| 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 | 44.2 | Very low | 44.1 | Very low | 217 Ų | 217 | 142.2 Ų | 142.2 | 100% | 1.069 | 72% | 0.72 | S | S | * | * | 0 | -4.3 | 0 | -96.6 | 179.2 | -179.5 | 0 | 0 | 115.6 | |||||
| 2 | R | 37.6 | Very low | 46.1 | Very low | 219 Ų | 219 | 142.8 Ų | 142.8 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -83.9 | -14.3 | 177.8 | -99.2 | -178 | 174.1 | 175.9 | -2.2 | 116 | S4 | R2-S4 PolarHBondContact O-N 3.02Š| ||
| 3 | V | 42.9 | Very low | 48.6 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -83.8 | -8.8 | -171.9 | -179.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 4 | S | 52.3 | Low | 50.8 | Low | 85 Ų | 85 | 129.9 Ų | 129.9 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -89.1 | 2.1 | 180 | 56 | 0 | 0 | 0 | 0 | 115.2 | R2 | R2-S4 PolarHBondContact O-N 3.02Š|
| 5 | R | 42.2 | Very low | 53.3 | Low | 226 Ų | 226 | 123 Ų | 123 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -97.5 | -5.7 | -179.1 | -75.1 | -171.6 | 165.1 | 175.4 | -5 | 115.3 | ||
| 6 | S | 39.5 | Very low | 55.5 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 69% | 0.685 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -95.5 | 11.7 | 177.6 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 7 | V | 41.3 | Very low | 57.6 | Low | 86 Ų | 86 | 108.7 Ų | 108.7 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | trans | -106.3 | 85.9 | 169.5 | -174.9 | 0 | 0 | 0 | 0 | 107.4 | N9 S10 | V7-N9 PolarHBondContact O-N 2.87Å; V7-S10 WeakPolarHBondContact O-CB 3.05Å; V7-S10 PolarHBondContact O-N 3.04Å; V7-S10 PolarHBondContact O-OG 3.17Å | ||
| 8 | Q | 42.8 | Very low | 59.6 | Low | 188 Ų | 188 | 102.7 Ų | 102.7 | 88% | 0.879 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 10.7 | -170.9 | -140.8 | 158.6 | -22.9 | 0 | 0 | 114.6 | ||
| 9 | N | 42.6 | Very low | 61.3 | Low | 162 Ų | 162 | 97.3 Ų | 97.3 | 87% | 0.866 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.9 | 24.5 | 173.8 | -82.8 | -31 | 0 | 0 | 0 | 111.1 | V7 E11 | V7-N9 PolarHBondContact O-N 2.87Å; N9-E11 PolarHBondContact O-N 3.1Å; N9-E11 VanDerWaalsContact O-N 3.09Å |
| 10 | S | 47.3 | Very low | 63 | Low | 54 Ų | 54 | 92.8 Ų | 92.8 | 38% | 0.378 | 47% | 0.473 | S | S | . | . | trans | -62 | 115.4 | -171.4 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | V7 L12 | V7-S10 WeakPolarHBondContact O-CB 3.05Å; V7-S10 PolarHBondContact O-N 3.04Å; V7-S10 PolarHBondContact O-OG 3.17Å; S10-L12 PolarHBondContact O-N 3.34Å | ||
| 11 | E | 52 | Low | 64.5 | Low | 102 Ų | 102 | 89 Ų | 89 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | trans | -34.7 | 99.4 | 166.7 | -54.6 | -179.2 | 159.8 | 0 | 0 | 110.6 | N9 Y13 Y212 G213 | N9-E11 PolarHBondContact O-N 3.1Å; N9-E11 VanDerWaalsContact O-N 3.09Å; E11-Y13 PolarHBondContact O-N 3.02Å; E11-Y212 HydrophobicContact CB-CE1 3.96Å; E11-Y212 HydrophobicContact CG-CE1 4.29Å; E11-G213 VanDerWaalsContact CB-CA 3.49Å; E11-G213 WeakPolarHBondContact OE2-CA 3.17Å | ||
| 12 | L | 67.9 | Low | 66.9 | Low | 149 Ų | 149 | 78.7 Ų | 78.7 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | trans | -72.1 | 98.6 | -179.7 | -68.4 | 169 | 0 | 0 | 0 | 107 | S10 | S10-L12 PolarHBondContact O-N 3.34Š| ||
| 13 | Y | 78.4 | Confident | 69.6 | Low | 88 Ų | 88 | 68.8 Ų | 68.8 | 35% | 0.345 | 37% | 0.367 | S | S | . | . | trans | -53.2 | 148.2 | 170.5 | 66.5 | -90.7 | 0 | 0 | 0 | 109.7 | E11 V18 V218 | E11-Y13 PolarHBondContact O-N 3.02Å; Y13-V18 HydrophobicContact CD2-CG2 3.47Å; Y13-V18 VanDerWaalsContact CD2-CG2 3.47Å; Y13-V18 HydrophobicContact CE2-CG2 3.78Å; Y13-V18 HydrophobicContact CG-CG2 4.45Å; Y13-V218 HydrophobicContact CD1-CG2 3.63Å; Y13-V218 HydrophobicContact CD2-CG1 4.41Å; Y13-V218 HydrophobicContact CE1-CG2 4.05Å; Y13-V218 HydrophobicContact CG-CG1 4.32Å; Y13-V218 HydrophobicContact CG-CG2 4Å | ||
| 14 | S | 80.5 | Confident | 72.1 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.119 | 35% | 0.351 | C | S | . | . | trans | -76.9 | 129.2 | 174.3 | 166.1 | 0 | 0 | 0 | 0 | 110.2 | S16 T17 V18 D201 | S14-S16 VanDerWaalsContact C-N 3.26Å; S14-S16 PolarHBondContact O-N 3.39Å; S14-S16 PolarHBondContact OG-N 3.01Å; S14-S16 PolarHBondContact OG-OG 3.22Å; S14-T17 PolarHBondContact O-N 3.02Å; S14-T17 PolarHBondContact O-OG1 3.44Å; S14-V18 PolarHBondContact O-N 3.47Å; S14-D201 VanDerWaalsContact OG-CG 3.23Å; S14-D201 PolarHBondContact OG-OD2 2.96Å | ||
| 15 | A | 87 | Confident | 74.2 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 22% | 0.223 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T17 V18 V19 Y77 | A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 3.39Å; A15-V18 PolarHBondContact O-N 3.4Å; A15-V19 WeakPolarHBondContact O-CG2 3.45Å; A15-V19 PolarHBondContact O-N 3.05Å; A15-Y77 HydrophobicContact CB-CD1 4.04Å; A15-Y77 HydrophobicContact CB-CD2 3.94Å; A15-Y77 HydrophobicContact CB-CG 3.53Å |
| 16 | S | 88.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | -176.6 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | S14 V19 V20 N74 V197 D201 | S14-S16 VanDerWaalsContact C-N 3.26Å; S14-S16 PolarHBondContact O-N 3.39Å; S14-S16 PolarHBondContact OG-N 3.01Å; S14-S16 PolarHBondContact OG-OG 3.22Å; S16-V19 PolarHBondContact O-N 2.93Å; S16-V20 WeakPolarHBondContact O-CG2 3.36Å; S16-V20 PolarHBondContact O-N 3.49Å; S16-V20 VanDerWaalsContact O-N 3.09Å; S16-N74 VanDerWaalsContact CA-OD1 3.28Å; S16-N74 WeakPolarHBondContact CA-OD1 3.33Å; S16-N74 WeakPolarHBondContact CB-OD1 3.21Å; S16-V197 WeakPolarHBondContact OG-CG2 3.31Å; S16-D201 PolarHBondContact OG-OD2 2.93Å |
| 17 | T | 92 | Very high | 79.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69 | -38 | 175.9 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | S14 A15 V19 V20 C21 V197 V205 F210 Y214 | S14-T17 PolarHBondContact O-N 3.02Å; S14-T17 PolarHBondContact O-OG1 3.44Å; A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 3.39Å; T17-V19 PolarHBondContact O-N 3.4Å; T17-V20 PolarHBondContact O-N 3.22Å; T17-C21 PolarHBondContact O-N 3.45Å; T17-C21 PolarHBondContact O-SG 2.97Å; T17-V197 HydrophobicContact CG2-CG1 3.92Å; T17-V197 HydrophobicContact CG2-CG2 4.08Å; T17-V205 HydrophobicContact CG2-CG2 4.05Å; T17-F210 HydrophobicContact CG2-CD1 4.43Å; T17-F210 HydrophobicContact CG2-CD2 3.88Å; T17-F210 HydrophobicContact CG2-CE1 4.26Å; T17-F210 HydrophobicContact CG2-CE2 3.69Å; T17-F210 HydrophobicContact CG2-CG 4.26Å; T17-F210 HydrophobicContact CG2-CZ 3.89Å; T17-Y214 WeakPolarHBondContact CB-OH 3.43Å; T17-Y214 PolarHBondContact O-OH 3.01Å; T17-Y214 PolarHBondContact OG1-OH 3.11Å; T17-Y214 VanDerWaalsContact OG1-OH 3.11Å |
| 18 | V | 92.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | Y13 S14 A15 V20 C21 S22 Y77 Y214 V218 V221 V222 | Y13-V18 HydrophobicContact CD2-CG2 3.47Å; Y13-V18 VanDerWaalsContact CD2-CG2 3.47Å; Y13-V18 HydrophobicContact CE2-CG2 3.78Å; Y13-V18 HydrophobicContact CG-CG2 4.45Å; S14-V18 PolarHBondContact O-N 3.47Å; A15-V18 PolarHBondContact O-N 3.4Å; V18-V20 PolarHBondContact O-N 3.14Å; V18-C21 PolarHBondContact O-N 2.88Å; V18-S22 WeakPolarHBondContact O-CB 3.3Å; V18-S22 PolarHBondContact O-N 2.82Å; V18-Y77 HydrophobicContact CG1-CE2 4.47Å; V18-Y77 WeakPolarHBondContact CG1-OH 3.24Å; V18-Y214 WeakPolarHBondContact CA-OH 3.45Å; V18-Y214 HydrophobicContact CG2-CE2 4.39Å; V18-Y214 PolarHBondContact N-OH 3.35Å; V18-Y214 VanDerWaalsContact N-OH 3.1Å; V18-V218 HydrophobicContact CG2-CG1 3.67Å; V18-V221 HydrophobicContact CG1-CG1 4.47Å; V18-V222 HydrophobicContact CB-CG2 4.46Å; V18-V222 HydrophobicContact CG1-CG2 3.81Å |
| 19 | V | 93 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -50.8 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | A15 S16 T17 C21 S22 E23 I70 N73 Y77 | A15-V19 WeakPolarHBondContact O-CG2 3.45Å; A15-V19 PolarHBondContact O-N 3.05Å; S16-V19 PolarHBondContact O-N 2.93Å; T17-V19 PolarHBondContact O-N 3.4Å; V19-C21 PolarHBondContact O-N 2.94Å; V19-S22 PolarHBondContact O-N 3.06Å; V19-S22 VanDerWaalsContact O-N 3.13Å; V19-S22 PolarHBondContact O-OG 3.07Å; V19-E23 HydrophobicContact CG1-CG 4.35Å; V19-E23 WeakPolarHBondContact O-CG 3.34Å; V19-E23 PolarHBondContact O-N 3.42Å; V19-I70 HydrophobicContact CG1-CD1 3.86Å; V19-N73 HydrophobicContact CG1-CB 4.03Å; V19-N73 HydrophobicContact CG2-CB 3.72Å; V19-Y77 HydrophobicContact CG2-CD2 3.76Å; V19-Y77 HydrophobicContact CG2-CE2 3.53Å |
| 20 | V | 94.8 | Very high | 86.7 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 112 | S16 T17 V18 S22 E23 F24 G193 L194 V197 F210 | S16-V20 WeakPolarHBondContact O-CG2 3.36Å; S16-V20 PolarHBondContact O-N 3.49Å; S16-V20 VanDerWaalsContact O-N 3.09Å; T17-V20 PolarHBondContact O-N 3.22Å; V18-V20 PolarHBondContact O-N 3.14Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.15Å; V20-E23 PolarHBondContact O-N 2.87Å; V20-F24 WeakPolarHBondContact O-CB 3.32Å; V20-F24 PolarHBondContact O-N 3.35Å; V20-G193 WeakPolarHBondContact CG2-O 3.33Å; V20-L194 HydrophobicContact CG1-CD2 3.78Å; V20-L194 HydrophobicContact CG1-CG 3.92Å; V20-L194 HydrophobicContact CG2-CD2 4.48Å; V20-L194 HydrophobicContact CG2-CG 4.45Å; V20-V197 HydrophobicContact CG2-CG2 3.78Å; V20-F210 HydrophobicContact CB-CZ 4.3Å; V20-F210 HydrophobicContact CG1-CZ 4.13Å |
| 21 | C | 95.2 | Very high | 88.9 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 10% | 0.095 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 176.9 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | T17 V18 V19 F24 L25 Y214 V222 | T17-C21 PolarHBondContact O-N 3.45Å; T17-C21 PolarHBondContact O-SG 2.97Å; V18-C21 PolarHBondContact O-N 2.88Å; V19-C21 PolarHBondContact O-N 2.94Å; C21-F24 PolarHBondContact O-N 3.18Å; C21-L25 WeakPolarHBondContact O-CB 3.47Å; C21-L25 PolarHBondContact O-N 3.43Å; C21-Y214 PolarHBondContact SG-OH 2.93Å; C21-Y214 VanDerWaalsContact SG-OH 3.41Å; C21-V222 HydrophobicContact CB-CG1 3.78Å; C21-V222 HydrophobicContact CB-CG2 4.01Å |
| 22 | S | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 178.7 | 78.7 | 0 | 0 | 0 | 0 | 112.1 | V18 V19 V20 L25 K26 Q225 | V18-S22 WeakPolarHBondContact O-CB 3.3Å; V18-S22 PolarHBondContact O-N 2.82Å; V19-S22 PolarHBondContact O-N 3.06Å; V19-S22 VanDerWaalsContact O-N 3.13Å; V19-S22 PolarHBondContact O-OG 3.07Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.15Å; S22-L25 PolarHBondContact O-N 3.49Å; S22-K26 WeakPolarHBondContact O-CB 3.25Å; S22-K26 WeakPolarHBondContact O-CE 3.45Å; S22-K26 WeakPolarHBondContact O-CG 3.45Å; S22-K26 PolarHBondContact O-N 3.42Å; S22-Q225 PolarHBondContact OG-OE1 2.92Å |
| 23 | E | 94.4 | Very high | 92 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | 175.9 | -66.3 | -60.2 | 153.2 | 0 | 0 | 111.5 | V19 V20 K26 L27 I70 V190 | V19-E23 HydrophobicContact CG1-CG 4.35Å; V19-E23 WeakPolarHBondContact O-CG 3.34Å; V19-E23 PolarHBondContact O-N 3.42Å; V20-E23 PolarHBondContact O-N 2.87Å; E23-K26 PolarHBondContact O-N 3.34Å; E23-K26 IonicContact OE1-NZ 2.83Å; E23-K26 PolarHBondContact OE1-NZ 2.8Å; E23-K26 VanDerWaalsContact OE2-CE 3.29Å; E23-K26 WeakPolarHBondContact OE2-CE 3.5Å; E23-K26 IonicContact OE2-NZ 3.39Å; E23-K26 PolarHBondContact OE2-NZ 3.44Å; E23-L27 WeakPolarHBondContact O-CB 2.97Å; E23-L27 PolarHBondContact O-N 3.05Å; E23-I70 HydrophobicContact CG-CD1 3.68Å; E23-V190 HydrophobicContact CB-CG2 3.93Å |
| 24 | F | 96 | Very high | 92.7 | Very high | 100 Ų | 100 | 28 Ų | 28 | 44% | 0.439 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.3 | -177.6 | -105 | 0 | 0 | 0 | 111.6 | V20 C21 L27 L28 V190 | V20-F24 WeakPolarHBondContact O-CB 3.32Å; V20-F24 PolarHBondContact O-N 3.35Å; C21-F24 PolarHBondContact O-N 3.18Å; F24-L27 HydrophobicContact CD2-CD2 4.49Å; F24-L27 WeakPolarHBondContact O-CB 3.44Å; F24-L27 PolarHBondContact O-N 3.24Å; F24-L28 HydrophobicContact CD1-CD1 3.99Å; F24-L28 HydrophobicContact CD1-CG 4.42Å; F24-L28 HydrophobicContact CE1-CD1 3.44Å; F24-L28 VanDerWaalsContact CE1-CD1 3.44Å; F24-L28 HydrophobicContact CE1-CG 4.03Å; F24-L28 HydrophobicContact CZ-CD1 3.87Å; F24-L28 HydrophobicContact CZ-CD2 4.22Å; F24-L28 HydrophobicContact CZ-CG 4.08Å; F24-L28 WeakPolarHBondContact O-CG 3.46Å; F24-L28 PolarHBondContact O-N 3.08Å; F24-V190 HydrophobicContact CB-CG2 3.94Å; F24-V190 HydrophobicContact CD2-CG2 4.4Å |
| 25 | L | 95.6 | Very high | 93.2 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 20% | 0.199 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 176 | -161.4 | 154.4 | 0 | 0 | 0 | 111 | C21 S22 L27 L28 L29 V222 I223 A226 | C21-L25 WeakPolarHBondContact O-CB 3.47Å; C21-L25 PolarHBondContact O-N 3.43Å; S22-L25 PolarHBondContact O-N 3.49Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L27 PolarHBondContact O-N 3.46Å; L25-L28 PolarHBondContact O-N 3.05Å; L25-L29 HydrophobicContact CD2-CD1 3.34Å; L25-L29 HydrophobicContact CD2-CG 3.74Å; L25-L29 WeakPolarHBondContact O-CB 3.43Å; L25-L29 WeakPolarHBondContact O-CG 3.37Å; L25-L29 PolarHBondContact O-N 3.33Å; L25-V222 HydrophobicContact CD1-CG1 4.31Å; L25-I223 HydrophobicContact CD1-CG1 4.02Å; L25-A226 HydrophobicContact CB-CB 4Å; L25-A226 HydrophobicContact CD2-CB 3.5Å; L25-A226 VanDerWaalsContact CD2-CB 3.5Å; L25-A226 HydrophobicContact CG-CB 4.23Å |
| 26 | K | 93.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 11% | 0.113 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 173.2 | -78.1 | -174.6 | -77.1 | 154.2 | 0 | 112.5 | S22 E23 L29 S30 A226 L230 | S22-K26 WeakPolarHBondContact O-CB 3.25Å; S22-K26 WeakPolarHBondContact O-CE 3.45Å; S22-K26 WeakPolarHBondContact O-CG 3.45Å; S22-K26 PolarHBondContact O-N 3.42Å; E23-K26 PolarHBondContact O-N 3.34Å; E23-K26 IonicContact OE1-NZ 2.83Å; E23-K26 PolarHBondContact OE1-NZ 2.8Å; E23-K26 VanDerWaalsContact OE2-CE 3.29Å; E23-K26 WeakPolarHBondContact OE2-CE 3.5Å; E23-K26 IonicContact OE2-NZ 3.39Å; E23-K26 PolarHBondContact OE2-NZ 3.44Å; K26-L29 PolarHBondContact O-N 3.2Å; K26-S30 VanDerWaalsContact O-CB 3.24Å; K26-S30 WeakPolarHBondContact O-CB 3.46Å; K26-S30 PolarHBondContact O-N 3.12Å; K26-S30 PolarHBondContact O-OG 3.41Å; K26-A226 VanDerWaalsContact CG-CA 3.5Å; K26-A226 HydrophobicContact CG-CB 3.7Å; K26-A226 WeakPolarHBondContact CG-O 3.4Å; K26-L230 HydrophobicContact CG-CG 4.33Å |
| 27 | L | 94.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 175.9 | 174.4 | 67 | 0 | 0 | 0 | 110.8 | E23 F24 L25 S30 T31 L183 L187 V190 | E23-L27 WeakPolarHBondContact O-CB 2.97Å; E23-L27 PolarHBondContact O-N 3.05Å; F24-L27 HydrophobicContact CD2-CD2 4.49Å; F24-L27 WeakPolarHBondContact O-CB 3.44Å; F24-L27 PolarHBondContact O-N 3.24Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L27 PolarHBondContact O-N 3.46Å; L27-S30 PolarHBondContact O-N 3.47Å; L27-T31 WeakPolarHBondContact O-CB 3.34Å; L27-T31 PolarHBondContact O-N 2.91Å; L27-T31 PolarHBondContact O-OG1 2.65Å; L27-L183 HydrophobicContact CD1-CG 4.04Å; L27-L183 WeakPolarHBondContact CD1-O 3.38Å; L27-L187 HydrophobicContact CD1-CB 4.41Å; L27-L187 HydrophobicContact CD1-CD2 3.73Å; L27-L187 HydrophobicContact CD1-CG 3.64Å; L27-L187 HydrophobicContact CD2-CD2 4.01Å; L27-L187 HydrophobicContact CG-CD2 4.49Å; L27-V190 HydrophobicContact CD2-CG2 4.4Å |
| 28 | L | 95.5 | Very high | 93.2 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 44% | 0.44 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 177.8 | -73 | -179.2 | 0 | 0 | 0 | 111.6 | F24 L25 S30 T31 I32 | F24-L28 HydrophobicContact CD1-CD1 3.99Å; F24-L28 HydrophobicContact CD1-CG 4.42Å; F24-L28 HydrophobicContact CE1-CD1 3.44Å; F24-L28 VanDerWaalsContact CE1-CD1 3.44Å; F24-L28 HydrophobicContact CE1-CG 4.03Å; F24-L28 HydrophobicContact CZ-CD1 3.87Å; F24-L28 HydrophobicContact CZ-CD2 4.22Å; F24-L28 HydrophobicContact CZ-CG 4.08Å; F24-L28 WeakPolarHBondContact O-CG 3.46Å; F24-L28 PolarHBondContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 3.05Å; L28-S30 PolarHBondContact O-N 2.84Å; L28-T31 WeakPolarHBondContact O-CB 3.37Å; L28-T31 PolarHBondContact O-N 2.89Å; L28-I32 WeakPolarHBondContact O-CG1 3.23Å; L28-I32 PolarHBondContact O-N 2.68Å |
| 29 | L | 94.4 | Very high | 92.8 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.8 | -72.7 | -177.8 | 0 | 0 | 0 | 112 | L25 K26 T31 I32 L33 F227 L230 | L25-L29 HydrophobicContact CD2-CD1 3.34Å; L25-L29 HydrophobicContact CD2-CG 3.74Å; L25-L29 WeakPolarHBondContact O-CB 3.43Å; L25-L29 WeakPolarHBondContact O-CG 3.37Å; L25-L29 PolarHBondContact O-N 3.33Å; K26-L29 PolarHBondContact O-N 3.2Å; L29-T31 VanDerWaalsContact C-N 3.28Å; L29-T31 PolarHBondContact O-N 3.16Å; L29-I32 PolarHBondContact O-N 3.41Å; L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.92Å; L29-F227 HydrophobicContact CD1-CD2 4.38Å; L29-F227 HydrophobicContact CD1-CE1 4.21Å; L29-F227 HydrophobicContact CD1-CE2 3.99Å; L29-F227 HydrophobicContact CD1-CZ 3.91Å; L29-L230 HydrophobicContact CB-CD1 3.59Å; L29-L230 HydrophobicContact CD1-CD1 3.5Å; L29-L230 HydrophobicContact CG-CD1 4.22Å |
| 30 | S | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | K26 L27 L28 L33 I34 N182 | K26-S30 VanDerWaalsContact O-CB 3.24Å; K26-S30 WeakPolarHBondContact O-CB 3.46Å; K26-S30 PolarHBondContact O-N 3.12Å; K26-S30 PolarHBondContact O-OG 3.41Å; L27-S30 PolarHBondContact O-N 3.47Å; L28-S30 PolarHBondContact O-N 2.84Å; S30-L33 PolarHBondContact O-N 3.31Å; S30-I34 WeakPolarHBondContact O-CD1 3.32Å; S30-I34 VanDerWaalsContact O-CG1 3.25Å; S30-I34 WeakPolarHBondContact O-CG1 3.4Å; S30-I34 PolarHBondContact O-N 3.01Å; S30-N182 VanDerWaalsContact OG-CB 3.27Å; S30-N182 WeakPolarHBondContact OG-CB 3.35Å |
| 31 | T | 93.5 | Very high | 92.3 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -52.2 | 174.6 | -56 | 0 | 0 | 0 | 0 | 110.5 | L27 L28 L29 L33 I34 F35 L183 | L27-T31 WeakPolarHBondContact O-CB 3.34Å; L27-T31 PolarHBondContact O-N 2.91Å; L27-T31 PolarHBondContact O-OG1 2.65Å; L28-T31 WeakPolarHBondContact O-CB 3.37Å; L28-T31 PolarHBondContact O-N 2.89Å; L29-T31 VanDerWaalsContact C-N 3.28Å; L29-T31 PolarHBondContact O-N 3.16Å; T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 2.87Å; T31-I34 PolarHBondContact O-N 3.23Å; T31-I34 VanDerWaalsContact O-N 3.12Å; T31-F35 HydrophobicContact CG2-CD2 3.89Å; T31-F35 HydrophobicContact CG2-CE2 3.65Å; T31-F35 VanDerWaalsContact O-CD2 3.22Å; T31-F35 WeakPolarHBondContact O-CD2 3.49Å; T31-F35 PolarHBondContact O-N 3.36Å; T31-F35 VanDerWaalsContact O-N 3.08Å; T31-L183 WeakPolarHBondContact OG1-CD1 3.26Å |
| 32 | I | 93.9 | Very high | 92 | Very high | 108 Ų | 108 | 66.1 Ų | 66.1 | 55% | 0.554 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.7 | -42.9 | 177.8 | -67.4 | 164.9 | 0 | 0 | 0 | 111.2 | L28 L29 I34 F35 Y36 | L28-I32 WeakPolarHBondContact O-CG1 3.23Å; L28-I32 PolarHBondContact O-N 2.68Å; L29-I32 PolarHBondContact O-N 3.41Å; I32-I34 PolarHBondContact O-N 3.18Å; I32-F35 PolarHBondContact O-N 3.09Å; I32-Y36 WeakPolarHBondContact O-CB 3.21Å; I32-Y36 PolarHBondContact O-N 3.44Å |
| 33 | L | 91.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 73 Ų | 73 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -32.8 | 179.2 | -71.7 | 171.9 | 0 | 0 | 0 | 113.1 | L29 S30 T31 Y36 Q37 W179 | L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.92Å; S30-L33 PolarHBondContact O-N 3.31Å; T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 2.87Å; L33-Y36 PolarHBondContact O-N 3.39Å; L33-Q37 VanDerWaalsContact O-CB 3.28Å; L33-Q37 WeakPolarHBondContact O-CB 3.04Å; L33-Q37 PolarHBondContact O-N 3.26Å; L33-W179 HydrophobicContact CB-CD2 4.07Å; L33-W179 HydrophobicContact CB-CE3 4.37Å; L33-W179 HydrophobicContact CB-CG 4.15Å; L33-W179 HydrophobicContact CD1-CD2 3.96Å; L33-W179 HydrophobicContact CD1-CE3 3.51Å; L33-W179 HydrophobicContact CD1-CH2 3.78Å; L33-W179 HydrophobicContact CD1-CZ2 4.19Å; L33-W179 HydrophobicContact CD1-CZ3 3.43Å; L33-W179 VanDerWaalsContact CD1-CZ3 3.43Å |
| 34 | I | 91.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 172.2 | -68.7 | 160.2 | 0 | 0 | 0 | 110.2 | S30 T31 I32 Y36 Q37 E38 I48 W179 M180 L183 | S30-I34 WeakPolarHBondContact O-CD1 3.32Å; S30-I34 VanDerWaalsContact O-CG1 3.25Å; S30-I34 WeakPolarHBondContact O-CG1 3.4Å; S30-I34 PolarHBondContact O-N 3.01Å; T31-I34 PolarHBondContact O-N 3.23Å; T31-I34 VanDerWaalsContact O-N 3.12Å; I32-I34 PolarHBondContact O-N 3.18Å; I34-Y36 VanDerWaalsContact C-N 3.27Å; I34-Y36 PolarHBondContact O-N 3.01Å; I34-Q37 PolarHBondContact O-N 3.45Å; I34-E38 HydrophobicContact CG2-CG 4.24Å; I34-E38 WeakPolarHBondContact O-CB 3.29Å; I34-E38 WeakPolarHBondContact O-CG 3.28Å; I34-E38 PolarHBondContact O-N 2.85Å; I34-I48 HydrophobicContact CG2-CD1 4.21Å; I34-I48 HydrophobicContact CG2-CG1 4.23Å; I34-W179 HydrophobicContact CD1-CB 4.36Å; I34-W179 HydrophobicContact CG1-CB 3.7Å; I34-M180 HydrophobicContact CD1-CB 4.33Å; I34-M180 HydrophobicContact CD1-CE 4.19Å; I34-M180 HydrophobicContact CD1-SD 4.1Å; I34-M180 HydrophobicContact CG2-CE 4.32Å; I34-L183 HydrophobicContact CD1-CB 3.91Å; I34-L183 HydrophobicContact CD1-CD1 3.48Å; I34-L183 VanDerWaalsContact CD1-CD1 3.48Å; I34-L183 HydrophobicContact CD1-CG 4.3Å |
| 35 | F | 92.7 | Very high | 91.3 | Very high | 67 Ų | 67 | 72.3 Ų | 72.3 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 176.5 | -81.3 | -78.8 | 0 | 0 | 0 | 112.3 | T31 I32 G39 I41 S44 I45 I48 | T31-F35 HydrophobicContact CG2-CD2 3.89Å; T31-F35 HydrophobicContact CG2-CE2 3.65Å; T31-F35 VanDerWaalsContact O-CD2 3.22Å; T31-F35 WeakPolarHBondContact O-CD2 3.49Å; T31-F35 PolarHBondContact O-N 3.36Å; T31-F35 VanDerWaalsContact O-N 3.08Å; I32-F35 PolarHBondContact O-N 3.09Å; F35-G39 PolarHBondContact O-N 2.86Å; F35-I41 HydrophobicContact CD1-CG1 4.26Å; F35-I41 HydrophobicContact CE1-CB 4.31Å; F35-I41 HydrophobicContact CE1-CG1 4.38Å; F35-I41 HydrophobicContact CE1-CG2 3.99Å; F35-S44 VanDerWaalsContact CD1-CB 3.41Å; F35-S44 WeakPolarHBondContact CD1-OG 3.46Å; F35-S44 VanDerWaalsContact CE1-CB 3.45Å; F35-I45 HydrophobicContact CE1-CG1 4.09Å; F35-I45 HydrophobicContact CZ-CG1 3.94Å; F35-I48 HydrophobicContact CE2-CD1 4.28Å |
| 36 | Y | 90.8 | Very high | 91.1 | Very high | 199 Ų | 199 | 73.3 Ų | 73.3 | 78% | 0.78 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.6 | -42.4 | 174.9 | -173.9 | -99.4 | 0 | 0 | 0 | 112.4 | I32 L33 I34 | I32-Y36 WeakPolarHBondContact O-CB 3.21Å; I32-Y36 PolarHBondContact O-N 3.44Å; L33-Y36 PolarHBondContact O-N 3.39Å; I34-Y36 VanDerWaalsContact C-N 3.27Å; I34-Y36 PolarHBondContact O-N 3.01Å |
| 37 | Q | 88.1 | Confident | 90.8 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | -178.5 | -171.2 | -178.7 | -67.2 | 0 | 0 | 112.6 | L33 I34 W179 R237 | L33-Q37 VanDerWaalsContact O-CB 3.28Å; L33-Q37 WeakPolarHBondContact O-CB 3.04Å; L33-Q37 PolarHBondContact O-N 3.26Å; I34-Q37 PolarHBondContact O-N 3.45Å; Q37-W179 VanDerWaalsContact OE1-NE1 3.17Å; Q37-R237 VanDerWaalsContact OE1-NH1 3.16Å |
| 38 | E | 87.3 | Confident | 90.6 | Very high | 66 Ų | 66 | 74.2 Ų | 74.2 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -81.2 | -20.6 | -177.6 | -66.5 | -67.3 | 162.2 | 0 | 0 | 112.7 | I34 Q40 S44 | I34-E38 HydrophobicContact CG2-CG 4.24Å; I34-E38 WeakPolarHBondContact O-CB 3.29Å; I34-E38 WeakPolarHBondContact O-CG 3.28Å; I34-E38 PolarHBondContact O-N 2.85Å; E38-Q40 PolarHBondContact O-N 3.21Å; E38-S44 WeakPolarHBondContact CB-OG 3.33Å |
| 39 | G | 84.9 | Confident | 90.4 | Very high | 65 Ų | 65 | 76.3 Ų | 76.3 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | trans | 68.1 | -23.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F35 | F35-G39 PolarHBondContact O-N 2.86Š| ||
| 40 | Q | 88.3 | Confident | 90.2 | Very high | 96 Ų | 96 | 78 Ų | 78 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | trans | -116.5 | 126 | 177.1 | -64 | -175.4 | 0.7 | 0 | 0 | 111.1 | E38 K42 R43 S44 | E38-Q40 PolarHBondContact O-N 3.21Å; Q40-K42 VanDerWaalsContact C-N 3.33Å; Q40-K42 PolarHBondContact O-N 3.41Å; Q40-R43 HydrophobicContact CB-CB 4.14Å; Q40-R43 HydrophobicContact CB-CG 4.01Å; Q40-R43 PolarHBondContact O-N 3.17Å; Q40-R43 VanDerWaalsContact O-N 3.17Å; Q40-R43 VanDerWaalsContact OE1-CZ 3.28Å; Q40-S44 PolarHBondContact O-N 2.94Å; Q40-S44 PolarHBondContact O-OG 3.26Å | ||
| 41 | I | 89.1 | Confident | 89.9 | Confident | 115 Ų | 115 | 78.9 Ų | 78.9 | 59% | 0.59 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -56 | -46 | 179.8 | -66.4 | 168.6 | 0 | 0 | 0 | 111.3 | F35 R43 S44 I45 | F35-I41 HydrophobicContact CD1-CG1 4.26Å; F35-I41 HydrophobicContact CE1-CB 4.31Å; F35-I41 HydrophobicContact CE1-CG1 4.38Å; F35-I41 HydrophobicContact CE1-CG2 3.99Å; I41-R43 PolarHBondContact O-N 2.86Å; I41-S44 WeakPolarHBondContact O-CB 3.43Å; I41-S44 PolarHBondContact O-N 3.2Å; I41-I45 HydrophobicContact CG2-CD1 3.72Å; I41-I45 HydrophobicContact CG2-CG1 4.42Å; I41-I45 WeakPolarHBondContact O-CG1 3.33Å; I41-I45 PolarHBondContact O-N 2.93Å |
| 42 | K | 89.8 | Confident | 89.7 | Confident | 181 Ų | 181 | 79.2 Ų | 79.2 | 79% | 0.787 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 179.9 | -68.4 | -174.4 | 178.9 | -178.3 | 0 | 112.4 | Q40 S46 | Q40-K42 VanDerWaalsContact C-N 3.33Å; Q40-K42 PolarHBondContact O-N 3.41Å; K42-S46 VanDerWaalsContact O-CB 3.3Å; K42-S46 WeakPolarHBondContact O-CB 3.27Å; K42-S46 PolarHBondContact O-N 3.3Å |
| 43 | R | 89.1 | Confident | 89.4 | Confident | 145 Ų | 145 | 78.6 Ų | 78.6 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.7 | -66.8 | -174.1 | -176.7 | 167.7 | 2 | 111.5 | Q40 I41 S46 S47 | Q40-R43 HydrophobicContact CB-CB 4.14Å; Q40-R43 HydrophobicContact CB-CG 4.01Å; Q40-R43 PolarHBondContact O-N 3.17Å; Q40-R43 VanDerWaalsContact O-N 3.17Å; Q40-R43 VanDerWaalsContact OE1-CZ 3.28Å; I41-R43 PolarHBondContact O-N 2.86Å; R43-S46 PolarHBondContact O-N 3.48Å; R43-S47 VanDerWaalsContact O-CB 3.27Å; R43-S47 WeakPolarHBondContact O-CB 3.48Å; R43-S47 PolarHBondContact O-N 3.17Å |
| 44 | S | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 176.5 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | F35 E38 Q40 I41 S46 S47 I48 | F35-S44 VanDerWaalsContact CD1-CB 3.41Å; F35-S44 WeakPolarHBondContact CD1-OG 3.46Å; F35-S44 VanDerWaalsContact CE1-CB 3.45Å; E38-S44 WeakPolarHBondContact CB-OG 3.33Å; Q40-S44 PolarHBondContact O-N 2.94Å; Q40-S44 PolarHBondContact O-OG 3.26Å; I41-S44 WeakPolarHBondContact O-CB 3.43Å; I41-S44 PolarHBondContact O-N 3.2Å; S44-S46 PolarHBondContact O-N 3.36Å; S44-S47 PolarHBondContact O-N 2.91Å; S44-I48 WeakPolarHBondContact O-CB 3.41Å; S44-I48 VanDerWaalsContact O-CG1 3.24Å; S44-I48 WeakPolarHBondContact O-CG1 3.17Å; S44-I48 PolarHBondContact O-N 2.85Å |
| 45 | I | 90.8 | Very high | 88.7 | Confident | 96 Ų | 96 | 84.1 Ų | 84.1 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 178.4 | -65.9 | 170.3 | 0 | 0 | 0 | 110.7 | F35 I41 I48 Y49 | F35-I45 HydrophobicContact CE1-CG1 4.09Å; F35-I45 HydrophobicContact CZ-CG1 3.94Å; I41-I45 HydrophobicContact CG2-CD1 3.72Å; I41-I45 HydrophobicContact CG2-CG1 4.42Å; I41-I45 WeakPolarHBondContact O-CG1 3.33Å; I41-I45 PolarHBondContact O-N 2.93Å; I45-I48 PolarHBondContact O-N 3.33Å; I45-Y49 VanDerWaalsContact O-CB 3.27Å; I45-Y49 WeakPolarHBondContact O-CB 3.5Å; I45-Y49 PolarHBondContact O-N 3.13Å |
| 46 | S | 90.2 | Very high | 88.4 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | K42 R43 S44 Y49 N50 | K42-S46 VanDerWaalsContact O-CB 3.3Å; K42-S46 WeakPolarHBondContact O-CB 3.27Å; K42-S46 PolarHBondContact O-N 3.3Å; R43-S46 PolarHBondContact O-N 3.48Å; S44-S46 PolarHBondContact O-N 3.36Å; S46-Y49 PolarHBondContact O-N 3.41Å; S46-N50 WeakPolarHBondContact O-CB 3.36Å; S46-N50 PolarHBondContact O-N 3.22Å; S46-N50 PolarHBondContact O-ND2 3.44Å |
| 47 | S | 88.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 82 Ų | 82 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 176 | -175 | 0 | 0 | 0 | 0 | 111.2 | R43 S44 N50 Q51 M180 | R43-S47 VanDerWaalsContact O-CB 3.27Å; R43-S47 WeakPolarHBondContact O-CB 3.48Å; R43-S47 PolarHBondContact O-N 3.17Å; S44-S47 PolarHBondContact O-N 2.91Å; S47-N50 PolarHBondContact O-N 3.01Å; S47-Q51 WeakPolarHBondContact O-CB 3.43Å; S47-Q51 PolarHBondContact O-N 3.25Å; S47-M180 WeakPolarHBondContact OG-CE 3.46Å |
| 48 | I | 90.6 | Very high | 88.3 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 14% | 0.138 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 174.6 | -70.4 | 171.8 | 0 | 0 | 0 | 110.3 | I34 F35 S44 I45 N50 Q51 I52 M180 L183 | I34-I48 HydrophobicContact CG2-CD1 4.21Å; I34-I48 HydrophobicContact CG2-CG1 4.23Å; F35-I48 HydrophobicContact CE2-CD1 4.28Å; S44-I48 WeakPolarHBondContact O-CB 3.41Å; S44-I48 VanDerWaalsContact O-CG1 3.24Å; S44-I48 WeakPolarHBondContact O-CG1 3.17Å; S44-I48 PolarHBondContact O-N 2.85Å; I45-I48 PolarHBondContact O-N 3.33Å; I48-N50 PolarHBondContact O-N 3.19Å; I48-Q51 PolarHBondContact O-N 3.32Å; I48-I52 HydrophobicContact CG2-CD1 3.36Å; I48-I52 HydrophobicContact CG2-CG1 4.19Å; I48-I52 VanDerWaalsContact O-CB 3.3Å; I48-I52 WeakPolarHBondContact O-CB 3.36Å; I48-I52 WeakPolarHBondContact O-CG1 3.42Å; I48-I52 PolarHBondContact O-N 2.83Å; I48-M180 HydrophobicContact CB-CE 4.41Å; I48-M180 HydrophobicContact CG1-CE 3.77Å; I48-M180 HydrophobicContact CG1-SD 4.11Å; I48-L183 HydrophobicContact CD1-CD1 4Å; I48-L183 HydrophobicContact CG1-CD1 4.22Å |
| 49 | Y | 91.2 | Very high | 88.5 | Confident | 128 Ų | 128 | 77.2 Ų | 77.2 | 50% | 0.502 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 178.7 | 180 | -88.9 | 0 | 0 | 0 | 112 | I45 S46 Q51 I52 I53 V54 | I45-Y49 VanDerWaalsContact O-CB 3.27Å; I45-Y49 WeakPolarHBondContact O-CB 3.5Å; I45-Y49 PolarHBondContact O-N 3.13Å; S46-Y49 PolarHBondContact O-N 3.41Å; Y49-Q51 PolarHBondContact O-N 3.41Å; Y49-I52 PolarHBondContact O-N 2.97Å; Y49-I53 HydrophobicContact CD2-CD1 3.5Å; Y49-I53 HydrophobicContact CD2-CG1 4.44Å; Y49-I53 HydrophobicContact CE2-CB 4.28Å; Y49-I53 HydrophobicContact CE2-CD1 3.31Å; Y49-I53 HydrophobicContact CE2-CG1 4.33Å; Y49-I53 HydrophobicContact CE2-CG2 4.33Å; Y49-I53 HydrophobicContact CG-CD1 4.43Å; Y49-I53 WeakPolarHBondContact O-CB 3.49Å; Y49-I53 PolarHBondContact O-N 3.07Å; Y49-V54 HydrophobicContact CD1-CG2 4.5Å; Y49-V54 HydrophobicContact CE1-CG2 4.24Å |
| 50 | N | 89.3 | Confident | 88.8 | Confident | 76 Ų | 76 | 78.9 Ų | 78.9 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -62.1 | -44.5 | 179.1 | -72.1 | -20.5 | 0 | 0 | 0 | 111.3 | S46 S47 I48 V54 Q55 | S46-N50 WeakPolarHBondContact O-CB 3.36Å; S46-N50 PolarHBondContact O-N 3.22Å; S46-N50 PolarHBondContact O-ND2 3.44Å; S47-N50 PolarHBondContact O-N 3.01Å; I48-N50 PolarHBondContact O-N 3.19Å; N50-V54 WeakPolarHBondContact O-CA 3.31Å; N50-V54 VanDerWaalsContact O-CB 3.22Å; N50-V54 WeakPolarHBondContact O-CB 3.48Å; N50-V54 PolarHBondContact O-N 3.34Å; N50-Q55 PolarHBondContact O-N 2.85Å |
| 51 | Q | 87.9 | Confident | 89 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | I | π-helix | trans | -74 | -30.5 | -177.4 | -173 | 65.6 | 65 | 0 | 0 | 113.4 | S47 I48 Y49 Q55 D58 T176 M180 Q184 | S47-Q51 WeakPolarHBondContact O-CB 3.43Å; S47-Q51 PolarHBondContact O-N 3.25Å; I48-Q51 PolarHBondContact O-N 3.32Å; Y49-Q51 PolarHBondContact O-N 3.41Å; Q51-Q55 VanDerWaalsContact OE1-OE1 3.04Å; Q51-D58 PolarHBondContact NE2-OD2 3.47Å; Q51-D58 VanDerWaalsContact NE2-OD2 3.16Å; Q51-T176 HydrophobicContact CG-CG2 4.09Å; Q51-T176 PolarHBondContact OE1-OG1 3.28Å; Q51-M180 HydrophobicContact CB-CE 4.38Å; Q51-M180 HydrophobicContact CB-CG 3.92Å; Q51-M180 HydrophobicContact CB-SD 3.89Å; Q51-M180 HydrophobicContact CG-CG 3.48Å; Q51-M180 VanDerWaalsContact CG-CG 3.48Å; Q51-M180 HydrophobicContact CG-SD 4.02Å; Q51-Q184 PolarHBondContact O-NE2 3.44Å |
| 52 | I | 89 | Confident | 89.2 | Confident | 45 Ų | 45 | 72.8 Ų | 72.8 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -83.8 | -53.1 | 180 | -64.1 | 176.7 | 0 | 0 | 0 | 111.4 | I48 Y49 M59 L183 L187 | I48-I52 HydrophobicContact CG2-CD1 3.36Å; I48-I52 HydrophobicContact CG2-CG1 4.19Å; I48-I52 VanDerWaalsContact O-CB 3.3Å; I48-I52 WeakPolarHBondContact O-CB 3.36Å; I48-I52 WeakPolarHBondContact O-CG1 3.42Å; I48-I52 PolarHBondContact O-N 2.83Å; Y49-I52 PolarHBondContact O-N 2.97Å; I52-M59 HydrophobicContact CB-CE 3.81Å; I52-M59 HydrophobicContact CD1-CE 4.41Å; I52-M59 HydrophobicContact CG1-CE 3.52Å; I52-M59 HydrophobicContact CG2-CE 3.68Å; I52-L183 HydrophobicContact CD1-CD2 4Å; I52-L183 HydrophobicContact CG1-CD2 4.43Å; I52-L187 HydrophobicContact CD1-CD1 3.32Å; I52-L187 HydrophobicContact CG1-CD1 4.11Å |
| 53 | I | 86.7 | Confident | 89.5 | Confident | 95 Ų | 95 | 67.7 Ų | 67.7 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -94.8 | -43.6 | -166.7 | -67 | 172.3 | 0 | 0 | 0 | 110.9 | Y49 | Y49-I53 HydrophobicContact CD2-CD1 3.5Å; Y49-I53 HydrophobicContact CD2-CG1 4.44Å; Y49-I53 HydrophobicContact CE2-CB 4.28Å; Y49-I53 HydrophobicContact CE2-CD1 3.31Å; Y49-I53 HydrophobicContact CE2-CG1 4.33Å; Y49-I53 HydrophobicContact CE2-CG2 4.33Å; Y49-I53 HydrophobicContact CG-CD1 4.43Å; Y49-I53 WeakPolarHBondContact O-CB 3.49Å; Y49-I53 PolarHBondContact O-N 3.07Å |
| 54 | V | 82.9 | Confident | 89.8 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | I | π-helix | trans | -74.8 | -41.3 | -179.3 | -177 | 0 | 0 | 0 | 0 | 110.3 | Y49 N50 Y56 | Y49-V54 HydrophobicContact CD1-CG2 4.5Å; Y49-V54 HydrophobicContact CE1-CG2 4.24Å; N50-V54 WeakPolarHBondContact O-CA 3.31Å; N50-V54 VanDerWaalsContact O-CB 3.22Å; N50-V54 WeakPolarHBondContact O-CB 3.48Å; N50-V54 PolarHBondContact O-N 3.34Å; V54-Y56 VanDerWaalsContact C-N 3.33Å; V54-Y56 PolarHBondContact O-N 3.21Å |
| 55 | Q | 86.2 | Confident | 90 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 53.2 | 177 | -61.8 | -170.8 | -10.1 | 0 | 0 | 112.5 | N50 Q51 N57 D58 M59 | N50-Q55 PolarHBondContact O-N 2.85Å; Q51-Q55 VanDerWaalsContact OE1-OE1 3.04Å; Q55-N57 PolarHBondContact O-N 3.46Å; Q55-D58 HydrophobicContact CB-CB 4.32Å; Q55-D58 WeakPolarHBondContact O-CB 3.5Å; Q55-D58 PolarHBondContact O-N 3.41Å; Q55-D58 VanDerWaalsContact O-N 3.13Å; Q55-D58 PolarHBondContact OE1-OD2 3.27Å; Q55-M59 PolarHBondContact O-N 3.25Å |
| 56 | Y | 87.6 | Confident | 90.2 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 53% | 0.525 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -29.3 | -179.6 | 78.8 | -87.9 | 0 | 0 | 0 | 113.2 | V54 D58 M59 I60 | V54-Y56 VanDerWaalsContact C-N 3.33Å; V54-Y56 PolarHBondContact O-N 3.21Å; Y56-D58 VanDerWaalsContact C-N 3.33Å; Y56-D58 PolarHBondContact O-N 2.97Å; Y56-M59 WeakPolarHBondContact O-CB 3.34Å; Y56-M59 PolarHBondContact O-N 3.4Å; Y56-M59 VanDerWaalsContact O-N 3.14Å; Y56-I60 HydrophobicContact CD2-CD1 3.76Å; Y56-I60 HydrophobicContact CE2-CD1 4.05Å; Y56-I60 WeakPolarHBondContact O-CG1 3.48Å; Y56-I60 PolarHBondContact O-N 3.48Å |
| 57 | N | 88 | Confident | 90.5 | Very high | 88 Ų | 88 | 59.5 Ų | 59.5 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175.9 | -74.9 | -30.8 | 0 | 0 | 0 | 111.8 | Q55 M59 I60 Q61 | Q55-N57 PolarHBondContact O-N 3.46Å; N57-M59 VanDerWaalsContact C-N 3.28Å; N57-M59 PolarHBondContact O-N 3.13Å; N57-I60 PolarHBondContact O-N 3.31Å; N57-Q61 WeakPolarHBondContact O-CG 3.27Å; N57-Q61 PolarHBondContact O-N 3.09Å |
| 58 | D | 88.2 | Confident | 90.9 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 174.5 | -76.9 | 23.8 | 0 | 0 | 0 | 110.8 | Q51 Q55 Y56 Q61 I62 R181 | Q51-D58 PolarHBondContact NE2-OD2 3.47Å; Q51-D58 VanDerWaalsContact NE2-OD2 3.16Å; Q55-D58 HydrophobicContact CB-CB 4.32Å; Q55-D58 WeakPolarHBondContact O-CB 3.5Å; Q55-D58 PolarHBondContact O-N 3.41Å; Q55-D58 VanDerWaalsContact O-N 3.13Å; Q55-D58 PolarHBondContact OE1-OD2 3.27Å; Y56-D58 VanDerWaalsContact C-N 3.33Å; Y56-D58 PolarHBondContact O-N 2.97Å; D58-Q61 PolarHBondContact O-N 3.47Å; D58-I62 WeakPolarHBondContact O-CB 3.4Å; D58-I62 WeakPolarHBondContact O-CG1 3.21Å; D58-I62 PolarHBondContact O-N 2.94Å; D58-R181 IonicContact OD2-CZ 2.72Å; D58-R181 IonicContact OD2-NH1 2.86Å; D58-R181 PolarHBondContact OD2-NH1 2.9Å; D58-R181 IonicContact OD2-NH2 2.68Å; D58-R181 PolarHBondContact OD2-NH2 3.46Å |
| 59 | M | 91 | Very high | 91 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.3 | -78.8 | -62.8 | -149.1 | 0 | 0 | 112.6 | I52 Q55 Y56 N57 Q61 I62 L63 Q184 L187 L188 | I52-M59 HydrophobicContact CB-CE 3.81Å; I52-M59 HydrophobicContact CD1-CE 4.41Å; I52-M59 HydrophobicContact CG1-CE 3.52Å; I52-M59 HydrophobicContact CG2-CE 3.68Å; Q55-M59 PolarHBondContact O-N 3.25Å; Y56-M59 WeakPolarHBondContact O-CB 3.34Å; Y56-M59 PolarHBondContact O-N 3.4Å; Y56-M59 VanDerWaalsContact O-N 3.14Å; N57-M59 VanDerWaalsContact C-N 3.28Å; N57-M59 PolarHBondContact O-N 3.13Å; M59-Q61 VanDerWaalsContact C-N 3.31Å; M59-Q61 PolarHBondContact O-N 3.23Å; M59-I62 PolarHBondContact O-N 2.83Å; M59-L63 PolarHBondContact O-N 3.49Å; M59-Q184 HydrophobicContact CE-CB 4.06Å; M59-Q184 HydrophobicContact CE-CG 3.64Å; M59-Q184 HydrophobicContact SD-CB 3.79Å; M59-Q184 HydrophobicContact SD-CG 3.72Å; M59-L187 HydrophobicContact CE-CD1 4.37Å; M59-L188 WeakPolarHBondContact O-CD1 3.23Å; M59-L188 HydrophobicContact SD-CD1 4.07Å; M59-L188 HydrophobicContact SD-CG 4.43Å |
| 60 | I | 92.3 | Very high | 91.2 | Very high | 101 Ų | 101 | 55 Ų | 55 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 176 | -65.7 | 169.9 | 0 | 0 | 0 | 110.4 | Y56 N57 L63 | Y56-I60 HydrophobicContact CD2-CD1 3.76Å; Y56-I60 HydrophobicContact CE2-CD1 4.05Å; Y56-I60 WeakPolarHBondContact O-CG1 3.48Å; Y56-I60 PolarHBondContact O-N 3.48Å; N57-I60 PolarHBondContact O-N 3.31Å; I60-L63 VanDerWaalsContact O-CB 3.29Å; I60-L63 WeakPolarHBondContact O-CB 3.34Å; I60-L63 PolarHBondContact O-N 3.26Å |
| 61 | Q | 92.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 175.9 | -69.9 | -179.6 | -7.4 | 0 | 0 | 111.7 | N57 D58 M59 L63 I64 P65 Y166 I170 | N57-Q61 WeakPolarHBondContact O-CG 3.27Å; N57-Q61 PolarHBondContact O-N 3.09Å; D58-Q61 PolarHBondContact O-N 3.47Å; M59-Q61 VanDerWaalsContact C-N 3.31Å; M59-Q61 PolarHBondContact O-N 3.23Å; Q61-L63 VanDerWaalsContact C-N 3.28Å; Q61-L63 PolarHBondContact O-N 3.44Å; Q61-I64 PolarHBondContact O-N 3.36Å; Q61-P65 WeakPolarHBondContact O-CD 3.48Å; Q61-Y166 WeakPolarHBondContact O-CE1 3.3Å; Q61-I170 HydrophobicContact CB-CD1 3.74Å; Q61-I170 HydrophobicContact CB-CG1 4.16Å |
| 62 | I | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.5 | -21.5 | 179.1 | -68.5 | 169 | 0 | 0 | 0 | 112.6 | D58 M59 I64 P65 S66 I170 Q184 L185 L188 | D58-I62 WeakPolarHBondContact O-CB 3.4Å; D58-I62 WeakPolarHBondContact O-CG1 3.21Å; D58-I62 PolarHBondContact O-N 2.94Å; M59-I62 PolarHBondContact O-N 2.83Å; I62-I64 PolarHBondContact O-N 3Å; I62-P65 WeakPolarHBondContact O-CD 3.17Å; I62-P65 VanDerWaalsContact O-CG 3.28Å; I62-P65 WeakPolarHBondContact O-CG 3.29Å; I62-S66 VanDerWaalsContact O-CB 3.23Å; I62-S66 WeakPolarHBondContact O-CB 3.49Å; I62-S66 PolarHBondContact O-N 3.48Å; I62-I170 HydrophobicContact CG1-CD1 4.27Å; I62-I170 HydrophobicContact CG1-CG2 4.46Å; I62-Q184 HydrophobicContact CD1-CB 3.97Å; I62-Q184 HydrophobicContact CD1-CG 4.38Å; I62-Q184 HydrophobicContact CG2-CB 4.19Å; I62-L185 HydrophobicContact CG2-CD2 3.66Å; I62-L185 HydrophobicContact CG2-CG 3.98Å; I62-L188 HydrophobicContact CB-CD1 4.33Å; I62-L188 HydrophobicContact CG2-CD1 4.1Å |
| 63 | L | 95.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.7 | -39.6 | 174.3 | -175.2 | 66.4 | 0 | 0 | 0 | 112.3 | M59 I60 Q61 T67 L188 I192 | M59-L63 PolarHBondContact O-N 3.49Å; I60-L63 VanDerWaalsContact O-CB 3.29Å; I60-L63 WeakPolarHBondContact O-CB 3.34Å; I60-L63 PolarHBondContact O-N 3.26Å; Q61-L63 VanDerWaalsContact C-N 3.28Å; Q61-L63 PolarHBondContact O-N 3.44Å; L63-T67 WeakPolarHBondContact O-CB 3.48Å; L63-T67 PolarHBondContact O-N 2.95Å; L63-T67 PolarHBondContact O-OG1 3.14Å; L63-L188 HydrophobicContact CB-CD1 4.13Å; L63-L188 HydrophobicContact CD1-CB 4.38Å; L63-L188 HydrophobicContact CD1-CD1 4.29Å; L63-L188 HydrophobicContact CD1-CD2 4.2Å; L63-I192 HydrophobicContact CD1-CD1 3.57Å |
| 64 | I | 94.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 50 Ų | 50 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -59.8 | 179.8 | -61.2 | 168.4 | 0 | 0 | 0 | 111.4 | Q61 I62 S66 T67 L68 F162 Y166 | Q61-I64 PolarHBondContact O-N 3.36Å; I62-I64 PolarHBondContact O-N 3Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.27Å; I64-T67 PolarHBondContact O-N 2.99Å; I64-L68 HydrophobicContact CG2-CD1 4.18Å; I64-L68 WeakPolarHBondContact O-CG 3.37Å; I64-L68 PolarHBondContact O-N 2.98Å; I64-F162 HydrophobicContact CG2-CE1 4.29Å; I64-Y166 HydrophobicContact CB-CE1 4.18Å; I64-Y166 HydrophobicContact CD1-CE1 4.27Å; I64-Y166 HydrophobicContact CG2-CE1 4.42Å |
| 65 | P | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 178.5 | 25.7 | -33.4 | 0 | 0 | 0 | 111.8 | Q61 I62 T67 L68 Y69 A163 Y166 L167 I170 | Q61-P65 WeakPolarHBondContact O-CD 3.48Å; I62-P65 WeakPolarHBondContact O-CD 3.17Å; I62-P65 VanDerWaalsContact O-CG 3.28Å; I62-P65 WeakPolarHBondContact O-CG 3.29Å; P65-T67 PolarHBondContact O-N 3.4Å; P65-L68 PolarHBondContact O-N 2.93Å; P65-Y69 HydrophobicContact CB-CD2 4.3Å; P65-Y69 HydrophobicContact CB-CE2 4.12Å; P65-Y69 WeakPolarHBondContact O-CB 3.49Å; P65-Y69 WeakPolarHBondContact O-CD2 3.43Å; P65-Y69 PolarHBondContact O-N 3.36Å; P65-A163 HydrophobicContact CB-CB 4.18Å; P65-Y166 HydrophobicContact CG-CD1 4.12Å; P65-L167 HydrophobicContact CB-CB 4.37Å; P65-L167 HydrophobicContact CB-CD1 4.46Å; P65-L167 HydrophobicContact CG-CD1 4.07Å; P65-I170 HydrophobicContact CG-CD1 4.46Å |
| 66 | S | 95 | Very high | 93 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | I62 I64 L68 Y69 I70 L185 G189 | I62-S66 VanDerWaalsContact O-CB 3.23Å; I62-S66 WeakPolarHBondContact O-CB 3.49Å; I62-S66 PolarHBondContact O-N 3.48Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.27Å; S66-L68 PolarHBondContact O-N 3.16Å; S66-Y69 PolarHBondContact O-N 3.41Å; S66-I70 WeakPolarHBondContact O-CG1 3.44Å; S66-I70 PolarHBondContact O-N 3.11Å; S66-L185 PolarHBondContact OG-O 2.75Å; S66-L185 VanDerWaalsContact OG-O 3.05Å; S66-G189 VanDerWaalsContact OG-CA 3.25Å; S66-G189 WeakPolarHBondContact OG-CA 3.35Å; S66-G189 PolarHBondContact OG-N 2.83Å; S66-G189 VanDerWaalsContact OG-N 3.08Å |
| 67 | T | 96 | Very high | 93.1 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 31% | 0.307 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | L63 I64 P65 Y69 I70 V71 I192 | L63-T67 WeakPolarHBondContact O-CB 3.48Å; L63-T67 PolarHBondContact O-N 2.95Å; L63-T67 PolarHBondContact O-OG1 3.14Å; I64-T67 PolarHBondContact O-N 2.99Å; P65-T67 PolarHBondContact O-N 3.4Å; T67-Y69 VanDerWaalsContact C-N 3.32Å; T67-Y69 PolarHBondContact O-N 3.03Å; T67-I70 PolarHBondContact O-N 3.19Å; T67-V71 WeakPolarHBondContact O-CG2 3.28Å; T67-V71 PolarHBondContact O-N 3.47Å; T67-I192 HydrophobicContact CG2-CG2 4.24Å; T67-I192 VanDerWaalsContact OG1-CD1 3.27Å; T67-I192 WeakPolarHBondContact OG1-CD1 3.42Å |
| 68 | L | 95.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | 178.5 | -69.5 | 176.1 | 0 | 0 | 0 | 112.3 | I64 P65 S66 V71 Q72 T159 F162 A163 | I64-L68 HydrophobicContact CG2-CD1 4.18Å; I64-L68 WeakPolarHBondContact O-CG 3.37Å; I64-L68 PolarHBondContact O-N 2.98Å; P65-L68 PolarHBondContact O-N 2.93Å; S66-L68 PolarHBondContact O-N 3.16Å; L68-V71 PolarHBondContact O-N 3.34Å; L68-Q72 WeakPolarHBondContact O-CB 3.37Å; L68-Q72 PolarHBondContact O-N 2.96Å; L68-T159 HydrophobicContact CD2-CG2 4.14Å; L68-F162 HydrophobicContact CD1-CD1 3.43Å; L68-F162 VanDerWaalsContact CD1-CD1 3.43Å; L68-F162 HydrophobicContact CD1-CE1 3.78Å; L68-A163 HydrophobicContact CB-CB 3.82Å; L68-A163 HydrophobicContact CD1-CB 4.17Å |
| 69 | Y | 94.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 20% | 0.2 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 173.8 | -78.8 | -55.5 | 0 | 0 | 0 | 112.5 | P65 S66 T67 Q72 N73 A163 G164 L167 L185 | P65-Y69 HydrophobicContact CB-CD2 4.3Å; P65-Y69 HydrophobicContact CB-CE2 4.12Å; P65-Y69 WeakPolarHBondContact O-CB 3.49Å; P65-Y69 WeakPolarHBondContact O-CD2 3.43Å; P65-Y69 PolarHBondContact O-N 3.36Å; S66-Y69 PolarHBondContact O-N 3.41Å; T67-Y69 VanDerWaalsContact C-N 3.32Å; T67-Y69 PolarHBondContact O-N 3.03Å; Y69-Q72 VanDerWaalsContact CD1-CD 3.49Å; Y69-Q72 HydrophobicContact CD1-CG 4.5Å; Y69-Q72 WeakPolarHBondContact O-CG 3.27Å; Y69-N73 VanDerWaalsContact O-CB 3.29Å; Y69-N73 WeakPolarHBondContact O-CB 3.27Å; Y69-N73 PolarHBondContact O-N 3.33Å; Y69-N73 VanDerWaalsContact O-N 3.12Å; Y69-N73 PolarHBondContact O-ND2 2.87Å; Y69-N73 VanDerWaalsContact O-ND2 3.08Å; Y69-A163 HydrophobicContact CD1-CB 4.5Å; Y69-A163 HydrophobicContact CD2-CB 4.42Å; Y69-A163 HydrophobicContact CE1-CB 4.2Å; Y69-A163 HydrophobicContact CE2-CB 4.13Å; Y69-G164 VanDerWaalsContact OH-CA 3.23Å; Y69-G164 WeakPolarHBondContact OH-CA 3.39Å; Y69-G164 PolarHBondContact OH-N 2.64Å; Y69-L167 HydrophobicContact CE2-CD2 4.24Å; Y69-L185 HydrophobicContact CD2-CD2 4.31Å |
| 70 | I | 94.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -47.5 | 172.8 | -62.1 | -59.7 | 0 | 0 | 0 | 110.8 | V19 E23 S66 T67 N73 N74 G189 I192 | V19-I70 HydrophobicContact CG1-CD1 3.86Å; E23-I70 HydrophobicContact CG-CD1 3.68Å; S66-I70 WeakPolarHBondContact O-CG1 3.44Å; S66-I70 PolarHBondContact O-N 3.11Å; T67-I70 PolarHBondContact O-N 3.19Å; I70-N73 PolarHBondContact O-N 3.41Å; I70-N74 PolarHBondContact O-N 3.21Å; I70-N74 VanDerWaalsContact O-N 3.14Å; I70-N74 PolarHBondContact O-ND2 2.9Å; I70-G189 WeakPolarHBondContact CD1-O 3.38Å; I70-I192 HydrophobicContact CB-CG2 4.23Å; I70-I192 HydrophobicContact CG1-CB 4.42Å; I70-I192 HydrophobicContact CG1-CG2 4.12Å; I70-I192 HydrophobicContact CG2-CG2 4.29Å |
| 71 | V | 94.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -49 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | T67 L68 N73 N74 L75 | T67-V71 WeakPolarHBondContact O-CG2 3.28Å; T67-V71 PolarHBondContact O-N 3.47Å; L68-V71 PolarHBondContact O-N 3.34Å; V71-N73 VanDerWaalsContact C-N 3.27Å; V71-N73 PolarHBondContact O-N 3.09Å; V71-N74 PolarHBondContact O-N 3.3Å; V71-L75 HydrophobicContact CG1-CD1 3.91Å; V71-L75 HydrophobicContact CG1-CG 4.33Å; V71-L75 WeakPolarHBondContact O-CG 3.4Å; V71-L75 PolarHBondContact O-N 3.26Å |
| 72 | Q | 94.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 178.7 | 87.9 | -179.8 | 39.7 | 0 | 0 | 110.2 | L68 Y69 N74 L75 L76 A156 S160 | L68-Q72 WeakPolarHBondContact O-CB 3.37Å; L68-Q72 PolarHBondContact O-N 2.96Å; Y69-Q72 VanDerWaalsContact CD1-CD 3.49Å; Y69-Q72 HydrophobicContact CD1-CG 4.5Å; Y69-Q72 WeakPolarHBondContact O-CG 3.27Å; Q72-N74 VanDerWaalsContact C-N 3.34Å; Q72-N74 PolarHBondContact O-N 3.16Å; Q72-L75 CarbonylContact O-C 3.4Å; Q72-L75 PolarHBondContact O-N 2.95Å; Q72-L76 VanDerWaalsContact O-CG 3.26Å; Q72-L76 WeakPolarHBondContact O-CG 3.42Å; Q72-L76 PolarHBondContact O-N 3Å; Q72-A156 HydrophobicContact CB-CB 4.38Å; Q72-S160 PolarHBondContact NE2-OG 3.12Å; Q72-S160 PolarHBondContact OE1-OG 3.42Å |
| 73 | N | 92.9 | Very high | 92 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -42.2 | -174.7 | -76.5 | -20.8 | 0 | 0 | 0 | 109.9 | V19 Y69 I70 V71 L76 Y77 | V19-N73 HydrophobicContact CG1-CB 4.03Å; V19-N73 HydrophobicContact CG2-CB 3.72Å; Y69-N73 VanDerWaalsContact O-CB 3.29Å; Y69-N73 WeakPolarHBondContact O-CB 3.27Å; Y69-N73 PolarHBondContact O-N 3.33Å; Y69-N73 VanDerWaalsContact O-N 3.12Å; Y69-N73 PolarHBondContact O-ND2 2.87Å; Y69-N73 VanDerWaalsContact O-ND2 3.08Å; I70-N73 PolarHBondContact O-N 3.41Å; V71-N73 VanDerWaalsContact C-N 3.27Å; V71-N73 PolarHBondContact O-N 3.09Å; N73-L76 PolarHBondContact O-N 3.03Å; N73-Y77 WeakPolarHBondContact O-CD2 3.25Å; N73-Y77 PolarHBondContact O-N 3.44Å |
| 74 | N | 92.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 19% | 0.193 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 173.2 | -75.5 | -72.7 | 0 | 0 | 0 | 112.2 | S16 I70 V71 Q72 L76 Y77 F78 | S16-N74 VanDerWaalsContact CA-OD1 3.28Å; S16-N74 WeakPolarHBondContact CA-OD1 3.33Å; S16-N74 WeakPolarHBondContact CB-OD1 3.21Å; I70-N74 PolarHBondContact O-N 3.21Å; I70-N74 VanDerWaalsContact O-N 3.14Å; I70-N74 PolarHBondContact O-ND2 2.9Å; V71-N74 PolarHBondContact O-N 3.3Å; Q72-N74 VanDerWaalsContact C-N 3.34Å; Q72-N74 PolarHBondContact O-N 3.16Å; N74-L76 VanDerWaalsContact C-N 3.32Å; N74-L76 PolarHBondContact O-N 2.84Å; N74-Y77 PolarHBondContact O-N 3.22Å; N74-F78 WeakPolarHBondContact O-CB 3.24Å; N74-F78 PolarHBondContact O-N 2.85Å |
| 75 | L | 93.2 | Very high | 90.9 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -36.9 | 174.9 | -71.7 | 173.7 | 0 | 0 | 0 | 112.4 | V71 Q72 F78 A79 A152 L155 A156 | V71-L75 HydrophobicContact CG1-CD1 3.91Å; V71-L75 HydrophobicContact CG1-CG 4.33Å; V71-L75 WeakPolarHBondContact O-CG 3.4Å; V71-L75 PolarHBondContact O-N 3.26Å; Q72-L75 CarbonylContact O-C 3.4Å; Q72-L75 PolarHBondContact O-N 2.95Å; L75-F78 PolarHBondContact O-N 3.43Å; L75-A79 WeakPolarHBondContact O-CB 3.43Å; L75-A79 PolarHBondContact O-N 3.41Å; L75-A152 HydrophobicContact CD2-CB 4.31Å; L75-L155 HydrophobicContact CD1-CB 4.04Å; L75-A156 HydrophobicContact CB-CB 3.8Å; L75-A156 HydrophobicContact CD1-CB 4.4Å |
| 76 | L | 92.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -43.3 | 175.6 | -69.3 | 174.5 | 0 | 0 | 0 | 111.4 | Q72 N73 N74 F78 A79 I80 Y88 Y92 I153 A156 | Q72-L76 VanDerWaalsContact O-CG 3.26Å; Q72-L76 WeakPolarHBondContact O-CG 3.42Å; Q72-L76 PolarHBondContact O-N 3Å; N73-L76 PolarHBondContact O-N 3.03Å; N74-L76 VanDerWaalsContact C-N 3.32Å; N74-L76 PolarHBondContact O-N 2.84Å; L76-F78 VanDerWaalsContact C-N 3.31Å; L76-F78 PolarHBondContact O-N 3.23Å; L76-A79 PolarHBondContact O-N 2.93Å; L76-I80 VanDerWaalsContact O-CG1 3.31Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 3.4Å; L76-Y88 HydrophobicContact CB-CE2 4.46Å; L76-Y88 HydrophobicContact CD2-CE2 4.04Å; L76-Y92 HydrophobicContact CD1-CD2 4.45Å; L76-Y92 HydrophobicContact CD1-CE2 3.66Å; L76-Y92 HydrophobicContact CD2-CD2 3.54Å; L76-Y92 HydrophobicContact CD2-CE2 3.55Å; L76-Y92 HydrophobicContact CG-CE2 4.26Å; L76-I153 HydrophobicContact CD2-CG1 4.13Å; L76-A156 HydrophobicContact CD2-CB 3.6Å; L76-A156 HydrophobicContact CG-CB 3.86Å |
| 77 | Y | 90.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 14% | 0.137 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 173.2 | -81.8 | -70.4 | 0 | 0 | 0 | 112 | A15 V18 V19 N73 N74 A79 I80 S81 Q225 | A15-Y77 HydrophobicContact CB-CD1 4.04Å; A15-Y77 HydrophobicContact CB-CD2 3.94Å; A15-Y77 HydrophobicContact CB-CG 3.53Å; V18-Y77 HydrophobicContact CG1-CE2 4.47Å; V18-Y77 WeakPolarHBondContact CG1-OH 3.24Å; V19-Y77 HydrophobicContact CG2-CD2 3.76Å; V19-Y77 HydrophobicContact CG2-CE2 3.53Å; N73-Y77 WeakPolarHBondContact O-CD2 3.25Å; N73-Y77 PolarHBondContact O-N 3.44Å; N74-Y77 PolarHBondContact O-N 3.22Å; Y77-A79 VanDerWaalsContact C-N 3.33Å; Y77-I80 PolarHBondContact O-N 2.78Å; Y77-S81 PolarHBondContact O-N 3.49Å; Y77-Q225 PolarHBondContact OH-OE1 3.31Å |
| 78 | F | 89.6 | Confident | 89.5 | Confident | 91 Ų | 91 | 40.4 Ų | 40.4 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 174.3 | -175.9 | -87.9 | 0 | 0 | 0 | 112.1 | N74 L75 L76 S81 H82 A152 | N74-F78 WeakPolarHBondContact O-CB 3.24Å; N74-F78 PolarHBondContact O-N 2.85Å; L75-F78 PolarHBondContact O-N 3.43Å; L76-F78 VanDerWaalsContact C-N 3.31Å; L76-F78 PolarHBondContact O-N 3.23Å; F78-S81 PolarHBondContact O-N 3.46Å; F78-S81 PolarHBondContact O-OG 2.87Å; F78-H82 AromaticContact CD1-ND1 3.92Å; F78-H82 AromaticContact CD2-CE1 3.87Å; F78-H82 AromaticContact CE1-CE1 3.72Å; F78-H82 AromaticContact CE1-ND1 3.72Å; F78-H82 AromaticContact CE2-CE1 3.35Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.3Å; F78-H82 AromaticContact CZ-CE1 3.27Å; F78-H82 WeakPolarHBondContact CZ-CE1 3.33Å; F78-H82 AromaticContact CZ-ND1 3.77Å; F78-H82 AromaticContact CZ-NE2 3.75Å; F78-H82 PolarHBondContact O-N 3.41Å; F78-H82 PolarHBondContact O-ND1 2.74Å; F78-A152 HydrophobicContact CD1-CB 3.64Å; F78-A152 HydrophobicContact CE1-CB 4.24Å |
| 79 | A | 89.6 | Confident | 89 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L75 L76 Y77 S81 H82 L83 Y88 A152 I153 | L75-A79 WeakPolarHBondContact O-CB 3.43Å; L75-A79 PolarHBondContact O-N 3.41Å; L76-A79 PolarHBondContact O-N 2.93Å; Y77-A79 VanDerWaalsContact C-N 3.33Å; A79-S81 PolarHBondContact O-N 3.33Å; A79-H82 PolarHBondContact O-N 2.8Å; A79-H82 VanDerWaalsContact O-N 3.15Å; A79-L83 HydrophobicContact CB-CD1 4.17Å; A79-L83 VanDerWaalsContact O-CB 3.23Å; A79-L83 WeakPolarHBondContact O-CB 3.49Å; A79-L83 VanDerWaalsContact O-CG 3.29Å; A79-L83 WeakPolarHBondContact O-CG 3.47Å; A79-L83 PolarHBondContact O-N 3.25Å; A79-Y88 HydrophobicContact CB-CD2 4.14Å; A79-Y88 HydrophobicContact CB-CE2 4.24Å; A79-A152 HydrophobicContact CB-CB 4.31Å; A79-I153 HydrophobicContact CB-CB 3.8Å; A79-I153 HydrophobicContact CB-CG1 4.4Å |
| 80 | I | 87.9 | Confident | 88.7 | Confident | 86 Ų | 86 | 41.5 Ų | 41.5 | 44% | 0.441 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.6 | -30.5 | 177.9 | -67.9 | 168.3 | 0 | 0 | 0 | 111.9 | L76 Y77 H82 Y88 | L76-I80 VanDerWaalsContact O-CG1 3.31Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 3.4Å; Y77-I80 PolarHBondContact O-N 2.78Å; I80-H82 VanDerWaalsContact C-N 3.34Å; I80-Y88 HydrophobicContact CB-CD2 4.49Å; I80-Y88 HydrophobicContact CD1-CD2 4.44Å; I80-Y88 HydrophobicContact CD1-CE1 4.1Å; I80-Y88 HydrophobicContact CD1-CE2 3.89Å; I80-Y88 HydrophobicContact CG1-CD1 4.17Å; I80-Y88 HydrophobicContact CG1-CD2 3.45Å; I80-Y88 VanDerWaalsContact CG1-CD2 3.45Å; I80-Y88 HydrophobicContact CG1-CE1 4.03Å; I80-Y88 HydrophobicContact CG1-CE2 3.3Å; I80-Y88 HydrophobicContact CG1-CG 3.91Å |
| 81 | S | 85.8 | Confident | 88.4 | Confident | 88 Ų | 88 | 43 Ų | 43 | 62% | 0.615 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -76.7 | -20.4 | 178 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | Y77 F78 A79 | Y77-S81 PolarHBondContact O-N 3.49Å; F78-S81 PolarHBondContact O-N 3.46Å; F78-S81 PolarHBondContact O-OG 2.87Å; A79-S81 PolarHBondContact O-N 3.33Å |
| 82 | H | 83.4 | Confident | 88.2 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -109.3 | -21.7 | -177.5 | -68.2 | 81.1 | 0 | 0 | 0 | 114.1 | F78 A79 I80 S145 | F78-H82 AromaticContact CD1-ND1 3.92Å; F78-H82 AromaticContact CD2-CE1 3.87Å; F78-H82 AromaticContact CE1-CE1 3.72Å; F78-H82 AromaticContact CE1-ND1 3.72Å; F78-H82 AromaticContact CE2-CE1 3.35Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.3Å; F78-H82 AromaticContact CZ-CE1 3.27Å; F78-H82 WeakPolarHBondContact CZ-CE1 3.33Å; F78-H82 AromaticContact CZ-ND1 3.77Å; F78-H82 AromaticContact CZ-NE2 3.75Å; F78-H82 PolarHBondContact O-N 3.41Å; F78-H82 PolarHBondContact O-ND1 2.74Å; A79-H82 PolarHBondContact O-N 2.8Å; A79-H82 VanDerWaalsContact O-N 3.15Å; I80-H82 VanDerWaalsContact C-N 3.34Å; H82-S145 WeakPolarHBondContact CB-O 3.42Å; H82-S145 PolarHBondContact CD2-OG 2.96Å |
| 83 | L | 84.6 | Confident | 87.9 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -104.9 | 147.7 | 179.4 | -58.6 | -179.4 | 0 | 0 | 0 | 110.7 | A79 L91 N146 I153 | A79-L83 HydrophobicContact CB-CD1 4.17Å; A79-L83 VanDerWaalsContact O-CB 3.23Å; A79-L83 WeakPolarHBondContact O-CB 3.49Å; A79-L83 VanDerWaalsContact O-CG 3.29Å; A79-L83 WeakPolarHBondContact O-CG 3.47Å; A79-L83 PolarHBondContact O-N 3.25Å; L83-L91 HydrophobicContact CD1-CD1 3.99Å; L83-N146 WeakPolarHBondContact CD2-OD1 3.25Å; L83-I153 HydrophobicContact CD1-CB 4.28Å; L83-I153 HydrophobicContact CD1-CD1 4.24Å; L83-I153 HydrophobicContact CD1-CG2 3.93Å |
| 84 | N | 84.1 | Confident | 87.6 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | trans | -67.4 | 155.8 | 164.7 | 74.4 | 3.1 | 0 | 0 | 0 | 109.9 | V86 L87 Y88 S137 | N84-V86 PolarHBondContact O-N 3Å; N84-V86 VanDerWaalsContact O-N 3.1Å; N84-L87 PolarHBondContact O-N 2.93Å; N84-L87 WeakPolarHBondContact OD1-CA 3.33Å; N84-L87 WeakPolarHBondContact OD1-CB 3.22Å; N84-L87 WeakPolarHBondContact OD1-CG 3.36Å; N84-L87 PolarHBondContact OD1-N 3.24Å; N84-Y88 WeakPolarHBondContact O-CB 3.35Å; N84-Y88 PolarHBondContact O-N 3.41Å; N84-S137 WeakPolarHBondContact ND2-CB 3.18Å; N84-S137 PolarHBondContact ND2-OG 3.47Å | ||
| 85 | A | 83.7 | Confident | 87.6 | Confident | 66 Ų | 66 | 44.2 Ų | 44.2 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.6 | -29 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q89 | A85-Q89 WeakPolarHBondContact O-CB 3.4Å; A85-Q89 PolarHBondContact O-N 3.47Å |
| 86 | V | 84.6 | Confident | 87.5 | Confident | 21 Ų | 21 | 45 Ų | 45 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.5 | -53.2 | -178 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | N84 Y88 Q89 I90 Q130 S133 L134 | N84-V86 PolarHBondContact O-N 3Å; N84-V86 VanDerWaalsContact O-N 3.1Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.43Å; V86-Q89 PolarHBondContact O-N 3.12Å; V86-I90 HydrophobicContact CG1-CD1 4.35Å; V86-I90 WeakPolarHBondContact O-CG1 3.47Å; V86-I90 PolarHBondContact O-N 2.85Å; V86-I90 VanDerWaalsContact O-N 3.07Å; V86-Q130 HydrophobicContact CG1-CB 3.9Å; V86-S133 VanDerWaalsContact CG2-CB 3.42Å; V86-L134 HydrophobicContact CG1-CD1 3.43Å; V86-L134 VanDerWaalsContact CG1-CD1 3.43Å; V86-L134 HydrophobicContact CG1-CG 4.14Å |
| 87 | L | 84.5 | Confident | 87.4 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 176.1 | -67.8 | 174.2 | 0 | 0 | 0 | 110.6 | N84 Q89 I90 L91 L134 | N84-L87 PolarHBondContact O-N 2.93Å; N84-L87 WeakPolarHBondContact OD1-CA 3.33Å; N84-L87 WeakPolarHBondContact OD1-CB 3.22Å; N84-L87 WeakPolarHBondContact OD1-CG 3.36Å; N84-L87 PolarHBondContact OD1-N 3.24Å; L87-Q89 VanDerWaalsContact C-N 3.34Å; L87-Q89 PolarHBondContact O-N 3.41Å; L87-I90 PolarHBondContact O-N 2.93Å; L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 2.97Å; L87-L134 HydrophobicContact CD2-CD2 4.08Å |
| 88 | Y | 86.9 | Confident | 87.5 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 13% | 0.129 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.7 | -49.3 | 172.8 | 174 | -91.1 | 0 | 0 | 0 | 111.4 | L76 A79 I80 N84 V86 I90 L91 Y92 I153 | L76-Y88 HydrophobicContact CB-CE2 4.46Å; L76-Y88 HydrophobicContact CD2-CE2 4.04Å; A79-Y88 HydrophobicContact CB-CD2 4.14Å; A79-Y88 HydrophobicContact CB-CE2 4.24Å; I80-Y88 HydrophobicContact CB-CD2 4.49Å; I80-Y88 HydrophobicContact CD1-CD2 4.44Å; I80-Y88 HydrophobicContact CD1-CE1 4.1Å; I80-Y88 HydrophobicContact CD1-CE2 3.89Å; I80-Y88 HydrophobicContact CG1-CD1 4.17Å; I80-Y88 HydrophobicContact CG1-CD2 3.45Å; I80-Y88 VanDerWaalsContact CG1-CD2 3.45Å; I80-Y88 HydrophobicContact CG1-CE1 4.03Å; I80-Y88 HydrophobicContact CG1-CE2 3.3Å; I80-Y88 HydrophobicContact CG1-CG 3.91Å; N84-Y88 WeakPolarHBondContact O-CB 3.35Å; N84-Y88 PolarHBondContact O-N 3.41Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 3.43Å; Y88-I90 PolarHBondContact O-N 3.48Å; Y88-L91 PolarHBondContact O-N 2.89Å; Y88-Y92 VanDerWaalsContact O-CB 3.23Å; Y88-Y92 WeakPolarHBondContact O-CB 3.33Å; Y88-Y92 PolarHBondContact O-N 3.27Å; Y88-I153 HydrophobicContact CD2-CD1 3.35Å; Y88-I153 HydrophobicContact CD2-CG1 4.45Å; Y88-I153 HydrophobicContact CE2-CD1 3.6Å; Y88-I153 HydrophobicContact CE2-CG1 4.37Å; Y88-I153 HydrophobicContact CG-CD1 3.97Å; Y88-I153 WeakPolarHBondContact O-CD1 3.23Å |
| 89 | Q | 85.8 | Confident | 87.6 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -42.9 | -178.3 | -171.8 | 64.5 | 31.9 | 0 | 0 | 112.4 | A85 V86 L87 Q93 | A85-Q89 WeakPolarHBondContact O-CB 3.4Å; A85-Q89 PolarHBondContact O-N 3.47Å; V86-Q89 PolarHBondContact O-N 3.12Å; L87-Q89 VanDerWaalsContact C-N 3.34Å; L87-Q89 PolarHBondContact O-N 3.41Å; Q89-Q93 PolarHBondContact O-N 3.28Å |
| 90 | I | 86.6 | Confident | 87.7 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 177.7 | -66.8 | 170.9 | 0 | 0 | 0 | 110.6 | V86 L87 Y88 Q93 I127 Q130 L134 | V86-I90 HydrophobicContact CG1-CD1 4.35Å; V86-I90 WeakPolarHBondContact O-CG1 3.47Å; V86-I90 PolarHBondContact O-N 2.85Å; V86-I90 VanDerWaalsContact O-N 3.07Å; L87-I90 PolarHBondContact O-N 2.93Å; Y88-I90 PolarHBondContact O-N 3.48Å; I90-Q93 VanDerWaalsContact O-CB 3.25Å; I90-Q93 WeakPolarHBondContact O-CB 3.45Å; I90-Q93 PolarHBondContact O-N 2.92Å; I90-I127 HydrophobicContact CG2-CG1 3.95Å; I90-Q130 HydrophobicContact CD1-CB 3.75Å; I90-Q130 HydrophobicContact CG1-CB 3.88Å; I90-Q130 HydrophobicContact CG1-CG 4.18Å; I90-L134 HydrophobicContact CD1-CD1 3.6Å |
| 91 | L | 88.2 | Confident | 87.9 | Confident | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.3 | -32.3 | -178.8 | -70.1 | 172.1 | 0 | 0 | 0 | 111.7 | L83 L87 Y88 Q93 S94 L150 I153 | L83-L91 HydrophobicContact CD1-CD1 3.99Å; L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 2.97Å; Y88-L91 PolarHBondContact O-N 2.89Å; L91-Q93 PolarHBondContact O-N 3.08Å; L91-S94 WeakPolarHBondContact O-CB 3.12Å; L91-S94 PolarHBondContact O-N 3.32Å; L91-S94 VanDerWaalsContact O-N 3.09Å; L91-S94 PolarHBondContact O-OG 3.31Å; L91-L150 HydrophobicContact CD1-CB 4.4Å; L91-L150 HydrophobicContact CD1-CD1 4.26Å; L91-L150 HydrophobicContact CD1-CG 4.15Å; L91-I153 HydrophobicContact CB-CD1 3.87Å; L91-I153 HydrophobicContact CB-CG1 4.39Å; L91-I153 HydrophobicContact CB-CG2 3.62Å; L91-I153 HydrophobicContact CD1-CG2 3.86Å; L91-I153 HydrophobicContact CG-CG2 4.32Å |
| 92 | Y | 89.8 | Confident | 88.3 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -29.6 | 174.9 | -169.8 | -116.3 | 0 | 0 | 0 | 112.2 | L76 Y88 S94 K95 | L76-Y92 HydrophobicContact CD1-CD2 4.45Å; L76-Y92 HydrophobicContact CD1-CE2 3.66Å; L76-Y92 HydrophobicContact CD2-CD2 3.54Å; L76-Y92 HydrophobicContact CD2-CE2 3.55Å; L76-Y92 HydrophobicContact CG-CE2 4.26Å; Y88-Y92 VanDerWaalsContact O-CB 3.23Å; Y88-Y92 WeakPolarHBondContact O-CB 3.33Å; Y88-Y92 PolarHBondContact O-N 3.27Å; Y92-S94 PolarHBondContact O-N 3.46Å; Y92-S94 VanDerWaalsContact O-N 3.16Å; Y92-K95 HydrophobicContact CE1-CD 4.32Å; Y92-K95 HydrophobicContact CE2-CD 3.95Å; Y92-K95 WeakPolarHBondContact O-CB 3.3Å; Y92-K95 PolarHBondContact O-N 2.78Å; Y92-K95 WeakPolarHBondContact OH-CD 3.45Å; Y92-K95 PolarHBondContact OH-NZ 2.69Å |
| 93 | Q | 89.2 | Confident | 88.7 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.9 | 175.2 | -175.7 | 52 | 42.7 | 0 | 0 | 113 | Q89 I90 L91 K95 I96 I126 | Q89-Q93 PolarHBondContact O-N 3.28Å; I90-Q93 VanDerWaalsContact O-CB 3.25Å; I90-Q93 WeakPolarHBondContact O-CB 3.45Å; I90-Q93 PolarHBondContact O-N 2.92Å; L91-Q93 PolarHBondContact O-N 3.08Å; Q93-K95 PolarHBondContact O-N 2.9Å; Q93-K95 VanDerWaalsContact O-N 3.08Å; Q93-I96 PolarHBondContact O-N 3.34Å; Q93-I126 VanDerWaalsContact CD-CD1 3.48Å; Q93-I126 HydrophobicContact CG-CD1 3.93Å |
| 94 | S | 87.8 | Confident | 89 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.5 | -26.1 | 170.4 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | L91 Y92 I96 F97 T98 S157 | L91-S94 WeakPolarHBondContact O-CB 3.12Å; L91-S94 PolarHBondContact O-N 3.32Å; L91-S94 VanDerWaalsContact O-N 3.09Å; L91-S94 PolarHBondContact O-OG 3.31Å; Y92-S94 PolarHBondContact O-N 3.46Å; Y92-S94 VanDerWaalsContact O-N 3.16Å; S94-I96 PolarHBondContact O-N 2.9Å; S94-F97 WeakPolarHBondContact O-CB 3.39Å; S94-F97 PolarHBondContact O-N 2.93Å; S94-F97 VanDerWaalsContact O-N 3.07Å; S94-T98 PolarHBondContact O-N 3.24Å; S94-S157 VanDerWaalsContact OG-CB 3.25Å; S94-S157 WeakPolarHBondContact OG-CB 3.23Å; S94-S157 PolarHBondContact OG-OG 3.37Å |
| 95 | K | 91.9 | Very high | 89.4 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 22% | 0.222 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.1 | -35.1 | 174.7 | 178.1 | 178.9 | 164.2 | 169.4 | 0 | 113 | Y92 Q93 F97 T98 T99 S160 | Y92-K95 HydrophobicContact CE1-CD 4.32Å; Y92-K95 HydrophobicContact CE2-CD 3.95Å; Y92-K95 WeakPolarHBondContact O-CB 3.3Å; Y92-K95 PolarHBondContact O-N 2.78Å; Y92-K95 WeakPolarHBondContact OH-CD 3.45Å; Y92-K95 PolarHBondContact OH-NZ 2.69Å; Q93-K95 PolarHBondContact O-N 2.9Å; Q93-K95 VanDerWaalsContact O-N 3.08Å; K95-F97 VanDerWaalsContact C-N 3.33Å; K95-T98 VanDerWaalsContact CA-OG1 3.3Å; K95-T98 WeakPolarHBondContact CA-OG1 3.45Å; K95-T98 PolarHBondContact O-N 2.73Å; K95-T98 PolarHBondContact O-OG1 3.46Å; K95-T99 WeakPolarHBondContact O-CB 3.2Å; K95-T99 PolarHBondContact O-N 2.95Å; K95-T99 PolarHBondContact O-OG1 3.07Å; K95-S160 WeakPolarHBondContact CE-OG 3.42Å; K95-S160 PolarHBondContact NZ-OG 3.23Å |
| 96 | I | 91.1 | Very high | 89.6 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.9 | -38.4 | -179.7 | -51.5 | -158.8 | 0 | 0 | 0 | 109.6 | Q93 S94 A100 L119 L122 | Q93-I96 PolarHBondContact O-N 3.34Å; S94-I96 PolarHBondContact O-N 2.9Å; I96-A100 WeakPolarHBondContact O-CB 3.08Å; I96-A100 PolarHBondContact O-N 2.9Å; I96-L119 HydrophobicContact CG2-CD2 3.45Å; I96-L119 VanDerWaalsContact CG2-CD2 3.45Å; I96-L122 HydrophobicContact CD1-CD2 4.21Å |
| 97 | F | 90.6 | Very high | 89.7 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 25% | 0.254 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -43.3 | 173.5 | -71 | -82.6 | 0 | 0 | 0 | 112.4 | S94 K95 A100 M101 L119 L120 | S94-F97 WeakPolarHBondContact O-CB 3.39Å; S94-F97 PolarHBondContact O-N 2.93Å; S94-F97 VanDerWaalsContact O-N 3.07Å; K95-F97 VanDerWaalsContact C-N 3.33Å; F97-A100 PolarHBondContact O-N 3.15Å; F97-M101 WeakPolarHBondContact O-CB 3.48Å; F97-M101 WeakPolarHBondContact O-CG 3.23Å; F97-M101 PolarHBondContact O-N 2.88Å; F97-L119 HydrophobicContact CE1-CB 4.47Å; F97-L120 HydrophobicContact CE1-CD2 4.07Å; F97-L120 HydrophobicContact CZ-CD2 4.13Å |
| 98 | T | 91.8 | Very high | 89.7 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 14% | 0.135 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | S94 K95 A100 M101 F102 S157 V158 | S94-T98 PolarHBondContact O-N 3.24Å; K95-T98 VanDerWaalsContact CA-OG1 3.3Å; K95-T98 WeakPolarHBondContact CA-OG1 3.45Å; K95-T98 PolarHBondContact O-N 2.73Å; K95-T98 PolarHBondContact O-OG1 3.46Å; T98-A100 PolarHBondContact O-N 3.36Å; T98-M101 PolarHBondContact O-N 3.01Å; T98-F102 WeakPolarHBondContact O-CD2 3.22Å; T98-F102 PolarHBondContact O-N 3.09Å; T98-S157 PolarHBondContact OG1-O 3.32Å; T98-V158 HydrophobicContact CG2-CB 4.48Å; T98-V158 HydrophobicContact CG2-CG2 3.77Å |
| 99 | T | 92.5 | Very high | 89.5 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 172.5 | -54 | 0 | 0 | 0 | 0 | 111.1 | K95 M101 F102 M103 G161 V165 | K95-T99 WeakPolarHBondContact O-CB 3.2Å; K95-T99 PolarHBondContact O-N 2.95Å; K95-T99 PolarHBondContact O-OG1 3.07Å; T99-M101 PolarHBondContact O-N 3.36Å; T99-F102 PolarHBondContact O-N 3.16Å; T99-M103 VanDerWaalsContact O-CB 3.31Å; T99-M103 WeakPolarHBondContact O-CB 3.41Å; T99-M103 PolarHBondContact O-N 3.01Å; T99-G161 WeakPolarHBondContact OG1-CA 3Å; T99-V165 HydrophobicContact CG2-CG2 3.88Å; T99-V165 WeakPolarHBondContact O-CG2 3.25Å |
| 100 | A | 91.8 | Very high | 89.2 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I96 F97 T98 M103 I104 L111 L119 | I96-A100 WeakPolarHBondContact O-CB 3.08Å; I96-A100 PolarHBondContact O-N 2.9Å; F97-A100 PolarHBondContact O-N 3.15Å; T98-A100 PolarHBondContact O-N 3.36Å; A100-M103 WeakPolarHBondContact O-CB 3.1Å; A100-M103 PolarHBondContact O-N 2.84Å; A100-I104 WeakPolarHBondContact O-CG1 3.28Å; A100-I104 PolarHBondContact O-N 3.49Å; A100-L111 HydrophobicContact CB-CD1 3.83Å; A100-L119 HydrophobicContact CB-CD1 3.71Å |
| 101 | M | 91.3 | Very high | 88.9 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 47% | 0.473 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 175.2 | -78.7 | -77.9 | 139.3 | 0 | 0 | 111.7 | F97 T98 T99 M103 I104 L105 W116 | F97-M101 WeakPolarHBondContact O-CB 3.48Å; F97-M101 WeakPolarHBondContact O-CG 3.23Å; F97-M101 PolarHBondContact O-N 2.88Å; T98-M101 PolarHBondContact O-N 3.01Å; T99-M101 PolarHBondContact O-N 3.36Å; M101-M103 VanDerWaalsContact C-N 3.3Å; M101-M103 PolarHBondContact O-N 3.08Å; M101-I104 PolarHBondContact O-N 3.33Å; M101-L105 WeakPolarHBondContact O-CG 3.29Å; M101-L105 PolarHBondContact O-N 2.91Å; M101-W116 HydrophobicContact CE-CH2 3.3Å; M101-W116 HydrophobicContact CE-CZ2 3.81Å; M101-W116 HydrophobicContact CE-CZ3 4.32Å |
| 102 | F | 93.6 | Very high | 88.7 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 19% | 0.193 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -31.7 | 177.4 | -75.6 | -60 | 0 | 0 | 0 | 112.8 | T98 T99 I104 L105 L106 V158 F162 V165 | T98-F102 WeakPolarHBondContact O-CD2 3.22Å; T98-F102 PolarHBondContact O-N 3.09Å; T99-F102 PolarHBondContact O-N 3.16Å; F102-I104 VanDerWaalsContact C-N 3.3Å; F102-I104 PolarHBondContact O-N 2.94Å; F102-L105 HydrophobicContact CD1-CD1 4.49Å; F102-L105 PolarHBondContact O-N 3.34Å; F102-L106 HydrophobicContact CB-CD1 4.34Å; F102-L106 HydrophobicContact CD1-CD1 4.31Å; F102-L106 WeakPolarHBondContact O-CB 3.21Å; F102-L106 PolarHBondContact O-N 2.92Å; F102-V158 HydrophobicContact CE2-CG1 4.01Å; F102-V158 WeakPolarHBondContact CE2-O 3.26Å; F102-V158 HydrophobicContact CZ-CG1 4.07Å; F102-F162 HydrophobicContact CD1-CB 4.43Å; F102-F162 AromaticContact CD1-CD2 3.94Å; F102-F162 HydrophobicContact CD1-CD2 3.94Å; F102-F162 HydrophobicContact CD2-CB 3.93Å; F102-F162 VanDerWaalsContact CD2-N 3.3Å; F102-F162 HydrophobicContact CE1-CB 4.29Å; F102-F162 AromaticContact CE1-CD2 3.8Å; F102-F162 HydrophobicContact CE1-CD2 3.8Å; F102-F162 HydrophobicContact CE2-CB 3.76Å; F102-F162 HydrophobicContact CG-CB 4.28Å; F102-F162 HydrophobicContact CG-CD2 4.49Å; F102-F162 HydrophobicContact CZ-CB 3.95Å; F102-F162 HydrophobicContact CZ-CD2 4.24Å; F102-V165 HydrophobicContact CB-CB 4.06Å; F102-V165 HydrophobicContact CB-CG1 4.36Å; F102-V165 HydrophobicContact CB-CG2 3.85Å |
| 103 | M | 91.7 | Very high | 88.5 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 175.3 | -171.8 | -140.3 | -81 | 0 | 0 | 111 | T99 A100 M101 L107 H109 L111 V165 | T99-M103 VanDerWaalsContact O-CB 3.31Å; T99-M103 WeakPolarHBondContact O-CB 3.41Å; T99-M103 PolarHBondContact O-N 3.01Å; A100-M103 WeakPolarHBondContact O-CB 3.1Å; A100-M103 PolarHBondContact O-N 2.84Å; M101-M103 VanDerWaalsContact C-N 3.3Å; M101-M103 PolarHBondContact O-N 3.08Å; M103-L107 HydrophobicContact CG-CD1 4.4Å; M103-L107 WeakPolarHBondContact O-CB 3.41Å; M103-L107 PolarHBondContact O-N 3.29Å; M103-H109 HydrophobicContact CG-CB 3.76Å; M103-H109 PolarHBondContact O-N 2.94Å; M103-H109 HydrophobicContact SD-CB 3.6Å; M103-H109 PolarHBondContact SD-ND1 3.31Å; M103-L111 HydrophobicContact CE-CD2 3.98Å; M103-L111 HydrophobicContact SD-CD2 3.69Å; M103-L111 HydrophobicContact SD-CG 4.2Å; M103-V165 HydrophobicContact CB-CG2 4.2Å |
| 104 | I | 92.1 | Very high | 88.4 | Confident | 53 Ų | 53 | 70 Ų | 70 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 173 | -62.7 | 165.8 | 0 | 0 | 0 | 110.3 | A100 M101 F102 N108 H109 L111 W116 | A100-I104 WeakPolarHBondContact O-CG1 3.28Å; A100-I104 PolarHBondContact O-N 3.49Å; M101-I104 PolarHBondContact O-N 3.33Å; F102-I104 VanDerWaalsContact C-N 3.3Å; F102-I104 PolarHBondContact O-N 2.94Å; I104-N108 WeakPolarHBondContact O-CA 3.43Å; I104-N108 PolarHBondContact O-N 3.48Å; I104-N108 VanDerWaalsContact O-N 3.13Å; I104-H109 WeakPolarHBondContact CG1-O 3.42Å; I104-L111 HydrophobicContact CD1-CD1 4.07Å; I104-L111 HydrophobicContact CD1-CG 4.38Å; I104-L111 HydrophobicContact CG1-CD1 4.33Å; I104-L111 HydrophobicContact CG1-CG 4.32Å; I104-W116 HydrophobicContact CD1-CZ2 3.65Å |
| 105 | L | 91.1 | Very high | 88.4 | Confident | 121 Ų | 121 | 72.3 Ų | 72.3 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.6 | -41.1 | -173.3 | -67.4 | 171.7 | 0 | 0 | 0 | 114.8 | M101 F102 | M101-L105 WeakPolarHBondContact O-CG 3.29Å; M101-L105 PolarHBondContact O-N 2.91Å; F102-L105 HydrophobicContact CD1-CD1 4.49Å; F102-L105 PolarHBondContact O-N 3.34Å |
| 106 | L | 89.1 | Confident | 88.3 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -95.9 | -31.7 | -171.8 | -70.5 | 175.7 | 0 | 0 | 0 | 113.9 | F102 F162 V165 K169 | F102-L106 HydrophobicContact CB-CD1 4.34Å; F102-L106 HydrophobicContact CD1-CD1 4.31Å; F102-L106 WeakPolarHBondContact O-CB 3.21Å; F102-L106 PolarHBondContact O-N 2.92Å; L106-F162 HydrophobicContact CD1-CD2 3.79Å; L106-F162 HydrophobicContact CD1-CE2 3.75Å; L106-F162 HydrophobicContact CD2-CE2 4.31Å; L106-V165 HydrophobicContact CB-CG1 3.88Å; L106-V165 HydrophobicContact CD1-CB 4.33Å; L106-V165 HydrophobicContact CD1-CG1 4.01Å; L106-K169 PolarHBondContact O-NZ 3.39Å |
| 107 | L | 87.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 77 Ų | 77 | 19% | 0.194 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -107.6 | -3.7 | -178.1 | -69.6 | 172 | 0 | 0 | 0 | 112.7 | M103 H109 V165 E168 K169 K172 | M103-L107 HydrophobicContact CG-CD1 4.4Å; M103-L107 WeakPolarHBondContact O-CB 3.41Å; M103-L107 PolarHBondContact O-N 3.29Å; L107-H109 PolarHBondContact O-N 3.43Å; L107-H109 VanDerWaalsContact O-N 3.12Å; L107-V165 HydrophobicContact CD1-CG1 3.72Å; L107-V165 HydrophobicContact CG-CG1 3.9Å; L107-E168 HydrophobicContact CD1-CB 4.43Å; L107-E168 HydrophobicContact CD1-CG 4.24Å; L107-K169 HydrophobicContact CD2-CB 3.6Å; L107-K169 HydrophobicContact CD2-CD 4.29Å; L107-K169 HydrophobicContact CD2-CG 3.79Å; L107-K169 HydrophobicContact CG-CB 4.42Å; L107-K172 HydrophobicContact CD2-CD 4.37Å |
| 108 | N | 84.4 | Confident | 88.4 | Confident | 126 Ų | 126 | 77 Ų | 77 | 67% | 0.674 | 39% | 0.389 | S | S | * | . | trans | 51 | 32.7 | -174.4 | -65 | -43.9 | 0 | 0 | 0 | 112.6 | I104 | I104-N108 WeakPolarHBondContact O-CA 3.43Å; I104-N108 PolarHBondContact O-N 3.48Å; I104-N108 VanDerWaalsContact O-N 3.13Å | ||
| 109 | H | 81.5 | Confident | 88.3 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | trans | -77.3 | 132.1 | 178.3 | -172.3 | -96 | 0 | 0 | 0 | 109.6 | M103 I104 L107 | M103-H109 HydrophobicContact CG-CB 3.76Å; M103-H109 PolarHBondContact O-N 2.94Å; M103-H109 HydrophobicContact SD-CB 3.6Å; M103-H109 PolarHBondContact SD-ND1 3.31Å; I104-H109 WeakPolarHBondContact CG1-O 3.42Å; L107-H109 PolarHBondContact O-N 3.43Å; L107-H109 VanDerWaalsContact O-N 3.12Å | ||
| 110 | H | 79.6 | Confident | 88.3 | Confident | 166 Ų | 166 | 79.7 Ų | 79.7 | 77% | 0.769 | 40% | 0.4 | S | S | * | . | trans | -90.6 | 109.6 | 174.8 | -66 | -67.1 | 0 | 0 | 0 | 109.9 | R112 | H110-R112 PolarHBondContact O-N 3.14Š| ||
| 111 | L | 80 | Confident | 88.3 | Confident | 26 Ų | 26 | 84.4 Ų | 84.4 | 14% | 0.136 | 42% | 0.424 | C | S | . | . | trans | -75.1 | 124 | 171.3 | -68.7 | 178 | 0 | 0 | 0 | 110.1 | A100 M103 I104 Q115 W116 L119 | A100-L111 HydrophobicContact CB-CD1 3.83Å; M103-L111 HydrophobicContact CE-CD2 3.98Å; M103-L111 HydrophobicContact SD-CD2 3.69Å; M103-L111 HydrophobicContact SD-CG 4.2Å; I104-L111 HydrophobicContact CD1-CD1 4.07Å; I104-L111 HydrophobicContact CD1-CG 4.38Å; I104-L111 HydrophobicContact CG1-CD1 4.33Å; I104-L111 HydrophobicContact CG1-CG 4.32Å; L111-Q115 VanDerWaalsContact CA-OE1 3.27Å; L111-Q115 HydrophobicContact CB-CB 4.49Å; L111-Q115 HydrophobicContact CD2-CB 4.33Å; L111-W116 HydrophobicContact CD1-CZ2 4.19Å; L111-L119 HydrophobicContact CD1-CD1 4.39Å | ||
| 112 | R | 84.8 | Confident | 88.2 | Confident | 182 Ų | 182 | 83.6 Ų | 83.6 | 69% | 0.687 | 42% | 0.421 | S | S | * | . | trans | -64 | 149.3 | 174.3 | -169.5 | 177.7 | -68 | -103.5 | 2.3 | 109.6 | H110 T114 Q115 W116 | H110-R112 PolarHBondContact O-N 3.14Å; R112-T114 VanDerWaalsContact CD-OG1 3.3Å; R112-T114 WeakPolarHBondContact CD-OG1 3.46Å; R112-T114 WeakPolarHBondContact CG-OG1 3.22Å; R112-T114 PolarHBondContact O-N 3.46Å; R112-Q115 HydrophobicContact CB-CG 4.36Å; R112-Q115 WeakPolarHBondContact O-CA 3.47Å; R112-Q115 WeakPolarHBondContact O-CB 3.29Å; R112-Q115 PolarHBondContact O-N 3.22Å; R112-W116 PolarHBondContact O-N 3.41Å; R112-W116 VanDerWaalsContact O-N 3.15Å | ||
| 113 | S | 84.5 | Confident | 88 | Confident | 101 Ų | 101 | 82.3 Ų | 82.3 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -55.8 | -28.9 | 177.2 | -53 | 0 | 0 | 0 | 0 | 113.2 | W116 F117 | S113-W116 PolarHBondContact O-N 3.29Å; S113-F117 WeakPolarHBondContact O-CB 3.46Å; S113-F117 PolarHBondContact O-N 2.86Å |
| 114 | T | 87.2 | Confident | 87.9 | Confident | 93 Ų | 93 | 83.7 Ų | 83.7 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.6 | -35.1 | 172.9 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | R112 F117 S118 | R112-T114 VanDerWaalsContact CD-OG1 3.3Å; R112-T114 WeakPolarHBondContact CD-OG1 3.46Å; R112-T114 WeakPolarHBondContact CG-OG1 3.22Å; R112-T114 PolarHBondContact O-N 3.46Å; T114-F117 PolarHBondContact O-N 3.13Å; T114-S118 WeakPolarHBondContact O-CB 3.38Å; T114-S118 PolarHBondContact O-N 3.27Å |
| 115 | Q | 88.3 | Confident | 87.7 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.9 | -42.3 | 175.3 | -66.5 | 173.2 | -42.6 | 0 | 0 | 110.3 | L111 R112 F117 S118 L119 | L111-Q115 VanDerWaalsContact CA-OE1 3.27Å; L111-Q115 HydrophobicContact CB-CB 4.49Å; L111-Q115 HydrophobicContact CD2-CB 4.33Å; R112-Q115 HydrophobicContact CB-CG 4.36Å; R112-Q115 WeakPolarHBondContact O-CA 3.47Å; R112-Q115 WeakPolarHBondContact O-CB 3.29Å; R112-Q115 PolarHBondContact O-N 3.22Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; Q115-F117 PolarHBondContact O-N 3.45Å; Q115-S118 WeakPolarHBondContact CA-OG 3.5Å; Q115-S118 PolarHBondContact O-N 3.18Å; Q115-S118 VanDerWaalsContact O-N 3.16Å; Q115-S118 PolarHBondContact O-OG 3.24Å; Q115-L119 WeakPolarHBondContact O-CG 3.39Å; Q115-L119 PolarHBondContact O-N 3.47Å |
| 116 | W | 90.6 | Very high | 87.5 | Confident | 72 Ų | 72 | 78.7 Ų | 78.7 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 170.9 | -83.7 | 109.2 | 0 | 0 | 0 | 112.6 | M101 I104 L111 R112 S113 S118 L119 L120 | M101-W116 HydrophobicContact CE-CH2 3.3Å; M101-W116 HydrophobicContact CE-CZ2 3.81Å; M101-W116 HydrophobicContact CE-CZ3 4.32Å; I104-W116 HydrophobicContact CD1-CZ2 3.65Å; L111-W116 HydrophobicContact CD1-CZ2 4.19Å; R112-W116 PolarHBondContact O-N 3.41Å; R112-W116 VanDerWaalsContact O-N 3.15Å; S113-W116 PolarHBondContact O-N 3.29Å; W116-S118 VanDerWaalsContact C-N 3.32Å; W116-S118 PolarHBondContact O-N 3.12Å; W116-L119 HydrophobicContact CE3-CD1 4.36Å; W116-L119 HydrophobicContact CZ3-CD1 4.42Å; W116-L119 PolarHBondContact O-N 2.88Å; W116-L120 PolarHBondContact O-N 3.03Å |
| 117 | F | 91.1 | Very high | 87.4 | Confident | 138 Ų | 138 | 79.7 Ų | 79.7 | 61% | 0.605 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.2 | -42.3 | 175.6 | -176.1 | -103.8 | 0 | 0 | 0 | 111.6 | S113 T114 Q115 L119 L120 L121 | S113-F117 WeakPolarHBondContact O-CB 3.46Å; S113-F117 PolarHBondContact O-N 2.86Å; T114-F117 PolarHBondContact O-N 3.13Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; Q115-F117 PolarHBondContact O-N 3.45Å; F117-L119 VanDerWaalsContact C-N 3.32Å; F117-L119 PolarHBondContact O-N 3.3Å; F117-L120 PolarHBondContact O-N 3.45Å; F117-L121 HydrophobicContact CE1-CD2 4.27Å; F117-L121 VanDerWaalsContact O-CB 3.26Å; F117-L121 WeakPolarHBondContact O-CB 3.41Å; F117-L121 PolarHBondContact O-N 3.33Å |
| 118 | S | 91.4 | Very high | 87.4 | Confident | 60 Ų | 60 | 83 Ų | 83 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 176.6 | 74.9 | 0 | 0 | 0 | 0 | 113 | T114 Q115 W116 L121 L122 | T114-S118 WeakPolarHBondContact O-CB 3.38Å; T114-S118 PolarHBondContact O-N 3.27Å; Q115-S118 WeakPolarHBondContact CA-OG 3.5Å; Q115-S118 PolarHBondContact O-N 3.18Å; Q115-S118 VanDerWaalsContact O-N 3.16Å; Q115-S118 PolarHBondContact O-OG 3.24Å; W116-S118 VanDerWaalsContact C-N 3.32Å; W116-S118 PolarHBondContact O-N 3.12Å; S118-L121 PolarHBondContact O-N 3.09Å; S118-L122 VanDerWaalsContact O-CB 3.23Å; S118-L122 WeakPolarHBondContact O-CB 3.36Å; S118-L122 PolarHBondContact O-N 2.91Å |
| 119 | L | 90.9 | Very high | 87.4 | Confident | 25 Ų | 25 | 81.7 Ų | 81.7 | 13% | 0.131 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 175.9 | -70.9 | 177.5 | 0 | 0 | 0 | 111.6 | I96 F97 A100 L111 Q115 W116 F117 L122 S123 | I96-L119 HydrophobicContact CG2-CD2 3.45Å; I96-L119 VanDerWaalsContact CG2-CD2 3.45Å; F97-L119 HydrophobicContact CE1-CB 4.47Å; A100-L119 HydrophobicContact CB-CD1 3.71Å; L111-L119 HydrophobicContact CD1-CD1 4.39Å; Q115-L119 WeakPolarHBondContact O-CG 3.39Å; Q115-L119 PolarHBondContact O-N 3.47Å; W116-L119 HydrophobicContact CE3-CD1 4.36Å; W116-L119 HydrophobicContact CZ3-CD1 4.42Å; W116-L119 PolarHBondContact O-N 2.88Å; F117-L119 VanDerWaalsContact C-N 3.32Å; F117-L119 PolarHBondContact O-N 3.3Å; L119-L122 PolarHBondContact O-N 3.03Å; L119-S123 WeakPolarHBondContact O-CB 3.3Å; L119-S123 PolarHBondContact O-N 2.86Å |
| 120 | L | 91.6 | Very high | 87.4 | Confident | 94 Ų | 94 | 80.5 Ų | 80.5 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 175.5 | -71 | 173.9 | 0 | 0 | 0 | 110.9 | F97 W116 F117 L122 S123 T124 | F97-L120 HydrophobicContact CE1-CD2 4.07Å; F97-L120 HydrophobicContact CZ-CD2 4.13Å; W116-L120 PolarHBondContact O-N 3.03Å; F117-L120 PolarHBondContact O-N 3.45Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 2.92Å; L120-S123 PolarHBondContact O-N 3.19Å; L120-T124 WeakPolarHBondContact O-CB 3.27Å; L120-T124 PolarHBondContact O-N 3.48Å; L120-T124 PolarHBondContact O-OG1 3.27Å; L120-T124 VanDerWaalsContact O-OG1 3.07Å |
| 121 | L | 93.1 | Very high | 87.2 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 55% | 0.55 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 179 | -174.1 | 66.4 | 0 | 0 | 0 | 111.8 | F117 S118 T124 G125 | F117-L121 HydrophobicContact CE1-CD2 4.27Å; F117-L121 VanDerWaalsContact O-CB 3.26Å; F117-L121 WeakPolarHBondContact O-CB 3.41Å; F117-L121 PolarHBondContact O-N 3.33Å; S118-L121 PolarHBondContact O-N 3.09Å; L121-T124 PolarHBondContact O-N 3.46Å; L121-G125 PolarHBondContact O-N 3.44Å |
| 122 | L | 89.3 | Confident | 87 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 41% | 0.408 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.6 | -172.9 | 163.6 | 0 | 0 | 0 | 110.8 | I96 S118 L119 L120 G125 I126 | I96-L122 HydrophobicContact CD1-CD2 4.21Å; S118-L122 VanDerWaalsContact O-CB 3.23Å; S118-L122 WeakPolarHBondContact O-CB 3.36Å; S118-L122 PolarHBondContact O-N 2.91Å; L119-L122 PolarHBondContact O-N 3.03Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 2.92Å; L122-G125 PolarHBondContact O-N 3.28Å; L122-I126 HydrophobicContact CD2-CD1 3.48Å; L122-I126 VanDerWaalsContact CD2-CD1 3.48Å; L122-I126 HydrophobicContact CD2-CG1 4.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.15Å; L122-I126 PolarHBondContact O-N 2.9Å |
| 123 | S | 87.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 13% | 0.126 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 177.2 | -172 | 0 | 0 | 0 | 0 | 112.1 | L119 L120 G125 I126 I127 | L119-S123 WeakPolarHBondContact O-CB 3.3Å; L119-S123 PolarHBondContact O-N 2.86Å; L120-S123 PolarHBondContact O-N 3.19Å; S123-G125 VanDerWaalsContact C-N 3.34Å; S123-I126 PolarHBondContact O-N 2.82Å; S123-I127 VanDerWaalsContact O-CG1 3.27Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.38Å |
| 124 | T | 89.7 | Confident | 85.7 | Confident | 72 Ų | 72 | 72 Ų | 72 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | L120 L121 I126 I127 L128 | L120-T124 WeakPolarHBondContact O-CB 3.27Å; L120-T124 PolarHBondContact O-N 3.48Å; L120-T124 PolarHBondContact O-OG1 3.27Å; L120-T124 VanDerWaalsContact O-OG1 3.07Å; L121-T124 PolarHBondContact O-N 3.46Å; T124-I126 PolarHBondContact O-N 2.93Å; T124-I127 PolarHBondContact O-N 2.82Å; T124-L128 HydrophobicContact CG2-CD1 3.83Å; T124-L128 HydrophobicContact CG2-CG 4.1Å; T124-L128 WeakPolarHBondContact O-CB 3.5Å; T124-L128 VanDerWaalsContact O-CG 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.37Å; T124-L128 PolarHBondContact O-N 3.18Å |
| 125 | G | 89.4 | Confident | 84.5 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 33% | 0.33 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L121 L122 S123 L128 T129 | L121-G125 PolarHBondContact O-N 3.44Å; L122-G125 PolarHBondContact O-N 3.28Å; S123-G125 VanDerWaalsContact C-N 3.34Å; G125-L128 PolarHBondContact O-N 2.7Å; G125-T129 VanDerWaalsContact O-CG2 3.29Å; G125-T129 WeakPolarHBondContact O-CG2 3.25Å; G125-T129 PolarHBondContact O-N 3.44Å; G125-T129 PolarHBondContact O-OG1 3.33Å; G125-T129 VanDerWaalsContact O-OG1 3.11Å |
| 126 | I | 86.2 | Confident | 83.1 | Confident | 36 Ų | 36 | 74.9 Ų | 74.9 | 19% | 0.185 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.6 | -67.5 | 172.2 | 0 | 0 | 0 | 111 | Q93 L122 S123 T124 L128 T129 Q130 | Q93-I126 VanDerWaalsContact CD-CD1 3.48Å; Q93-I126 HydrophobicContact CG-CD1 3.93Å; L122-I126 HydrophobicContact CD2-CD1 3.48Å; L122-I126 VanDerWaalsContact CD2-CD1 3.48Å; L122-I126 HydrophobicContact CD2-CG1 4.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.15Å; L122-I126 PolarHBondContact O-N 2.9Å; S123-I126 PolarHBondContact O-N 2.82Å; T124-I126 PolarHBondContact O-N 2.93Å; I126-L128 PolarHBondContact O-N 2.84Å; I126-T129 WeakPolarHBondContact CA-OG1 3.39Å; I126-T129 PolarHBondContact O-N 3.5Å; I126-T129 PolarHBondContact O-OG1 2.95Å; I126-Q130 HydrophobicContact CG2-CG 4.43Å; I126-Q130 WeakPolarHBondContact O-CB 3.37Å; I126-Q130 WeakPolarHBondContact O-CG 3.37Å; I126-Q130 PolarHBondContact O-N 2.83Å |
| 127 | I | 86.4 | Confident | 81.4 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 32% | 0.318 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 177.6 | -68.1 | 164 | 0 | 0 | 0 | 110.1 | I90 S123 T124 T129 Q130 L131 | I90-I127 HydrophobicContact CG2-CG1 3.95Å; S123-I127 VanDerWaalsContact O-CG1 3.27Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.38Å; T124-I127 PolarHBondContact O-N 2.82Å; I127-T129 VanDerWaalsContact C-N 3.33Å; I127-T129 PolarHBondContact O-N 3.44Å; I127-Q130 CarbonylContact O-C 3.57Å; I127-Q130 PolarHBondContact O-N 2.85Å; I127-L131 HydrophobicContact CG2-CD2 4.26Å; I127-L131 HydrophobicContact CG2-CG 4.16Å; I127-L131 WeakPolarHBondContact O-CG 3.42Å; I127-L131 PolarHBondContact O-N 3Å |
| 128 | L | 87.8 | Confident | 79.5 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.6 | -42.1 | -179.6 | -74 | 175.1 | 0 | 0 | 0 | 112.6 | T124 G125 I126 Q130 L131 P132 | T124-L128 HydrophobicContact CG2-CD1 3.83Å; T124-L128 HydrophobicContact CG2-CG 4.1Å; T124-L128 WeakPolarHBondContact O-CB 3.5Å; T124-L128 VanDerWaalsContact O-CG 3.23Å; T124-L128 WeakPolarHBondContact O-CG 3.37Å; T124-L128 PolarHBondContact O-N 3.18Å; G125-L128 PolarHBondContact O-N 2.7Å; I126-L128 PolarHBondContact O-N 2.84Å; L128-Q130 PolarHBondContact O-N 3.28Å; L128-L131 HydrophobicContact CD2-CD1 4.07Å; L128-P132 WeakPolarHBondContact O-CD 3.46Å |
| 129 | T | 83.8 | Confident | 77.8 | Confident | 98 Ų | 98 | 73.9 Ų | 73.9 | 60% | 0.601 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.5 | -23.4 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 113 | G125 I126 I127 | G125-T129 VanDerWaalsContact O-CG2 3.29Å; G125-T129 WeakPolarHBondContact O-CG2 3.25Å; G125-T129 PolarHBondContact O-N 3.44Å; G125-T129 PolarHBondContact O-OG1 3.33Å; G125-T129 VanDerWaalsContact O-OG1 3.11Å; I126-T129 WeakPolarHBondContact CA-OG1 3.39Å; I126-T129 PolarHBondContact O-N 3.5Å; I126-T129 PolarHBondContact O-OG1 2.95Å; I127-T129 VanDerWaalsContact C-N 3.33Å; I127-T129 PolarHBondContact O-N 3.44Å |
| 130 | Q | 81.6 | Confident | 75.8 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 22% | 0.224 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -97.9 | -22.6 | -177.5 | -63.4 | -63.6 | 4.2 | 0 | 0 | 113.5 | V86 I90 I126 I127 L128 P132 S133 L134 | V86-Q130 HydrophobicContact CG1-CB 3.9Å; I90-Q130 HydrophobicContact CD1-CB 3.75Å; I90-Q130 HydrophobicContact CG1-CB 3.88Å; I90-Q130 HydrophobicContact CG1-CG 4.18Å; I126-Q130 HydrophobicContact CG2-CG 4.43Å; I126-Q130 WeakPolarHBondContact O-CB 3.37Å; I126-Q130 WeakPolarHBondContact O-CG 3.37Å; I126-Q130 PolarHBondContact O-N 2.83Å; I127-Q130 CarbonylContact O-C 3.57Å; I127-Q130 PolarHBondContact O-N 2.85Å; L128-Q130 PolarHBondContact O-N 3.28Å; Q130-P132 VanDerWaalsContact C-CD 3.44Å; Q130-S133 WeakPolarHBondContact O-CA 3.32Å; Q130-S133 VanDerWaalsContact O-CB 3.29Å; Q130-S133 WeakPolarHBondContact O-CB 3.48Å; Q130-S133 PolarHBondContact O-N 3.32Å; Q130-L134 VanDerWaalsContact O-CD1 3.28Å; Q130-L134 WeakPolarHBondContact O-CD1 3.39Å; Q130-L134 PolarHBondContact O-N 2.72Å |
| 131 | L | 76 | Confident | 73.8 | Confident | 89 Ų | 89 | 78.8 Ų | 78.8 | 47% | 0.466 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -47.9 | -45.2 | 179.1 | -79.2 | -179.1 | 0 | 0 | 0 | 115 | I127 L128 S133 L134 | I127-L131 HydrophobicContact CG2-CD2 4.26Å; I127-L131 HydrophobicContact CG2-CG 4.16Å; I127-L131 WeakPolarHBondContact O-CG 3.42Å; I127-L131 PolarHBondContact O-N 3Å; L128-L131 HydrophobicContact CD2-CD1 4.07Å; L131-S133 PolarHBondContact O-N 3.38Å; L131-S133 VanDerWaalsContact O-N 3.12Å; L131-L134 HydrophobicContact CD2-CD1 4.48Å; L131-L134 PolarHBondContact O-N 2.83Å |
| 132 | P | 75.1 | Confident | 72.1 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 66% | 0.662 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.8 | -27.3 | 177.6 | -24.5 | 35.1 | 0 | 0 | 0 | 113.2 | L128 Q130 | L128-P132 WeakPolarHBondContact O-CD 3.46Å; Q130-P132 VanDerWaalsContact C-CD 3.44Å |
| 133 | S | 73.4 | Confident | 70.6 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 36% | 0.357 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -84 | -14.7 | -179.9 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | V86 Q130 L131 | V86-S133 VanDerWaalsContact CG2-CB 3.42Å; Q130-S133 WeakPolarHBondContact O-CA 3.32Å; Q130-S133 VanDerWaalsContact O-CB 3.29Å; Q130-S133 WeakPolarHBondContact O-CB 3.48Å; Q130-S133 PolarHBondContact O-N 3.32Å; L131-S133 PolarHBondContact O-N 3.38Å; L131-S133 VanDerWaalsContact O-N 3.12Å |
| 134 | L | 68.3 | Low | 69.1 | Low | 54 Ų | 54 | 86.3 Ų | 86.3 | 28% | 0.283 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.3 | -29.4 | 177.3 | -86.8 | 86.4 | 0 | 0 | 0 | 112.7 | V86 L87 I90 Q130 L131 Q136 S137 | V86-L134 HydrophobicContact CG1-CD1 3.43Å; V86-L134 VanDerWaalsContact CG1-CD1 3.43Å; V86-L134 HydrophobicContact CG1-CG 4.14Å; L87-L134 HydrophobicContact CD2-CD2 4.08Å; I90-L134 HydrophobicContact CD1-CD1 3.6Å; Q130-L134 VanDerWaalsContact O-CD1 3.28Å; Q130-L134 WeakPolarHBondContact O-CD1 3.39Å; Q130-L134 PolarHBondContact O-N 2.72Å; L131-L134 HydrophobicContact CD2-CD1 4.48Å; L131-L134 PolarHBondContact O-N 2.83Å; L134-Q136 PolarHBondContact O-N 2.91Å; L134-S137 PolarHBondContact O-N 3.29Å |
| 135 | G | 63.9 | Low | 68.1 | Low | 71 Ų | 71 | 85.3 Ų | 85.3 | 73% | 0.732 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -2.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 136 | Q | 57.7 | Low | 67.5 | Low | 159 Ų | 159 | 85.8 Ų | 85.8 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 2.5 | 179.9 | -67.9 | 177.1 | 34.9 | 0 | 0 | 114 | L134 | L134-Q136 PolarHBondContact O-N 2.91Š|
| 137 | S | 55.3 | Low | 67.5 | Low | 38 Ų | 38 | 87.5 Ų | 87.5 | 27% | 0.266 | 51% | 0.511 | S | S | . | . | trans | -127.8 | 33.1 | -164.3 | -57.6 | 0 | 0 | 0 | 0 | 116.8 | N84 L134 | N84-S137 WeakPolarHBondContact ND2-CB 3.18Å; N84-S137 PolarHBondContact ND2-OG 3.47Å; L134-S137 PolarHBondContact O-N 3.29Å | ||
| 138 | T | 52 | Low | 67.6 | Low | 136 Ų | 136 | 91.9 Ų | 91.9 | 83% | 0.834 | 52% | 0.524 | S | S | * | . | trans | -110.2 | 77.7 | 174.6 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 139 | S | 54.5 | Low | 67.7 | Low | 76 Ų | 76 | 86.7 Ų | 86.7 | 53% | 0.531 | 50% | 0.497 | S | S | . | . | trans | -108.1 | 128.4 | 160.3 | -63.3 | 0 | 0 | 0 | 0 | 109 | S141 E142 | S139-S141 VanDerWaalsContact C-N 3.26Å; S139-S141 PolarHBondContact O-N 2.94Å; S139-E142 WeakPolarHBondContact O-CB 3.29Å; S139-E142 PolarHBondContact O-N 2.95Å | ||
| 140 | S | 48.8 | Very low | 68 | Low | 114 Ų | 114 | 84.7 Ų | 84.7 | 80% | 0.797 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -60.7 | -24.9 | -170.6 | 46.9 | 0 | 0 | 0 | 0 | 115.3 | E142 F143 | S140-E142 PolarHBondContact O-N 3.39Å; S140-F143 PolarHBondContact O-N 2.87Å |
| 141 | S | 51.1 | Low | 68.6 | Low | 107 Ų | 107 | 87.2 Ų | 87.2 | 75% | 0.748 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -68.7 | -12.4 | 174.5 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | S139 | S139-S141 VanDerWaalsContact C-N 3.26Å; S139-S141 PolarHBondContact O-N 2.94Å |
| 142 | E | 56.6 | Low | 69.4 | Low | 95 Ų | 95 | 83.3 Ų | 83.3 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -83.1 | -15 | 176.6 | -62.3 | -169.5 | 151.5 | 0 | 0 | 113.3 | S139 S140 H144 S145 N146 | S139-E142 WeakPolarHBondContact O-CB 3.29Å; S139-E142 PolarHBondContact O-N 2.95Å; S140-E142 PolarHBondContact O-N 3.39Å; E142-H144 PolarHBondContact O-N 3.36Å; E142-S145 PolarHBondContact O-N 2.96Å; E142-N146 WeakPolarHBondContact O-CB 3.27Å; E142-N146 PolarHBondContact O-N 2.81Å |
| 143 | F | 57 | Low | 70.3 | Confident | 129 Ų | 129 | 78.4 Ų | 78.4 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.9 | -45.7 | -168.9 | -168.9 | -100.4 | 0 | 0 | 0 | 114 | S140 N146 L147 | S140-F143 PolarHBondContact O-N 2.87Å; F143-N146 WeakPolarHBondContact O-CB 3.26Å; F143-N146 PolarHBondContact O-N 2.93Å; F143-L147 HydrophobicContact CD1-CD1 4.05Å; F143-L147 HydrophobicContact CD1-CG 4.29Å; F143-L147 HydrophobicContact CE1-CD1 3.71Å; F143-L147 HydrophobicContact CE1-CD2 4.3Å; F143-L147 HydrophobicContact CE1-CG 4.06Å; F143-L147 HydrophobicContact CZ-CD1 4.47Å; F143-L147 HydrophobicContact CZ-CD2 4.27Å; F143-L147 HydrophobicContact CZ-CG 4.48Å; F143-L147 WeakPolarHBondContact O-CG 3.33Å; F143-L147 PolarHBondContact O-N 2.85Å |
| 144 | H | 57.3 | Low | 71.3 | Confident | 136 Ų | 136 | 79.1 Ų | 79.1 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | -179.7 | -73 | 86.6 | 0 | 0 | 0 | 112.6 | E142 N146 L147 Y148 | E142-H144 PolarHBondContact O-N 3.36Å; H144-N146 VanDerWaalsContact C-N 3.25Å; H144-N146 PolarHBondContact O-N 3.27Å; H144-L147 PolarHBondContact O-N 2.83Å; H144-Y148 VanDerWaalsContact O-CD2 3.22Å; H144-Y148 WeakPolarHBondContact O-CD2 3.41Å; H144-Y148 PolarHBondContact O-N 3.17Å |
| 145 | S | 67.6 | Low | 72.6 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 35% | 0.35 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 173.3 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | H82 E142 L147 Y148 G149 | H82-S145 WeakPolarHBondContact CB-O 3.42Å; H82-S145 PolarHBondContact CD2-OG 2.96Å; E142-S145 PolarHBondContact O-N 2.96Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 3.48Å; S145-Y148 PolarHBondContact O-N 2.88Å; S145-G149 PolarHBondContact O-N 2.87Å; S145-G149 VanDerWaalsContact O-N 3.13Å |
| 146 | N | 77.5 | Confident | 74.1 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 179.6 | -161.1 | 3.9 | 0 | 0 | 0 | 111.8 | L83 E142 F143 H144 G149 L150 | L83-N146 WeakPolarHBondContact CD2-OD1 3.25Å; E142-N146 WeakPolarHBondContact O-CB 3.27Å; E142-N146 PolarHBondContact O-N 2.81Å; F143-N146 WeakPolarHBondContact O-CB 3.26Å; F143-N146 PolarHBondContact O-N 2.93Å; H144-N146 VanDerWaalsContact C-N 3.25Å; H144-N146 PolarHBondContact O-N 3.27Å; N146-G149 PolarHBondContact O-N 2.6Å; N146-L150 WeakPolarHBondContact O-CB 3.23Å; N146-L150 PolarHBondContact O-N 3.4Å |
| 147 | L | 85.9 | Confident | 75.9 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 175.3 | -72.9 | 179.2 | 0 | 0 | 0 | 112.9 | F143 H144 S145 G149 L150 L151 | F143-L147 HydrophobicContact CD1-CD1 4.05Å; F143-L147 HydrophobicContact CD1-CG 4.29Å; F143-L147 HydrophobicContact CE1-CD1 3.71Å; F143-L147 HydrophobicContact CE1-CD2 4.3Å; F143-L147 HydrophobicContact CE1-CG 4.06Å; F143-L147 HydrophobicContact CZ-CD1 4.47Å; F143-L147 HydrophobicContact CZ-CD2 4.27Å; F143-L147 HydrophobicContact CZ-CG 4.48Å; F143-L147 WeakPolarHBondContact O-CG 3.33Å; F143-L147 PolarHBondContact O-N 2.85Å; H144-L147 PolarHBondContact O-N 2.83Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 3.48Å; L147-G149 VanDerWaalsContact C-N 3.34Å; L147-G149 PolarHBondContact O-N 3.09Å; L147-L150 PolarHBondContact O-N 3.35Å; L147-L151 WeakPolarHBondContact O-CG 3.16Å; L147-L151 PolarHBondContact O-N 3.44Å |
| 148 | Y | 88.3 | Confident | 77.8 | Confident | 153 Ų | 153 | 71.9 Ų | 71.9 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.6 | -41.8 | 176.8 | -68.6 | -67.5 | 0 | 0 | 0 | 111.6 | H144 S145 L150 L151 A152 | H144-Y148 VanDerWaalsContact O-CD2 3.22Å; H144-Y148 WeakPolarHBondContact O-CD2 3.41Å; H144-Y148 PolarHBondContact O-N 3.17Å; S145-Y148 PolarHBondContact O-N 2.88Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; Y148-L151 PolarHBondContact O-N 3.41Å; Y148-A152 VanDerWaalsContact O-CB 3.31Å; Y148-A152 WeakPolarHBondContact O-CB 3.07Å; Y148-A152 PolarHBondContact O-N 2.75Å |
| 149 | G | 89.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S145 N146 L147 A152 I153 | S145-G149 PolarHBondContact O-N 2.87Å; S145-G149 VanDerWaalsContact O-N 3.13Å; N146-G149 PolarHBondContact O-N 2.6Å; L147-G149 VanDerWaalsContact C-N 3.34Å; L147-G149 PolarHBondContact O-N 3.09Å; G149-A152 PolarHBondContact O-N 2.87Å; G149-I153 WeakPolarHBondContact O-CG2 3.28Å; G149-I153 PolarHBondContact O-N 3.06Å |
| 150 | L | 91.1 | Very high | 81.8 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 29% | 0.293 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 178.7 | -176.7 | 151.3 | 0 | 0 | 0 | 111.4 | L91 N146 L147 Y148 A152 I153 L154 | L91-L150 HydrophobicContact CD1-CB 4.4Å; L91-L150 HydrophobicContact CD1-CD1 4.26Å; L91-L150 HydrophobicContact CD1-CG 4.15Å; N146-L150 WeakPolarHBondContact O-CB 3.23Å; N146-L150 PolarHBondContact O-N 3.4Å; L147-L150 PolarHBondContact O-N 3.35Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-I153 VanDerWaalsContact O-CG2 3.29Å; L150-I153 WeakPolarHBondContact O-CG2 3.39Å; L150-I153 PolarHBondContact O-N 3.42Å; L150-L154 HydrophobicContact CD2-CD1 3.56Å; L150-L154 HydrophobicContact CD2-CG 4.31Å; L150-L154 HydrophobicContact CG-CD1 4.4Å; L150-L154 WeakPolarHBondContact O-CB 3.29Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.3Å |
| 151 | L | 93.2 | Very high | 83.9 | Confident | 101 Ų | 101 | 57.8 Ų | 57.8 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.3 | -70.7 | 174.8 | 0 | 0 | 0 | 111.2 | L147 Y148 I153 L154 L155 | L147-L151 WeakPolarHBondContact O-CG 3.16Å; L147-L151 PolarHBondContact O-N 3.44Å; Y148-L151 PolarHBondContact O-N 3.41Å; L151-I153 PolarHBondContact O-N 2.93Å; L151-L154 PolarHBondContact O-N 3.27Å; L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.19Å; L151-L155 PolarHBondContact O-N 3.04Å |
| 152 | A | 93.7 | Very high | 86 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 5% | 0.05 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L75 F78 A79 Y148 G149 L150 L155 A156 | L75-A152 HydrophobicContact CD2-CB 4.31Å; F78-A152 HydrophobicContact CD1-CB 3.64Å; F78-A152 HydrophobicContact CE1-CB 4.24Å; A79-A152 HydrophobicContact CB-CB 4.31Å; Y148-A152 VanDerWaalsContact O-CB 3.31Å; Y148-A152 WeakPolarHBondContact O-CB 3.07Å; Y148-A152 PolarHBondContact O-N 2.75Å; G149-A152 PolarHBondContact O-N 2.87Å; L150-A152 VanDerWaalsContact C-N 3.34Å; A152-L155 PolarHBondContact O-N 3.3Å; A152-A156 VanDerWaalsContact O-CB 3.27Å; A152-A156 WeakPolarHBondContact O-CB 3.04Å; A152-A156 PolarHBondContact O-N 3.4Å |
| 153 | I | 94.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.4 | -34.3 | -179.7 | -161.6 | 166.6 | 0 | 0 | 0 | 112.9 | L76 A79 L83 Y88 L91 G149 L150 L151 A156 S157 | L76-I153 HydrophobicContact CD2-CG1 4.13Å; A79-I153 HydrophobicContact CB-CB 3.8Å; A79-I153 HydrophobicContact CB-CG1 4.4Å; L83-I153 HydrophobicContact CD1-CB 4.28Å; L83-I153 HydrophobicContact CD1-CD1 4.24Å; L83-I153 HydrophobicContact CD1-CG2 3.93Å; Y88-I153 HydrophobicContact CD2-CD1 3.35Å; Y88-I153 HydrophobicContact CD2-CG1 4.45Å; Y88-I153 HydrophobicContact CE2-CD1 3.6Å; Y88-I153 HydrophobicContact CE2-CG1 4.37Å; Y88-I153 HydrophobicContact CG-CD1 3.97Å; Y88-I153 WeakPolarHBondContact O-CD1 3.23Å; L91-I153 HydrophobicContact CB-CD1 3.87Å; L91-I153 HydrophobicContact CB-CG1 4.39Å; L91-I153 HydrophobicContact CB-CG2 3.62Å; L91-I153 HydrophobicContact CD1-CG2 3.86Å; L91-I153 HydrophobicContact CG-CG2 4.32Å; G149-I153 WeakPolarHBondContact O-CG2 3.28Å; G149-I153 PolarHBondContact O-N 3.06Å; L150-I153 VanDerWaalsContact O-CG2 3.29Å; L150-I153 WeakPolarHBondContact O-CG2 3.39Å; L150-I153 PolarHBondContact O-N 3.42Å; L151-I153 PolarHBondContact O-N 2.93Å; I153-A156 PolarHBondContact O-N 2.96Å; I153-S157 WeakPolarHBondContact O-CB 3.37Å; I153-S157 PolarHBondContact O-N 3.19Å; I153-S157 PolarHBondContact O-OG 3.07Å |
| 154 | L | 94.1 | Very high | 89.5 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 173 | -71.4 | -179.9 | 0 | 0 | 0 | 111.3 | L150 L151 A156 S157 V158 | L150-L154 HydrophobicContact CD2-CD1 3.56Å; L150-L154 HydrophobicContact CD2-CG 4.31Å; L150-L154 HydrophobicContact CG-CD1 4.4Å; L150-L154 WeakPolarHBondContact O-CB 3.29Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.3Å; L151-L154 PolarHBondContact O-N 3.27Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 3.48Å; L154-V158 VanDerWaalsContact O-CG2 3.29Å; L154-V158 WeakPolarHBondContact O-CG2 3.35Å; L154-V158 PolarHBondContact O-N 3.48Å |
| 155 | L | 96 | Very high | 91.2 | Very high | 103 Ų | 103 | 39.3 Ų | 39.3 | 54% | 0.539 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 174 | -72.9 | 172.3 | 0 | 0 | 0 | 111.3 | L75 L151 A152 S157 T159 | L75-L155 HydrophobicContact CD1-CB 4.04Å; L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.19Å; L151-L155 PolarHBondContact O-N 3.04Å; A152-L155 PolarHBondContact O-N 3.3Å; L155-S157 VanDerWaalsContact C-N 3.33Å; L155-S157 PolarHBondContact O-N 2.88Å; L155-T159 WeakPolarHBondContact O-CB 3.37Å; L155-T159 VanDerWaalsContact O-CG2 3.3Å; L155-T159 WeakPolarHBondContact O-CG2 3.48Å; L155-T159 PolarHBondContact O-N 3.36Å; L155-T159 PolarHBondContact O-OG1 3.22Å |
| 156 | A | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q72 L75 L76 A152 I153 L154 T159 S160 | Q72-A156 HydrophobicContact CB-CB 4.38Å; L75-A156 HydrophobicContact CB-CB 3.8Å; L75-A156 HydrophobicContact CD1-CB 4.4Å; L76-A156 HydrophobicContact CD2-CB 3.6Å; L76-A156 HydrophobicContact CG-CB 3.86Å; A152-A156 VanDerWaalsContact O-CB 3.27Å; A152-A156 WeakPolarHBondContact O-CB 3.04Å; A152-A156 PolarHBondContact O-N 3.4Å; I153-A156 PolarHBondContact O-N 2.96Å; L154-A156 VanDerWaalsContact C-N 3.34Å; A156-T159 WeakPolarHBondContact CA-OG1 3.29Å; A156-T159 PolarHBondContact O-OG1 3.01Å; A156-T159 VanDerWaalsContact O-OG1 3.09Å; A156-S160 WeakPolarHBondContact O-CB 3.41Å; A156-S160 PolarHBondContact O-N 3.05Å |
| 157 | S | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.6 | -38.9 | -179 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | S94 T98 I153 L154 L155 G161 | S94-S157 VanDerWaalsContact OG-CB 3.25Å; S94-S157 WeakPolarHBondContact OG-CB 3.23Å; S94-S157 PolarHBondContact OG-OG 3.37Å; T98-S157 PolarHBondContact OG1-O 3.32Å; I153-S157 WeakPolarHBondContact O-CB 3.37Å; I153-S157 PolarHBondContact O-N 3.19Å; I153-S157 PolarHBondContact O-OG 3.07Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 3.48Å; L155-S157 VanDerWaalsContact C-N 3.33Å; L155-S157 PolarHBondContact O-N 2.88Å; S157-G161 PolarHBondContact O-N 2.82Å |
| 158 | V | 95.3 | Very high | 93.1 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 39% | 0.388 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.3 | -51.8 | 174 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | T98 F102 L154 S160 G161 F162 | T98-V158 HydrophobicContact CG2-CB 4.48Å; T98-V158 HydrophobicContact CG2-CG2 3.77Å; F102-V158 HydrophobicContact CE2-CG1 4.01Å; F102-V158 WeakPolarHBondContact CE2-O 3.26Å; F102-V158 HydrophobicContact CZ-CG1 4.07Å; L154-V158 VanDerWaalsContact O-CG2 3.29Å; L154-V158 WeakPolarHBondContact O-CG2 3.35Å; L154-V158 PolarHBondContact O-N 3.48Å; V158-S160 VanDerWaalsContact C-N 3.28Å; V158-S160 PolarHBondContact O-N 2.95Å; V158-G161 PolarHBondContact O-N 3.43Å; V158-F162 PolarHBondContact O-N 2.78Å |
| 159 | T | 95.4 | Very high | 93.1 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 178.7 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | L68 L155 A156 A163 | L68-T159 HydrophobicContact CD2-CG2 4.14Å; L155-T159 WeakPolarHBondContact O-CB 3.37Å; L155-T159 VanDerWaalsContact O-CG2 3.3Å; L155-T159 WeakPolarHBondContact O-CG2 3.48Å; L155-T159 PolarHBondContact O-N 3.36Å; L155-T159 PolarHBondContact O-OG1 3.22Å; A156-T159 WeakPolarHBondContact CA-OG1 3.29Å; A156-T159 PolarHBondContact O-OG1 3.01Å; A156-T159 VanDerWaalsContact O-OG1 3.09Å; T159-A163 VanDerWaalsContact O-CB 3.23Å; T159-A163 WeakPolarHBondContact O-CB 3.5Å; T159-A163 PolarHBondContact O-N 3.46Å |
| 160 | S | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 175.5 | -160.5 | 0 | 0 | 0 | 0 | 113.7 | Q72 K95 A156 V158 F162 A163 G164 | Q72-S160 PolarHBondContact NE2-OG 3.12Å; Q72-S160 PolarHBondContact OE1-OG 3.42Å; K95-S160 WeakPolarHBondContact CE-OG 3.42Å; K95-S160 PolarHBondContact NZ-OG 3.23Å; A156-S160 WeakPolarHBondContact O-CB 3.41Å; A156-S160 PolarHBondContact O-N 3.05Å; V158-S160 VanDerWaalsContact C-N 3.28Å; V158-S160 PolarHBondContact O-N 2.95Å; S160-F162 VanDerWaalsContact C-N 3.34Å; S160-A163 PolarHBondContact O-N 3.08Å; S160-G164 PolarHBondContact O-N 2.72Å |
| 161 | G | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T99 S157 V158 V165 | T99-G161 WeakPolarHBondContact OG1-CA 3Å; S157-G161 PolarHBondContact O-N 2.82Å; V158-G161 PolarHBondContact O-N 3.43Å; G161-V165 WeakPolarHBondContact O-CG2 3.46Å; G161-V165 PolarHBondContact O-N 2.77Å; G161-V165 VanDerWaalsContact O-N 3.15Å |
| 162 | F | 95.4 | Very high | 91.9 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 25% | 0.25 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -51.6 | 175.7 | 178.4 | -89.4 | 0 | 0 | 0 | 111.8 | I64 L68 F102 L106 V158 S160 G164 V165 Y166 | I64-F162 HydrophobicContact CG2-CE1 4.29Å; L68-F162 HydrophobicContact CD1-CD1 3.43Å; L68-F162 VanDerWaalsContact CD1-CD1 3.43Å; L68-F162 HydrophobicContact CD1-CE1 3.78Å; F102-F162 HydrophobicContact CD1-CB 4.43Å; F102-F162 AromaticContact CD1-CD2 3.94Å; F102-F162 HydrophobicContact CD1-CD2 3.94Å; F102-F162 HydrophobicContact CD2-CB 3.93Å; F102-F162 VanDerWaalsContact CD2-N 3.3Å; F102-F162 HydrophobicContact CE1-CB 4.29Å; F102-F162 AromaticContact CE1-CD2 3.8Å; F102-F162 HydrophobicContact CE1-CD2 3.8Å; F102-F162 HydrophobicContact CE2-CB 3.76Å; F102-F162 HydrophobicContact CG-CB 4.28Å; F102-F162 HydrophobicContact CG-CD2 4.49Å; F102-F162 HydrophobicContact CZ-CB 3.95Å; F102-F162 HydrophobicContact CZ-CD2 4.24Å; L106-F162 HydrophobicContact CD1-CD2 3.79Å; L106-F162 HydrophobicContact CD1-CE2 3.75Å; L106-F162 HydrophobicContact CD2-CE2 4.31Å; V158-F162 PolarHBondContact O-N 2.78Å; S160-F162 VanDerWaalsContact C-N 3.34Å; F162-G164 VanDerWaalsContact C-N 3.3Å; F162-G164 PolarHBondContact O-N 3.08Å; F162-V165 PolarHBondContact O-N 3.42Å; F162-Y166 HydrophobicContact CE1-CD2 4.3Å; F162-Y166 HydrophobicContact CE1-CG 4.3Å; F162-Y166 HydrophobicContact CZ-CD2 4.02Å; F162-Y166 HydrophobicContact CZ-CG 4.46Å; F162-Y166 WeakPolarHBondContact O-CB 3.25Å; F162-Y166 PolarHBondContact O-N 3.05Å |
| 163 | A | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P65 L68 Y69 T159 S160 L167 | P65-A163 HydrophobicContact CB-CB 4.18Å; L68-A163 HydrophobicContact CB-CB 3.82Å; L68-A163 HydrophobicContact CD1-CB 4.17Å; Y69-A163 HydrophobicContact CD1-CB 4.5Å; Y69-A163 HydrophobicContact CD2-CB 4.42Å; Y69-A163 HydrophobicContact CE1-CB 4.2Å; Y69-A163 HydrophobicContact CE2-CB 4.13Å; T159-A163 VanDerWaalsContact O-CB 3.23Å; T159-A163 WeakPolarHBondContact O-CB 3.5Å; T159-A163 PolarHBondContact O-N 3.46Å; S160-A163 PolarHBondContact O-N 3.08Å; A163-L167 WeakPolarHBondContact O-CB 3.31Å; A163-L167 PolarHBondContact O-N 2.91Å |
| 164 | G | 91.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 22% | 0.216 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -54.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y69 S160 F162 Y166 L167 E168 | Y69-G164 VanDerWaalsContact OH-CA 3.23Å; Y69-G164 WeakPolarHBondContact OH-CA 3.39Å; Y69-G164 PolarHBondContact OH-N 2.64Å; S160-G164 PolarHBondContact O-N 2.72Å; F162-G164 VanDerWaalsContact C-N 3.3Å; F162-G164 PolarHBondContact O-N 3.08Å; G164-Y166 PolarHBondContact O-N 3.35Å; G164-L167 PolarHBondContact O-N 3.31Å; G164-E168 PolarHBondContact O-N 3Å |
| 165 | V | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -37.6 | -178.7 | 177 | 0 | 0 | 0 | 0 | 111.9 | T99 F102 M103 L106 L107 G161 F162 E168 K169 | T99-V165 HydrophobicContact CG2-CG2 3.88Å; T99-V165 WeakPolarHBondContact O-CG2 3.25Å; F102-V165 HydrophobicContact CB-CB 4.06Å; F102-V165 HydrophobicContact CB-CG1 4.36Å; F102-V165 HydrophobicContact CB-CG2 3.85Å; M103-V165 HydrophobicContact CB-CG2 4.2Å; L106-V165 HydrophobicContact CB-CG1 3.88Å; L106-V165 HydrophobicContact CD1-CB 4.33Å; L106-V165 HydrophobicContact CD1-CG1 4.01Å; L107-V165 HydrophobicContact CD1-CG1 3.72Å; L107-V165 HydrophobicContact CG-CG1 3.9Å; G161-V165 WeakPolarHBondContact O-CG2 3.46Å; G161-V165 PolarHBondContact O-N 2.77Å; G161-V165 VanDerWaalsContact O-N 3.15Å; F162-V165 PolarHBondContact O-N 3.42Å; V165-E168 PolarHBondContact O-N 3.12Å; V165-K169 WeakPolarHBondContact O-CB 3.41Å; V165-K169 PolarHBondContact O-N 2.73Å |
| 166 | Y | 92.7 | Very high | 88.6 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.4 | -171 | -92.2 | 0 | 0 | 0 | 111.4 | Q61 I64 P65 F162 G164 K169 I170 | Q61-Y166 WeakPolarHBondContact O-CE1 3.3Å; I64-Y166 HydrophobicContact CB-CE1 4.18Å; I64-Y166 HydrophobicContact CD1-CE1 4.27Å; I64-Y166 HydrophobicContact CG2-CE1 4.42Å; P65-Y166 HydrophobicContact CG-CD1 4.12Å; F162-Y166 HydrophobicContact CE1-CD2 4.3Å; F162-Y166 HydrophobicContact CE1-CG 4.3Å; F162-Y166 HydrophobicContact CZ-CD2 4.02Å; F162-Y166 HydrophobicContact CZ-CG 4.46Å; F162-Y166 WeakPolarHBondContact O-CB 3.25Å; F162-Y166 PolarHBondContact O-N 3.05Å; G164-Y166 PolarHBondContact O-N 3.35Å; Y166-K169 WeakPolarHBondContact O-CB 3.41Å; Y166-K169 PolarHBondContact O-N 3.47Å; Y166-I170 HydrophobicContact CD1-CD1 3.72Å; Y166-I170 HydrophobicContact CD1-CG1 4.4Å; Y166-I170 HydrophobicContact CE1-CD1 3.5Å; Y166-I170 HydrophobicContact CE1-CG1 4.19Å; Y166-I170 WeakPolarHBondContact O-CG1 3.33Å; Y166-I170 PolarHBondContact O-N 2.9Å; Y166-I170 VanDerWaalsContact O-N 3.09Å |
| 167 | L | 90.7 | Very high | 88.2 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 173.6 | -172.6 | 73.3 | 0 | 0 | 0 | 111.4 | P65 Y69 A163 G164 K169 I170 F171 L185 | P65-L167 HydrophobicContact CB-CB 4.37Å; P65-L167 HydrophobicContact CB-CD1 4.46Å; P65-L167 HydrophobicContact CG-CD1 4.07Å; Y69-L167 HydrophobicContact CE2-CD2 4.24Å; A163-L167 WeakPolarHBondContact O-CB 3.31Å; A163-L167 PolarHBondContact O-N 2.91Å; G164-L167 PolarHBondContact O-N 3.31Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.13Å; L167-I170 PolarHBondContact O-N 3.41Å; L167-F171 HydrophobicContact CD1-CD1 4.28Å; L167-F171 HydrophobicContact CD1-CE1 3.37Å; L167-F171 HydrophobicContact CD1-CZ 3.54Å; L167-F171 HydrophobicContact CD2-CE1 4.36Å; L167-F171 HydrophobicContact CD2-CE2 4.11Å; L167-F171 HydrophobicContact CD2-CZ 3.71Å; L167-F171 HydrophobicContact CG-CD1 4.26Å; L167-F171 HydrophobicContact CG-CE1 3.6Å; L167-F171 HydrophobicContact CG-CE2 4.03Å; L167-F171 HydrophobicContact CG-CZ 3.44Å; L167-F171 VanDerWaalsContact CG-CZ 3.44Å; L167-F171 WeakPolarHBondContact O-CD1 3.35Å; L167-F171 WeakPolarHBondContact O-CG 3.44Å; L167-F171 PolarHBondContact O-N 3.45Å; L167-L185 HydrophobicContact CD1-CD1 4.14Å; L167-L185 HydrophobicContact CD1-CD2 4.18Å; L167-L185 HydrophobicContact CD1-CG 4.41Å; L167-L185 HydrophobicContact CD2-CD1 3.89Å |
| 168 | E | 87.8 | Confident | 87.8 | Confident | 73 Ų | 73 | 45 Ų | 45 | 34% | 0.341 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60 | -40 | 175.5 | -171.6 | -174.9 | 152.1 | 0 | 0 | 111.9 | L107 G164 V165 I170 F171 K172 | L107-E168 HydrophobicContact CD1-CB 4.43Å; L107-E168 HydrophobicContact CD1-CG 4.24Å; G164-E168 PolarHBondContact O-N 3Å; V165-E168 PolarHBondContact O-N 3.12Å; E168-I170 PolarHBondContact O-N 3.32Å; E168-F171 PolarHBondContact O-N 2.93Å; E168-F171 VanDerWaalsContact O-N 3.13Å; E168-K172 PolarHBondContact O-N 3.49Å; E168-K172 WeakPolarHBondContact OE1-CE 3.4Å; E168-K172 IonicContact OE1-NZ 2.64Å; E168-K172 PolarHBondContact OE1-NZ 3.31Å |
| 169 | K | 88.8 | Confident | 87.5 | Confident | 105 Ų | 105 | 43.3 Ų | 43.3 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.6 | -174.6 | 171.4 | -178 | 163.6 | 0 | 112.5 | L106 L107 V165 Y166 L167 F171 | L106-K169 PolarHBondContact O-NZ 3.39Å; L107-K169 HydrophobicContact CD2-CB 3.6Å; L107-K169 HydrophobicContact CD2-CD 4.29Å; L107-K169 HydrophobicContact CD2-CG 3.79Å; L107-K169 HydrophobicContact CG-CB 4.42Å; V165-K169 WeakPolarHBondContact O-CB 3.41Å; V165-K169 PolarHBondContact O-N 2.73Å; Y166-K169 WeakPolarHBondContact O-CB 3.41Å; Y166-K169 PolarHBondContact O-N 3.47Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.13Å; K169-F171 VanDerWaalsContact C-N 3.3Å |
| 170 | I | 86.3 | Confident | 87.3 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.3 | -63.5 | 163.8 | 0 | 0 | 0 | 109.9 | Q61 I62 P65 Y166 L167 E168 G173 T174 | Q61-I170 HydrophobicContact CB-CD1 3.74Å; Q61-I170 HydrophobicContact CB-CG1 4.16Å; I62-I170 HydrophobicContact CG1-CD1 4.27Å; I62-I170 HydrophobicContact CG1-CG2 4.46Å; P65-I170 HydrophobicContact CG-CD1 4.46Å; Y166-I170 HydrophobicContact CD1-CD1 3.72Å; Y166-I170 HydrophobicContact CD1-CG1 4.4Å; Y166-I170 HydrophobicContact CE1-CD1 3.5Å; Y166-I170 HydrophobicContact CE1-CG1 4.19Å; Y166-I170 WeakPolarHBondContact O-CG1 3.33Å; Y166-I170 PolarHBondContact O-N 2.9Å; Y166-I170 VanDerWaalsContact O-N 3.09Å; L167-I170 PolarHBondContact O-N 3.41Å; E168-I170 PolarHBondContact O-N 3.32Å; I170-G173 PolarHBondContact O-N 2.97Å; I170-T174 PolarHBondContact O-OG1 2.86Å |
| 171 | F | 81.5 | Confident | 87.1 | Confident | 47 Ų | 47 | 42 Ų | 42 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | -175.2 | -72.8 | 12.8 | 0 | 0 | 0 | 112.5 | L167 E168 K169 G173 T174 R181 | L167-F171 HydrophobicContact CD1-CD1 4.28Å; L167-F171 HydrophobicContact CD1-CE1 3.37Å; L167-F171 HydrophobicContact CD1-CZ 3.54Å; L167-F171 HydrophobicContact CD2-CE1 4.36Å; L167-F171 HydrophobicContact CD2-CE2 4.11Å; L167-F171 HydrophobicContact CD2-CZ 3.71Å; L167-F171 HydrophobicContact CG-CD1 4.26Å; L167-F171 HydrophobicContact CG-CE1 3.6Å; L167-F171 HydrophobicContact CG-CE2 4.03Å; L167-F171 HydrophobicContact CG-CZ 3.44Å; L167-F171 VanDerWaalsContact CG-CZ 3.44Å; L167-F171 WeakPolarHBondContact O-CD1 3.35Å; L167-F171 WeakPolarHBondContact O-CG 3.44Å; L167-F171 PolarHBondContact O-N 3.45Å; E168-F171 PolarHBondContact O-N 2.93Å; E168-F171 VanDerWaalsContact O-N 3.13Å; K169-F171 VanDerWaalsContact C-N 3.3Å; F171-G173 PolarHBondContact O-N 3.43Å; F171-G173 VanDerWaalsContact O-N 3.09Å; F171-T174 PolarHBondContact O-N 3.46Å; F171-T174 PolarHBondContact O-OG1 3.21Å; F171-R181 HydrophobicContact CD1-CG 3.91Å; F171-R181 HydrophobicContact CE1-CB 3.55Å; F171-R181 HydrophobicContact CE1-CG 3.35Å; F171-R181 HydrophobicContact CE2-CB 3.99Å; F171-R181 HydrophobicContact CE2-CG 4.07Å; F171-R181 HydrophobicContact CZ-CB 3.22Å; F171-R181 HydrophobicContact CZ-CG 3.46Å; F171-R181 VanDerWaalsContact CZ-CG 3.46Å |
| 172 | K | 80.3 | Confident | 86.9 | Confident | 133 Ų | 133 | 43 Ų | 43 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.6 | -24.2 | 179.1 | -78.3 | -179.2 | 179.4 | 168.9 | 0 | 113.8 | L107 E168 | L107-K172 HydrophobicContact CD2-CD 4.37Å; E168-K172 PolarHBondContact O-N 3.49Å; E168-K172 WeakPolarHBondContact OE1-CE 3.4Å; E168-K172 IonicContact OE1-NZ 2.64Å; E168-K172 PolarHBondContact OE1-NZ 3.31Å |
| 173 | G | 71.8 | Confident | 86.9 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 70% | 0.701 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I170 F171 | I170-G173 PolarHBondContact O-N 2.97Å; F171-G173 PolarHBondContact O-N 3.43Å; F171-G173 VanDerWaalsContact O-N 3.09Å |
| 174 | T | 78.2 | Confident | 86.9 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | trans | -141.2 | 146.1 | -165.8 | 62.5 | 0 | 0 | 0 | 0 | 113 | I170 F171 T176 R181 | I170-T174 PolarHBondContact O-OG1 2.86Å; F171-T174 PolarHBondContact O-N 3.46Å; F171-T174 PolarHBondContact O-OG1 3.21Å; T174-T176 VanDerWaalsContact C-N 3.27Å; T174-T176 PolarHBondContact O-N 2.94Å; T174-R181 VanDerWaalsContact CG2-NH2 3.28Å; T174-R181 PolarHBondContact OG1-NH2 3.29Å | ||
| 175 | S | 76.2 | Confident | 87 | Confident | 132 Ų | 132 | 40.3 Ų | 40.3 | 92% | 0.923 | 23% | 0.225 | S | C | * | . | trans | -91.9 | 26.3 | 177 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 176 | T | 83.3 | Confident | 87.1 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | trans | -77.4 | 140.6 | -176.1 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | Q51 T174 M180 R181 | Q51-T176 HydrophobicContact CG-CG2 4.09Å; Q51-T176 PolarHBondContact OE1-OG1 3.28Å; T174-T176 VanDerWaalsContact C-N 3.27Å; T174-T176 PolarHBondContact O-N 2.94Å; T176-M180 HydrophobicContact CG2-CB 3.71Å; T176-M180 HydrophobicContact CG2-CG 3.63Å; T176-R181 VanDerWaalsContact CB-NE 3.35Å; T176-R181 HydrophobicContact CG2-CG 3.99Å; T176-R181 PolarHBondContact OG1-NH2 3.04Å; T176-R181 VanDerWaalsContact OG1-NH2 3.14Å | ||
| 177 | S | 87 | Confident | 87.2 | Confident | 28 Ų | 28 | 41 Ų | 41 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | trans | -65.7 | 145.9 | 179.4 | 77.1 | 0 | 0 | 0 | 0 | 111.7 | W179 M180 R181 | S177-W179 PolarHBondContact O-N 3.45Å; S177-M180 WeakPolarHBondContact O-CB 3.45Å; S177-M180 PolarHBondContact O-N 3.45Å; S177-M180 WeakPolarHBondContact OG-CB 3.42Å; S177-M180 PolarHBondContact OG-N 2.91Å; S177-M180 VanDerWaalsContact OG-N 3.17Å; S177-R181 PolarHBondContact O-N 2.9Å | ||
| 178 | I | 86.1 | Confident | 87.4 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -33.4 | 179.3 | -69.4 | 163.4 | 0 | 0 | 0 | 111.5 | R181 N182 A233 R237 | I178-R181 PolarHBondContact O-N 3.09Å; I178-N182 PolarHBondContact O-N 3.46Å; I178-N182 PolarHBondContact O-ND2 3.44Å; I178-A233 HydrophobicContact CG2-CB 3.54Å; I178-R237 HydrophobicContact CD1-CB 3.38Å; I178-R237 HydrophobicContact CD1-CG 3.62Å |
| 179 | W | 89.8 | Confident | 87.8 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 11% | 0.106 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 174.7 | -47 | 125.5 | 0 | 0 | 0 | 111.7 | L33 I34 Q37 S177 R181 N182 L183 L230 F234 | L33-W179 HydrophobicContact CB-CD2 4.07Å; L33-W179 HydrophobicContact CB-CE3 4.37Å; L33-W179 HydrophobicContact CB-CG 4.15Å; L33-W179 HydrophobicContact CD1-CD2 3.96Å; L33-W179 HydrophobicContact CD1-CE3 3.51Å; L33-W179 HydrophobicContact CD1-CH2 3.78Å; L33-W179 HydrophobicContact CD1-CZ2 4.19Å; L33-W179 HydrophobicContact CD1-CZ3 3.43Å; L33-W179 VanDerWaalsContact CD1-CZ3 3.43Å; I34-W179 HydrophobicContact CD1-CB 4.36Å; I34-W179 HydrophobicContact CG1-CB 3.7Å; Q37-W179 VanDerWaalsContact OE1-NE1 3.17Å; S177-W179 PolarHBondContact O-N 3.45Å; W179-R181 VanDerWaalsContact C-N 3.3Å; W179-R181 PolarHBondContact O-N 3.02Å; W179-N182 PolarHBondContact O-N 3.39Å; W179-L183 WeakPolarHBondContact O-CB 3.27Å; W179-L183 PolarHBondContact O-N 3.11Å; W179-L230 HydrophobicContact CZ3-CD2 4.33Å; W179-F234 HydrophobicContact CH2-CB 4.38Å; W179-F234 AromaticContact CH2-CD2 3.97Å; W179-F234 HydrophobicContact CH2-CD2 3.97Å; W179-F234 HydrophobicContact CZ2-CD2 4.08Å |
| 180 | M | 91 | Very high | 88.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 176 | -175 | 66.4 | 73.3 | 0 | 0 | 111.5 | I34 S47 I48 Q51 T176 S177 L183 Q184 | I34-M180 HydrophobicContact CD1-CB 4.33Å; I34-M180 HydrophobicContact CD1-CE 4.19Å; I34-M180 HydrophobicContact CD1-SD 4.1Å; I34-M180 HydrophobicContact CG2-CE 4.32Å; S47-M180 WeakPolarHBondContact OG-CE 3.46Å; I48-M180 HydrophobicContact CB-CE 4.41Å; I48-M180 HydrophobicContact CG1-CE 3.77Å; I48-M180 HydrophobicContact CG1-SD 4.11Å; Q51-M180 HydrophobicContact CB-CE 4.38Å; Q51-M180 HydrophobicContact CB-CG 3.92Å; Q51-M180 HydrophobicContact CB-SD 3.89Å; Q51-M180 HydrophobicContact CG-CG 3.48Å; Q51-M180 VanDerWaalsContact CG-CG 3.48Å; Q51-M180 HydrophobicContact CG-SD 4.02Å; T176-M180 HydrophobicContact CG2-CB 3.71Å; T176-M180 HydrophobicContact CG2-CG 3.63Å; S177-M180 WeakPolarHBondContact O-CB 3.45Å; S177-M180 PolarHBondContact O-N 3.45Å; S177-M180 WeakPolarHBondContact OG-CB 3.42Å; S177-M180 PolarHBondContact OG-N 2.91Å; S177-M180 VanDerWaalsContact OG-N 3.17Å; M180-L183 WeakPolarHBondContact O-CB 3.45Å; M180-L183 PolarHBondContact O-N 3.43Å; M180-L183 HydrophobicContact SD-CD2 4.4Å; M180-Q184 WeakPolarHBondContact O-CG 3.29Å; M180-Q184 PolarHBondContact O-N 2.72Å |
| 181 | R | 89.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 174.8 | -61.9 | -57.5 | -165.4 | -168.4 | -1.6 | 113 | D58 F171 T174 T176 S177 I178 W179 L183 Q184 L185 | D58-R181 IonicContact OD2-CZ 2.72Å; D58-R181 IonicContact OD2-NH1 2.86Å; D58-R181 PolarHBondContact OD2-NH1 2.9Å; D58-R181 IonicContact OD2-NH2 2.68Å; D58-R181 PolarHBondContact OD2-NH2 3.46Å; F171-R181 HydrophobicContact CD1-CG 3.91Å; F171-R181 HydrophobicContact CE1-CB 3.55Å; F171-R181 HydrophobicContact CE1-CG 3.35Å; F171-R181 HydrophobicContact CE2-CB 3.99Å; F171-R181 HydrophobicContact CE2-CG 4.07Å; F171-R181 HydrophobicContact CZ-CB 3.22Å; F171-R181 HydrophobicContact CZ-CG 3.46Å; F171-R181 VanDerWaalsContact CZ-CG 3.46Å; T174-R181 VanDerWaalsContact CG2-NH2 3.28Å; T174-R181 PolarHBondContact OG1-NH2 3.29Å; T176-R181 VanDerWaalsContact CB-NE 3.35Å; T176-R181 HydrophobicContact CG2-CG 3.99Å; T176-R181 PolarHBondContact OG1-NH2 3.04Å; T176-R181 VanDerWaalsContact OG1-NH2 3.14Å; S177-R181 PolarHBondContact O-N 2.9Å; I178-R181 PolarHBondContact O-N 3.09Å; W179-R181 VanDerWaalsContact C-N 3.3Å; W179-R181 PolarHBondContact O-N 3.02Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 3.38Å; R181-Q184 PolarHBondContact O-N 3.24Å; R181-L185 WeakPolarHBondContact O-CG 3.18Å; R181-L185 PolarHBondContact O-N 2.92Å |
| 182 | N | 91.6 | Very high | 89.4 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | 173 | -82.1 | -77.8 | 0 | 0 | 0 | 112 | S30 I178 W179 L185 G186 L230 A233 | S30-N182 VanDerWaalsContact OG-CB 3.27Å; S30-N182 WeakPolarHBondContact OG-CB 3.35Å; I178-N182 PolarHBondContact O-N 3.46Å; I178-N182 PolarHBondContact O-ND2 3.44Å; W179-N182 PolarHBondContact O-N 3.39Å; N182-L185 PolarHBondContact O-N 3.3Å; N182-G186 PolarHBondContact O-N 2.95Å; N182-L230 HydrophobicContact CB-CD2 4.22Å; N182-A233 WeakPolarHBondContact ND2-CB 3.44Å |
| 183 | L | 94.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 171.7 | 178.2 | 153.7 | 0 | 0 | 0 | 110.9 | L27 T31 I34 I48 I52 W179 M180 R181 L185 G186 L187 | L27-L183 HydrophobicContact CD1-CG 4.04Å; L27-L183 WeakPolarHBondContact CD1-O 3.38Å; T31-L183 WeakPolarHBondContact OG1-CD1 3.26Å; I34-L183 HydrophobicContact CD1-CB 3.91Å; I34-L183 HydrophobicContact CD1-CD1 3.48Å; I34-L183 VanDerWaalsContact CD1-CD1 3.48Å; I34-L183 HydrophobicContact CD1-CG 4.3Å; I48-L183 HydrophobicContact CD1-CD1 4Å; I48-L183 HydrophobicContact CG1-CD1 4.22Å; I52-L183 HydrophobicContact CD1-CD2 4Å; I52-L183 HydrophobicContact CG1-CD2 4.43Å; W179-L183 WeakPolarHBondContact O-CB 3.27Å; W179-L183 PolarHBondContact O-N 3.11Å; M180-L183 WeakPolarHBondContact O-CB 3.45Å; M180-L183 PolarHBondContact O-N 3.43Å; M180-L183 HydrophobicContact SD-CD2 4.4Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 3.38Å; L183-L185 PolarHBondContact O-N 2.76Å; L183-G186 PolarHBondContact O-N 3.49Å; L183-L187 HydrophobicContact CD2-CD1 3.43Å; L183-L187 VanDerWaalsContact CD2-CD1 3.43Å; L183-L187 HydrophobicContact CD2-CG 3.97Å; L183-L187 HydrophobicContact CG-CD1 4.36Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 WeakPolarHBondContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.46Å; L183-L187 PolarHBondContact O-N 2.85Å |
| 184 | Q | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.3 | -67.9 | 178.5 | -59.2 | 0 | 0 | 111.9 | Q51 M59 I62 M180 R181 G186 L187 L188 | Q51-Q184 PolarHBondContact O-NE2 3.44Å; M59-Q184 HydrophobicContact CE-CB 4.06Å; M59-Q184 HydrophobicContact CE-CG 3.64Å; M59-Q184 HydrophobicContact SD-CB 3.79Å; M59-Q184 HydrophobicContact SD-CG 3.72Å; I62-Q184 HydrophobicContact CD1-CB 3.97Å; I62-Q184 HydrophobicContact CD1-CG 4.38Å; I62-Q184 HydrophobicContact CG2-CB 4.19Å; M180-Q184 WeakPolarHBondContact O-CG 3.29Å; M180-Q184 PolarHBondContact O-N 2.72Å; R181-Q184 PolarHBondContact O-N 3.24Å; Q184-G186 VanDerWaalsContact C-N 3.34Å; Q184-G186 PolarHBondContact O-N 2.94Å; Q184-L187 PolarHBondContact O-N 3.1Å; Q184-L188 WeakPolarHBondContact O-CG 3.3Å; Q184-L188 PolarHBondContact O-N 2.82Å; Q184-L188 VanDerWaalsContact O-N 3.12Å |
| 185 | L | 93.4 | Very high | 92 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 175.7 | -77.8 | 170 | 0 | 0 | 0 | 112 | I62 S66 Y69 L167 R181 N182 L183 G189 | I62-L185 HydrophobicContact CG2-CD2 3.66Å; I62-L185 HydrophobicContact CG2-CG 3.98Å; S66-L185 PolarHBondContact OG-O 2.75Å; S66-L185 VanDerWaalsContact OG-O 3.05Å; Y69-L185 HydrophobicContact CD2-CD2 4.31Å; L167-L185 HydrophobicContact CD1-CD1 4.14Å; L167-L185 HydrophobicContact CD1-CD2 4.18Å; L167-L185 HydrophobicContact CD1-CG 4.41Å; L167-L185 HydrophobicContact CD2-CD1 3.89Å; R181-L185 WeakPolarHBondContact O-CG 3.18Å; R181-L185 PolarHBondContact O-N 2.92Å; N182-L185 PolarHBondContact O-N 3.3Å; L183-L185 PolarHBondContact O-N 2.76Å; L185-G189 VanDerWaalsContact O-CA 3.3Å; L185-G189 WeakPolarHBondContact O-CA 3.48Å; L185-G189 PolarHBondContact O-N 3.3Å |
| 186 | G | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | N182 L183 Q184 L188 G189 V190 | N182-G186 PolarHBondContact O-N 2.95Å; L183-G186 PolarHBondContact O-N 3.49Å; Q184-G186 VanDerWaalsContact C-N 3.34Å; Q184-G186 PolarHBondContact O-N 2.94Å; G186-L188 VanDerWaalsContact C-N 3.31Å; G186-L188 PolarHBondContact O-N 3.15Å; G186-G189 PolarHBondContact O-N 3.44Å; G186-V190 WeakPolarHBondContact O-CB 3.27Å; G186-V190 WeakPolarHBondContact O-CG2 3.39Å; G186-V190 PolarHBondContact O-N 2.95Å |
| 187 | L | 95.5 | Very high | 93.2 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 35% | 0.346 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.7 | -36.9 | 178.4 | -81.5 | -177 | 0 | 0 | 0 | 112.2 | L27 I52 M59 L183 Q184 P191 | L27-L187 HydrophobicContact CD1-CB 4.41Å; L27-L187 HydrophobicContact CD1-CD2 3.73Å; L27-L187 HydrophobicContact CD1-CG 3.64Å; L27-L187 HydrophobicContact CD2-CD2 4.01Å; L27-L187 HydrophobicContact CG-CD2 4.49Å; I52-L187 HydrophobicContact CD1-CD1 3.32Å; I52-L187 HydrophobicContact CG1-CD1 4.11Å; M59-L187 HydrophobicContact CE-CD1 4.37Å; L183-L187 HydrophobicContact CD2-CD1 3.43Å; L183-L187 VanDerWaalsContact CD2-CD1 3.43Å; L183-L187 HydrophobicContact CD2-CG 3.97Å; L183-L187 HydrophobicContact CG-CD1 4.36Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 WeakPolarHBondContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.46Å; L183-L187 PolarHBondContact O-N 2.85Å; Q184-L187 PolarHBondContact O-N 3.1Å; L187-P191 WeakPolarHBondContact O-CD 3.09Å; L187-P191 WeakPolarHBondContact O-CG 3.23Å |
| 188 | L | 95.5 | Very high | 93.5 | Very high | 40 Ų | 40 | 34 Ų | 34 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -83 | -37.2 | 174.2 | -62.9 | 175.8 | 0 | 0 | 0 | 111.2 | M59 I62 L63 Q184 G186 P191 I192 | M59-L188 WeakPolarHBondContact O-CD1 3.23Å; M59-L188 HydrophobicContact SD-CD1 4.07Å; M59-L188 HydrophobicContact SD-CG 4.43Å; I62-L188 HydrophobicContact CB-CD1 4.33Å; I62-L188 HydrophobicContact CG2-CD1 4.1Å; L63-L188 HydrophobicContact CB-CD1 4.13Å; L63-L188 HydrophobicContact CD1-CB 4.38Å; L63-L188 HydrophobicContact CD1-CD1 4.29Å; L63-L188 HydrophobicContact CD1-CD2 4.2Å; Q184-L188 WeakPolarHBondContact O-CG 3.3Å; Q184-L188 PolarHBondContact O-N 2.82Å; Q184-L188 VanDerWaalsContact O-N 3.12Å; G186-L188 VanDerWaalsContact C-N 3.31Å; G186-L188 PolarHBondContact O-N 3.15Å; L188-P191 WeakPolarHBondContact O-CD 3.06Å; L188-I192 HydrophobicContact CB-CD1 4.39Å; L188-I192 WeakPolarHBondContact O-CB 3.29Å; L188-I192 VanDerWaalsContact O-CD1 3.25Å; L188-I192 WeakPolarHBondContact O-CD1 3.37Å; L188-I192 WeakPolarHBondContact O-CG1 3.23Å; L188-I192 PolarHBondContact O-N 3.19Å |
| 189 | G | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.6 | -36.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S66 I70 L185 G186 G193 | S66-G189 VanDerWaalsContact OG-CA 3.25Å; S66-G189 WeakPolarHBondContact OG-CA 3.35Å; S66-G189 PolarHBondContact OG-N 2.83Å; S66-G189 VanDerWaalsContact OG-N 3.08Å; I70-G189 WeakPolarHBondContact CD1-O 3.38Å; L185-G189 VanDerWaalsContact O-CA 3.3Å; L185-G189 WeakPolarHBondContact O-CA 3.48Å; L185-G189 PolarHBondContact O-N 3.3Å; G186-G189 PolarHBondContact O-N 3.44Å; G189-G193 WeakPolarHBondContact O-CA 3.38Å; G189-G193 PolarHBondContact O-N 3.31Å |
| 190 | V | 96.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -52.7 | 178.8 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | E23 F24 L27 G186 I192 G193 L194 | E23-V190 HydrophobicContact CB-CG2 3.93Å; F24-V190 HydrophobicContact CB-CG2 3.94Å; F24-V190 HydrophobicContact CD2-CG2 4.4Å; L27-V190 HydrophobicContact CD2-CG2 4.4Å; G186-V190 WeakPolarHBondContact O-CB 3.27Å; G186-V190 WeakPolarHBondContact O-CG2 3.39Å; G186-V190 PolarHBondContact O-N 2.95Å; V190-I192 PolarHBondContact O-N 2.81Å; V190-G193 PolarHBondContact O-N 2.81Å; V190-L194 HydrophobicContact CG1-CD1 4.07Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.39Å; V190-L194 PolarHBondContact O-N 3.37Å |
| 191 | P | 96.5 | Very high | 93.4 | Very high | 74 Ų | 74 | 42 Ų | 42 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 174.2 | -25.5 | 34.2 | 0 | 0 | 0 | 113.5 | L187 L188 G193 L194 F195 | L187-P191 WeakPolarHBondContact O-CD 3.09Å; L187-P191 WeakPolarHBondContact O-CG 3.23Å; L188-P191 WeakPolarHBondContact O-CD 3.06Å; P191-G193 VanDerWaalsContact C-N 3.33Å; P191-G193 PolarHBondContact O-N 2.93Å; P191-L194 PolarHBondContact O-N 3.45Å; P191-F195 WeakPolarHBondContact O-CB 3.44Å; P191-F195 PolarHBondContact O-N 3.31Å |
| 192 | I | 95.9 | Very high | 93.3 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 178.5 | -67 | 165.1 | 0 | 0 | 0 | 110.8 | L63 T67 I70 L188 V190 F195 G196 | L63-I192 HydrophobicContact CD1-CD1 3.57Å; T67-I192 HydrophobicContact CG2-CG2 4.24Å; T67-I192 VanDerWaalsContact OG1-CD1 3.27Å; T67-I192 WeakPolarHBondContact OG1-CD1 3.42Å; I70-I192 HydrophobicContact CB-CG2 4.23Å; I70-I192 HydrophobicContact CG1-CB 4.42Å; I70-I192 HydrophobicContact CG1-CG2 4.12Å; I70-I192 HydrophobicContact CG2-CG2 4.29Å; L188-I192 HydrophobicContact CB-CD1 4.39Å; L188-I192 WeakPolarHBondContact O-CB 3.29Å; L188-I192 VanDerWaalsContact O-CD1 3.25Å; L188-I192 WeakPolarHBondContact O-CD1 3.37Å; L188-I192 WeakPolarHBondContact O-CG1 3.23Å; L188-I192 PolarHBondContact O-N 3.19Å; V190-I192 PolarHBondContact O-N 2.81Å; I192-F195 WeakPolarHBondContact O-CB 3.25Å; I192-F195 PolarHBondContact O-N 3.14Å; I192-G196 PolarHBondContact O-N 3.3Å |
| 193 | G | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V20 G189 V190 P191 F195 G196 V197 | V20-G193 WeakPolarHBondContact CG2-O 3.33Å; G189-G193 WeakPolarHBondContact O-CA 3.38Å; G189-G193 PolarHBondContact O-N 3.31Å; V190-G193 PolarHBondContact O-N 2.81Å; P191-G193 VanDerWaalsContact C-N 3.33Å; P191-G193 PolarHBondContact O-N 2.93Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.31Å; G193-G196 CarbonylContact O-C 3.6Å; G193-G196 WeakPolarHBondContact O-CA 3.17Å; G193-G196 PolarHBondContact O-N 2.79Å; G193-V197 WeakPolarHBondContact O-CG2 3.46Å; G193-V197 PolarHBondContact O-N 2.95Å |
| 194 | L | 95.7 | Very high | 92.6 | Very high | 81 Ų | 81 | 51.8 Ų | 51.8 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 174.6 | -75.7 | 171.2 | 0 | 0 | 0 | 111.7 | V20 V190 P191 G196 V197 F198 F210 | V20-L194 HydrophobicContact CG1-CD2 3.78Å; V20-L194 HydrophobicContact CG1-CG 3.92Å; V20-L194 HydrophobicContact CG2-CD2 4.48Å; V20-L194 HydrophobicContact CG2-CG 4.45Å; V190-L194 HydrophobicContact CG1-CD1 4.07Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.39Å; V190-L194 PolarHBondContact O-N 3.37Å; P191-L194 PolarHBondContact O-N 3.45Å; L194-G196 VanDerWaalsContact C-N 3.32Å; L194-V197 WeakPolarHBondContact O-CB 3.4Å; L194-V197 PolarHBondContact O-N 2.86Å; L194-F198 PolarHBondContact O-N 3.36Å; L194-F210 HydrophobicContact CD2-CE2 4.04Å; L194-F210 HydrophobicContact CD2-CZ 4.41Å |
| 195 | F | 95.1 | Very high | 92.4 | Very high | 127 Ų | 127 | 53.4 Ų | 53.4 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 171.7 | -175.4 | -108.7 | 0 | 0 | 0 | 111.7 | P191 I192 G193 V197 F198 I199 | P191-F195 WeakPolarHBondContact O-CB 3.44Å; P191-F195 PolarHBondContact O-N 3.31Å; I192-F195 WeakPolarHBondContact O-CB 3.25Å; I192-F195 PolarHBondContact O-N 3.14Å; G193-F195 VanDerWaalsContact C-N 3.29Å; G193-F195 PolarHBondContact O-N 3.31Å; F195-V197 PolarHBondContact O-N 3.17Å; F195-F198 WeakPolarHBondContact O-CB 3.15Å; F195-F198 PolarHBondContact O-N 2.92Å; F195-I199 HydrophobicContact CD1-CD1 3.8Å; F195-I199 HydrophobicContact CE1-CD1 3.27Å; F195-I199 HydrophobicContact CE1-CG1 4.29Å; F195-I199 HydrophobicContact CE2-CD1 4.34Å; F195-I199 HydrophobicContact CZ-CD1 3.59Å; F195-I199 HydrophobicContact CZ-CG1 4.29Å; F195-I199 PolarHBondContact O-N 3.03Å |
| 196 | G | 92.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I192 G193 L194 F198 I199 N200 | I192-G196 PolarHBondContact O-N 3.3Å; G193-G196 CarbonylContact O-C 3.6Å; G193-G196 WeakPolarHBondContact O-CA 3.17Å; G193-G196 PolarHBondContact O-N 2.79Å; L194-G196 VanDerWaalsContact C-N 3.32Å; G196-F198 VanDerWaalsContact C-N 3.34Å; G196-I199 PolarHBondContact O-N 3.37Å; G196-N200 PolarHBondContact O-N 2.86Å; G196-N200 PolarHBondContact O-ND2 3.48Å |
| 197 | V | 93 | Very high | 91.9 | Very high | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 172.7 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | S16 T17 V20 G193 L194 F195 I199 N200 D201 A202 V205 F210 | S16-V197 WeakPolarHBondContact OG-CG2 3.31Å; T17-V197 HydrophobicContact CG2-CG1 3.92Å; T17-V197 HydrophobicContact CG2-CG2 4.08Å; V20-V197 HydrophobicContact CG2-CG2 3.78Å; G193-V197 WeakPolarHBondContact O-CG2 3.46Å; G193-V197 PolarHBondContact O-N 2.95Å; L194-V197 WeakPolarHBondContact O-CB 3.4Å; L194-V197 PolarHBondContact O-N 2.86Å; F195-V197 PolarHBondContact O-N 3.17Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 3.46Å; V197-N200 PolarHBondContact O-N 3.32Å; V197-D201 CarbonylContact O-C 3.51Å; V197-D201 WeakPolarHBondContact O-CA 3.34Å; V197-D201 PolarHBondContact O-N 2.76Å; V197-A202 PolarHBondContact O-N 3.06Å; V197-A202 VanDerWaalsContact O-N 3.09Å; V197-V205 HydrophobicContact CG1-CG2 3.74Å; V197-F210 HydrophobicContact CG1-CE2 4.21Å; V197-F210 HydrophobicContact CG2-CE2 4.39Å |
| 198 | F | 92.4 | Very high | 91.4 | Very high | 147 Ų | 147 | 67.8 Ų | 67.8 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.6 | -36.7 | 178.4 | -177.3 | -96.9 | 0 | 0 | 0 | 112.7 | L194 F195 G196 A202 | L194-F198 PolarHBondContact O-N 3.36Å; F195-F198 WeakPolarHBondContact O-CB 3.15Å; F195-F198 PolarHBondContact O-N 2.92Å; G196-F198 VanDerWaalsContact C-N 3.34Å; F198-A202 HydrophobicContact CD2-CB 4.32Å; F198-A202 WeakPolarHBondContact O-CB 3.4Å |
| 199 | I | 90.7 | Very high | 91.1 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 55% | 0.549 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.9 | -46.3 | 177.9 | -69.4 | 174.3 | 0 | 0 | 0 | 111.8 | F195 G196 V197 | F195-I199 HydrophobicContact CD1-CD1 3.8Å; F195-I199 HydrophobicContact CE1-CD1 3.27Å; F195-I199 HydrophobicContact CE1-CG1 4.29Å; F195-I199 HydrophobicContact CE2-CD1 4.34Å; F195-I199 HydrophobicContact CZ-CD1 3.59Å; F195-I199 HydrophobicContact CZ-CG1 4.29Å; F195-I199 PolarHBondContact O-N 3.03Å; G196-I199 PolarHBondContact O-N 3.37Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 3.46Å |
| 200 | N | 86 | Confident | 90.8 | Very high | 108 Ų | 108 | 69.7 Ų | 69.7 | 58% | 0.578 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -94.2 | -32.6 | -166.8 | -64.8 | -73.2 | 0 | 0 | 0 | 113.9 | G196 V197 | G196-N200 PolarHBondContact O-N 2.86Å; G196-N200 PolarHBondContact O-ND2 3.48Å; V197-N200 PolarHBondContact O-N 3.32Å |
| 201 | D | 87.4 | Confident | 90.4 | Very high | 15 Ų | 15 | 74.2 Ų | 74.2 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -132.1 | 15.5 | -170 | -68.6 | -61.5 | 0 | 0 | 0 | 113 | S14 S16 V197 S203 K204 V205 | S14-D201 VanDerWaalsContact OG-CG 3.23Å; S14-D201 PolarHBondContact OG-OD2 2.96Å; S16-D201 PolarHBondContact OG-OD2 2.93Å; V197-D201 CarbonylContact O-C 3.51Å; V197-D201 WeakPolarHBondContact O-CA 3.34Å; V197-D201 PolarHBondContact O-N 2.76Å; D201-S203 VanDerWaalsContact C-N 3.28Å; D201-S203 PolarHBondContact O-N 3.04Å; D201-K204 PolarHBondContact O-N 3.28Å; D201-K204 VanDerWaalsContact O-N 3.15Å; D201-K204 IonicContact OD1-NZ 2.93Å; D201-K204 PolarHBondContact OD1-NZ 3.34Å; D201-V205 HydrophobicContact CB-CG2 4.35Å; D201-V205 WeakPolarHBondContact O-CB 3.46Å; D201-V205 WeakPolarHBondContact O-CG2 3.41Å; D201-V205 PolarHBondContact O-N 3.2Å |
| 202 | A | 88 | Confident | 89.9 | Confident | 36 Ų | 36 | 75 Ų | 75 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.1 | -41.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V197 F198 K206 | V197-A202 PolarHBondContact O-N 3.06Å; V197-A202 VanDerWaalsContact O-N 3.09Å; F198-A202 HydrophobicContact CD2-CB 4.32Å; F198-A202 WeakPolarHBondContact O-CB 3.4Å; A202-K206 WeakPolarHBondContact O-CB 3.47Å; A202-K206 PolarHBondContact O-N 3.45Å |
| 203 | S | 87.4 | Confident | 89.4 | Confident | 84 Ų | 84 | 73.4 Ų | 73.4 | 59% | 0.587 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.3 | -51.4 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | D201 K206 T207 | D201-S203 VanDerWaalsContact C-N 3.28Å; D201-S203 PolarHBondContact O-N 3.04Å; S203-K206 PolarHBondContact O-N 3.5Å; S203-T207 WeakPolarHBondContact O-CG2 3.41Å; S203-T207 PolarHBondContact O-N 3.09Å; S203-T207 PolarHBondContact O-OG1 3.41Å |
| 204 | K | 84.3 | Confident | 89.1 | Confident | 110 Ų | 110 | 74.9 Ų | 74.9 | 48% | 0.478 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.6 | -62.6 | -177.7 | -164.1 | 149.4 | 0 | 112 | D201 K206 T207 L208 | D201-K204 PolarHBondContact O-N 3.28Å; D201-K204 VanDerWaalsContact O-N 3.15Å; D201-K204 IonicContact OD1-NZ 2.93Å; D201-K204 PolarHBondContact OD1-NZ 3.34Å; K204-K206 VanDerWaalsContact C-N 3.32Å; K204-K206 PolarHBondContact O-N 3.27Å; K204-T207 PolarHBondContact O-N 3.49Å; K204-T207 PolarHBondContact O-OG1 3.1Å; K204-L208 VanDerWaalsContact O-CB 3.29Å; K204-L208 WeakPolarHBondContact O-CB 3.01Å; K204-L208 PolarHBondContact O-N 3.41Å |
| 205 | V | 88.4 | Confident | 88.9 | Confident | 34 Ų | 34 | 74 Ų | 74 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 179.9 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | T17 V197 D201 G209 F210 | T17-V205 HydrophobicContact CG2-CG2 4.05Å; V197-V205 HydrophobicContact CG1-CG2 3.74Å; D201-V205 HydrophobicContact CB-CG2 4.35Å; D201-V205 WeakPolarHBondContact O-CB 3.46Å; D201-V205 WeakPolarHBondContact O-CG2 3.41Å; D201-V205 PolarHBondContact O-N 3.2Å; V205-G209 CarbonylContact O-C 3.36Å; V205-G209 WeakPolarHBondContact O-CA 3.34Å; V205-G209 PolarHBondContact O-N 2.88Å; V205-F210 HydrophobicContact CG1-CB 4.11Å; V205-F210 HydrophobicContact CG1-CD2 4.11Å |
| 206 | K | 88 | Confident | 88.7 | Confident | 192 Ų | 192 | 72.9 Ų | 72.9 | 84% | 0.835 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -71 | -38.1 | 177.4 | -173.3 | 178.7 | 179.4 | -177.3 | 0 | 112.4 | A202 S203 K204 | A202-K206 WeakPolarHBondContact O-CB 3.47Å; A202-K206 PolarHBondContact O-N 3.45Å; S203-K206 PolarHBondContact O-N 3.5Å; K204-K206 VanDerWaalsContact C-N 3.32Å; K204-K206 PolarHBondContact O-N 3.27Å |
| 207 | T | 89.1 | Confident | 88.5 | Confident | 108 Ų | 108 | 78 Ų | 78 | 66% | 0.663 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -85.5 | -35.4 | -176.9 | 55 | 0 | 0 | 0 | 0 | 113.5 | S203 K204 | S203-T207 WeakPolarHBondContact O-CG2 3.41Å; S203-T207 PolarHBondContact O-N 3.09Å; S203-T207 PolarHBondContact O-OG1 3.41Å; K204-T207 PolarHBondContact O-N 3.49Å; K204-T207 PolarHBondContact O-OG1 3.1Å |
| 208 | L | 87.1 | Confident | 88.4 | Confident | 85 Ų | 85 | 78 Ų | 78 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -112.5 | -15.9 | -171.5 | -57.9 | 168.6 | 0 | 0 | 0 | 113.1 | K204 Y212 | K204-L208 VanDerWaalsContact O-CB 3.29Å; K204-L208 WeakPolarHBondContact O-CB 3.01Å; K204-L208 PolarHBondContact O-N 3.41Å; L208-Y212 HydrophobicContact CB-CD1 3.89Å; L208-Y212 HydrophobicContact CB-CD2 3.77Å; L208-Y212 HydrophobicContact CB-CE1 4.44Å; L208-Y212 HydrophobicContact CB-CE2 4.35Å; L208-Y212 HydrophobicContact CB-CG 3.51Å; L208-Y212 HydrophobicContact CD1-CD1 3.69Å; L208-Y212 HydrophobicContact CD1-CE1 3.7Å; L208-Y212 HydrophobicContact CD1-CG 4.22Å; L208-Y212 HydrophobicContact CD2-CD2 4.42Å; L208-Y212 HydrophobicContact CD2-CE1 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 4.18Å; L208-Y212 HydrophobicContact CG-CD1 4.29Å; L208-Y212 HydrophobicContact CG-CE1 4.41Å; L208-Y212 HydrophobicContact CG-CG 4.33Å |
| 209 | G | 88.3 | Confident | 88.5 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | trans | 96.1 | 159.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V205 F211 Y212 | V205-G209 CarbonylContact O-C 3.36Å; V205-G209 WeakPolarHBondContact O-CA 3.34Å; V205-G209 PolarHBondContact O-N 2.88Å; G209-F211 VanDerWaalsContact C-N 3.34Å; G209-F211 PolarHBondContact O-N 3.35Å; G209-Y212 PolarHBondContact O-N 3.22Å | ||
| 210 | F | 88.9 | Confident | 88.7 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 21% | 0.211 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -34.5 | -177 | -173.3 | -88.7 | 0 | 0 | 0 | 113.4 | T17 V20 L194 V197 V205 | T17-F210 HydrophobicContact CG2-CD1 4.43Å; T17-F210 HydrophobicContact CG2-CD2 3.88Å; T17-F210 HydrophobicContact CG2-CE1 4.26Å; T17-F210 HydrophobicContact CG2-CE2 3.69Å; T17-F210 HydrophobicContact CG2-CG 4.26Å; T17-F210 HydrophobicContact CG2-CZ 3.89Å; V20-F210 HydrophobicContact CB-CZ 4.3Å; V20-F210 HydrophobicContact CG1-CZ 4.13Å; L194-F210 HydrophobicContact CD2-CE2 4.04Å; L194-F210 HydrophobicContact CD2-CZ 4.41Å; V197-F210 HydrophobicContact CG1-CE2 4.21Å; V197-F210 HydrophobicContact CG2-CE2 4.39Å; V205-F210 HydrophobicContact CG1-CB 4.11Å; V205-F210 HydrophobicContact CG1-CD2 4.11Å |
| 211 | F | 89.9 | Confident | 89 | Confident | 113 Ų | 113 | 73 Ų | 73 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 20.7 | -177.6 | -59.2 | -74.7 | 0 | 0 | 0 | 113.1 | G209 G213 Y214 W219 | G209-F211 VanDerWaalsContact C-N 3.34Å; G209-F211 PolarHBondContact O-N 3.35Å; F211-G213 PolarHBondContact O-N 3.5Å; F211-Y214 HydrophobicContact CB-CD2 4.25Å; F211-Y214 HydrophobicContact CB-CG 4.27Å; F211-Y214 HydrophobicContact CD1-CD1 4.09Å; F211-Y214 AromaticContact CD1-CE1 3.99Å; F211-Y214 HydrophobicContact CD1-CE1 3.99Å; F211-Y214 HydrophobicContact CD1-CE2 4.43Å; F211-Y214 HydrophobicContact CD1-CG 4.32Å; F211-Y214 WeakPolarHBondContact O-CB 3.42Å; F211-Y214 WeakPolarHBondContact O-CD2 3.32Å; F211-Y214 PolarHBondContact O-N 3.41Å; F211-W219 HydrophobicContact CD1-CH2 4.36Å; F211-W219 HydrophobicContact CD1-CZ2 4.1Å; F211-W219 AromaticContact CE1-CH2 3.98Å; F211-W219 HydrophobicContact CE1-CH2 3.98Å; F211-W219 HydrophobicContact CE1-CZ2 4.15Å |
| 212 | Y | 85.4 | Confident | 89.3 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 35% | 0.353 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 134.4 | 177.1 | -175.3 | -102.9 | 0 | 0 | 0 | 111.5 | E11 L208 G209 Y214 | E11-Y212 HydrophobicContact CB-CE1 3.96Å; E11-Y212 HydrophobicContact CG-CE1 4.29Å; L208-Y212 HydrophobicContact CB-CD1 3.89Å; L208-Y212 HydrophobicContact CB-CD2 3.77Å; L208-Y212 HydrophobicContact CB-CE1 4.44Å; L208-Y212 HydrophobicContact CB-CE2 4.35Å; L208-Y212 HydrophobicContact CB-CG 3.51Å; L208-Y212 HydrophobicContact CD1-CD1 3.69Å; L208-Y212 HydrophobicContact CD1-CE1 3.7Å; L208-Y212 HydrophobicContact CD1-CG 4.22Å; L208-Y212 HydrophobicContact CD2-CD2 4.42Å; L208-Y212 HydrophobicContact CD2-CE1 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 4.18Å; L208-Y212 HydrophobicContact CG-CD1 4.29Å; L208-Y212 HydrophobicContact CG-CE1 4.41Å; L208-Y212 HydrophobicContact CG-CG 4.33Å; G209-Y212 PolarHBondContact O-N 3.22Å; Y212-Y214 VanDerWaalsContact C-N 3.27Å; Y212-Y214 PolarHBondContact O-N 3.27Å |
| 213 | G | 86 | Confident | 89.6 | Confident | 4 Ų | 4 | 74 Ų | 74 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 5.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | E11 F211 T215 | E11-G213 VanDerWaalsContact CB-CA 3.49Å; E11-G213 WeakPolarHBondContact OE2-CA 3.17Å; F211-G213 PolarHBondContact O-N 3.5Å; G213-T215 PolarHBondContact O-N 3.01Å |
| 214 | Y | 88.2 | Confident | 89.9 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 13% | 0.125 | 39% | 0.385 | C | S | . | . | trans | -74.2 | 97.7 | 176.9 | -85.3 | -121.1 | 0 | 0 | 0 | 110.9 | T17 V18 C21 F211 Y212 V218 W219 V222 | T17-Y214 WeakPolarHBondContact CB-OH 3.43Å; T17-Y214 PolarHBondContact O-OH 3.01Å; T17-Y214 PolarHBondContact OG1-OH 3.11Å; T17-Y214 VanDerWaalsContact OG1-OH 3.11Å; V18-Y214 WeakPolarHBondContact CA-OH 3.45Å; V18-Y214 HydrophobicContact CG2-CE2 4.39Å; V18-Y214 PolarHBondContact N-OH 3.35Å; V18-Y214 VanDerWaalsContact N-OH 3.1Å; C21-Y214 PolarHBondContact SG-OH 2.93Å; C21-Y214 VanDerWaalsContact SG-OH 3.41Å; F211-Y214 HydrophobicContact CB-CD2 4.25Å; F211-Y214 HydrophobicContact CB-CG 4.27Å; F211-Y214 HydrophobicContact CD1-CD1 4.09Å; F211-Y214 AromaticContact CD1-CE1 3.99Å; F211-Y214 HydrophobicContact CD1-CE1 3.99Å; F211-Y214 HydrophobicContact CD1-CE2 4.43Å; F211-Y214 HydrophobicContact CD1-CG 4.32Å; F211-Y214 WeakPolarHBondContact O-CB 3.42Å; F211-Y214 WeakPolarHBondContact O-CD2 3.32Å; F211-Y214 PolarHBondContact O-N 3.41Å; Y212-Y214 VanDerWaalsContact C-N 3.27Å; Y212-Y214 PolarHBondContact O-N 3.27Å; Y214-V218 HydrophobicContact CD1-CB 4.45Å; Y214-V218 HydrophobicContact CD1-CG1 3.77Å; Y214-V218 HydrophobicContact CD2-CG1 4.31Å; Y214-V218 HydrophobicContact CE1-CG1 3.9Å; Y214-V218 HydrophobicContact CE2-CG1 4.41Å; Y214-V218 HydrophobicContact CG-CG1 4.01Å; Y214-W219 HydrophobicContact CD1-CD2 4.21Å; Y214-W219 AromaticContact CD1-CE2 3.74Å; Y214-W219 HydrophobicContact CD1-CH2 4.5Å; Y214-W219 AromaticContact CD1-CZ2 3.9Å; Y214-W219 HydrophobicContact CD1-CZ2 3.9Å; Y214-W219 AromaticContact CD1-NE1 3.87Å; Y214-W219 HydrophobicContact CE1-CH2 4.47Å; Y214-W219 HydrophobicContact CE1-CZ2 4.3Å; Y214-V222 HydrophobicContact CE1-CG2 4.39Å | ||
| 215 | T | 90.4 | Very high | 90.2 | Very high | 63 Ų | 63 | 72.3 Ų | 72.3 | 39% | 0.387 | 37% | 0.372 | S | S | . | . | trans | -85.3 | 165.5 | 167.4 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | G213 I217 V218 W219 | G213-T215 PolarHBondContact O-N 3.01Å; T215-I217 PolarHBondContact O-N 3.42Å; T215-I217 VanDerWaalsContact O-N 3.09Å; T215-V218 WeakPolarHBondContact O-CB 3.4Å; T215-V218 PolarHBondContact O-N 2.9Å; T215-W219 PolarHBondContact O-N 3.5Å | ||
| 216 | P | 90.9 | Very high | 90.4 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -53.4 | -30 | 171.8 | -28.1 | 36.2 | 0 | 0 | 0 | 113.5 | W219 I220 | P216-W219 PolarHBondContact O-N 3.25Å; P216-I220 WeakPolarHBondContact O-CG1 2.88Å; P216-I220 PolarHBondContact O-N 2.94Å |
| 217 | I | 90.2 | Very high | 90.6 | Very high | 119 Ų | 119 | 66.8 Ų | 66.8 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 175.8 | -61.9 | 169.9 | 0 | 0 | 0 | 111 | T215 W219 I220 V221 | T215-I217 PolarHBondContact O-N 3.42Å; T215-I217 VanDerWaalsContact O-N 3.09Å; I217-W219 VanDerWaalsContact C-N 3.33Å; I217-W219 PolarHBondContact O-N 2.81Å; I217-I220 WeakPolarHBondContact O-CB 3.4Å; I217-I220 PolarHBondContact O-N 3.41Å; I217-V221 WeakPolarHBondContact O-CG2 3.1Å; I217-V221 PolarHBondContact O-N 3.49Å |
| 218 | V | 90.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.5 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | Y13 V18 Y214 T215 I220 V221 V222 | Y13-V218 HydrophobicContact CD1-CG2 3.63Å; Y13-V218 HydrophobicContact CD2-CG1 4.41Å; Y13-V218 HydrophobicContact CE1-CG2 4.05Å; Y13-V218 HydrophobicContact CG-CG1 4.32Å; Y13-V218 HydrophobicContact CG-CG2 4Å; V18-V218 HydrophobicContact CG2-CG1 3.67Å; Y214-V218 HydrophobicContact CD1-CB 4.45Å; Y214-V218 HydrophobicContact CD1-CG1 3.77Å; Y214-V218 HydrophobicContact CD2-CG1 4.31Å; Y214-V218 HydrophobicContact CE1-CG1 3.9Å; Y214-V218 HydrophobicContact CE2-CG1 4.41Å; Y214-V218 HydrophobicContact CG-CG1 4.01Å; T215-V218 WeakPolarHBondContact O-CB 3.4Å; T215-V218 PolarHBondContact O-N 2.9Å; V218-I220 VanDerWaalsContact C-N 3.34Å; V218-I220 PolarHBondContact O-N 3.26Å; V218-V221 WeakPolarHBondContact O-CB 3.45Å; V218-V221 PolarHBondContact O-N 2.96Å; V218-V221 VanDerWaalsContact O-N 3.11Å; V218-V222 WeakPolarHBondContact O-CG2 3.31Å; V218-V222 PolarHBondContact O-N 3.37Å |
| 219 | W | 94.1 | Very high | 90.4 | Very high | 108 Ų | 108 | 60.3 Ų | 60.3 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 173.6 | -77.4 | 112.3 | 0 | 0 | 0 | 113 | F211 Y214 T215 P216 I217 V221 V222 I223 | F211-W219 HydrophobicContact CD1-CH2 4.36Å; F211-W219 HydrophobicContact CD1-CZ2 4.1Å; F211-W219 AromaticContact CE1-CH2 3.98Å; F211-W219 HydrophobicContact CE1-CH2 3.98Å; F211-W219 HydrophobicContact CE1-CZ2 4.15Å; Y214-W219 HydrophobicContact CD1-CD2 4.21Å; Y214-W219 AromaticContact CD1-CE2 3.74Å; Y214-W219 HydrophobicContact CD1-CH2 4.5Å; Y214-W219 AromaticContact CD1-CZ2 3.9Å; Y214-W219 HydrophobicContact CD1-CZ2 3.9Å; Y214-W219 AromaticContact CD1-NE1 3.87Å; Y214-W219 HydrophobicContact CE1-CH2 4.47Å; Y214-W219 HydrophobicContact CE1-CZ2 4.3Å; T215-W219 PolarHBondContact O-N 3.5Å; P216-W219 PolarHBondContact O-N 3.25Å; I217-W219 VanDerWaalsContact C-N 3.33Å; I217-W219 PolarHBondContact O-N 2.81Å; W219-V221 VanDerWaalsContact C-N 3.3Å; W219-V221 PolarHBondContact O-N 3.36Å; W219-V222 HydrophobicContact CE3-CB 4.37Å; W219-V222 HydrophobicContact CE3-CG1 4.37Å; W219-V222 HydrophobicContact CZ3-CG1 4.42Å; W219-V222 PolarHBondContact O-N 3.18Å; W219-I223 WeakPolarHBondContact O-CB 3.36Å; W219-I223 VanDerWaalsContact O-CG1 3.27Å; W219-I223 WeakPolarHBondContact O-CG1 3.28Å; W219-I223 PolarHBondContact O-N 3.04Å |
| 220 | I | 94.3 | Very high | 90.3 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 172.2 | -69.7 | 166.2 | 0 | 0 | 0 | 110.6 | P216 I217 V218 I223 L224 | P216-I220 WeakPolarHBondContact O-CG1 2.88Å; P216-I220 PolarHBondContact O-N 2.94Å; I217-I220 WeakPolarHBondContact O-CB 3.4Å; I217-I220 PolarHBondContact O-N 3.41Å; V218-I220 VanDerWaalsContact C-N 3.34Å; V218-I220 PolarHBondContact O-N 3.26Å; I220-I223 PolarHBondContact O-N 3.13Å; I220-L224 HydrophobicContact CG2-CD1 3.69Å; I220-L224 HydrophobicContact CG2-CG 4.15Å; I220-L224 VanDerWaalsContact O-CB 3.32Å; I220-L224 WeakPolarHBondContact O-CB 3.37Å; I220-L224 VanDerWaalsContact O-CG 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.5Å; I220-L224 PolarHBondContact O-N 2.85Å |
| 221 | V | 91.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | V18 I217 V218 W219 I223 L224 Q225 | V18-V221 HydrophobicContact CG1-CG1 4.47Å; I217-V221 WeakPolarHBondContact O-CG2 3.1Å; I217-V221 PolarHBondContact O-N 3.49Å; V218-V221 WeakPolarHBondContact O-CB 3.45Å; V218-V221 PolarHBondContact O-N 2.96Å; V218-V221 VanDerWaalsContact O-N 3.11Å; W219-V221 VanDerWaalsContact C-N 3.3Å; W219-V221 PolarHBondContact O-N 3.36Å; V221-I223 VanDerWaalsContact C-N 3.34Å; V221-I223 PolarHBondContact O-N 2.85Å; V221-L224 PolarHBondContact O-N 3.2Å; V221-Q225 VanDerWaalsContact O-CB 3.31Å; V221-Q225 WeakPolarHBondContact O-CB 3.46Å; V221-Q225 PolarHBondContact O-N 3.47Å |
| 222 | V | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.6 | -48.7 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | V18 C21 L25 Y214 V218 W219 Q225 A226 | V18-V222 HydrophobicContact CB-CG2 4.46Å; V18-V222 HydrophobicContact CG1-CG2 3.81Å; C21-V222 HydrophobicContact CB-CG1 3.78Å; C21-V222 HydrophobicContact CB-CG2 4.01Å; L25-V222 HydrophobicContact CD1-CG1 4.31Å; Y214-V222 HydrophobicContact CE1-CG2 4.39Å; V218-V222 WeakPolarHBondContact O-CG2 3.31Å; V218-V222 PolarHBondContact O-N 3.37Å; W219-V222 HydrophobicContact CE3-CB 4.37Å; W219-V222 HydrophobicContact CE3-CG1 4.37Å; W219-V222 HydrophobicContact CZ3-CG1 4.42Å; W219-V222 PolarHBondContact O-N 3.18Å; V222-Q225 PolarHBondContact O-N 2.84Å; V222-A226 WeakPolarHBondContact O-CB 3.28Å; V222-A226 PolarHBondContact O-N 3.21Å |
| 223 | I | 95 | Very high | 89.7 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 179.2 | -69.9 | 168.8 | 0 | 0 | 0 | 109.9 | L25 W219 I220 V221 Q225 A226 F227 | L25-I223 HydrophobicContact CD1-CG1 4.02Å; W219-I223 WeakPolarHBondContact O-CB 3.36Å; W219-I223 VanDerWaalsContact O-CG1 3.27Å; W219-I223 WeakPolarHBondContact O-CG1 3.28Å; W219-I223 PolarHBondContact O-N 3.04Å; I220-I223 PolarHBondContact O-N 3.13Å; V221-I223 VanDerWaalsContact C-N 3.34Å; V221-I223 PolarHBondContact O-N 2.85Å; I223-Q225 VanDerWaalsContact C-N 3.32Å; I223-Q225 PolarHBondContact O-N 3.41Å; I223-A226 PolarHBondContact O-N 2.85Å; I223-F227 HydrophobicContact CG2-CD2 3.56Å; I223-F227 HydrophobicContact CG2-CE2 3.78Å; I223-F227 WeakPolarHBondContact O-CB 3.36Å; I223-F227 WeakPolarHBondContact O-CD2 3.44Å; I223-F227 PolarHBondContact O-N 3.49Å |
| 224 | L | 92.7 | Very high | 89.4 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 60% | 0.597 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 179.3 | -75.2 | 173.3 | 0 | 0 | 0 | 112.4 | I220 V221 G228 | I220-L224 HydrophobicContact CG2-CD1 3.69Å; I220-L224 HydrophobicContact CG2-CG 4.15Å; I220-L224 VanDerWaalsContact O-CB 3.32Å; I220-L224 WeakPolarHBondContact O-CB 3.37Å; I220-L224 VanDerWaalsContact O-CG 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.5Å; I220-L224 PolarHBondContact O-N 2.85Å; V221-L224 PolarHBondContact O-N 3.2Å; L224-G228 WeakPolarHBondContact O-CA 3.46Å; L224-G228 PolarHBondContact O-N 3.26Å |
| 225 | Q | 90.8 | Very high | 89.2 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 176.8 | -174.1 | 177.1 | 11.5 | 0 | 0 | 111 | S22 Y77 V221 V222 I223 G229 | S22-Q225 PolarHBondContact OG-OE1 2.92Å; Y77-Q225 PolarHBondContact OH-OE1 3.31Å; V221-Q225 VanDerWaalsContact O-CB 3.31Å; V221-Q225 WeakPolarHBondContact O-CB 3.46Å; V221-Q225 PolarHBondContact O-N 3.47Å; V222-Q225 PolarHBondContact O-N 2.84Å; I223-Q225 VanDerWaalsContact C-N 3.32Å; I223-Q225 PolarHBondContact O-N 3.41Å; Q225-G229 PolarHBondContact O-N 3.33Å; Q225-G229 VanDerWaalsContact O-N 3.09Å |
| 226 | A | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.2 | -50.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L25 K26 V222 I223 G228 G229 L230 | L25-A226 HydrophobicContact CB-CB 4Å; L25-A226 HydrophobicContact CD2-CB 3.5Å; L25-A226 VanDerWaalsContact CD2-CB 3.5Å; L25-A226 HydrophobicContact CG-CB 4.23Å; K26-A226 VanDerWaalsContact CG-CA 3.5Å; K26-A226 HydrophobicContact CG-CB 3.7Å; K26-A226 WeakPolarHBondContact CG-O 3.4Å; V222-A226 WeakPolarHBondContact O-CB 3.28Å; V222-A226 PolarHBondContact O-N 3.21Å; I223-A226 PolarHBondContact O-N 2.85Å; A226-G228 VanDerWaalsContact C-N 3.35Å; A226-G228 PolarHBondContact O-N 3.04Å; A226-G229 PolarHBondContact O-N 2.9Å; A226-L230 PolarHBondContact O-N 3.48Å; A226-L230 VanDerWaalsContact O-N 3.16Å |
| 227 | F | 91.6 | Very high | 87.8 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 176.2 | -85.4 | -84 | 0 | 0 | 0 | 112.1 | L29 I223 G229 L230 A231 | L29-F227 HydrophobicContact CD1-CD2 4.38Å; L29-F227 HydrophobicContact CD1-CE1 4.21Å; L29-F227 HydrophobicContact CD1-CE2 3.99Å; L29-F227 HydrophobicContact CD1-CZ 3.91Å; I223-F227 HydrophobicContact CG2-CD2 3.56Å; I223-F227 HydrophobicContact CG2-CE2 3.78Å; I223-F227 WeakPolarHBondContact O-CB 3.36Å; I223-F227 WeakPolarHBondContact O-CD2 3.44Å; I223-F227 PolarHBondContact O-N 3.49Å; F227-G229 VanDerWaalsContact C-N 3.33Å; F227-G229 PolarHBondContact O-N 3.32Å; F227-L230 PolarHBondContact O-N 3.23Å; F227-A231 WeakPolarHBondContact O-CB 3.42Å; F227-A231 PolarHBondContact O-N 3.4Å |
| 228 | G | 87.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L224 A226 A231 I232 | L224-G228 WeakPolarHBondContact O-CA 3.46Å; L224-G228 PolarHBondContact O-N 3.26Å; A226-G228 VanDerWaalsContact C-N 3.35Å; A226-G228 PolarHBondContact O-N 3.04Å; G228-A231 PolarHBondContact O-N 2.88Å; G228-I232 WeakPolarHBondContact O-CD1 3.42Å; G228-I232 VanDerWaalsContact O-CG1 3.28Å; G228-I232 WeakPolarHBondContact O-CG1 3.44Å; G228-I232 PolarHBondContact O-N 3.42Å; G228-I232 VanDerWaalsContact O-N 3.09Å |
| 229 | G | 85.3 | Confident | 86.7 | Confident | 25 Ų | 25 | 66.9 Ų | 66.9 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q225 A226 F227 A233 | Q225-G229 PolarHBondContact O-N 3.33Å; Q225-G229 VanDerWaalsContact O-N 3.09Å; A226-G229 PolarHBondContact O-N 2.9Å; F227-G229 VanDerWaalsContact C-N 3.33Å; F227-G229 PolarHBondContact O-N 3.32Å; G229-A233 PolarHBondContact O-N 3.45Å |
| 230 | L | 86.9 | Confident | 85.7 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 178 | -66.7 | 174.8 | 0 | 0 | 0 | 112.9 | K26 L29 W179 N182 A226 F227 A233 F234 | K26-L230 HydrophobicContact CG-CG 4.33Å; L29-L230 HydrophobicContact CB-CD1 3.59Å; L29-L230 HydrophobicContact CD1-CD1 3.5Å; L29-L230 HydrophobicContact CG-CD1 4.22Å; W179-L230 HydrophobicContact CZ3-CD2 4.33Å; N182-L230 HydrophobicContact CB-CD2 4.22Å; A226-L230 PolarHBondContact O-N 3.48Å; A226-L230 VanDerWaalsContact O-N 3.16Å; F227-L230 PolarHBondContact O-N 3.23Å; L230-A233 WeakPolarHBondContact O-CB 3.45Å; L230-A233 PolarHBondContact O-N 2.74Å; L230-F234 WeakPolarHBondContact O-CB 3.37Å; L230-F234 PolarHBondContact O-N 3.35Å |
| 231 | A | 85.7 | Confident | 84.9 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F227 G228 A233 F234 V235 | F227-A231 WeakPolarHBondContact O-CB 3.42Å; F227-A231 PolarHBondContact O-N 3.4Å; G228-A231 PolarHBondContact O-N 2.88Å; A231-A233 VanDerWaalsContact C-N 3.29Å; A231-A233 PolarHBondContact O-N 2.59Å; A231-F234 PolarHBondContact O-N 2.95Å; A231-V235 VanDerWaalsContact O-CG2 3.29Å; A231-V235 WeakPolarHBondContact O-CG2 3.41Å; A231-V235 PolarHBondContact O-N 3.42Å |
| 232 | I | 82.5 | Confident | 84.2 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 55% | 0.554 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.9 | -44.7 | 173.9 | -66.1 | 163.3 | 0 | 0 | 0 | 110.1 | G228 F234 V235 M236 | G228-I232 WeakPolarHBondContact O-CD1 3.42Å; G228-I232 VanDerWaalsContact O-CG1 3.28Å; G228-I232 WeakPolarHBondContact O-CG1 3.44Å; G228-I232 PolarHBondContact O-N 3.42Å; G228-I232 VanDerWaalsContact O-N 3.09Å; I232-F234 VanDerWaalsContact C-N 3.34Å; I232-F234 PolarHBondContact O-N 2.84Å; I232-V235 PolarHBondContact O-N 2.89Å; I232-M236 HydrophobicContact CG2-CE 4.18Å; I232-M236 WeakPolarHBondContact O-CG 3.41Å; I232-M236 PolarHBondContact O-N 3.46Å |
| 233 | A | 82 | Confident | 83.2 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I178 N182 G229 L230 A231 M236 R237 | I178-A233 HydrophobicContact CG2-CB 3.54Å; N182-A233 WeakPolarHBondContact ND2-CB 3.44Å; G229-A233 PolarHBondContact O-N 3.45Å; L230-A233 WeakPolarHBondContact O-CB 3.45Å; L230-A233 PolarHBondContact O-N 2.74Å; A231-A233 VanDerWaalsContact C-N 3.29Å; A231-A233 PolarHBondContact O-N 2.59Å; A233-M236 HydrophobicContact CB-CE 4.49Å; A233-R237 PolarHBondContact O-N 3.29Å |
| 234 | F | 81.2 | Confident | 82.2 | Confident | 110 Ų | 110 | 73.1 Ų | 73.1 | 48% | 0.482 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 175.8 | -175.9 | -97 | 0 | 0 | 0 | 112.5 | W179 L230 A231 I232 M236 R237 Y238 | W179-F234 HydrophobicContact CH2-CB 4.38Å; W179-F234 AromaticContact CH2-CD2 3.97Å; W179-F234 HydrophobicContact CH2-CD2 3.97Å; W179-F234 HydrophobicContact CZ2-CD2 4.08Å; L230-F234 WeakPolarHBondContact O-CB 3.37Å; L230-F234 PolarHBondContact O-N 3.35Å; A231-F234 PolarHBondContact O-N 2.95Å; I232-F234 VanDerWaalsContact C-N 3.34Å; I232-F234 PolarHBondContact O-N 2.84Å; F234-M236 VanDerWaalsContact C-N 3.32Å; F234-M236 PolarHBondContact O-N 3.36Å; F234-R237 WeakPolarHBondContact O-CB 3.34Å; F234-R237 PolarHBondContact O-N 3.41Å; F234-Y238 PolarHBondContact O-N 3.31Å |
| 235 | V | 83 | Confident | 81.4 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | 177 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | A231 I232 R237 Y238 A239 | A231-V235 VanDerWaalsContact O-CG2 3.29Å; A231-V235 WeakPolarHBondContact O-CG2 3.41Å; A231-V235 PolarHBondContact O-N 3.42Å; I232-V235 PolarHBondContact O-N 2.89Å; V235-R237 VanDerWaalsContact C-N 3.33Å; V235-R237 PolarHBondContact O-N 3.21Å; V235-Y238 PolarHBondContact O-N 3.41Å; V235-A239 WeakPolarHBondContact O-CB 3.22Å; V235-A239 PolarHBondContact O-N 3.03Å |
| 236 | M | 75.7 | Confident | 80.9 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 49% | 0.493 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.1 | -72.2 | -172 | -64 | 0 | 0 | 111.6 | I232 A233 F234 Y238 A239 D240 | I232-M236 HydrophobicContact CG2-CE 4.18Å; I232-M236 WeakPolarHBondContact O-CG 3.41Å; I232-M236 PolarHBondContact O-N 3.46Å; A233-M236 HydrophobicContact CB-CE 4.49Å; F234-M236 VanDerWaalsContact C-N 3.32Å; F234-M236 PolarHBondContact O-N 3.36Å; M236-Y238 VanDerWaalsContact C-N 3.3Å; M236-Y238 PolarHBondContact O-N 3.35Å; M236-A239 PolarHBondContact O-N 3.49Å; M236-D240 PolarHBondContact O-N 2.97Å |
| 237 | R | 76.1 | Confident | 80.1 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 33% | 0.328 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 175.4 | -163.1 | 176.4 | 177.2 | 163.5 | -5 | 112.5 | Q37 I178 A233 F234 V235 N241 | Q37-R237 VanDerWaalsContact OE1-NH1 3.16Å; I178-R237 HydrophobicContact CD1-CB 3.38Å; I178-R237 HydrophobicContact CD1-CG 3.62Å; A233-R237 PolarHBondContact O-N 3.29Å; F234-R237 WeakPolarHBondContact O-CB 3.34Å; F234-R237 PolarHBondContact O-N 3.41Å; V235-R237 VanDerWaalsContact C-N 3.33Å; V235-R237 PolarHBondContact O-N 3.21Å; R237-N241 PolarHBondContact O-N 3.41Å; R237-N241 VanDerWaalsContact O-N 3.14Å; R237-N241 PolarHBondContact O-ND2 3.35Å |
| 238 | Y | 78.8 | Confident | 79.3 | Confident | 141 Ų | 141 | 81.6 Ų | 81.6 | 55% | 0.553 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -73.4 | -39.7 | -175 | -166.3 | -108.1 | 0 | 0 | 0 | 111.6 | F234 V235 M236 D240 N241 I242 | F234-Y238 PolarHBondContact O-N 3.31Å; V235-Y238 PolarHBondContact O-N 3.41Å; M236-Y238 VanDerWaalsContact C-N 3.3Å; M236-Y238 PolarHBondContact O-N 3.35Å; Y238-D240 PolarHBondContact O-N 2.89Å; Y238-N241 PolarHBondContact O-N 2.87Å; Y238-I242 HydrophobicContact CD1-CD1 3.48Å; Y238-I242 VanDerWaalsContact CD1-CD1 3.48Å; Y238-I242 HydrophobicContact CD1-CG1 4.22Å; Y238-I242 HydrophobicContact CE1-CD1 3.24Å; Y238-I242 HydrophobicContact CE1-CG1 3.96Å; Y238-I242 HydrophobicContact CG-CD1 4.42Å; Y238-I242 WeakPolarHBondContact O-CG1 3.35Å; Y238-I242 PolarHBondContact O-N 3.2Å |
| 239 | A | 80 | Confident | 78.6 | Confident | 43 Ų | 43 | 84 Ų | 84 | 36% | 0.355 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V235 M236 N241 I242 L243 | V235-A239 WeakPolarHBondContact O-CB 3.22Å; V235-A239 PolarHBondContact O-N 3.03Å; M236-A239 PolarHBondContact O-N 3.49Å; A239-N241 VanDerWaalsContact C-N 3.31Å; A239-N241 PolarHBondContact O-N 3.38Å; A239-I242 PolarHBondContact O-N 2.92Å; A239-L243 WeakPolarHBondContact O-CB 3.44Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 2.87Å |
| 240 | D | 73.2 | Confident | 77.4 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 47% | 0.465 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 176.4 | -72.4 | -16.8 | 0 | 0 | 0 | 112.3 | M236 Y238 K244 | M236-D240 PolarHBondContact O-N 2.97Å; Y238-D240 PolarHBondContact O-N 2.89Å; D240-K244 WeakPolarHBondContact O-CB 3.45Å; D240-K244 VanDerWaalsContact O-CG 3.25Å; D240-K244 WeakPolarHBondContact O-CG 2.97Å; D240-K244 PolarHBondContact O-N 3.45Å |
| 241 | N | 76.9 | Confident | 76 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 178 | -73.3 | -18.1 | 0 | 0 | 0 | 112.6 | R237 Y238 A239 K244 G245 | R237-N241 PolarHBondContact O-N 3.41Å; R237-N241 VanDerWaalsContact O-N 3.14Å; R237-N241 PolarHBondContact O-ND2 3.35Å; Y238-N241 PolarHBondContact O-N 2.87Å; A239-N241 VanDerWaalsContact C-N 3.31Å; A239-N241 PolarHBondContact O-N 3.38Å; N241-K244 PolarHBondContact O-N 2.92Å; N241-G245 PolarHBondContact O-N 3.01Å |
| 242 | I | 76.3 | Confident | 74.2 | Confident | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.395 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.9 | -70 | 165.5 | 0 | 0 | 0 | 109.9 | Y238 A239 K244 G245 I246 | Y238-I242 HydrophobicContact CD1-CD1 3.48Å; Y238-I242 VanDerWaalsContact CD1-CD1 3.48Å; Y238-I242 HydrophobicContact CD1-CG1 4.22Å; Y238-I242 HydrophobicContact CE1-CD1 3.24Å; Y238-I242 HydrophobicContact CE1-CG1 3.96Å; Y238-I242 HydrophobicContact CG-CD1 4.42Å; Y238-I242 WeakPolarHBondContact O-CG1 3.35Å; Y238-I242 PolarHBondContact O-N 3.2Å; A239-I242 PolarHBondContact O-N 2.92Å; I242-K244 VanDerWaalsContact C-N 3.32Å; I242-K244 PolarHBondContact O-N 2.86Å; I242-G245 WeakPolarHBondContact O-CA 3.27Å; I242-G245 PolarHBondContact O-N 3.09Å; I242-I246 HydrophobicContact CG2-CD1 3.88Å; I242-I246 HydrophobicContact CG2-CG1 4.42Å; I242-I246 WeakPolarHBondContact O-CG1 3.14Å; I242-I246 PolarHBondContact O-N 3.09Å |
| 243 | L | 74.4 | Confident | 73.8 | Confident | 85 Ų | 85 | 102.8 Ų | 102.8 | 45% | 0.445 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.7 | -48 | 178.7 | -75.8 | 169.7 | 0 | 0 | 0 | 110.9 | A239 G245 I246 Y247 | A239-L243 WeakPolarHBondContact O-CB 3.44Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 2.87Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.44Å; L243-I246 PolarHBondContact O-N 3.15Å; L243-Y247 HydrophobicContact CB-CE2 4.27Å; L243-Y247 WeakPolarHBondContact O-CD2 3.38Å; L243-Y247 PolarHBondContact O-N 2.84Å |
| 244 | K | 72.9 | Confident | 73.4 | Confident | 127 Ų | 127 | 107.9 Ų | 107.9 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.6 | -39.1 | 174.6 | -74.3 | 171.2 | -175.3 | 175.3 | 0 | 112.9 | D240 N241 I242 Y247 L248 | D240-K244 WeakPolarHBondContact O-CB 3.45Å; D240-K244 VanDerWaalsContact O-CG 3.25Å; D240-K244 WeakPolarHBondContact O-CG 2.97Å; D240-K244 PolarHBondContact O-N 3.45Å; N241-K244 PolarHBondContact O-N 2.92Å; I242-K244 VanDerWaalsContact C-N 3.32Å; I242-K244 PolarHBondContact O-N 2.86Å; K244-Y247 PolarHBondContact O-N 3.31Å; K244-L248 WeakPolarHBondContact O-CB 3.46Å; K244-L248 VanDerWaalsContact O-CG 3.32Å; K244-L248 WeakPolarHBondContact O-CG 3.1Å; K244-L248 PolarHBondContact O-N 2.95Å |
| 245 | G | 76.7 | Confident | 72.9 | Confident | 39 Ų | 39 | 107.8 Ų | 107.8 | 40% | 0.402 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N241 I242 L243 L248 S249 | N241-G245 PolarHBondContact O-N 3.01Å; I242-G245 WeakPolarHBondContact O-CA 3.27Å; I242-G245 PolarHBondContact O-N 3.09Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.44Å; G245-L248 PolarHBondContact O-N 3.36Å; G245-S249 PolarHBondContact O-N 2.98Å; G245-S249 PolarHBondContact O-OG 3.46Å; G245-S249 VanDerWaalsContact O-OG 3.1Å |
| 246 | I | 79.9 | Confident | 72.4 | Confident | 83 Ų | 83 | 108.6 Ų | 108.6 | 43% | 0.426 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 177.9 | -63.7 | 167.4 | 0 | 0 | 0 | 110.8 | I242 L243 L248 S249 D250 | I242-I246 HydrophobicContact CG2-CD1 3.88Å; I242-I246 HydrophobicContact CG2-CG1 4.42Å; I242-I246 WeakPolarHBondContact O-CG1 3.14Å; I242-I246 PolarHBondContact O-N 3.09Å; L243-I246 PolarHBondContact O-N 3.15Å; I246-L248 VanDerWaalsContact C-N 3.29Å; I246-L248 PolarHBondContact O-N 3.23Å; I246-S249 WeakPolarHBondContact CA-OG 3.29Å; I246-S249 PolarHBondContact O-N 2.9Å; I246-S249 PolarHBondContact O-OG 3.32Å; I246-D250 PolarHBondContact O-N 2.96Å |
| 247 | Y | 75.1 | Confident | 72.1 | Confident | 175 Ų | 175 | 109.1 Ų | 109.1 | 69% | 0.686 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.7 | -30.5 | 178.6 | -70.9 | -63.8 | 0 | 0 | 0 | 113.7 | L243 K244 | L243-Y247 HydrophobicContact CB-CE2 4.27Å; L243-Y247 WeakPolarHBondContact O-CD2 3.38Å; L243-Y247 PolarHBondContact O-N 2.84Å; K244-Y247 PolarHBondContact O-N 3.31Å |
| 248 | L | 75.6 | Confident | 71.9 | Confident | 149 Ų | 149 | 110.6 Ų | 110.6 | 78% | 0.78 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79.5 | -27.1 | 175.3 | -70.9 | 170.1 | 0 | 0 | 0 | 112.5 | K244 G245 I246 | K244-L248 WeakPolarHBondContact O-CB 3.46Å; K244-L248 VanDerWaalsContact O-CG 3.32Å; K244-L248 WeakPolarHBondContact O-CG 3.1Å; K244-L248 PolarHBondContact O-N 2.95Å; G245-L248 PolarHBondContact O-N 3.36Å; I246-L248 VanDerWaalsContact C-N 3.29Å; I246-L248 PolarHBondContact O-N 3.23Å |
| 249 | S | 71.8 | Confident | 71.4 | Confident | 81 Ų | 81 | 108.4 Ų | 108.4 | 57% | 0.566 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -81.3 | -18.3 | 176 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | G245 I246 P251 | G245-S249 PolarHBondContact O-N 2.98Å; G245-S249 PolarHBondContact O-OG 3.46Å; G245-S249 VanDerWaalsContact O-OG 3.1Å; I246-S249 WeakPolarHBondContact CA-OG 3.29Å; I246-S249 PolarHBondContact O-N 2.9Å; I246-S249 PolarHBondContact O-OG 3.32Å; S249-P251 VanDerWaalsContact C-CD 3.41Å; S249-P251 WeakPolarHBondContact O-CD 3.4Å |
| 250 | D | 61.5 | Low | 70.7 | Confident | 99 Ų | 99 | 113.5 Ų | 113.5 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | trans | -103.8 | 83.3 | 173.8 | -73 | -28.2 | 0 | 0 | 0 | 110.6 | I246 Y252 | I246-D250 PolarHBondContact O-N 2.96Å; D250-Y252 PolarHBondContact O-N 2.83Å | ||
| 251 | P | 56.6 | Low | 70.5 | Confident | 103 Ų | 103 | 115.7 Ų | 115.7 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | trans | -80.8 | 71.2 | 172 | 35.2 | -34.9 | 0 | 0 | 0 | 109.9 | S249 | S249-P251 VanDerWaalsContact C-CD 3.41Å; S249-P251 WeakPolarHBondContact O-CD 3.4Å | ||
| 252 | Y | 48.6 | Very low | 69.9 | Low | 286 Ų | 286 | 118.5 Ų | 118.5 | 100% | 1.122 | 60% | 0.597 | S | S | * | * | trans | -135.4 | 0 | 171.3 | -65.1 | -72.7 | 0 | 0 | 0 | 111.8 | D250 | D250-Y252 PolarHBondContact O-N 2.83Š|
Retrieved 252 of 252 residues in 582.7 ms
(Link to these results)