-N 3.32Å |
| 61 | E | 92.6 | Very high | 89.5 | Confident | 130 Ų | 130 | 53.6 Ų | 53.6 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 175.4 | -72.2 | 172.3 | 177.5 | 0 | 0 | 112.2 | K57 K58 K64 R65 | K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.24Å; K58-E61 PolarHBondContact O-N 3.24Å; E61-K64 PolarHBondContact O-N 2.95Å; E61-R65 PolarHBondContact O-N 2.89Å |
| 62 | C | 93.2 | Very high | 90.9 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 12% | 0.122 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 175.3 | -173 | 0 | 0 | 0 | 0 | 111.3 | K58 L59 S60 K64 R65 I66 L161 L162 | K58-C62 WeakPolarHBondContact O-CB 3.5Å; K58-C62 PolarHBondContact O-N 3.01Å; L59-C62 WeakPolarHBondContact O-CB 3.33Å; L59-C62 PolarHBondContact O-N 3.29Å; S60-C62 VanDerWaalsContact C-N 3.34Å; S60-C62 PolarHBondContact O-N 3Å; C62-K64 VanDerWaalsContact C-N 3.34Å; C62-K64 PolarHBondContact O-N 3.29Å; C62-R65 PolarHBondContact O-N 3.22Å; C62-I66 WeakPolarHBondContact O-CD1 3.17Å; C62-I66 VanDerWaalsContact O-CG1 3.31Å; C62-I66 WeakPolarHBondContact O-CG1 3.34Å; C62-I66 PolarHBondContact O-N 3.43Å; C62-L161 HydrophobicContact CB-CD2 4.18Å; C62-L162 HydrophobicContact CB-CD2 3.81Å |
| 63 | L | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -42 | 176.3 | -75.6 | 175.8 | 0 | 0 | 0 | 112.3 | L26 F30 L59 S60 I66 G67 V111 L161 | L26-L63 HydrophobicContact CB-CD1 3.81Å; L26-L63 HydrophobicContact CD1-CD1 4.24Å; L26-L63 HydrophobicContact CD2-CD1 4Å; L26-L63 HydrophobicContact CG-CD1 4.22Å; F30-L63 HydrophobicContact CD2-CB 4.31Å; F30-L63 HydrophobicContact CE2-CB 4.43Å; F30-L63 VanDerWaalsContact CE2-O 3.24Å; F30-L63 WeakPolarHBondContact CE2-O 3.32Å; L59-L63 PolarHBondContact O-N 3.14Å; S60-L63 PolarHBondContact O-N 3.49Å; L63-I66 PolarHBondContact O-N 3.06Å; L63-G67 PolarHBondContact O-N 3.24Å; L63-V111 HydrophobicContact CD2-CB 4.46Å; L63-V111 HydrophobicContact CD2-CG1 4.14Å; L63-V111 HydrophobicContact CD2-CG2 3.74Å; L63-L161 HydrophobicContact CD2-CD1 4.21Å |
| 64 | K | 92.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 56 Ų | 56 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 175.3 | -72.4 | 174.1 | -173.6 | -148.3 | 0 | 111.1 | D33 R34 S60 E61 C62 I66 G67 D68 | D33-K64 HydrophobicContact CB-CD 4.3Å; D33-K64 HydrophobicContact CB-CG 4.25Å; D33-K64 VanDerWaalsContact OD1-CD 3.31Å; D33-K64 WeakPolarHBondContact OD1-CD 3.25Å; D33-K64 WeakPolarHBondContact OD1-CE 3.38Å; D33-K64 IonicContact OD1-NZ 2.74Å; D33-K64 PolarHBondContact OD1-NZ 2.7Å; R34-K64 PolarHBondContact NH2-O 3.06Å; S60-K64 VanDerWaalsContact O-CG 3.24Å; S60-K64 WeakPolarHBondContact O-CG 3.5Å; S60-K64 PolarHBondContact O-N 3.32Å; E61-K64 PolarHBondContact O-N 2.95Å; C62-K64 VanDerWaalsContact C-N 3.34Å; C62-K64 PolarHBondContact O-N 3.29Å; K64-I66 PolarHBondContact O-N 3Å; K64-G67 PolarHBondContact O-N 3.48Å; K64-D68 VanDerWaalsContact O-CG 3.22Å; K64-D68 PolarHBondContact O-N 2.89Å |
| 65 | R | 92.1 | Very high | 92.3 | Very high | 113 Ų | 113 | 58.4 Ų | 58.4 | 43% | 0.426 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 179 | -167.5 | 179.4 | 83.9 | 176.9 | -2.2 | 111.9 | E61 C62 D68 E69 W170 | E61-R65 PolarHBondContact O-N 2.89Å; C62-R65 PolarHBondContact O-N 3.22Å; R65-D68 PolarHBondContact O-N 3.41Å; R65-E69 PolarHBondContact O-N 3.32Å; R65-W170 HydrophobicContact CG-CH2 4.06Å; R65-W170 HydrophobicContact CG-CZ3 4.33Å; R65-W170 VanDerWaalsContact CZ-CE2 3.41Å; R65-W170 VanDerWaalsContact NH2-CD1 3.26Å |
| 66 | I | 92.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.6 | -66.7 | 159.7 | 0 | 0 | 0 | 110.4 | C62 L63 K64 D68 E69 L70 V111 F165 T174 | C62-I66 WeakPolarHBondContact O-CD1 3.17Å; C62-I66 VanDerWaalsContact O-CG1 3.31Å; C62-I66 WeakPolarHBondContact O-CG1 3.34Å; C62-I66 PolarHBondContact O-N 3.43Å; L63-I66 PolarHBondContact O-N 3.06Å; K64-I66 PolarHBondContact O-N 3Å; I66-D68 PolarHBondContact O-N 2.98Å; I66-E69 WeakPolarHBondContact O-CB 3.34Å; I66-E69 PolarHBondContact O-N 3.21Å; I66-L70 HydrophobicContact CG2-CD1 3.99Å; I66-L70 HydrophobicContact CG2-CG 4.3Å; I66-L70 WeakPolarHBondContact O-CG 3.27Å; I66-L70 PolarHBondContact O-N 3.39Å; I66-V111 HydrophobicContact CB-CG1 4.37Å; I66-V111 HydrophobicContact CD1-CG1 4.36Å; I66-V111 HydrophobicContact CD1-CG2 4.4Å; I66-V111 HydrophobicContact CG2-CG1 3.48Å; I66-V111 VanDerWaalsContact CG2-CG1 3.48Å; I66-F165 HydrophobicContact CD1-CB 4.16Å; I66-F165 HydrophobicContact CD1-CD1 3.46Å; I66-F165 VanDerWaalsContact CD1-CD1 3.46Å; I66-F165 HydrophobicContact CD1-CD2 3.61Å; I66-F165 HydrophobicContact CD1-CE1 3.56Å; I66-F165 HydrophobicContact CD1-CE2 3.73Å; I66-F165 HydrophobicContact CD1-CG 3.47Å; I66-F165 VanDerWaalsContact CD1-CG 3.47Å; I66-F165 HydrophobicContact CD1-CZ 3.71Å; I66-F165 HydrophobicContact CG1-CD1 3.81Å; I66-F165 HydrophobicContact CG1-CE1 3.92Å; I66-F165 HydrophobicContact CG1-CG 4.25Å; I66-F165 HydrophobicContact CG1-CZ 4.48Å; I66-T174 HydrophobicContact CB-CG2 4.26Å; I66-T174 HydrophobicContact CG2-CG2 3.54Å |
| 67 | G | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -29.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R34 L63 K64 E69 L70 D71 | R34-G67 VanDerWaalsContact CZ-C 3.47Å; R34-G67 PolarHBondContact NH1-O 3.38Å; L63-G67 PolarHBondContact O-N 3.24Å; K64-G67 PolarHBondContact O-N 3.48Å; G67-E69 VanDerWaalsContact C-N 3.32Å; G67-L70 PolarHBondContact O-N 2.93Å; G67-D71 WeakPolarHBondContact O-CB 3.41Å; G67-D71 PolarHBondContact O-N 3.4Å |
| 68 | D | 92.9 | Very high | 92.8 | Very high | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 177.9 | -71.7 | -8.6 | 0 | 0 | 0 | 109.6 | R34 R37 K64 R65 I66 D71 S72 | R34-D68 IonicContact CZ-OD1 3.34Å; R34-D68 IonicContact NE-OD1 3.32Å; R34-D68 IonicContact NH2-OD1 2.64Å; R34-D68 PolarHBondContact NH2-OD1 2.66Å; R37-D68 IonicContact CZ-OD1 3.22Å; R37-D68 IonicContact CZ-OD2 3.63Å; R37-D68 VanDerWaalsContact NH1-CG 3.31Å; R37-D68 IonicContact NH1-OD1 2.83Å; R37-D68 PolarHBondContact NH1-OD1 3.4Å; R37-D68 IonicContact NH1-OD2 3.24Å; R37-D68 PolarHBondContact NH1-OD2 2.94Å; R37-D68 IonicContact NH2-OD1 3.07Å; R37-D68 PolarHBondContact NH2-OD1 3.17Å; R37-D68 IonicContact NH2-OD2 3.06Å; R37-D68 PolarHBondContact NH2-OD2 3.47Å; K64-D68 VanDerWaalsContact O-CG 3.22Å; K64-D68 PolarHBondContact O-N 2.89Å; R65-D68 PolarHBondContact O-N 3.41Å; I66-D68 PolarHBondContact O-N 2.98Å; D68-D71 PolarHBondContact O-N 3.06Å; D68-S72 PolarHBondContact O-N 3.22Å |
| 69 | E | 92.5 | Very high | 92.7 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 171.3 | -163.8 | 66.5 | -132.4 | 0 | 0 | 111.9 | R65 I66 G67 D71 S72 W170 T174 | R65-E69 PolarHBondContact O-N 3.32Å; I66-E69 WeakPolarHBondContact O-CB 3.34Å; I66-E69 PolarHBondContact O-N 3.21Å; G67-E69 VanDerWaalsContact C-N 3.32Å; E69-D71 VanDerWaalsContact C-N 3.34Å; E69-S72 PolarHBondContact O-N 3.32Å; E69-S72 PolarHBondContact O-OG 3.05Å; E69-W170 HydrophobicContact CB-CZ3 4.21Å; E69-W170 HydrophobicContact CG-CZ3 4.3Å; E69-T174 HydrophobicContact CB-CG2 3.9Å; E69-T174 HydrophobicContact CG-CG2 3.98Å |
| 70 | L | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 176.3 | -66.2 | 174.6 | 0 | 0 | 0 | 112.3 | I66 G67 S72 N73 L76 Q77 Y115 T174 V177 A178 | I66-L70 HydrophobicContact CG2-CD1 3.99Å; I66-L70 HydrophobicContact CG2-CG 4.3Å; I66-L70 WeakPolarHBondContact O-CG 3.27Å; I66-L70 PolarHBondContact O-N 3.39Å; G67-L70 PolarHBondContact O-N 2.93Å; L70-S72 PolarHBondContact O-N 3.35Å; L70-N73 WeakPolarHBondContact O-CB 3.24Å; L70-N73 PolarHBondContact O-N 2.97Å; L70-L76 HydrophobicContact CB-CD2 4.12Å; L70-L76 HydrophobicContact CD2-CD2 4.08Å; L70-Q77 PolarHBondContact O-NE2 3.15Å; L70-Y115 HydrophobicContact CB-CD1 4.34Å; L70-Y115 HydrophobicContact CB-CD2 4.1Å; L70-Y115 HydrophobicContact CB-CE1 4.01Å; L70-Y115 HydrophobicContact CB-CE2 3.75Å; L70-Y115 HydrophobicContact CB-CG 4.39Å; L70-Y115 HydrophobicContact CD1-CD1 3.88Å; L70-Y115 HydrophobicContact CD1-CD2 3.8Å; L70-Y115 HydrophobicContact CD1-CE1 4.39Å; L70-Y115 HydrophobicContact CD1-CE2 4.32Å; L70-Y115 HydrophobicContact CD1-CG 3.56Å; L70-T174 HydrophobicContact CD2-CG2 4.35Å; L70-T174 HydrophobicContact CG-CG2 4.38Å; L70-V177 HydrophobicContact CD1-CG1 3.83Å; L70-V177 HydrophobicContact CD2-CB 4.17Å; L70-V177 HydrophobicContact CD2-CG1 3.85Å; L70-V177 HydrophobicContact CG-CG1 4.45Å; L70-A178 HydrophobicContact CD2-CB 3.85Å |
| 71 | D | 93.2 | Very high | 92.3 | Very high | 50 Ų | 50 | 58.8 Ų | 58.8 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -26.6 | 174.6 | -80.2 | -19.9 | 0 | 0 | 0 | 112.1 | R34 G67 D68 E69 N73 Q77 Y115 K119 | R34-D71 IonicContact CZ-OD2 3.74Å; R34-D71 IonicContact NE-OD2 2.73Å; R34-D71 VanDerWaalsContact NH1-CG 3.34Å; R34-D71 IonicContact NH1-OD1 3.69Å; R34-D71 IonicContact NH1-OD2 3.53Å; R34-D71 PolarHBondContact NH1-OD2 3.5Å; G67-D71 WeakPolarHBondContact O-CB 3.41Å; G67-D71 PolarHBondContact O-N 3.4Å; D68-D71 PolarHBondContact O-N 3.06Å; E69-D71 VanDerWaalsContact C-N 3.34Å; D71-N73 VanDerWaalsContact C-N 3.29Å; D71-N73 PolarHBondContact O-N 2.74Å; D71-Q77 WeakPolarHBondContact O-CG 3.39Å; D71-Y115 WeakPolarHBondContact OD1-CE2 3.47Å; D71-Y115 PolarHBondContact OD1-OH 3.13Å; D71-K119 IonicContact OD1-NZ 3.19Å; D71-K119 PolarHBondContact OD1-NZ 2.88Å |
| 72 | S | 92.1 | Very high | 92 | Very high | 77 Ų | 77 | 55 Ų | 55 | 54% | 0.538 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.2 | -18.3 | 175 | 90.6 | 0 | 0 | 0 | 0 | 113.2 | D68 E69 L70 M74 | D68-S72 PolarHBondContact O-N 3.22Å; E69-S72 PolarHBondContact O-N 3.32Å; E69-S72 PolarHBondContact O-OG 3.05Å; L70-S72 PolarHBondContact O-N 3.35Å; S72-M74 PolarHBondContact O-N 2.63Å; S72-M74 VanDerWaalsContact O-N 3.12Å |
| 73 | N | 92.4 | Very high | 91.6 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | trans | -77.3 | 99.5 | 179.7 | -171.6 | -50.7 | 0 | 0 | 0 | 111.4 | L70 D71 E75 L76 Q77 A178 | L70-N73 WeakPolarHBondContact O-CB 3.24Å; L70-N73 PolarHBondContact O-N 2.97Å; D71-N73 VanDerWaalsContact C-N 3.29Å; D71-N73 PolarHBondContact O-N 2.74Å; N73-E75 VanDerWaalsContact C-N 3.34Å; N73-E75 PolarHBondContact O-N 3.44Å; N73-E75 PolarHBondContact OD1-N 3.17Å; N73-L76 HydrophobicContact CB-CB 3.99Å; N73-L76 PolarHBondContact O-N 3.5Å; N73-L76 WeakPolarHBondContact OD1-CB 3.36Å; N73-L76 PolarHBondContact OD1-N 3.47Å; N73-Q77 WeakPolarHBondContact O-CG 3.21Å; N73-Q77 PolarHBondContact O-N 3.48Å; N73-A178 WeakPolarHBondContact ND2-CB 3.41Å | ||
| 74 | M | 91.5 | Very high | 90.7 | Very high | 163 Ų | 163 | 58.3 Ų | 58.3 | 80% | 0.803 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.1 | -36.9 | -176.8 | -68.7 | -174.9 | -79.5 | 0 | 0 | 114.2 | S72 Q77 R78 | S72-M74 PolarHBondContact O-N 2.63Å; S72-M74 VanDerWaalsContact O-N 3.12Å; M74-Q77 PolarHBondContact O-N 2.84Å; M74-R78 WeakPolarHBondContact O-CB 3.47Å; M74-R78 PolarHBondContact O-N 2.98Å |
| 75 | E | 91.5 | Very high | 89.7 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 58% | 0.579 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.4 | -45.5 | 179.1 | -177.4 | 174.5 | -166.7 | 0 | 0 | 110.7 | N73 Q77 R78 M79 T182 | N73-E75 VanDerWaalsContact C-N 3.34Å; N73-E75 PolarHBondContact O-N 3.44Å; N73-E75 PolarHBondContact OD1-N 3.17Å; E75-Q77 VanDerWaalsContact C-N 3.35Å; E75-Q77 PolarHBondContact O-N 3.36Å; E75-R78 WeakPolarHBondContact O-CB 3.32Å; E75-R78 PolarHBondContact O-N 2.9Å; E75-M79 WeakPolarHBondContact O-CG 3.42Å; E75-M79 PolarHBondContact O-N 3.48Å; E75-T182 HydrophobicContact CG-CG2 4.12Å |
| 76 | L | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 174.9 | 178.2 | 58.6 | 0 | 0 | 0 | 111.1 | L70 N73 R78 M79 I80 Y115 A178 L181 L185 | L70-L76 HydrophobicContact CB-CD2 4.12Å; L70-L76 HydrophobicContact CD2-CD2 4.08Å; N73-L76 HydrophobicContact CB-CB 3.99Å; N73-L76 PolarHBondContact O-N 3.5Å; N73-L76 WeakPolarHBondContact OD1-CB 3.36Å; N73-L76 PolarHBondContact OD1-N 3.47Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 3.43Å; L76-M79 PolarHBondContact O-N 2.89Å; L76-I80 HydrophobicContact CD1-CD1 3.83Å; L76-I80 HydrophobicContact CD1-CG1 4.17Å; L76-I80 HydrophobicContact CG-CD1 3.91Å; L76-I80 WeakPolarHBondContact O-CG1 3.31Å; L76-I80 PolarHBondContact O-N 3.4Å; L76-Y115 HydrophobicContact CD2-CD1 4.36Å; L76-Y115 HydrophobicContact CD2-CE1 3.7Å; L76-Y115 HydrophobicContact CG-CE1 4.28Å; L76-A178 HydrophobicContact CD2-CB 4.22Å; L76-L181 HydrophobicContact CD1-CB 4.14Å; L76-L181 HydrophobicContact CD1-CD2 3.66Å; L76-L181 HydrophobicContact CD1-CG 3.68Å; L76-L181 HydrophobicContact CD2-CD2 4.32Å; L76-L185 HydrophobicContact CD1-CD1 4.15Å |
| 77 | Q | 93.3 | Very high | 88.5 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.8 | -65.4 | -38.7 | -64.1 | 0 | 0 | 111.9 | L70 D71 N73 M74 E75 M79 I80 A81 Y115 K119 | L70-Q77 PolarHBondContact O-NE2 3.15Å; D71-Q77 WeakPolarHBondContact O-CG 3.39Å; N73-Q77 WeakPolarHBondContact O-CG 3.21Å; N73-Q77 PolarHBondContact O-N 3.48Å; M74-Q77 PolarHBondContact O-N 2.84Å; E75-Q77 VanDerWaalsContact C-N 3.35Å; E75-Q77 PolarHBondContact O-N 3.36Å; Q77-M79 VanDerWaalsContact C-N 3.35Å; Q77-M79 PolarHBondContact O-N 3.1Å; Q77-I80 PolarHBondContact O-N 2.98Å; Q77-A81 WeakPolarHBondContact O-CB 3.27Å; Q77-A81 PolarHBondContact O-N 3.48Å; Q77-Y115 PolarHBondContact NE2-OH 3.33Å; Q77-K119 VanDerWaalsContact OE1-CE 3.29Å |
| 78 | R | 92.4 | Very high | 88 | Confident | 173 Ų | 173 | 62.4 Ų | 62.4 | 65% | 0.653 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 177.9 | -165.5 | -173.1 | 90.8 | 101.4 | -3.6 | 111.9 | M74 E75 L76 A81 A82 | M74-R78 WeakPolarHBondContact O-CB 3.47Å; M74-R78 PolarHBondContact O-N 2.98Å; E75-R78 WeakPolarHBondContact O-CB 3.32Å; E75-R78 PolarHBondContact O-N 2.9Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 3.43Å; R78-A81 PolarHBondContact O-N 2.91Å; R78-A82 PolarHBondContact O-N 3.21Å; R78-A82 VanDerWaalsContact O-N 3.16Å |
| 79 | M | 90.7 | Very high | 87.8 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 179.3 | -69.8 | -61.9 | -67.9 | 0 | 0 | 111.8 | E75 L76 Q77 A82 V83 T182 L185 T186 | E75-M79 WeakPolarHBondContact O-CG 3.42Å; E75-M79 PolarHBondContact O-N 3.48Å; L76-M79 PolarHBondContact O-N 2.89Å; Q77-M79 VanDerWaalsContact C-N 3.35Å; Q77-M79 PolarHBondContact O-N 3.1Å; M79-A82 PolarHBondContact O-N 3.38Å; M79-V83 PolarHBondContact O-N 2.97Å; M79-T182 HydrophobicContact CG-CG2 4.31Å; M79-L185 HydrophobicContact CB-CB 4.27Å; M79-L185 HydrophobicContact CB-CD1 3.9Å; M79-L185 HydrophobicContact CE-CB 3.89Å; M79-T186 WeakPolarHBondContact CE-OG1 3.42Å |
| 80 | I | 90.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.2 | -68.2 | 173.5 | 0 | 0 | 0 | 111.6 | L76 Q77 A82 V83 Y115 K119 K123 L185 | L76-I80 HydrophobicContact CD1-CD1 3.83Å; L76-I80 HydrophobicContact CD1-CG1 4.17Å; L76-I80 HydrophobicContact CG-CD1 3.91Å; L76-I80 WeakPolarHBondContact O-CG1 3.31Å; L76-I80 PolarHBondContact O-N 3.4Å; Q77-I80 PolarHBondContact O-N 2.98Å; I80-A82 PolarHBondContact O-N 3.47Å; I80-V83 WeakPolarHBondContact O-CB 3.38Å; I80-V83 PolarHBondContact O-N 2.98Å; I80-Y115 HydrophobicContact CD1-CD1 4.47Å; I80-Y115 HydrophobicContact CD1-CE1 3.67Å; I80-K119 HydrophobicContact CD1-CB 4.31Å; I80-K119 HydrophobicContact CD1-CG 4.01Å; I80-K119 HydrophobicContact CG2-CB 3.8Å; I80-K119 HydrophobicContact CG2-CG 4.39Å; I80-K123 PolarHBondContact O-NZ 3.43Å; I80-L185 HydrophobicContact CG1-CD1 3.87Å |
| 81 | A | 87.9 | Confident | 87.3 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.7 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q77 R78 V83 K123 | Q77-A81 WeakPolarHBondContact O-CB 3.27Å; Q77-A81 PolarHBondContact O-N 3.48Å; R78-A81 PolarHBondContact O-N 2.91Å; A81-V83 VanDerWaalsContact C-N 3.28Å; A81-V83 PolarHBondContact O-N 3.27Å; A81-K123 PolarHBondContact O-NZ 3Å |
| 82 | A | 86.6 | Confident | 87.3 | Confident | 51 Ų | 51 | 66 Ų | 66 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -7.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | R78 M79 I80 D84 | R78-A82 PolarHBondContact O-N 3.21Å; R78-A82 VanDerWaalsContact O-N 3.16Å; M79-A82 PolarHBondContact O-N 3.38Å; I80-A82 PolarHBondContact O-N 3.47Å; A82-D84 PolarHBondContact O-N 2.99Å |
| 83 | V | 83.9 | Confident | 87.3 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -67.5 | 119.3 | 173.4 | 168.7 | 0 | 0 | 0 | 0 | 109.5 | M79 I80 A81 V91 F116 L120 K123 L185 W188 | M79-V83 PolarHBondContact O-N 2.97Å; I80-V83 WeakPolarHBondContact O-CB 3.38Å; I80-V83 PolarHBondContact O-N 2.98Å; A81-V83 VanDerWaalsContact C-N 3.28Å; A81-V83 PolarHBondContact O-N 3.27Å; V83-V91 HydrophobicContact CG1-CB 4.28Å; V83-V91 HydrophobicContact CG1-CG1 3.7Å; V83-V91 HydrophobicContact CG1-CG2 4.24Å; V83-V91 HydrophobicContact CG2-CG1 4.41Å; V83-F116 HydrophobicContact CG2-CE2 4.44Å; V83-L120 HydrophobicContact CG1-CD2 4.04Å; V83-K123 PolarHBondContact O-NZ 3.47Å; V83-L185 HydrophobicContact CG2-CD2 3.68Å; V83-W188 HydrophobicContact CB-CH2 4.45Å; V83-W188 HydrophobicContact CB-CZ3 4.38Å; V83-W188 HydrophobicContact CG1-CH2 4.36Å; V83-W188 HydrophobicContact CG2-CE3 4.45Å; V83-W188 HydrophobicContact CG2-CH2 4.38Å; V83-W188 HydrophobicContact CG2-CZ3 3.86Å |
| 84 | D | 75.6 | Confident | 87.3 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | trans | -68.4 | 137.8 | 173.2 | -159.9 | -18.7 | 0 | 0 | 0 | 110.9 | A82 D86 | A82-D84 PolarHBondContact O-N 2.99Å; D84-D86 PolarHBondContact OD1-N 3.23Å | ||
| 85 | T | 71.2 | Confident | 87.3 | Confident | 48 Ų | 48 | 59.6 Ų | 59.6 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -92.8 | 2.8 | 177.4 | 50 | 0 | 0 | 0 | 0 | 112.9 | S87 P88 K123 | T85-S87 VanDerWaalsContact C-N 3.26Å; T85-S87 PolarHBondContact O-N 2.94Å; T85-P88 WeakPolarHBondContact O-CD 3.39Å; T85-K123 HydrophobicContact CG2-CB 4.25Å; T85-K123 HydrophobicContact CG2-CD 4.39Å |
| 86 | D | 75.9 | Confident | 87.4 | Confident | 132 Ų | 132 | 53.7 Ų | 53.7 | 71% | 0.706 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -67.2 | -25.7 | 177.6 | -77 | -6.2 | 0 | 0 | 0 | 113.1 | D84 | D84-D86 PolarHBondContact OD1-N 3.23Š|
| 87 | S | 83.2 | Confident | 87.4 | Confident | 63 Ų | 63 | 56 Ų | 56 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -141.8 | 64.2 | 177.6 | -73.1 | 0 | 0 | 0 | 0 | 112.1 | T85 R89 E90 V91 | T85-S87 VanDerWaalsContact C-N 3.26Å; T85-S87 PolarHBondContact O-N 2.94Å; S87-R89 PolarHBondContact O-N 3.33Å; S87-R89 VanDerWaalsContact O-N 3.12Å; S87-E90 PolarHBondContact O-N 3.46Å; S87-E90 VanDerWaalsContact O-N 3.07Å; S87-V91 WeakPolarHBondContact O-CG2 3.26Å; S87-V91 PolarHBondContact O-N 2.94Å |
| 88 | P | 83.9 | Confident | 87.3 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 13% | 0.13 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -26.9 | -169.7 | 26.6 | -30.7 | 0 | 0 | 0 | 112 | T85 F92 L132 W139 | T85-P88 WeakPolarHBondContact O-CD 3.39Å; P88-F92 VanDerWaalsContact O-CB 3.23Å; P88-F92 WeakPolarHBondContact O-CB 3.27Å; P88-F92 PolarHBondContact O-N 3.24Å; P88-L132 HydrophobicContact CG-CD1 4.21Å; P88-L132 HydrophobicContact CG-CD2 3.87Å; P88-W139 HydrophobicContact CB-CH2 4.5Å; P88-W139 HydrophobicContact CB-CZ3 4.31Å; P88-W139 HydrophobicContact CG-CH2 4.27Å |
| 89 | R | 87.7 | Confident | 87.3 | Confident | 159 Ų | 159 | 48.4 Ų | 48.4 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.6 | -52 | 174.2 | -170.9 | 174.6 | -179 | -165.1 | 0.6 | 111.8 | S87 V91 F92 F93 W139 | S87-R89 PolarHBondContact O-N 3.33Å; S87-R89 VanDerWaalsContact O-N 3.12Å; R89-V91 VanDerWaalsContact C-N 3.33Å; R89-V91 PolarHBondContact O-N 3.21Å; R89-F92 PolarHBondContact O-N 3Å; R89-F93 HydrophobicContact CG-CD2 3.81Å; R89-F93 HydrophobicContact CG-CE2 3.93Å; R89-F93 WeakPolarHBondContact O-CD2 3.44Å; R89-F93 PolarHBondContact O-N 3.2Å; R89-W139 VanDerWaalsContact CA-CZ3 3.44Å; R89-W139 HydrophobicContact CB-CH2 3.39Å; R89-W139 HydrophobicContact CB-CZ2 3.38Å; R89-W139 HydrophobicContact CB-CZ3 4.03Å; R89-W139 HydrophobicContact CG-CD2 4.34Å; R89-W139 HydrophobicContact CG-CH2 4.01Å; R89-W139 HydrophobicContact CG-CZ2 3.51Å |
| 90 | E | 87.7 | Confident | 87.5 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 43% | 0.425 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | -176.8 | -178.9 | 172.1 | -171.6 | 0 | 0 | 110.3 | S87 F92 R94 | S87-E90 PolarHBondContact O-N 3.46Å; S87-E90 VanDerWaalsContact O-N 3.07Å; E90-F92 PolarHBondContact O-N 3.4Å; E90-R94 HydrophobicContact CG-CG 4.23Å; E90-R94 VanDerWaalsContact O-CB 3.28Å; E90-R94 WeakPolarHBondContact O-CB 3.42Å; E90-R94 VanDerWaalsContact O-CG 3.3Å; E90-R94 WeakPolarHBondContact O-CG 3.35Å; E90-R94 PolarHBondContact O-N 2.8Å; E90-R94 IonicContact OE1-CZ 3.06Å; E90-R94 IonicContact OE1-NE 2.87Å; E90-R94 PolarHBondContact OE1-NE 2.97Å; E90-R94 IonicContact OE1-NH2 2.66Å; E90-R94 PolarHBondContact OE1-NH2 3.31Å |
| 91 | V | 89.8 | Confident | 87.5 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | V83 S87 R89 F93 R94 V95 F116 W188 | V83-V91 HydrophobicContact CG1-CB 4.28Å; V83-V91 HydrophobicContact CG1-CG1 3.7Å; V83-V91 HydrophobicContact CG1-CG2 4.24Å; V83-V91 HydrophobicContact CG2-CG1 4.41Å; S87-V91 WeakPolarHBondContact O-CG2 3.26Å; S87-V91 PolarHBondContact O-N 2.94Å; R89-V91 VanDerWaalsContact C-N 3.33Å; R89-V91 PolarHBondContact O-N 3.21Å; V91-F93 PolarHBondContact O-N 3.4Å; V91-R94 PolarHBondContact O-N 3.48Å; V91-V95 HydrophobicContact CG1-CG2 3.93Å; V91-V95 WeakPolarHBondContact O-CB 3.48Å; V91-V95 VanDerWaalsContact O-CG2 3.26Å; V91-V95 WeakPolarHBondContact O-CG2 3.47Å; V91-V95 PolarHBondContact O-N 3.1Å; V91-F116 HydrophobicContact CG1-CZ 3.97Å; V91-W188 HydrophobicContact CB-CZ2 4.18Å; V91-W188 HydrophobicContact CG1-CD2 3.96Å; V91-W188 HydrophobicContact CG1-CE3 4.35Å; V91-W188 HydrophobicContact CG1-CG 4.49Å; V91-W188 HydrophobicContact CG1-CH2 4.28Å; V91-W188 HydrophobicContact CG1-CZ2 3.89Å; V91-W188 HydrophobicContact CG1-CZ3 4.49Å; V91-W188 HydrophobicContact CG2-CH2 4.09Å; V91-W188 HydrophobicContact CG2-CZ2 3.29Å |
| 92 | F | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.4 | -56 | 179.8 | -178.8 | -94.7 | 0 | 0 | 0 | 112 | P88 R89 E90 R94 V95 A96 L113 F116 A117 L120 W139 | P88-F92 VanDerWaalsContact O-CB 3.23Å; P88-F92 WeakPolarHBondContact O-CB 3.27Å; P88-F92 PolarHBondContact O-N 3.24Å; R89-F92 PolarHBondContact O-N 3Å; E90-F92 PolarHBondContact O-N 3.4Å; F92-R94 PolarHBondContact O-N 3.11Å; F92-V95 PolarHBondContact O-N 3.19Å; F92-A96 VanDerWaalsContact O-CB 3.26Å; F92-A96 WeakPolarHBondContact O-CB 3.45Å; F92-A96 PolarHBondContact O-N 2.87Å; F92-L113 HydrophobicContact CE2-CD1 3.97Å; F92-L113 HydrophobicContact CZ-CD1 3.81Å; F92-F116 HydrophobicContact CD2-CD1 4.38Å; F92-F116 HydrophobicContact CD2-CE1 4.44Å; F92-A117 HydrophobicContact CE2-CB 4Å; F92-L120 HydrophobicContact CB-CD1 4.12Å; F92-L120 HydrophobicContact CD2-CD1 3.99Å; F92-W139 HydrophobicContact CB-CE3 4.01Å; F92-W139 HydrophobicContact CB-CZ3 4.44Å; F92-W139 HydrophobicContact CD1-CB 3.69Å; F92-W139 HydrophobicContact CD1-CE3 4.3Å; F92-W139 HydrophobicContact CD1-CG 4.43Å; F92-W139 HydrophobicContact CE1-CB 3.61Å; F92-W139 HydrophobicContact CG-CB 4.48Å; F92-W139 HydrophobicContact CG-CE3 4.13Å; F92-W139 HydrophobicContact CZ-CB 4.34Å |
| 93 | F | 92 | Very high | 87.7 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 28% | 0.281 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.4 | -34.2 | -176.3 | -77.9 | -73.7 | 0 | 0 | 0 | 112.9 | R89 V91 A97 W139 | R89-F93 HydrophobicContact CG-CD2 3.81Å; R89-F93 HydrophobicContact CG-CE2 3.93Å; R89-F93 WeakPolarHBondContact O-CD2 3.44Å; R89-F93 PolarHBondContact O-N 3.2Å; V91-F93 PolarHBondContact O-N 3.4Å; F93-A97 WeakPolarHBondContact O-CB 3.22Å; F93-A97 PolarHBondContact O-N 3.13Å; F93-W139 HydrophobicContact CE2-CB 3.99Å; F93-W139 AromaticContact CE2-CD1 3.78Å; F93-W139 HydrophobicContact CE2-CD2 4.13Å; F93-W139 AromaticContact CE2-CG 3.69Å; F93-W139 HydrophobicContact CE2-CG 3.69Å; F93-W139 HydrophobicContact CZ-CB 3.86Å; F93-W139 AromaticContact CZ-CD1 3.99Å; F93-W139 AromaticContact CZ-CG 3.96Å; F93-W139 HydrophobicContact CZ-CG 3.96Å |
| 94 | R | 90.9 | Very high | 88 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 175.2 | -76.1 | -174.2 | 179.8 | -141.4 | 7.1 | 111.8 | E90 V91 F92 A97 E98 | E90-R94 HydrophobicContact CG-CG 4.23Å; E90-R94 VanDerWaalsContact O-CB 3.28Å; E90-R94 WeakPolarHBondContact O-CB 3.42Å; E90-R94 VanDerWaalsContact O-CG 3.3Å; E90-R94 WeakPolarHBondContact O-CG 3.35Å; E90-R94 PolarHBondContact O-N 2.8Å; E90-R94 IonicContact OE1-CZ 3.06Å; E90-R94 IonicContact OE1-NE 2.87Å; E90-R94 PolarHBondContact OE1-NE 2.97Å; E90-R94 IonicContact OE1-NH2 2.66Å; E90-R94 PolarHBondContact OE1-NH2 3.31Å; V91-R94 PolarHBondContact O-N 3.48Å; F92-R94 PolarHBondContact O-N 3.11Å; R94-A97 PolarHBondContact O-N 3.29Å; R94-E98 WeakPolarHBondContact O-CB 3.27Å; R94-E98 PolarHBondContact O-N 3.29Å |
| 95 | V | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 178.8 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | V91 F92 E98 M99 F116 L181 L185 W188 | V91-V95 HydrophobicContact CG1-CG2 3.93Å; V91-V95 WeakPolarHBondContact O-CB 3.48Å; V91-V95 VanDerWaalsContact O-CG2 3.26Å; V91-V95 WeakPolarHBondContact O-CG2 3.47Å; V91-V95 PolarHBondContact O-N 3.1Å; F92-V95 PolarHBondContact O-N 3.19Å; V95-E98 PolarHBondContact O-N 3.32Å; V95-M99 HydrophobicContact CG1-CE 4.48Å; V95-M99 WeakPolarHBondContact O-CB 3.38Å; V95-M99 PolarHBondContact O-N 2.86Å; V95-F116 HydrophobicContact CB-CD1 4.19Å; V95-F116 HydrophobicContact CB-CE1 3.63Å; V95-F116 HydrophobicContact CB-CZ 4.15Å; V95-F116 HydrophobicContact CG1-CD1 3.8Å; V95-F116 HydrophobicContact CG1-CE1 3.68Å; V95-F116 HydrophobicContact CG1-CG 4.34Å; V95-F116 HydrophobicContact CG1-CZ 4.17Å; V95-F116 HydrophobicContact CG2-CE1 3.97Å; V95-F116 HydrophobicContact CG2-CZ 3.98Å; V95-L181 HydrophobicContact CG1-CD1 3.96Å; V95-L185 HydrophobicContact CG1-CD2 4.37Å; V95-L185 HydrophobicContact CG2-CD2 3.84Å; V95-W188 HydrophobicContact CG2-CB 4.08Å; V95-W188 HydrophobicContact CG2-CG 4.18Å |
| 96 | A | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F92 E98 M99 F100 L113 F143 | F92-A96 VanDerWaalsContact O-CB 3.26Å; F92-A96 WeakPolarHBondContact O-CB 3.45Å; F92-A96 PolarHBondContact O-N 2.87Å; A96-E98 VanDerWaalsContact C-N 3.33Å; A96-E98 PolarHBondContact O-N 3.22Å; A96-M99 PolarHBondContact O-N 3.32Å; A96-F100 VanDerWaalsContact O-CD2 3.27Å; A96-F100 WeakPolarHBondContact O-CD2 3.4Å; A96-F100 PolarHBondContact O-N 3.23Å; A96-L113 HydrophobicContact CB-CD1 3.73Å; A96-F143 HydrophobicContact CB-CD2 4.04Å; A96-F143 HydrophobicContact CB-CE2 3.74Å; A96-F143 HydrophobicContact CB-CZ 4.09Å |
| 97 | A | 91.5 | Very high | 90.8 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F93 R94 F100 S101 | F93-A97 WeakPolarHBondContact O-CB 3.22Å; F93-A97 PolarHBondContact O-N 3.13Å; R94-A97 PolarHBondContact O-N 3.29Å; A97-F100 CarbonylContact O-C 3.49Å; A97-F100 PolarHBondContact O-N 3.08Å; A97-S101 WeakPolarHBondContact O-CA 3.38Å; A97-S101 WeakPolarHBondContact O-CB 3.32Å; A97-S101 PolarHBondContact O-N 3.4Å |
| 98 | E | 92.2 | Very high | 91.3 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.5 | -173.3 | 55.3 | -139.5 | 0 | 0 | 111.9 | R94 V95 A96 F100 S101 I187 | R94-E98 WeakPolarHBondContact O-CB 3.27Å; R94-E98 PolarHBondContact O-N 3.29Å; V95-E98 PolarHBondContact O-N 3.32Å; A96-E98 VanDerWaalsContact C-N 3.33Å; A96-E98 PolarHBondContact O-N 3.22Å; E98-F100 PolarHBondContact O-N 2.91Å; E98-F100 VanDerWaalsContact O-N 3.16Å; E98-S101 WeakPolarHBondContact O-CB 3.34Å; E98-S101 PolarHBondContact O-N 2.91Å; E98-S101 PolarHBondContact O-OG 3.38Å; E98-I187 HydrophobicContact CG-CB 4.19Å; E98-I187 HydrophobicContact CG-CD1 4.02Å; E98-I187 HydrophobicContact CG-CG2 4.13Å; E98-I187 VanDerWaalsContact OE1-CD1 3.31Å; E98-I187 WeakPolarHBondContact OE1-CD1 3.5Å |
| 99 | M | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -29.9 | 179.6 | -174.3 | 178.5 | -53 | 0 | 0 | 113.2 | V95 A96 R109 A112 L113 V180 L181 | V95-M99 HydrophobicContact CG1-CE 4.48Å; V95-M99 WeakPolarHBondContact O-CB 3.38Å; V95-M99 PolarHBondContact O-N 2.86Å; A96-M99 PolarHBondContact O-N 3.32Å; M99-R109 HydrophobicContact CG-CB 4.13Å; M99-R109 HydrophobicContact CG-CG 4.07Å; M99-R109 VanDerWaalsContact O-CD 3.26Å; M99-R109 WeakPolarHBondContact O-CD 3.33Å; M99-R109 VanDerWaalsContact O-CZ 3.25Å; M99-R109 PolarHBondContact O-NE 3.19Å; M99-R109 PolarHBondContact O-NH1 2.87Å; M99-R109 HydrophobicContact SD-CB 4.16Å; M99-A112 HydrophobicContact CE-CB 3.72Å; M99-A112 HydrophobicContact SD-CB 3.65Å; M99-L113 HydrophobicContact SD-CB 4.29Å; M99-V180 HydrophobicContact CG-CG1 3.77Å; M99-L181 HydrophobicContact CE-CD1 3.7Å |
| 100 | F | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 20.4 | -178.9 | -61.7 | -83.1 | 0 | 0 | 0 | 112.6 | A96 A97 E98 D102 G103 F105 R109 L113 F143 L148 | A96-F100 VanDerWaalsContact O-CD2 3.27Å; A96-F100 WeakPolarHBondContact O-CD2 3.4Å; A96-F100 PolarHBondContact O-N 3.23Å; A97-F100 CarbonylContact O-C 3.49Å; A97-F100 PolarHBondContact O-N 3.08Å; E98-F100 PolarHBondContact O-N 2.91Å; E98-F100 VanDerWaalsContact O-N 3.16Å; F100-D102 VanDerWaalsContact C-N 3.32Å; F100-D102 PolarHBondContact O-N 3.4Å; F100-G103 PolarHBondContact O-N 3.23Å; F100-F105 AromaticContact CD1-CD1 3.64Å; F100-F105 HydrophobicContact CD1-CD1 3.64Å; F100-F105 AromaticContact CD1-CE1 3.88Å; F100-F105 HydrophobicContact CD1-CE1 3.88Å; F100-F105 AromaticContact CE1-CD1 3.92Å; F100-F105 HydrophobicContact CE1-CD1 3.92Å; F100-F105 HydrophobicContact CE1-CE1 4.47Å; F100-F105 HydrophobicContact CG-CE1 4.46Å; F100-R109 HydrophobicContact CD1-CB 4.3Å; F100-R109 HydrophobicContact CE1-CB 3.49Å; F100-R109 VanDerWaalsContact CE1-CB 3.49Å; F100-R109 HydrophobicContact CE1-CG 4.47Å; F100-R109 HydrophobicContact CZ-CB 3.64Å; F100-L113 HydrophobicContact CE2-CB 4.45Å; F100-L113 HydrophobicContact CE2-CD2 4.33Å; F100-F143 AromaticContact CD2-CE1 3.69Å; F100-F143 HydrophobicContact CD2-CE1 3.69Å; F100-F143 AromaticContact CD2-CZ 3.64Å; F100-F143 HydrophobicContact CD2-CZ 3.64Å; F100-F143 AromaticContact CE2-CE1 3.73Å; F100-F143 HydrophobicContact CE2-CE1 3.73Å; F100-F143 HydrophobicContact CE2-CZ 4.13Å; F100-F143 HydrophobicContact CG-CE1 4.48Å; F100-F143 HydrophobicContact CG-CZ 4.37Å; F100-L148 HydrophobicContact CD1-CD2 4.34Å; F100-L148 HydrophobicContact CE1-CD2 3.74Å; F100-L148 HydrophobicContact CZ-CD1 4.43Å; F100-L148 HydrophobicContact CZ-CD2 3.89Å |
| 101 | S | 91.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 33.1 Ų | 33.1 | 55% | 0.545 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -30.6 | -172.8 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | A97 E98 G103 | A97-S101 WeakPolarHBondContact O-CA 3.38Å; A97-S101 WeakPolarHBondContact O-CB 3.32Å; A97-S101 PolarHBondContact O-N 3.4Å; E98-S101 WeakPolarHBondContact O-CB 3.34Å; E98-S101 PolarHBondContact O-N 2.91Å; E98-S101 PolarHBondContact O-OG 3.38Å; S101-G103 PolarHBondContact O-N 3.47Å |
| 102 | D | 90.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 43% | 0.428 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0 | 178.1 | 69.8 | -4.4 | 0 | 0 | 0 | 113.8 | F100 N104 R109 | F100-D102 VanDerWaalsContact C-N 3.32Å; F100-D102 PolarHBondContact O-N 3.4Å; D102-N104 PolarHBondContact O-N 3.49Å; D102-N104 WeakPolarHBondContact OD1-CB 3.47Å; D102-N104 PolarHBondContact OD1-N 2.97Å; D102-N104 PolarHBondContact OD2-ND2 3.05Å; D102-R109 VanDerWaalsContact CG-NH1 3.31Å; D102-R109 IonicContact OD1-CZ 3.49Å; D102-R109 IonicContact OD1-NH1 2.63Å; D102-R109 PolarHBondContact OD1-NH1 3.28Å; D102-R109 IonicContact OD1-NH2 3.5Å; D102-R109 PolarHBondContact OD1-NH2 3.47Å; D102-R109 IonicContact OD2-CZ 3.44Å; D102-R109 IonicContact OD2-NH1 3.22Å; D102-R109 PolarHBondContact OD2-NH1 3.21Å; D102-R109 IonicContact OD2-NH2 2.74Å; D102-R109 PolarHBondContact OD2-NH2 3.5Å |
| 103 | G | 87.8 | Confident | 93.1 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 44% | 0.443 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 74 | 2.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F100 S101 F105 | F100-G103 PolarHBondContact O-N 3.23Å; S101-G103 PolarHBondContact O-N 3.47Å; G103-F105 WeakPolarHBondContact O-CD2 3.37Å; G103-F105 VanDerWaalsContact O-CE2 3.31Å; G103-F105 WeakPolarHBondContact O-CE2 3.48Å |
| 104 | N | 89.9 | Confident | 93.2 | Very high | 96 Ų | 96 | 30 Ų | 30 | 51% | 0.513 | 17% | 0.169 | S | C | . | . | trans | -87.8 | 132.3 | 179.1 | -65.5 | -48.5 | 0 | 0 | 0 | 111.5 | D102 R109 | D102-N104 PolarHBondContact O-N 3.49Å; D102-N104 WeakPolarHBondContact OD1-CB 3.47Å; D102-N104 PolarHBondContact OD1-N 2.97Å; D102-N104 PolarHBondContact OD2-ND2 3.05Å; N104-R109 PolarHBondContact O-NH1 3.29Å | ||
| 105 | F | 93.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 25.5 Ų | 25.5 | 26% | 0.259 | 15% | 0.152 | S | C | . | . | trans | -112.8 | 132.8 | 176.5 | -57.1 | -83.6 | 0 | 0 | 0 | 110.1 | F100 G103 L148 W151 | F100-F105 AromaticContact CD1-CD1 3.64Å; F100-F105 HydrophobicContact CD1-CD1 3.64Å; F100-F105 AromaticContact CD1-CE1 3.88Å; F100-F105 HydrophobicContact CD1-CE1 3.88Å; F100-F105 AromaticContact CE1-CD1 3.92Å; F100-F105 HydrophobicContact CE1-CD1 3.92Å; F100-F105 HydrophobicContact CE1-CE1 4.47Å; F100-F105 HydrophobicContact CG-CE1 4.46Å; G103-F105 WeakPolarHBondContact O-CD2 3.37Å; G103-F105 VanDerWaalsContact O-CE2 3.31Å; G103-F105 WeakPolarHBondContact O-CE2 3.48Å; F105-L148 HydrophobicContact CD1-CD2 3.58Å; F105-L148 HydrophobicContact CE1-CD2 3.85Å; F105-W151 HydrophobicContact CB-CB 4.33Å; F105-W151 HydrophobicContact CB-CD2 3.59Å; F105-W151 HydrophobicContact CB-CE3 4.29Å; F105-W151 HydrophobicContact CB-CG 3.56Å; F105-W151 HydrophobicContact CB-CZ2 4.38Å; F105-W151 HydrophobicContact CG-CB 4.37Å; F105-W151 HydrophobicContact CG-CD2 4.49Å; F105-W151 HydrophobicContact CG-CG 4.1Å | ||
| 106 | N | 93.7 | Very high | 93.6 | Very high | 32 Ų | 32 | 25.5 Ų | 25.5 | 17% | 0.171 | 15% | 0.152 | C | C | . | . | trans | -152.4 | 159.2 | 172.4 | 63.2 | 69.1 | 0 | 0 | 0 | 109.9 | G108 R109 V110 | N106-G108 PolarHBondContact O-N 2.9Å; N106-G108 WeakPolarHBondContact OD1-CA 3.29Å; N106-G108 PolarHBondContact OD1-N 3.34Å; N106-R109 PolarHBondContact O-N 2.89Å; N106-R109 VanDerWaalsContact O-N 3.13Å; N106-R109 PolarHBondContact OD1-N 3.04Å; N106-V110 PolarHBondContact O-N 2.88Å | ||
| 107 | W | 94.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -30.7 | -178.7 | -71.3 | 114.7 | 0 | 0 | 0 | 113.1 | R109 V110 V111 W151 I152 Q155 G157 W158 G160 L161 Y164 F165 | W107-R109 PolarHBondContact O-N 2.92Å; W107-V110 HydrophobicContact CE3-CB 4.23Å; W107-V110 HydrophobicContact CE3-CG1 4.34Å; W107-V110 HydrophobicContact CE3-CG2 4.36Å; W107-V110 HydrophobicContact CZ3-CG1 4.37Å; W107-V110 PolarHBondContact O-N 2.9Å; W107-V111 WeakPolarHBondContact O-CB 3.3Å; W107-V111 VanDerWaalsContact O-CG2 3.28Å; W107-V111 WeakPolarHBondContact O-CG2 3.48Å; W107-V111 PolarHBondContact O-N 3.43Å; W107-W151 AromaticContact CD1-CH2 3.87Å; W107-W151 AromaticContact CD2-CH2 3.67Å; W107-W151 HydrophobicContact CD2-CH2 3.67Å; W107-W151 AromaticContact CD2-CZ3 3.88Å; W107-W151 HydrophobicContact CD2-CZ3 3.88Å; W107-W151 AromaticContact CE2-CH2 3.67Å; W107-W151 AromaticContact CE2-CZ3 3.92Å; W107-W151 HydrophobicContact CE3-CH2 4.21Å; W107-W151 AromaticContact CE3-CZ3 3.96Å; W107-W151 HydrophobicContact CE3-CZ3 3.96Å; W107-W151 AromaticContact CG-CH2 3.82Å; W107-W151 HydrophobicContact CG-CH2 3.82Å; W107-W151 HydrophobicContact CG-CZ3 4.47Å; W107-W151 HydrophobicContact CH2-CZ3 4.18Å; W107-W151 HydrophobicContact CZ2-CH2 4.24Å; W107-W151 HydrophobicContact CZ2-CZ3 4.1Å; W107-W151 HydrophobicContact CZ3-CZ3 4.11Å; W107-W151 AromaticContact NE1-CH2 3.75Å; W107-I152 HydrophobicContact CH2-CB 4.48Å; W107-I152 HydrophobicContact CH2-CG1 3.96Å; W107-I152 HydrophobicContact CH2-CG2 4.01Å; W107-I152 HydrophobicContact CZ3-CD1 4.47Å; W107-I152 HydrophobicContact CZ3-CG1 4.25Å; W107-Q155 HydrophobicContact CZ2-CB 3.9Å; W107-Q155 HydrophobicContact CZ2-CG 4.2Å; W107-G157 WeakPolarHBondContact CZ2-O 3.21Å; W107-W158 HydrophobicContact CH2-CD2 4.46Å; W107-W158 HydrophobicContact CH2-CE3 4.04Å; W107-W158 HydrophobicContact CZ3-CD2 4.37Å; W107-W158 AromaticContact CZ3-CE3 3.57Å; W107-W158 HydrophobicContact CZ3-CE3 3.57Å; W107-W158 AromaticContact CZ3-CZ3 3.72Å; W107-W158 HydrophobicContact CZ3-CZ3 3.72Å; W107-G160 PolarHBondContact NE1-O 2.9Å; W107-L161 HydrophobicContact CD2-CB 3.89Å; W107-L161 HydrophobicContact CD2-CG 4.5Å; W107-L161 HydrophobicContact CE3-CB 3.8Å; W107-L161 HydrophobicContact CE3-CD1 3.94Å; W107-L161 HydrophobicContact CE3-CG 4.21Å; W107-L161 HydrophobicContact CG-CB 4.38Å; W107-L161 HydrophobicContact CZ3-CB 4.14Å; W107-L161 HydrophobicContact CZ3-CD1 4.32Å; W107-Y164 HydrophobicContact CB-CD1 3.61Å; W107-Y164 HydrophobicContact CB-CE1 4.12Å; W107-Y164 HydrophobicContact CB-CG 3.84Å; W107-Y164 HydrophobicContact CG-CG 4.32Å; W107-F165 HydrophobicContact CB-CE2 4.2Å |
| 108 | G | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N106 V111 A112 V177 | N106-G108 PolarHBondContact O-N 2.9Å; N106-G108 WeakPolarHBondContact OD1-CA 3.29Å; N106-G108 PolarHBondContact OD1-N 3.34Å; G108-V111 PolarHBondContact O-N 3.4Å; G108-A112 PolarHBondContact O-N 2.9Å; G108-V177 WeakPolarHBondContact O-CG2 3.49Å |
| 109 | R | 95 | Very high | 93.8 | Very high | 26 Ų | 26 | 22.2 Ų | 22.2 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 176.6 | -70.2 | -179.5 | 173 | 175.5 | -5 | 112.8 | M99 F100 D102 N104 N106 W107 V111 A112 L113 V180 | M99-R109 HydrophobicContact CG-CB 4.13Å; M99-R109 HydrophobicContact CG-CG 4.07Å; M99-R109 VanDerWaalsContact O-CD 3.26Å; M99-R109 WeakPolarHBondContact O-CD 3.33Å; M99-R109 VanDerWaalsContact O-CZ 3.25Å; M99-R109 PolarHBondContact O-NE 3.19Å; M99-R109 PolarHBondContact O-NH1 2.87Å; M99-R109 HydrophobicContact SD-CB 4.16Å; F100-R109 HydrophobicContact CD1-CB 4.3Å; F100-R109 HydrophobicContact CE1-CB 3.49Å; F100-R109 VanDerWaalsContact CE1-CB 3.49Å; F100-R109 HydrophobicContact CE1-CG 4.47Å; F100-R109 HydrophobicContact CZ-CB 3.64Å; D102-R109 VanDerWaalsContact CG-NH1 3.31Å; D102-R109 IonicContact OD1-CZ 3.49Å; D102-R109 IonicContact OD1-NH1 2.63Å; D102-R109 PolarHBondContact OD1-NH1 3.28Å; D102-R109 IonicContact OD1-NH2 3.5Å; D102-R109 PolarHBondContact OD1-NH2 3.47Å; D102-R109 IonicContact OD2-CZ 3.44Å; D102-R109 IonicContact OD2-NH1 3.22Å; D102-R109 PolarHBondContact OD2-NH1 3.21Å; D102-R109 IonicContact OD2-NH2 2.74Å; D102-R109 PolarHBondContact OD2-NH2 3.5Å; N104-R109 PolarHBondContact O-NH1 3.29Å; N106-R109 PolarHBondContact O-N 2.89Å; N106-R109 VanDerWaalsContact O-N 3.13Å; N106-R109 PolarHBondContact OD1-N 3.04Å; W107-R109 PolarHBondContact O-N 2.92Å; R109-V111 VanDerWaalsContact C-N 3.28Å; R109-V111 PolarHBondContact O-N 3.19Å; R109-A112 PolarHBondContact O-N 2.83Å; R109-L113 PolarHBondContact O-N 2.57Å; R109-V180 HydrophobicContact CG-CG1 4.17Å |
| 110 | V | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | N106 W107 L113 F114 L148 W151 W158 | N106-V110 PolarHBondContact O-N 2.88Å; W107-V110 HydrophobicContact CE3-CB 4.23Å; W107-V110 HydrophobicContact CE3-CG1 4.34Å; W107-V110 HydrophobicContact CE3-CG2 4.36Å; W107-V110 HydrophobicContact CZ3-CG1 4.37Å; W107-V110 PolarHBondContact O-N 2.9Å; V110-L113 PolarHBondContact O-N 3.12Å; V110-F114 HydrophobicContact CG1-CD2 4.32Å; V110-F114 HydrophobicContact CG1-CE2 4.27Å; V110-F114 WeakPolarHBondContact O-CD2 3.44Å; V110-F114 PolarHBondContact O-N 2.95Å; V110-F114 VanDerWaalsContact O-N 3.08Å; V110-L148 HydrophobicContact CG1-CD1 4.41Å; V110-L148 HydrophobicContact CG2-CD1 4.13Å; V110-L148 HydrophobicContact CG2-CD2 4.34Å; V110-W151 HydrophobicContact CG2-CE3 4.43Å; V110-W151 HydrophobicContact CG2-CZ3 3.87Å; V110-W158 HydrophobicContact CG1-CH2 3.99Å; V110-W158 HydrophobicContact CG1-CZ3 3.94Å |
| 111 | V | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | L63 I66 W107 G108 R109 L113 F114 Y115 L161 F165 | L63-V111 HydrophobicContact CD2-CB 4.46Å; L63-V111 HydrophobicContact CD2-CG1 4.14Å; L63-V111 HydrophobicContact CD2-CG2 3.74Å; I66-V111 HydrophobicContact CB-CG1 4.37Å; I66-V111 HydrophobicContact CD1-CG1 4.36Å; I66-V111 HydrophobicContact CD1-CG2 4.4Å; I66-V111 HydrophobicContact CG2-CG1 3.48Å; I66-V111 VanDerWaalsContact CG2-CG1 3.48Å; W107-V111 WeakPolarHBondContact O-CB 3.3Å; W107-V111 VanDerWaalsContact O-CG2 3.28Å; W107-V111 WeakPolarHBondContact O-CG2 3.48Å; W107-V111 PolarHBondContact O-N 3.43Å; G108-V111 PolarHBondContact O-N 3.4Å; R109-V111 VanDerWaalsContact C-N 3.28Å; R109-V111 PolarHBondContact O-N 3.19Å; V111-L113 VanDerWaalsContact C-N 3.3Å; V111-L113 PolarHBondContact O-N 3.13Å; V111-F114 PolarHBondContact O-N 3.47Å; V111-Y115 VanDerWaalsContact O-CB 3.3Å; V111-Y115 WeakPolarHBondContact O-CB 3.32Å; V111-Y115 PolarHBondContact O-N 3.03Å; V111-L161 HydrophobicContact CG2-CD1 3.85Å; V111-L161 HydrophobicContact CG2-CG 4.48Å; V111-F165 HydrophobicContact CB-CE2 4.48Å; V111-F165 HydrophobicContact CB-CZ 4.34Å; V111-F165 HydrophobicContact CG2-CE2 3.66Å; V111-F165 HydrophobicContact CG2-CZ 3.99Å |
| 112 | A | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M99 G108 R109 Y115 F116 V177 L181 | M99-A112 HydrophobicContact CE-CB 3.72Å; M99-A112 HydrophobicContact SD-CB 3.65Å; G108-A112 PolarHBondContact O-N 2.9Å; R109-A112 PolarHBondContact O-N 2.83Å; A112-Y115 PolarHBondContact O-N 3.47Å; A112-F116 VanDerWaalsContact O-CB 3.27Å; A112-F116 WeakPolarHBondContact O-CB 3.47Å; A112-F116 PolarHBondContact O-N 2.8Å; A112-V177 HydrophobicContact CB-CG1 3.74Å; A112-L181 HydrophobicContact CB-CB 4.21Å |
| 113 | L | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.9 | -48.4 | 175.9 | -179.5 | 66.4 | 0 | 0 | 0 | 111.6 | F92 A96 M99 F100 R109 V110 V111 Y115 F116 A117 F143 L148 | F92-L113 HydrophobicContact CE2-CD1 3.97Å; F92-L113 HydrophobicContact CZ-CD1 3.81Å; A96-L113 HydrophobicContact CB-CD1 3.73Å; M99-L113 HydrophobicContact SD-CB 4.29Å; F100-L113 HydrophobicContact CE2-CB 4.45Å; F100-L113 HydrophobicContact CE2-CD2 4.33Å; R109-L113 PolarHBondContact O-N 2.57Å; V110-L113 PolarHBondContact O-N 3.12Å; V111-L113 VanDerWaalsContact C-N 3.3Å; V111-L113 PolarHBondContact O-N 3.13Å; L113-Y115 VanDerWaalsContact C-N 3.33Å; L113-Y115 PolarHBondContact O-N 2.92Å; L113-F116 PolarHBondContact O-N 3.01Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.4Å; L113-F143 HydrophobicContact CD2-CD1 3.55Å; L113-F143 HydrophobicContact CD2-CE1 4.02Å; L113-F143 HydrophobicContact CD2-CG 4.28Å; L113-L148 HydrophobicContact CD2-CD1 3.94Å |
| 114 | F | 96.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 178.8 | -87.5 | -127.4 | 0 | 0 | 0 | 111.8 | G23 L26 L27 V110 V111 S118 T140 W158 | G23-F114 WeakPolarHBondContact O-CE1 3.27Å; L26-F114 HydrophobicContact CB-CE1 4.08Å; L27-F114 HydrophobicContact CB-CD1 4.08Å; L27-F114 HydrophobicContact CB-CE1 3.84Å; L27-F114 HydrophobicContact CD1-CD1 4.14Å; L27-F114 HydrophobicContact CD1-CG 4.44Å; V110-F114 HydrophobicContact CG1-CD2 4.32Å; V110-F114 HydrophobicContact CG1-CE2 4.27Å; V110-F114 WeakPolarHBondContact O-CD2 3.44Å; V110-F114 PolarHBondContact O-N 2.95Å; V110-F114 VanDerWaalsContact O-N 3.08Å; V111-F114 PolarHBondContact O-N 3.47Å; F114-S118 WeakPolarHBondContact O-CB 3.26Å; F114-S118 PolarHBondContact O-N 3.4Å; F114-T140 HydrophobicContact CD2-CG2 4.34Å; F114-T140 HydrophobicContact CE2-CG2 4.25Å; F114-W158 HydrophobicContact CE1-CH2 4.16Å; F114-W158 AromaticContact CE2-CH2 3.98Å; F114-W158 HydrophobicContact CE2-CH2 3.98Å; F114-W158 AromaticContact CZ-CH2 3.54Å; F114-W158 HydrophobicContact CZ-CH2 3.54Å; F114-W158 HydrophobicContact CZ-CZ2 4.15Å; F114-W158 HydrophobicContact CZ-CZ3 4.43Å |
| 115 | Y | 96 | Very high | 93 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 174.6 | 179.9 | -98.9 | 0 | 0 | 0 | 112.1 | F30 L70 D71 L76 Q77 I80 V111 A112 L113 S118 K119 L181 | F30-Y115 HydrophobicContact CE1-CD2 4.12Å; F30-Y115 AromaticContact CZ-CD2 3.95Å; F30-Y115 HydrophobicContact CZ-CD2 3.95Å; L70-Y115 HydrophobicContact CB-CD1 4.34Å; L70-Y115 HydrophobicContact CB-CD2 4.1Å; L70-Y115 HydrophobicContact CB-CE1 4.01Å; L70-Y115 HydrophobicContact CB-CE2 3.75Å; L70-Y115 HydrophobicContact CB-CG 4.39Å; L70-Y115 HydrophobicContact CD1-CD1 3.88Å; L70-Y115 HydrophobicContact CD1-CD2 3.8Å; L70-Y115 HydrophobicContact CD1-CE1 4.39Å; L70-Y115 HydrophobicContact CD1-CE2 4.32Å; L70-Y115 HydrophobicContact CD1-CG 3.56Å; D71-Y115 WeakPolarHBondContact OD1-CE2 3.47Å; D71-Y115 PolarHBondContact OD1-OH 3.13Å; L76-Y115 HydrophobicContact CD2-CD1 4.36Å; L76-Y115 HydrophobicContact CD2-CE1 3.7Å; L76-Y115 HydrophobicContact CG-CE1 4.28Å; Q77-Y115 PolarHBondContact NE2-OH 3.33Å; I80-Y115 HydrophobicContact CD1-CD1 4.47Å; I80-Y115 HydrophobicContact CD1-CE1 3.67Å; V111-Y115 VanDerWaalsContact O-CB 3.3Å; V111-Y115 WeakPolarHBondContact O-CB 3.32Å; V111-Y115 PolarHBondContact O-N 3.03Å; A112-Y115 PolarHBondContact O-N 3.47Å; L113-Y115 VanDerWaalsContact C-N 3.33Å; L113-Y115 PolarHBondContact O-N 2.92Å; Y115-S118 PolarHBondContact O-N 3.14Å; Y115-S118 PolarHBondContact O-OG 2.99Å; Y115-K119 HydrophobicContact CD1-CG 4.36Å; Y115-K119 HydrophobicContact CE1-CD 4.48Å; Y115-K119 HydrophobicContact CE1-CG 3.92Å; Y115-K119 HydrophobicContact CE2-CD 4.2Å; Y115-K119 HydrophobicContact CE2-CG 4.2Å; Y115-K119 VanDerWaalsContact O-CG 3.26Å; Y115-K119 WeakPolarHBondContact O-CG 3.34Å; Y115-K119 PolarHBondContact O-N 3.39Å; Y115-L181 HydrophobicContact CD1-CD2 3.69Å; Y115-L181 HydrophobicContact CE1-CD2 4.24Å |
| 116 | F | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 177.3 | -177.4 | -123 | 0 | 0 | 0 | 111.9 | V83 V91 F92 V95 A112 L113 S118 K119 L120 L181 L185 | V83-F116 HydrophobicContact CG2-CE2 4.44Å; V91-F116 HydrophobicContact CG1-CZ 3.97Å; F92-F116 HydrophobicContact CD2-CD1 4.38Å; F92-F116 HydrophobicContact CD2-CE1 4.44Å; V95-F116 HydrophobicContact CB-CD1 4.19Å; V95-F116 HydrophobicContact CB-CE1 3.63Å; V95-F116 HydrophobicContact CB-CZ 4.15Å; V95-F116 HydrophobicContact CG1-CD1 3.8Å; V95-F116 HydrophobicContact CG1-CE1 3.68Å; V95-F116 HydrophobicContact CG1-CG 4.34Å; V95-F116 HydrophobicContact CG1-CZ 4.17Å; V95-F116 HydrophobicContact CG2-CE1 3.97Å; V95-F116 HydrophobicContact CG2-CZ 3.98Å; A112-F116 VanDerWaalsContact O-CB 3.27Å; A112-F116 WeakPolarHBondContact O-CB 3.47Å; A112-F116 PolarHBondContact O-N 2.8Å; L113-F116 PolarHBondContact O-N 3.01Å; F116-S118 VanDerWaalsContact C-N 3.34Å; F116-S118 PolarHBondContact O-N 3.26Å; F116-K119 PolarHBondContact O-N 2.88Å; F116-L120 HydrophobicContact CD1-CD1 4.37Å; F116-L120 HydrophobicContact CE1-CD1 3.83Å; F116-L120 HydrophobicContact CE1-CG 4.39Å; F116-L120 HydrophobicContact CE2-CD1 4.49Å; F116-L120 HydrophobicContact CE2-CD2 4.17Å; F116-L120 HydrophobicContact CE2-CG 4.2Å; F116-L120 HydrophobicContact CZ-CD1 3.88Å; F116-L120 HydrophobicContact CZ-CD2 4.07Å; F116-L120 HydrophobicContact CZ-CG 4.07Å; F116-L120 PolarHBondContact O-N 3.34Å; F116-L181 HydrophobicContact CB-CD1 3.88Å; F116-L181 HydrophobicContact CB-CD2 4.17Å; F116-L181 HydrophobicContact CD2-CD1 4.13Å; F116-L181 HydrophobicContact CG-CD1 4.01Å; F116-L185 HydrophobicContact CD2-CD2 4.45Å; F116-L185 HydrophobicContact CE2-CD2 3.74Å; F116-L185 HydrophobicContact CZ-CD2 4.06Å |
| 117 | A | 95 | Very high | 92 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L27 F92 L113 K119 L120 V121 I136 T140 | L27-A117 HydrophobicContact CD1-CB 4.17Å; F92-A117 HydrophobicContact CE2-CB 4Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.4Å; A117-K119 VanDerWaalsContact C-N 3.31Å; A117-K119 PolarHBondContact O-N 2.63Å; A117-L120 PolarHBondContact O-N 3.44Å; A117-V121 WeakPolarHBondContact O-CG2 3.37Å; A117-V121 PolarHBondContact O-N 3.19Å; A117-I136 HydrophobicContact CB-CG2 4.26Å; A117-T140 HydrophobicContact CB-CG2 4.1Å; A117-T140 VanDerWaalsContact CB-OG1 3.27Å; A117-T140 WeakPolarHBondContact CB-OG1 3.35Å |
| 118 | S | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 179.7 | 74.3 | 0 | 0 | 0 | 0 | 111.5 | F114 Y115 F116 L120 V121 L122 | F114-S118 WeakPolarHBondContact O-CB 3.26Å; F114-S118 PolarHBondContact O-N 3.4Å; Y115-S118 PolarHBondContact O-N 3.14Å; Y115-S118 PolarHBondContact O-OG 2.99Å; F116-S118 VanDerWaalsContact C-N 3.34Å; F116-S118 PolarHBondContact O-N 3.26Å; S118-L120 PolarHBondContact O-N 2.86Å; S118-V121 WeakPolarHBondContact O-CB 3.41Å; S118-V121 PolarHBondContact O-N 3.39Å; S118-L122 WeakPolarHBondContact O-CG 3.49Å; S118-L122 PolarHBondContact O-N 3.33Å |
| 119 | K | 92.7 | Very high | 90.5 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 176.8 | -63.7 | -70.5 | -76.2 | -162.3 | 0 | 112.8 | D71 Q77 I80 Y115 F116 A117 V121 L122 K123 | D71-K119 IonicContact OD1-NZ 3.19Å; D71-K119 PolarHBondContact OD1-NZ 2.88Å; Q77-K119 VanDerWaalsContact OE1-CE 3.29Å; I80-K119 HydrophobicContact CD1-CB 4.31Å; I80-K119 HydrophobicContact CD1-CG 4.01Å; I80-K119 HydrophobicContact CG2-CB 3.8Å; I80-K119 HydrophobicContact CG2-CG 4.39Å; Y115-K119 HydrophobicContact CD1-CG 4.36Å; Y115-K119 HydrophobicContact CE1-CD 4.48Å; Y115-K119 HydrophobicContact CE1-CG 3.92Å; Y115-K119 HydrophobicContact CE2-CD 4.2Å; Y115-K119 HydrophobicContact CE2-CG 4.2Å; Y115-K119 VanDerWaalsContact O-CG 3.26Å; Y115-K119 WeakPolarHBondContact O-CG 3.34Å; Y115-K119 PolarHBondContact O-N 3.39Å; F116-K119 PolarHBondContact O-N 2.88Å; A117-K119 VanDerWaalsContact C-N 3.31Å; A117-K119 PolarHBondContact O-N 2.63Å; K119-V121 VanDerWaalsContact C-N 3.35Å; K119-L122 HydrophobicContact CD-CD1 4.28Å; K119-L122 PolarHBondContact O-N 2.86Å; K119-K123 WeakPolarHBondContact O-CG 3.45Å; K119-K123 PolarHBondContact O-N 3.36Å |
| 120 | L | 92 | Very high | 89.6 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.2 | -66.8 | -178.6 | 0 | 0 | 0 | 111.7 | V83 F92 F116 A117 S118 K123 A124 I136 | V83-L120 HydrophobicContact CG1-CD2 4.04Å; F92-L120 HydrophobicContact CB-CD1 4.12Å; F92-L120 HydrophobicContact CD2-CD1 3.99Å; F116-L120 HydrophobicContact CD1-CD1 4.37Å; F116-L120 HydrophobicContact CE1-CD1 3.83Å; F116-L120 HydrophobicContact CE1-CG 4.39Å; F116-L120 HydrophobicContact CE2-CD1 4.49Å; F116-L120 HydrophobicContact CE2-CD2 4.17Å; F116-L120 HydrophobicContact CE2-CG 4.2Å; F116-L120 HydrophobicContact CZ-CD1 3.88Å; F116-L120 HydrophobicContact CZ-CD2 4.07Å; F116-L120 HydrophobicContact CZ-CG 4.07Å; F116-L120 PolarHBondContact O-N 3.34Å; A117-L120 PolarHBondContact O-N 3.44Å; S118-L120 PolarHBondContact O-N 2.86Å; L120-K123 PolarHBondContact O-N 2.91Å; L120-A124 PolarHBondContact O-N 3.08Å; L120-I136 HydrophobicContact CB-CD1 3.83Å; L120-I136 HydrophobicContact CB-CG2 4.3Å |
| 121 | V | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | I31 A117 S118 K119 K123 A124 L125 I133 I136 | I31-V121 HydrophobicContact CD1-CB 4.22Å; I31-V121 HydrophobicContact CD1-CG1 4.14Å; I31-V121 HydrophobicContact CD1-CG2 3.93Å; I31-V121 HydrophobicContact CG1-CB 4.37Å; I31-V121 HydrophobicContact CG1-CG1 4.28Å; I31-V121 HydrophobicContact CG2-CB 4.37Å; I31-V121 HydrophobicContact CG2-CG1 3.49Å; I31-V121 VanDerWaalsContact CG2-CG1 3.49Å; A117-V121 WeakPolarHBondContact O-CG2 3.37Å; A117-V121 PolarHBondContact O-N 3.19Å; S118-V121 WeakPolarHBondContact O-CB 3.41Å; S118-V121 PolarHBondContact O-N 3.39Å; K119-V121 VanDerWaalsContact C-N 3.35Å; V121-K123 VanDerWaalsContact C-N 3.33Å; V121-K123 PolarHBondContact O-N 3.29Å; V121-A124 WeakPolarHBondContact O-CB 3.46Å; V121-A124 PolarHBondContact O-N 3.3Å; V121-L125 HydrophobicContact CG1-CD1 4.3Å; V121-L125 PolarHBondContact O-N 2.97Å; V121-I133 HydrophobicContact CG1-CB 4.32Å; V121-I133 HydrophobicContact CG1-CG1 4.11Å; V121-I133 HydrophobicContact CG1-CG2 3.77Å; V121-I136 HydrophobicContact CG2-CB 3.79Å; V121-I136 HydrophobicContact CG2-CD1 4.02Å; V121-I136 HydrophobicContact CG2-CG2 3.69Å |
| 122 | L | 88.9 | Confident | 88.5 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -37.3 | 178 | -63.5 | 164.8 | 0 | 0 | 0 | 111.5 | R34 A35 M38 S118 K119 L125 C126 | R34-L122 HydrophobicContact CB-CD1 3.55Å; R34-L122 HydrophobicContact CB-CD2 4.03Å; R34-L122 HydrophobicContact CB-CG 4.4Å; R34-L122 HydrophobicContact CG-CD1 4.4Å; A35-L122 HydrophobicContact CB-CD2 3.83Å; M38-L122 HydrophobicContact CE-CB 3.95Å; M38-L122 HydrophobicContact CE-CD2 3.62Å; M38-L122 HydrophobicContact CE-CG 4.31Å; S118-L122 WeakPolarHBondContact O-CG 3.49Å; S118-L122 PolarHBondContact O-N 3.33Å; K119-L122 HydrophobicContact CD-CD1 4.28Å; K119-L122 PolarHBondContact O-N 2.86Å; L122-L125 HydrophobicContact CD2-CD1 4.25Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 3.02Å; L122-C126 PolarHBondContact O-N 3.41Å; L122-C126 PolarHBondContact O-SG 3.5Å |
| 123 | K | 87.2 | Confident | 88.1 | Confident | 50 Ų | 50 | 34.9 Ų | 34.9 | 22% | 0.217 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 171 | -73.1 | -174.6 | 84.4 | 165.4 | 0 | 111.2 | I80 A81 V83 T85 K119 L120 V121 L125 C126 T127 | I80-K123 PolarHBondContact O-NZ 3.43Å; A81-K123 PolarHBondContact O-NZ 3Å; V83-K123 PolarHBondContact O-NZ 3.47Å; T85-K123 HydrophobicContact CG2-CB 4.25Å; T85-K123 HydrophobicContact CG2-CD 4.39Å; K119-K123 WeakPolarHBondContact O-CG 3.45Å; K119-K123 PolarHBondContact O-N 3.36Å; L120-K123 PolarHBondContact O-N 2.91Å; V121-K123 VanDerWaalsContact C-N 3.33Å; V121-K123 PolarHBondContact O-N 3.29Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.26Å; K123-C126 PolarHBondContact O-N 2.96Å; K123-C126 VanDerWaalsContact O-N 3.15Å; K123-T127 PolarHBondContact O-N 3.42Å; K123-T127 PolarHBondContact O-OG1 2.93Å; K123-T127 VanDerWaalsContact O-OG1 3.13Å |
| 124 | A | 86.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L120 V121 T127 K128 V129 L132 I136 | L120-A124 PolarHBondContact O-N 3.08Å; V121-A124 WeakPolarHBondContact O-CB 3.46Å; V121-A124 PolarHBondContact O-N 3.3Å; A124-T127 WeakPolarHBondContact CA-OG1 3.36Å; A124-T127 CarbonylContact O-C 3.45Å; A124-T127 PolarHBondContact O-N 3.28Å; A124-T127 PolarHBondContact O-OG1 2.99Å; A124-K128 PolarHBondContact O-N 3.48Å; A124-K128 VanDerWaalsContact O-N 3.13Å; A124-V129 PolarHBondContact O-N 3.33Å; A124-L132 HydrophobicContact CB-CB 3.79Å; A124-L132 HydrophobicContact CB-CD1 4.27Å; A124-I136 HydrophobicContact CB-CD1 4.45Å |
| 125 | L | 84.6 | Confident | 87.5 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 172.8 | -80.3 | 166.9 | 0 | 0 | 0 | 111.6 | A35 T42 E44 L45 V121 L122 K123 T127 K128 I133 | A35-L125 HydrophobicContact CB-CD1 4.06Å; T42-L125 HydrophobicContact CG2-CD1 4.15Å; T42-L125 HydrophobicContact CG2-CD2 3.73Å; E44-L125 HydrophobicContact CB-CD2 4.17Å; L45-L125 HydrophobicContact CD1-CD1 4.37Å; L45-L125 HydrophobicContact CG-CD1 4.47Å; V121-L125 HydrophobicContact CG1-CD1 4.3Å; V121-L125 PolarHBondContact O-N 2.97Å; L122-L125 HydrophobicContact CD2-CD1 4.25Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 3.02Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.26Å; L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 3.39Å; L125-K128 PolarHBondContact O-N 3.29Å; L125-I133 HydrophobicContact CD1-CD1 4.48Å; L125-I133 HydrophobicContact CD2-CD1 3.4Å; L125-I133 HydrophobicContact CD2-CG1 4.47Å; L125-I133 HydrophobicContact CG-CD1 3.73Å; L125-I133 HydrophobicContact CG-CG1 4.33Å |
| 126 | C | 83.3 | Confident | 87.3 | Confident | 89 Ų | 89 | 44.7 Ų | 44.7 | 60% | 0.601 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.9 | -33.3 | 177.2 | -67 | 0 | 0 | 0 | 0 | 112.7 | L122 K123 K128 | L122-C126 PolarHBondContact O-N 3.41Å; L122-C126 PolarHBondContact O-SG 3.5Å; K123-C126 PolarHBondContact O-N 2.96Å; K123-C126 VanDerWaalsContact O-N 3.15Å; C126-K128 VanDerWaalsContact C-N 3.28Å; C126-K128 PolarHBondContact O-N 2.99Å |
| 127 | T | 81.6 | Confident | 87.2 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 2.2 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | K123 A124 L125 V129 | K123-T127 PolarHBondContact O-N 3.42Å; K123-T127 PolarHBondContact O-OG1 2.93Å; K123-T127 VanDerWaalsContact O-OG1 3.13Å; A124-T127 WeakPolarHBondContact CA-OG1 3.36Å; A124-T127 CarbonylContact O-C 3.45Å; A124-T127 PolarHBondContact O-N 3.28Å; A124-T127 PolarHBondContact O-OG1 2.99Å; L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 3.39Å; T127-V129 PolarHBondContact O-N 3.32Å |
| 128 | K | 78.9 | Confident | 87.2 | Confident | 179 Ų | 179 | 46.8 Ų | 46.8 | 78% | 0.778 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 43.3 | -178.3 | -56.6 | -175.1 | 178.5 | -178.4 | 0 | 113.7 | A124 L125 C126 P130 | A124-K128 PolarHBondContact O-N 3.48Å; A124-K128 VanDerWaalsContact O-N 3.13Å; L125-K128 PolarHBondContact O-N 3.29Å; C126-K128 VanDerWaalsContact C-N 3.28Å; C126-K128 PolarHBondContact O-N 2.99Å; K128-P130 VanDerWaalsContact O-CD 3.27Å; K128-P130 WeakPolarHBondContact O-CD 3.45Å |
| 129 | V | 79.7 | Confident | 87.3 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | trans | -116.5 | 71.1 | 174.6 | -165.9 | 0 | 0 | 0 | 0 | 109.6 | A124 T127 E131 L132 | A124-V129 PolarHBondContact O-N 3.33Å; T127-V129 PolarHBondContact O-N 3.32Å; V129-E131 PolarHBondContact O-N 3.34Å; V129-E131 VanDerWaalsContact O-N 3.14Å; V129-L132 HydrophobicContact CB-CD1 4.01Å; V129-L132 HydrophobicContact CB-CG 4.29Å; V129-L132 HydrophobicContact CG1-CB 4.34Å; V129-L132 HydrophobicContact CG1-CD1 3.8Å; V129-L132 HydrophobicContact CG1-CG 3.7Å; V129-L132 WeakPolarHBondContact O-CB 3.25Å; V129-L132 PolarHBondContact O-N 3.33Å; V129-L132 VanDerWaalsContact O-N 3.07Å | ||
| 130 | P | 76.4 | Confident | 87.5 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.8 | -176.2 | 14.9 | -28.7 | 0 | 0 | 0 | 114.2 | E44 K128 L132 I133 | E44-P130 HydrophobicContact CB-CB 4.27Å; E44-P130 HydrophobicContact CG-CB 4.35Å; E44-P130 WeakPolarHBondContact OE1-CG 3.25Å; E44-P130 WeakPolarHBondContact OE2-CB 3.48Å; K128-P130 VanDerWaalsContact O-CD 3.27Å; K128-P130 WeakPolarHBondContact O-CD 3.45Å; P130-L132 PolarHBondContact O-N 3.48Å; P130-I133 HydrophobicContact CB-CD1 4.37Å; P130-I133 WeakPolarHBondContact O-CB 3.41Å; P130-I133 VanDerWaalsContact O-CG1 3.24Å; P130-I133 WeakPolarHBondContact O-CG1 3.28Å; P130-I133 PolarHBondContact O-N 2.92Å |
| 131 | E | 81.9 | Confident | 87.7 | Confident | 119 Ų | 119 | 47.7 Ų | 47.7 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.7 | -25.9 | -178.9 | -59.4 | -54 | 155 | 0 | 0 | 112.7 | V129 I133 R134 T135 | V129-E131 PolarHBondContact O-N 3.34Å; V129-E131 VanDerWaalsContact O-N 3.14Å; E131-I133 PolarHBondContact O-N 3.06Å; E131-R134 IonicContact OE2-NH1 3.45Å; E131-R134 PolarHBondContact OE2-NH1 2.85Å; E131-T135 PolarHBondContact O-N 3.45Å; E131-T135 PolarHBondContact O-OG1 3.42Å |
| 132 | L | 85.6 | Confident | 88 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -25 | 173.3 | -74.9 | 178.5 | 0 | 0 | 0 | 112.3 | P88 A124 V129 P130 T135 I136 | P88-L132 HydrophobicContact CG-CD1 4.21Å; P88-L132 HydrophobicContact CG-CD2 3.87Å; A124-L132 HydrophobicContact CB-CB 3.79Å; A124-L132 HydrophobicContact CB-CD1 4.27Å; V129-L132 HydrophobicContact CB-CD1 4.01Å; V129-L132 HydrophobicContact CB-CG 4.29Å; V129-L132 HydrophobicContact CG1-CB 4.34Å; V129-L132 HydrophobicContact CG1-CD1 3.8Å; V129-L132 HydrophobicContact CG1-CG 3.7Å; V129-L132 WeakPolarHBondContact O-CB 3.25Å; V129-L132 PolarHBondContact O-N 3.33Å; V129-L132 VanDerWaalsContact O-N 3.07Å; P130-L132 PolarHBondContact O-N 3.48Å; L132-T135 PolarHBondContact O-N 3.45Å; L132-I136 HydrophobicContact CB-CD1 4.31Å; L132-I136 WeakPolarHBondContact O-CB 3.31Å; L132-I136 WeakPolarHBondContact O-CD1 3.44Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.22Å |
| 133 | I | 87.3 | Confident | 88.3 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -56.5 | -179.7 | -57.1 | 174.1 | 0 | 0 | 0 | 110.2 | E44 L45 V121 L125 P130 E131 T135 I136 M137 | E44-I133 HydrophobicContact CB-CD1 4.22Å; L45-I133 HydrophobicContact CD2-CD1 4.18Å; L45-I133 HydrophobicContact CD2-CG2 3.72Å; V121-I133 HydrophobicContact CG1-CB 4.32Å; V121-I133 HydrophobicContact CG1-CG1 4.11Å; V121-I133 HydrophobicContact CG1-CG2 3.77Å; L125-I133 HydrophobicContact CD1-CD1 4.48Å; L125-I133 HydrophobicContact CD2-CD1 3.4Å; L125-I133 HydrophobicContact CD2-CG1 4.47Å; L125-I133 HydrophobicContact CG-CD1 3.73Å; L125-I133 HydrophobicContact CG-CG1 4.33Å; P130-I133 HydrophobicContact CB-CD1 4.37Å; P130-I133 WeakPolarHBondContact O-CB 3.41Å; P130-I133 VanDerWaalsContact O-CG1 3.24Å; P130-I133 WeakPolarHBondContact O-CG1 3.28Å; P130-I133 PolarHBondContact O-N 2.92Å; E131-I133 PolarHBondContact O-N 3.06Å; I133-T135 PolarHBondContact O-N 3.36Å; I133-I136 PolarHBondContact O-N 2.95Å; I133-M137 HydrophobicContact CG2-SD 4.18Å; I133-M137 WeakPolarHBondContact O-CG 3.44Å; I133-M137 PolarHBondContact O-N 3.42Å |
| 134 | R | 87.3 | Confident | 88.7 | Confident | 151 Ų | 151 | 47.9 Ų | 47.9 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.2 | -36.9 | 178.7 | -66.3 | -171.9 | -177 | 100.1 | 3.4 | 111 | E131 G138 | E131-R134 IonicContact OE2-NH1 3.45Å; E131-R134 PolarHBondContact OE2-NH1 2.85Å; R134-G138 PolarHBondContact O-N 3.33Å |
| 135 | T | 92.3 | Very high | 89.2 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | -179.4 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | E131 L132 I133 G138 W139 | E131-T135 PolarHBondContact O-N 3.45Å; E131-T135 PolarHBondContact O-OG1 3.42Å; L132-T135 PolarHBondContact O-N 3.45Å; I133-T135 PolarHBondContact O-N 3.36Å; T135-G138 PolarHBondContact O-N 3.01Å; T135-W139 HydrophobicContact CG2-CD2 4.26Å; T135-W139 VanDerWaalsContact CG2-CE2 3.43Å; T135-W139 HydrophobicContact CG2-CH2 3.73Å; T135-W139 HydrophobicContact CG2-CZ2 3.15Å; T135-W139 HydrophobicContact CG2-CZ3 4.5Å; T135-W139 PolarHBondContact O-N 2.64Å |
| 136 | I | 93.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.3 | -65.2 | 158.2 | 0 | 0 | 0 | 110.9 | A117 L120 V121 A124 L132 I133 G138 W139 T140 | A117-I136 HydrophobicContact CB-CG2 4.26Å; L120-I136 HydrophobicContact CB-CD1 3.83Å; L120-I136 HydrophobicContact CB-CG2 4.3Å; V121-I136 HydrophobicContact CG2-CB 3.79Å; V121-I136 HydrophobicContact CG2-CD1 4.02Å; V121-I136 HydrophobicContact CG2-CG2 3.69Å; A124-I136 HydrophobicContact CB-CD1 4.45Å; L132-I136 HydrophobicContact CB-CD1 4.31Å; L132-I136 WeakPolarHBondContact O-CB 3.31Å; L132-I136 WeakPolarHBondContact O-CD1 3.44Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.22Å; I133-I136 PolarHBondContact O-N 2.95Å; I136-G138 VanDerWaalsContact C-N 3.31Å; I136-G138 PolarHBondContact O-N 3.24Å; I136-W139 HydrophobicContact CB-CE3 4.35Å; I136-W139 HydrophobicContact CG1-CE3 4.01Å; I136-W139 HydrophobicContact CG1-CZ3 3.7Å; I136-W139 PolarHBondContact O-N 2.74Å; I136-T140 PolarHBondContact O-N 2.88Å; I136-T140 PolarHBondContact O-OG1 2.91Å |
| 137 | M | 93.2 | Very high | 90.3 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 173.7 | -70 | -177 | 70.7 | 0 | 0 | 111.2 | L27 Q28 I31 L47 I133 T140 L141 | L27-M137 HydrophobicContact CD2-CB 4.18Å; L27-M137 HydrophobicContact CD2-CE 4.45Å; L27-M137 HydrophobicContact CD2-CG 4.05Å; L27-M137 HydrophobicContact CG-CE 4.47Å; Q28-M137 HydrophobicContact CB-CE 4.04Å; I31-M137 HydrophobicContact CD1-CE 4.47Å; I31-M137 HydrophobicContact CD1-CG 3.82Å; I31-M137 HydrophobicContact CD1-SD 3.97Å; L47-M137 HydrophobicContact CD1-CE 3.75Å; L47-M137 HydrophobicContact CD1-SD 3.74Å; I133-M137 HydrophobicContact CG2-SD 4.18Å; I133-M137 WeakPolarHBondContact O-CG 3.44Å; I133-M137 PolarHBondContact O-N 3.42Å; M137-T140 PolarHBondContact O-N 3.29Å; M137-L141 WeakPolarHBondContact O-CG 2.84Å; M137-L141 PolarHBondContact O-N 3.3Å |
| 138 | G | 94.9 | Very high | 91 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.4 | -54 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R134 T135 I136 T140 L141 D142 | R134-G138 PolarHBondContact O-N 3.33Å; T135-G138 PolarHBondContact O-N 3.01Å; I136-G138 VanDerWaalsContact C-N 3.31Å; I136-G138 PolarHBondContact O-N 3.24Å; G138-T140 VanDerWaalsContact C-N 3.26Å; G138-T140 PolarHBondContact O-N 2.82Å; G138-L141 PolarHBondContact O-N 3.08Å; G138-L141 VanDerWaalsContact O-N 3.1Å; G138-D142 WeakPolarHBondContact O-CB 3.38Å; G138-D142 VanDerWaalsContact O-CG 3.26Å; G138-D142 PolarHBondContact O-N 3.15Å |
| 139 | W | 95.6 | Very high | 91.8 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -37.8 | 178.3 | -58.1 | -26.6 | 0 | 0 | 0 | 113.3 | P88 R89 F92 F93 T135 I136 D142 F143 | P88-W139 HydrophobicContact CB-CH2 4.5Å; P88-W139 HydrophobicContact CB-CZ3 4.31Å; P88-W139 HydrophobicContact CG-CH2 4.27Å; R89-W139 VanDerWaalsContact CA-CZ3 3.44Å; R89-W139 HydrophobicContact CB-CH2 3.39Å; R89-W139 HydrophobicContact CB-CZ2 3.38Å; R89-W139 HydrophobicContact CB-CZ3 4.03Å; R89-W139 HydrophobicContact CG-CD2 4.34Å; R89-W139 HydrophobicContact CG-CH2 4.01Å; R89-W139 HydrophobicContact CG-CZ2 3.51Å; F92-W139 HydrophobicContact CB-CE3 4.01Å; F92-W139 HydrophobicContact CB-CZ3 4.44Å; F92-W139 HydrophobicContact CD1-CB 3.69Å; F92-W139 HydrophobicContact CD1-CE3 4.3Å; F92-W139 HydrophobicContact CD1-CG 4.43Å; F92-W139 HydrophobicContact CE1-CB 3.61Å; F92-W139 HydrophobicContact CG-CB 4.48Å; F92-W139 HydrophobicContact CG-CE3 4.13Å; F92-W139 HydrophobicContact CZ-CB 4.34Å; F93-W139 HydrophobicContact CE2-CB 3.99Å; F93-W139 AromaticContact CE2-CD1 3.78Å; F93-W139 HydrophobicContact CE2-CD2 4.13Å; F93-W139 AromaticContact CE2-CG 3.69Å; F93-W139 HydrophobicContact CE2-CG 3.69Å; F93-W139 HydrophobicContact CZ-CB 3.86Å; F93-W139 AromaticContact CZ-CD1 3.99Å; F93-W139 AromaticContact CZ-CG 3.96Å; F93-W139 HydrophobicContact CZ-CG 3.96Å; T135-W139 HydrophobicContact CG2-CD2 4.26Å; T135-W139 VanDerWaalsContact CG2-CE2 3.43Å; T135-W139 HydrophobicContact CG2-CH2 3.73Å; T135-W139 HydrophobicContact CG2-CZ2 3.15Å; T135-W139 HydrophobicContact CG2-CZ3 4.5Å; T135-W139 PolarHBondContact O-N 2.64Å; I136-W139 HydrophobicContact CB-CE3 4.35Å; I136-W139 HydrophobicContact CG1-CE3 4.01Å; I136-W139 HydrophobicContact CG1-CZ3 3.7Å; I136-W139 PolarHBondContact O-N 2.74Å; W139-D142 PolarHBondContact O-N 3.18Å; W139-F143 WeakPolarHBondContact O-CB 3.45Å; W139-F143 PolarHBondContact O-N 2.95Å |
| 140 | T | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 178.2 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | L27 F114 A117 I136 M137 G138 L144 | L27-T140 HydrophobicContact CD1-CG2 4.35Å; L27-T140 HydrophobicContact CD2-CG2 3.71Å; F114-T140 HydrophobicContact CD2-CG2 4.34Å; F114-T140 HydrophobicContact CE2-CG2 4.25Å; A117-T140 HydrophobicContact CB-CG2 4.1Å; A117-T140 VanDerWaalsContact CB-OG1 3.27Å; A117-T140 WeakPolarHBondContact CB-OG1 3.35Å; I136-T140 PolarHBondContact O-N 2.88Å; I136-T140 PolarHBondContact O-OG1 2.91Å; M137-T140 PolarHBondContact O-N 3.29Å; G138-T140 VanDerWaalsContact C-N 3.26Å; G138-T140 PolarHBondContact O-N 2.82Å; T140-L144 WeakPolarHBondContact O-CB 3.44Å; T140-L144 PolarHBondContact O-N 3.25Å |
| 141 | L | 96.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.4 | -32.9 | 178 | -65.5 | 178.5 | 0 | 0 | 0 | 112.5 | M20 A24 M137 G138 L144 R145 | M20-L141 HydrophobicContact CE-CB 4.04Å; M20-L141 HydrophobicContact CE-CD2 4.27Å; M20-L141 VanDerWaalsContact CE-O 3.25Å; M20-L141 WeakPolarHBondContact CE-O 3.34Å; A24-L141 HydrophobicContact CB-CD1 3.92Å; A24-L141 HydrophobicContact CB-CD2 4.04Å; M137-L141 WeakPolarHBondContact O-CG 2.84Å; M137-L141 PolarHBondContact O-N 3.3Å; G138-L141 PolarHBondContact O-N 3.08Å; G138-L141 VanDerWaalsContact O-N 3.1Å; L141-L144 HydrophobicContact CD2-CD2 4.05Å; L141-L144 WeakPolarHBondContact O-CB 3.2Å; L141-L144 PolarHBondContact O-N 2.92Å; L141-R145 WeakPolarHBondContact O-CB 3.48Å; L141-R145 PolarHBondContact O-N 3.4Å |
| 142 | D | 96.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.1 | -45.3 | 173.5 | -67.5 | -23.3 | 0 | 0 | 0 | 110.4 | G138 W139 L144 R145 E146 | G138-D142 WeakPolarHBondContact O-CB 3.38Å; G138-D142 VanDerWaalsContact O-CG 3.26Å; G138-D142 PolarHBondContact O-N 3.15Å; W139-D142 PolarHBondContact O-N 3.18Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.49Å; D142-R145 PolarHBondContact O-N 3.49Å; D142-R145 VanDerWaalsContact O-N 3.17Å; D142-R145 IonicContact OD1-NH1 2.91Å; D142-R145 PolarHBondContact OD1-NH1 3.23Å; D142-E146 WeakPolarHBondContact O-CB 3.24Å; D142-E146 VanDerWaalsContact O-CG 3.32Å; D142-E146 WeakPolarHBondContact O-CG 3.34Å; D142-E146 PolarHBondContact O-N 3.18Å |
| 143 | F | 95.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 174 | -165.7 | -81.8 | 0 | 0 | 0 | 111.9 | A96 F100 L113 W139 R145 E146 R147 L148 | A96-F143 HydrophobicContact CB-CD2 4.04Å; A96-F143 HydrophobicContact CB-CE2 3.74Å; A96-F143 HydrophobicContact CB-CZ 4.09Å; F100-F143 AromaticContact CD2-CE1 3.69Å; F100-F143 HydrophobicContact CD2-CE1 3.69Å; F100-F143 AromaticContact CD2-CZ 3.64Å; F100-F143 HydrophobicContact CD2-CZ 3.64Å; F100-F143 AromaticContact CE2-CE1 3.73Å; F100-F143 HydrophobicContact CE2-CE1 3.73Å; F100-F143 HydrophobicContact CE2-CZ 4.13Å; F100-F143 HydrophobicContact CG-CE1 4.48Å; F100-F143 HydrophobicContact CG-CZ 4.37Å; L113-F143 HydrophobicContact CD2-CD1 3.55Å; L113-F143 HydrophobicContact CD2-CE1 4.02Å; L113-F143 HydrophobicContact CD2-CG 4.28Å; W139-F143 WeakPolarHBondContact O-CB 3.45Å; W139-F143 PolarHBondContact O-N 2.95Å; F143-R145 VanDerWaalsContact C-N 3.34Å; F143-R145 PolarHBondContact O-N 2.85Å; F143-E146 PolarHBondContact O-N 3.21Å; F143-R147 HydrophobicContact CD1-CB 4.06Å; F143-R147 HydrophobicContact CD1-CG 4.42Å; F143-R147 HydrophobicContact CD2-CG 4.25Å; F143-R147 HydrophobicContact CE1-CB 3.78Å; F143-R147 HydrophobicContact CE1-CG 4.19Å; F143-R147 HydrophobicContact CE2-CG 4.02Å; F143-R147 HydrophobicContact CG-CG 4.45Å; F143-R147 HydrophobicContact CZ-CB 4.03Å; F143-R147 HydrophobicContact CZ-CG 3.99Å; F143-R147 WeakPolarHBondContact O-CB 3.28Å; F143-R147 PolarHBondContact O-N 3.48Å; F143-L148 HydrophobicContact CD1-CD1 4.13Å; F143-L148 HydrophobicContact CD1-CG 4.17Å; F143-L148 HydrophobicContact CE1-CD1 4.31Å; F143-L148 HydrophobicContact CE1-CD2 4.39Å; F143-L148 HydrophobicContact CE1-CG 4.15Å |
| 144 | L | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -56.1 | -50 | 173.3 | 174.3 | 64.5 | 0 | 0 | 0 | 110.7 | M20 T140 L141 D142 L148 L149 I152 W158 | M20-L144 HydrophobicContact CE-CB 4.48Å; M20-L144 HydrophobicContact CE-CD2 3.98Å; M20-L144 HydrophobicContact CE-CG 4.28Å; M20-L144 HydrophobicContact SD-CB 4.49Å; M20-L144 HydrophobicContact SD-CD2 3.85Å; M20-L144 HydrophobicContact SD-CG 3.83Å; T140-L144 WeakPolarHBondContact O-CB 3.44Å; T140-L144 PolarHBondContact O-N 3.25Å; L141-L144 HydrophobicContact CD2-CD2 4.05Å; L141-L144 WeakPolarHBondContact O-CB 3.2Å; L141-L144 PolarHBondContact O-N 2.92Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.49Å; L144-L148 HydrophobicContact CD1-CB 3.9Å; L144-L148 HydrophobicContact CD1-CD1 4.3Å; L144-L148 CarbonylContact O-C 3.56Å; L144-L148 PolarHBondContact O-N 3.38Å; L144-L148 VanDerWaalsContact O-N 3.11Å; L144-L149 WeakPolarHBondContact O-CB 3.4Å; L144-L149 PolarHBondContact O-N 2.87Å; L144-I152 HydrophobicContact CD1-CD1 3.37Å; L144-W158 HydrophobicContact CD1-CH2 4.24Å; L144-W158 HydrophobicContact CD1-CZ2 3.86Å; L144-W158 HydrophobicContact CD2-CZ2 4.03Å |
| 145 | R | 96.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 47.8 Ų | 47.8 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -63.4 | -45.6 | -178.8 | -173.3 | -177.8 | -64.2 | 116.5 | -1.6 | 112.3 | M20 L141 D142 F143 L149 | M20-R145 HydrophobicContact CE-CB 3.97Å; M20-R145 HydrophobicContact SD-CB 3.86Å; M20-R145 HydrophobicContact SD-CG 4.38Å; L141-R145 WeakPolarHBondContact O-CB 3.48Å; L141-R145 PolarHBondContact O-N 3.4Å; D142-R145 PolarHBondContact O-N 3.49Å; D142-R145 VanDerWaalsContact O-N 3.17Å; D142-R145 IonicContact OD1-NH1 2.91Å; D142-R145 PolarHBondContact OD1-NH1 3.23Å; F143-R145 VanDerWaalsContact C-N 3.34Å; F143-R145 PolarHBondContact O-N 2.85Å; R145-L149 HydrophobicContact CG-CD2 4.37Å; R145-L149 VanDerWaalsContact O-CB 3.25Å; R145-L149 WeakPolarHBondContact O-CB 3.28Å |
| 146 | E | 95.3 | Very high | 95.5 | Very high | 146 Ų | 146 | 47 Ų | 47 | 68% | 0.682 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -81.8 | -33.4 | -171.3 | -69.7 | 176.2 | -174.8 | 0 | 0 | 113.4 | D142 F143 | D142-E146 WeakPolarHBondContact O-CB 3.24Å; D142-E146 VanDerWaalsContact O-CG 3.32Å; D142-E146 WeakPolarHBondContact O-CG 3.34Å; D142-E146 PolarHBondContact O-N 3.18Å; F143-E146 PolarHBondContact O-N 3.21Å |
| 147 | R | 94.1 | Very high | 95.6 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -118.1 | -31.8 | -168.6 | -60.6 | -61.6 | -58.9 | -79.3 | -3.9 | 114.4 | F143 | F143-R147 HydrophobicContact CD1-CB 4.06Å; F143-R147 HydrophobicContact CD1-CG 4.42Å; F143-R147 HydrophobicContact CD2-CG 4.25Å; F143-R147 HydrophobicContact CE1-CB 3.78Å; F143-R147 HydrophobicContact CE1-CG 4.19Å; F143-R147 HydrophobicContact CE2-CG 4.02Å; F143-R147 HydrophobicContact CG-CG 4.45Å; F143-R147 HydrophobicContact CZ-CB 4.03Å; F143-R147 HydrophobicContact CZ-CG 3.99Å; F143-R147 WeakPolarHBondContact O-CB 3.28Å; F143-R147 PolarHBondContact O-N 3.48Å |
| 148 | L | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -108.1 | -21.6 | -171.1 | -58.9 | 178 | 0 | 0 | 0 | 113.1 | F100 F105 V110 L113 F143 L144 G150 W151 I152 | F100-L148 HydrophobicContact CD1-CD2 4.34Å; F100-L148 HydrophobicContact CE1-CD2 3.74Å; F100-L148 HydrophobicContact CZ-CD1 4.43Å; F100-L148 HydrophobicContact CZ-CD2 3.89Å; F105-L148 HydrophobicContact CD1-CD2 3.58Å; F105-L148 HydrophobicContact CE1-CD2 3.85Å; V110-L148 HydrophobicContact CG1-CD1 4.41Å; V110-L148 HydrophobicContact CG2-CD1 4.13Å; V110-L148 HydrophobicContact CG2-CD2 4.34Å; L113-L148 HydrophobicContact CD2-CD1 3.94Å; F143-L148 HydrophobicContact CD1-CD1 4.13Å; F143-L148 HydrophobicContact CD1-CG 4.17Å; F143-L148 HydrophobicContact CE1-CD1 4.31Å; F143-L148 HydrophobicContact CE1-CD2 4.39Å; F143-L148 HydrophobicContact CE1-CG 4.15Å; L144-L148 HydrophobicContact CD1-CB 3.9Å; L144-L148 HydrophobicContact CD1-CD1 4.3Å; L144-L148 CarbonylContact O-C 3.56Å; L144-L148 PolarHBondContact O-N 3.38Å; L144-L148 VanDerWaalsContact O-N 3.11Å; L148-G150 PolarHBondContact O-N 2.93Å; L148-W151 PolarHBondContact O-N 2.91Å; L148-I152 HydrophobicContact CB-CD1 4.16Å; L148-I152 WeakPolarHBondContact O-CG1 3.33Å; L148-I152 PolarHBondContact O-N 3.42Å |
| 149 | L | 96.4 | Very high | 95.6 | Very high | 23 Ų | 23 | 49 Ų | 49 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.2 | -53.2 | -173.2 | 179.8 | 59.6 | 0 | 0 | 0 | 112.3 | I19 L144 R145 W151 I152 Q153 | I19-L149 HydrophobicContact CB-CD1 3.95Å; I19-L149 HydrophobicContact CD1-CD1 4.22Å; I19-L149 HydrophobicContact CG2-CD1 3.62Å; L144-L149 WeakPolarHBondContact O-CB 3.4Å; L144-L149 PolarHBondContact O-N 2.87Å; R145-L149 HydrophobicContact CG-CD2 4.37Å; R145-L149 VanDerWaalsContact O-CB 3.25Å; R145-L149 WeakPolarHBondContact O-CB 3.28Å; L149-W151 VanDerWaalsContact C-N 3.33Å; L149-W151 PolarHBondContact O-N 3.07Å; L149-I152 PolarHBondContact O-N 3.31Å; L149-Q153 WeakPolarHBondContact O-CG 3.37Å; L149-Q153 PolarHBondContact O-N 3.04Å |
| 150 | G | 95.8 | Very high | 95.4 | Very high | 38 Ų | 38 | 48.3 Ų | 48.3 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L148 I152 Q153 D154 | L148-G150 PolarHBondContact O-N 2.93Å; G150-I152 PolarHBondContact O-N 3.14Å; G150-Q153 WeakPolarHBondContact O-CB 3.4Å; G150-Q153 PolarHBondContact O-N 3.41Å; G150-D154 PolarHBondContact O-N 2.81Å |
| 151 | W | 96.3 | Very high | 95.2 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 16% | 0.163 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 177.5 | 179 | 77.3 | 0 | 0 | 0 | 112.4 | F105 W107 V110 L148 L149 Q153 D154 Q155 | F105-W151 HydrophobicContact CB-CB 4.33Å; F105-W151 HydrophobicContact CB-CD2 3.59Å; F105-W151 HydrophobicContact CB-CE3 4.29Å; F105-W151 HydrophobicContact CB-CG 3.56Å; F105-W151 HydrophobicContact CB-CZ2 4.38Å; F105-W151 HydrophobicContact CG-CB 4.37Å; F105-W151 HydrophobicContact CG-CD2 4.49Å; F105-W151 HydrophobicContact CG-CG 4.1Å; W107-W151 AromaticContact CD1-CH2 3.87Å; W107-W151 AromaticContact CD2-CH2 3.67Å; W107-W151 HydrophobicContact CD2-CH2 3.67Å; W107-W151 AromaticContact CD2-CZ3 3.88Å; W107-W151 HydrophobicContact CD2-CZ3 3.88Å; W107-W151 AromaticContact CE2-CH2 3.67Å; W107-W151 AromaticContact CE2-CZ3 3.92Å; W107-W151 HydrophobicContact CE3-CH2 4.21Å; W107-W151 AromaticContact CE3-CZ3 3.96Å; W107-W151 HydrophobicContact CE3-CZ3 3.96Å; W107-W151 AromaticContact CG-CH2 3.82Å; W107-W151 HydrophobicContact CG-CH2 3.82Å; W107-W151 HydrophobicContact CG-CZ3 4.47Å; W107-W151 HydrophobicContact CH2-CZ3 4.18Å; W107-W151 HydrophobicContact CZ2-CH2 4.24Å; W107-W151 HydrophobicContact CZ2-CZ3 4.1Å; W107-W151 HydrophobicContact CZ3-CZ3 4.11Å; W107-W151 AromaticContact NE1-CH2 3.75Å; V110-W151 HydrophobicContact CG2-CE3 4.43Å; V110-W151 HydrophobicContact CG2-CZ3 3.87Å; L148-W151 PolarHBondContact O-N 2.91Å; L149-W151 VanDerWaalsContact C-N 3.33Å; L149-W151 PolarHBondContact O-N 3.07Å; W151-Q153 VanDerWaalsContact C-N 3.27Å; W151-Q153 PolarHBondContact O-N 3.11Å; W151-D154 WeakPolarHBondContact O-CB 3.49Å; W151-D154 PolarHBondContact O-N 2.87Å; W151-D154 VanDerWaalsContact O-N 3.14Å; W151-Q155 HydrophobicContact CD2-CG 3.95Å; W151-Q155 HydrophobicContact CE3-CG 4.2Å; W151-Q155 HydrophobicContact CH2-CG 3.79Å; W151-Q155 HydrophobicContact CZ2-CG 3.53Å; W151-Q155 HydrophobicContact CZ3-CG 4.12Å; W151-Q155 WeakPolarHBondContact O-CG 3.46Å; W151-Q155 PolarHBondContact O-N 2.9Å |
| 152 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 177.1 | -66.1 | 171.4 | 0 | 0 | 0 | 110.7 | I19 W107 L144 L148 L149 G150 Q155 G156 G157 W158 | I19-I152 HydrophobicContact CD1-CB 4.5Å; I19-I152 HydrophobicContact CD1-CG2 3.91Å; I19-I152 HydrophobicContact CG1-CG2 4.04Å; I19-I152 HydrophobicContact CG2-CB 4.25Å; I19-I152 HydrophobicContact CG2-CD1 4.33Å; I19-I152 HydrophobicContact CG2-CG2 3.77Å; W107-I152 HydrophobicContact CH2-CB 4.48Å; W107-I152 HydrophobicContact CH2-CG1 3.96Å; W107-I152 HydrophobicContact CH2-CG2 4.01Å; W107-I152 HydrophobicContact CZ3-CD1 4.47Å; W107-I152 HydrophobicContact CZ3-CG1 4.25Å; L144-I152 HydrophobicContact CD1-CD1 3.37Å; L148-I152 HydrophobicContact CB-CD1 4.16Å; L148-I152 WeakPolarHBondContact O-CG1 3.33Å; L148-I152 PolarHBondContact O-N 3.42Å; L149-I152 PolarHBondContact O-N 3.31Å; G150-I152 PolarHBondContact O-N 3.14Å; I152-Q155 PolarHBondContact O-N 3.12Å; I152-G156 PolarHBondContact O-N 2.9Å; I152-G157 WeakPolarHBondContact O-CA 3.46Å; I152-G157 PolarHBondContact O-N 3.37Å; I152-W158 HydrophobicContact CD1-CH2 4.06Å; I152-W158 HydrophobicContact CD1-CZ2 3.85Å |
| 153 | Q | 95.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 172.4 | -70.3 | -176.4 | -66.8 | 0 | 0 | 111.4 | T14 S16 I19 L149 G150 W151 Q155 G156 | T14-Q153 WeakPolarHBondContact O-CG 3.33Å; T14-Q153 PolarHBondContact O-NE2 2.99Å; S16-Q153 PolarHBondContact OG-NE2 3.42Å; S16-Q153 VanDerWaalsContact OG-NE2 3.13Å; I19-Q153 HydrophobicContact CD1-CB 4.29Å; I19-Q153 HydrophobicContact CD1-CG 3.28Å; L149-Q153 WeakPolarHBondContact O-CG 3.37Å; L149-Q153 PolarHBondContact O-N 3.04Å; G150-Q153 WeakPolarHBondContact O-CB 3.4Å; G150-Q153 PolarHBondContact O-N 3.41Å; W151-Q153 VanDerWaalsContact C-N 3.27Å; W151-Q153 PolarHBondContact O-N 3.11Å; Q153-Q155 PolarHBondContact O-N 2.85Å; Q153-G156 PolarHBondContact O-N 2.8Å |
| 154 | D | 95.2 | Very high | 94.5 | Very high | 134 Ų | 134 | 54 Ų | 54 | 72% | 0.717 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64 | -28.6 | 176.8 | -64 | -22.3 | 0 | 0 | 0 | 112.6 | G150 W151 G156 | G150-D154 PolarHBondContact O-N 2.81Å; W151-D154 WeakPolarHBondContact O-CB 3.49Å; W151-D154 PolarHBondContact O-N 2.87Å; W151-D154 VanDerWaalsContact O-N 3.14Å; D154-G156 PolarHBondContact O-N 3.37Å |
| 155 | Q | 94.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.7 | 173.3 | -63.2 | -50.1 | -71.4 | 0 | 0 | 114 | W107 W151 I152 Q153 | W107-Q155 HydrophobicContact CZ2-CB 3.9Å; W107-Q155 HydrophobicContact CZ2-CG 4.2Å; W151-Q155 HydrophobicContact CD2-CG 3.95Å; W151-Q155 HydrophobicContact CE3-CG 4.2Å; W151-Q155 HydrophobicContact CH2-CG 3.79Å; W151-Q155 HydrophobicContact CZ2-CG 3.53Å; W151-Q155 HydrophobicContact CZ3-CG 4.12Å; W151-Q155 WeakPolarHBondContact O-CG 3.46Å; W151-Q155 PolarHBondContact O-N 2.9Å; I152-Q155 PolarHBondContact O-N 3.12Å; Q153-Q155 PolarHBondContact O-N 2.85Å |
| 156 | G | 93.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 21.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T14 I152 Q153 D154 | T14-G156 VanDerWaalsContact CG2-C 3.46Å; T14-G156 WeakPolarHBondContact CG2-O 3.42Å; I152-G156 PolarHBondContact O-N 2.9Å; Q153-G156 PolarHBondContact O-N 2.8Å; D154-G156 PolarHBondContact O-N 3.37Å |
| 157 | G | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 95.4 | -164.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W107 I152 D159 | W107-G157 WeakPolarHBondContact CZ2-O 3.21Å; I152-G157 WeakPolarHBondContact O-CA 3.46Å; I152-G157 PolarHBondContact O-N 3.37Å; G157-D159 VanDerWaalsContact C-N 3.3Å; G157-D159 PolarHBondContact O-N 2.96Å |
| 158 | W | 95.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19.7 | -173.6 | -75.3 | 97.7 | 0 | 0 | 0 | 114.5 | I19 T22 L26 L59 W107 V110 F114 L144 I152 G160 L161 | I19-W158 PolarHBondContact O-NE1 3.26Å; T22-W158 VanDerWaalsContact CB-CD1 3.49Å; T22-W158 HydrophobicContact CG2-CB 4.01Å; T22-W158 VanDerWaalsContact CG2-CD1 3.44Å; T22-W158 HydrophobicContact CG2-CD2 4.31Å; T22-W158 HydrophobicContact CG2-CG 3.66Å; L26-W158 HydrophobicContact CD1-CD2 3.84Å; L26-W158 HydrophobicContact CD1-CE3 3.62Å; L26-W158 HydrophobicContact CD1-CG 4.37Å; L26-W158 HydrophobicContact CD1-CH2 4.48Å; L26-W158 HydrophobicContact CD1-CZ3 3.97Å; L59-W158 HydrophobicContact CD1-CB 3.7Å; L59-W158 HydrophobicContact CD2-CB 4.4Å; L59-W158 VanDerWaalsContact CD2-O 3.3Å; L59-W158 WeakPolarHBondContact CD2-O 3.29Å; W107-W158 HydrophobicContact CH2-CD2 4.46Å; W107-W158 HydrophobicContact CH2-CE3 4.04Å; W107-W158 HydrophobicContact CZ3-CD2 4.37Å; W107-W158 AromaticContact CZ3-CE3 3.57Å; W107-W158 HydrophobicContact CZ3-CE3 3.57Å; W107-W158 AromaticContact CZ3-CZ3 3.72Å; W107-W158 HydrophobicContact CZ3-CZ3 3.72Å; V110-W158 HydrophobicContact CG1-CH2 3.99Å; V110-W158 HydrophobicContact CG1-CZ3 3.94Å; F114-W158 HydrophobicContact CE1-CH2 4.16Å; F114-W158 AromaticContact CE2-CH2 3.98Å; F114-W158 HydrophobicContact CE2-CH2 3.98Å; F114-W158 AromaticContact CZ-CH2 3.54Å; F114-W158 HydrophobicContact CZ-CH2 3.54Å; F114-W158 HydrophobicContact CZ-CZ2 4.15Å; F114-W158 HydrophobicContact CZ-CZ3 4.43Å; L144-W158 HydrophobicContact CD1-CH2 4.24Å; L144-W158 HydrophobicContact CD1-CZ2 3.86Å; L144-W158 HydrophobicContact CD2-CZ2 4.03Å; I152-W158 HydrophobicContact CD1-CH2 4.06Å; I152-W158 HydrophobicContact CD1-CZ2 3.85Å; W158-G160 PolarHBondContact O-N 3.16Å; W158-G160 VanDerWaalsContact O-N 3.12Å; W158-L161 HydrophobicContact CE3-CD1 4.28Å; W158-L161 HydrophobicContact CZ3-CD1 4.31Å; W158-L161 WeakPolarHBondContact O-CB 3.23Å; W158-L161 PolarHBondContact O-N 2.83Å |
| 159 | D | 92.4 | Very high | 92 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -24 | -178.8 | -71.3 | -29.9 | 0 | 0 | 0 | 112.7 | G157 L161 L162 S163 | G157-D159 VanDerWaalsContact C-N 3.3Å; G157-D159 PolarHBondContact O-N 2.96Å; D159-L161 PolarHBondContact O-N 2.99Å; D159-L161 VanDerWaalsContact O-N 3.17Å; D159-L162 WeakPolarHBondContact O-CB 3.48Å; D159-L162 PolarHBondContact O-N 3.06Å; D159-S163 PolarHBondContact O-N 3.27Å |
| 160 | G | 92.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.5 | -27.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W107 W158 S163 Y164 | W107-G160 PolarHBondContact NE1-O 2.9Å; W158-G160 PolarHBondContact O-N 3.16Å; W158-G160 VanDerWaalsContact O-N 3.12Å; G160-S163 PolarHBondContact O-N 3.02Å; G160-Y164 WeakPolarHBondContact O-CB 3.45Å; G160-Y164 PolarHBondContact O-N 3.39Å |
| 161 | L | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.4 | -172.6 | 151.4 | 0 | 0 | 0 | 111.2 | L59 C62 L63 W107 V111 W158 D159 S163 Y164 F165 | L59-L161 HydrophobicContact CD2-CB 3.92Å; L59-L161 HydrophobicContact CD2-CD2 3.99Å; L59-L161 HydrophobicContact CD2-CG 4.43Å; C62-L161 HydrophobicContact CB-CD2 4.18Å; L63-L161 HydrophobicContact CD2-CD1 4.21Å; W107-L161 HydrophobicContact CD2-CB 3.89Å; W107-L161 HydrophobicContact CD2-CG 4.5Å; W107-L161 HydrophobicContact CE3-CB 3.8Å; W107-L161 HydrophobicContact CE3-CD1 3.94Å; W107-L161 HydrophobicContact CE3-CG 4.21Å; W107-L161 HydrophobicContact CG-CB 4.38Å; W107-L161 HydrophobicContact CZ3-CB 4.14Å; W107-L161 HydrophobicContact CZ3-CD1 4.32Å; V111-L161 HydrophobicContact CG2-CD1 3.85Å; V111-L161 HydrophobicContact CG2-CG 4.48Å; W158-L161 HydrophobicContact CE3-CD1 4.28Å; W158-L161 HydrophobicContact CZ3-CD1 4.31Å; W158-L161 WeakPolarHBondContact O-CB 3.23Å; W158-L161 PolarHBondContact O-N 2.83Å; D159-L161 PolarHBondContact O-N 2.99Å; D159-L161 VanDerWaalsContact O-N 3.17Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.35Å; L161-Y164 PolarHBondContact O-N 3.01Å; L161-F165 HydrophobicContact CD2-CD2 4.13Å; L161-F165 HydrophobicContact CG-CD2 4.13Å; L161-F165 HydrophobicContact CG-CE2 4.4Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 PolarHBondContact O-N 3.5Å |
| 162 | L | 92.2 | Very high | 90.5 | Very high | 48 Ų | 48 | 58 Ų | 58 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 177.7 | -64.3 | 179.1 | 0 | 0 | 0 | 111.2 | K58 L59 C62 D159 Y164 G166 | K58-L162 HydrophobicContact CB-CD1 4.02Å; K58-L162 HydrophobicContact CB-CD2 4.36Å; L59-L162 HydrophobicContact CD2-CD1 4.24Å; L59-L162 HydrophobicContact CD2-CD2 3.91Å; L59-L162 HydrophobicContact CD2-CG 3.61Å; L59-L162 HydrophobicContact CG-CD1 4.22Å; L59-L162 HydrophobicContact CG-CD2 4.27Å; L59-L162 HydrophobicContact CG-CG 4.09Å; C62-L162 HydrophobicContact CB-CD2 3.81Å; D159-L162 WeakPolarHBondContact O-CB 3.48Å; D159-L162 PolarHBondContact O-N 3.06Å; L162-Y164 VanDerWaalsContact C-N 3.32Å; L162-Y164 PolarHBondContact O-N 3.17Å; L162-G166 WeakPolarHBondContact O-CA 3.3Å; L162-G166 PolarHBondContact O-N 2.95Å |
| 163 | S | 90.9 | Very high | 90.1 | Very high | 92 Ų | 92 | 59 Ų | 59 | 64% | 0.643 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | D159 G160 L161 | D159-S163 PolarHBondContact O-N 3.27Å; G160-S163 PolarHBondContact O-N 3.02Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.35Å |
| 164 | Y | 89.7 | Confident | 89.7 | Confident | 81 Ų | 81 | 56 Ų | 56 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | -178.5 | -169.3 | -103.5 | 0 | 0 | 0 | 113 | W107 G160 L161 L162 V173 | W107-Y164 HydrophobicContact CB-CD1 3.61Å; W107-Y164 HydrophobicContact CB-CE1 4.12Å; W107-Y164 HydrophobicContact CB-CG 3.84Å; W107-Y164 HydrophobicContact CG-CG 4.32Å; G160-Y164 WeakPolarHBondContact O-CB 3.45Å; G160-Y164 PolarHBondContact O-N 3.39Å; L161-Y164 PolarHBondContact O-N 3.01Å; L162-Y164 VanDerWaalsContact C-N 3.32Å; L162-Y164 PolarHBondContact O-N 3.17Å; Y164-V173 HydrophobicContact CD1-CG1 4.03Å; Y164-V173 HydrophobicContact CE1-CG1 3.3Å; Y164-V173 HydrophobicContact CE1-CG2 4.45Å |
| 165 | F | 89.8 | Confident | 89.5 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -97.6 | -2.1 | -179.1 | -72.6 | -81.2 | 0 | 0 | 0 | 114.5 | I66 W107 V111 L161 T167 W170 V173 V177 | I66-F165 HydrophobicContact CD1-CB 4.16Å; I66-F165 HydrophobicContact CD1-CD1 3.46Å; I66-F165 VanDerWaalsContact CD1-CD1 3.46Å; I66-F165 HydrophobicContact CD1-CD2 3.61Å; I66-F165 HydrophobicContact CD1-CE1 3.56Å; I66-F165 HydrophobicContact CD1-CE2 3.73Å; I66-F165 HydrophobicContact CD1-CG 3.47Å; I66-F165 VanDerWaalsContact CD1-CG 3.47Å; I66-F165 HydrophobicContact CD1-CZ 3.71Å; I66-F165 HydrophobicContact CG1-CD1 3.81Å; I66-F165 HydrophobicContact CG1-CE1 3.92Å; I66-F165 HydrophobicContact CG1-CG 4.25Å; I66-F165 HydrophobicContact CG1-CZ 4.48Å; W107-F165 HydrophobicContact CB-CE2 4.2Å; V111-F165 HydrophobicContact CB-CE2 4.48Å; V111-F165 HydrophobicContact CB-CZ 4.34Å; V111-F165 HydrophobicContact CG2-CE2 3.66Å; V111-F165 HydrophobicContact CG2-CZ 3.99Å; L161-F165 HydrophobicContact CD2-CD2 4.13Å; L161-F165 HydrophobicContact CG-CD2 4.13Å; L161-F165 HydrophobicContact CG-CE2 4.4Å; L161-F165 WeakPolarHBondContact O-CD2 3.43Å; L161-F165 PolarHBondContact O-N 3.5Å; F165-T167 VanDerWaalsContact C-N 3.26Å; F165-T167 PolarHBondContact O-N 3.28Å; F165-W170 WeakPolarHBondContact O-CB 3.22Å; F165-V173 HydrophobicContact CD1-CB 4.35Å; F165-V173 HydrophobicContact CD1-CG1 3.99Å; F165-V173 HydrophobicContact CE1-CB 3.99Å; F165-V173 HydrophobicContact CE1-CG1 3.3Å; F165-V173 HydrophobicContact CZ-CG1 3.74Å; F165-V177 HydrophobicContact CZ-CG2 4.32Å |
| 166 | G | 84.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -76.7 | -8.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L162 | L162-G166 WeakPolarHBondContact O-CA 3.3Å; L162-G166 PolarHBondContact O-N 2.95Å |
| 167 | T | 84.7 | Confident | 89.2 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -78.6 | 154 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | F165 T169 W170 | F165-T167 VanDerWaalsContact C-N 3.26Å; F165-T167 PolarHBondContact O-N 3.28Å; T167-T169 PolarHBondContact O-N 2.91Å; T167-T169 VanDerWaalsContact O-N 3.08Å; T167-T169 PolarHBondContact OG1-OG1 3.43Å; T167-T169 VanDerWaalsContact OG1-OG1 3.11Å; T167-W170 WeakPolarHBondContact O-CB 3.44Å; T167-W170 PolarHBondContact O-N 3.34Å; T167-W170 VanDerWaalsContact O-N 3.09Å |
| 168 | P | 83 | Confident | 89.1 | Confident | 129 Ų | 129 | 54 Ų | 54 | 84% | 0.838 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26 | 175 | -25.6 | 34.6 | 0 | 0 | 0 | 114.2 | W170 | P168-W170 VanDerWaalsContact C-N 3.25Å; P168-W170 PolarHBondContact O-N 3.47Å |
| 169 | T | 85.5 | Confident | 89 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 11.3 | -179.7 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | T167 Q171 T172 V173 | T167-T169 PolarHBondContact O-N 2.91Å; T167-T169 VanDerWaalsContact O-N 3.08Å; T167-T169 PolarHBondContact OG1-OG1 3.43Å; T167-T169 VanDerWaalsContact OG1-OG1 3.11Å; T169-Q171 PolarHBondContact O-N 3.35Å; T169-Q171 VanDerWaalsContact O-N 3.09Å; T169-T172 WeakPolarHBondContact O-CA 3.43Å; T169-T172 VanDerWaalsContact O-CB 3.3Å; T169-T172 WeakPolarHBondContact O-CB 3.41Å; T169-T172 PolarHBondContact O-N 2.73Å; T169-V173 PolarHBondContact O-N 3.14Å; T169-V173 VanDerWaalsContact O-N 3.15Å |
| 170 | W | 85.6 | Confident | 89 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.9 | -30.6 | -177.5 | 75.3 | -86.7 | 0 | 0 | 0 | 113.3 | R65 E69 F165 T167 P168 T172 V173 T174 | R65-W170 HydrophobicContact CG-CH2 4.06Å; R65-W170 HydrophobicContact CG-CZ3 4.33Å; R65-W170 VanDerWaalsContact CZ-CE2 3.41Å; R65-W170 VanDerWaalsContact NH2-CD1 3.26Å; E69-W170 HydrophobicContact CB-CZ3 4.21Å; E69-W170 HydrophobicContact CG-CZ3 4.3Å; F165-W170 WeakPolarHBondContact O-CB 3.22Å; T167-W170 WeakPolarHBondContact O-CB 3.44Å; T167-W170 PolarHBondContact O-N 3.34Å; T167-W170 VanDerWaalsContact O-N 3.09Å; P168-W170 VanDerWaalsContact C-N 3.25Å; P168-W170 PolarHBondContact O-N 3.47Å; W170-T172 VanDerWaalsContact C-N 3.35Å; W170-V173 WeakPolarHBondContact O-CB 3.43Å; W170-V173 PolarHBondContact O-N 3.29Å; W170-T174 PolarHBondContact O-N 3.38Å; W170-T174 PolarHBondContact O-OG1 2.99Å |
| 171 | Q | 84.1 | Confident | 89.1 | Confident | 108 Ų | 108 | 52 Ų | 52 | 51% | 0.505 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 174.5 | -70.7 | -178.6 | -41.2 | 0 | 0 | 112.3 | T169 V173 T174 I175 | T169-Q171 PolarHBondContact O-N 3.35Å; T169-Q171 VanDerWaalsContact O-N 3.09Å; Q171-V173 VanDerWaalsContact C-N 3.28Å; Q171-V173 PolarHBondContact O-N 3.42Å; Q171-T174 VanDerWaalsContact CA-OG1 3.22Å; Q171-T174 WeakPolarHBondContact CA-OG1 3.43Å; Q171-T174 PolarHBondContact O-N 2.99Å; Q171-T174 PolarHBondContact O-OG1 2.93Å; Q171-I175 WeakPolarHBondContact O-CG1 3.24Å; Q171-I175 PolarHBondContact O-N 3.06Å |
| 172 | T | 87.3 | Confident | 89.1 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 57% | 0.571 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | 173.6 | -46.3 | 0 | 0 | 0 | 0 | 110.8 | T169 W170 I175 F176 | T169-T172 WeakPolarHBondContact O-CA 3.43Å; T169-T172 VanDerWaalsContact O-CB 3.3Å; T169-T172 WeakPolarHBondContact O-CB 3.41Å; T169-T172 PolarHBondContact O-N 2.73Å; W170-T172 VanDerWaalsContact C-N 3.35Å; T172-I175 WeakPolarHBondContact O-CB 3.42Å; T172-I175 PolarHBondContact O-N 3.04Å; T172-F176 PolarHBondContact O-N 3.24Å; T172-F176 VanDerWaalsContact O-N 3.07Å |
| 173 | V | 86.8 | Confident | 89.1 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | Y164 F165 T169 W170 Q171 I175 F176 V177 | Y164-V173 HydrophobicContact CD1-CG1 4.03Å; Y164-V173 HydrophobicContact CE1-CG1 3.3Å; Y164-V173 HydrophobicContact CE1-CG2 4.45Å; F165-V173 HydrophobicContact CD1-CB 4.35Å; F165-V173 HydrophobicContact CD1-CG1 3.99Å; F165-V173 HydrophobicContact CE1-CB 3.99Å; F165-V173 HydrophobicContact CE1-CG1 3.3Å; F165-V173 HydrophobicContact CZ-CG1 3.74Å; T169-V173 PolarHBondContact O-N 3.14Å; T169-V173 VanDerWaalsContact O-N 3.15Å; W170-V173 WeakPolarHBondContact O-CB 3.43Å; W170-V173 PolarHBondContact O-N 3.29Å; Q171-V173 VanDerWaalsContact C-N 3.28Å; Q171-V173 PolarHBondContact O-N 3.42Å; V173-I175 VanDerWaalsContact C-N 3.32Å; V173-I175 PolarHBondContact O-N 3.49Å; V173-F176 WeakPolarHBondContact O-CA 3.17Å; V173-F176 WeakPolarHBondContact O-CB 3.31Å; V173-F176 PolarHBondContact O-N 3.43Å; V173-F176 VanDerWaalsContact O-N 3.08Å; V173-V177 HydrophobicContact CG1-CG2 4.39Å; V173-V177 VanDerWaalsContact O-CG2 3.28Å; V173-V177 WeakPolarHBondContact O-CG2 3.46Å; V173-V177 PolarHBondContact O-N 3.26Å |
| 174 | T | 88.6 | Confident | 89.1 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 175.9 | 13.3 | 0 | 0 | 0 | 0 | 113.4 | I66 E69 L70 W170 Q171 F176 V177 A178 | I66-T174 HydrophobicContact CB-CG2 4.26Å; I66-T174 HydrophobicContact CG2-CG2 3.54Å; E69-T174 HydrophobicContact CB-CG2 3.9Å; E69-T174 HydrophobicContact CG-CG2 3.98Å; L70-T174 HydrophobicContact CD2-CG2 4.35Å; L70-T174 HydrophobicContact CG-CG2 4.38Å; W170-T174 PolarHBondContact O-N 3.38Å; W170-T174 PolarHBondContact O-OG1 2.99Å; Q171-T174 VanDerWaalsContact CA-OG1 3.22Å; Q171-T174 WeakPolarHBondContact CA-OG1 3.43Å; Q171-T174 PolarHBondContact O-N 2.99Å; Q171-T174 PolarHBondContact O-OG1 2.93Å; T174-F176 VanDerWaalsContact C-N 3.32Å; T174-F176 PolarHBondContact O-N 3.25Å; T174-V177 PolarHBondContact O-N 3.3Å; T174-A178 WeakPolarHBondContact O-CB 3.45Å; T174-A178 PolarHBondContact O-N 3.11Å |
| 175 | I | 90 | Very high | 89.2 | Confident | 124 Ų | 124 | 44.4 Ų | 44.4 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.2 | -44.6 | 170.8 | -66.3 | 168 | 0 | 0 | 0 | 110.3 | Q171 T172 V173 A178 G179 | Q171-I175 WeakPolarHBondContact O-CG1 3.24Å; Q171-I175 PolarHBondContact O-N 3.06Å; T172-I175 WeakPolarHBondContact O-CB 3.42Å; T172-I175 PolarHBondContact O-N 3.04Å; V173-I175 VanDerWaalsContact C-N 3.32Å; V173-I175 PolarHBondContact O-N 3.49Å; I175-A178 PolarHBondContact O-N 3.09Å; I175-G179 PolarHBondContact O-N 2.94Å |
| 176 | F | 89.8 | Confident | 89.2 | Confident | 90 Ų | 90 | 46.6 Ų | 46.6 | 40% | 0.395 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 175 | 172.4 | -97.2 | 0 | 0 | 0 | 112.1 | T172 V173 T174 A178 G179 V180 | T172-F176 PolarHBondContact O-N 3.24Å; T172-F176 VanDerWaalsContact O-N 3.07Å; V173-F176 WeakPolarHBondContact O-CA 3.17Å; V173-F176 WeakPolarHBondContact O-CB 3.31Å; V173-F176 PolarHBondContact O-N 3.43Å; V173-F176 VanDerWaalsContact O-N 3.08Å; T174-F176 VanDerWaalsContact C-N 3.32Å; T174-F176 PolarHBondContact O-N 3.25Å; F176-A178 PolarHBondContact O-N 3.07Å; F176-G179 PolarHBondContact O-N 2.83Å; F176-V180 HydrophobicContact CD1-CG2 4.3Å; F176-V180 HydrophobicContact CD2-CG2 4.16Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; F176-V180 HydrophobicContact CE2-CG2 3.69Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.51Å; F176-V180 WeakPolarHBondContact O-CG2 3.42Å; F176-V180 PolarHBondContact O-N 3.23Å |
| 177 | V | 92.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L70 G108 A112 F165 V173 T174 G179 V180 L181 | L70-V177 HydrophobicContact CD1-CG1 3.83Å; L70-V177 HydrophobicContact CD2-CB 4.17Å; L70-V177 HydrophobicContact CD2-CG1 3.85Å; L70-V177 HydrophobicContact CG-CG1 4.45Å; G108-V177 WeakPolarHBondContact O-CG2 3.49Å; A112-V177 HydrophobicContact CB-CG1 3.74Å; F165-V177 HydrophobicContact CZ-CG2 4.32Å; V173-V177 HydrophobicContact CG1-CG2 4.39Å; V173-V177 VanDerWaalsContact O-CG2 3.28Å; V173-V177 WeakPolarHBondContact O-CG2 3.46Å; V173-V177 PolarHBondContact O-N 3.26Å; T174-V177 PolarHBondContact O-N 3.3Å; V177-G179 PolarHBondContact O-N 2.98Å; V177-V180 PolarHBondContact O-N 2.9Å; V177-L181 PolarHBondContact O-N 3.14Å; V177-L181 VanDerWaalsContact O-N 3.1Å |
| 178 | A | 93.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L70 N73 L76 T174 I175 F176 V180 L181 T182 | L70-A178 HydrophobicContact CD2-CB 3.85Å; N73-A178 WeakPolarHBondContact ND2-CB 3.41Å; L76-A178 HydrophobicContact CD2-CB 4.22Å; T174-A178 WeakPolarHBondContact O-CB 3.45Å; T174-A178 PolarHBondContact O-N 3.11Å; I175-A178 PolarHBondContact O-N 3.09Å; F176-A178 PolarHBondContact O-N 3.07Å; A178-V180 PolarHBondContact O-N 3.09Å; A178-L181 PolarHBondContact O-N 2.92Å; A178-T182 VanDerWaalsContact O-CB 3.27Å; A178-T182 WeakPolarHBondContact O-CB 3.31Å; A178-T182 PolarHBondContact O-N 2.92Å; A178-T182 PolarHBondContact O-OG1 3.35Å |
| 179 | G | 93.2 | Very high | 89.4 | Confident | 39 Ų | 39 | 45 Ų | 45 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | I175 F176 V177 T182 A183 | I175-G179 PolarHBondContact O-N 2.94Å; F176-G179 PolarHBondContact O-N 2.83Å; V177-G179 PolarHBondContact O-N 2.98Å; G179-T182 PolarHBondContact O-N 2.87Å; G179-A183 VanDerWaalsContact O-CB 3.29Å; G179-A183 WeakPolarHBondContact O-CB 3.3Å; G179-A183 PolarHBondContact O-N 2.66Å |
| 180 | V | 92.8 | Very high | 89.2 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | M99 R109 F176 V177 A178 A183 S184 | M99-V180 HydrophobicContact CG-CG1 3.77Å; R109-V180 HydrophobicContact CG-CG1 4.17Å; F176-V180 HydrophobicContact CD1-CG2 4.3Å; F176-V180 HydrophobicContact CD2-CG2 4.16Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; F176-V180 HydrophobicContact CE2-CG2 3.69Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.51Å; F176-V180 WeakPolarHBondContact O-CG2 3.42Å; F176-V180 PolarHBondContact O-N 3.23Å; V177-V180 PolarHBondContact O-N 2.9Å; A178-V180 PolarHBondContact O-N 3.09Å; V180-A183 PolarHBondContact O-N 2.66Å; V180-S184 WeakPolarHBondContact O-CB 3.44Å; V180-S184 PolarHBondContact O-N 3.41Å; V180-S184 PolarHBondContact O-OG 3.05Å |
| 181 | L | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | -180 | -178.5 | 54.6 | 0 | 0 | 0 | 111.6 | L76 V95 M99 A112 Y115 F116 V177 A178 A183 S184 L185 | L76-L181 HydrophobicContact CD1-CB 4.14Å; L76-L181 HydrophobicContact CD1-CD2 3.66Å; L76-L181 HydrophobicContact CD1-CG 3.68Å; L76-L181 HydrophobicContact CD2-CD2 4.32Å; V95-L181 HydrophobicContact CG1-CD1 3.96Å; M99-L181 HydrophobicContact CE-CD1 3.7Å; A112-L181 HydrophobicContact CB-CB 4.21Å; Y115-L181 HydrophobicContact CD1-CD2 3.69Å; Y115-L181 HydrophobicContact CE1-CD2 4.24Å; F116-L181 HydrophobicContact CB-CD1 3.88Å; F116-L181 HydrophobicContact CB-CD2 4.17Å; F116-L181 HydrophobicContact CD2-CD1 4.13Å; F116-L181 HydrophobicContact CG-CD1 4.01Å; V177-L181 PolarHBondContact O-N 3.14Å; V177-L181 VanDerWaalsContact O-N 3.1Å; A178-L181 PolarHBondContact O-N 2.92Å; L181-A183 PolarHBondContact O-N 2.92Å; L181-S184 PolarHBondContact O-N 2.77Å; L181-L185 HydrophobicContact CD1-CD1 4.19Å; L181-L185 HydrophobicContact CD1-CG 4.27Å; L181-L185 HydrophobicContact CG-CD1 4.08Å; L181-L185 WeakPolarHBondContact O-CB 3.37Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 3.31Å |
| 182 | T | 93.2 | Very high | 87.7 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.3 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | E75 M79 A178 G179 L185 T186 | E75-T182 HydrophobicContact CG-CG2 4.12Å; M79-T182 HydrophobicContact CG-CG2 4.31Å; A178-T182 VanDerWaalsContact O-CB 3.27Å; A178-T182 WeakPolarHBondContact O-CB 3.31Å; A178-T182 PolarHBondContact O-N 2.92Å; A178-T182 PolarHBondContact O-OG1 3.35Å; G179-T182 PolarHBondContact O-N 2.87Å; T182-L185 PolarHBondContact O-N 3.37Å; T182-T186 WeakPolarHBondContact O-CB 3.22Å; T182-T186 PolarHBondContact O-N 2.94Å; T182-T186 PolarHBondContact O-OG1 2.93Å |
| 183 | A | 92.3 | Very high | 87.7 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G179 V180 L181 L185 T186 I187 | G179-A183 VanDerWaalsContact O-CB 3.29Å; G179-A183 WeakPolarHBondContact O-CB 3.3Å; G179-A183 PolarHBondContact O-N 2.66Å; V180-A183 PolarHBondContact O-N 2.66Å; L181-A183 PolarHBondContact O-N 2.92Å; A183-L185 VanDerWaalsContact C-N 3.35Å; A183-L185 PolarHBondContact O-N 2.95Å; A183-T186 WeakPolarHBondContact O-CB 3.13Å; A183-T186 PolarHBondContact O-N 3.41Å; A183-T186 VanDerWaalsContact O-N 3.13Å; A183-I187 WeakPolarHBondContact O-CG1 3.42Å; A183-I187 PolarHBondContact O-N 3.13Å |
| 184 | S | 92.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | V180 L181 T186 I187 W188 | V180-S184 WeakPolarHBondContact O-CB 3.44Å; V180-S184 PolarHBondContact O-N 3.41Å; V180-S184 PolarHBondContact O-OG 3.05Å; L181-S184 PolarHBondContact O-N 2.77Å; S184-T186 VanDerWaalsContact C-N 3.35Å; S184-I187 PolarHBondContact O-N 3.32Å; S184-W188 WeakPolarHBondContact O-CB 3.35Å; S184-W188 PolarHBondContact O-N 2.91Å |
| 185 | L | 90.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 175.7 | -72.3 | 168.2 | 0 | 0 | 0 | 112.5 | L76 M79 I80 V83 V95 F116 L181 T182 A183 K189 | L76-L185 HydrophobicContact CD1-CD1 4.15Å; M79-L185 HydrophobicContact CB-CB 4.27Å; M79-L185 HydrophobicContact CB-CD1 3.9Å; M79-L185 HydrophobicContact CE-CB 3.89Å; I80-L185 HydrophobicContact CG1-CD1 3.87Å; V83-L185 HydrophobicContact CG2-CD2 3.68Å; V95-L185 HydrophobicContact CG1-CD2 4.37Å; V95-L185 HydrophobicContact CG2-CD2 3.84Å; F116-L185 HydrophobicContact CD2-CD2 4.45Å; F116-L185 HydrophobicContact CE2-CD2 3.74Å; F116-L185 HydrophobicContact CZ-CD2 4.06Å; L181-L185 HydrophobicContact CD1-CD1 4.19Å; L181-L185 HydrophobicContact CD1-CG 4.27Å; L181-L185 HydrophobicContact CG-CD1 4.08Å; L181-L185 WeakPolarHBondContact O-CB 3.37Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 3.31Å; T182-L185 PolarHBondContact O-N 3.37Å; A183-L185 VanDerWaalsContact C-N 3.35Å; A183-L185 PolarHBondContact O-N 2.95Å; L185-K189 WeakPolarHBondContact O-CB 3.35Å; L185-K189 PolarHBondContact O-N 3.32Å |
| 186 | T | 89.5 | Confident | 87.6 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | M79 T182 A183 S184 K189 K190 | M79-T186 WeakPolarHBondContact CE-OG1 3.42Å; T182-T186 WeakPolarHBondContact O-CB 3.22Å; T182-T186 PolarHBondContact O-N 2.94Å; T182-T186 PolarHBondContact O-OG1 2.93Å; A183-T186 WeakPolarHBondContact O-CB 3.13Å; A183-T186 PolarHBondContact O-N 3.41Å; A183-T186 VanDerWaalsContact O-N 3.13Å; S184-T186 VanDerWaalsContact C-N 3.35Å; T186-K189 PolarHBondContact O-N 3.46Å; T186-K190 WeakPolarHBondContact O-CG 3.44Å; T186-K190 PolarHBondContact O-N 2.94Å; T186-K190 VanDerWaalsContact O-N 3.13Å |
| 187 | I | 88 | Confident | 87.5 | Confident | 64 Ų | 64 | 48.7 Ų | 48.7 | 33% | 0.328 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 177.3 | -67.5 | 167.1 | 0 | 0 | 0 | 109.8 | E98 A183 S184 K189 K190 M191 | E98-I187 HydrophobicContact CG-CB 4.19Å; E98-I187 HydrophobicContact CG-CD1 4.02Å; E98-I187 HydrophobicContact CG-CG2 4.13Å; E98-I187 VanDerWaalsContact OE1-CD1 3.31Å; E98-I187 WeakPolarHBondContact OE1-CD1 3.5Å; A183-I187 WeakPolarHBondContact O-CG1 3.42Å; A183-I187 PolarHBondContact O-N 3.13Å; S184-I187 PolarHBondContact O-N 3.32Å; I187-K189 VanDerWaalsContact C-N 3.32Å; I187-K189 PolarHBondContact O-N 3.28Å; I187-K190 PolarHBondContact O-N 3.38Å; I187-K190 VanDerWaalsContact O-N 3.09Å; I187-M191 HydrophobicContact CG2-CE 3.74Å; I187-M191 HydrophobicContact CG2-SD 4.24Å; I187-M191 WeakPolarHBondContact O-CG 3.44Å; I187-M191 PolarHBondContact O-N 3.45Å |
| 188 | W | 85.1 | Confident | 87.1 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 15% | 0.148 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.7 | -49.9 | 173.8 | 166.7 | 73.1 | 0 | 0 | 0 | 112 | V83 V91 V95 S184 K190 M191 G192 | V83-W188 HydrophobicContact CB-CH2 4.45Å; V83-W188 HydrophobicContact CB-CZ3 4.38Å; V83-W188 HydrophobicContact CG1-CH2 4.36Å; V83-W188 HydrophobicContact CG2-CE3 4.45Å; V83-W188 HydrophobicContact CG2-CH2 4.38Å; V83-W188 HydrophobicContact CG2-CZ3 3.86Å; V91-W188 HydrophobicContact CB-CZ2 4.18Å; V91-W188 HydrophobicContact CG1-CD2 3.96Å; V91-W188 HydrophobicContact CG1-CE3 4.35Å; V91-W188 HydrophobicContact CG1-CG 4.49Å; V91-W188 HydrophobicContact CG1-CH2 4.28Å; V91-W188 HydrophobicContact CG1-CZ2 3.89Å; V91-W188 HydrophobicContact CG1-CZ3 4.49Å; V91-W188 HydrophobicContact CG2-CH2 4.09Å; V91-W188 HydrophobicContact CG2-CZ2 3.29Å; V95-W188 HydrophobicContact CG2-CB 4.08Å; V95-W188 HydrophobicContact CG2-CG 4.18Å; S184-W188 WeakPolarHBondContact O-CB 3.35Å; S184-W188 PolarHBondContact O-N 2.91Å; W188-K190 PolarHBondContact O-N 2.84Å; W188-M191 PolarHBondContact O-N 3.08Å; W188-G192 PolarHBondContact O-N 2.82Å |
| 189 | K | 82.8 | Confident | 86.7 | Confident | 109 Ų | 109 | 55.4 Ų | 55.4 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -27.2 | -179.4 | -176.7 | 171.6 | 179.5 | 170.8 | 0 | 113.6 | L185 T186 I187 M191 | L185-K189 WeakPolarHBondContact O-CB 3.35Å; L185-K189 PolarHBondContact O-N 3.32Å; T186-K189 PolarHBondContact O-N 3.46Å; I187-K189 VanDerWaalsContact C-N 3.32Å; I187-K189 PolarHBondContact O-N 3.28Å; K189-M191 VanDerWaalsContact C-N 3.34Å |
| 190 | K | 82.2 | Confident | 86.2 | Confident | 172 Ų | 172 | 56.7 Ų | 56.7 | 75% | 0.748 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -79.6 | -16.5 | 176 | -74.7 | -178.7 | -179.5 | -178.3 | 0 | 113.3 | T186 I187 W188 | T186-K190 WeakPolarHBondContact O-CG 3.44Å; T186-K190 PolarHBondContact O-N 2.94Å; T186-K190 VanDerWaalsContact O-N 3.13Å; I187-K190 PolarHBondContact O-N 3.38Å; I187-K190 VanDerWaalsContact O-N 3.09Å; W188-K190 PolarHBondContact O-N 2.84Å |
| 191 | M | 73.1 | Confident | 85.7 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 50% | 0.498 | 35% | 0.35 | S | S | . | . | trans | -98.4 | -2.2 | -178.1 | -67.1 | -173.5 | -62.3 | 0 | 0 | 113.8 | I187 W188 K189 | I187-M191 HydrophobicContact CG2-CE 3.74Å; I187-M191 HydrophobicContact CG2-SD 4.24Å; I187-M191 WeakPolarHBondContact O-CG 3.44Å; I187-M191 PolarHBondContact O-N 3.45Å; W188-M191 PolarHBondContact O-N 3.08Å; K189-M191 VanDerWaalsContact C-N 3.34Å | ||
| 192 | G | 65.3 | Low | 85 | Confident | 119 Ų | 119 | 65 Ų | 65 | 100% | 1.227 | 38% | 0.382 | S | S | * | . | trans | -110.2 | 0 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | W188 | W188-G192 PolarHBondContact O-N 2.82Š|
Retrieved 192 of 192 residues in 44.4 ms
(Link to these results)