| 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 | 34.4 | Very low | 47.4 | Very low | 153 Ų | 153 | 97.1 Ų | 97.1 | 75% | 0.754 | 53% | 0.527 | S | S | * | . | 0 | 93.7 | 0 | -71.4 | -174 | -154.2 | 0 | 0 | 106.9 | V3 | M1-V3 PolarHBondContact O-N 3.48Š| |||
| 2 | S | 32.6 | Very low | 49.1 | Very low | 92 Ų | 92 | 89.2 Ų | 89.2 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | trans | -68.5 | 123.2 | 167.1 | 50.1 | 0 | 0 | 0 | 0 | 107.1 | G4 | S2-G4 PolarHBondContact O-N 3.26Š| ||
| 3 | V | 43.8 | Very low | 50.8 | Low | 28 Ų | 28 | 91.8 Ų | 91.8 | 17% | 0.17 | 48% | 0.483 | C | S | . | . | trans | -79.4 | 0.1 | -179.5 | -168.6 | 0 | 0 | 0 | 0 | 110 | M1 L5 F19 E20 C84 | M1-V3 PolarHBondContact O-N 3.48Å; V3-L5 HydrophobicContact CB-CD1 4.05Å; V3-L5 HydrophobicContact CB-CG 4.2Å; V3-L5 HydrophobicContact CG1-CD1 3.45Å; V3-L5 VanDerWaalsContact CG1-CD1 3.45Å; V3-L5 HydrophobicContact CG1-CG 3.75Å; V3-L5 PolarHBondContact O-N 3.36Å; V3-F19 HydrophobicContact CG2-CD1 3.98Å; V3-F19 HydrophobicContact CG2-CE1 3.72Å; V3-E20 HydrophobicContact CG2-CG 3.86Å; V3-E20 PolarHBondContact N-OE1 3.16Å; V3-C84 WeakPolarHBondContact CG1-SG 3.47Å | ||
| 4 | G | 41.4 | Very low | 52.7 | Low | 60 Ų | 60 | 88 Ų | 88 | 62% | 0.619 | 47% | 0.471 | S | S | * | . | trans | 60 | 16.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2 D6 | S2-G4 PolarHBondContact O-N 3.26Å; G4-D6 VanDerWaalsContact C-N 3.33Å; G4-D6 PolarHBondContact O-N 3.37Å | ||
| 5 | L | 47.7 | Very low | 54.1 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 13% | 0.131 | 44% | 0.44 | C | S | . | . | trans | -84.2 | 82.3 | -179.7 | -68.3 | 167.8 | 0 | 0 | 0 | 108.1 | V3 F7 L47 N80 V81 | V3-L5 HydrophobicContact CB-CD1 4.05Å; V3-L5 HydrophobicContact CB-CG 4.2Å; V3-L5 HydrophobicContact CG1-CD1 3.45Å; V3-L5 VanDerWaalsContact CG1-CD1 3.45Å; V3-L5 HydrophobicContact CG1-CG 3.75Å; V3-L5 PolarHBondContact O-N 3.36Å; L5-F7 VanDerWaalsContact C-N 3.25Å; L5-F7 HydrophobicContact CB-CD2 3.84Å; L5-F7 HydrophobicContact CB-CE2 3.33Å; L5-F7 HydrophobicContact CB-CZ 3.72Å; L5-F7 HydrophobicContact CD1-CE2 3.77Å; L5-F7 HydrophobicContact CD1-CZ 3.88Å; L5-F7 HydrophobicContact CD2-CE1 4.47Å; L5-F7 HydrophobicContact CD2-CE2 4.31Å; L5-F7 HydrophobicContact CD2-CZ 3.82Å; L5-F7 HydrophobicContact CG-CE2 3.98Å; L5-F7 HydrophobicContact CG-CZ 4.01Å; L5-F7 WeakPolarHBondContact O-CD2 3.46Å; L5-F7 PolarHBondContact O-N 3.41Å; L5-L47 HydrophobicContact CD1-CD2 4.26Å; L5-N80 HydrophobicContact CD2-CB 3.9Å; L5-V81 HydrophobicContact CD1-CG2 4.41Å; L5-V81 HydrophobicContact CD2-CG2 4.38Å | ||
| 6 | D | 43.6 | Very low | 55.3 | Low | 151 Ų | 151 | 77.7 Ų | 77.7 | 81% | 0.807 | 42% | 0.416 | S | S | * | . | trans | -75.9 | 81.4 | 176.5 | -139.1 | -2 | 0 | 0 | 0 | 109.1 | G4 | G4-D6 VanDerWaalsContact C-N 3.33Å; G4-D6 PolarHBondContact O-N 3.37Å | ||
| 7 | F | 51.3 | Low | 56.6 | Low | 12 Ų | 12 | 80.8 Ų | 80.8 | 5% | 0.053 | 43% | 0.428 | C | S | . | . | trans | -81 | 123.5 | 176.1 | -62.5 | -67.7 | 0 | 0 | 0 | 109.9 | L5 E9 L12 R13 V16 L47 V81 | L5-F7 VanDerWaalsContact C-N 3.25Å; L5-F7 HydrophobicContact CB-CD2 3.84Å; L5-F7 HydrophobicContact CB-CE2 3.33Å; L5-F7 HydrophobicContact CB-CZ 3.72Å; L5-F7 HydrophobicContact CD1-CE2 3.77Å; L5-F7 HydrophobicContact CD1-CZ 3.88Å; L5-F7 HydrophobicContact CD2-CE1 4.47Å; L5-F7 HydrophobicContact CD2-CE2 4.31Å; L5-F7 HydrophobicContact CD2-CZ 3.82Å; L5-F7 HydrophobicContact CG-CE2 3.98Å; L5-F7 HydrophobicContact CG-CZ 4.01Å; L5-F7 WeakPolarHBondContact O-CD2 3.46Å; L5-F7 PolarHBondContact O-N 3.41Å; F7-E9 PolarHBondContact O-N 3.31Å; F7-L12 HydrophobicContact CB-CB 4.15Å; F7-L12 HydrophobicContact CB-CD1 4.38Å; F7-L12 HydrophobicContact CD1-CB 4.48Å; F7-L12 HydrophobicContact CD1-CD1 3.62Å; F7-L12 HydrophobicContact CD2-CB 3.95Å; F7-L12 HydrophobicContact CE1-CD1 3.96Å; F7-L12 HydrophobicContact CE2-CB 4.42Å; F7-L12 HydrophobicContact CG-CB 3.95Å; F7-L12 HydrophobicContact CG-CD1 3.93Å; F7-R13 PolarHBondContact O-NH2 3.46Å; F7-V16 HydrophobicContact CD2-CG2 3.72Å; F7-V16 HydrophobicContact CE2-CG2 3.46Å; F7-V16 VanDerWaalsContact CE2-CG2 3.46Å; F7-L47 HydrophobicContact CE2-CD1 4.41Å; F7-V81 HydrophobicContact CE1-CG2 4.19Å; F7-V81 HydrophobicContact CZ-CG2 3.57Å | ||
| 8 | Q | 44.7 | Very low | 57.7 | Low | 195 Ų | 195 | 76.8 Ų | 76.8 | 91% | 0.911 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -64.9 | -24.9 | 167.1 | -67.9 | -173.2 | -2.6 | 0 | 0 | 111.8 | S10 | Q8-S10 PolarHBondContact O-N 2.92Š|
| 9 | E | 55.9 | Low | 58.7 | Low | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 39% | 0.389 | S | S | . | . | trans | -78.8 | 109.2 | 179.5 | -69.8 | -166.8 | 154.7 | 0 | 0 | 112.2 | F7 R11 L12 | F7-E9 PolarHBondContact O-N 3.31Å; E9-R11 PolarHBondContact O-N 3.4Å; E9-L12 HydrophobicContact CB-CD1 4.26Å; E9-L12 HydrophobicContact CB-CG 4.31Å; E9-L12 PolarHBondContact O-N 2.9Å | ||
| 10 | S | 58.7 | Low | 59.3 | Low | 92 Ų | 92 | 73.7 Ų | 73.7 | 64% | 0.643 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -52 | -25.5 | 174.5 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | Q8 | Q8-S10 PolarHBondContact O-N 2.92Å |
| 11 | R | 66.9 | Low | 59.9 | Low | 162 Ų | 162 | 74.4 Ų | 74.4 | 61% | 0.611 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.1 | -36.7 | 178.9 | -58.8 | -179.2 | -154.9 | 160.7 | 8.7 | 112.9 | E9 I34 | E9-R11 PolarHBondContact O-N 3.4Å; R11-I34 VanDerWaalsContact O-CD1 3.22Å; R11-I34 WeakPolarHBondContact O-CD1 2.88Å |
| 12 | L | 68.6 | Low | 61.7 | Low | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.9 | -30.3 | 180 | -65.5 | 174.4 | 0 | 0 | 0 | 111.3 | F7 E9 A14 I15 V16 L47 | F7-L12 HydrophobicContact CB-CB 4.15Å; F7-L12 HydrophobicContact CB-CD1 4.38Å; F7-L12 HydrophobicContact CD1-CB 4.48Å; F7-L12 HydrophobicContact CD1-CD1 3.62Å; F7-L12 HydrophobicContact CD2-CB 3.95Å; F7-L12 HydrophobicContact CE1-CD1 3.96Å; F7-L12 HydrophobicContact CE2-CB 4.42Å; F7-L12 HydrophobicContact CG-CB 3.95Å; F7-L12 HydrophobicContact CG-CD1 3.93Å; E9-L12 HydrophobicContact CB-CD1 4.26Å; E9-L12 HydrophobicContact CB-CG 4.31Å; E9-L12 PolarHBondContact O-N 2.9Å; L12-A14 PolarHBondContact O-N 2.9Å; L12-I15 HydrophobicContact CD2-CD1 4.49Å; L12-I15 PolarHBondContact O-N 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.32Å; L12-V16 VanDerWaalsContact O-N 3.1Å; L12-L47 HydrophobicContact CB-CD1 4.46Å; L12-L47 HydrophobicContact CD2-CD1 3.92Å |
| 13 | R | 71.1 | Confident | 64 | Low | 123 Ų | 123 | 68.1 Ų | 68.1 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.2 | -35.5 | 173.8 | -74.2 | -172.9 | -170.4 | 158.8 | 1.5 | 113.1 | F7 I15 V16 E17 | F7-R13 PolarHBondContact O-NH2 3.46Å; R13-I15 PolarHBondContact O-N 3.48Å; R13-V16 PolarHBondContact O-N 3.05Å; R13-V16 VanDerWaalsContact O-N 3.16Å; R13-E17 PolarHBondContact O-N 3.06Å |
| 14 | A | 76.8 | Confident | 65.9 | Low | 39 Ų | 39 | 70 Ų | 70 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -22.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L12 P18 | L12-A14 PolarHBondContact O-N 2.9Å; A14-P18 WeakPolarHBondContact O-CD 3.38Å; A14-P18 VanDerWaalsContact O-CG 3.25Å; A14-P18 WeakPolarHBondContact O-CG 3.42Å |
| 15 | I | 74.1 | Confident | 67.8 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -90.3 | -41.5 | 172.7 | -53.3 | 171.6 | 0 | 0 | 0 | 110.5 | L12 R13 P18 F19 E30 A31 I34 A44 L47 | L12-I15 HydrophobicContact CD2-CD1 4.49Å; L12-I15 PolarHBondContact O-N 3.26Å; R13-I15 PolarHBondContact O-N 3.48Å; I15-P18 WeakPolarHBondContact O-CD 3.31Å; I15-F19 WeakPolarHBondContact O-CB 3.33Å; I15-F19 PolarHBondContact O-N 3.4Å; I15-F19 VanDerWaalsContact O-N 3.15Å; I15-E30 HydrophobicContact CG1-CB 4.34Å; I15-A31 HydrophobicContact CD1-CB 3.97Å; I15-A31 HydrophobicContact CG1-CB 4.29Å; I15-A31 HydrophobicContact CG2-CB 4.17Å; I15-I34 HydrophobicContact CD1-CD1 3.6Å; I15-I34 HydrophobicContact CG1-CD1 3.6Å; I15-A44 HydrophobicContact CD1-CB 4.21Å; I15-L47 HydrophobicContact CB-CD1 4.12Å; I15-L47 HydrophobicContact CD1-CB 4.49Å; I15-L47 HydrophobicContact CD1-CD1 4Å; I15-L47 HydrophobicContact CG2-CB 4.04Å; I15-L47 HydrophobicContact CG2-CD1 4.17Å |
| 16 | V | 73.7 | Confident | 69.6 | Low | 11 Ų | 11 | 79.3 Ų | 79.3 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -44.6 | -174.4 | 177.7 | 0 | 0 | 0 | 0 | 112 | F7 L12 R13 F19 E20 L47 | F7-V16 HydrophobicContact CD2-CG2 3.72Å; F7-V16 HydrophobicContact CE2-CG2 3.46Å; F7-V16 VanDerWaalsContact CE2-CG2 3.46Å; L12-V16 WeakPolarHBondContact O-CG2 3.27Å; L12-V16 PolarHBondContact O-N 3.32Å; L12-V16 VanDerWaalsContact O-N 3.1Å; R13-V16 PolarHBondContact O-N 3.05Å; R13-V16 VanDerWaalsContact O-N 3.16Å; V16-F19 CarbonylContact O-C 3.32Å; V16-F19 WeakPolarHBondContact O-CA 3.48Å; V16-F19 WeakPolarHBondContact O-CB 3.41Å; V16-F19 PolarHBondContact O-N 2.71Å; V16-E20 HydrophobicContact CG1-CG 3.87Å; V16-E20 WeakPolarHBondContact O-CB 3.41Å; V16-E20 WeakPolarHBondContact O-CG 3.44Å; V16-E20 PolarHBondContact O-N 2.95Å; V16-L47 HydrophobicContact CG2-CD1 4.3Å; V16-L47 HydrophobicContact CG2-CD2 4.41Å |
| 17 | E | 76.5 | Confident | 71.3 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 61% | 0.607 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.2 | -48.8 | 179.5 | -80.8 | 175.3 | -169.7 | 0 | 0 | 112.8 | R13 F19 E20 S21 | R13-E17 PolarHBondContact O-N 3.06Å; E17-F19 VanDerWaalsContact C-N 3.27Å; E17-F19 PolarHBondContact O-N 2.88Å; E17-E20 PolarHBondContact O-N 3.39Å; E17-S21 WeakPolarHBondContact O-CB 3.48Å; E17-S21 PolarHBondContact O-N 3.2Å; E17-S21 PolarHBondContact O-OG 3.43Å |
| 18 | P | 77.1 | Confident | 72.9 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.4 | -31.7 | 171.1 | -25.9 | 34.7 | 0 | 0 | 0 | 114.3 | A14 I15 S21 G22 N23 K26 A27 | A14-P18 WeakPolarHBondContact O-CD 3.38Å; A14-P18 VanDerWaalsContact O-CG 3.25Å; A14-P18 WeakPolarHBondContact O-CG 3.42Å; I15-P18 WeakPolarHBondContact O-CD 3.31Å; P18-S21 VanDerWaalsContact CA-OG 3.29Å; P18-S21 WeakPolarHBondContact CA-OG 3.2Å; P18-S21 PolarHBondContact O-OG 2.85Å; P18-S21 VanDerWaalsContact O-OG 3.08Å; P18-G22 PolarHBondContact O-N 3.28Å; P18-N23 CarbonylContact O-C 3.47Å; P18-N23 WeakPolarHBondContact O-CA 3.41Å; P18-N23 PolarHBondContact O-N 2.96Å; P18-K26 HydrophobicContact CB-CB 4.12Å; P18-K26 HydrophobicContact CB-CD 4.36Å; P18-K26 HydrophobicContact CB-CG 4.15Å; P18-K26 HydrophobicContact CG-CD 4.24Å; P18-K26 HydrophobicContact CG-CG 4.17Å; P18-A27 HydrophobicContact CB-CB 3.89Å |
| 19 | F | 75.9 | Confident | 74.8 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 6% | 0.057 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.8 | -44.6 | 178.1 | 178.5 | -89 | 0 | 0 | 0 | 111.8 | V3 I15 V16 E17 S21 G22 Y24 A27 L50 T51 R54 | V3-F19 HydrophobicContact CG2-CD1 3.98Å; V3-F19 HydrophobicContact CG2-CE1 3.72Å; I15-F19 WeakPolarHBondContact O-CB 3.33Å; I15-F19 PolarHBondContact O-N 3.4Å; I15-F19 VanDerWaalsContact O-N 3.15Å; V16-F19 CarbonylContact O-C 3.32Å; V16-F19 WeakPolarHBondContact O-CA 3.48Å; V16-F19 WeakPolarHBondContact O-CB 3.41Å; V16-F19 PolarHBondContact O-N 2.71Å; E17-F19 VanDerWaalsContact C-N 3.27Å; E17-F19 PolarHBondContact O-N 2.88Å; F19-S21 VanDerWaalsContact C-N 3.33Å; F19-G22 PolarHBondContact O-N 3.21Å; F19-G22 VanDerWaalsContact O-N 3.08Å; F19-Y24 HydrophobicContact CD2-CD1 4.17Å; F19-Y24 HydrophobicContact CD2-CE1 4.22Å; F19-Y24 HydrophobicContact CE2-CD1 4.45Å; F19-Y24 HydrophobicContact CE2-CE1 4.25Å; F19-A27 HydrophobicContact CB-CB 4.18Å; F19-L50 HydrophobicContact CE1-CD2 4Å; F19-L50 HydrophobicContact CE2-CD2 4.04Å; F19-L50 HydrophobicContact CE2-CG 3.87Å; F19-L50 HydrophobicContact CZ-CD1 4.5Å; F19-L50 HydrophobicContact CZ-CD2 3.55Å; F19-L50 HydrophobicContact CZ-CG 3.64Å; F19-T51 HydrophobicContact CD2-CG2 4.21Å; F19-T51 WeakPolarHBondContact CD2-OG1 3.42Å; F19-R54 HydrophobicContact CE2-CB 4.24Å; F19-R54 HydrophobicContact CE2-CG 3.87Å; F19-R54 HydrophobicContact CZ-CG 3.87Å |
| 20 | E | 70.5 | Confident | 76.1 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -32.7 | 178.9 | -71.3 | -168.2 | 155.2 | 0 | 0 | 112.5 | V3 V16 E17 G22 | V3-E20 HydrophobicContact CG2-CG 3.86Å; V3-E20 PolarHBondContact N-OE1 3.16Å; V16-E20 HydrophobicContact CG1-CG 3.87Å; V16-E20 WeakPolarHBondContact O-CB 3.41Å; V16-E20 WeakPolarHBondContact O-CG 3.44Å; V16-E20 PolarHBondContact O-N 2.95Å; E17-E20 PolarHBondContact O-N 3.39Å; E20-G22 PolarHBondContact O-N 3.34Å |
| 21 | S | 73.3 | Confident | 77.2 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 62% | 0.622 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 0.1 | 171.3 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | E17 P18 F19 N23 | E17-S21 WeakPolarHBondContact O-CB 3.48Å; E17-S21 PolarHBondContact O-N 3.2Å; E17-S21 PolarHBondContact O-OG 3.43Å; P18-S21 VanDerWaalsContact CA-OG 3.29Å; P18-S21 WeakPolarHBondContact CA-OG 3.2Å; P18-S21 PolarHBondContact O-OG 2.85Å; P18-S21 VanDerWaalsContact O-OG 3.08Å; F19-S21 VanDerWaalsContact C-N 3.33Å; S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 3.3Å |
| 22 | G | 71.7 | Confident | 78.1 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 2.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P18 F19 E20 Y24 | P18-G22 PolarHBondContact O-N 3.28Å; F19-G22 PolarHBondContact O-N 3.21Å; F19-G22 VanDerWaalsContact O-N 3.08Å; E20-G22 PolarHBondContact O-N 3.34Å; G22-Y24 VanDerWaalsContact C-N 3.33Å; G22-Y24 PolarHBondContact O-N 2.75Å |
| 23 | N | 81.6 | Confident | 78.8 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | trans | -84.9 | 72.9 | 178.7 | -165.3 | -20.5 | 0 | 0 | 0 | 111.6 | P18 S21 K25 K26 A27 | P18-N23 CarbonylContact O-C 3.47Å; P18-N23 WeakPolarHBondContact O-CA 3.41Å; P18-N23 PolarHBondContact O-N 2.96Å; S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 3.3Å; N23-K25 VanDerWaalsContact C-N 3.25Å; N23-K25 PolarHBondContact O-N 3.04Å; N23-K26 HydrophobicContact CB-CB 4.36Å; N23-K26 PolarHBondContact O-N 2.73Å; N23-K26 VanDerWaalsContact O-N 3.14Å; N23-K26 PolarHBondContact OD1-N 2.74Å; N23-A27 PolarHBondContact O-N 3.3Å | ||
| 24 | Y | 82.5 | Confident | 79.2 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.7 | -28.6 | -175.3 | -52.6 | -49.9 | 0 | 0 | 0 | 113.9 | F19 G22 L28 T51 R54 | F19-Y24 HydrophobicContact CD2-CD1 4.17Å; F19-Y24 HydrophobicContact CD2-CE1 4.22Å; F19-Y24 HydrophobicContact CE2-CD1 4.45Å; F19-Y24 HydrophobicContact CE2-CE1 4.25Å; G22-Y24 VanDerWaalsContact C-N 3.33Å; G22-Y24 PolarHBondContact O-N 2.75Å; Y24-L28 WeakPolarHBondContact O-CB 3.35Å; Y24-L28 VanDerWaalsContact O-CG 3.3Å; Y24-L28 WeakPolarHBondContact O-CG 3.33Å; Y24-L28 PolarHBondContact O-N 3.04Å; Y24-T51 HydrophobicContact CD1-CG2 4.23Å; Y24-R54 HydrophobicContact CD1-CB 4.12Å; Y24-R54 HydrophobicContact CE1-CB 3.75Å; Y24-R54 HydrophobicContact CE1-CG 4.4Å; Y24-R54 HydrophobicContact CE2-CB 4.19Å |
| 25 | K | 82.8 | Confident | 79.3 | Confident | 172 Ų | 172 | 57.1 Ų | 57.1 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.7 | -46.2 | 175.5 | -73.2 | -177 | -178.9 | 175 | 0 | 111.1 | N23 L28 Q29 | N23-K25 VanDerWaalsContact C-N 3.25Å; N23-K25 PolarHBondContact O-N 3.04Å; K25-L28 PolarHBondContact O-N 3.02Å; K25-Q29 WeakPolarHBondContact O-CG 3.29Å; K25-Q29 PolarHBondContact O-N 3.13Å; K25-Q29 VanDerWaalsContact O-N 3.08Å |
| 26 | K | 83.5 | Confident | 79.6 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 177.3 | -170.9 | 179.1 | -179.6 | -174.3 | 0 | 111.1 | P18 N23 L28 Q29 E30 | P18-K26 HydrophobicContact CB-CB 4.12Å; P18-K26 HydrophobicContact CB-CD 4.36Å; P18-K26 HydrophobicContact CB-CG 4.15Å; P18-K26 HydrophobicContact CG-CD 4.24Å; P18-K26 HydrophobicContact CG-CG 4.17Å; N23-K26 HydrophobicContact CB-CB 4.36Å; N23-K26 PolarHBondContact O-N 2.73Å; N23-K26 VanDerWaalsContact O-N 3.14Å; N23-K26 PolarHBondContact OD1-N 2.74Å; K26-L28 VanDerWaalsContact C-N 3.34Å; K26-L28 PolarHBondContact O-N 2.76Å; K26-Q29 PolarHBondContact O-N 3.01Å; K26-Q29 VanDerWaalsContact O-N 3.16Å; K26-E30 PolarHBondContact O-N 3.29Å |
| 27 | A | 81.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P18 F19 N23 Q29 E30 A31 T51 | P18-A27 HydrophobicContact CB-CB 3.89Å; F19-A27 HydrophobicContact CB-CB 4.18Å; N23-A27 PolarHBondContact O-N 3.3Å; A27-Q29 PolarHBondContact O-N 3.26Å; A27-E30 PolarHBondContact O-N 3.38Å; A27-A31 VanDerWaalsContact O-CB 3.31Å; A27-A31 WeakPolarHBondContact O-CB 3.38Å; A27-A31 PolarHBondContact O-N 3.39Å; A27-T51 HydrophobicContact CB-CG2 3.7Å |
| 28 | L | 83.8 | Confident | 79.8 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 175.8 | -76.6 | 168.7 | 0 | 0 | 0 | 112.7 | Y24 K25 K26 N32 K48 T51 L52 | Y24-L28 WeakPolarHBondContact O-CB 3.35Å; Y24-L28 VanDerWaalsContact O-CG 3.3Å; Y24-L28 WeakPolarHBondContact O-CG 3.33Å; Y24-L28 PolarHBondContact O-N 3.04Å; K25-L28 PolarHBondContact O-N 3.02Å; K26-L28 VanDerWaalsContact C-N 3.34Å; K26-L28 PolarHBondContact O-N 2.76Å; L28-N32 WeakPolarHBondContact O-CB 3.4Å; L28-N32 VanDerWaalsContact O-CG 3.24Å; L28-N32 PolarHBondContact O-N 3.38Å; L28-N32 PolarHBondContact O-ND2 2.98Å; L28-K48 HydrophobicContact CD2-CG 4.11Å; L28-T51 HydrophobicContact CD1-CG2 4.42Å; L28-T51 HydrophobicContact CD2-CG2 4Å; L28-T51 HydrophobicContact CG-CG2 3.66Å; L28-L52 HydrophobicContact CD1-CD2 4.15Å; L28-L52 HydrophobicContact CD2-CD2 3.85Å; L28-L52 HydrophobicContact CD2-CG 3.84Å |
| 29 | Q | 85.4 | Confident | 79.6 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 176.4 | -74.4 | 177.1 | 1.4 | 0 | 0 | 111.5 | K25 K26 A27 N32 K33 | K25-Q29 WeakPolarHBondContact O-CG 3.29Å; K25-Q29 PolarHBondContact O-N 3.13Å; K25-Q29 VanDerWaalsContact O-N 3.08Å; K26-Q29 PolarHBondContact O-N 3.01Å; K26-Q29 VanDerWaalsContact O-N 3.16Å; A27-Q29 PolarHBondContact O-N 3.26Å; Q29-N32 PolarHBondContact O-N 3.15Å; Q29-K33 WeakPolarHBondContact O-CG 3.27Å; Q29-K33 PolarHBondContact O-N 3.15Å |
| 30 | E | 83.5 | Confident | 79.4 | Confident | 41 Ų | 41 | 80 Ų | 80 | 19% | 0.192 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 177.3 | -66.7 | -51.9 | 137.1 | 0 | 0 | 112 | I15 K26 A27 N32 K33 I34 | I15-E30 HydrophobicContact CG1-CB 4.34Å; K26-E30 PolarHBondContact O-N 3.29Å; A27-E30 PolarHBondContact O-N 3.38Å; E30-N32 VanDerWaalsContact C-N 3.34Å; E30-N32 PolarHBondContact O-N 3.38Å; E30-K33 WeakPolarHBondContact O-CB 3.46Å; E30-K33 PolarHBondContact O-N 3.24Å; E30-K33 IonicContact OE1-NZ 3.6Å; E30-K33 PolarHBondContact OE1-NZ 3.35Å; E30-K33 WeakPolarHBondContact OE2-CD 3.45Å; E30-K33 IonicContact OE2-NZ 2.93Å; E30-I34 WeakPolarHBondContact O-CG1 3.5Å; E30-I34 PolarHBondContact O-N 3.16Å |
| 31 | A | 81.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I15 A27 I34 L35 K48 | I15-A31 HydrophobicContact CD1-CB 3.97Å; I15-A31 HydrophobicContact CG1-CB 4.29Å; I15-A31 HydrophobicContact CG2-CB 4.17Å; A27-A31 VanDerWaalsContact O-CB 3.31Å; A27-A31 WeakPolarHBondContact O-CB 3.38Å; A27-A31 PolarHBondContact O-N 3.39Å; A31-I34 PolarHBondContact O-N 3.4Å; A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 VanDerWaalsContact O-CG 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.49Å; A31-L35 PolarHBondContact O-N 3.36Å; A31-K48 HydrophobicContact CB-CB 4.21Å |
| 32 | N | 84.7 | Confident | 79.6 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 176.5 | -74 | -39.7 | 0 | 0 | 0 | 112.6 | L28 Q29 E30 K36 K48 | L28-N32 WeakPolarHBondContact O-CB 3.4Å; L28-N32 VanDerWaalsContact O-CG 3.24Å; L28-N32 PolarHBondContact O-N 3.38Å; L28-N32 PolarHBondContact O-ND2 2.98Å; Q29-N32 PolarHBondContact O-N 3.15Å; E30-N32 VanDerWaalsContact C-N 3.34Å; E30-N32 PolarHBondContact O-N 3.38Å; N32-K36 WeakPolarHBondContact O-CB 3.47Å; N32-K36 WeakPolarHBondContact O-CG 3.37Å; N32-K36 PolarHBondContact O-N 2.91Å; N32-K48 WeakPolarHBondContact OD1-CE 3.26Å; N32-K48 PolarHBondContact OD1-NZ 2.7Å |
| 33 | K | 84.2 | Confident | 79.5 | Confident | 111 Ų | 111 | 73.6 Ų | 73.6 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 174.1 | -77.4 | 173.9 | -175.1 | 171.9 | 0 | 111.4 | Q29 E30 K36 K37 | Q29-K33 WeakPolarHBondContact O-CG 3.27Å; Q29-K33 PolarHBondContact O-N 3.15Å; E30-K33 WeakPolarHBondContact O-CB 3.46Å; E30-K33 PolarHBondContact O-N 3.24Å; E30-K33 IonicContact OE1-NZ 3.6Å; E30-K33 PolarHBondContact OE1-NZ 3.35Å; E30-K33 WeakPolarHBondContact OE2-CD 3.45Å; E30-K33 IonicContact OE2-NZ 2.93Å; K33-K36 PolarHBondContact O-N 3.23Å; K33-K37 PolarHBondContact O-N 3.4Å |
| 34 | I | 78.2 | Confident | 79.3 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 178 | -70.7 | 161.9 | 0 | 0 | 0 | 110.3 | R11 I15 E30 A31 K36 K37 T38 A44 | R11-I34 VanDerWaalsContact O-CD1 3.22Å; R11-I34 WeakPolarHBondContact O-CD1 2.88Å; I15-I34 HydrophobicContact CD1-CD1 3.6Å; I15-I34 HydrophobicContact CG1-CD1 3.6Å; E30-I34 WeakPolarHBondContact O-CG1 3.5Å; E30-I34 PolarHBondContact O-N 3.16Å; A31-I34 PolarHBondContact O-N 3.4Å; I34-K36 VanDerWaalsContact C-N 3.29Å; I34-K36 PolarHBondContact O-N 3.31Å; I34-K37 PolarHBondContact O-N 2.8Å; I34-T38 PolarHBondContact O-N 3.47Å; I34-T38 PolarHBondContact O-OG1 2.86Å; I34-T38 VanDerWaalsContact O-OG1 3.05Å; I34-A44 HydrophobicContact CG2-CB 3.8Å |
| 35 | L | 80.5 | Confident | 79.1 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.131 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -29 | 178.1 | -70.3 | 171.2 | 0 | 0 | 0 | 113.6 | A31 T38 P39 A44 K45 K48 | A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 VanDerWaalsContact O-CG 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.49Å; A31-L35 PolarHBondContact O-N 3.36Å; L35-T38 CarbonylContact O-C 3.59Å; L35-P39 WeakPolarHBondContact O-CA 3.49Å; L35-P39 VanDerWaalsContact O-N 3.16Å; L35-A44 HydrophobicContact CD2-CB 3.82Å; L35-A44 HydrophobicContact CG-CB 4.07Å; L35-K45 HydrophobicContact CD1-CG 4.2Å; L35-K45 HydrophobicContact CD2-CB 4.41Å; L35-K45 HydrophobicContact CD2-CG 3.44Å; L35-K45 VanDerWaalsContact CD2-CG 3.44Å; L35-K45 HydrophobicContact CG-CG 4.48Å; L35-K48 HydrophobicContact CD1-CB 4.4Å; L35-K48 HydrophobicContact CD1-CD 3.73Å |
| 36 | K | 79.4 | Confident | 78.8 | Confident | 183 Ų | 183 | 62.6 Ų | 62.6 | 80% | 0.796 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.7 | -37.5 | 171.3 | -81.2 | -177.7 | 179.2 | -173.4 | 0 | 112.5 | N32 K33 I34 | N32-K36 WeakPolarHBondContact O-CB 3.47Å; N32-K36 WeakPolarHBondContact O-CG 3.37Å; N32-K36 PolarHBondContact O-N 2.91Å; K33-K36 PolarHBondContact O-N 3.23Å; I34-K36 VanDerWaalsContact C-N 3.29Å; I34-K36 PolarHBondContact O-N 3.31Å |
| 37 | K | 77.8 | Confident | 78.6 | Confident | 181 Ų | 181 | 57.5 Ų | 57.5 | 79% | 0.787 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -80 | -38.2 | 179 | -68.1 | -174.6 | -176.8 | -175 | 0 | 112.1 | K33 I34 | K33-K37 PolarHBondContact O-N 3.4Å; I34-K37 PolarHBondContact O-N 2.8Å |
| 38 | T | 76.3 | Confident | 78.6 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | trans | -136.2 | 81.1 | -176.5 | 49.8 | 0 | 0 | 0 | 0 | 110 | I34 L35 N40 C41 | I34-T38 PolarHBondContact O-N 3.47Å; I34-T38 PolarHBondContact O-OG1 2.86Å; I34-T38 VanDerWaalsContact O-OG1 3.05Å; L35-T38 CarbonylContact O-C 3.59Å; T38-N40 PolarHBondContact O-N 3.33Å; T38-C41 WeakPolarHBondContact O-CB 3.44Å; T38-C41 PolarHBondContact O-N 3.07Å | ||
| 39 | P | 74 | Confident | 78.5 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 49% | 0.494 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.5 | -177.2 | 22.2 | -31.2 | 0 | 0 | 0 | 113.9 | L35 C41 K45 | L35-P39 WeakPolarHBondContact O-CA 3.49Å; L35-P39 VanDerWaalsContact O-N 3.16Å; P39-C41 VanDerWaalsContact C-N 3.32Å; P39-K45 WeakPolarHBondContact O-CE 3.35Å; P39-K45 PolarHBondContact O-NZ 3.23Å |
| 40 | N | 71.2 | Confident | 78.1 | Confident | 152 Ų | 152 | 52.9 Ų | 52.9 | 81% | 0.813 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 0.5 | 177.6 | -69.6 | -3.6 | 0 | 0 | 0 | 113.8 | T38 T42 | T38-N40 PolarHBondContact O-N 3.33Å; N40-T42 PolarHBondContact O-N 3.45Å |
| 41 | C | 71.2 | Confident | 78 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | trans | -74.3 | 96.8 | 176.5 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | T38 P39 S43 A44 K45 | T38-C41 WeakPolarHBondContact O-CB 3.44Å; T38-C41 PolarHBondContact O-N 3.07Å; P39-C41 VanDerWaalsContact C-N 3.32Å; C41-S43 VanDerWaalsContact C-N 3.29Å; C41-S43 PolarHBondContact O-N 2.81Å; C41-S43 PolarHBondContact SG-OG 3.49Å; C41-A44 HydrophobicContact CB-CB 4.18Å; C41-A44 PolarHBondContact O-N 3Å; C41-K45 PolarHBondContact O-N 3.31Å | ||
| 42 | T | 76 | Confident | 78 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -37.7 | 178.7 | 40.3 | 0 | 0 | 0 | 0 | 112.2 | N40 K45 A46 P73 D75 T78 | N40-T42 PolarHBondContact O-N 3.45Å; T42-K45 WeakPolarHBondContact O-CB 3.06Å; T42-K45 PolarHBondContact O-N 2.77Å; T42-A46 PolarHBondContact O-N 3.32Å; T42-P73 HydrophobicContact CG2-CB 4.31Å; T42-D75 PolarHBondContact OG1-OD1 3.37Å; T42-T78 WeakPolarHBondContact CB-OG1 3.44Å; T42-T78 PolarHBondContact OG1-OG1 3.1Å; T42-T78 VanDerWaalsContact OG1-OG1 3.06Å |
| 43 | S | 70.8 | Confident | 77.6 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | -177.7 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | C41 K45 A46 L47 S77 T78 | C41-S43 VanDerWaalsContact C-N 3.29Å; C41-S43 PolarHBondContact O-N 2.81Å; C41-S43 PolarHBondContact SG-OG 3.49Å; S43-K45 VanDerWaalsContact C-N 3.34Å; S43-K45 PolarHBondContact O-N 2.95Å; S43-A46 PolarHBondContact O-N 2.9Å; S43-L47 WeakPolarHBondContact O-CG 3.34Å; S43-L47 PolarHBondContact O-N 3.3Å; S43-S77 WeakPolarHBondContact CB-OG 3.17Å; S43-T78 WeakPolarHBondContact CA-OG1 3.4Å; S43-T78 WeakPolarHBondContact CB-OG1 3.43Å; S43-T78 PolarHBondContact N-OG1 3.36Å |
| 44 | A | 75.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -35.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I15 I34 L35 C41 K48 | I15-A44 HydrophobicContact CD1-CB 4.21Å; I34-A44 HydrophobicContact CG2-CB 3.8Å; L35-A44 HydrophobicContact CD2-CB 3.82Å; L35-A44 HydrophobicContact CG-CB 4.07Å; C41-A44 HydrophobicContact CB-CB 4.18Å; C41-A44 PolarHBondContact O-N 3Å; A44-K48 WeakPolarHBondContact O-CB 3.43Å; A44-K48 PolarHBondContact O-N 3Å |
| 45 | K | 79.6 | Confident | 77 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 173.4 | -69.3 | -173.5 | -177.3 | 174.4 | 0 | 111.2 | L35 P39 C41 T42 S43 K48 A49 L68 | L35-K45 HydrophobicContact CD1-CG 4.2Å; L35-K45 HydrophobicContact CD2-CB 4.41Å; L35-K45 HydrophobicContact CD2-CG 3.44Å; L35-K45 VanDerWaalsContact CD2-CG 3.44Å; L35-K45 HydrophobicContact CG-CG 4.48Å; P39-K45 WeakPolarHBondContact O-CE 3.35Å; P39-K45 PolarHBondContact O-NZ 3.23Å; C41-K45 PolarHBondContact O-N 3.31Å; T42-K45 WeakPolarHBondContact O-CB 3.06Å; T42-K45 PolarHBondContact O-N 2.77Å; S43-K45 VanDerWaalsContact C-N 3.34Å; S43-K45 PolarHBondContact O-N 2.95Å; K45-K48 WeakPolarHBondContact O-CB 3.32Å; K45-K48 PolarHBondContact O-N 3.44Å; K45-A49 PolarHBondContact O-N 3.43Å; K45-L68 HydrophobicContact CB-CD1 3.89Å; K45-L68 HydrophobicContact CB-CD2 3.73Å; K45-L68 HydrophobicContact CB-CG 4.23Å; K45-L68 HydrophobicContact CD-CD2 4.2Å |
| 46 | A | 76.6 | Confident | 76.6 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T42 S43 K48 A49 L50 L68 T78 V81 I82 | T42-A46 PolarHBondContact O-N 3.32Å; S43-A46 PolarHBondContact O-N 2.9Å; A46-K48 VanDerWaalsContact C-N 3.3Å; A46-K48 PolarHBondContact O-N 2.78Å; A46-A49 PolarHBondContact O-N 2.88Å; A46-L50 PolarHBondContact O-N 3.48Å; A46-L68 HydrophobicContact CB-CD1 4.03Å; A46-T78 HydrophobicContact CB-CG2 4Å; A46-V81 HydrophobicContact CB-CB 3.82Å; A46-V81 HydrophobicContact CB-CG1 3.46Å; A46-V81 VanDerWaalsContact CB-CG1 3.46Å; A46-I82 HydrophobicContact CB-CG1 4.42Å |
| 47 | L | 78 | Confident | 76.5 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 174.7 | -75.3 | 172.7 | 0 | 0 | 0 | 111.6 | L5 F7 L12 I15 V16 S43 L50 T51 V81 | L5-L47 HydrophobicContact CD1-CD2 4.26Å; F7-L47 HydrophobicContact CE2-CD1 4.41Å; L12-L47 HydrophobicContact CB-CD1 4.46Å; L12-L47 HydrophobicContact CD2-CD1 3.92Å; I15-L47 HydrophobicContact CB-CD1 4.12Å; I15-L47 HydrophobicContact CD1-CB 4.49Å; I15-L47 HydrophobicContact CD1-CD1 4Å; I15-L47 HydrophobicContact CG2-CB 4.04Å; I15-L47 HydrophobicContact CG2-CD1 4.17Å; V16-L47 HydrophobicContact CG2-CD1 4.3Å; V16-L47 HydrophobicContact CG2-CD2 4.41Å; S43-L47 WeakPolarHBondContact O-CG 3.34Å; S43-L47 PolarHBondContact O-N 3.3Å; L47-L50 PolarHBondContact O-N 3.02Å; L47-T51 WeakPolarHBondContact O-CB 3.41Å; L47-T51 PolarHBondContact O-N 3.49Å; L47-T51 PolarHBondContact O-OG1 3.12Å; L47-V81 HydrophobicContact CD2-CG1 3.88Å; L47-V81 HydrophobicContact CD2-CG2 3.78Å; L47-V81 HydrophobicContact CG-CG1 4.05Å; L47-V81 HydrophobicContact CG-CG2 3.91Å |
| 48 | K | 82.1 | Confident | 76.4 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 172.7 | 179.2 | 175.7 | 173 | 173.7 | 0 | 111.7 | L28 A31 N32 L35 A44 K45 A46 T51 L52 | L28-K48 HydrophobicContact CD2-CG 4.11Å; A31-K48 HydrophobicContact CB-CB 4.21Å; N32-K48 WeakPolarHBondContact OD1-CE 3.26Å; N32-K48 PolarHBondContact OD1-NZ 2.7Å; L35-K48 HydrophobicContact CD1-CB 4.4Å; L35-K48 HydrophobicContact CD1-CD 3.73Å; A44-K48 WeakPolarHBondContact O-CB 3.43Å; A44-K48 PolarHBondContact O-N 3Å; K45-K48 WeakPolarHBondContact O-CB 3.32Å; K45-K48 PolarHBondContact O-N 3.44Å; A46-K48 VanDerWaalsContact C-N 3.3Å; A46-K48 PolarHBondContact O-N 2.78Å; K48-T51 PolarHBondContact O-N 2.82Å; K48-L52 HydrophobicContact CG-CD1 4.08Å; K48-L52 HydrophobicContact CG-CG 4.42Å; K48-L52 WeakPolarHBondContact O-CB 3.48Å; K48-L52 WeakPolarHBondContact O-CG 3.46Å; K48-L52 PolarHBondContact O-N 3.07Å |
| 49 | A | 81 | Confident | 76.4 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K45 A46 T51 L52 H53 A61 L64 A65 Y85 | K45-A49 PolarHBondContact O-N 3.43Å; A46-A49 PolarHBondContact O-N 2.88Å; A49-T51 PolarHBondContact O-N 3.4Å; A49-L52 PolarHBondContact O-N 3.41Å; A49-H53 PolarHBondContact O-N 3.36Å; A49-A61 WeakPolarHBondContact O-CB 3.46Å; A49-L64 HydrophobicContact CB-CB 4.14Å; A49-A65 HydrophobicContact CB-CB 4.41Å; A49-Y85 HydrophobicContact CB-CE2 4.43Å |
| 50 | L | 78 | Confident | 76.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 174.9 | -174.2 | 70.6 | 0 | 0 | 0 | 112.4 | F19 A46 L47 H53 R54 Y85 K88 | F19-L50 HydrophobicContact CE1-CD2 4Å; F19-L50 HydrophobicContact CE2-CD2 4.04Å; F19-L50 HydrophobicContact CE2-CG 3.87Å; F19-L50 HydrophobicContact CZ-CD1 4.5Å; F19-L50 HydrophobicContact CZ-CD2 3.55Å; F19-L50 HydrophobicContact CZ-CG 3.64Å; A46-L50 PolarHBondContact O-N 3.48Å; L47-L50 PolarHBondContact O-N 3.02Å; L50-H53 PolarHBondContact O-N 2.97Å; L50-R54 PolarHBondContact O-N 3.21Å; L50-R54 VanDerWaalsContact O-N 3.08Å; L50-Y85 HydrophobicContact CB-CD2 4.49Å; L50-Y85 HydrophobicContact CD1-CD2 4.29Å; L50-K88 HydrophobicContact CD1-CB 4.34Å; L50-K88 HydrophobicContact CD1-CG 4.28Å |
| 51 | T | 80.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.9 | -40.8 | 178.2 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | F19 Y24 A27 L28 L47 K48 A49 H53 R54 S55 | F19-T51 HydrophobicContact CD2-CG2 4.21Å; F19-T51 WeakPolarHBondContact CD2-OG1 3.42Å; Y24-T51 HydrophobicContact CD1-CG2 4.23Å; A27-T51 HydrophobicContact CB-CG2 3.7Å; L28-T51 HydrophobicContact CD1-CG2 4.42Å; L28-T51 HydrophobicContact CD2-CG2 4Å; L28-T51 HydrophobicContact CG-CG2 3.66Å; L47-T51 WeakPolarHBondContact O-CB 3.41Å; L47-T51 PolarHBondContact O-N 3.49Å; L47-T51 PolarHBondContact O-OG1 3.12Å; K48-T51 PolarHBondContact O-N 2.82Å; A49-T51 PolarHBondContact O-N 3.4Å; T51-H53 VanDerWaalsContact C-N 3.34Å; T51-H53 PolarHBondContact O-N 2.96Å; T51-R54 PolarHBondContact O-N 3.21Å; T51-S55 WeakPolarHBondContact O-CB 3.38Å; T51-S55 PolarHBondContact O-N 3.26Å; T51-S55 PolarHBondContact O-OG 3.01Å |
| 52 | L | 81.7 | Confident | 77.2 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 175.1 | -76.7 | 170 | 0 | 0 | 0 | 111.2 | L28 K48 A49 R54 S55 G56 K57 E60 A61 L64 | L28-L52 HydrophobicContact CD1-CD2 4.15Å; L28-L52 HydrophobicContact CD2-CD2 3.85Å; L28-L52 HydrophobicContact CD2-CG 3.84Å; K48-L52 HydrophobicContact CG-CD1 4.08Å; K48-L52 HydrophobicContact CG-CG 4.42Å; K48-L52 WeakPolarHBondContact O-CB 3.48Å; K48-L52 WeakPolarHBondContact O-CG 3.46Å; K48-L52 PolarHBondContact O-N 3.07Å; A49-L52 PolarHBondContact O-N 3.41Å; L52-R54 PolarHBondContact O-N 3.16Å; L52-S55 WeakPolarHBondContact CA-OG 3.39Å; L52-S55 PolarHBondContact O-N 3.35Å; L52-S55 VanDerWaalsContact O-N 3.17Å; L52-S55 PolarHBondContact O-OG 2.78Å; L52-G56 PolarHBondContact O-N 3.43Å; L52-K57 HydrophobicContact CD2-CB 4.28Å; L52-K57 HydrophobicContact CD2-CD 3.82Å; L52-K57 PolarHBondContact O-N 3.19Å; L52-K57 VanDerWaalsContact O-N 3.07Å; L52-E60 HydrophobicContact CD1-CB 4.34Å; L52-A61 HydrophobicContact CB-CB 3.84Å; L52-L64 HydrophobicContact CD1-CD1 3.37Å |
| 53 | H | 76.3 | Confident | 77.3 | Confident | 39 Ų | 39 | 44 Ų | 44 | 18% | 0.181 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 177 | -173.1 | 71.5 | 0 | 0 | 0 | 111.4 | A49 L50 T51 S55 G56 A61 Y85 | A49-H53 PolarHBondContact O-N 3.36Å; L50-H53 PolarHBondContact O-N 2.97Å; T51-H53 VanDerWaalsContact C-N 3.34Å; T51-H53 PolarHBondContact O-N 2.96Å; H53-S55 VanDerWaalsContact C-N 3.27Å; H53-S55 PolarHBondContact O-N 3.25Å; H53-G56 PolarHBondContact O-N 3.01Å; H53-G56 VanDerWaalsContact O-N 3.11Å; H53-A61 HydrophobicContact CB-CB 3.82Å; H53-Y85 HydrophobicContact CB-CE2 4.04Å |
| 54 | R | 73.5 | Confident | 77.6 | Confident | 77 Ų | 77 | 45.8 Ų | 45.8 | 29% | 0.291 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.3 | -26.3 | 176.5 | -71.9 | -61.9 | -158.6 | 133.1 | 13.2 | 113.9 | F19 Y24 L50 T51 L52 G56 | F19-R54 HydrophobicContact CE2-CB 4.24Å; F19-R54 HydrophobicContact CE2-CG 3.87Å; F19-R54 HydrophobicContact CZ-CG 3.87Å; Y24-R54 HydrophobicContact CD1-CB 4.12Å; Y24-R54 HydrophobicContact CE1-CB 3.75Å; Y24-R54 HydrophobicContact CE1-CG 4.4Å; Y24-R54 HydrophobicContact CE2-CB 4.19Å; L50-R54 PolarHBondContact O-N 3.21Å; L50-R54 VanDerWaalsContact O-N 3.08Å; T51-R54 PolarHBondContact O-N 3.21Å; L52-R54 PolarHBondContact O-N 3.16Å; R54-G56 PolarHBondContact O-N 3.32Å |
| 55 | S | 76.5 | Confident | 77.5 | Confident | 46 Ų | 46 | 46 Ų | 46 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0.7 | 174 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | T51 L52 H53 | T51-S55 WeakPolarHBondContact O-CB 3.38Å; T51-S55 PolarHBondContact O-N 3.26Å; T51-S55 PolarHBondContact O-OG 3.01Å; L52-S55 WeakPolarHBondContact CA-OG 3.39Å; L52-S55 PolarHBondContact O-N 3.35Å; L52-S55 VanDerWaalsContact O-N 3.17Å; L52-S55 PolarHBondContact O-OG 2.78Å; H53-S55 VanDerWaalsContact C-N 3.27Å; H53-S55 PolarHBondContact O-N 3.25Å |
| 56 | G | 71.9 | Confident | 77.4 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -2.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L52 H53 R54 I58 | L52-G56 PolarHBondContact O-N 3.43Å; H53-G56 PolarHBondContact O-N 3.01Å; H53-G56 VanDerWaalsContact O-N 3.11Å; R54-G56 PolarHBondContact O-N 3.32Å; G56-I58 VanDerWaalsContact C-N 3.31Å; G56-I58 PolarHBondContact O-N 2.77Å |
| 57 | K | 78.6 | Confident | 77.3 | Confident | 102 Ų | 102 | 52.2 Ų | 52.2 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | trans | -85.9 | 68 | 178.4 | -67.4 | -174.4 | 161.3 | -145.1 | 0 | 111.8 | L52 T59 E60 A61 | L52-K57 HydrophobicContact CD2-CB 4.28Å; L52-K57 HydrophobicContact CD2-CD 3.82Å; L52-K57 PolarHBondContact O-N 3.19Å; L52-K57 VanDerWaalsContact O-N 3.07Å; K57-T59 PolarHBondContact O-N 3.28Å; K57-E60 HydrophobicContact CB-CB 4.49Å; K57-E60 IonicContact NZ-OE1 2.86Å; K57-E60 PolarHBondContact NZ-OE1 3.12Å; K57-E60 IonicContact NZ-OE2 2.74Å; K57-E60 PolarHBondContact NZ-OE2 2.99Å; K57-A61 WeakPolarHBondContact O-CB 3.34Å; K57-A61 PolarHBondContact O-N 3.47Å; K57-A61 VanDerWaalsContact O-N 3.09Å | ||
| 58 | I | 75.6 | Confident | 77 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 46% | 0.456 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | -169.2 | -58.2 | 169.4 | 0 | 0 | 0 | 112.5 | G56 A61 N62 | G56-I58 VanDerWaalsContact C-N 3.31Å; G56-I58 PolarHBondContact O-N 2.77Å; I58-A61 PolarHBondContact O-N 2.96Å; I58-N62 WeakPolarHBondContact O-CB 3.48Å; I58-N62 VanDerWaalsContact O-CG 3.31Å; I58-N62 PolarHBondContact O-N 3.21Å; I58-N62 PolarHBondContact O-ND2 3.27Å |
| 59 | T | 75.4 | Confident | 76.5 | Confident | 109 Ų | 109 | 51.9 Ų | 51.9 | 67% | 0.669 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.2 | -48.7 | -177.7 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | K57 A61 N62 L63 | K57-T59 PolarHBondContact O-N 3.28Å; T59-A61 VanDerWaalsContact C-N 3.28Å; T59-A61 PolarHBondContact O-N 3.16Å; T59-N62 PolarHBondContact O-N 2.98Å; T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 3.24Å; T59-L63 VanDerWaalsContact O-N 3.08Å |
| 60 | E | 78.5 | Confident | 76 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 174.8 | -68.1 | 179.2 | -154 | 0 | 0 | 111.1 | L52 K57 L64 | L52-E60 HydrophobicContact CD1-CB 4.34Å; K57-E60 HydrophobicContact CB-CB 4.49Å; K57-E60 IonicContact NZ-OE1 2.86Å; K57-E60 PolarHBondContact NZ-OE1 3.12Å; K57-E60 IonicContact NZ-OE2 2.74Å; K57-E60 PolarHBondContact NZ-OE2 2.99Å; E60-L64 PolarHBondContact O-N 3.46Å; E60-L64 VanDerWaalsContact O-N 3.16Å |
| 61 | A | 77.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A49 L52 H53 K57 I58 T59 L64 A65 | A49-A61 WeakPolarHBondContact O-CB 3.46Å; L52-A61 HydrophobicContact CB-CB 3.84Å; H53-A61 HydrophobicContact CB-CB 3.82Å; K57-A61 WeakPolarHBondContact O-CB 3.34Å; K57-A61 PolarHBondContact O-N 3.47Å; K57-A61 VanDerWaalsContact O-N 3.09Å; I58-A61 PolarHBondContact O-N 2.96Å; T59-A61 VanDerWaalsContact C-N 3.28Å; T59-A61 PolarHBondContact O-N 3.16Å; A61-L64 PolarHBondContact O-N 2.92Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.08Å; A61-A65 PolarHBondContact O-N 3.29Å |
| 62 | N | 76.5 | Confident | 74.7 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 179.1 | -75.7 | -21.1 | 0 | 0 | 0 | 111.8 | I58 T59 L64 A65 D66 Y85 | I58-N62 WeakPolarHBondContact O-CB 3.48Å; I58-N62 VanDerWaalsContact O-CG 3.31Å; I58-N62 PolarHBondContact O-N 3.21Å; I58-N62 PolarHBondContact O-ND2 3.27Å; T59-N62 PolarHBondContact O-N 2.98Å; N62-L64 PolarHBondContact O-N 3.01Å; N62-A65 PolarHBondContact O-N 3.44Å; N62-D66 WeakPolarHBondContact O-CB 3.38Å; N62-D66 VanDerWaalsContact O-CG 3.26Å; N62-D66 PolarHBondContact O-N 3.08Å; N62-Y85 PolarHBondContact OD1-OH 3.41Å |
| 63 | L | 78.3 | Confident | 73.6 | Confident | 119 Ų | 119 | 66.3 Ų | 66.3 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 177.2 | -72.4 | 171.4 | 0 | 0 | 0 | 111.9 | T59 D66 E67 | T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 3.24Å; T59-L63 VanDerWaalsContact O-N 3.08Å; L63-D66 PolarHBondContact O-N 3.37Å; L63-E67 WeakPolarHBondContact O-CG 3.45Å; L63-E67 PolarHBondContact O-N 3.17Å |
| 64 | L | 78 | Confident | 72.7 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.22 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 176.7 | -80.5 | 166.7 | 0 | 0 | 0 | 112.3 | A49 L52 E60 A61 N62 L68 | A49-L64 HydrophobicContact CB-CB 4.14Å; L52-L64 HydrophobicContact CD1-CD1 3.37Å; E60-L64 PolarHBondContact O-N 3.46Å; E60-L64 VanDerWaalsContact O-N 3.16Å; A61-L64 PolarHBondContact O-N 2.92Å; N62-L64 PolarHBondContact O-N 3.01Å; L64-L68 WeakPolarHBondContact O-CD1 3.19Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.48Å; L64-L68 VanDerWaalsContact O-N 3.09Å |
| 65 | A | 73.7 | Confident | 72.3 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A49 A61 N62 E67 L68 I69 Y85 | A49-A65 HydrophobicContact CB-CB 4.41Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.08Å; A61-A65 PolarHBondContact O-N 3.29Å; N62-A65 PolarHBondContact O-N 3.44Å; A65-E67 PolarHBondContact O-N 2.96Å; A65-L68 WeakPolarHBondContact O-CB 3.36Å; A65-L68 PolarHBondContact O-N 3.41Å; A65-L68 VanDerWaalsContact O-N 3.17Å; A65-I69 HydrophobicContact CB-CD1 4.42Å; A65-I69 WeakPolarHBondContact O-CB 3.41Å; A65-I69 VanDerWaalsContact O-CD1 3.3Å; A65-I69 WeakPolarHBondContact O-CD1 3.45Å; A65-I69 WeakPolarHBondContact O-CG1 3.43Å; A65-I69 PolarHBondContact O-N 3.27Å; A65-Y85 HydrophobicContact CB-CD1 4.04Å; A65-Y85 HydrophobicContact CB-CE1 3.41Å; A65-Y85 VanDerWaalsContact CB-CE1 3.41Å; A65-Y85 HydrophobicContact CB-CE2 4.08Å; A65-Y85 VanDerWaalsContact CB-CZ 3.44Å |
| 66 | D | 76.1 | Confident | 71.6 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 178.5 | -74.5 | -20.4 | 0 | 0 | 0 | 111.9 | N62 L63 I69 K70 | N62-D66 WeakPolarHBondContact O-CB 3.38Å; N62-D66 VanDerWaalsContact O-CG 3.26Å; N62-D66 PolarHBondContact O-N 3.08Å; L63-D66 PolarHBondContact O-N 3.37Å; D66-I69 PolarHBondContact O-N 3.02Å; D66-K70 VanDerWaalsContact O-CB 3.31Å; D66-K70 WeakPolarHBondContact O-CB 3.21Å; D66-K70 VanDerWaalsContact O-CG 3.22Å; D66-K70 WeakPolarHBondContact O-CG 3.44Å; D66-K70 PolarHBondContact O-N 3.03Å |
| 67 | E | 75.7 | Confident | 71.3 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 171.3 | -78.1 | -174.8 | 171.7 | 0 | 0 | 111.9 | L63 A65 K70 S71 | L63-E67 WeakPolarHBondContact O-CG 3.45Å; L63-E67 PolarHBondContact O-N 3.17Å; A65-E67 PolarHBondContact O-N 2.96Å; E67-K70 PolarHBondContact O-N 3.25Å; E67-S71 PolarHBondContact O-N 3.14Å; E67-S71 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 71.7 | Confident | 70.9 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 177 | -76.2 | 161.6 | 0 | 0 | 0 | 111.8 | K45 A46 L64 A65 K70 S71 Y72 P73 | K45-L68 HydrophobicContact CB-CD1 3.89Å; K45-L68 HydrophobicContact CB-CD2 3.73Å; K45-L68 HydrophobicContact CB-CG 4.23Å; K45-L68 HydrophobicContact CD-CD2 4.2Å; A46-L68 HydrophobicContact CB-CD1 4.03Å; L64-L68 WeakPolarHBondContact O-CD1 3.19Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.48Å; L64-L68 VanDerWaalsContact O-N 3.09Å; A65-L68 WeakPolarHBondContact O-CB 3.36Å; A65-L68 PolarHBondContact O-N 3.41Å; A65-L68 VanDerWaalsContact O-N 3.17Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.13Å; L68-S71 WeakPolarHBondContact O-CB 3.2Å; L68-S71 PolarHBondContact O-N 2.74Å; L68-S71 PolarHBondContact O-OG 3.46Å; L68-Y72 PolarHBondContact O-N 3.45Å; L68-P73 VanDerWaalsContact O-CD 3.22Å; L68-P73 WeakPolarHBondContact O-CD 3.47Å |
| 69 | I | 70.8 | Confident | 70.6 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 178.7 | -68 | 157.7 | 0 | 0 | 0 | 110 | A65 D66 S71 Y72 F86 F98 | A65-I69 HydrophobicContact CB-CD1 4.42Å; A65-I69 WeakPolarHBondContact O-CB 3.41Å; A65-I69 VanDerWaalsContact O-CD1 3.3Å; A65-I69 WeakPolarHBondContact O-CD1 3.45Å; A65-I69 WeakPolarHBondContact O-CG1 3.43Å; A65-I69 PolarHBondContact O-N 3.27Å; D66-I69 PolarHBondContact O-N 3.02Å; I69-S71 PolarHBondContact O-N 3.19Å; I69-Y72 WeakPolarHBondContact O-CD2 3.22Å; I69-Y72 PolarHBondContact O-N 3.3Å; I69-Y72 VanDerWaalsContact O-N 3.12Å; I69-F86 HydrophobicContact CD1-CE1 3.69Å; I69-F86 HydrophobicContact CD1-CE2 4.36Å; I69-F86 HydrophobicContact CD1-CZ 3.36Å; I69-F86 HydrophobicContact CG1-CE2 4.48Å; I69-F86 HydrophobicContact CG1-CZ 3.84Å; I69-F98 HydrophobicContact CG2-CD2 3.95Å; I69-F98 HydrophobicContact CG2-CE2 4.08Å |
| 70 | K | 71.5 | Confident | 70.2 | Confident | 164 Ų | 164 | 57 Ų | 57 | 71% | 0.713 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.4 | -23.7 | 174.8 | -75.8 | 175.2 | -177.7 | 176.6 | 0 | 113.7 | D66 E67 L68 Y72 | D66-K70 VanDerWaalsContact O-CB 3.31Å; D66-K70 WeakPolarHBondContact O-CB 3.21Å; D66-K70 VanDerWaalsContact O-CG 3.22Å; D66-K70 WeakPolarHBondContact O-CG 3.44Å; D66-K70 PolarHBondContact O-N 3.03Å; E67-K70 PolarHBondContact O-N 3.25Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.13Å; K70-Y72 VanDerWaalsContact C-N 3.3Å; K70-Y72 WeakPolarHBondContact O-CD2 3.34Å; K70-Y72 WeakPolarHBondContact O-CE2 3.43Å |
| 71 | S | 66.3 | Low | 69.8 | Low | 66 Ų | 66 | 53 Ų | 53 | 46% | 0.462 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -78.8 | -12.3 | 175.4 | 74.5 | 0 | 0 | 0 | 0 | 113.6 | E67 L68 I69 | E67-S71 PolarHBondContact O-N 3.14Å; E67-S71 VanDerWaalsContact O-N 3.08Å; L68-S71 WeakPolarHBondContact O-CB 3.2Å; L68-S71 PolarHBondContact O-N 2.74Å; L68-S71 PolarHBondContact O-OG 3.46Å; I69-S71 PolarHBondContact O-N 3.19Å |
| 72 | Y | 63.4 | Low | 69.5 | Low | 71 Ų | 71 | 53.3 Ų | 53.3 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | trans | 44.3 | 65 | -178.2 | -63.5 | -94.1 | 0 | 0 | 0 | 113.3 | L68 I69 K70 T74 F98 R105 | L68-Y72 PolarHBondContact O-N 3.45Å; I69-Y72 WeakPolarHBondContact O-CD2 3.22Å; I69-Y72 PolarHBondContact O-N 3.3Å; I69-Y72 VanDerWaalsContact O-N 3.12Å; K70-Y72 VanDerWaalsContact C-N 3.3Å; K70-Y72 WeakPolarHBondContact O-CD2 3.34Å; K70-Y72 WeakPolarHBondContact O-CE2 3.43Å; Y72-T74 PolarHBondContact O-N 2.84Å; Y72-F98 HydrophobicContact CD1-CE2 4.46Å; Y72-R105 VanDerWaalsContact CD2-NH2 3.34Å; Y72-R105 VanDerWaalsContact CE2-CZ 3.47Å | ||
| 73 | P | 60.3 | Low | 69.2 | Low | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.071 | 26% | 0.263 | C | S | . | . | trans | -64.9 | 133.4 | -178.7 | 25.5 | -32.6 | 0 | 0 | 0 | 110.9 | T42 L68 T78 I82 | T42-P73 HydrophobicContact CG2-CB 4.31Å; L68-P73 VanDerWaalsContact O-CD 3.22Å; L68-P73 WeakPolarHBondContact O-CD 3.47Å; P73-T78 HydrophobicContact CB-CG2 3.62Å; P73-T78 HydrophobicContact CG-CG2 3.42Å; P73-T78 VanDerWaalsContact CG-CG2 3.42Å; P73-I82 HydrophobicContact CG-CD1 3.48Å; P73-I82 VanDerWaalsContact CG-CD1 3.48Å | ||
| 74 | T | 56.9 | Low | 68.7 | Low | 77 Ų | 77 | 46.2 Ų | 46.2 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | trans | -98.9 | -0 | -177.3 | 48 | 0 | 0 | 0 | 0 | 113.6 | Y72 R109 | Y72-T74 PolarHBondContact O-N 2.84Å; T74-R109 PolarHBondContact O-NH1 3.08Å; T74-R109 PolarHBondContact O-NH2 3.17Å | ||
| 75 | D | 65.5 | Low | 68.5 | Low | 45 Ų | 45 | 44.7 Ų | 44.7 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | trans | -84.8 | 132 | -179.4 | 69.5 | -77 | 0 | 0 | 0 | 111.4 | T42 S77 T78 L79 | T42-D75 PolarHBondContact OG1-OD1 3.37Å; D75-S77 PolarHBondContact O-N 3.3Å; D75-S77 PolarHBondContact OD2-OG 3.25Å; D75-T78 VanDerWaalsContact CG-CB 3.4Å; D75-T78 PolarHBondContact O-N 2.86Å; D75-T78 VanDerWaalsContact O-N 3.13Å; D75-T78 WeakPolarHBondContact OD1-CB 3.45Å; D75-T78 PolarHBondContact OD1-OG1 3.44Å; D75-T78 WeakPolarHBondContact OD2-CA 3.46Å; D75-T78 WeakPolarHBondContact OD2-CB 3.49Å; D75-T78 PolarHBondContact OD2-N 3.09Å; D75-T78 PolarHBondContact OD2-OG1 2.94Å; D75-L79 PolarHBondContact O-N 3.47Å | ||
| 76 | E | 60.9 | Low | 68.3 | Low | 120 Ų | 120 | 44.7 Ų | 44.7 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -53.4 | -40.3 | -177.5 | -173.8 | -172.7 | 172.5 | 0 | 0 | 111.7 | L79 N80 | E76-L79 PolarHBondContact O-N 2.99Å; E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 2.97Å; E76-N80 PolarHBondContact O-ND2 3.44Å |
| 77 | S | 65.3 | Low | 67.9 | Low | 26 Ų | 26 | 46.1 Ų | 46.1 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | -179.5 | 73.3 | 0 | 0 | 0 | 0 | 112.5 | S43 D75 V81 | S43-S77 WeakPolarHBondContact CB-OG 3.17Å; D75-S77 PolarHBondContact O-N 3.3Å; D75-S77 PolarHBondContact OD2-OG 3.25Å; S77-V81 VanDerWaalsContact O-CG2 3.23Å; S77-V81 WeakPolarHBondContact O-CG2 3.47Å; S77-V81 PolarHBondContact O-N 3.29Å |
| 78 | T | 69.9 | Low | 67.5 | Low | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71 | -39.5 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | T42 S43 A46 P73 D75 N80 V81 I82 | T42-T78 WeakPolarHBondContact CB-OG1 3.44Å; T42-T78 PolarHBondContact OG1-OG1 3.1Å; T42-T78 VanDerWaalsContact OG1-OG1 3.06Å; S43-T78 WeakPolarHBondContact CA-OG1 3.4Å; S43-T78 WeakPolarHBondContact CB-OG1 3.43Å; S43-T78 PolarHBondContact N-OG1 3.36Å; A46-T78 HydrophobicContact CB-CG2 4Å; P73-T78 HydrophobicContact CB-CG2 3.62Å; P73-T78 HydrophobicContact CG-CG2 3.42Å; P73-T78 VanDerWaalsContact CG-CG2 3.42Å; D75-T78 VanDerWaalsContact CG-CB 3.4Å; D75-T78 PolarHBondContact O-N 2.86Å; D75-T78 VanDerWaalsContact O-N 3.13Å; D75-T78 WeakPolarHBondContact OD1-CB 3.45Å; D75-T78 PolarHBondContact OD1-OG1 3.44Å; D75-T78 WeakPolarHBondContact OD2-CA 3.46Å; D75-T78 WeakPolarHBondContact OD2-CB 3.49Å; D75-T78 PolarHBondContact OD2-N 3.09Å; D75-T78 PolarHBondContact OD2-OG1 2.94Å; T78-N80 PolarHBondContact O-N 3.3Å; T78-V81 PolarHBondContact O-N 2.81Å; T78-I82 HydrophobicContact CG2-CD1 3.72Å; T78-I82 HydrophobicContact CG2-CG1 4.11Å; T78-I82 WeakPolarHBondContact O-CB 3.32Å; T78-I82 WeakPolarHBondContact O-CG1 3.42Å; T78-I82 PolarHBondContact O-N 3.45Å |
| 79 | L | 69.5 | Low | 67.3 | Low | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 177.8 | -164.8 | 104.6 | 0 | 0 | 0 | 111.1 | D75 E76 V81 I82 I83 F98 L99 L112 C115 | D75-L79 PolarHBondContact O-N 3.47Å; E76-L79 PolarHBondContact O-N 2.99Å; L79-V81 VanDerWaalsContact C-N 3.29Å; L79-V81 PolarHBondContact O-N 2.83Å; L79-I82 PolarHBondContact O-N 3.05Å; L79-I83 HydrophobicContact CD2-CD1 3.78Å; L79-I83 HydrophobicContact CG-CD1 4.12Å; L79-I83 WeakPolarHBondContact O-CB 3.37Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.41Å; L79-I83 PolarHBondContact O-N 3.38Å; L79-F98 HydrophobicContact CD1-CE1 3.92Å; L79-L99 HydrophobicContact CD1-CD2 3.94Å; L79-L99 HydrophobicContact CD2-CD2 3.81Å; L79-L99 HydrophobicContact CG-CD2 4.13Å; L79-L112 HydrophobicContact CD1-CD2 3.49Å; L79-L112 VanDerWaalsContact CD1-CD2 3.49Å; L79-L112 HydrophobicContact CD2-CD2 3.81Å; L79-L112 HydrophobicContact CG-CD2 4.26Å; L79-C115 HydrophobicContact CD2-CB 4.07Å |
| 80 | N | 67.9 | Low | 67 | Low | 53 Ų | 53 | 46.3 Ų | 46.3 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.6 | -38 | 177 | -75.7 | -28.2 | 0 | 0 | 0 | 112.3 | L5 E76 T78 C84 | L5-N80 HydrophobicContact CD2-CB 3.9Å; E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 2.97Å; E76-N80 PolarHBondContact O-ND2 3.44Å; T78-N80 PolarHBondContact O-N 3.3Å; N80-C84 WeakPolarHBondContact O-CB 3.49Å; N80-C84 PolarHBondContact O-N 2.91Å |
| 81 | V | 69.8 | Low | 66.9 | Low | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71 | -38.6 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 112 | L5 F7 A46 L47 S77 T78 L79 C84 Y85 | L5-V81 HydrophobicContact CD1-CG2 4.41Å; L5-V81 HydrophobicContact CD2-CG2 4.38Å; F7-V81 HydrophobicContact CE1-CG2 4.19Å; F7-V81 HydrophobicContact CZ-CG2 3.57Å; A46-V81 HydrophobicContact CB-CB 3.82Å; A46-V81 HydrophobicContact CB-CG1 3.46Å; A46-V81 VanDerWaalsContact CB-CG1 3.46Å; L47-V81 HydrophobicContact CD2-CG1 3.88Å; L47-V81 HydrophobicContact CD2-CG2 3.78Å; L47-V81 HydrophobicContact CG-CG1 4.05Å; L47-V81 HydrophobicContact CG-CG2 3.91Å; S77-V81 VanDerWaalsContact O-CG2 3.23Å; S77-V81 WeakPolarHBondContact O-CG2 3.47Å; S77-V81 PolarHBondContact O-N 3.29Å; T78-V81 PolarHBondContact O-N 2.81Å; L79-V81 VanDerWaalsContact C-N 3.29Å; L79-V81 PolarHBondContact O-N 2.83Å; V81-C84 WeakPolarHBondContact O-CB 3.35Å; V81-C84 PolarHBondContact O-N 3.15Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 3.22Å |
| 82 | I | 71.9 | Confident | 66.9 | Low | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.2 | -71.6 | 174.5 | 0 | 0 | 0 | 110.6 | A46 P73 T78 L79 C84 Y85 F86 F98 | A46-I82 HydrophobicContact CB-CG1 4.42Å; P73-I82 HydrophobicContact CG-CD1 3.48Å; P73-I82 VanDerWaalsContact CG-CD1 3.48Å; T78-I82 HydrophobicContact CG2-CD1 3.72Å; T78-I82 HydrophobicContact CG2-CG1 4.11Å; T78-I82 WeakPolarHBondContact O-CB 3.32Å; T78-I82 WeakPolarHBondContact O-CG1 3.42Å; T78-I82 PolarHBondContact O-N 3.45Å; L79-I82 PolarHBondContact O-N 3.05Å; I82-C84 VanDerWaalsContact C-N 3.29Å; I82-C84 PolarHBondContact O-N 3.3Å; I82-Y85 WeakPolarHBondContact O-CB 3.08Å; I82-Y85 PolarHBondContact O-N 3.23Å; I82-Y85 VanDerWaalsContact O-N 3.14Å; I82-F86 HydrophobicContact CG2-CD2 3.6Å; I82-F86 HydrophobicContact CG2-CE2 3.3Å; I82-F86 HydrophobicContact CG2-CZ 4.2Å; I82-F86 WeakPolarHBondContact O-CD2 3.14Å; I82-F86 PolarHBondContact O-N 2.9Å; I82-F98 HydrophobicContact CB-CE1 4.45Å; I82-F98 HydrophobicContact CD1-CE1 4.32Å; I82-F98 HydrophobicContact CD1-CZ 3.88Å; I82-F98 HydrophobicContact CG2-CD1 4.08Å; I82-F98 HydrophobicContact CG2-CE1 3.79Å; I82-F98 HydrophobicContact CG2-CZ 4.14Å |
| 83 | I | 70.1 | Confident | 67.3 | Low | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 173.2 | -68.3 | 167.4 | 0 | 0 | 0 | 109.5 | L79 Y85 F86 R87 I95 L99 | L79-I83 HydrophobicContact CD2-CD1 3.78Å; L79-I83 HydrophobicContact CG-CD1 4.12Å; L79-I83 WeakPolarHBondContact O-CB 3.37Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.41Å; L79-I83 PolarHBondContact O-N 3.38Å; I83-Y85 VanDerWaalsContact C-N 3.33Å; I83-Y85 PolarHBondContact O-N 2.93Å; I83-F86 PolarHBondContact O-N 2.93Å; I83-R87 HydrophobicContact CG2-CG 4.5Å; I83-R87 WeakPolarHBondContact O-CB 3.34Å; I83-R87 WeakPolarHBondContact O-CG 3.46Å; I83-R87 PolarHBondContact O-N 3.1Å; I83-I95 HydrophobicContact CG1-CG2 4.04Å; I83-I95 HydrophobicContact CG2-CD1 4.34Å; I83-I95 HydrophobicContact CG2-CG2 4.34Å; I83-L99 HydrophobicContact CD1-CD2 4.39Å |
| 84 | C | 68.5 | Low | 67.8 | Low | 13 Ų | 13 | 48.3 Ų | 48.3 | 9% | 0.088 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 175.6 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | V3 N80 V81 I82 R87 K88 | V3-C84 WeakPolarHBondContact CG1-SG 3.47Å; N80-C84 WeakPolarHBondContact O-CB 3.49Å; N80-C84 PolarHBondContact O-N 2.91Å; V81-C84 WeakPolarHBondContact O-CB 3.35Å; V81-C84 PolarHBondContact O-N 3.15Å; I82-C84 VanDerWaalsContact C-N 3.29Å; I82-C84 PolarHBondContact O-N 3.3Å; C84-R87 PolarHBondContact O-N 2.93Å; C84-K88 WeakPolarHBondContact O-CB 3.25Å; C84-K88 VanDerWaalsContact O-CG 3.31Å; C84-K88 WeakPolarHBondContact O-CG 3.26Å; C84-K88 PolarHBondContact O-N 3.38Å |
| 85 | Y | 72.4 | Confident | 68.5 | Low | 10 Ų | 10 | 44.7 Ų | 44.7 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 175.1 | -179.5 | -93.7 | 0 | 0 | 0 | 112.3 | A49 L50 H53 N62 A65 V81 I82 I83 R87 K88 T89 | A49-Y85 HydrophobicContact CB-CE2 4.43Å; L50-Y85 HydrophobicContact CB-CD2 4.49Å; L50-Y85 HydrophobicContact CD1-CD2 4.29Å; H53-Y85 HydrophobicContact CB-CE2 4.04Å; N62-Y85 PolarHBondContact OD1-OH 3.41Å; A65-Y85 HydrophobicContact CB-CD1 4.04Å; A65-Y85 HydrophobicContact CB-CE1 3.41Å; A65-Y85 VanDerWaalsContact CB-CE1 3.41Å; A65-Y85 HydrophobicContact CB-CE2 4.08Å; A65-Y85 VanDerWaalsContact CB-CZ 3.44Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 3.22Å; I82-Y85 WeakPolarHBondContact O-CB 3.08Å; I82-Y85 PolarHBondContact O-N 3.23Å; I82-Y85 VanDerWaalsContact O-N 3.14Å; I83-Y85 VanDerWaalsContact C-N 3.33Å; I83-Y85 PolarHBondContact O-N 2.93Å; Y85-R87 VanDerWaalsContact C-N 3.34Å; Y85-R87 PolarHBondContact O-N 3.12Å; Y85-K88 PolarHBondContact O-N 3.2Å; Y85-T89 HydrophobicContact CD1-CG2 4.19Å; Y85-T89 HydrophobicContact CD2-CG2 4.41Å; Y85-T89 HydrophobicContact CE1-CG2 3.79Å; Y85-T89 HydrophobicContact CE2-CG2 4.04Å; Y85-T89 HydrophobicContact CG-CG2 4.48Å; Y85-T89 WeakPolarHBondContact O-CB 3.48Å; Y85-T89 VanDerWaalsContact O-CG2 3.3Å; Y85-T89 WeakPolarHBondContact O-CG2 3.28Å; Y85-T89 PolarHBondContact O-N 3.36Å; Y85-T89 PolarHBondContact O-OG1 3.05Å |
| 86 | F | 70.8 | Confident | 68.9 | Low | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 177.9 | -74.1 | -50.8 | 0 | 0 | 0 | 112.6 | I69 I82 I83 T89 G90 Q91 K94 I95 F98 | I69-F86 HydrophobicContact CD1-CE1 3.69Å; I69-F86 HydrophobicContact CD1-CE2 4.36Å; I69-F86 HydrophobicContact CD1-CZ 3.36Å; I69-F86 HydrophobicContact CG1-CE2 4.48Å; I69-F86 HydrophobicContact CG1-CZ 3.84Å; I82-F86 HydrophobicContact CG2-CD2 3.6Å; I82-F86 HydrophobicContact CG2-CE2 3.3Å; I82-F86 HydrophobicContact CG2-CZ 4.2Å; I82-F86 WeakPolarHBondContact O-CD2 3.14Å; I82-F86 PolarHBondContact O-N 2.9Å; I83-F86 PolarHBondContact O-N 2.93Å; F86-T89 WeakPolarHBondContact CA-OG1 3.48Å; F86-T89 PolarHBondContact O-N 3.16Å; F86-T89 PolarHBondContact O-OG1 3.45Å; F86-T89 VanDerWaalsContact O-OG1 3.08Å; F86-G90 PolarHBondContact O-N 3.07Å; F86-Q91 HydrophobicContact CD1-CB 4.11Å; F86-Q91 PolarHBondContact O-N 3.09Å; F86-K94 HydrophobicContact CD1-CB 4.19Å; F86-K94 HydrophobicContact CE1-CB 4.03Å; F86-K94 HydrophobicContact CE1-CD 4.24Å; F86-K94 HydrophobicContact CZ-CB 4.37Å; F86-I95 HydrophobicContact CB-CD1 3.75Å; F86-I95 HydrophobicContact CB-CG1 3.28Å; F86-I95 HydrophobicContact CD2-CG1 3.86Å; F86-I95 HydrophobicContact CG-CG1 3.91Å; F86-F98 HydrophobicContact CE2-CB 3.99Å; F86-F98 HydrophobicContact CE2-CD1 4.25Å; F86-F98 HydrophobicContact CE2-CG 4Å |
| 87 | R | 67.4 | Low | 69.6 | Low | 108 Ų | 108 | 43.5 Ų | 43.5 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -46 | 174.3 | -73.7 | -174.3 | -171.1 | 153.8 | 10.9 | 111.5 | I83 C84 Y85 T89 G90 I95 | I83-R87 HydrophobicContact CG2-CG 4.5Å; I83-R87 WeakPolarHBondContact O-CB 3.34Å; I83-R87 WeakPolarHBondContact O-CG 3.46Å; I83-R87 PolarHBondContact O-N 3.1Å; C84-R87 PolarHBondContact O-N 2.93Å; Y85-R87 VanDerWaalsContact C-N 3.34Å; Y85-R87 PolarHBondContact O-N 3.12Å; R87-T89 VanDerWaalsContact C-N 3.32Å; R87-T89 PolarHBondContact O-N 3.42Å; R87-G90 PolarHBondContact O-N 3.44Å; R87-I95 HydrophobicContact CG-CD1 3.64Å |
| 88 | K | 67 | Low | 70 | Confident | 84 Ų | 84 | 42.6 Ų | 42.6 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.4 | -23.9 | -178.6 | -65.6 | -54.2 | 179.6 | -171.5 | 0 | 113.7 | L50 C84 Y85 G90 | L50-K88 HydrophobicContact CD1-CB 4.34Å; L50-K88 HydrophobicContact CD1-CG 4.28Å; C84-K88 WeakPolarHBondContact O-CB 3.25Å; C84-K88 VanDerWaalsContact O-CG 3.31Å; C84-K88 WeakPolarHBondContact O-CG 3.26Å; C84-K88 PolarHBondContact O-N 3.38Å; Y85-K88 PolarHBondContact O-N 3.2Å; K88-G90 VanDerWaalsContact C-N 3.34Å |
| 89 | T | 67.9 | Low | 70.1 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 17% | 0.172 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.1 | 174.5 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | Y85 F86 R87 Q91 | Y85-T89 HydrophobicContact CD1-CG2 4.19Å; Y85-T89 HydrophobicContact CD2-CG2 4.41Å; Y85-T89 HydrophobicContact CE1-CG2 3.79Å; Y85-T89 HydrophobicContact CE2-CG2 4.04Å; Y85-T89 HydrophobicContact CG-CG2 4.48Å; Y85-T89 WeakPolarHBondContact O-CB 3.48Å; Y85-T89 VanDerWaalsContact O-CG2 3.3Å; Y85-T89 WeakPolarHBondContact O-CG2 3.28Å; Y85-T89 PolarHBondContact O-N 3.36Å; Y85-T89 PolarHBondContact O-OG1 3.05Å; F86-T89 WeakPolarHBondContact CA-OG1 3.48Å; F86-T89 PolarHBondContact O-N 3.16Å; F86-T89 PolarHBondContact O-OG1 3.45Å; F86-T89 VanDerWaalsContact O-OG1 3.08Å; R87-T89 VanDerWaalsContact C-N 3.32Å; R87-T89 PolarHBondContact O-N 3.42Å; T89-Q91 PolarHBondContact O-N 3.33Å |
| 90 | G | 64.7 | Low | 70.4 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 10.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | F86 R87 K88 G92 | F86-G90 PolarHBondContact O-N 3.07Å; R87-G90 PolarHBondContact O-N 3.44Å; K88-G90 VanDerWaalsContact C-N 3.34Å; G90-G92 VanDerWaalsContact C-N 3.3Å; G90-G92 PolarHBondContact O-N 3.15Å |
| 91 | Q | 69.2 | Low | 70.6 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | trans | -94.3 | 45.4 | -177.6 | -60.6 | -177.5 | 27.4 | 0 | 0 | 111.6 | F86 T89 K93 K94 | F86-Q91 HydrophobicContact CD1-CB 4.11Å; F86-Q91 PolarHBondContact O-N 3.09Å; T89-Q91 PolarHBondContact O-N 3.33Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.45Å; Q91-K94 HydrophobicContact CB-CB 4.46Å; Q91-K94 HydrophobicContact CB-CD 4.26Å; Q91-K94 HydrophobicContact CB-CG 4.36Å; Q91-K94 WeakPolarHBondContact O-CB 3.41Å; Q91-K94 PolarHBondContact O-N 2.96Å; Q91-K94 VanDerWaalsContact OE1-CD 3.26Å; Q91-K94 VanDerWaalsContact OE1-CE 3.27Å | ||
| 92 | G | 66.7 | Low | 70.6 | Confident | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.3 | -43 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G90 K94 I95 | G90-G92 VanDerWaalsContact C-N 3.3Å; G90-G92 PolarHBondContact O-N 3.15Å; G92-K94 PolarHBondContact O-N 3.47Å; G92-K94 VanDerWaalsContact O-N 3.15Å; G92-I95 WeakPolarHBondContact O-CB 3.08Å; G92-I95 WeakPolarHBondContact O-CG1 3.27Å; G92-I95 PolarHBondContact O-N 2.69Å |
| 93 | K | 70 | Confident | 70.6 | Confident | 176 Ų | 176 | 47.6 Ų | 47.6 | 77% | 0.765 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.3 | -33.3 | 178.9 | -65.6 | -175.3 | 179.1 | -178.8 | 0 | 113.6 | Q91 I95 A96 E97 | Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.45Å; K93-I95 PolarHBondContact O-N 3.21Å; K93-A96 PolarHBondContact O-N 2.64Å; K93-E97 PolarHBondContact O-N 3.27Å |
| 94 | K | 72.5 | Confident | 70.8 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.8 | -19.7 | 178.1 | -65.6 | -167.1 | -173.6 | 172.2 | 0 | 112.6 | F86 Q91 G92 F98 | F86-K94 HydrophobicContact CD1-CB 4.19Å; F86-K94 HydrophobicContact CE1-CB 4.03Å; F86-K94 HydrophobicContact CE1-CD 4.24Å; F86-K94 HydrophobicContact CZ-CB 4.37Å; Q91-K94 HydrophobicContact CB-CB 4.46Å; Q91-K94 HydrophobicContact CB-CD 4.26Å; Q91-K94 HydrophobicContact CB-CG 4.36Å; Q91-K94 WeakPolarHBondContact O-CB 3.41Å; Q91-K94 PolarHBondContact O-N 2.96Å; Q91-K94 VanDerWaalsContact OE1-CD 3.26Å; Q91-K94 VanDerWaalsContact OE1-CE 3.27Å; G92-K94 PolarHBondContact O-N 3.47Å; G92-K94 VanDerWaalsContact O-N 3.15Å; K94-F98 WeakPolarHBondContact O-CB 2.97Å; K94-F98 PolarHBondContact O-N 3.38Å |
| 95 | I | 71.7 | Confident | 70.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -50.3 | 176 | -59.8 | 169.3 | 0 | 0 | 0 | 109.5 | I83 F86 R87 G92 K93 E97 F98 L99 H119 | I83-I95 HydrophobicContact CG1-CG2 4.04Å; I83-I95 HydrophobicContact CG2-CD1 4.34Å; I83-I95 HydrophobicContact CG2-CG2 4.34Å; F86-I95 HydrophobicContact CB-CD1 3.75Å; F86-I95 HydrophobicContact CB-CG1 3.28Å; F86-I95 HydrophobicContact CD2-CG1 3.86Å; F86-I95 HydrophobicContact CG-CG1 3.91Å; R87-I95 HydrophobicContact CG-CD1 3.64Å; G92-I95 WeakPolarHBondContact O-CB 3.08Å; G92-I95 WeakPolarHBondContact O-CG1 3.27Å; G92-I95 PolarHBondContact O-N 2.69Å; K93-I95 PolarHBondContact O-N 3.21Å; I95-E97 VanDerWaalsContact C-N 3.33Å; I95-E97 PolarHBondContact O-N 3.09Å; I95-F98 PolarHBondContact O-N 3.23Å; I95-L99 HydrophobicContact CG2-CD1 3.8Å; I95-L99 HydrophobicContact CG2-CG 4.31Å; I95-L99 WeakPolarHBondContact O-CB 3.5Å; I95-L99 VanDerWaalsContact O-CG 3.27Å; I95-L99 WeakPolarHBondContact O-CG 3.32Å; I95-L99 PolarHBondContact O-N 2.66Å; I95-H119 WeakPolarHBondContact CB-NE2 3.4Å |
| 96 | A | 72.4 | Confident | 70.6 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K93 K100 | K93-A96 PolarHBondContact O-N 2.64Å; A96-K100 WeakPolarHBondContact O-CB 3.16Å; A96-K100 VanDerWaalsContact O-CG 3.23Å; A96-K100 WeakPolarHBondContact O-CG 3.36Å; A96-K100 PolarHBondContact O-N 3.11Å |
| 97 | E | 77 | Confident | 70.4 | Confident | 129 Ų | 129 | 65.7 Ų | 65.7 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.5 | -46.3 | 175.6 | -68.8 | 174.7 | 178.2 | 0 | 0 | 112 | K93 I95 L99 K100 S101 | K93-E97 PolarHBondContact O-N 3.27Å; I95-E97 VanDerWaalsContact C-N 3.33Å; I95-E97 PolarHBondContact O-N 3.09Å; E97-L99 PolarHBondContact O-N 3.15Å; E97-K100 PolarHBondContact O-N 2.92Å; E97-S101 WeakPolarHBondContact O-CB 3.39Å; E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact O-OG 3.18Å |
| 98 | F | 73.5 | Confident | 70.6 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 177.5 | 176.9 | -105.5 | 0 | 0 | 0 | 111.5 | I69 Y72 L79 I82 F86 K94 I95 S101 S102 | I69-F98 HydrophobicContact CG2-CD2 3.95Å; I69-F98 HydrophobicContact CG2-CE2 4.08Å; Y72-F98 HydrophobicContact CD1-CE2 4.46Å; L79-F98 HydrophobicContact CD1-CE1 3.92Å; I82-F98 HydrophobicContact CB-CE1 4.45Å; I82-F98 HydrophobicContact CD1-CE1 4.32Å; I82-F98 HydrophobicContact CD1-CZ 3.88Å; I82-F98 HydrophobicContact CG2-CD1 4.08Å; I82-F98 HydrophobicContact CG2-CE1 3.79Å; I82-F98 HydrophobicContact CG2-CZ 4.14Å; F86-F98 HydrophobicContact CE2-CB 3.99Å; F86-F98 HydrophobicContact CE2-CD1 4.25Å; F86-F98 HydrophobicContact CE2-CG 4Å; K94-F98 WeakPolarHBondContact O-CB 2.97Å; K94-F98 PolarHBondContact O-N 3.38Å; I95-F98 PolarHBondContact O-N 3.23Å; F98-S101 WeakPolarHBondContact CA-OG 3.38Å; F98-S101 PolarHBondContact O-N 3.34Å; F98-S101 PolarHBondContact O-OG 3.42Å; F98-S102 WeakPolarHBondContact O-CB 3.49Å; F98-S102 PolarHBondContact O-N 3.13Å; F98-S102 PolarHBondContact O-OG 2.88Å |
| 99 | L | 71.3 | Confident | 70.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.8 | -71.4 | 174 | 0 | 0 | 0 | 112 | L79 I83 I95 E97 S102 L103 L116 H119 | L79-L99 HydrophobicContact CD1-CD2 3.94Å; L79-L99 HydrophobicContact CD2-CD2 3.81Å; L79-L99 HydrophobicContact CG-CD2 4.13Å; I83-L99 HydrophobicContact CD1-CD2 4.39Å; I95-L99 HydrophobicContact CG2-CD1 3.8Å; I95-L99 HydrophobicContact CG2-CG 4.31Å; I95-L99 WeakPolarHBondContact O-CB 3.5Å; I95-L99 VanDerWaalsContact O-CG 3.27Å; I95-L99 WeakPolarHBondContact O-CG 3.32Å; I95-L99 PolarHBondContact O-N 2.66Å; E97-L99 PolarHBondContact O-N 3.15Å; L99-S102 PolarHBondContact O-N 2.95Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 WeakPolarHBondContact O-CD1 3.49Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.29Å; L99-L103 PolarHBondContact O-N 3.38Å; L99-L116 HydrophobicContact CB-CB 4.41Å; L99-L116 HydrophobicContact CB-CD1 3.89Å; L99-L116 HydrophobicContact CD1-CB 4.26Å; L99-L116 HydrophobicContact CD1-CD1 4.1Å; L99-H119 HydrophobicContact CD1-CB 4.36Å |
| 100 | K | 75 | Confident | 71.3 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 174.6 | -75.1 | 173.9 | -178.3 | -178.1 | 0 | 111.8 | A96 E97 S102 L103 E104 L116 | A96-K100 WeakPolarHBondContact O-CB 3.16Å; A96-K100 VanDerWaalsContact O-CG 3.23Å; A96-K100 WeakPolarHBondContact O-CG 3.36Å; A96-K100 PolarHBondContact O-N 3.11Å; E97-K100 PolarHBondContact O-N 2.92Å; K100-S102 VanDerWaalsContact C-N 3.32Å; K100-S102 PolarHBondContact O-N 2.92Å; K100-L103 WeakPolarHBondContact O-CB 3.42Å; K100-L103 PolarHBondContact O-N 3.19Å; K100-L103 VanDerWaalsContact O-N 3.16Å; K100-E104 PolarHBondContact O-N 3.39Å; K100-L116 HydrophobicContact CG-CD2 4.31Å |
| 101 | S | 72.8 | Confident | 71.7 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.6 | -33.4 | 178.5 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | E97 F98 | E97-S101 WeakPolarHBondContact O-CB 3.39Å; E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact O-OG 3.18Å; F98-S101 WeakPolarHBondContact CA-OG 3.38Å; F98-S101 PolarHBondContact O-N 3.34Å; F98-S101 PolarHBondContact O-OG 3.42Å |
| 102 | S | 70.5 | Confident | 72 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 173.1 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | F98 L99 K100 R105 S106 | F98-S102 WeakPolarHBondContact O-CB 3.49Å; F98-S102 PolarHBondContact O-N 3.13Å; F98-S102 PolarHBondContact O-OG 2.88Å; L99-S102 PolarHBondContact O-N 2.95Å; K100-S102 VanDerWaalsContact C-N 3.32Å; K100-S102 PolarHBondContact O-N 2.92Å; S102-R105 PolarHBondContact O-N 2.82Å; S102-S106 PolarHBondContact O-N 2.97Å; S102-S106 VanDerWaalsContact O-N 3.17Å |
| 103 | L | 72.2 | Confident | 72.6 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 175.1 | -75.3 | 163.1 | 0 | 0 | 0 | 113 | L99 K100 R105 S106 P107 L112 L113 L116 | L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 WeakPolarHBondContact O-CD1 3.49Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.29Å; L99-L103 PolarHBondContact O-N 3.38Å; K100-L103 WeakPolarHBondContact O-CB 3.42Å; K100-L103 PolarHBondContact O-N 3.19Å; K100-L103 VanDerWaalsContact O-N 3.16Å; L103-R105 PolarHBondContact O-N 2.99Å; L103-S106 CarbonylContact O-C 3.39Å; L103-S106 PolarHBondContact O-N 3.44Å; L103-P107 VanDerWaalsContact O-CA 3.31Å; L103-P107 WeakPolarHBondContact O-CA 3.39Å; L103-L112 HydrophobicContact CD2-CB 3.52Å; L103-L112 HydrophobicContact CD2-CD1 4.32Å; L103-L112 HydrophobicContact CG-CB 4.07Å; L103-L113 HydrophobicContact CD1-CD2 3.61Å; L103-L113 HydrophobicContact CD1-CG 4.49Å; L103-L113 HydrophobicContact CD2-CD2 3.59Å; L103-L113 HydrophobicContact CD2-CG 3.66Å; L103-L113 HydrophobicContact CG-CD2 4.23Å; L103-L116 HydrophobicContact CD1-CB 4.39Å; L103-L116 HydrophobicContact CD1-CD2 3.6Å |
| 104 | E | 73 | Confident | 73.2 | Confident | 162 Ų | 162 | 57.8 Ų | 57.8 | 76% | 0.757 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.9 | -30.4 | 175 | -74.6 | 174.3 | -178.3 | 0 | 0 | 112.5 | K100 | K100-E104 PolarHBondContact O-N 3.39Å |
| 105 | R | 69.2 | Low | 73.5 | Confident | 152 Ų | 152 | 54.1 Ų | 54.1 | 57% | 0.574 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -85.5 | -26.5 | 176 | -67.4 | -176.2 | -179.9 | -168.1 | 2.5 | 113.7 | Y72 S102 L103 | Y72-R105 VanDerWaalsContact CD2-NH2 3.34Å; Y72-R105 VanDerWaalsContact CE2-CZ 3.47Å; S102-R105 PolarHBondContact O-N 2.82Å; L103-R105 PolarHBondContact O-N 2.99Å |
| 106 | S | 67.5 | Low | 74 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | trans | -140.8 | 73.5 | -176.1 | -64 | 0 | 0 | 0 | 0 | 109.8 | S102 L103 D108 | S102-S106 PolarHBondContact O-N 2.97Å; S102-S106 VanDerWaalsContact O-N 3.17Å; L103-S106 CarbonylContact O-C 3.39Å; L103-S106 PolarHBondContact O-N 3.44Å; S106-D108 PolarHBondContact O-N 3.5Å | ||
| 107 | P | 67.4 | Low | 74.6 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -22.1 | -176.1 | 25.8 | -34.4 | 0 | 0 | 0 | 113.2 | L103 R109 | L103-P107 VanDerWaalsContact O-CA 3.31Å; L103-P107 WeakPolarHBondContact O-CA 3.39Å; P107-R109 PolarHBondContact O-N 2.98Å |
| 108 | D | 70.2 | Confident | 75 | Confident | 138 Ų | 138 | 48.1 Ų | 48.1 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 12.6 | -174.6 | -60 | -20.2 | 0 | 0 | 0 | 114 | S106 | S106-D108 PolarHBondContact O-N 3.5Š|
| 109 | R | 71.7 | Confident | 75.4 | Confident | 83 Ų | 83 | 48.1 Ų | 48.1 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | trans | -102.8 | 103.1 | -174.5 | -75.7 | -69.9 | -68.2 | -95.3 | -3.9 | 112.1 | T74 P107 D111 L112 L113 | T74-R109 PolarHBondContact O-NH1 3.08Å; T74-R109 PolarHBondContact O-NH2 3.17Å; P107-R109 PolarHBondContact O-N 2.98Å; R109-D111 VanDerWaalsContact C-N 3.35Å; R109-D111 WeakPolarHBondContact CB-OD1 3.47Å; R109-D111 IonicContact CZ-OD1 3.6Å; R109-D111 IonicContact CZ-OD2 2.89Å; R109-D111 IonicContact NE-OD1 3.26Å; R109-D111 PolarHBondContact NE-OD1 3.18Å; R109-D111 IonicContact NE-OD2 3.14Å; R109-D111 PolarHBondContact NE-OD2 3.44Å; R109-D111 IonicContact NH2-OD1 2.95Å; R109-D111 IonicContact NH2-OD2 3.09Å; R109-D111 PolarHBondContact NH2-OD2 2.77Å; R109-D111 PolarHBondContact O-N 3.17Å; R109-L112 HydrophobicContact CB-CB 4.23Å; R109-L112 HydrophobicContact CB-CD1 3.88Å; R109-L112 HydrophobicContact CB-CG 3.96Å; R109-L112 HydrophobicContact CG-CD1 4.39Å; R109-L112 PolarHBondContact O-N 3.22Å; R109-L113 PolarHBondContact O-N 3.42Å | ||
| 110 | E | 77.8 | Confident | 76 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 40% | 0.397 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 177.1 | -173.1 | -174 | 155.1 | 0 | 0 | 112.5 | L112 L113 V114 L136 F140 F145 | E110-L112 PolarHBondContact O-N 3.17Å; E110-L113 PolarHBondContact O-N 3.47Å; E110-L113 VanDerWaalsContact O-N 3.15Å; E110-V114 HydrophobicContact CG-CG2 4.36Å; E110-V114 WeakPolarHBondContact O-CG2 3.13Å; E110-V114 PolarHBondContact O-N 3.15Å; E110-L136 HydrophobicContact CG-CD1 4.16Å; E110-F140 HydrophobicContact CB-CD1 4.3Å; E110-F140 HydrophobicContact CB-CD2 3.92Å; E110-F140 HydrophobicContact CB-CE1 4.12Å; E110-F140 HydrophobicContact CB-CE2 3.73Å; E110-F140 HydrophobicContact CB-CG 4.21Å; E110-F140 HydrophobicContact CB-CZ 3.84Å; E110-F140 HydrophobicContact CG-CD1 4.47Å; E110-F140 HydrophobicContact CG-CD2 3.94Å; E110-F140 HydrophobicContact CG-CE2 4.27Å; E110-F140 HydrophobicContact CG-CG 4.05Å; E110-F145 HydrophobicContact CG-CZ 4.37Å; E110-F145 VanDerWaalsContact OE1-CZ 3.29Å; E110-F145 WeakPolarHBondContact OE1-CZ 3.39Å |
| 111 | D | 73.9 | Confident | 76.4 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | -178 | 61.9 | -41.2 | 0 | 0 | 0 | 113 | R109 V114 C115 | R109-D111 VanDerWaalsContact C-N 3.35Å; R109-D111 WeakPolarHBondContact CB-OD1 3.47Å; R109-D111 IonicContact CZ-OD1 3.6Å; R109-D111 IonicContact CZ-OD2 2.89Å; R109-D111 IonicContact NE-OD1 3.26Å; R109-D111 PolarHBondContact NE-OD1 3.18Å; R109-D111 IonicContact NE-OD2 3.14Å; R109-D111 PolarHBondContact NE-OD2 3.44Å; R109-D111 IonicContact NH2-OD1 2.95Å; R109-D111 IonicContact NH2-OD2 3.09Å; R109-D111 PolarHBondContact NH2-OD2 2.77Å; R109-D111 PolarHBondContact O-N 3.17Å; D111-V114 PolarHBondContact O-N 3.21Å; D111-C115 WeakPolarHBondContact O-CB 3.35Å; D111-C115 PolarHBondContact O-N 3.14Å; D111-C115 PolarHBondContact O-SG 3.11Å |
| 112 | L | 75 | Confident | 76.8 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 176 | -67 | -176.9 | 0 | 0 | 0 | 111.7 | L79 L103 R109 E110 C115 L116 | L79-L112 HydrophobicContact CD1-CD2 3.49Å; L79-L112 VanDerWaalsContact CD1-CD2 3.49Å; L79-L112 HydrophobicContact CD2-CD2 3.81Å; L79-L112 HydrophobicContact CG-CD2 4.26Å; L103-L112 HydrophobicContact CD2-CB 3.52Å; L103-L112 HydrophobicContact CD2-CD1 4.32Å; L103-L112 HydrophobicContact CG-CB 4.07Å; R109-L112 HydrophobicContact CB-CB 4.23Å; R109-L112 HydrophobicContact CB-CD1 3.88Å; R109-L112 HydrophobicContact CB-CG 3.96Å; R109-L112 HydrophobicContact CG-CD1 4.39Å; R109-L112 PolarHBondContact O-N 3.22Å; E110-L112 PolarHBondContact O-N 3.17Å; L112-C115 PolarHBondContact O-N 3.46Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 PolarHBondContact O-N 2.8Å |
| 113 | L | 79.6 | Confident | 77.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 176.3 | -72 | 176.4 | 0 | 0 | 0 | 111.9 | L103 R109 E110 L116 F117 T132 L135 L136 F140 | L103-L113 HydrophobicContact CD1-CD2 3.61Å; L103-L113 HydrophobicContact CD1-CG 4.49Å; L103-L113 HydrophobicContact CD2-CD2 3.59Å; L103-L113 HydrophobicContact CD2-CG 3.66Å; L103-L113 HydrophobicContact CG-CD2 4.23Å; R109-L113 PolarHBondContact O-N 3.42Å; E110-L113 PolarHBondContact O-N 3.47Å; E110-L113 VanDerWaalsContact O-N 3.15Å; L113-L116 PolarHBondContact O-N 3.03Å; L113-F117 WeakPolarHBondContact O-CB 3.5Å; L113-F117 PolarHBondContact O-N 3.01Å; L113-T132 HydrophobicContact CD2-CG2 4.41Å; L113-L135 HydrophobicContact CD1-CD2 3.98Å; L113-L135 HydrophobicContact CD2-CD2 3.48Å; L113-L135 VanDerWaalsContact CD2-CD2 3.48Å; L113-L135 HydrophobicContact CG-CD2 4.39Å; L113-L136 HydrophobicContact CB-CD1 3.46Å; L113-L136 VanDerWaalsContact CB-CD1 3.46Å; L113-L136 HydrophobicContact CD1-CD1 4.08Å; L113-L136 HydrophobicContact CG-CD1 4.43Å; L113-F140 HydrophobicContact CD1-CE2 4.28Å |
| 114 | V | 82.3 | Confident | 77.8 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 16% | 0.158 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 172.8 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | E110 D111 L116 F117 L118 L136 F145 W148 | E110-V114 HydrophobicContact CG-CG2 4.36Å; E110-V114 WeakPolarHBondContact O-CG2 3.13Å; E110-V114 PolarHBondContact O-N 3.15Å; D111-V114 PolarHBondContact O-N 3.21Å; V114-L116 PolarHBondContact O-N 3.31Å; V114-F117 PolarHBondContact O-N 2.88Å; V114-L118 HydrophobicContact CG1-CD1 3.93Å; V114-L118 HydrophobicContact CG1-CG 4.33Å; V114-L118 WeakPolarHBondContact O-CB 3.46Å; V114-L118 VanDerWaalsContact O-CG 3.27Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.26Å; V114-L136 HydrophobicContact CG2-CD1 4.06Å; V114-L136 HydrophobicContact CG2-CD2 4.2Å; V114-F145 HydrophobicContact CG2-CE1 4.28Å; V114-F145 HydrophobicContact CG2-CZ 4.36Å; V114-W148 HydrophobicContact CG1-CH2 3.9Å; V114-W148 HydrophobicContact CG1-CZ3 4.32Å; V114-W148 HydrophobicContact CG2-CH2 4.13Å; V114-W148 HydrophobicContact CG2-CZ3 4.09Å |
| 115 | C | 79.5 | Confident | 78.4 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.4 | -71 | 0 | 0 | 0 | 0 | 112.2 | L79 D111 L112 L118 H119 | L79-C115 HydrophobicContact CD2-CB 4.07Å; D111-C115 WeakPolarHBondContact O-CB 3.35Å; D111-C115 PolarHBondContact O-N 3.14Å; D111-C115 PolarHBondContact O-SG 3.11Å; L112-C115 PolarHBondContact O-N 3.46Å; C115-L118 PolarHBondContact O-N 3.23Å; C115-H119 WeakPolarHBondContact O-CB 3.09Å; C115-H119 PolarHBondContact O-N 3.01Å |
| 116 | L | 81.9 | Confident | 79.4 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 176 | -179.7 | 64.5 | 0 | 0 | 0 | 111.8 | L99 K100 L103 L112 L113 V114 H119 H120 T132 | L99-L116 HydrophobicContact CB-CB 4.41Å; L99-L116 HydrophobicContact CB-CD1 3.89Å; L99-L116 HydrophobicContact CD1-CB 4.26Å; L99-L116 HydrophobicContact CD1-CD1 4.1Å; K100-L116 HydrophobicContact CG-CD2 4.31Å; L103-L116 HydrophobicContact CD1-CB 4.39Å; L103-L116 HydrophobicContact CD1-CD2 3.6Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 PolarHBondContact O-N 2.8Å; L113-L116 PolarHBondContact O-N 3.03Å; V114-L116 PolarHBondContact O-N 3.31Å; L116-H119 PolarHBondContact O-N 3.22Å; L116-H120 WeakPolarHBondContact CD1-NE2 3.28Å; L116-H120 PolarHBondContact O-CD2 3.45Å; L116-H120 PolarHBondContact O-N 3.43Å; L116-T132 HydrophobicContact CB-CG2 4.22Å; L116-T132 HydrophobicContact CD2-CG2 3.93Å; L116-T132 HydrophobicContact CG-CG2 4.04Å |
| 117 | F | 85.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 175.5 | 172.5 | -91.7 | 0 | 0 | 0 | 111.1 | L113 V114 H119 H120 V121 Q129 T132 A133 W148 Y581 | L113-F117 WeakPolarHBondContact O-CB 3.5Å; L113-F117 PolarHBondContact O-N 3.01Å; V114-F117 PolarHBondContact O-N 2.88Å; F117-H119 VanDerWaalsContact C-N 3.29Å; F117-H119 PolarHBondContact O-N 3.25Å; F117-H120 PolarHBondContact O-N 3.45Å; F117-H120 VanDerWaalsContact O-N 3.11Å; F117-V121 HydrophobicContact CD1-CG2 4.04Å; F117-V121 HydrophobicContact CE1-CG2 3.63Å; F117-V121 HydrophobicContact CZ-CG2 3.96Å; F117-V121 WeakPolarHBondContact O-CG2 3.3Å; F117-V121 PolarHBondContact O-N 2.86Å; F117-Q129 HydrophobicContact CD2-CG 3.69Å; F117-Q129 WeakPolarHBondContact CD2-O 3.38Å; F117-Q129 HydrophobicContact CE2-CG 3.25Å; F117-Q129 HydrophobicContact CZ-CG 3.84Å; F117-T132 HydrophobicContact CB-CG2 4.04Å; F117-A133 HydrophobicContact CD2-CB 3.85Å; F117-A133 HydrophobicContact CE2-CB 3.71Å; F117-W148 HydrophobicContact CB-CZ3 4.38Å; F117-W148 AromaticContact CD1-CD2 3.96Å; F117-W148 HydrophobicContact CD1-CD2 3.96Å; F117-W148 AromaticContact CD1-CE3 3.34Å; F117-W148 HydrophobicContact CD1-CE3 3.34Å; F117-W148 HydrophobicContact CD1-CH2 4.21Å; F117-W148 AromaticContact CD1-CZ3 3.48Å; F117-W148 HydrophobicContact CD1-CZ3 3.48Å; F117-W148 VanDerWaalsContact CD1-CZ3 3.48Å; F117-W148 HydrophobicContact CD2-CE3 4.06Å; F117-W148 HydrophobicContact CE1-CB 4.29Å; F117-W148 AromaticContact CE1-CD2 3.46Å; F117-W148 HydrophobicContact CE1-CD2 3.46Å; F117-W148 VanDerWaalsContact CE1-CD2 3.46Å; F117-W148 AromaticContact CE1-CE3 3.36Å; F117-W148 HydrophobicContact CE1-CE3 3.36Å; F117-W148 AromaticContact CE1-CG 3.9Å; F117-W148 HydrophobicContact CE1-CG 3.9Å; F117-W148 HydrophobicContact CE1-CH2 4.45Å; F117-W148 AromaticContact CE1-CZ3 3.89Å; F117-W148 HydrophobicContact CE1-CZ3 3.89Å; F117-W148 HydrophobicContact CE2-CB 3.83Å; F117-W148 HydrophobicContact CE2-CD2 4.34Å; F117-W148 HydrophobicContact CE2-CE3 4.04Å; F117-W148 HydrophobicContact CE2-CG 4.31Å; F117-W148 AromaticContact CG-CE3 3.72Å; F117-W148 HydrophobicContact CG-CE3 3.72Å; F117-W148 AromaticContact CG-CZ3 3.96Å; F117-W148 HydrophobicContact CG-CZ3 3.96Å; F117-W148 HydrophobicContact CZ-CB 3.55Å; F117-W148 AromaticContact CZ-CD2 3.68Å; F117-W148 HydrophobicContact CZ-CD2 3.68Å; F117-W148 AromaticContact CZ-CE3 3.71Å; F117-W148 HydrophobicContact CZ-CE3 3.71Å; F117-W148 AromaticContact CZ-CG 3.64Å; F117-W148 HydrophobicContact CZ-CG 3.64Å; F117-Y581 AromaticContact CE1-CD1 3.84Å; F117-Y581 HydrophobicContact CE1-CD1 3.84Å; F117-Y581 HydrophobicContact CE1-CE1 4.27Å; F117-Y581 HydrophobicContact CE1-CG 4.23Å; F117-Y581 AromaticContact CZ-CD1 3.82Å; F117-Y581 HydrophobicContact CZ-CD1 3.82Å; F117-Y581 AromaticContact CZ-CE1 3.83Å; F117-Y581 HydrophobicContact CZ-CE1 3.83Å |
| 118 | L | 84.5 | Confident | 81.1 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -32.1 | -179.5 | -66.9 | 177.3 | 0 | 0 | 0 | 112.5 | V114 C115 V121 Q122 V578 R582 | V114-L118 HydrophobicContact CG1-CD1 3.93Å; V114-L118 HydrophobicContact CG1-CG 4.33Å; V114-L118 WeakPolarHBondContact O-CB 3.46Å; V114-L118 VanDerWaalsContact O-CG 3.27Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.26Å; C115-L118 PolarHBondContact O-N 3.23Å; L118-V121 WeakPolarHBondContact O-CB 3.36Å; L118-V121 PolarHBondContact O-N 3.14Å; L118-Q122 WeakPolarHBondContact O-CG 3.33Å; L118-Q122 PolarHBondContact O-N 3.49Å; L118-Q122 VanDerWaalsContact O-N 3.11Å; L118-V578 HydrophobicContact CB-CG1 4.48Å; L118-V578 HydrophobicContact CB-CG2 4.48Å; L118-V578 HydrophobicContact CD1-CG1 4.08Å; L118-V578 HydrophobicContact CD2-CG1 3.96Å; L118-V578 HydrophobicContact CG-CG1 4.39Å; L118-R582 HydrophobicContact CD1-CG 4.45Å; L118-R582 VanDerWaalsContact CD1-NE 3.32Å |
| 119 | H | 81.3 | Confident | 82 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 171.6 | -179.4 | 47.2 | 0 | 0 | 0 | 111.6 | I95 L99 C115 L116 F117 V121 Q122 E123 | I95-H119 WeakPolarHBondContact CB-NE2 3.4Å; L99-H119 HydrophobicContact CD1-CB 4.36Å; C115-H119 WeakPolarHBondContact O-CB 3.09Å; C115-H119 PolarHBondContact O-N 3.01Å; L116-H119 PolarHBondContact O-N 3.22Å; F117-H119 VanDerWaalsContact C-N 3.29Å; F117-H119 PolarHBondContact O-N 3.25Å; H119-V121 VanDerWaalsContact C-N 3.29Å; H119-V121 PolarHBondContact O-N 3.05Å; H119-Q122 PolarHBondContact O-N 2.81Å; H119-Q122 VanDerWaalsContact O-N 3.17Å; H119-E123 IonicContact CE1-OE1 2.79Å; H119-E123 PolarHBondContact CE1-OE1 2.74Å; H119-E123 IonicContact NE2-OE1 3.83Å; H119-E123 PolarHBondContact NE2-OE1 3.2Å; H119-E123 IonicContact NE2-OE2 3.07Å; H119-E123 PolarHBondContact O-N 3.44Å |
| 120 | H | 84.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -31.5 | 173.6 | -69.9 | -34.4 | 0 | 0 | 0 | 113.4 | L116 F117 E123 R124 N125 Q129 | L116-H120 WeakPolarHBondContact CD1-NE2 3.28Å; L116-H120 PolarHBondContact O-CD2 3.45Å; L116-H120 PolarHBondContact O-N 3.43Å; F117-H120 PolarHBondContact O-N 3.45Å; F117-H120 VanDerWaalsContact O-N 3.11Å; H120-E123 IonicContact ND1-OE2 3.38Å; H120-R124 PolarHBondContact O-N 3.03Å; H120-R124 VanDerWaalsContact O-N 3.13Å; H120-N125 PolarHBondContact O-N 2.96Å; H120-Q129 HydrophobicContact CB-CB 4.16Å |
| 121 | V | 83.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 170.3 | 172 | 0 | 0 | 0 | 0 | 110.5 | F117 L118 H119 R124 Q129 L577 V578 Y581 | F117-V121 HydrophobicContact CD1-CG2 4.04Å; F117-V121 HydrophobicContact CE1-CG2 3.63Å; F117-V121 HydrophobicContact CZ-CG2 3.96Å; F117-V121 WeakPolarHBondContact O-CG2 3.3Å; F117-V121 PolarHBondContact O-N 2.86Å; L118-V121 WeakPolarHBondContact O-CB 3.36Å; L118-V121 PolarHBondContact O-N 3.14Å; H119-V121 VanDerWaalsContact C-N 3.29Å; H119-V121 PolarHBondContact O-N 3.05Å; V121-R124 PolarHBondContact O-N 3.41Å; V121-R124 VanDerWaalsContact O-N 3.08Å; V121-Q129 HydrophobicContact CG2-CG 4.09Å; V121-Q129 VanDerWaalsContact CG2-NE2 3.33Å; V121-L577 HydrophobicContact CG1-CD2 3.69Å; V121-L577 HydrophobicContact CG1-CG 3.68Å; V121-V578 HydrophobicContact CG1-CG2 4.38Å; V121-Y581 HydrophobicContact CB-CE2 4.49Å; V121-Y581 HydrophobicContact CG1-CD2 3.75Å; V121-Y581 HydrophobicContact CG1-CE2 3.62Å; V121-Y581 HydrophobicContact CG2-CD2 4.07Å; V121-Y581 HydrophobicContact CG2-CE2 3.94Å; V121-Y581 HydrophobicContact CG2-CG 4.49Å |
| 122 | Q | 81.1 | Confident | 83.9 | Confident | 18 Ų | 18 | 24.5 Ų | 24.5 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 179.7 | -68.5 | 176.6 | -32.4 | 0 | 0 | 112.4 | L118 H119 R124 E574 V578 | L118-Q122 WeakPolarHBondContact O-CG 3.33Å; L118-Q122 PolarHBondContact O-N 3.49Å; L118-Q122 VanDerWaalsContact O-N 3.11Å; H119-Q122 PolarHBondContact O-N 2.81Å; H119-Q122 VanDerWaalsContact O-N 3.17Å; Q122-R124 PolarHBondContact O-N 2.91Å; Q122-E574 HydrophobicContact CG-CB 4.46Å; Q122-V578 HydrophobicContact CG-CG2 3.52Å |
| 123 | E | 79.2 | Confident | 84.5 | Confident | 78 Ų | 78 | 24.3 Ų | 24.3 | 36% | 0.364 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -4.4 | 175.3 | -67 | -170.2 | 145.4 | 0 | 0 | 113.5 | H119 H120 N125 | H119-E123 IonicContact CE1-OE1 2.79Å; H119-E123 PolarHBondContact CE1-OE1 2.74Å; H119-E123 IonicContact NE2-OE1 3.83Å; H119-E123 PolarHBondContact NE2-OE1 3.2Å; H119-E123 IonicContact NE2-OE2 3.07Å; H119-E123 PolarHBondContact O-N 3.44Å; H120-E123 IonicContact ND1-OE2 3.38Å; E123-N125 HydrophobicContact CB-CB 4.47Å; E123-N125 PolarHBondContact O-N 3.3Å; E123-N125 VanDerWaalsContact O-N 3.17Å |
| 124 | R | 84.9 | Confident | 84.9 | Confident | 67 Ų | 67 | 29.7 Ų | 29.7 | 25% | 0.253 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30.1 | -174.8 | -61.2 | 178.4 | -73.4 | -83 | 6.4 | 112.9 | H120 V121 Q122 F126 E574 | H120-R124 PolarHBondContact O-N 3.03Å; H120-R124 VanDerWaalsContact O-N 3.13Å; V121-R124 PolarHBondContact O-N 3.41Å; V121-R124 VanDerWaalsContact O-N 3.08Å; Q122-R124 PolarHBondContact O-N 2.91Å; R124-F126 HydrophobicContact CB-CE1 4.17Å; R124-F126 HydrophobicContact CB-CZ 3.91Å; R124-F126 HydrophobicContact CG-CZ 4.43Å; R124-F126 PolarHBondContact O-N 3.46Å; R124-E574 IonicContact NH1-OE1 2.71Å; R124-E574 PolarHBondContact NH1-OE1 3.33Å; R124-E574 VanDerWaalsContact NH1-OE1 3.08Å |
| 125 | N | 85.8 | Confident | 85.1 | Confident | 63 Ų | 63 | 32.1 Ų | 32.1 | 34% | 0.337 | 17% | 0.171 | S | C | . | . | trans | -89.3 | 79.2 | 177.4 | -170.2 | -15.6 | 0 | 0 | 0 | 110.2 | H120 E123 S127 A128 Q129 | H120-N125 PolarHBondContact O-N 2.96Å; E123-N125 HydrophobicContact CB-CB 4.47Å; E123-N125 PolarHBondContact O-N 3.3Å; E123-N125 VanDerWaalsContact O-N 3.17Å; N125-S127 VanDerWaalsContact C-N 3.26Å; N125-S127 PolarHBondContact O-N 2.93Å; N125-S127 PolarHBondContact OD1-OG 3.41Å; N125-A128 HydrophobicContact CB-CB 4.25Å; N125-A128 PolarHBondContact O-N 3.46Å; N125-A128 PolarHBondContact OD1-N 3.49Å; N125-Q129 VanDerWaalsContact O-CB 3.29Å; N125-Q129 WeakPolarHBondContact O-CB 3.24Å; N125-Q129 PolarHBondContact O-N 3.06Å | ||
| 126 | F | 89 | Confident | 85.4 | Confident | 24 Ų | 24 | 31.2 Ų | 31.2 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.6 | -24.9 | -171 | -48.8 | -55.3 | 0 | 0 | 0 | 114.2 | R124 Q130 M155 Q156 T593 | R124-F126 HydrophobicContact CB-CE1 4.17Å; R124-F126 HydrophobicContact CB-CZ 3.91Å; R124-F126 HydrophobicContact CG-CZ 4.43Å; R124-F126 PolarHBondContact O-N 3.46Å; F126-Q130 PolarHBondContact O-N 3.12Å; F126-Q130 VanDerWaalsContact O-N 3.1Å; F126-M155 HydrophobicContact CB-CB 4.34Å; F126-M155 HydrophobicContact CD1-CB 3.44Å; F126-M155 VanDerWaalsContact CD1-CB 3.44Å; F126-M155 HydrophobicContact CD1-CG 4.32Å; F126-M155 HydrophobicContact CD2-CB 4.26Å; F126-M155 WeakPolarHBondContact CD2-O 3.34Å; F126-M155 HydrophobicContact CE1-CB 3.69Å; F126-M155 HydrophobicContact CE1-CE 4.02Å; F126-M155 HydrophobicContact CE1-CG 4.26Å; F126-M155 HydrophobicContact CE2-CB 4.47Å; F126-M155 HydrophobicContact CG-CB 3.76Å; F126-M155 HydrophobicContact CZ-CB 4.21Å; F126-M155 HydrophobicContact CZ-CE 3.95Å; F126-Q156 HydrophobicContact CB-CB 4.39Å; F126-Q156 HydrophobicContact CB-CG 3.48Å; F126-Q156 VanDerWaalsContact CB-CG 3.48Å; F126-Q156 PolarHBondContact O-NE2 3.42Å; F126-T593 HydrophobicContact CE1-CG2 4.47Å; F126-T593 HydrophobicContact CZ-CG2 3.94Å |
| 127 | S | 86.2 | Confident | 85.6 | Confident | 75 Ų | 75 | 33.2 Ų | 33.2 | 52% | 0.524 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -73 | -48.3 | 176.2 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | N125 Q129 Q130 A131 | N125-S127 VanDerWaalsContact C-N 3.26Å; N125-S127 PolarHBondContact O-N 2.93Å; N125-S127 PolarHBondContact OD1-OG 3.41Å; S127-Q129 VanDerWaalsContact C-N 3.29Å; S127-Q129 PolarHBondContact O-N 3.39Å; S127-Q130 PolarHBondContact O-N 3.43Å; S127-A131 PolarHBondContact O-N 3.21Å; S127-A131 VanDerWaalsContact O-N 3.11Å |
| 128 | A | 86 | Confident | 85.6 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 16% | 0.157 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N125 Q130 A131 T132 | N125-A128 HydrophobicContact CB-CB 4.25Å; N125-A128 PolarHBondContact O-N 3.46Å; N125-A128 PolarHBondContact OD1-N 3.49Å; A128-Q130 PolarHBondContact O-N 2.95Å; A128-A131 PolarHBondContact O-N 3.3Å; A128-T132 PolarHBondContact O-N 3.07Å; A128-T132 PolarHBondContact O-OG1 3.47Å; A128-T132 VanDerWaalsContact O-OG1 3.1Å |
| 129 | Q | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.9 | -49 | 175.3 | -170.6 | -165.4 | -3.1 | 0 | 0 | 112 | F117 H120 V121 N125 S127 T132 A133 S152 Y581 | F117-Q129 HydrophobicContact CD2-CG 3.69Å; F117-Q129 WeakPolarHBondContact CD2-O 3.38Å; F117-Q129 HydrophobicContact CE2-CG 3.25Å; F117-Q129 HydrophobicContact CZ-CG 3.84Å; H120-Q129 HydrophobicContact CB-CB 4.16Å; V121-Q129 HydrophobicContact CG2-CG 4.09Å; V121-Q129 VanDerWaalsContact CG2-NE2 3.33Å; N125-Q129 VanDerWaalsContact O-CB 3.29Å; N125-Q129 WeakPolarHBondContact O-CB 3.24Å; N125-Q129 PolarHBondContact O-N 3.06Å; S127-Q129 VanDerWaalsContact C-N 3.29Å; S127-Q129 PolarHBondContact O-N 3.39Å; Q129-T132 PolarHBondContact O-N 2.98Å; Q129-A133 VanDerWaalsContact O-CB 3.3Å; Q129-A133 WeakPolarHBondContact O-CB 3.25Å; Q129-A133 PolarHBondContact O-N 2.89Å; Q129-S152 WeakPolarHBondContact CG-OG 3.41Å; Q129-S152 PolarHBondContact NE2-OG 2.85Å; Q129-Y581 PolarHBondContact NE2-OH 2.84Å |
| 130 | Q | 89.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 178.7 | -169.8 | -166.5 | 34.5 | 0 | 0 | 112 | F126 S127 A128 A133 R134 V149 T153 | F126-Q130 PolarHBondContact O-N 3.12Å; F126-Q130 VanDerWaalsContact O-N 3.1Å; S127-Q130 PolarHBondContact O-N 3.43Å; A128-Q130 PolarHBondContact O-N 2.95Å; Q130-A133 PolarHBondContact O-N 3.41Å; Q130-R134 WeakPolarHBondContact O-CG 3.17Å; Q130-R134 PolarHBondContact O-N 3.01Å; Q130-V149 HydrophobicContact CG-CG1 4.18Å; Q130-T153 PolarHBondContact NE2-OG1 2.93Å |
| 131 | A | 88.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 51 Ų | 51 | 50% | 0.496 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S127 A128 R134 L135 | S127-A131 PolarHBondContact O-N 3.21Å; S127-A131 VanDerWaalsContact O-N 3.11Å; A128-A131 PolarHBondContact O-N 3.3Å; A131-R134 PolarHBondContact O-N 3.41Å; A131-L135 PolarHBondContact O-N 3.49Å; A131-L135 VanDerWaalsContact O-N 3.11Å |
| 132 | T | 85.2 | Confident | 85.5 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | L113 L116 F117 A128 Q129 R134 L135 L136 | L113-T132 HydrophobicContact CD2-CG2 4.41Å; L116-T132 HydrophobicContact CB-CG2 4.22Å; L116-T132 HydrophobicContact CD2-CG2 3.93Å; L116-T132 HydrophobicContact CG-CG2 4.04Å; F117-T132 HydrophobicContact CB-CG2 4.04Å; A128-T132 PolarHBondContact O-N 3.07Å; A128-T132 PolarHBondContact O-OG1 3.47Å; A128-T132 VanDerWaalsContact O-OG1 3.1Å; Q129-T132 PolarHBondContact O-N 2.98Å; T132-R134 VanDerWaalsContact C-N 3.33Å; T132-R134 PolarHBondContact O-N 3.11Å; T132-L135 PolarHBondContact O-N 2.88Å; T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 PolarHBondContact O-N 2.88Å |
| 133 | A | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | F117 Q129 Q130 L136 L137 W148 V149 | F117-A133 HydrophobicContact CD2-CB 3.85Å; F117-A133 HydrophobicContact CE2-CB 3.71Å; Q129-A133 VanDerWaalsContact O-CB 3.3Å; Q129-A133 WeakPolarHBondContact O-CB 3.25Å; Q129-A133 PolarHBondContact O-N 2.89Å; Q130-A133 PolarHBondContact O-N 3.41Å; A133-L136 PolarHBondContact O-N 3.46Å; A133-L137 WeakPolarHBondContact O-CB 3.44Å; A133-L137 PolarHBondContact O-N 2.89Å; A133-W148 HydrophobicContact CB-CB 4.25Å; A133-V149 HydrophobicContact CB-CB 4.42Å; A133-V149 HydrophobicContact CB-CG2 3.55Å |
| 134 | R | 88.3 | Confident | 85.7 | Confident | 115 Ų | 115 | 52.8 Ų | 52.8 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 174.7 | -76 | 177.5 | -176.4 | -177.5 | 4.1 | 111.8 | Q130 A131 T132 L136 L137 Q138 V149 | Q130-R134 WeakPolarHBondContact O-CG 3.17Å; Q130-R134 PolarHBondContact O-N 3.01Å; A131-R134 PolarHBondContact O-N 3.41Å; T132-R134 VanDerWaalsContact C-N 3.33Å; T132-R134 PolarHBondContact O-N 3.11Å; R134-L136 VanDerWaalsContact C-N 3.3Å; R134-L137 PolarHBondContact O-N 3.25Å; R134-Q138 WeakPolarHBondContact O-CG 3.49Å; R134-Q138 PolarHBondContact O-N 3.44Å; R134-V149 HydrophobicContact CG-CG1 4.02Å; R134-V149 HydrophobicContact CG-CG2 4.06Å |
| 135 | L | 86 | Confident | 85.7 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.3 | -166.2 | 91.8 | 0 | 0 | 0 | 110.7 | L113 A131 T132 L137 Q138 N139 | L113-L135 HydrophobicContact CD1-CD2 3.98Å; L113-L135 HydrophobicContact CD2-CD2 3.48Å; L113-L135 VanDerWaalsContact CD2-CD2 3.48Å; L113-L135 HydrophobicContact CG-CD2 4.39Å; A131-L135 PolarHBondContact O-N 3.49Å; A131-L135 VanDerWaalsContact O-N 3.11Å; T132-L135 PolarHBondContact O-N 2.88Å; L135-L137 PolarHBondContact O-N 3.46Å; L135-Q138 PolarHBondContact O-N 3.32Å; L135-N139 PolarHBondContact O-N 3.47Å |
| 136 | L | 85.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.1 | -169.1 | 76.7 | 0 | 0 | 0 | 111.4 | E110 L113 V114 T132 A133 R134 Q138 N139 F140 F145 W148 | E110-L136 HydrophobicContact CG-CD1 4.16Å; L113-L136 HydrophobicContact CB-CD1 3.46Å; L113-L136 VanDerWaalsContact CB-CD1 3.46Å; L113-L136 HydrophobicContact CD1-CD1 4.08Å; L113-L136 HydrophobicContact CG-CD1 4.43Å; V114-L136 HydrophobicContact CG2-CD1 4.06Å; V114-L136 HydrophobicContact CG2-CD2 4.2Å; T132-L136 WeakPolarHBondContact O-CB 3.4Å; T132-L136 PolarHBondContact O-N 2.88Å; A133-L136 PolarHBondContact O-N 3.46Å; R134-L136 VanDerWaalsContact C-N 3.3Å; L136-Q138 PolarHBondContact O-N 2.91Å; L136-N139 PolarHBondContact O-N 2.94Å; L136-F140 HydrophobicContact CD1-CD2 4.31Å; L136-F140 CarbonylContact O-C 3.37Å; L136-F140 WeakPolarHBondContact O-CA 3.22Å; L136-F140 WeakPolarHBondContact O-CB 3.32Å; L136-F140 PolarHBondContact O-N 3.25Å; L136-F140 VanDerWaalsContact O-O 3.14Å; L136-F145 HydrophobicContact CD1-CE2 4.35Å; L136-F145 HydrophobicContact CD1-CZ 4.35Å; L136-F145 HydrophobicContact CD2-CB 4.1Å; L136-F145 HydrophobicContact CD2-CD1 3.17Å; L136-F145 HydrophobicContact CD2-CD2 3.83Å; L136-F145 HydrophobicContact CD2-CE1 3.38Å; L136-F145 HydrophobicContact CD2-CE2 4.01Å; L136-F145 HydrophobicContact CD2-CG 3.42Å; L136-F145 VanDerWaalsContact CD2-CG 3.42Å; L136-F145 HydrophobicContact CD2-CZ 3.79Å; L136-F145 HydrophobicContact CG-CB 4.44Å; L136-F145 HydrophobicContact CG-CD1 4.02Å; L136-F145 HydrophobicContact CG-CD2 3.7Å; L136-F145 HydrophobicContact CG-CE1 4.15Å; L136-F145 HydrophobicContact CG-CE2 3.85Å; L136-F145 HydrophobicContact CG-CG 3.8Å; L136-F145 HydrophobicContact CG-CZ 4.06Å; L136-W148 HydrophobicContact CD2-CE3 3.71Å; L136-W148 HydrophobicContact CD2-CZ3 3.55Å |
| 137 | L | 86.4 | Confident | 85.7 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.9 | -33.4 | 177.2 | -176.9 | 64.7 | 0 | 0 | 0 | 113.2 | A133 R134 L135 F145 N146 V149 | A133-L137 WeakPolarHBondContact O-CB 3.44Å; A133-L137 PolarHBondContact O-N 2.89Å; R134-L137 PolarHBondContact O-N 3.25Å; L135-L137 PolarHBondContact O-N 3.46Å; L137-F145 HydrophobicContact CB-CB 4.41Å; L137-F145 HydrophobicContact CD1-CB 4.33Å; L137-N146 HydrophobicContact CD1-CB 4.25Å; L137-N146 HydrophobicContact CD2-CB 4.41Å; L137-V149 HydrophobicContact CD2-CG2 4.39Å |
| 138 | Q | 86.3 | Confident | 85.9 | Confident | 151 Ų | 151 | 43.6 Ų | 43.6 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70 | -43.5 | 176.8 | -77.3 | 176.4 | -5.9 | 0 | 0 | 111.9 | R134 L135 L136 | R134-Q138 WeakPolarHBondContact O-CG 3.49Å; R134-Q138 PolarHBondContact O-N 3.44Å; L135-Q138 PolarHBondContact O-N 3.32Å; L136-Q138 PolarHBondContact O-N 2.91Å |
| 139 | N | 83.6 | Confident | 86.1 | Confident | 74 Ų | 74 | 42.8 Ų | 42.8 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -80.1 | -37.6 | -178.1 | -66.8 | -0.7 | 0 | 0 | 0 | 111.9 | L135 L136 | L135-N139 PolarHBondContact O-N 3.47Å; L136-N139 PolarHBondContact O-N 2.94Å |
| 140 | F | 84.2 | Confident | 86.1 | Confident | 53 Ų | 53 | 42.8 Ų | 42.8 | 23% | 0.232 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -132.1 | 89 | -174.6 | -55.1 | -77.2 | 0 | 0 | 0 | 109.7 | E110 L113 L136 S142 F145 | E110-F140 HydrophobicContact CB-CD1 4.3Å; E110-F140 HydrophobicContact CB-CD2 3.92Å; E110-F140 HydrophobicContact CB-CE1 4.12Å; E110-F140 HydrophobicContact CB-CE2 3.73Å; E110-F140 HydrophobicContact CB-CG 4.21Å; E110-F140 HydrophobicContact CB-CZ 3.84Å; E110-F140 HydrophobicContact CG-CD1 4.47Å; E110-F140 HydrophobicContact CG-CD2 3.94Å; E110-F140 HydrophobicContact CG-CE2 4.27Å; E110-F140 HydrophobicContact CG-CG 4.05Å; L113-F140 HydrophobicContact CD1-CE2 4.28Å; L136-F140 HydrophobicContact CD1-CD2 4.31Å; L136-F140 CarbonylContact O-C 3.37Å; L136-F140 WeakPolarHBondContact O-CA 3.22Å; L136-F140 WeakPolarHBondContact O-CB 3.32Å; L136-F140 PolarHBondContact O-N 3.25Å; L136-F140 VanDerWaalsContact O-O 3.14Å; F140-S142 PolarHBondContact O-N 3.21Å; F140-F145 HydrophobicContact CB-CD2 4.47Å; F140-F145 HydrophobicContact CB-CE2 4.05Å; F140-F145 VanDerWaalsContact O-CD2 3.26Å; F140-F145 WeakPolarHBondContact O-CD2 3.26Å |
| 141 | P | 80.5 | Confident | 86.1 | Confident | 116 Ų | 116 | 42.1 Ų | 42.1 | 75% | 0.753 | 23% | 0.233 | S | C | * | . | trans | -68.2 | 108.8 | -177.8 | 25.8 | -32.9 | 0 | 0 | 0 | 111.2 | ||||
| 142 | S | 83.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 39.3 Ų | 39.3 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | trans | -140.2 | 142.2 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | F140 S144 F145 N146 | F140-S142 PolarHBondContact O-N 3.21Å; S142-S144 PolarHBondContact O-N 3.17Å; S142-S144 PolarHBondContact OG-N 2.71Å; S142-F145 PolarHBondContact O-N 2.88Å; S142-F145 VanDerWaalsContact O-N 3.15Å; S142-N146 PolarHBondContact O-N 2.83Å | ||
| 143 | S | 81.3 | Confident | 86.5 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.9 | -37.6 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | F145 N146 Y147 | S143-F145 VanDerWaalsContact C-N 3.33Å; S143-F145 PolarHBondContact O-N 3.1Å; S143-N146 WeakPolarHBondContact O-CB 3.28Å; S143-N146 PolarHBondContact O-N 3.27Å; S143-Y147 WeakPolarHBondContact O-CD2 3.35Å; S143-Y147 PolarHBondContact O-N 2.73Å; S143-Y147 VanDerWaalsContact O-N 3.14Å |
| 144 | S | 82.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 39 Ų | 39 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.9 | -44.8 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | S142 N146 Y147 W148 H584 | S142-S144 PolarHBondContact O-N 3.17Å; S142-S144 PolarHBondContact OG-N 2.71Å; S144-N146 VanDerWaalsContact C-N 3.34Å; S144-Y147 PolarHBondContact O-N 3.35Å; S144-W148 PolarHBondContact O-N 2.88Å; S144-H584 PolarHBondContact OG-CE1 3.15Å |
| 145 | F | 86 | Confident | 86.5 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.4 | -28.2 | -178.5 | -54.8 | -34 | 0 | 0 | 0 | 112.2 | E110 V114 L136 L137 F140 S142 S143 W148 V149 | E110-F145 HydrophobicContact CG-CZ 4.37Å; E110-F145 VanDerWaalsContact OE1-CZ 3.29Å; E110-F145 WeakPolarHBondContact OE1-CZ 3.39Å; V114-F145 HydrophobicContact CG2-CE1 4.28Å; V114-F145 HydrophobicContact CG2-CZ 4.36Å; L136-F145 HydrophobicContact CD1-CE2 4.35Å; L136-F145 HydrophobicContact CD1-CZ 4.35Å; L136-F145 HydrophobicContact CD2-CB 4.1Å; L136-F145 HydrophobicContact CD2-CD1 3.17Å; L136-F145 HydrophobicContact CD2-CD2 3.83Å; L136-F145 HydrophobicContact CD2-CE1 3.38Å; L136-F145 HydrophobicContact CD2-CE2 4.01Å; L136-F145 HydrophobicContact CD2-CG 3.42Å; L136-F145 VanDerWaalsContact CD2-CG 3.42Å; L136-F145 HydrophobicContact CD2-CZ 3.79Å; L136-F145 HydrophobicContact CG-CB 4.44Å; L136-F145 HydrophobicContact CG-CD1 4.02Å; L136-F145 HydrophobicContact CG-CD2 3.7Å; L136-F145 HydrophobicContact CG-CE1 4.15Å; L136-F145 HydrophobicContact CG-CE2 3.85Å; L136-F145 HydrophobicContact CG-CG 3.8Å; L136-F145 HydrophobicContact CG-CZ 4.06Å; L137-F145 HydrophobicContact CB-CB 4.41Å; L137-F145 HydrophobicContact CD1-CB 4.33Å; F140-F145 HydrophobicContact CB-CD2 4.47Å; F140-F145 HydrophobicContact CB-CE2 4.05Å; F140-F145 VanDerWaalsContact O-CD2 3.26Å; F140-F145 WeakPolarHBondContact O-CD2 3.26Å; S142-F145 PolarHBondContact O-N 2.88Å; S142-F145 VanDerWaalsContact O-N 3.15Å; S143-F145 VanDerWaalsContact C-N 3.33Å; S143-F145 PolarHBondContact O-N 3.1Å; F145-W148 AromaticContact CD1-CD2 3.99Å; F145-W148 HydrophobicContact CD1-CD2 3.99Å; F145-W148 AromaticContact CD1-CE3 3.69Å; F145-W148 HydrophobicContact CD1-CE3 3.69Å; F145-W148 HydrophobicContact CD1-CH2 4.13Å; F145-W148 HydrophobicContact CD1-CZ2 4.42Å; F145-W148 AromaticContact CD1-CZ3 3.77Å; F145-W148 HydrophobicContact CD1-CZ3 3.77Å; F145-W148 HydrophobicContact CE1-CE3 4.17Å; F145-W148 AromaticContact CE1-CH2 3.82Å; F145-W148 HydrophobicContact CE1-CH2 3.82Å; F145-W148 HydrophobicContact CE1-CZ2 4.31Å; F145-W148 AromaticContact CE1-CZ3 3.75Å; F145-W148 HydrophobicContact CE1-CZ3 3.75Å; F145-W148 WeakPolarHBondContact O-CB 3.45Å; F145-W148 PolarHBondContact O-N 3.18Å; F145-V149 WeakPolarHBondContact O-CG2 3.4Å; F145-V149 PolarHBondContact O-N 3.45Å |
| 146 | N | 87 | Confident | 86.6 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 170.1 | -173 | 32.6 | 0 | 0 | 0 | 110.9 | L137 S142 S143 S144 W148 V149 I150 M175 E179 | L137-N146 HydrophobicContact CD1-CB 4.25Å; L137-N146 HydrophobicContact CD2-CB 4.41Å; S142-N146 PolarHBondContact O-N 2.83Å; S143-N146 WeakPolarHBondContact O-CB 3.28Å; S143-N146 PolarHBondContact O-N 3.27Å; S144-N146 VanDerWaalsContact C-N 3.34Å; N146-W148 VanDerWaalsContact C-N 3.27Å; N146-W148 PolarHBondContact O-N 3.36Å; N146-V149 WeakPolarHBondContact O-CB 3.43Å; N146-V149 PolarHBondContact O-N 2.8Å; N146-V149 VanDerWaalsContact O-N 3.11Å; N146-I150 WeakPolarHBondContact O-CG1 3.29Å; N146-I150 PolarHBondContact O-N 3.45Å; N146-M175 WeakPolarHBondContact OD1-CE 3.4Å; N146-E179 WeakPolarHBondContact ND2-CG 3.22Å; N146-E179 PolarHBondContact ND2-OE1 2.69Å; N146-E179 VanDerWaalsContact ND2-OE1 3.08Å; N146-E179 PolarHBondContact ND2-OE2 2.99Å; N146-E179 VanDerWaalsContact ND2-OE2 3.11Å |
| 147 | Y | 87.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -31.7 | 173.4 | -72.3 | -68.1 | 0 | 0 | 0 | 113.4 | S143 S144 I150 M151 L176 M185 E190 Y586 | S143-Y147 WeakPolarHBondContact O-CD2 3.35Å; S143-Y147 PolarHBondContact O-N 2.73Å; S143-Y147 VanDerWaalsContact O-N 3.14Å; S144-Y147 PolarHBondContact O-N 3.35Å; Y147-I150 HydrophobicContact CD1-CD1 4.2Å; Y147-I150 PolarHBondContact O-N 2.61Å; Y147-M151 VanDerWaalsContact O-CB 3.22Å; Y147-M151 WeakPolarHBondContact O-CB 3.42Å; Y147-M151 PolarHBondContact O-N 3.48Å; Y147-L176 HydrophobicContact CD1-CD2 4.35Å; Y147-L176 HydrophobicContact CE1-CD2 3.97Å; Y147-M185 VanDerWaalsContact OH-CG 3.25Å; Y147-M185 WeakPolarHBondContact OH-CG 3.25Å; Y147-E190 HydrophobicContact CD1-CG 4.32Å; Y147-E190 HydrophobicContact CD2-CG 4.5Å; Y147-E190 HydrophobicContact CE1-CB 3.86Å; Y147-E190 HydrophobicContact CE1-CG 3.74Å; Y147-E190 HydrophobicContact CE2-CG 3.91Å; Y147-E190 VanDerWaalsContact CE2-OE1 3.3Å; Y147-E190 WeakPolarHBondContact CE2-OE1 3.47Å; Y147-E190 VanDerWaalsContact CZ-CG 3.5Å; Y147-E190 VanDerWaalsContact CZ-OE2 3.3Å; Y147-E190 WeakPolarHBondContact OH-CB 3.43Å; Y147-E190 PolarHBondContact OH-OE2 2.82Å; Y147-Y586 VanDerWaalsContact CB-OH 3.27Å; Y147-Y586 WeakPolarHBondContact CB-OH 3.36Å; Y147-Y586 HydrophobicContact CD1-CD2 4.48Å; Y147-Y586 HydrophobicContact CD1-CE2 4.17Å; Y147-Y586 HydrophobicContact CD2-CE2 4.11Å; Y147-Y586 HydrophobicContact CG-CD2 4.42Å; Y147-Y586 AromaticContact CG-CE2 3.69Å; Y147-Y586 HydrophobicContact CG-CE2 3.69Å |
| 148 | W | 89.4 | Confident | 86.4 | Confident | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.045 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 172.2 | -70 | 10.3 | 0 | 0 | 0 | 111.9 | V114 F117 A133 L136 S144 F145 N146 S152 Y581 | V114-W148 HydrophobicContact CG1-CH2 3.9Å; V114-W148 HydrophobicContact CG1-CZ3 4.32Å; V114-W148 HydrophobicContact CG2-CH2 4.13Å; V114-W148 HydrophobicContact CG2-CZ3 4.09Å; F117-W148 HydrophobicContact CB-CZ3 4.38Å; F117-W148 AromaticContact CD1-CD2 3.96Å; F117-W148 HydrophobicContact CD1-CD2 3.96Å; F117-W148 AromaticContact CD1-CE3 3.34Å; F117-W148 HydrophobicContact CD1-CE3 3.34Å; F117-W148 HydrophobicContact CD1-CH2 4.21Å; F117-W148 AromaticContact CD1-CZ3 3.48Å; F117-W148 HydrophobicContact CD1-CZ3 3.48Å; F117-W148 VanDerWaalsContact CD1-CZ3 3.48Å; F117-W148 HydrophobicContact CD2-CE3 4.06Å; F117-W148 HydrophobicContact CE1-CB 4.29Å; F117-W148 AromaticContact CE1-CD2 3.46Å; F117-W148 HydrophobicContact CE1-CD2 3.46Å; F117-W148 VanDerWaalsContact CE1-CD2 3.46Å; F117-W148 AromaticContact CE1-CE3 3.36Å; F117-W148 HydrophobicContact CE1-CE3 3.36Å; F117-W148 AromaticContact CE1-CG 3.9Å; F117-W148 HydrophobicContact CE1-CG 3.9Å; F117-W148 HydrophobicContact CE1-CH2 4.45Å; F117-W148 AromaticContact CE1-CZ3 3.89Å; F117-W148 HydrophobicContact CE1-CZ3 3.89Å; F117-W148 HydrophobicContact CE2-CB 3.83Å; F117-W148 HydrophobicContact CE2-CD2 4.34Å; F117-W148 HydrophobicContact CE2-CE3 4.04Å; F117-W148 HydrophobicContact CE2-CG 4.31Å; F117-W148 AromaticContact CG-CE3 3.72Å; F117-W148 HydrophobicContact CG-CE3 3.72Å; F117-W148 AromaticContact CG-CZ3 3.96Å; F117-W148 HydrophobicContact CG-CZ3 3.96Å; F117-W148 HydrophobicContact CZ-CB 3.55Å; F117-W148 AromaticContact CZ-CD2 3.68Å; F117-W148 HydrophobicContact CZ-CD2 3.68Å; F117-W148 AromaticContact CZ-CE3 3.71Å; F117-W148 HydrophobicContact CZ-CE3 3.71Å; F117-W148 AromaticContact CZ-CG 3.64Å; F117-W148 HydrophobicContact CZ-CG 3.64Å; A133-W148 HydrophobicContact CB-CB 4.25Å; L136-W148 HydrophobicContact CD2-CE3 3.71Å; L136-W148 HydrophobicContact CD2-CZ3 3.55Å; S144-W148 PolarHBondContact O-N 2.88Å; F145-W148 AromaticContact CD1-CD2 3.99Å; F145-W148 HydrophobicContact CD1-CD2 3.99Å; F145-W148 AromaticContact CD1-CE3 3.69Å; F145-W148 HydrophobicContact CD1-CE3 3.69Å; F145-W148 HydrophobicContact CD1-CH2 4.13Å; F145-W148 HydrophobicContact CD1-CZ2 4.42Å; F145-W148 AromaticContact CD1-CZ3 3.77Å; F145-W148 HydrophobicContact CD1-CZ3 3.77Å; F145-W148 HydrophobicContact CE1-CE3 4.17Å; F145-W148 AromaticContact CE1-CH2 3.82Å; F145-W148 HydrophobicContact CE1-CH2 3.82Å; F145-W148 HydrophobicContact CE1-CZ2 4.31Å; F145-W148 AromaticContact CE1-CZ3 3.75Å; F145-W148 HydrophobicContact CE1-CZ3 3.75Å; F145-W148 WeakPolarHBondContact O-CB 3.45Å; F145-W148 PolarHBondContact O-N 3.18Å; N146-W148 VanDerWaalsContact C-N 3.27Å; N146-W148 PolarHBondContact O-N 3.36Å; W148-S152 VanDerWaalsContact O-CB 3.3Å; W148-S152 WeakPolarHBondContact O-CB 3.14Å; W148-S152 PolarHBondContact O-N 3.37Å; W148-S152 PolarHBondContact O-OG 2.81Å; W148-Y581 AromaticContact CD1-CD1 3.89Å; W148-Y581 HydrophobicContact CG-CD1 4.29Å; W148-Y581 PolarHBondContact NE1-O 2.71Å |
| 149 | V | 90.1 | Very high | 86.1 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | Q130 A133 R134 L137 F145 N146 S152 T153 M175 | Q130-V149 HydrophobicContact CG-CG1 4.18Å; A133-V149 HydrophobicContact CB-CB 4.42Å; A133-V149 HydrophobicContact CB-CG2 3.55Å; R134-V149 HydrophobicContact CG-CG1 4.02Å; R134-V149 HydrophobicContact CG-CG2 4.06Å; L137-V149 HydrophobicContact CD2-CG2 4.39Å; F145-V149 WeakPolarHBondContact O-CG2 3.4Å; F145-V149 PolarHBondContact O-N 3.45Å; N146-V149 WeakPolarHBondContact O-CB 3.43Å; N146-V149 PolarHBondContact O-N 2.8Å; N146-V149 VanDerWaalsContact O-N 3.11Å; V149-S152 PolarHBondContact O-N 2.99Å; V149-T153 WeakPolarHBondContact O-CB 3.43Å; V149-T153 PolarHBondContact O-N 2.85Å; V149-T153 PolarHBondContact O-OG1 2.99Å; V149-M175 HydrophobicContact CB-CE 4.17Å; V149-M175 HydrophobicContact CG1-CE 3.74Å; V149-M175 HydrophobicContact CG1-SD 4.46Å |
| 150 | I | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.5 | -53.1 | 178.8 | -66.4 | 168.1 | 0 | 0 | 0 | 109.9 | N146 Y147 S152 T153 I154 A172 M175 L176 | N146-I150 WeakPolarHBondContact O-CG1 3.29Å; N146-I150 PolarHBondContact O-N 3.45Å; Y147-I150 HydrophobicContact CD1-CD1 4.2Å; Y147-I150 PolarHBondContact O-N 2.61Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 3.36Å; I150-T153 WeakPolarHBondContact O-CA 3.49Å; I150-T153 VanDerWaalsContact O-CB 3.27Å; I150-T153 WeakPolarHBondContact O-CB 3.45Å; I150-T153 PolarHBondContact O-N 3.21Å; I150-I154 HydrophobicContact CG2-CD1 3.93Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.49Å; I150-I154 PolarHBondContact O-N 3.33Å; I150-A172 HydrophobicContact CG2-CB 4.41Å; I150-M175 HydrophobicContact CD1-CB 3.98Å; I150-M175 HydrophobicContact CG1-CB 3.75Å; I150-M175 HydrophobicContact CG1-CE 3.73Å; I150-M175 HydrophobicContact CG1-SD 4.17Å; I150-L176 HydrophobicContact CD1-CD2 3.83Å; I150-L176 HydrophobicContact CD1-CG 4.07Å; I150-L176 HydrophobicContact CG2-CD1 3.89Å; I150-L176 HydrophobicContact CG2-CD2 3.91Å; I150-L176 HydrophobicContact CG2-CG 3.68Å |
| 151 | M | 89.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | -179.4 | -175.8 | 57.3 | 76.3 | 0 | 0 | 111.5 | Y147 T153 I154 M155 L193 Y581 Y586 V589 | Y147-M151 VanDerWaalsContact O-CB 3.22Å; Y147-M151 WeakPolarHBondContact O-CB 3.42Å; Y147-M151 PolarHBondContact O-N 3.48Å; M151-T153 PolarHBondContact O-N 3.46Å; M151-I154 PolarHBondContact O-N 2.83Å; M151-I154 VanDerWaalsContact O-N 3.15Å; M151-I154 HydrophobicContact SD-CB 4.44Å; M151-M155 HydrophobicContact CG-CG 4.34Å; M151-M155 VanDerWaalsContact O-CG 3.29Å; M151-M155 WeakPolarHBondContact O-CG 3.49Å; M151-M155 PolarHBondContact O-N 2.76Å; M151-M155 HydrophobicContact SD-CG 4.21Å; M151-M155 HydrophobicContact SD-SD 4.3Å; M151-L193 HydrophobicContact CE-CD1 3.63Å; M151-L193 HydrophobicContact CE-CD2 3.98Å; M151-L193 HydrophobicContact CE-CG 4.47Å; M151-Y581 HydrophobicContact CB-CE1 3.94Å; M151-Y581 HydrophobicContact CG-CE1 3.63Å; M151-Y581 VanDerWaalsContact CG-OH 3.26Å; M151-Y581 WeakPolarHBondContact CG-OH 3.16Å; M151-Y586 VanDerWaalsContact CE-CB 3.41Å; M151-Y586 HydrophobicContact CE-CD1 4.07Å; M151-Y586 HydrophobicContact CE-CG 4.09Å; M151-Y586 WeakPolarHBondContact CE-O 3.49Å; M151-V589 HydrophobicContact CE-CB 4.06Å; M151-V589 HydrophobicContact CE-CG2 4.27Å; M151-V589 HydrophobicContact CG-CB 4.32Å; M151-V589 HydrophobicContact CG-CG1 3.86Å; M151-V589 HydrophobicContact CG-CG2 4.44Å; M151-V589 HydrophobicContact SD-CB 4.05Å; M151-V589 HydrophobicContact SD-CG1 3.88Å |
| 152 | S | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -36.4 | 174.1 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | Q129 W148 V149 I150 M155 Q156 | Q129-S152 WeakPolarHBondContact CG-OG 3.41Å; Q129-S152 PolarHBondContact NE2-OG 2.85Å; W148-S152 VanDerWaalsContact O-CB 3.3Å; W148-S152 WeakPolarHBondContact O-CB 3.14Å; W148-S152 PolarHBondContact O-N 3.37Å; W148-S152 PolarHBondContact O-OG 2.81Å; V149-S152 PolarHBondContact O-N 2.99Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 3.36Å; S152-M155 PolarHBondContact O-N 3.21Å; S152-Q156 WeakPolarHBondContact O-CG 3.42Å; S152-Q156 PolarHBondContact O-N 3.43Å |
| 153 | T | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | 176.7 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | Q130 V149 I150 M151 Q156 A157 Y168 L171 A172 | Q130-T153 PolarHBondContact NE2-OG1 2.93Å; V149-T153 WeakPolarHBondContact O-CB 3.43Å; V149-T153 PolarHBondContact O-N 2.85Å; V149-T153 PolarHBondContact O-OG1 2.99Å; I150-T153 WeakPolarHBondContact O-CA 3.49Å; I150-T153 VanDerWaalsContact O-CB 3.27Å; I150-T153 WeakPolarHBondContact O-CB 3.45Å; I150-T153 PolarHBondContact O-N 3.21Å; M151-T153 PolarHBondContact O-N 3.46Å; T153-Q156 PolarHBondContact O-N 2.89Å; T153-A157 PolarHBondContact O-N 2.97Å; T153-A157 VanDerWaalsContact O-N 3.16Å; T153-Y168 HydrophobicContact CG2-CD1 4.08Å; T153-Y168 WeakPolarHBondContact CG2-O 3.46Å; T153-L171 HydrophobicContact CG2-CB 4.49Å; T153-L171 HydrophobicContact CG2-CD2 4.13Å; T153-L171 HydrophobicContact CG2-CG 4.42Å; T153-A172 HydrophobicContact CG2-CB 4.27Å |
| 154 | I | 88.7 | Confident | 85.5 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.4 | -64.4 | 171 | 0 | 0 | 0 | 110.6 | I150 M151 Q156 A157 E158 A172 L193 L197 | I150-I154 HydrophobicContact CG2-CD1 3.93Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.49Å; I150-I154 PolarHBondContact O-N 3.33Å; M151-I154 PolarHBondContact O-N 2.83Å; M151-I154 VanDerWaalsContact O-N 3.15Å; M151-I154 HydrophobicContact SD-CB 4.44Å; I154-Q156 PolarHBondContact O-N 3.4Å; I154-A157 WeakPolarHBondContact O-CA 3.45Å; I154-A157 WeakPolarHBondContact O-CB 3.35Å; I154-A157 PolarHBondContact O-N 3.48Å; I154-E158 PolarHBondContact O-N 3.5Å; I154-E158 VanDerWaalsContact O-N 3.15Å; I154-A172 HydrophobicContact CD1-CB 4.48Å; I154-A172 HydrophobicContact CG1-CB 3.81Å; I154-L193 HydrophobicContact CD1-CD1 3.84Å; I154-L193 HydrophobicContact CD1-CD2 4.17Å; I154-L193 HydrophobicContact CD1-CG 4.08Å; I154-L197 HydrophobicContact CD1-CD1 3.7Å; I154-L197 HydrophobicContact CG1-CD1 3.76Å |
| 155 | M | 87.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.5 | -32.1 | 178.8 | -64.1 | -50.6 | -60.8 | 0 | 0 | 112.9 | F126 M151 S152 A157 E158 S159 V589 T593 | F126-M155 HydrophobicContact CB-CB 4.34Å; F126-M155 HydrophobicContact CD1-CB 3.44Å; F126-M155 VanDerWaalsContact CD1-CB 3.44Å; F126-M155 HydrophobicContact CD1-CG 4.32Å; F126-M155 HydrophobicContact CD2-CB 4.26Å; F126-M155 WeakPolarHBondContact CD2-O 3.34Å; F126-M155 HydrophobicContact CE1-CB 3.69Å; F126-M155 HydrophobicContact CE1-CE 4.02Å; F126-M155 HydrophobicContact CE1-CG 4.26Å; F126-M155 HydrophobicContact CE2-CB 4.47Å; F126-M155 HydrophobicContact CG-CB 3.76Å; F126-M155 HydrophobicContact CZ-CB 4.21Å; F126-M155 HydrophobicContact CZ-CE 3.95Å; M151-M155 HydrophobicContact CG-CG 4.34Å; M151-M155 VanDerWaalsContact O-CG 3.29Å; M151-M155 WeakPolarHBondContact O-CG 3.49Å; M151-M155 PolarHBondContact O-N 2.76Å; M151-M155 HydrophobicContact SD-CG 4.21Å; M151-M155 HydrophobicContact SD-SD 4.3Å; S152-M155 PolarHBondContact O-N 3.21Å; M155-A157 PolarHBondContact O-N 3.33Å; M155-E158 HydrophobicContact CE-CG 4.41Å; M155-E158 WeakPolarHBondContact O-CB 3.41Å; M155-E158 PolarHBondContact O-N 3.5Å; M155-E158 HydrophobicContact SD-CG 4.4Å; M155-S159 PolarHBondContact O-N 3.24Å; M155-S159 VanDerWaalsContact O-N 3.12Å; M155-V589 HydrophobicContact CG-CG1 4.31Å; M155-V589 HydrophobicContact SD-CG1 4.12Å; M155-T593 HydrophobicContact CE-CG2 3.52Å; M155-T593 VanDerWaalsContact CE-OG1 3.31Å; M155-T593 WeakPolarHBondContact CE-OG1 3.34Å |
| 156 | Q | 88.5 | Confident | 85 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -31.8 | 167.6 | -75.5 | 179.4 | 41.8 | 0 | 0 | 112.6 | F126 S152 T153 I154 E158 S159 N160 Y168 | F126-Q156 HydrophobicContact CB-CB 4.39Å; F126-Q156 HydrophobicContact CB-CG 3.48Å; F126-Q156 VanDerWaalsContact CB-CG 3.48Å; F126-Q156 PolarHBondContact O-NE2 3.42Å; S152-Q156 WeakPolarHBondContact O-CG 3.42Å; S152-Q156 PolarHBondContact O-N 3.43Å; T153-Q156 PolarHBondContact O-N 2.89Å; I154-Q156 PolarHBondContact O-N 3.4Å; Q156-E158 VanDerWaalsContact C-N 3.33Å; Q156-S159 PolarHBondContact O-OG 2.92Å; Q156-S159 VanDerWaalsContact O-OG 3.08Å; Q156-N160 PolarHBondContact O-N 2.92Å; Q156-Y168 HydrophobicContact CB-CD1 4.34Å; Q156-Y168 HydrophobicContact CB-CD2 4.19Å; Q156-Y168 HydrophobicContact CB-CE1 4.32Å; Q156-Y168 HydrophobicContact CB-CE2 4.19Å; Q156-Y168 HydrophobicContact CB-CG 4.28Å; Q156-Y168 VanDerWaalsContact OE1-CZ 3.27Å; Q156-Y168 PolarHBondContact OE1-OH 3.41Å |
| 157 | A | 85.3 | Confident | 85 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.2 | -32.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T153 I154 M155 N160 G164 L169 | T153-A157 PolarHBondContact O-N 2.97Å; T153-A157 VanDerWaalsContact O-N 3.16Å; I154-A157 WeakPolarHBondContact O-CA 3.45Å; I154-A157 WeakPolarHBondContact O-CB 3.35Å; I154-A157 PolarHBondContact O-N 3.48Å; M155-A157 PolarHBondContact O-N 3.33Å; A157-N160 CarbonylContact O-C 3.56Å; A157-G164 VanDerWaalsContact CB-CA 3.47Å; A157-L169 HydrophobicContact CB-CD2 3.7Å; A157-L169 HydrophobicContact CB-CG 3.79Å |
| 158 | E | 81.9 | Confident | 85 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.1 | -40.8 | 174.6 | -62.9 | -63.1 | 126.4 | 0 | 0 | 112 | I154 M155 Q156 N160 R200 R590 | I154-E158 PolarHBondContact O-N 3.5Å; I154-E158 VanDerWaalsContact O-N 3.15Å; M155-E158 HydrophobicContact CE-CG 4.41Å; M155-E158 WeakPolarHBondContact O-CB 3.41Å; M155-E158 PolarHBondContact O-N 3.5Å; M155-E158 HydrophobicContact SD-CG 4.4Å; Q156-E158 VanDerWaalsContact C-N 3.33Å; E158-N160 VanDerWaalsContact C-N 3.31Å; E158-N160 PolarHBondContact O-N 3.19Å; E158-R200 IonicContact OE1-CZ 2.95Å; E158-R200 IonicContact OE1-NH1 3.2Å; E158-R200 PolarHBondContact OE1-NH1 3.32Å; E158-R200 IonicContact OE1-NH2 2.76Å; E158-R200 PolarHBondContact OE1-NH2 3.37Å; E158-R590 VanDerWaalsContact CD-NE 3.27Å; E158-R590 IonicContact OE1-CZ 3.71Å; E158-R590 IonicContact OE1-NE 3.69Å; E158-R590 PolarHBondContact OE1-NE 3.03Å; E158-R590 IonicContact OE1-NH2 3.8Å; E158-R590 PolarHBondContact OE1-NH2 3.07Å; E158-R590 IonicContact OE2-CZ 2.86Å; E158-R590 IonicContact OE2-NE 2.77Å; E158-R590 PolarHBondContact OE2-NE 3.11Å; E158-R590 IonicContact OE2-NH2 3.18Å; E158-R590 PolarHBondContact OE2-NH2 3Å |
| 159 | S | 79.3 | Confident | 85 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 53% | 0.531 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.1 | -28.1 | -178.7 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | M155 Q156 | M155-S159 PolarHBondContact O-N 3.24Å; M155-S159 VanDerWaalsContact O-N 3.12Å; Q156-S159 PolarHBondContact O-OG 2.92Å; Q156-S159 VanDerWaalsContact O-OG 3.08Å |
| 160 | N | 83.3 | Confident | 85 | Confident | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.353 | 24% | 0.236 | S | C | . | . | trans | -132.9 | 91.1 | 175.5 | -172.1 | -28.8 | 0 | 0 | 0 | 110.1 | Q156 A157 E158 I162 M163 G164 | Q156-N160 PolarHBondContact O-N 2.92Å; A157-N160 CarbonylContact O-C 3.56Å; E158-N160 VanDerWaalsContact C-N 3.31Å; E158-N160 PolarHBondContact O-N 3.19Å; N160-I162 PolarHBondContact O-N 3.2Å; N160-I162 PolarHBondContact OD1-N 2.89Å; N160-M163 HydrophobicContact CB-CB 4.36Å; N160-M163 PolarHBondContact O-N 3.32Å; N160-M163 PolarHBondContact OD1-N 3.24Å; N160-M163 VanDerWaalsContact OD1-N 3.13Å; N160-G164 WeakPolarHBondContact O-CA 3.33Å; N160-G164 PolarHBondContact O-N 3.34Å | ||
| 161 | P | 77.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 49.9 Ų | 49.9 | 57% | 0.571 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.1 | -31.1 | -174.9 | 21.7 | -32.4 | 0 | 0 | 0 | 113 | G164 H165 | P161-G164 PolarHBondContact O-N 2.85Å; P161-H165 PolarHBondContact O-N 3.12Å; P161-H165 VanDerWaalsContact O-N 3.13Å |
| 162 | I | 81.4 | Confident | 85 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 60% | 0.595 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -66.1 | -52.9 | -179.8 | -56.9 | 173.2 | 0 | 0 | 0 | 110.6 | N160 G164 R166 | N160-I162 PolarHBondContact O-N 3.2Å; N160-I162 PolarHBondContact OD1-N 2.89Å; I162-G164 VanDerWaalsContact C-N 3.27Å; I162-R166 WeakPolarHBondContact O-CG 3.38Å; I162-R166 PolarHBondContact O-N 3.49Å |
| 163 | M | 79.3 | Confident | 85 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.9 | -26.1 | 175.7 | -67.8 | -60.6 | -68.1 | 0 | 0 | 111.9 | N160 R166 M167 Y168 | N160-M163 HydrophobicContact CB-CB 4.36Å; N160-M163 PolarHBondContact O-N 3.32Å; N160-M163 PolarHBondContact OD1-N 3.24Å; N160-M163 VanDerWaalsContact OD1-N 3.13Å; M163-R166 PolarHBondContact O-N 2.98Å; M163-M167 HydrophobicContact CE-SD 4.31Å; M163-M167 PolarHBondContact O-N 3.1Å; M163-Y168 HydrophobicContact CB-CD2 3.98Å; M163-Y168 HydrophobicContact CB-CE2 3.62Å; M163-Y168 PolarHBondContact O-N 3.42Å |
| 164 | G | 79.1 | Confident | 85 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -54.3 | -58.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A157 N160 P161 I162 Y168 L169 | A157-G164 VanDerWaalsContact CB-CA 3.47Å; N160-G164 WeakPolarHBondContact O-CA 3.33Å; N160-G164 PolarHBondContact O-N 3.34Å; P161-G164 PolarHBondContact O-N 2.85Å; I162-G164 VanDerWaalsContact C-N 3.27Å; G164-Y168 PolarHBondContact O-N 2.97Å; G164-L169 WeakPolarHBondContact O-CB 3.28Å; G164-L169 WeakPolarHBondContact O-CG 3.37Å; G164-L169 PolarHBondContact O-N 2.8Å |
| 165 | H | 77.4 | Confident | 84.9 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -69.7 | -35.4 | 179.5 | -80 | 34.2 | 0 | 0 | 0 | 113.1 | P161 L169 P170 | P161-H165 PolarHBondContact O-N 3.12Å; P161-H165 VanDerWaalsContact O-N 3.13Å; H165-L169 WeakPolarHBondContact ND1-CD1 3.29Å; H165-P170 WeakPolarHBondContact O-CD 3.3Å |
| 166 | R | 81.4 | Confident | 84.9 | Confident | 202 Ų | 202 | 58.6 Ų | 58.6 | 76% | 0.762 | 29% | 0.289 | S | S | * | . | I | π-helix | trans | -75.6 | -36.2 | -175.5 | -71.9 | -178.1 | 175.7 | -172.5 | -0.3 | 114.1 | I162 M163 | I162-R166 WeakPolarHBondContact O-CG 3.38Å; I162-R166 PolarHBondContact O-N 3.49Å; M163-R166 PolarHBondContact O-N 2.98Å |
| 167 | M | 86.1 | Confident | 84.9 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -132.6 | -50.1 | -168.3 | -165 | -178.8 | 95.1 | 0 | 0 | 113.3 | M163 L171 | M163-M167 HydrophobicContact CE-SD 4.31Å; M163-M167 PolarHBondContact O-N 3.1Å; M167-L171 VanDerWaalsContact O-CB 3.26Å; M167-L171 WeakPolarHBondContact O-CB 3.43Å; M167-L171 PolarHBondContact O-N 3.26Å |
| 168 | Y | 88 | Confident | 85 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -75.3 | -44.1 | -168.3 | -63.3 | -58 | 0 | 0 | 0 | 113.5 | T153 Q156 M163 G164 L171 A172 | T153-Y168 HydrophobicContact CG2-CD1 4.08Å; T153-Y168 WeakPolarHBondContact CG2-O 3.46Å; Q156-Y168 HydrophobicContact CB-CD1 4.34Å; Q156-Y168 HydrophobicContact CB-CD2 4.19Å; Q156-Y168 HydrophobicContact CB-CE1 4.32Å; Q156-Y168 HydrophobicContact CB-CE2 4.19Å; Q156-Y168 HydrophobicContact CB-CG 4.28Å; Q156-Y168 VanDerWaalsContact OE1-CZ 3.27Å; Q156-Y168 PolarHBondContact OE1-OH 3.41Å; M163-Y168 HydrophobicContact CB-CD2 3.98Å; M163-Y168 HydrophobicContact CB-CE2 3.62Å; M163-Y168 PolarHBondContact O-N 3.42Å; G164-Y168 PolarHBondContact O-N 2.97Å; Y168-L171 PolarHBondContact O-N 2.84Å; Y168-A172 WeakPolarHBondContact O-CB 3.34Å; Y168-A172 PolarHBondContact O-N 3Å |
| 169 | L | 89.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 178.1 | -65 | 177 | 0 | 0 | 0 | 112.3 | A157 G164 H165 L171 A172 E173 L197 L201 | A157-L169 HydrophobicContact CB-CD2 3.7Å; A157-L169 HydrophobicContact CB-CG 3.79Å; G164-L169 WeakPolarHBondContact O-CB 3.28Å; G164-L169 WeakPolarHBondContact O-CG 3.37Å; G164-L169 PolarHBondContact O-N 2.8Å; H165-L169 WeakPolarHBondContact ND1-CD1 3.29Å; L169-L171 PolarHBondContact O-N 3.48Å; L169-A172 PolarHBondContact O-N 3.48Å; L169-E173 WeakPolarHBondContact O-CB 3.41Å; L169-E173 PolarHBondContact O-N 3.17Å; L169-L197 HydrophobicContact CD2-CD1 4.36Å; L169-L197 HydrophobicContact CD2-CG 4.48Å; L169-L201 HydrophobicContact CB-CD1 4.37Å; L169-L201 HydrophobicContact CB-CD2 3.65Å; L169-L201 HydrophobicContact CB-CG 4.13Å; L169-L201 HydrophobicContact CD1-CD2 4.2Å |
| 170 | P | 89.6 | Confident | 85.4 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 25% | 0.253 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.6 | -30.1 | 174.4 | -23.9 | 34.7 | 0 | 0 | 0 | 113.5 | H165 E173 K174 L201 | H165-P170 WeakPolarHBondContact O-CD 3.3Å; P170-E173 WeakPolarHBondContact O-CB 3.5Å; P170-K174 WeakPolarHBondContact O-CG 3.33Å; P170-K174 PolarHBondContact O-N 3.06Å; P170-L201 HydrophobicContact CG-CD2 4.47Å |
| 171 | L | 89.2 | Confident | 85.4 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.5 | -47.5 | 174.4 | 178.5 | 61.9 | 0 | 0 | 0 | 111.2 | T153 M167 Y168 L169 E173 K174 M175 | T153-L171 HydrophobicContact CG2-CB 4.49Å; T153-L171 HydrophobicContact CG2-CD2 4.13Å; T153-L171 HydrophobicContact CG2-CG 4.42Å; M167-L171 VanDerWaalsContact O-CB 3.26Å; M167-L171 WeakPolarHBondContact O-CB 3.43Å; M167-L171 PolarHBondContact O-N 3.26Å; Y168-L171 PolarHBondContact O-N 2.84Å; L169-L171 PolarHBondContact O-N 3.48Å; L171-E173 VanDerWaalsContact C-N 3.29Å; L171-E173 PolarHBondContact O-N 3.01Å; L171-K174 PolarHBondContact O-N 2.76Å; L171-M175 HydrophobicContact CG-SD 4.46Å; L171-M175 WeakPolarHBondContact O-CG 3.32Å; L171-M175 PolarHBondContact O-N 2.95Å; L171-M175 VanDerWaalsContact O-N 3.11Å |
| 172 | A | 90.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I150 T153 I154 Y168 L169 M175 L176 L197 | I150-A172 HydrophobicContact CG2-CB 4.41Å; T153-A172 HydrophobicContact CG2-CB 4.27Å; I154-A172 HydrophobicContact CD1-CB 4.48Å; I154-A172 HydrophobicContact CG1-CB 3.81Å; Y168-A172 WeakPolarHBondContact O-CB 3.34Å; Y168-A172 PolarHBondContact O-N 3Å; L169-A172 PolarHBondContact O-N 3.48Å; A172-M175 PolarHBondContact O-N 3.03Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.03Å; A172-L197 HydrophobicContact CB-CD1 3.57Å |
| 173 | E | 90.5 | Very high | 85.5 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.8 | -56.6 | 171.1 | -170.7 | -159.5 | 146.9 | 0 | 0 | 111.3 | L169 P170 L171 M175 L176 I177 L197 L198 L201 K203 | L169-E173 WeakPolarHBondContact O-CB 3.41Å; L169-E173 PolarHBondContact O-N 3.17Å; P170-E173 WeakPolarHBondContact O-CB 3.5Å; L171-E173 VanDerWaalsContact C-N 3.29Å; L171-E173 PolarHBondContact O-N 3.01Å; E173-M175 PolarHBondContact O-N 3.49Å; E173-L176 PolarHBondContact O-N 3.32Å; E173-L176 VanDerWaalsContact O-N 3.13Å; E173-I177 HydrophobicContact CG-CD1 3.74Å; E173-I177 HydrophobicContact CG-CG1 4.4Å; E173-I177 WeakPolarHBondContact O-CG1 3.47Å; E173-I177 PolarHBondContact O-N 2.98Å; E173-L197 HydrophobicContact CB-CD2 3.64Å; E173-L197 HydrophobicContact CG-CD2 4.12Å; E173-L198 HydrophobicContact CG-CD2 4.01Å; E173-L201 HydrophobicContact CB-CD1 3.99Å; E173-L201 HydrophobicContact CG-CD1 4.13Å; E173-L201 WeakPolarHBondContact OE2-CD1 3.34Å; E173-K203 IonicContact OE1-NZ 3.04Å; E173-K203 PolarHBondContact OE1-NZ 3.19Å; E173-K203 IonicContact OE2-NZ 3.39Å; E173-K203 PolarHBondContact OE2-NZ 3.41Å |
| 174 | K | 90.2 | Very high | 85.4 | Confident | 155 Ų | 155 | 60.5 Ų | 60.5 | 67% | 0.674 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.6 | -37.5 | 179.6 | -73.2 | 177.3 | -178.6 | -177.7 | 0 | 112.4 | P170 L171 R178 | P170-K174 WeakPolarHBondContact O-CG 3.33Å; P170-K174 PolarHBondContact O-N 3.06Å; L171-K174 PolarHBondContact O-N 2.76Å; K174-R178 WeakPolarHBondContact O-CB 3.2Å; K174-R178 PolarHBondContact O-N 3.17Å |
| 175 | M | 87.5 | Confident | 85.5 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 178 | -68.2 | -180 | 72.9 | 0 | 0 | 112.1 | N146 V149 I150 L171 A172 E173 E179 | N146-M175 WeakPolarHBondContact OD1-CE 3.4Å; V149-M175 HydrophobicContact CB-CE 4.17Å; V149-M175 HydrophobicContact CG1-CE 3.74Å; V149-M175 HydrophobicContact CG1-SD 4.46Å; I150-M175 HydrophobicContact CD1-CB 3.98Å; I150-M175 HydrophobicContact CG1-CB 3.75Å; I150-M175 HydrophobicContact CG1-CE 3.73Å; I150-M175 HydrophobicContact CG1-SD 4.17Å; L171-M175 HydrophobicContact CG-SD 4.46Å; L171-M175 WeakPolarHBondContact O-CG 3.32Å; L171-M175 PolarHBondContact O-N 2.95Å; L171-M175 VanDerWaalsContact O-N 3.11Å; A172-M175 PolarHBondContact O-N 3.03Å; E173-M175 PolarHBondContact O-N 3.49Å; M175-E179 WeakPolarHBondContact O-CG 3.29Å; M175-E179 PolarHBondContact O-N 2.97Å |
| 176 | L | 88 | Confident | 85.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.7 | -41 | 179.3 | -76.3 | 167.9 | 0 | 0 | 0 | 112.6 | Y147 I150 A172 E173 R178 E179 A180 M185 L193 L194 L197 | Y147-L176 HydrophobicContact CD1-CD2 4.35Å; Y147-L176 HydrophobicContact CE1-CD2 3.97Å; I150-L176 HydrophobicContact CD1-CD2 3.83Å; I150-L176 HydrophobicContact CD1-CG 4.07Å; I150-L176 HydrophobicContact CG2-CD1 3.89Å; I150-L176 HydrophobicContact CG2-CD2 3.91Å; I150-L176 HydrophobicContact CG2-CG 3.68Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.03Å; E173-L176 PolarHBondContact O-N 3.32Å; E173-L176 VanDerWaalsContact O-N 3.13Å; L176-R178 VanDerWaalsContact C-N 3.28Å; L176-R178 PolarHBondContact O-N 3.47Å; L176-E179 PolarHBondContact O-N 3.33Å; L176-E179 VanDerWaalsContact O-N 3.11Å; L176-A180 PolarHBondContact O-N 3.45Å; L176-M185 HydrophobicContact CB-CE 4.26Å; L176-M185 HydrophobicContact CD2-CE 3.91Å; L176-M185 VanDerWaalsContact O-CE 3.25Å; L176-M185 WeakPolarHBondContact O-CE 3.32Å; L176-L193 HydrophobicContact CD1-CD2 4.5Å; L176-L193 HydrophobicContact CD1-CG 4.38Å; L176-L193 HydrophobicContact CD2-CD2 4.36Å; L176-L194 HydrophobicContact CB-CB 4.28Å; L176-L194 HydrophobicContact CB-CD1 3.74Å; L176-L194 HydrophobicContact CB-CD2 4.34Å; L176-L194 HydrophobicContact CB-CG 4.33Å; L176-L194 HydrophobicContact CD1-CB 4.19Å; L176-L194 HydrophobicContact CD1-CD1 4.28Å; L176-L197 HydrophobicContact CD1-CD1 4.03Å |
| 177 | I | 87.9 | Confident | 85.7 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 175.4 | -69.3 | 174.6 | 0 | 0 | 0 | 110 | E173 E179 A180 E181 L194 | E173-I177 HydrophobicContact CG-CD1 3.74Å; E173-I177 HydrophobicContact CG-CG1 4.4Å; E173-I177 WeakPolarHBondContact O-CG1 3.47Å; E173-I177 PolarHBondContact O-N 2.98Å; I177-E179 VanDerWaalsContact C-N 3.29Å; I177-E179 PolarHBondContact O-N 3.39Å; I177-A180 WeakPolarHBondContact O-CB 3.35Å; I177-A180 PolarHBondContact O-N 3.46Å; I177-A180 VanDerWaalsContact O-N 3.16Å; I177-E181 HydrophobicContact CG2-CG 4.18Å; I177-E181 WeakPolarHBondContact O-CB 3.3Å; I177-E181 WeakPolarHBondContact O-CG 3.34Å; I177-E181 PolarHBondContact O-N 3.18Å; I177-L194 HydrophobicContact CG1-CD1 4.28Å |
| 178 | R | 87.4 | Confident | 85.7 | Confident | 133 Ų | 133 | 46.8 Ų | 46.8 | 50% | 0.502 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -38.3 | 175.5 | -174.7 | -175.4 | 67.7 | -166 | -0.9 | 112.5 | K174 L176 S182 | K174-R178 WeakPolarHBondContact O-CB 3.2Å; K174-R178 PolarHBondContact O-N 3.17Å; L176-R178 VanDerWaalsContact C-N 3.28Å; L176-R178 PolarHBondContact O-N 3.47Å; R178-S182 VanDerWaalsContact O-CB 3.23Å; R178-S182 WeakPolarHBondContact O-CB 3.24Å; R178-S182 PolarHBondContact O-N 3.43Å; R178-S182 PolarHBondContact O-OG 2.78Å |
| 179 | E | 85.5 | Confident | 85.5 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.4 | -37.2 | 176 | -69.3 | -62 | 110.2 | 0 | 0 | 112.4 | N146 M175 L176 I177 S182 G183 K184 M185 | N146-E179 WeakPolarHBondContact ND2-CG 3.22Å; N146-E179 PolarHBondContact ND2-OE1 2.69Å; N146-E179 VanDerWaalsContact ND2-OE1 3.08Å; N146-E179 PolarHBondContact ND2-OE2 2.99Å; N146-E179 VanDerWaalsContact ND2-OE2 3.11Å; M175-E179 WeakPolarHBondContact O-CG 3.29Å; M175-E179 PolarHBondContact O-N 2.97Å; L176-E179 PolarHBondContact O-N 3.33Å; L176-E179 VanDerWaalsContact O-N 3.11Å; I177-E179 VanDerWaalsContact C-N 3.29Å; I177-E179 PolarHBondContact O-N 3.39Å; E179-S182 WeakPolarHBondContact CA-OG 3.49Å; E179-S182 PolarHBondContact O-OG 3Å; E179-G183 PolarHBondContact O-N 3.45Å; E179-K184 PolarHBondContact O-N 3.14Å; E179-K184 IonicContact OE1-NZ 3.06Å; E179-K184 WeakPolarHBondContact OE2-CD 3.26Å; E179-M185 HydrophobicContact CB-CE 4.23Å; E179-M185 HydrophobicContact CB-CG 4.38Å |
| 180 | A | 83.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 7% | 0.066 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L176 I177 G183 M185 L194 | L176-A180 PolarHBondContact O-N 3.45Å; I177-A180 WeakPolarHBondContact O-CB 3.35Å; I177-A180 PolarHBondContact O-N 3.46Å; I177-A180 VanDerWaalsContact O-N 3.16Å; A180-G183 PolarHBondContact O-N 3Å; A180-M185 HydrophobicContact CB-CE 3.97Å; A180-M185 HydrophobicContact CB-SD 3.6Å; A180-M185 VanDerWaalsContact CB-SD 3.6Å; A180-L194 HydrophobicContact CB-CD2 4.16Å |
| 181 | E | 83.6 | Confident | 85.2 | Confident | 138 Ų | 138 | 43.8 Ų | 43.8 | 65% | 0.645 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -69.4 | -38.6 | -179.5 | -72 | 178 | 169.9 | 0 | 0 | 113.1 | I177 G183 | I177-E181 HydrophobicContact CG2-CG 4.18Å; I177-E181 WeakPolarHBondContact O-CB 3.3Å; I177-E181 WeakPolarHBondContact O-CG 3.34Å; I177-E181 PolarHBondContact O-N 3.18Å; E181-G183 PolarHBondContact O-N 3.41Å |
| 182 | S | 83.1 | Confident | 85.2 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 43% | 0.427 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -5.7 | 175.1 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | R178 E179 K184 | R178-S182 VanDerWaalsContact O-CB 3.23Å; R178-S182 WeakPolarHBondContact O-CB 3.24Å; R178-S182 PolarHBondContact O-N 3.43Å; R178-S182 PolarHBondContact O-OG 2.78Å; E179-S182 WeakPolarHBondContact CA-OG 3.49Å; E179-S182 PolarHBondContact O-OG 3Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.29Å |
| 183 | G | 77.5 | Confident | 85 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 25% | 0.247 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 22.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E179 A180 E181 | E179-G183 PolarHBondContact O-N 3.45Å; A180-G183 PolarHBondContact O-N 3Å; E181-G183 PolarHBondContact O-N 3.41Å |
| 184 | K | 78.8 | Confident | 85 | Confident | 110 Ų | 110 | 42.3 Ų | 42.3 | 48% | 0.478 | 21% | 0.207 | S | C | . | . | trans | -89.4 | -10.2 | -178.5 | -66.3 | 179.3 | -176.9 | 176.4 | 0 | 114.1 | E179 S182 S186 | E179-K184 PolarHBondContact O-N 3.14Å; E179-K184 IonicContact OE1-NZ 3.06Å; E179-K184 WeakPolarHBondContact OE2-CD 3.26Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.29Å; K184-S186 PolarHBondContact O-N 3.29Å | ||
| 185 | M | 81.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -69.6 | 117.4 | 174 | -77.9 | -178.8 | 174.8 | 0 | 0 | 110.3 | Y147 L176 E179 A180 E190 L194 I220 | Y147-M185 VanDerWaalsContact OH-CG 3.25Å; Y147-M185 WeakPolarHBondContact OH-CG 3.25Å; L176-M185 HydrophobicContact CB-CE 4.26Å; L176-M185 HydrophobicContact CD2-CE 3.91Å; L176-M185 VanDerWaalsContact O-CE 3.25Å; L176-M185 WeakPolarHBondContact O-CE 3.32Å; E179-M185 HydrophobicContact CB-CE 4.23Å; E179-M185 HydrophobicContact CB-CG 4.38Å; A180-M185 HydrophobicContact CB-CE 3.97Å; A180-M185 HydrophobicContact CB-SD 3.6Å; A180-M185 VanDerWaalsContact CB-SD 3.6Å; M185-E190 WeakPolarHBondContact CA-OE2 3.2Å; M185-E190 HydrophobicContact CG-CB 4.39Å; M185-L194 HydrophobicContact CE-CB 4.33Å; M185-L194 HydrophobicContact CE-CD2 3.91Å; M185-I220 HydrophobicContact CB-CD1 4.37Å | ||
| 186 | S | 79.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | trans | -115.1 | -14.7 | -175.2 | 54 | 0 | 0 | 0 | 0 | 113.8 | K184 E190 E223 | K184-S186 PolarHBondContact O-N 3.29Å; S186-E190 PolarHBondContact N-OE2 2.92Å; S186-E223 WeakPolarHBondContact CA-OE2 3.32Å; S186-E223 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 187 | R | 83 | Confident | 84.8 | Confident | 80 Ų | 80 | 37.4 Ų | 37.4 | 30% | 0.302 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -125.3 | 149.7 | -174.7 | -58.9 | -173.5 | -177.2 | 115.2 | -9.1 | 113.3 | S189 E190 L191 I220 H584 | R187-S189 VanDerWaalsContact C-N 3.26Å; R187-S189 PolarHBondContact O-N 2.84Å; R187-E190 HydrophobicContact CB-CG 4.13Å; R187-E190 PolarHBondContact N-OE2 2.99Å; R187-E190 IonicContact NH1-OE1 3.28Å; R187-E190 WeakPolarHBondContact O-CB 2.92Å; R187-E190 PolarHBondContact O-N 2.96Å; R187-E190 VanDerWaalsContact O-N 3.13Å; R187-L191 PolarHBondContact O-N 3.43Å; R187-I220 VanDerWaalsContact C-CG2 3.42Å; R187-H584 PolarHBondContact NH1-CD2 3.32Å; R187-H584 PolarHBondContact NH2-CD2 3.31Å; R187-H584 PolarHBondContact NH2-NE2 3.34Å |
| 188 | H | 84.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -30.7 | 176.6 | -70.2 | -71 | 0 | 0 | 0 | 112.9 | E190 L191 Q192 I220 D221 D224 Y225 C227 Y229 | H188-E190 PolarHBondContact O-N 3.01Å; H188-L191 PolarHBondContact O-N 3.21Å; H188-Q192 WeakPolarHBondContact O-CB 3.41Å; H188-Q192 VanDerWaalsContact O-CG 3.22Å; H188-Q192 WeakPolarHBondContact O-CG 3.39Å; H188-Q192 PolarHBondContact O-N 3.28Å; H188-I220 HydrophobicContact CB-CG2 4.5Å; H188-I220 VanDerWaalsContact CE1-CG2 3.4Å; H188-I220 WeakPolarHBondContact CE1-CG2 3.47Å; H188-I220 WeakPolarHBondContact NE2-CG2 3.23Å; H188-D221 IonicContact CE1-OD1 3.96Å; H188-D221 PolarHBondContact CE1-OD1 2.99Å; H188-D221 IonicContact NE2-OD1 3Å; H188-D221 PolarHBondContact NE2-OD1 3.49Å; H188-D224 IonicContact CD2-OD2 3.34Å; H188-D224 PolarHBondContact CD2-OD2 2.86Å; H188-D224 PolarHBondContact N-OD2 3.08Å; H188-D224 VanDerWaalsContact N-OD2 3.15Å; H188-Y225 HydrophobicContact CB-CE1 4.45Å; H188-Y225 AromaticContact CD2-CE1 3.92Å; H188-Y225 PolarHBondContact CD2-O 3.46Å; H188-Y225 PolarHBondContact NE2-O 2.72Å; H188-C227 HydrophobicContact CB-CB 4.43Å; H188-Y229 WeakPolarHBondContact CB-OH 3.39Å; H188-Y229 AromaticContact ND1-CE2 3.7Å; H188-Y229 AromaticContact ND1-CZ 3.56Å; H188-Y229 PolarHBondContact ND1-OH 3.4Å |
| 189 | S | 83.4 | Confident | 84.9 | Confident | 18 Ų | 18 | 30.4 Ų | 30.4 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -29.8 | 176.3 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | R187 L193 H584 | R187-S189 VanDerWaalsContact C-N 3.26Å; R187-S189 PolarHBondContact O-N 2.84Å; S189-L193 WeakPolarHBondContact O-CB 3.07Å; S189-L193 PolarHBondContact O-N 2.68Å; S189-H584 PolarHBondContact OG-O 3.06Å; S189-H584 VanDerWaalsContact OG-O 3.09Å |
| 190 | E | 86.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.5 | -41.6 | 178.5 | -61.1 | 167.4 | -179.5 | 0 | 0 | 111 | Y147 M185 S186 R187 H188 L193 L194 Y586 | Y147-E190 HydrophobicContact CD1-CG 4.32Å; Y147-E190 HydrophobicContact CD2-CG 4.5Å; Y147-E190 HydrophobicContact CE1-CB 3.86Å; Y147-E190 HydrophobicContact CE1-CG 3.74Å; Y147-E190 HydrophobicContact CE2-CG 3.91Å; Y147-E190 VanDerWaalsContact CE2-OE1 3.3Å; Y147-E190 WeakPolarHBondContact CE2-OE1 3.47Å; Y147-E190 VanDerWaalsContact CZ-CG 3.5Å; Y147-E190 VanDerWaalsContact CZ-OE2 3.3Å; Y147-E190 WeakPolarHBondContact OH-CB 3.43Å; Y147-E190 PolarHBondContact OH-OE2 2.82Å; M185-E190 WeakPolarHBondContact CA-OE2 3.2Å; M185-E190 HydrophobicContact CG-CB 4.39Å; S186-E190 PolarHBondContact N-OE2 2.92Å; R187-E190 HydrophobicContact CB-CG 4.13Å; R187-E190 PolarHBondContact N-OE2 2.99Å; R187-E190 IonicContact NH1-OE1 3.28Å; R187-E190 WeakPolarHBondContact O-CB 2.92Å; R187-E190 PolarHBondContact O-N 2.96Å; R187-E190 VanDerWaalsContact O-N 3.13Å; H188-E190 PolarHBondContact O-N 3.01Å; E190-L193 WeakPolarHBondContact O-CB 3.4Å; E190-L193 PolarHBondContact O-N 3.25Å; E190-L194 PolarHBondContact O-N 3.4Å; E190-Y586 HydrophobicContact CG-CD2 4.26Å; E190-Y586 HydrophobicContact CG-CE2 4.32Å |
| 191 | L | 86.7 | Confident | 85 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.3 | -43.5 | 173.6 | 178.5 | 58.2 | 0 | 0 | 0 | 111.5 | R187 H188 L193 L194 I195 L210 T217 I220 Y229 | R187-L191 PolarHBondContact O-N 3.43Å; H188-L191 PolarHBondContact O-N 3.21Å; L191-L193 VanDerWaalsContact C-N 3.3Å; L191-L193 PolarHBondContact O-N 3.15Å; L191-L194 PolarHBondContact O-N 2.69Å; L191-I195 HydrophobicContact CD1-CD1 4.06Å; L191-I195 HydrophobicContact CD1-CG1 4.37Å; L191-I195 HydrophobicContact CG-CD1 3.83Å; L191-I195 WeakPolarHBondContact O-CD1 3.4Å; L191-I195 WeakPolarHBondContact O-CG1 3.48Å; L191-I195 PolarHBondContact O-N 3.27Å; L191-L210 HydrophobicContact CD1-CD2 3.62Å; L191-L210 HydrophobicContact CD1-CG 4Å; L191-T217 HydrophobicContact CD2-CG2 4.34Å; L191-I220 HydrophobicContact CB-CD1 3.91Å; L191-I220 HydrophobicContact CD2-CD1 3.92Å; L191-I220 HydrophobicContact CG-CD1 4.45Å; L191-Y229 HydrophobicContact CD2-CE2 4.36Å |
| 192 | Q | 88.5 | Confident | 85 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 175.3 | -73.5 | 173.9 | -5.4 | 0 | 0 | 111.4 | H188 L194 I195 E196 Y229 M232 T587 | H188-Q192 WeakPolarHBondContact O-CB 3.41Å; H188-Q192 VanDerWaalsContact O-CG 3.22Å; H188-Q192 WeakPolarHBondContact O-CG 3.39Å; H188-Q192 PolarHBondContact O-N 3.28Å; Q192-L194 VanDerWaalsContact C-N 3.33Å; Q192-L194 PolarHBondContact O-N 3.3Å; Q192-I195 PolarHBondContact O-N 2.9Å; Q192-E196 WeakPolarHBondContact O-CB 3.48Å; Q192-E196 WeakPolarHBondContact O-CG 3.29Å; Q192-E196 PolarHBondContact O-N 2.83Å; Q192-Y229 HydrophobicContact CG-CE1 3.86Å; Q192-M232 HydrophobicContact CB-CE 4.38Å; Q192-M232 HydrophobicContact CG-CE 4.03Å; Q192-T587 HydrophobicContact CB-CG2 3.74Å |
| 193 | L | 87.5 | Confident | 85.4 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.3 | -177.6 | 68.3 | 0 | 0 | 0 | 112.3 | M151 I154 L176 S189 E190 L191 L197 | M151-L193 HydrophobicContact CE-CD1 3.63Å; M151-L193 HydrophobicContact CE-CD2 3.98Å; M151-L193 HydrophobicContact CE-CG 4.47Å; I154-L193 HydrophobicContact CD1-CD1 3.84Å; I154-L193 HydrophobicContact CD1-CD2 4.17Å; I154-L193 HydrophobicContact CD1-CG 4.08Å; L176-L193 HydrophobicContact CD1-CD2 4.5Å; L176-L193 HydrophobicContact CD1-CG 4.38Å; L176-L193 HydrophobicContact CD2-CD2 4.36Å; S189-L193 WeakPolarHBondContact O-CB 3.07Å; S189-L193 PolarHBondContact O-N 2.68Å; E190-L193 WeakPolarHBondContact O-CB 3.4Å; E190-L193 PolarHBondContact O-N 3.25Å; L191-L193 VanDerWaalsContact C-N 3.3Å; L191-L193 PolarHBondContact O-N 3.15Å; L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 3.22Å |
| 194 | L | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 176 | 173.2 | 53.9 | 0 | 0 | 0 | 111.6 | L176 I177 A180 M185 E190 L191 Q192 L197 L198 L210 | L176-L194 HydrophobicContact CB-CB 4.28Å; L176-L194 HydrophobicContact CB-CD1 3.74Å; L176-L194 HydrophobicContact CB-CD2 4.34Å; L176-L194 HydrophobicContact CB-CG 4.33Å; L176-L194 HydrophobicContact CD1-CB 4.19Å; L176-L194 HydrophobicContact CD1-CD1 4.28Å; I177-L194 HydrophobicContact CG1-CD1 4.28Å; A180-L194 HydrophobicContact CB-CD2 4.16Å; M185-L194 HydrophobicContact CE-CB 4.33Å; M185-L194 HydrophobicContact CE-CD2 3.91Å; E190-L194 PolarHBondContact O-N 3.4Å; L191-L194 PolarHBondContact O-N 2.69Å; Q192-L194 VanDerWaalsContact C-N 3.33Å; Q192-L194 PolarHBondContact O-N 3.3Å; L194-L197 PolarHBondContact O-N 2.96Å; L194-L198 HydrophobicContact CD1-CD1 3.94Å; L194-L198 HydrophobicContact CD1-CG 3.94Å; L194-L198 HydrophobicContact CG-CD1 4.16Å; L194-L198 WeakPolarHBondContact O-CG 3.25Å; L194-L198 PolarHBondContact O-N 3.32Å; L194-L210 HydrophobicContact CD2-CD2 3.41Å; L194-L210 VanDerWaalsContact CD2-CD2 3.41Å; L194-L210 HydrophobicContact CG-CD2 3.69Å |
| 195 | I | 87.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 179.2 | -65.4 | 157.9 | 0 | 0 | 0 | 111.2 | L191 Q192 L197 L198 A199 A207 L210 L211 M232 L236 | L191-I195 HydrophobicContact CD1-CD1 4.06Å; L191-I195 HydrophobicContact CD1-CG1 4.37Å; L191-I195 HydrophobicContact CG-CD1 3.83Å; L191-I195 WeakPolarHBondContact O-CD1 3.4Å; L191-I195 WeakPolarHBondContact O-CG1 3.48Å; L191-I195 PolarHBondContact O-N 3.27Å; Q192-I195 PolarHBondContact O-N 2.9Å; I195-L197 VanDerWaalsContact C-N 3.27Å; I195-L197 PolarHBondContact O-N 3.36Å; I195-L198 PolarHBondContact O-N 3.08Å; I195-A199 WeakPolarHBondContact O-CB 3.35Å; I195-A199 PolarHBondContact O-N 3.42Å; I195-A207 HydrophobicContact CG2-CB 4.29Å; I195-L210 HydrophobicContact CG1-CD2 4.3Å; I195-L211 HydrophobicContact CD1-CD1 3.95Å; I195-L211 HydrophobicContact CD1-CD2 3.35Å; I195-L211 HydrophobicContact CD1-CG 3.54Å; I195-L211 HydrophobicContact CG1-CG 4.25Å; I195-M232 HydrophobicContact CB-SD 3.88Å; I195-M232 HydrophobicContact CD1-SD 3.67Å; I195-M232 HydrophobicContact CG1-SD 4.37Å; I195-M232 HydrophobicContact CG2-CG 3.93Å; I195-M232 HydrophobicContact CG2-SD 3.39Å; I195-M232 WeakPolarHBondContact CG2-SD 3.48Å; I195-L236 HydrophobicContact CG2-CD1 3.96Å; I195-L236 HydrophobicContact CG2-CD2 4.49Å |
| 196 | E | 87.1 | Confident | 86.6 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 174.8 | -74.2 | 174.6 | -164.8 | 0 | 0 | 111.5 | Q192 R200 | Q192-E196 WeakPolarHBondContact O-CB 3.48Å; Q192-E196 WeakPolarHBondContact O-CG 3.29Å; Q192-E196 PolarHBondContact O-N 2.83Å; E196-R200 WeakPolarHBondContact O-CD 3.44Å; E196-R200 WeakPolarHBondContact O-CG 3.31Å; E196-R200 PolarHBondContact O-N 3.42Å |
| 197 | L | 87.8 | Confident | 87 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 177 | -171.8 | 146.2 | 0 | 0 | 0 | 112.3 | I154 L169 A172 E173 L176 L193 L194 I195 R200 L201 | I154-L197 HydrophobicContact CD1-CD1 3.7Å; I154-L197 HydrophobicContact CG1-CD1 3.76Å; L169-L197 HydrophobicContact CD2-CD1 4.36Å; L169-L197 HydrophobicContact CD2-CG 4.48Å; A172-L197 HydrophobicContact CB-CD1 3.57Å; E173-L197 HydrophobicContact CB-CD2 3.64Å; E173-L197 HydrophobicContact CG-CD2 4.12Å; L176-L197 HydrophobicContact CD1-CD1 4.03Å; L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 3.22Å; L194-L197 PolarHBondContact O-N 2.96Å; I195-L197 VanDerWaalsContact C-N 3.27Å; I195-L197 PolarHBondContact O-N 3.36Å; L197-R200 WeakPolarHBondContact O-CB 3.42Å; L197-R200 PolarHBondContact O-N 3.09Å; L197-L201 HydrophobicContact CD2-CD1 3.74Å; L197-L201 HydrophobicContact CD2-CG 4.43Å; L197-L201 PolarHBondContact O-N 3.22Å |
| 198 | L | 88.7 | Confident | 87.2 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 176.2 | -72.3 | 171.6 | 0 | 0 | 0 | 111.5 | E173 L194 I195 R200 L201 Q202 K203 E206 A207 L210 | E173-L198 HydrophobicContact CG-CD2 4.01Å; L194-L198 HydrophobicContact CD1-CD1 3.94Å; L194-L198 HydrophobicContact CD1-CG 3.94Å; L194-L198 HydrophobicContact CG-CD1 4.16Å; L194-L198 WeakPolarHBondContact O-CG 3.25Å; L194-L198 PolarHBondContact O-N 3.32Å; I195-L198 PolarHBondContact O-N 3.08Å; L198-R200 PolarHBondContact O-N 3.15Å; L198-L201 CarbonylContact O-C 3.55Å; L198-L201 PolarHBondContact O-N 2.81Å; L198-L201 VanDerWaalsContact O-N 3.12Å; L198-Q202 PolarHBondContact O-N 3.43Å; L198-K203 HydrophobicContact CB-CB 4.49Å; L198-K203 HydrophobicContact CD2-CB 4.14Å; L198-K203 HydrophobicContact CD2-CD 4.13Å; L198-K203 PolarHBondContact O-N 3.43Å; L198-E206 HydrophobicContact CD1-CB 4.46Å; L198-A207 HydrophobicContact CB-CB 3.86Å; L198-A207 HydrophobicContact CD1-CB 4.09Å; L198-L210 HydrophobicContact CD1-CD2 4.36Å |
| 199 | A | 87.4 | Confident | 87.4 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -36.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | I195 Q202 Y204 L236 | I195-A199 WeakPolarHBondContact O-CB 3.35Å; I195-A199 PolarHBondContact O-N 3.42Å; A199-Q202 PolarHBondContact O-N 3.11Å; A199-Y204 HydrophobicContact CB-CD1 4.26Å; A199-Y204 HydrophobicContact CB-CE1 4.05Å; A199-Y204 VanDerWaalsContact O-CE1 3.28Å; A199-Y204 WeakPolarHBondContact O-CE1 3.39Å; A199-Y204 PolarHBondContact O-OH 3.06Å; A199-L236 HydrophobicContact CB-CD2 4.28Å |
| 200 | R | 83.8 | Confident | 87.5 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 21% | 0.211 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.6 | -31.1 | 174.8 | -71.8 | 168.4 | 56.7 | 166.1 | 10.6 | 114 | E158 E196 L197 L198 Q202 | E158-R200 IonicContact OE1-CZ 2.95Å; E158-R200 IonicContact OE1-NH1 3.2Å; E158-R200 PolarHBondContact OE1-NH1 3.32Å; E158-R200 IonicContact OE1-NH2 2.76Å; E158-R200 PolarHBondContact OE1-NH2 3.37Å; E196-R200 WeakPolarHBondContact O-CD 3.44Å; E196-R200 WeakPolarHBondContact O-CG 3.31Å; E196-R200 PolarHBondContact O-N 3.42Å; L197-R200 WeakPolarHBondContact O-CB 3.42Å; L197-R200 PolarHBondContact O-N 3.09Å; L198-R200 PolarHBondContact O-N 3.15Å; R200-Q202 PolarHBondContact O-N 3Å |
| 201 | L | 87.5 | Confident | 87.4 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 5.8 | 171.9 | -71.9 | 176.2 | 0 | 0 | 0 | 112.7 | L169 P170 E173 L197 L198 K203 | L169-L201 HydrophobicContact CB-CD1 4.37Å; L169-L201 HydrophobicContact CB-CD2 3.65Å; L169-L201 HydrophobicContact CB-CG 4.13Å; L169-L201 HydrophobicContact CD1-CD2 4.2Å; P170-L201 HydrophobicContact CG-CD2 4.47Å; E173-L201 HydrophobicContact CB-CD1 3.99Å; E173-L201 HydrophobicContact CG-CD1 4.13Å; E173-L201 WeakPolarHBondContact OE2-CD1 3.34Å; L197-L201 HydrophobicContact CD2-CD1 3.74Å; L197-L201 HydrophobicContact CD2-CG 4.43Å; L197-L201 PolarHBondContact O-N 3.22Å; L198-L201 CarbonylContact O-C 3.55Å; L198-L201 PolarHBondContact O-N 2.81Å; L198-L201 VanDerWaalsContact O-N 3.12Å; L201-K203 HydrophobicContact CB-CD 4.37Å; L201-K203 HydrophobicContact CB-CG 4.08Å; L201-K203 PolarHBondContact O-N 3.2Å |
| 202 | Q | 85.3 | Confident | 87.1 | Confident | 150 Ų | 150 | 46.7 Ų | 46.7 | 70% | 0.701 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 21.7 | -175.3 | -56.4 | 179.7 | -11.4 | 0 | 0 | 113.5 | L198 A199 R200 Y204 | L198-Q202 PolarHBondContact O-N 3.43Å; A199-Q202 PolarHBondContact O-N 3.11Å; R200-Q202 PolarHBondContact O-N 3Å; Q202-Y204 VanDerWaalsContact C-N 3.29Å; Q202-Y204 HydrophobicContact CB-CE2 3.92Å; Q202-Y204 HydrophobicContact CG-CE2 4.36Å; Q202-Y204 WeakPolarHBondContact O-CD2 3.28Å; Q202-Y204 PolarHBondContact O-N 3.32Å |
| 203 | K | 89.9 | Confident | 86.8 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 30% | 0.3 | 24% | 0.24 | S | C | . | . | trans | -92.3 | 56.3 | 177.8 | -63.1 | -172.1 | 176.8 | -172.2 | 0 | 111.2 | E173 L198 L201 E205 E206 A207 | E173-K203 IonicContact OE1-NZ 3.04Å; E173-K203 PolarHBondContact OE1-NZ 3.19Å; E173-K203 IonicContact OE2-NZ 3.39Å; E173-K203 PolarHBondContact OE2-NZ 3.41Å; L198-K203 HydrophobicContact CB-CB 4.49Å; L198-K203 HydrophobicContact CD2-CB 4.14Å; L198-K203 HydrophobicContact CD2-CD 4.13Å; L198-K203 PolarHBondContact O-N 3.43Å; L201-K203 HydrophobicContact CB-CD 4.37Å; L201-K203 HydrophobicContact CB-CG 4.08Å; L201-K203 PolarHBondContact O-N 3.2Å; K203-E205 VanDerWaalsContact C-N 3.29Å; K203-E205 PolarHBondContact O-N 3.4Å; K203-E206 HydrophobicContact CB-CB 4.43Å; K203-E206 WeakPolarHBondContact CD-OE2 3.44Å; K203-E206 IonicContact NZ-OE2 3.36Å; K203-E206 PolarHBondContact O-N 2.86Å; K203-A207 PolarHBondContact O-N 3.13Å | ||
| 204 | Y | 89.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -31.7 | -172.8 | -53.3 | -70.4 | 0 | 0 | 0 | 113.2 | A199 Q202 A207 Y208 L236 H239 | A199-Y204 HydrophobicContact CB-CD1 4.26Å; A199-Y204 HydrophobicContact CB-CE1 4.05Å; A199-Y204 VanDerWaalsContact O-CE1 3.28Å; A199-Y204 WeakPolarHBondContact O-CE1 3.39Å; A199-Y204 PolarHBondContact O-OH 3.06Å; Q202-Y204 VanDerWaalsContact C-N 3.29Å; Q202-Y204 HydrophobicContact CB-CE2 3.92Å; Q202-Y204 HydrophobicContact CG-CE2 4.36Å; Q202-Y204 WeakPolarHBondContact O-CD2 3.28Å; Q202-Y204 PolarHBondContact O-N 3.32Å; Y204-A207 PolarHBondContact O-N 3.48Å; Y204-Y208 WeakPolarHBondContact O-CB 3.38Å; Y204-Y208 PolarHBondContact O-N 3.32Å; Y204-L236 HydrophobicContact CD1-CD2 4Å; Y204-H239 HydrophobicContact CD1-CB 3.76Å; Y204-H239 HydrophobicContact CD2-CB 3.9Å; Y204-H239 HydrophobicContact CE1-CB 3.81Å; Y204-H239 AromaticContact CE1-CD2 3.87Å; Y204-H239 AromaticContact CE1-CG 3.81Å; Y204-H239 HydrophobicContact CE2-CB 3.95Å; Y204-H239 HydrophobicContact CG-CB 3.81Å; Y204-H239 AromaticContact CZ-CD2 3.74Å; Y204-H239 AromaticContact CZ-CG 3.99Å |
| 205 | E | 87.2 | Confident | 86 | Confident | 106 Ų | 106 | 60.9 Ų | 60.9 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.4 | -41.5 | -178.6 | -167.3 | -172.8 | 161.3 | 0 | 0 | 111.2 | K203 Y208 K209 L240 | K203-E205 VanDerWaalsContact C-N 3.29Å; K203-E205 PolarHBondContact O-N 3.4Å; E205-Y208 PolarHBondContact O-N 2.95Å; E205-K209 WeakPolarHBondContact O-CB 3.33Å; E205-K209 WeakPolarHBondContact O-CG 3.03Å; E205-K209 PolarHBondContact O-N 3.06Å; E205-K209 WeakPolarHBondContact OE1-CE 3.2Å; E205-K209 IonicContact OE1-NZ 3.61Å; E205-K209 PolarHBondContact OE1-NZ 3.25Å; E205-L240 HydrophobicContact CB-CD2 4.01Å |
| 206 | E | 87.4 | Confident | 85.7 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 175.2 | -65.4 | -179.3 | -169.8 | 0 | 0 | 110.9 | L198 K203 Y208 K209 L210 | L198-E206 HydrophobicContact CD1-CB 4.46Å; K203-E206 HydrophobicContact CB-CB 4.43Å; K203-E206 WeakPolarHBondContact CD-OE2 3.44Å; K203-E206 IonicContact NZ-OE2 3.36Å; K203-E206 PolarHBondContact O-N 2.86Å; E206-Y208 VanDerWaalsContact C-N 3.34Å; E206-Y208 PolarHBondContact O-N 2.83Å; E206-K209 PolarHBondContact O-N 3.49Å; E206-L210 WeakPolarHBondContact O-CB 3.39Å; E206-L210 PolarHBondContact O-N 2.67Å |
| 207 | A | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I195 L198 K203 Y204 L210 L211 L236 | I195-A207 HydrophobicContact CG2-CB 4.29Å; L198-A207 HydrophobicContact CB-CB 3.86Å; L198-A207 HydrophobicContact CD1-CB 4.09Å; K203-A207 PolarHBondContact O-N 3.13Å; Y204-A207 PolarHBondContact O-N 3.48Å; A207-L210 PolarHBondContact O-N 2.78Å; A207-L211 PolarHBondContact O-N 2.87Å; A207-L211 VanDerWaalsContact O-N 3.17Å; A207-L236 HydrophobicContact CB-CD1 3.96Å; A207-L236 HydrophobicContact CB-CD2 3.87Å |
| 208 | Y | 87.7 | Confident | 85.1 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 177.4 | -177.9 | -106.6 | 0 | 0 | 0 | 112 | Y204 E205 E206 L210 L211 G212 L237 | Y204-Y208 WeakPolarHBondContact O-CB 3.38Å; Y204-Y208 PolarHBondContact O-N 3.32Å; E205-Y208 PolarHBondContact O-N 2.95Å; E206-Y208 VanDerWaalsContact C-N 3.34Å; E206-Y208 PolarHBondContact O-N 2.83Å; Y208-L210 VanDerWaalsContact C-N 3.27Å; Y208-L210 PolarHBondContact O-N 3.43Å; Y208-L211 PolarHBondContact O-N 3.34Å; Y208-G212 PolarHBondContact O-N 3.17Å; Y208-G212 VanDerWaalsContact O-N 3.11Å; Y208-L237 HydrophobicContact CD2-CD2 3.95Å; Y208-L237 HydrophobicContact CD2-CG 4.03Å; Y208-L237 HydrophobicContact CE1-CD2 4.17Å; Y208-L237 HydrophobicContact CE2-CD1 3.86Å; Y208-L237 HydrophobicContact CE2-CD2 3.59Å; Y208-L237 HydrophobicContact CE2-CG 3.7Å; Y208-L237 HydrophobicContact CG-CD2 4.39Å |
| 209 | K | 87.8 | Confident | 84.8 | Confident | 122 Ų | 122 | 65.3 Ų | 65.3 | 53% | 0.53 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 174.8 | -75.8 | 175.3 | -175.2 | 167.5 | 0 | 111.8 | E205 E206 L211 G212 R213 | E205-K209 WeakPolarHBondContact O-CB 3.33Å; E205-K209 WeakPolarHBondContact O-CG 3.03Å; E205-K209 PolarHBondContact O-N 3.06Å; E205-K209 WeakPolarHBondContact OE1-CE 3.2Å; E205-K209 IonicContact OE1-NZ 3.61Å; E205-K209 PolarHBondContact OE1-NZ 3.25Å; E206-K209 PolarHBondContact O-N 3.49Å; K209-L211 PolarHBondContact O-N 3.41Å; K209-G212 PolarHBondContact O-N 2.91Å; K209-G212 VanDerWaalsContact O-N 3.1Å; K209-R213 PolarHBondContact O-N 3.18Å |
| 210 | L | 85.4 | Confident | 84.6 | Confident | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.4 | -171 | 73.5 | 0 | 0 | 0 | 112 | L191 L194 I195 L198 E206 A207 Y208 G212 R213 I216 | L191-L210 HydrophobicContact CD1-CD2 3.62Å; L191-L210 HydrophobicContact CD1-CG 4Å; L194-L210 HydrophobicContact CD2-CD2 3.41Å; L194-L210 VanDerWaalsContact CD2-CD2 3.41Å; L194-L210 HydrophobicContact CG-CD2 3.69Å; I195-L210 HydrophobicContact CG1-CD2 4.3Å; L198-L210 HydrophobicContact CD1-CD2 4.36Å; E206-L210 WeakPolarHBondContact O-CB 3.39Å; E206-L210 PolarHBondContact O-N 2.67Å; A207-L210 PolarHBondContact O-N 2.78Å; Y208-L210 VanDerWaalsContact C-N 3.27Å; Y208-L210 PolarHBondContact O-N 3.43Å; L210-G212 PolarHBondContact O-N 2.9Å; L210-R213 WeakPolarHBondContact O-CB 3.49Å; L210-R213 PolarHBondContact O-N 3.39Å; L210-I216 HydrophobicContact CD1-CD1 3.74Å |
| 211 | L | 84.7 | Confident | 84.6 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.8 | -17.6 | 174 | -80.1 | 174.5 | 0 | 0 | 0 | 114.2 | I195 A207 Y208 K209 Y229 M232 K233 L236 | I195-L211 HydrophobicContact CD1-CD1 3.95Å; I195-L211 HydrophobicContact CD1-CD2 3.35Å; I195-L211 HydrophobicContact CD1-CG 3.54Å; I195-L211 HydrophobicContact CG1-CG 4.25Å; A207-L211 PolarHBondContact O-N 2.87Å; A207-L211 VanDerWaalsContact O-N 3.17Å; Y208-L211 PolarHBondContact O-N 3.34Å; K209-L211 PolarHBondContact O-N 3.41Å; L211-Y229 HydrophobicContact CD2-CD1 3.64Å; L211-Y229 HydrophobicContact CD2-CD2 4.08Å; L211-Y229 HydrophobicContact CD2-CE1 4.1Å; L211-Y229 HydrophobicContact CD2-CE2 4.49Å; L211-Y229 HydrophobicContact CD2-CG 3.61Å; L211-M232 HydrophobicContact CD1-CG 4.24Å; L211-M232 HydrophobicContact CD1-SD 4.37Å; L211-K233 HydrophobicContact CB-CG 4.44Å; L211-K233 HydrophobicContact CD1-CG 3.85Å; L211-L236 HydrophobicContact CD1-CD1 3.59Å |
| 212 | G | 81.6 | Confident | 84.3 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -85.5 | -13.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y208 K209 L210 K214 | Y208-G212 PolarHBondContact O-N 3.17Å; Y208-G212 VanDerWaalsContact O-N 3.11Å; K209-G212 PolarHBondContact O-N 2.91Å; K209-G212 VanDerWaalsContact O-N 3.1Å; L210-G212 PolarHBondContact O-N 2.9Å; G212-K214 PolarHBondContact O-N 3.46Å |
| 213 | R | 82.1 | Confident | 84.1 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | trans | -76.2 | 92.6 | 179.8 | -82.2 | -169.6 | 71.2 | 173.1 | 4.4 | 111.3 | K209 L210 D215 I216 T217 | K209-R213 PolarHBondContact O-N 3.18Å; L210-R213 WeakPolarHBondContact O-CB 3.49Å; L210-R213 PolarHBondContact O-N 3.39Å; R213-D215 VanDerWaalsContact CB-OD1 3.25Å; R213-D215 WeakPolarHBondContact CB-OD1 3.4Å; R213-D215 IonicContact CZ-OD1 2.81Å; R213-D215 IonicContact CZ-OD2 3.5Å; R213-D215 VanDerWaalsContact CZ-OD2 3.31Å; R213-D215 IonicContact NE-OD1 3.12Å; R213-D215 PolarHBondContact NE-OD1 3.27Å; R213-D215 IonicContact NE-OD2 3.86Å; R213-D215 PolarHBondContact NE-OD2 3.04Å; R213-D215 IonicContact NH2-OD1 3.83Å; R213-D215 IonicContact NH2-OD2 2.65Å; R213-D215 PolarHBondContact NH2-OD2 2.84Å; R213-D215 PolarHBondContact O-N 3.23Å; R213-I216 HydrophobicContact CB-CB 4.41Å; R213-I216 HydrophobicContact CB-CD1 4.1Å; R213-I216 HydrophobicContact CB-CG1 4.21Å; R213-I216 PolarHBondContact O-N 2.92Å; R213-T217 PolarHBondContact O-N 3.39Å; R213-T217 PolarHBondContact O-OG1 2.88Å | ||
| 214 | K | 79.7 | Confident | 83.6 | Confident | 154 Ų | 154 | 65.3 Ų | 65.3 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.4 | -32.6 | 175.7 | -67 | -167.6 | 178 | -172.3 | 0 | 113.4 | G212 I216 T217 D218 | G212-K214 PolarHBondContact O-N 3.46Å; K214-I216 PolarHBondContact O-N 3.33Å; K214-T217 WeakPolarHBondContact CA-OG1 3.45Å; K214-D218 WeakPolarHBondContact O-CB 3.42Å; K214-D218 PolarHBondContact O-N 3.46Å |
| 215 | D | 80.3 | Confident | 83.4 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -27.9 | 177.1 | 63.8 | -63.5 | 0 | 0 | 0 | 113.4 | R213 R219 | R213-D215 VanDerWaalsContact CB-OD1 3.25Å; R213-D215 WeakPolarHBondContact CB-OD1 3.4Å; R213-D215 IonicContact CZ-OD1 2.81Å; R213-D215 IonicContact CZ-OD2 3.5Å; R213-D215 VanDerWaalsContact CZ-OD2 3.31Å; R213-D215 IonicContact NE-OD1 3.12Å; R213-D215 PolarHBondContact NE-OD1 3.27Å; R213-D215 IonicContact NE-OD2 3.86Å; R213-D215 PolarHBondContact NE-OD2 3.04Å; R213-D215 IonicContact NH2-OD1 3.83Å; R213-D215 IonicContact NH2-OD2 2.65Å; R213-D215 PolarHBondContact NH2-OD2 2.84Å; R213-D215 PolarHBondContact O-N 3.23Å; D215-R219 WeakPolarHBondContact O-CB 3.39Å |
| 216 | I | 80.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -90.7 | -50 | 176.3 | -59.1 | 176.1 | 0 | 0 | 0 | 110 | L210 R213 K214 R219 I220 | L210-I216 HydrophobicContact CD1-CD1 3.74Å; R213-I216 HydrophobicContact CB-CB 4.41Å; R213-I216 HydrophobicContact CB-CD1 4.1Å; R213-I216 HydrophobicContact CB-CG1 4.21Å; R213-I216 PolarHBondContact O-N 2.92Å; K214-I216 PolarHBondContact O-N 3.33Å; I216-R219 PolarHBondContact O-N 3.29Å; I216-I220 HydrophobicContact CG2-CD1 3.82Å; I216-I220 VanDerWaalsContact O-CG1 3.3Å; I216-I220 WeakPolarHBondContact O-CG1 3.42Å; I216-I220 PolarHBondContact O-N 3.45Å; I216-I220 VanDerWaalsContact O-N 3.09Å |
| 217 | T | 82.2 | Confident | 82.8 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -48.2 | -175.2 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | L191 R213 K214 R219 I220 D221 | L191-T217 HydrophobicContact CD2-CG2 4.34Å; R213-T217 PolarHBondContact O-N 3.39Å; R213-T217 PolarHBondContact O-OG1 2.88Å; K214-T217 WeakPolarHBondContact CA-OG1 3.45Å; T217-R219 VanDerWaalsContact C-N 3.25Å; T217-R219 PolarHBondContact O-N 3.49Å; T217-I220 PolarHBondContact O-N 3.38Å; T217-I220 VanDerWaalsContact O-N 3.15Å; T217-D221 WeakPolarHBondContact O-CB 3.39Å; T217-D221 VanDerWaalsContact O-CG 3.3Å; T217-D221 PolarHBondContact O-N 3.08Å |
| 218 | D | 81.7 | Confident | 82.5 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.7 | -32.8 | -176.1 | -57.4 | -1.1 | 0 | 0 | 0 | 110.4 | K214 T222 | K214-D218 WeakPolarHBondContact O-CB 3.42Å; K214-D218 PolarHBondContact O-N 3.46Å; D218-T222 VanDerWaalsContact O-CG2 3.31Å; D218-T222 WeakPolarHBondContact O-CG2 3.22Å; D218-T222 PolarHBondContact O-N 2.96Å; D218-T222 PolarHBondContact O-OG1 3.31Å |
| 219 | R | 81.8 | Confident | 82.4 | Confident | 70 Ų | 70 | 70 Ų | 70 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 173.8 | -175.4 | -179.1 | 64.2 | -149.3 | -10.1 | 111.5 | D215 I216 T217 D221 T222 E223 | D215-R219 WeakPolarHBondContact O-CB 3.39Å; I216-R219 PolarHBondContact O-N 3.29Å; T217-R219 VanDerWaalsContact C-N 3.25Å; T217-R219 PolarHBondContact O-N 3.49Å; R219-D221 VanDerWaalsContact C-N 3.33Å; R219-T222 WeakPolarHBondContact CA-OG1 3.43Å; R219-T222 PolarHBondContact O-N 2.87Å; R219-T222 PolarHBondContact O-OG1 2.88Å; R219-E223 PolarHBondContact O-N 3.49Å; R219-E223 VanDerWaalsContact O-N 3.12Å |
| 220 | I | 83 | Confident | 82.2 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 179.2 | -59.6 | 169.9 | 0 | 0 | 0 | 110 | M185 R187 H188 L191 I216 T217 T222 E223 D224 | M185-I220 HydrophobicContact CB-CD1 4.37Å; R187-I220 VanDerWaalsContact C-CG2 3.42Å; H188-I220 HydrophobicContact CB-CG2 4.5Å; H188-I220 VanDerWaalsContact CE1-CG2 3.4Å; H188-I220 WeakPolarHBondContact CE1-CG2 3.47Å; H188-I220 WeakPolarHBondContact NE2-CG2 3.23Å; L191-I220 HydrophobicContact CB-CD1 3.91Å; L191-I220 HydrophobicContact CD2-CD1 3.92Å; L191-I220 HydrophobicContact CG-CD1 4.45Å; I216-I220 HydrophobicContact CG2-CD1 3.82Å; I216-I220 VanDerWaalsContact O-CG1 3.3Å; I216-I220 WeakPolarHBondContact O-CG1 3.42Å; I216-I220 PolarHBondContact O-N 3.45Å; I216-I220 VanDerWaalsContact O-N 3.09Å; T217-I220 PolarHBondContact O-N 3.38Å; T217-I220 VanDerWaalsContact O-N 3.15Å; I220-T222 PolarHBondContact O-N 3.43Å; I220-E223 PolarHBondContact O-N 2.93Å; I220-D224 HydrophobicContact CG2-CB 4.49Å; I220-D224 PolarHBondContact O-N 3.04Å |
| 221 | D | 84.5 | Confident | 82.2 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 21% | 0.214 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.2 | -33.8 | 174.6 | -71.6 | -32.1 | 0 | 0 | 0 | 111.7 | H188 T217 R219 I226 C227 | H188-D221 IonicContact CE1-OD1 3.96Å; H188-D221 PolarHBondContact CE1-OD1 2.99Å; H188-D221 IonicContact NE2-OD1 3Å; H188-D221 PolarHBondContact NE2-OD1 3.49Å; T217-D221 WeakPolarHBondContact O-CB 3.39Å; T217-D221 VanDerWaalsContact O-CG 3.3Å; T217-D221 PolarHBondContact O-N 3.08Å; R219-D221 VanDerWaalsContact C-N 3.33Å; D221-I226 WeakPolarHBondContact OD1-CA 3.5Å; D221-C227 PolarHBondContact OD1-N 3.32Å |
| 222 | T | 81.3 | Confident | 82.3 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 72% | 0.718 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -75.1 | -26.8 | 174.6 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | D218 R219 I220 | D218-T222 VanDerWaalsContact O-CG2 3.31Å; D218-T222 WeakPolarHBondContact O-CG2 3.22Å; D218-T222 PolarHBondContact O-N 2.96Å; D218-T222 PolarHBondContact O-OG1 3.31Å; R219-T222 WeakPolarHBondContact CA-OG1 3.43Å; R219-T222 PolarHBondContact O-N 2.87Å; R219-T222 PolarHBondContact O-OG1 2.88Å; I220-T222 PolarHBondContact O-N 3.43Å |
| 223 | E | 80.6 | Confident | 82.7 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -92.3 | -26.9 | -177.9 | -71.3 | -178.3 | -163.1 | 0 | 0 | 113.1 | S186 R219 I220 | S186-E223 WeakPolarHBondContact CA-OE2 3.32Å; S186-E223 WeakPolarHBondContact CB-OE2 3.46Å; R219-E223 PolarHBondContact O-N 3.49Å; R219-E223 VanDerWaalsContact O-N 3.12Å; I220-E223 PolarHBondContact O-N 2.93Å |
| 224 | D | 78.5 | Confident | 83 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -122 | -99.3 | -174.8 | -161.4 | 13.7 | 0 | 0 | 0 | 111 | H188 I220 | H188-D224 IonicContact CD2-OD2 3.34Å; H188-D224 PolarHBondContact CD2-OD2 2.86Å; H188-D224 PolarHBondContact N-OD2 3.08Å; H188-D224 VanDerWaalsContact N-OD2 3.15Å; I220-D224 HydrophobicContact CG2-CB 4.49Å; I220-D224 PolarHBondContact O-N 3.04Å |
| 225 | Y | 84.7 | Confident | 83.4 | Confident | 121 Ų | 121 | 59 Ų | 59 | 48% | 0.475 | 31% | 0.309 | S | S | . | . | trans | -153 | 151.7 | 178.7 | 63.2 | -86.6 | 0 | 0 | 0 | 110.9 | H188 C227 | H188-Y225 HydrophobicContact CB-CE1 4.45Å; H188-Y225 AromaticContact CD2-CE1 3.92Å; H188-Y225 PolarHBondContact CD2-O 3.46Å; H188-Y225 PolarHBondContact NE2-O 2.72Å; Y225-C227 HydrophobicContact CD2-CB 4.37Å; Y225-C227 HydrophobicContact CE2-CB 3.87Å; Y225-C227 PolarHBondContact O-N 2.96Å | ||
| 226 | I | 81 | Confident | 83.8 | Confident | 152 Ų | 152 | 55 Ų | 55 | 78% | 0.779 | 29% | 0.288 | S | S | * | . | trans | -61.7 | 114.4 | 178.5 | -58.2 | 171.5 | 0 | 0 | 0 | 110.4 | D221 | D221-I226 WeakPolarHBondContact OD1-CA 3.5Š| ||
| 227 | C | 81.7 | Confident | 84.3 | Confident | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -107.7 | 124.8 | -177.1 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | H188 D221 Y225 Y229 | H188-C227 HydrophobicContact CB-CB 4.43Å; D221-C227 PolarHBondContact OD1-N 3.32Å; Y225-C227 HydrophobicContact CD2-CB 4.37Å; Y225-C227 HydrophobicContact CE2-CB 3.87Å; Y225-C227 PolarHBondContact O-N 2.96Å; C227-Y229 HydrophobicContact CB-CD2 4.41Å; C227-Y229 HydrophobicContact CB-CE2 3.88Å; C227-Y229 WeakPolarHBondContact O-CD2 3.43Å; C227-Y229 PolarHBondContact O-N 3.47Å | ||
| 228 | D | 83 | Confident | 84.5 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | trans | -82.1 | 107.2 | 172.6 | -173.5 | 8.9 | 0 | 0 | 0 | 111.4 | S230 | D228-S230 VanDerWaalsContact C-N 3.3Å; D228-S230 PolarHBondContact O-N 3.47Å; D228-S230 WeakPolarHBondContact OD1-CB 3.42Å; D228-S230 PolarHBondContact OD1-N 2.93Å; D228-S230 PolarHBondContact OD1-OG 2.91Å | ||
| 229 | Y | 84.8 | Confident | 84.8 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | trans | -85.2 | 9.2 | 176.8 | -71 | -75.3 | 0 | 0 | 0 | 114.4 | H188 L191 Q192 L211 C227 S231 M232 K233 | H188-Y229 WeakPolarHBondContact CB-OH 3.39Å; H188-Y229 AromaticContact ND1-CE2 3.7Å; H188-Y229 AromaticContact ND1-CZ 3.56Å; H188-Y229 PolarHBondContact ND1-OH 3.4Å; L191-Y229 HydrophobicContact CD2-CE2 4.36Å; Q192-Y229 HydrophobicContact CG-CE1 3.86Å; L211-Y229 HydrophobicContact CD2-CD1 3.64Å; L211-Y229 HydrophobicContact CD2-CD2 4.08Å; L211-Y229 HydrophobicContact CD2-CE1 4.1Å; L211-Y229 HydrophobicContact CD2-CE2 4.49Å; L211-Y229 HydrophobicContact CD2-CG 3.61Å; C227-Y229 HydrophobicContact CB-CD2 4.41Å; C227-Y229 HydrophobicContact CB-CE2 3.88Å; C227-Y229 WeakPolarHBondContact O-CD2 3.43Å; C227-Y229 PolarHBondContact O-N 3.47Å; Y229-S231 PolarHBondContact O-N 3.17Å; Y229-M232 HydrophobicContact CD1-SD 4.19Å; Y229-M232 PolarHBondContact O-N 2.93Å; Y229-K233 WeakPolarHBondContact O-CG 3.3Å; Y229-K233 PolarHBondContact O-N 2.93Å | ||
| 230 | S | 84.5 | Confident | 85 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | -172.3 | -65.6 | 0 | 0 | 0 | 0 | 113.9 | D228 M232 K233 L234 Q253 | D228-S230 VanDerWaalsContact C-N 3.3Å; D228-S230 PolarHBondContact O-N 3.47Å; D228-S230 WeakPolarHBondContact OD1-CB 3.42Å; D228-S230 PolarHBondContact OD1-N 2.93Å; D228-S230 PolarHBondContact OD1-OG 2.91Å; S230-M232 VanDerWaalsContact C-N 3.35Å; S230-M232 PolarHBondContact O-N 2.91Å; S230-K233 PolarHBondContact O-N 2.83Å; S230-L234 WeakPolarHBondContact O-CB 3.42Å; S230-L234 VanDerWaalsContact O-CG 3.29Å; S230-L234 WeakPolarHBondContact O-CG 3.45Å; S230-L234 PolarHBondContact O-N 3Å; S230-Q253 PolarHBondContact OG-NE2 3.32Å |
| 231 | S | 85.6 | Confident | 85.1 | Confident | 72 Ų | 72 | 58 Ų | 58 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 176.9 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | Y229 S235 | Y229-S231 PolarHBondContact O-N 3.17Å; S231-S235 PolarHBondContact O-N 3.27Å |
| 232 | M | 85.9 | Confident | 85.3 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 20% | 0.197 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 177.3 | -171.1 | 174.2 | -78.6 | 0 | 0 | 111.3 | Q192 I195 L211 Y229 S230 S235 L236 | Q192-M232 HydrophobicContact CB-CE 4.38Å; Q192-M232 HydrophobicContact CG-CE 4.03Å; I195-M232 HydrophobicContact CB-SD 3.88Å; I195-M232 HydrophobicContact CD1-SD 3.67Å; I195-M232 HydrophobicContact CG1-SD 4.37Å; I195-M232 HydrophobicContact CG2-CG 3.93Å; I195-M232 HydrophobicContact CG2-SD 3.39Å; I195-M232 WeakPolarHBondContact CG2-SD 3.48Å; L211-M232 HydrophobicContact CD1-CG 4.24Å; L211-M232 HydrophobicContact CD1-SD 4.37Å; Y229-M232 HydrophobicContact CD1-SD 4.19Å; Y229-M232 PolarHBondContact O-N 2.93Å; S230-M232 VanDerWaalsContact C-N 3.35Å; S230-M232 PolarHBondContact O-N 2.91Å; M232-S235 WeakPolarHBondContact O-CB 3.49Å; M232-S235 PolarHBondContact O-N 3.16Å; M232-L236 HydrophobicContact CG-CD1 4.44Å; M232-L236 WeakPolarHBondContact O-CG 3.38Å; M232-L236 PolarHBondContact O-N 2.97Å |
| 233 | K | 88.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.9 | -73.7 | 177 | 179 | 176 | 0 | 111.5 | L211 Y229 S230 S235 L236 L237 L249 | L211-K233 HydrophobicContact CB-CG 4.44Å; L211-K233 HydrophobicContact CD1-CG 3.85Å; Y229-K233 WeakPolarHBondContact O-CG 3.3Å; Y229-K233 PolarHBondContact O-N 2.93Å; S230-K233 PolarHBondContact O-N 2.83Å; K233-S235 VanDerWaalsContact C-N 3.32Å; K233-S235 PolarHBondContact O-N 3.15Å; K233-L236 PolarHBondContact O-N 3.22Å; K233-L237 WeakPolarHBondContact O-CB 3.48Å; K233-L237 VanDerWaalsContact O-CG 3.26Å; K233-L237 WeakPolarHBondContact O-CG 3.46Å; K233-L237 PolarHBondContact O-N 2.64Å; K233-L249 HydrophobicContact CB-CD2 3.5Å; K233-L249 HydrophobicContact CD-CD2 4.45Å |
| 234 | L | 88.3 | Confident | 86 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | 174.9 | -74.4 | 172.2 | 0 | 0 | 0 | 111.7 | S230 A238 L246 L249 A250 P263 | S230-L234 WeakPolarHBondContact O-CB 3.42Å; S230-L234 VanDerWaalsContact O-CG 3.29Å; S230-L234 WeakPolarHBondContact O-CG 3.45Å; S230-L234 PolarHBondContact O-N 3Å; L234-A238 VanDerWaalsContact O-CB 3.3Å; L234-A238 WeakPolarHBondContact O-CB 3.33Å; L234-A238 PolarHBondContact O-N 3.42Å; L234-L246 HydrophobicContact CD2-CG 4.31Å; L234-L249 HydrophobicContact CD2-CB 4.09Å; L234-L249 HydrophobicContact CD2-CD2 3.89Å; L234-L249 HydrophobicContact CD2-CG 3.92Å; L234-L249 HydrophobicContact CG-CD2 3.86Å; L234-L249 HydrophobicContact CG-CG 4.15Å; L234-A250 HydrophobicContact CD2-CB 3.78Å; L234-P263 HydrophobicContact CD1-CB 4.09Å; L234-P263 HydrophobicContact CD1-CG 4.04Å |
| 235 | S | 89 | Confident | 86.5 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 175.3 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | S231 M232 K233 A238 H239 | S231-S235 PolarHBondContact O-N 3.27Å; M232-S235 WeakPolarHBondContact O-CB 3.49Å; M232-S235 PolarHBondContact O-N 3.16Å; K233-S235 VanDerWaalsContact C-N 3.32Å; K233-S235 PolarHBondContact O-N 3.15Å; S235-A238 WeakPolarHBondContact O-CB 3.41Å; S235-A238 PolarHBondContact O-N 3.25Å; S235-H239 PolarHBondContact O-N 3.42Å; S235-H239 VanDerWaalsContact O-N 3.16Å; S235-H239 PolarHBondContact O-ND1 2.92Å |
| 236 | L | 88.6 | Confident | 86.8 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 179.9 | -68.1 | 170.8 | 0 | 0 | 0 | 112.6 | I195 A199 Y204 A207 L211 M232 K233 A238 H239 L240 | I195-L236 HydrophobicContact CG2-CD1 3.96Å; I195-L236 HydrophobicContact CG2-CD2 4.49Å; A199-L236 HydrophobicContact CB-CD2 4.28Å; Y204-L236 HydrophobicContact CD1-CD2 4Å; A207-L236 HydrophobicContact CB-CD1 3.96Å; A207-L236 HydrophobicContact CB-CD2 3.87Å; L211-L236 HydrophobicContact CD1-CD1 3.59Å; M232-L236 HydrophobicContact CG-CD1 4.44Å; M232-L236 WeakPolarHBondContact O-CG 3.38Å; M232-L236 PolarHBondContact O-N 2.97Å; K233-L236 PolarHBondContact O-N 3.22Å; L236-A238 VanDerWaalsContact C-N 3.26Å; L236-A238 PolarHBondContact O-N 3.21Å; L236-H239 PolarHBondContact O-N 3.17Å; L236-H239 VanDerWaalsContact O-N 3.17Å; L236-L240 WeakPolarHBondContact O-CG 3.48Å; L236-L240 PolarHBondContact O-N 2.62Å |
| 237 | L | 90 | Very high | 87.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -34.9 | 176.7 | -71.6 | 169 | 0 | 0 | 0 | 111.8 | Y208 K233 L240 D241 A242 D245 L246 L249 | Y208-L237 HydrophobicContact CD2-CD2 3.95Å; Y208-L237 HydrophobicContact CD2-CG 4.03Å; Y208-L237 HydrophobicContact CE1-CD2 4.17Å; Y208-L237 HydrophobicContact CE2-CD1 3.86Å; Y208-L237 HydrophobicContact CE2-CD2 3.59Å; Y208-L237 HydrophobicContact CE2-CG 3.7Å; Y208-L237 HydrophobicContact CG-CD2 4.39Å; K233-L237 WeakPolarHBondContact O-CB 3.48Å; K233-L237 VanDerWaalsContact O-CG 3.26Å; K233-L237 WeakPolarHBondContact O-CG 3.46Å; K233-L237 PolarHBondContact O-N 2.64Å; L237-L240 PolarHBondContact O-N 3.33Å; L237-D241 PolarHBondContact O-N 3Å; L237-D241 VanDerWaalsContact O-N 3.13Å; L237-A242 HydrophobicContact CD2-CB 3.77Å; L237-A242 PolarHBondContact O-N 3.44Å; L237-D245 HydrophobicContact CD1-CB 4.11Å; L237-D245 HydrophobicContact CD2-CB 3.79Å; L237-L246 HydrophobicContact CB-CB 3.98Å; L237-L246 HydrophobicContact CB-CD1 4.16Å; L237-L246 HydrophobicContact CB-CG 4.42Å; L237-L249 HydrophobicContact CD1-CD2 4Å |
| 238 | A | 87.8 | Confident | 87.8 | Confident | 13 Ų | 13 | 46 Ų | 46 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L234 S235 L236 D241 L246 K266 T270 | L234-A238 VanDerWaalsContact O-CB 3.3Å; L234-A238 WeakPolarHBondContact O-CB 3.33Å; L234-A238 PolarHBondContact O-N 3.42Å; S235-A238 WeakPolarHBondContact O-CB 3.41Å; S235-A238 PolarHBondContact O-N 3.25Å; L236-A238 VanDerWaalsContact C-N 3.26Å; L236-A238 PolarHBondContact O-N 3.21Å; A238-D241 PolarHBondContact O-N 2.84Å; A238-L246 HydrophobicContact CB-CD1 3.71Å; A238-K266 HydrophobicContact CB-CD 3.98Å; A238-T270 HydrophobicContact CB-CG2 3.62Å |
| 239 | H | 86.5 | Confident | 88.2 | Confident | 100 Ų | 100 | 42.6 Ų | 42.6 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.5 | -30.7 | 175.2 | -69.1 | 84.7 | 0 | 0 | 0 | 112.7 | Y204 S235 L236 D241 | Y204-H239 HydrophobicContact CD1-CB 3.76Å; Y204-H239 HydrophobicContact CD2-CB 3.9Å; Y204-H239 HydrophobicContact CE1-CB 3.81Å; Y204-H239 AromaticContact CE1-CD2 3.87Å; Y204-H239 AromaticContact CE1-CG 3.81Å; Y204-H239 HydrophobicContact CE2-CB 3.95Å; Y204-H239 HydrophobicContact CG-CB 3.81Å; Y204-H239 AromaticContact CZ-CD2 3.74Å; Y204-H239 AromaticContact CZ-CG 3.99Å; S235-H239 PolarHBondContact O-N 3.42Å; S235-H239 VanDerWaalsContact O-N 3.16Å; S235-H239 PolarHBondContact O-ND1 2.92Å; L236-H239 PolarHBondContact O-N 3.17Å; L236-H239 VanDerWaalsContact O-N 3.17Å; H239-D241 VanDerWaalsContact C-N 3.28Å |
| 240 | L | 87.7 | Confident | 88.5 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -77.2 | -10 | 174.9 | -74.5 | 170.9 | 0 | 0 | 0 | 114.2 | E205 L236 L237 A242 | E205-L240 HydrophobicContact CB-CD2 4.01Å; L236-L240 WeakPolarHBondContact O-CG 3.48Å; L236-L240 PolarHBondContact O-N 2.62Å; L237-L240 PolarHBondContact O-N 3.33Å; L240-A242 HydrophobicContact CB-CB 4.11Å; L240-A242 PolarHBondContact O-N 3.06Å |
| 241 | D | 84.5 | Confident | 88.9 | Confident | 59 Ų | 59 | 44.2 Ų | 44.2 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 26.5 | -168.8 | -151.3 | 65.2 | 0 | 0 | 0 | 113.5 | L237 A238 H239 W243 K273 R277 | L237-D241 PolarHBondContact O-N 3Å; L237-D241 VanDerWaalsContact O-N 3.13Å; A238-D241 PolarHBondContact O-N 2.84Å; H239-D241 VanDerWaalsContact C-N 3.28Å; D241-W243 VanDerWaalsContact C-N 3.26Å; D241-W243 PolarHBondContact O-N 3.4Å; D241-K273 IonicContact OD1-NZ 3.8Å; D241-K273 PolarHBondContact OD1-NZ 2.75Å; D241-R277 IonicContact OD1-NH1 2.74Å; D241-R277 PolarHBondContact OD1-NH1 3.24Å; D241-R277 VanDerWaalsContact OD1-NH1 3.14Å; D241-R277 IonicContact OD2-CZ 2.87Å; D241-R277 IonicContact OD2-NH1 3.65Å; D241-R277 PolarHBondContact OD2-NH1 3.01Å; D241-R277 VanDerWaalsContact OD2-NH1 3.09Å; D241-R277 IonicContact OD2-NH2 3.55Å; D241-R277 PolarHBondContact OD2-NH2 2.98Å |
| 242 | A | 88.4 | Confident | 89.1 | Confident | 29 Ų | 29 | 43 Ų | 43 | 24% | 0.24 | 23% | 0.226 | C | C | . | . | trans | -79.4 | 71.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L237 L240 N244 D245 L246 | L237-A242 HydrophobicContact CD2-CB 3.77Å; L237-A242 PolarHBondContact O-N 3.44Å; L240-A242 HydrophobicContact CB-CB 4.11Å; L240-A242 PolarHBondContact O-N 3.06Å; A242-N244 PolarHBondContact O-N 3.46Å; A242-D245 PolarHBondContact O-N 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.44Å; A242-L246 PolarHBondContact O-N 2.94Å | ||
| 243 | W | 87.5 | Confident | 89.3 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.1 | -48.1 | -168.5 | 173.3 | -109.1 | 0 | 0 | 0 | 115.4 | D241 D245 L246 Y247 L267 T270 R277 V281 | D241-W243 VanDerWaalsContact C-N 3.26Å; D241-W243 PolarHBondContact O-N 3.4Å; W243-D245 VanDerWaalsContact C-N 3.35Å; W243-D245 PolarHBondContact O-N 2.99Å; W243-L246 HydrophobicContact CE3-CD2 4.28Å; W243-L246 HydrophobicContact CZ3-CD2 4.02Å; W243-L246 PolarHBondContact O-N 3.43Å; W243-Y247 AromaticContact CH2-CD2 3.96Å; W243-Y247 HydrophobicContact CH2-CD2 3.96Å; W243-Y247 AromaticContact CZ2-CD2 3.56Å; W243-Y247 HydrophobicContact CZ2-CD2 3.56Å; W243-Y247 HydrophobicContact CZ2-CE2 4.36Å; W243-Y247 HydrophobicContact CZ2-CG 4.14Å; W243-Y247 VanDerWaalsContact O-CB 3.26Å; W243-Y247 WeakPolarHBondContact O-CB 3.25Å; W243-Y247 PolarHBondContact O-N 3.08Å; W243-L267 HydrophobicContact CH2-CD2 3.76Å; W243-L267 HydrophobicContact CZ3-CD2 3.99Å; W243-T270 WeakPolarHBondContact CZ3-OG1 3.35Å; W243-R277 HydrophobicContact CD2-CB 4.14Å; W243-R277 VanDerWaalsContact CD2-CD 3.5Å; W243-R277 HydrophobicContact CD2-CG 3.69Å; W243-R277 HydrophobicContact CE3-CB 4.43Å; W243-R277 HydrophobicContact CE3-CG 4.27Å; W243-R277 HydrophobicContact CG-CG 3.9Å; W243-R277 HydrophobicContact CH2-CB 4.08Å; W243-R277 HydrophobicContact CZ2-CB 3.72Å; W243-R277 HydrophobicContact CZ2-CG 4.12Å; W243-R277 HydrophobicContact CZ3-CB 4.41Å; W243-V281 HydrophobicContact CH2-CG2 3.4Å; W243-V281 HydrophobicContact CZ2-CG2 4Å; W243-V281 HydrophobicContact CZ3-CG2 4.45Å |
| 244 | N | 90.1 | Very high | 89.3 | Confident | 110 Ų | 110 | 40 Ų | 40 | 59% | 0.588 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.1 | -43.2 | -173.6 | -65.9 | -33 | 0 | 0 | 0 | 111.6 | A242 Y247 E248 | A242-N244 PolarHBondContact O-N 3.46Å; N244-Y247 PolarHBondContact O-N 3.01Å; N244-E248 PolarHBondContact O-N 2.84Å; N244-E248 VanDerWaalsContact O-N 3.09Å |
| 245 | D | 88.9 | Confident | 89.3 | Confident | 86 Ų | 86 | 46.7 Ų | 46.7 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.1 | -40.7 | 178.1 | -65.3 | -16.3 | 0 | 0 | 0 | 111.1 | L237 A242 W243 Y247 L249 | L237-D245 HydrophobicContact CD1-CB 4.11Å; L237-D245 HydrophobicContact CD2-CB 3.79Å; A242-D245 PolarHBondContact O-N 3.28Å; W243-D245 VanDerWaalsContact C-N 3.35Å; W243-D245 PolarHBondContact O-N 2.99Å; D245-Y247 VanDerWaalsContact C-N 3.33Å; D245-Y247 PolarHBondContact O-N 3.48Å; D245-L249 VanDerWaalsContact O-CB 3.32Å; D245-L249 WeakPolarHBondContact O-CB 3.24Å; D245-L249 PolarHBondContact O-N 2.87Å |
| 246 | L | 90.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.1 | -175.2 | 147.7 | 0 | 0 | 0 | 111.1 | L234 L237 A238 A242 W243 A250 L267 T270 | L234-L246 HydrophobicContact CD2-CG 4.31Å; L237-L246 HydrophobicContact CB-CB 3.98Å; L237-L246 HydrophobicContact CB-CD1 4.16Å; L237-L246 HydrophobicContact CB-CG 4.42Å; A238-L246 HydrophobicContact CB-CD1 3.71Å; A242-L246 WeakPolarHBondContact O-CB 3.44Å; A242-L246 PolarHBondContact O-N 2.94Å; W243-L246 HydrophobicContact CE3-CD2 4.28Å; W243-L246 HydrophobicContact CZ3-CD2 4.02Å; W243-L246 PolarHBondContact O-N 3.43Å; L246-A250 WeakPolarHBondContact O-CB 3.45Å; L246-A250 PolarHBondContact O-N 2.87Å; L246-L267 HydrophobicContact CD2-CD2 3.56Å; L246-L267 HydrophobicContact CD2-CG 4.22Å; L246-T270 HydrophobicContact CD1-CG2 3.96Å |
| 247 | Y | 91.5 | Very high | 89.2 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | -177.7 | -179.8 | -97 | 0 | 0 | 0 | 111.7 | W243 N244 D245 A250 K251 L267 K280 L284 | W243-Y247 AromaticContact CH2-CD2 3.96Å; W243-Y247 HydrophobicContact CH2-CD2 3.96Å; W243-Y247 AromaticContact CZ2-CD2 3.56Å; W243-Y247 HydrophobicContact CZ2-CD2 3.56Å; W243-Y247 HydrophobicContact CZ2-CE2 4.36Å; W243-Y247 HydrophobicContact CZ2-CG 4.14Å; W243-Y247 VanDerWaalsContact O-CB 3.26Å; W243-Y247 WeakPolarHBondContact O-CB 3.25Å; W243-Y247 PolarHBondContact O-N 3.08Å; N244-Y247 PolarHBondContact O-N 3.01Å; D245-Y247 VanDerWaalsContact C-N 3.33Å; D245-Y247 PolarHBondContact O-N 3.48Å; Y247-A250 PolarHBondContact O-N 2.86Å; Y247-K251 HydrophobicContact CE1-CD 4.14Å; Y247-K251 WeakPolarHBondContact O-CB 3.45Å; Y247-K251 PolarHBondContact O-N 3.46Å; Y247-L267 HydrophobicContact CD2-CD2 4.04Å; Y247-K280 HydrophobicContact CE2-CB 4.1Å; Y247-L284 HydrophobicContact CE2-CB 4.49Å; Y247-L284 HydrophobicContact CE2-CD2 4.06Å |
| 248 | E | 92.6 | Very high | 89.1 | Confident | 108 Ų | 108 | 55 Ų | 55 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 178.8 | -70.1 | -58 | 146.6 | 0 | 0 | 112 | N244 K251 S252 | N244-E248 PolarHBondContact O-N 2.84Å; N244-E248 VanDerWaalsContact O-N 3.09Å; E248-K251 PolarHBondContact O-N 2.63Å; E248-K251 IonicContact OE2-NZ 2.73Å; E248-S252 PolarHBondContact O-N 3.44Å; E248-S252 PolarHBondContact O-OG 2.8Å |
| 249 | L | 90.8 | Very high | 89 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 175.6 | -177 | 62.5 | 0 | 0 | 0 | 111.5 | K233 L234 L237 D245 K251 S252 Q253 | K233-L249 HydrophobicContact CB-CD2 3.5Å; K233-L249 HydrophobicContact CD-CD2 4.45Å; L234-L249 HydrophobicContact CD2-CB 4.09Å; L234-L249 HydrophobicContact CD2-CD2 3.89Å; L234-L249 HydrophobicContact CD2-CG 3.92Å; L234-L249 HydrophobicContact CG-CD2 3.86Å; L234-L249 HydrophobicContact CG-CG 4.15Å; L237-L249 HydrophobicContact CD1-CD2 4Å; D245-L249 VanDerWaalsContact O-CB 3.32Å; D245-L249 WeakPolarHBondContact O-CB 3.24Å; D245-L249 PolarHBondContact O-N 2.87Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 2.77Å; L249-S252 PolarHBondContact O-N 3.21Å; L249-S252 PolarHBondContact O-OG 3.31Å; L249-Q253 WeakPolarHBondContact O-CG 3.39Å; L249-Q253 PolarHBondContact O-N 3.16Å |
| 250 | A | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L234 L246 Y247 S252 Q253 I254 P263 L267 | L234-A250 HydrophobicContact CD2-CB 3.78Å; L246-A250 WeakPolarHBondContact O-CB 3.45Å; L246-A250 PolarHBondContact O-N 2.87Å; Y247-A250 PolarHBondContact O-N 2.86Å; A250-S252 PolarHBondContact O-N 3.35Å; A250-Q253 PolarHBondContact O-N 2.81Å; A250-I254 WeakPolarHBondContact O-CB 3.47Å; A250-I254 WeakPolarHBondContact O-CD1 3.37Å; A250-I254 WeakPolarHBondContact O-CG1 3.37Å; A250-I254 PolarHBondContact O-N 2.72Å; A250-P263 HydrophobicContact CB-CB 4.12Å; A250-L267 HydrophobicContact CB-CD1 3.64Å; A250-L267 HydrophobicContact CB-CD2 3.86Å; A250-L267 HydrophobicContact CB-CG 3.64Å |
| 251 | K | 91.7 | Very high | 89.1 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 26% | 0.261 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 176.1 | 178.1 | -179.2 | 172.9 | -163.1 | 0 | 111.9 | Y247 E248 L249 Q253 I254 Q255 L284 | Y247-K251 HydrophobicContact CE1-CD 4.14Å; Y247-K251 WeakPolarHBondContact O-CB 3.45Å; Y247-K251 PolarHBondContact O-N 3.46Å; E248-K251 PolarHBondContact O-N 2.63Å; E248-K251 IonicContact OE2-NZ 2.73Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 2.77Å; K251-Q253 VanDerWaalsContact C-N 3.33Å; K251-Q253 PolarHBondContact O-N 2.97Å; K251-I254 PolarHBondContact O-N 3.23Å; K251-Q255 WeakPolarHBondContact O-CG 3.12Å; K251-Q255 PolarHBondContact O-N 3.4Å; K251-L284 HydrophobicContact CB-CD2 4.33Å; K251-L284 HydrophobicContact CD-CD1 4.44Å; K251-L284 HydrophobicContact CG-CD1 3.99Å |
| 252 | S | 91.4 | Very high | 89.3 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 175.9 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | E248 L249 A250 Q255 I256 | E248-S252 PolarHBondContact O-N 3.44Å; E248-S252 PolarHBondContact O-OG 2.8Å; L249-S252 PolarHBondContact O-N 3.21Å; L249-S252 PolarHBondContact O-OG 3.31Å; A250-S252 PolarHBondContact O-N 3.35Å; S252-Q255 PolarHBondContact O-N 2.83Å; S252-I256 WeakPolarHBondContact O-CG1 3.47Å; S252-I256 PolarHBondContact O-N 3.08Å |
| 253 | Q | 89.2 | Confident | 89.4 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 176.6 | -74.4 | -66.3 | -34.6 | 0 | 0 | 112.3 | S230 L249 A250 K251 Q255 I256 N257 P263 | S230-Q253 PolarHBondContact OG-NE2 3.32Å; L249-Q253 WeakPolarHBondContact O-CG 3.39Å; L249-Q253 PolarHBondContact O-N 3.16Å; A250-Q253 PolarHBondContact O-N 2.81Å; K251-Q253 VanDerWaalsContact C-N 3.33Å; K251-Q253 PolarHBondContact O-N 2.97Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.27Å; Q253-I256 WeakPolarHBondContact O-CB 3.45Å; Q253-I256 PolarHBondContact O-N 3.2Å; Q253-I256 VanDerWaalsContact O-N 3.08Å; Q253-N257 PolarHBondContact O-N 3.38Å; Q253-P263 HydrophobicContact CB-CG 3.98Å |
| 254 | I | 89.8 | Confident | 89.6 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -34.6 | 176.4 | -71.4 | 161.9 | 0 | 0 | 0 | 111.5 | A250 K251 I256 N257 P258 P263 W264 L267 L284 | A250-I254 WeakPolarHBondContact O-CB 3.47Å; A250-I254 WeakPolarHBondContact O-CD1 3.37Å; A250-I254 WeakPolarHBondContact O-CG1 3.37Å; A250-I254 PolarHBondContact O-N 2.72Å; K251-I254 PolarHBondContact O-N 3.23Å; I254-I256 VanDerWaalsContact C-N 3.26Å; I254-I256 PolarHBondContact O-N 3.36Å; I254-N257 CarbonylContact O-C 3.34Å; I254-P258 VanDerWaalsContact O-CA 3.31Å; I254-P258 WeakPolarHBondContact O-CA 3.49Å; I254-P258 VanDerWaalsContact O-CD 3.3Å; I254-P258 WeakPolarHBondContact O-CD 3.5Å; I254-P258 VanDerWaalsContact O-CG 3.29Å; I254-P258 WeakPolarHBondContact O-CG 3.17Å; I254-P258 VanDerWaalsContact O-N 3.07Å; I254-P263 HydrophobicContact CD1-CB 4.07Å; I254-P263 HydrophobicContact CG1-CB 3.88Å; I254-P263 HydrophobicContact CG1-CG 4.48Å; I254-W264 HydrophobicContact CB-CZ2 4.37Å; I254-W264 HydrophobicContact CD1-CD2 3.88Å; I254-W264 HydrophobicContact CD1-CE3 3.83Å; I254-W264 HydrophobicContact CD1-CH2 3.81Å; I254-W264 HydrophobicContact CD1-CZ2 3.86Å; I254-W264 HydrophobicContact CD1-CZ3 3.78Å; I254-W264 HydrophobicContact CG1-CD2 4.36Å; I254-W264 HydrophobicContact CG1-CH2 4.45Å; I254-W264 HydrophobicContact CG1-CZ2 4.03Å; I254-W264 HydrophobicContact CG2-CH2 3.84Å; I254-W264 HydrophobicContact CG2-CZ2 3.4Å; I254-W264 VanDerWaalsContact CG2-CZ2 3.4Å; I254-L267 HydrophobicContact CD1-CD1 3.58Å; I254-L284 HydrophobicContact CD1-CD2 4.11Å |
| 255 | Q | 88.5 | Confident | 89.6 | Confident | 143 Ų | 143 | 54 Ų | 54 | 67% | 0.668 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.1 | -29.3 | 174.2 | -75.6 | 175.8 | -9.5 | 0 | 0 | 112.8 | K251 S252 Q253 | K251-Q255 WeakPolarHBondContact O-CG 3.12Å; K251-Q255 PolarHBondContact O-N 3.4Å; S252-Q255 PolarHBondContact O-N 2.83Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.27Å |
| 256 | I | 87.3 | Confident | 89.7 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 67% | 0.672 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -78.6 | -50 | 176 | -62.8 | 164.7 | 0 | 0 | 0 | 110.2 | S252 Q253 I254 | S252-I256 WeakPolarHBondContact O-CG1 3.47Å; S252-I256 PolarHBondContact O-N 3.08Å; Q253-I256 WeakPolarHBondContact O-CB 3.45Å; Q253-I256 PolarHBondContact O-N 3.2Å; Q253-I256 VanDerWaalsContact O-N 3.08Å; I254-I256 VanDerWaalsContact C-N 3.26Å; I254-I256 PolarHBondContact O-N 3.36Å |
| 257 | N | 87.6 | Confident | 89.8 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | trans | -138.6 | 96.1 | 178.5 | -176.7 | 11.1 | 0 | 0 | 0 | 111.2 | Q253 I254 D259 D260 | Q253-N257 PolarHBondContact O-N 3.38Å; I254-N257 CarbonylContact O-C 3.34Å; N257-D259 PolarHBondContact O-N 3.26Å; N257-D259 PolarHBondContact OD1-N 2.87Å; N257-D260 HydrophobicContact CB-CB 4.49Å; N257-D260 PolarHBondContact O-N 3.31Å | ||
| 258 | P | 86.6 | Confident | 89.6 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.8 | -179.4 | -18.6 | 27.9 | 0 | 0 | 0 | 114.3 | I254 W264 P298 | I254-P258 VanDerWaalsContact O-CA 3.31Å; I254-P258 WeakPolarHBondContact O-CA 3.49Å; I254-P258 VanDerWaalsContact O-CD 3.3Å; I254-P258 WeakPolarHBondContact O-CD 3.5Å; I254-P258 VanDerWaalsContact O-CG 3.29Å; I254-P258 WeakPolarHBondContact O-CG 3.17Å; I254-P258 VanDerWaalsContact O-N 3.07Å; P258-W264 PolarHBondContact O-NE1 2.93Å; P258-P298 HydrophobicContact CB-CG 4.16Å; P258-P298 WeakPolarHBondContact O-CD 3.03Å |
| 259 | D | 86.9 | Confident | 89.4 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.5 | -179.6 | -86 | -32.8 | 0 | 0 | 0 | 113.8 | N257 W261 N295 R296 G297 | N257-D259 PolarHBondContact O-N 3.26Å; N257-D259 PolarHBondContact OD1-N 2.87Å; D259-W261 PolarHBondContact O-N 3Å; D259-N295 WeakPolarHBondContact OD1-CA 3.46Å; D259-N295 VanDerWaalsContact OD1-CB 3.31Å; D259-N295 WeakPolarHBondContact OD1-CB 3.1Å; D259-N295 PolarHBondContact OD2-ND2 3.06Å; D259-R296 PolarHBondContact OD1-N 2.86Å; D259-G297 PolarHBondContact OD1-N 3.38Å |
| 260 | D | 87.4 | Confident | 89.2 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -66.2 | 118.5 | 173.9 | -176.5 | 4.3 | 0 | 0 | 0 | 110.3 | N257 T262 P263 | N257-D260 HydrophobicContact CB-CB 4.49Å; N257-D260 PolarHBondContact O-N 3.31Å; D260-T262 VanDerWaalsContact C-N 3.32Å; D260-T262 WeakPolarHBondContact OD1-CB 3.31Å; D260-T262 PolarHBondContact OD1-N 3.23Å; D260-T262 PolarHBondContact OD1-OG1 3.19Å; D260-P263 HydrophobicContact CB-CG 4.47Å; D260-P263 WeakPolarHBondContact O-CD 3.38Å; D260-P263 WeakPolarHBondContact OD2-CD 3.41Å | ||
| 261 | W | 89.1 | Confident | 89 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 31% | 0.311 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.8 | -22.6 | -179.8 | -173.7 | -119.2 | 0 | 0 | 0 | 113.1 | D259 W264 K265 I268 L300 A301 D304 | D259-W261 PolarHBondContact O-N 3Å; W261-W264 HydrophobicContact CE3-CB 3.94Å; W261-W264 HydrophobicContact CZ3-CB 4.09Å; W261-W264 PolarHBondContact O-N 3.48Å; W261-K265 VanDerWaalsContact O-CB 3.29Å; W261-K265 WeakPolarHBondContact O-CB 3.31Å; W261-K265 PolarHBondContact O-N 2.9Å; W261-I268 HydrophobicContact CH2-CD1 4.26Å; W261-L300 HydrophobicContact CH2-CD2 4.34Å; W261-L300 HydrophobicContact CH2-CG 4.2Å; W261-L300 HydrophobicContact CZ3-CB 4.22Å; W261-L300 HydrophobicContact CZ3-CD2 4.23Å; W261-L300 HydrophobicContact CZ3-CG 4.19Å; W261-A301 HydrophobicContact CH2-CB 4.49Å; W261-A301 HydrophobicContact CZ3-CB 3.93Å; W261-D304 HydrophobicContact CH2-CB 4.03Å |
| 262 | T | 88.7 | Confident | 88.6 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -48.4 | -172.8 | -44.6 | 0 | 0 | 0 | 0 | 112.7 | D260 K266 | D260-T262 VanDerWaalsContact C-N 3.32Å; D260-T262 WeakPolarHBondContact OD1-CB 3.31Å; D260-T262 PolarHBondContact OD1-N 3.23Å; D260-T262 PolarHBondContact OD1-OG1 3.19Å; T262-K266 WeakPolarHBondContact O-CG 3.48Å; T262-K266 PolarHBondContact O-N 3.33Å; T262-K266 VanDerWaalsContact O-N 3.13Å |
| 263 | P | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 175 | -20.6 | 33.8 | 0 | 0 | 0 | 112.5 | L234 A250 Q253 I254 D260 K266 L267 | L234-P263 HydrophobicContact CD1-CB 4.09Å; L234-P263 HydrophobicContact CD1-CG 4.04Å; A250-P263 HydrophobicContact CB-CB 4.12Å; Q253-P263 HydrophobicContact CB-CG 3.98Å; I254-P263 HydrophobicContact CD1-CB 4.07Å; I254-P263 HydrophobicContact CG1-CB 3.88Å; I254-P263 HydrophobicContact CG1-CG 4.48Å; D260-P263 HydrophobicContact CB-CG 4.47Å; D260-P263 WeakPolarHBondContact O-CD 3.38Å; D260-P263 WeakPolarHBondContact OD2-CD 3.41Å; P263-K266 PolarHBondContact O-N 3.06Å; P263-L267 WeakPolarHBondContact O-CB 3.48Å; P263-L267 WeakPolarHBondContact O-CG 3.34Å; P263-L267 PolarHBondContact O-N 2.96Å |
| 264 | W | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 177.8 | -69.6 | 122.6 | 0 | 0 | 0 | 111.6 | I254 P258 W261 K266 L267 I268 L284 I285 A288 P298 A301 | I254-W264 HydrophobicContact CB-CZ2 4.37Å; I254-W264 HydrophobicContact CD1-CD2 3.88Å; I254-W264 HydrophobicContact CD1-CE3 3.83Å; I254-W264 HydrophobicContact CD1-CH2 3.81Å; I254-W264 HydrophobicContact CD1-CZ2 3.86Å; I254-W264 HydrophobicContact CD1-CZ3 3.78Å; I254-W264 HydrophobicContact CG1-CD2 4.36Å; I254-W264 HydrophobicContact CG1-CH2 4.45Å; I254-W264 HydrophobicContact CG1-CZ2 4.03Å; I254-W264 HydrophobicContact CG2-CH2 3.84Å; I254-W264 HydrophobicContact CG2-CZ2 3.4Å; I254-W264 VanDerWaalsContact CG2-CZ2 3.4Å; P258-W264 PolarHBondContact O-NE1 2.93Å; W261-W264 HydrophobicContact CE3-CB 3.94Å; W261-W264 HydrophobicContact CZ3-CB 4.09Å; W261-W264 PolarHBondContact O-N 3.48Å; W264-K266 VanDerWaalsContact C-N 3.32Å; W264-K266 PolarHBondContact O-N 3.49Å; W264-L267 HydrophobicContact CE3-CD1 4.33Å; W264-L267 PolarHBondContact O-N 2.89Å; W264-I268 WeakPolarHBondContact O-CB 3.48Å; W264-I268 VanDerWaalsContact O-CG1 3.26Å; W264-I268 WeakPolarHBondContact O-CG1 3.47Å; W264-I268 PolarHBondContact O-N 3.47Å; W264-L284 HydrophobicContact CH2-CG 4.33Å; W264-L284 HydrophobicContact CZ3-CD2 4.4Å; W264-L284 HydrophobicContact CZ3-CG 4.4Å; W264-I285 HydrophobicContact CE3-CG1 4.02Å; W264-I285 HydrophobicContact CH2-CG1 4.06Å; W264-I285 HydrophobicContact CZ3-CB 4.42Å; W264-I285 HydrophobicContact CZ3-CD1 4.47Å; W264-I285 HydrophobicContact CZ3-CG1 3.42Å; W264-I285 VanDerWaalsContact CZ3-CG1 3.42Å; W264-A288 HydrophobicContact CH2-CB 3.87Å; W264-A288 HydrophobicContact CZ2-CB 3.91Å; W264-P298 HydrophobicContact CZ2-CB 4.06Å; W264-P298 HydrophobicContact CZ2-CG 3.94Å; W264-A301 HydrophobicContact CB-CB 4.09Å; W264-A301 HydrophobicContact CD2-CB 3.92Å; W264-A301 HydrophobicContact CE3-CB 3.99Å; W264-A301 HydrophobicContact CG-CB 3.98Å |
| 265 | K | 90.3 | Very high | 87.4 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.7 | -46.2 | 177.3 | -176.1 | 175.8 | 179.2 | 173.9 | 0 | 111.5 | W261 I268 E269 | W261-K265 VanDerWaalsContact O-CB 3.29Å; W261-K265 WeakPolarHBondContact O-CB 3.31Å; W261-K265 PolarHBondContact O-N 2.9Å; K265-I268 PolarHBondContact O-N 3.31Å; K265-E269 WeakPolarHBondContact CE-OE1 3.03Å; K265-E269 HydrophobicContact CG-CG 4.4Å; K265-E269 WeakPolarHBondContact CG-OE1 3.26Å; K265-E269 WeakPolarHBondContact O-CB 3.47Å; K265-E269 VanDerWaalsContact O-CG 3.25Å; K265-E269 WeakPolarHBondContact O-CG 3.28Å; K265-E269 PolarHBondContact O-N 3.41Å |
| 266 | K | 90 | Very high | 87.2 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68 | -37.9 | 179.8 | -69.9 | -71 | 159.9 | -149.7 | 0 | 113 | A238 T262 P263 W264 E269 T270 | A238-K266 HydrophobicContact CB-CD 3.98Å; T262-K266 WeakPolarHBondContact O-CG 3.48Å; T262-K266 PolarHBondContact O-N 3.33Å; T262-K266 VanDerWaalsContact O-N 3.13Å; P263-K266 PolarHBondContact O-N 3.06Å; W264-K266 VanDerWaalsContact C-N 3.32Å; W264-K266 PolarHBondContact O-N 3.49Å; K266-E269 IonicContact NZ-OE2 3.99Å; K266-E269 PolarHBondContact NZ-OE2 3.36Å; K266-T270 WeakPolarHBondContact O-CB 3.3Å; K266-T270 WeakPolarHBondContact O-CG2 3.4Å; K266-T270 PolarHBondContact O-N 2.81Å; K266-T270 PolarHBondContact O-OG1 3.49Å |
| 267 | L | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 173.3 | -78.5 | 170.3 | 0 | 0 | 0 | 111.5 | W243 L246 Y247 A250 I254 P263 W264 T270 S271 V281 L284 | W243-L267 HydrophobicContact CH2-CD2 3.76Å; W243-L267 HydrophobicContact CZ3-CD2 3.99Å; L246-L267 HydrophobicContact CD2-CD2 3.56Å; L246-L267 HydrophobicContact CD2-CG 4.22Å; Y247-L267 HydrophobicContact CD2-CD2 4.04Å; A250-L267 HydrophobicContact CB-CD1 3.64Å; A250-L267 HydrophobicContact CB-CD2 3.86Å; A250-L267 HydrophobicContact CB-CG 3.64Å; I254-L267 HydrophobicContact CD1-CD1 3.58Å; P263-L267 WeakPolarHBondContact O-CB 3.48Å; P263-L267 WeakPolarHBondContact O-CG 3.34Å; P263-L267 PolarHBondContact O-N 2.96Å; W264-L267 HydrophobicContact CE3-CD1 4.33Å; W264-L267 PolarHBondContact O-N 2.89Å; L267-T270 PolarHBondContact O-N 3.43Å; L267-T270 PolarHBondContact O-OG1 3.33Å; L267-S271 WeakPolarHBondContact O-CB 3.44Å; L267-S271 PolarHBondContact O-N 2.66Å; L267-S271 PolarHBondContact O-OG 2.9Å; L267-V281 HydrophobicContact CB-CG1 4.39Å; L267-V281 HydrophobicContact CB-CG2 4.24Å; L267-V281 HydrophobicContact CD2-CG2 4.25Å; L267-L284 HydrophobicContact CD1-CD2 3.98Å |
| 268 | I | 89.1 | Confident | 87.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -53.6 | 178.3 | -66.8 | 167 | 0 | 0 | 0 | 109.7 | W261 W264 K265 T270 S271 V272 A301 D304 M305 N308 | W261-I268 HydrophobicContact CH2-CD1 4.26Å; W264-I268 WeakPolarHBondContact O-CB 3.48Å; W264-I268 VanDerWaalsContact O-CG1 3.26Å; W264-I268 WeakPolarHBondContact O-CG1 3.47Å; W264-I268 PolarHBondContact O-N 3.47Å; K265-I268 PolarHBondContact O-N 3.31Å; I268-T270 PolarHBondContact O-N 3.31Å; I268-T270 VanDerWaalsContact O-N 3.1Å; I268-S271 PolarHBondContact O-N 3.01Å; I268-S271 PolarHBondContact O-OG 2.84Å; I268-V272 HydrophobicContact CG2-CG2 4.46Å; I268-V272 WeakPolarHBondContact O-CG2 3.2Å; I268-V272 PolarHBondContact O-N 3.29Å; I268-A301 HydrophobicContact CD1-CB 4.05Å; I268-D304 HydrophobicContact CD1-CB 4.33Å; I268-M305 HydrophobicContact CB-SD 4.2Å; I268-M305 HydrophobicContact CG1-CB 4.34Å; I268-M305 HydrophobicContact CG1-SD 3.96Å; I268-M305 HydrophobicContact CG2-SD 3.86Å; I268-N308 WeakPolarHBondContact CG2-ND2 3.44Å |
| 269 | E | 88.2 | Confident | 87.1 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 41% | 0.407 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54 | -35.1 | 179.8 | -76.2 | 173.4 | 177 | 0 | 0 | 113.7 | K265 K266 | K265-E269 WeakPolarHBondContact CE-OE1 3.03Å; K265-E269 HydrophobicContact CG-CG 4.4Å; K265-E269 WeakPolarHBondContact CG-OE1 3.26Å; K265-E269 WeakPolarHBondContact O-CB 3.47Å; K265-E269 VanDerWaalsContact O-CG 3.25Å; K265-E269 WeakPolarHBondContact O-CG 3.28Å; K265-E269 PolarHBondContact O-N 3.41Å; K266-E269 IonicContact NZ-OE2 3.99Å; K266-E269 PolarHBondContact NZ-OE2 3.36Å |
| 270 | T | 86.6 | Confident | 87.2 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -96 | -27.1 | -175.2 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | A238 W243 L246 K266 L267 I268 R277 | A238-T270 HydrophobicContact CB-CG2 3.62Å; W243-T270 WeakPolarHBondContact CZ3-OG1 3.35Å; L246-T270 HydrophobicContact CD1-CG2 3.96Å; K266-T270 WeakPolarHBondContact O-CB 3.3Å; K266-T270 WeakPolarHBondContact O-CG2 3.4Å; K266-T270 PolarHBondContact O-N 2.81Å; K266-T270 PolarHBondContact O-OG1 3.49Å; L267-T270 PolarHBondContact O-N 3.43Å; L267-T270 PolarHBondContact O-OG1 3.33Å; I268-T270 PolarHBondContact O-N 3.31Å; I268-T270 VanDerWaalsContact O-N 3.1Å; T270-R277 PolarHBondContact O-NH1 2.72Å |
| 271 | S | 87.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.8 | -30.1 | -179.9 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | L267 I268 K273 D274 V278 M305 | L267-S271 WeakPolarHBondContact O-CB 3.44Å; L267-S271 PolarHBondContact O-N 2.66Å; L267-S271 PolarHBondContact O-OG 2.9Å; I268-S271 PolarHBondContact O-N 3.01Å; I268-S271 PolarHBondContact O-OG 2.84Å; S271-K273 PolarHBondContact O-N 3.35Å; S271-D274 PolarHBondContact O-N 3.14Å; S271-V278 WeakPolarHBondContact O-CG2 3.4Å; S271-M305 VanDerWaalsContact OG-CE 3.29Å; S271-M305 WeakPolarHBondContact OG-CE 3.41Å |
| 272 | V | 83.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -16.6 | -178.8 | 166.6 | 0 | 0 | 0 | 0 | 114 | I268 M305 N308 L312 | I268-V272 HydrophobicContact CG2-CG2 4.46Å; I268-V272 WeakPolarHBondContact O-CG2 3.2Å; I268-V272 PolarHBondContact O-N 3.29Å; V272-M305 HydrophobicContact CG2-CE 4.21Å; V272-M305 HydrophobicContact CG2-SD 4.23Å; V272-N308 HydrophobicContact CG2-CB 4.14Å; V272-L312 HydrophobicContact CB-CD1 4.4Å; V272-L312 HydrophobicContact CG1-CD1 2.93Å; V272-L312 HydrophobicContact CG1-CG 4.42Å |
| 273 | K | 79.9 | Confident | 87.3 | Confident | 136 Ų | 136 | 46.7 Ų | 46.7 | 59% | 0.591 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -18.2 | 176.2 | -59.2 | 178.9 | -170.6 | 169.5 | 0 | 114.8 | D241 S271 | D241-K273 IonicContact OD1-NZ 3.8Å; D241-K273 PolarHBondContact OD1-NZ 2.75Å; S271-K273 PolarHBondContact O-N 3.35Å |
| 274 | D | 82.7 | Confident | 87.3 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | trans | -149.3 | 124.9 | -170.8 | 174.8 | 6.1 | 0 | 0 | 0 | 111.6 | S271 Q276 R277 V278 | S271-D274 PolarHBondContact O-N 3.14Å; D274-Q276 VanDerWaalsContact C-N 3.26Å; D274-Q276 PolarHBondContact O-N 3.23Å; D274-Q276 PolarHBondContact OD1-N 3.48Å; D274-R277 HydrophobicContact CB-CB 4.33Å; D274-R277 HydrophobicContact CB-CG 3.81Å; D274-R277 WeakPolarHBondContact O-CB 3.36Å; D274-R277 PolarHBondContact O-N 2.89Å; D274-R277 IonicContact OD2-NE 2.65Å; D274-V278 WeakPolarHBondContact O-CG2 3.39Å; D274-V278 PolarHBondContact O-N 3.21Å | ||
| 275 | I | 82 | Confident | 87.2 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 41% | 0.41 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -53.3 | -40.7 | -178.9 | -63.5 | 171 | 0 | 0 | 0 | 112 | R277 V278 E279 M314 V317 | I275-R277 VanDerWaalsContact C-N 3.28Å; I275-R277 PolarHBondContact O-N 3.5Å; I275-V278 WeakPolarHBondContact O-CB 3.18Å; I275-V278 PolarHBondContact O-N 3.45Å; I275-E279 PolarHBondContact O-N 2.99Å; I275-M314 HydrophobicContact CB-CE 4.43Å; I275-M314 HydrophobicContact CD1-CE 4.28Å; I275-M314 HydrophobicContact CG1-CE 3.33Å; I275-V317 HydrophobicContact CD1-CG2 4.33Å; I275-V317 HydrophobicContact CG1-CG2 4.19Å; I275-V317 HydrophobicContact CG2-CB 4.46Å; I275-V317 HydrophobicContact CG2-CG1 3.75Å; I275-V317 HydrophobicContact CG2-CG2 3.77Å |
| 276 | Q | 85.1 | Confident | 87.2 | Confident | 135 Ų | 135 | 45.1 Ų | 45.1 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.9 | -31.6 | -179.1 | -64.8 | -175.3 | 4.9 | 0 | 0 | 112.1 | D274 K280 | D274-Q276 VanDerWaalsContact C-N 3.26Å; D274-Q276 PolarHBondContact O-N 3.23Å; D274-Q276 PolarHBondContact OD1-N 3.48Å; Q276-K280 WeakPolarHBondContact O-CG 3.24Å; Q276-K280 PolarHBondContact O-N 3.3Å |
| 277 | R | 87.7 | Confident | 87.2 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.2 | -41.8 | 175.2 | -57.9 | -178.4 | -174.1 | -176.7 | -2 | 110.1 | D241 W243 T270 D274 I275 E279 K280 V281 | D241-R277 IonicContact OD1-NH1 2.74Å; D241-R277 PolarHBondContact OD1-NH1 3.24Å; D241-R277 VanDerWaalsContact OD1-NH1 3.14Å; D241-R277 IonicContact OD2-CZ 2.87Å; D241-R277 IonicContact OD2-NH1 3.65Å; D241-R277 PolarHBondContact OD2-NH1 3.01Å; D241-R277 VanDerWaalsContact OD2-NH1 3.09Å; D241-R277 IonicContact OD2-NH2 3.55Å; D241-R277 PolarHBondContact OD2-NH2 2.98Å; W243-R277 HydrophobicContact CD2-CB 4.14Å; W243-R277 VanDerWaalsContact CD2-CD 3.5Å; W243-R277 HydrophobicContact CD2-CG 3.69Å; W243-R277 HydrophobicContact CE3-CB 4.43Å; W243-R277 HydrophobicContact CE3-CG 4.27Å; W243-R277 HydrophobicContact CG-CG 3.9Å; W243-R277 HydrophobicContact CH2-CB 4.08Å; W243-R277 HydrophobicContact CZ2-CB 3.72Å; W243-R277 HydrophobicContact CZ2-CG 4.12Å; W243-R277 HydrophobicContact CZ3-CB 4.41Å; T270-R277 PolarHBondContact O-NH1 2.72Å; D274-R277 HydrophobicContact CB-CB 4.33Å; D274-R277 HydrophobicContact CB-CG 3.81Å; D274-R277 WeakPolarHBondContact O-CB 3.36Å; D274-R277 PolarHBondContact O-N 2.89Å; D274-R277 IonicContact OD2-NE 2.65Å; I275-R277 VanDerWaalsContact C-N 3.28Å; I275-R277 PolarHBondContact O-N 3.5Å; R277-E279 PolarHBondContact O-N 3.42Å; R277-K280 PolarHBondContact O-N 3.11Å; R277-V281 WeakPolarHBondContact O-CG2 3.28Å; R277-V281 PolarHBondContact O-N 3.13Å |
| 278 | V | 85.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.2 | -51.4 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | S271 D274 I275 K280 V281 M282 M305 L309 | S271-V278 WeakPolarHBondContact O-CG2 3.4Å; D274-V278 WeakPolarHBondContact O-CG2 3.39Å; D274-V278 PolarHBondContact O-N 3.21Å; I275-V278 WeakPolarHBondContact O-CB 3.18Å; I275-V278 PolarHBondContact O-N 3.45Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.27Å; V278-V281 PolarHBondContact O-N 3.03Å; V278-M282 HydrophobicContact CG1-CG 4.3Å; V278-M282 WeakPolarHBondContact O-CB 3.25Å; V278-M282 WeakPolarHBondContact O-CG 3.4Å; V278-M282 PolarHBondContact O-N 3.4Å; V278-M305 HydrophobicContact CB-CE 3.83Å; V278-M305 HydrophobicContact CG1-CE 3.6Å; V278-M305 HydrophobicContact CG2-CE 3.59Å; V278-L309 HydrophobicContact CB-CD2 4.47Å; V278-L309 HydrophobicContact CG1-CD1 3.7Å; V278-L309 HydrophobicContact CG1-CD2 3.82Å; V278-L309 HydrophobicContact CG1-CG 4.36Å; V278-L309 HydrophobicContact CG2-CD2 3.81Å |
| 279 | E | 86 | Confident | 87 | Confident | 113 Ų | 113 | 48.9 Ų | 48.9 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -43 | 179.6 | -71.8 | 178.8 | 174.4 | 0 | 0 | 112.2 | I275 R277 M282 S283 V317 | I275-E279 PolarHBondContact O-N 2.99Å; R277-E279 PolarHBondContact O-N 3.42Å; E279-M282 PolarHBondContact O-N 2.9Å; E279-S283 WeakPolarHBondContact O-CB 3.16Å; E279-S283 PolarHBondContact O-N 2.87Å; E279-V317 HydrophobicContact CG-CG1 4.05Å |
| 280 | K | 88.6 | Confident | 87 | Confident | 94 Ų | 94 | 50 Ų | 50 | 41% | 0.409 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.8 | -77 | -178.5 | 177.8 | -180 | 0 | 111.9 | Y247 Q276 R277 V278 S283 L284 | Y247-K280 HydrophobicContact CE2-CB 4.1Å; Q276-K280 WeakPolarHBondContact O-CG 3.24Å; Q276-K280 PolarHBondContact O-N 3.3Å; R277-K280 PolarHBondContact O-N 3.11Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 3.27Å; K280-S283 PolarHBondContact O-N 3.32Å; K280-S283 PolarHBondContact O-OG 3.15Å; K280-L284 PolarHBondContact O-N 3.04Å |
| 281 | V | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | W243 L267 R277 V278 S283 L284 I285 | W243-V281 HydrophobicContact CH2-CG2 3.4Å; W243-V281 HydrophobicContact CZ2-CG2 4Å; W243-V281 HydrophobicContact CZ3-CG2 4.45Å; L267-V281 HydrophobicContact CB-CG1 4.39Å; L267-V281 HydrophobicContact CB-CG2 4.24Å; L267-V281 HydrophobicContact CD2-CG2 4.25Å; R277-V281 WeakPolarHBondContact O-CG2 3.28Å; R277-V281 PolarHBondContact O-N 3.13Å; V278-V281 PolarHBondContact O-N 3.03Å; V281-S283 VanDerWaalsContact C-N 3.29Å; V281-S283 PolarHBondContact O-N 3.26Å; V281-L284 WeakPolarHBondContact O-CB 3.41Å; V281-L284 PolarHBondContact O-N 3.14Å; V281-I285 HydrophobicContact CG1-CD1 3.8Å; V281-I285 HydrophobicContact CG1-CG1 4.24Å; V281-I285 WeakPolarHBondContact O-CG1 3.46Å; V281-I285 PolarHBondContact O-N 2.94Å |
| 282 | M | 88.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.6 | -73 | -62.2 | -68.3 | 0 | 0 | 111.8 | V278 E279 L284 I285 N286 M305 | V278-M282 HydrophobicContact CG1-CG 4.3Å; V278-M282 WeakPolarHBondContact O-CB 3.25Å; V278-M282 WeakPolarHBondContact O-CG 3.4Å; V278-M282 PolarHBondContact O-N 3.4Å; E279-M282 PolarHBondContact O-N 2.9Å; M282-L284 VanDerWaalsContact C-N 3.33Å; M282-L284 PolarHBondContact O-N 3.45Å; M282-I285 PolarHBondContact O-N 3.25Å; M282-I285 HydrophobicContact SD-CD1 4.18Å; M282-N286 WeakPolarHBondContact O-CB 3.48Å; M282-N286 VanDerWaalsContact O-CG 3.27Å; M282-N286 PolarHBondContact O-N 3.05Å; M282-N286 PolarHBondContact O-ND2 2.76Å; M282-M305 HydrophobicContact CG-CG 4.46Å; M282-M305 HydrophobicContact SD-CB 4.2Å; M282-M305 HydrophobicContact SD-CG 3.75Å |
| 283 | S | 89 | Confident | 87 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 173.9 | 80 | 0 | 0 | 0 | 0 | 112.1 | E279 K280 V281 N286 I287 | E279-S283 WeakPolarHBondContact O-CB 3.16Å; E279-S283 PolarHBondContact O-N 2.87Å; K280-S283 PolarHBondContact O-N 3.32Å; K280-S283 PolarHBondContact O-OG 3.15Å; V281-S283 VanDerWaalsContact C-N 3.29Å; V281-S283 PolarHBondContact O-N 3.26Å; S283-N286 PolarHBondContact O-N 2.8Å; S283-I287 VanDerWaalsContact O-CG1 3.27Å; S283-I287 WeakPolarHBondContact O-CG1 3.4Å; S283-I287 PolarHBondContact O-N 2.97Å |
| 284 | L | 90.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 177.6 | -177.3 | 65.1 | 0 | 0 | 0 | 111.7 | Y247 K251 I254 W264 L267 K280 V281 M282 N286 I287 A288 | Y247-L284 HydrophobicContact CE2-CB 4.49Å; Y247-L284 HydrophobicContact CE2-CD2 4.06Å; K251-L284 HydrophobicContact CB-CD2 4.33Å; K251-L284 HydrophobicContact CD-CD1 4.44Å; K251-L284 HydrophobicContact CG-CD1 3.99Å; I254-L284 HydrophobicContact CD1-CD2 4.11Å; W264-L284 HydrophobicContact CH2-CG 4.33Å; W264-L284 HydrophobicContact CZ3-CD2 4.4Å; W264-L284 HydrophobicContact CZ3-CG 4.4Å; L267-L284 HydrophobicContact CD1-CD2 3.98Å; K280-L284 PolarHBondContact O-N 3.04Å; V281-L284 WeakPolarHBondContact O-CB 3.41Å; V281-L284 PolarHBondContact O-N 3.14Å; M282-L284 VanDerWaalsContact C-N 3.33Å; M282-L284 PolarHBondContact O-N 3.45Å; L284-N286 VanDerWaalsContact C-N 3.35Å; L284-I287 PolarHBondContact O-N 3.39Å; L284-A288 WeakPolarHBondContact O-CB 3.43Å; L284-A288 PolarHBondContact O-N 3.06Å |
| 285 | I | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 174 | -71.1 | 170 | 0 | 0 | 0 | 109.9 | W264 V281 M282 I287 A288 I289 A301 R302 M305 | W264-I285 HydrophobicContact CE3-CG1 4.02Å; W264-I285 HydrophobicContact CH2-CG1 4.06Å; W264-I285 HydrophobicContact CZ3-CB 4.42Å; W264-I285 HydrophobicContact CZ3-CD1 4.47Å; W264-I285 HydrophobicContact CZ3-CG1 3.42Å; W264-I285 VanDerWaalsContact CZ3-CG1 3.42Å; V281-I285 HydrophobicContact CG1-CD1 3.8Å; V281-I285 HydrophobicContact CG1-CG1 4.24Å; V281-I285 WeakPolarHBondContact O-CG1 3.46Å; V281-I285 PolarHBondContact O-N 2.94Å; M282-I285 PolarHBondContact O-N 3.25Å; M282-I285 HydrophobicContact SD-CD1 4.18Å; I285-I287 PolarHBondContact O-N 3.46Å; I285-A288 PolarHBondContact O-N 2.86Å; I285-I289 HydrophobicContact CG2-CD1 3.64Å; I285-I289 HydrophobicContact CG2-CG1 4.34Å; I285-I289 VanDerWaalsContact O-CG1 3.32Å; I285-I289 WeakPolarHBondContact O-CG1 3.28Å; I285-I289 PolarHBondContact O-N 3.01Å; I285-A301 HydrophobicContact CD1-CB 4.2Å; I285-A301 HydrophobicContact CG1-CB 4.4Å; I285-R302 HydrophobicContact CG2-CB 3.69Å; I285-R302 HydrophobicContact CG2-CG 4.25Å; I285-M305 HydrophobicContact CD1-CB 4.42Å |
| 286 | N | 89.1 | Confident | 87.8 | Confident | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | -179.9 | -72.2 | -22.7 | 0 | 0 | 0 | 112.4 | M282 S283 L284 I289 T290 | M282-N286 WeakPolarHBondContact O-CB 3.48Å; M282-N286 VanDerWaalsContact O-CG 3.27Å; M282-N286 PolarHBondContact O-N 3.05Å; M282-N286 PolarHBondContact O-ND2 2.76Å; S283-N286 PolarHBondContact O-N 2.8Å; L284-N286 VanDerWaalsContact C-N 3.35Å; N286-I289 PolarHBondContact O-N 3.25Å; N286-T290 WeakPolarHBondContact O-CB 3.38Å; N286-T290 PolarHBondContact O-N 3.18Å; N286-T290 PolarHBondContact O-OG1 3.47Å |
| 287 | I | 90.2 | Very high | 88.1 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 174 | -68.1 | 163.4 | 0 | 0 | 0 | 110.4 | S283 L284 I285 T290 N291 | S283-I287 VanDerWaalsContact O-CG1 3.27Å; S283-I287 WeakPolarHBondContact O-CG1 3.4Å; S283-I287 PolarHBondContact O-N 2.97Å; L284-I287 PolarHBondContact O-N 3.39Å; I285-I287 PolarHBondContact O-N 3.46Å; I287-T290 PolarHBondContact O-N 2.91Å; I287-N291 VanDerWaalsContact O-CG 3.29Å; I287-N291 PolarHBondContact O-N 2.86Å; I287-N291 PolarHBondContact O-ND2 3.12Å |
| 288 | A | 89.3 | Confident | 88.3 | Confident | 7 Ų | 7 | 53 Ų | 53 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W264 L284 I285 N291 H292 P298 | W264-A288 HydrophobicContact CH2-CB 3.87Å; W264-A288 HydrophobicContact CZ2-CB 3.91Å; L284-A288 WeakPolarHBondContact O-CB 3.43Å; L284-A288 PolarHBondContact O-N 3.06Å; I285-A288 PolarHBondContact O-N 2.86Å; A288-N291 PolarHBondContact O-N 3.45Å; A288-H292 PolarHBondContact O-N 2.92Å; A288-P298 HydrophobicContact CB-CB 4.01Å; A288-P298 HydrophobicContact CB-CG 4.1Å |
| 289 | I | 88.2 | Confident | 88.5 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 175 | -68.7 | 169.8 | 0 | 0 | 0 | 111.1 | I285 N286 N291 H292 P293 P298 Q299 R302 | I285-I289 HydrophobicContact CG2-CD1 3.64Å; I285-I289 HydrophobicContact CG2-CG1 4.34Å; I285-I289 VanDerWaalsContact O-CG1 3.32Å; I285-I289 WeakPolarHBondContact O-CG1 3.28Å; I285-I289 PolarHBondContact O-N 3.01Å; N286-I289 PolarHBondContact O-N 3.25Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 3.47Å; I289-H292 CarbonylContact O-C 3.31Å; I289-H292 VanDerWaalsContact O-C 3.31Å; I289-H292 PolarHBondContact O-N 3.4Å; I289-P293 WeakPolarHBondContact O-CA 2.85Å; I289-P293 WeakPolarHBondContact O-CD 3.07Å; I289-P298 HydrophobicContact CG1-CB 3.77Å; I289-Q299 HydrophobicContact CG1-CG 4.35Å; I289-R302 HydrophobicContact CD1-CB 4.13Å |
| 290 | T | 88.6 | Confident | 88.7 | Confident | 111 Ų | 111 | 48.5 Ų | 48.5 | 68% | 0.681 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.6 | -40.6 | 178.8 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | N286 I287 | N286-T290 WeakPolarHBondContact O-CB 3.38Å; N286-T290 PolarHBondContact O-N 3.18Å; N286-T290 PolarHBondContact O-OG1 3.47Å; I287-T290 PolarHBondContact O-N 2.91Å |
| 291 | N | 88.7 | Confident | 88.8 | Confident | 104 Ų | 104 | 44 Ų | 44 | 56% | 0.556 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -75.7 | -35.1 | 178.6 | -67 | -17.9 | 0 | 0 | 0 | 112.5 | I287 A288 I289 | I287-N291 VanDerWaalsContact O-CG 3.29Å; I287-N291 PolarHBondContact O-N 2.86Å; I287-N291 PolarHBondContact O-ND2 3.12Å; A288-N291 PolarHBondContact O-N 3.45Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 3.47Å |
| 292 | H | 85.7 | Confident | 88.8 | Confident | 78 Ų | 78 | 44.7 Ų | 44.7 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | trans | -137.2 | 71.6 | -172.8 | -55.8 | -68.2 | 0 | 0 | 0 | 111.4 | A288 I289 Y294 N295 | A288-H292 PolarHBondContact O-N 2.92Å; I289-H292 CarbonylContact O-C 3.31Å; I289-H292 VanDerWaalsContact O-C 3.31Å; I289-H292 PolarHBondContact O-N 3.4Å; H292-Y294 PolarHBondContact O-N 3.44Å; H292-N295 HydrophobicContact CB-CB 4.02Å; H292-N295 PolarHBondContact O-N 2.89Å | ||
| 293 | P | 82 | Confident | 88.9 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 38% | 0.377 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.3 | -171.5 | 23.2 | -33.7 | 0 | 0 | 0 | 114.2 | I289 Q299 | I289-P293 WeakPolarHBondContact O-CA 2.85Å; I289-P293 WeakPolarHBondContact O-CD 3.07Å; P293-Q299 PolarHBondContact O-NE2 3.06Å |
| 294 | Y | 84 | Confident | 88.9 | Confident | 183 Ų | 183 | 43.1 Ų | 43.1 | 72% | 0.718 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 2.2 | -178.2 | -59.5 | -73 | 0 | 0 | 0 | 114.2 | H292 F333 | H292-Y294 PolarHBondContact O-N 3.44Å; Y294-F333 WeakPolarHBondContact O-CE1 3.43Å; Y294-F333 WeakPolarHBondContact O-CZ 3.45Å |
| 295 | N | 88.7 | Confident | 88.8 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | trans | -80.1 | 131 | 176.4 | -77.7 | 35.3 | 0 | 0 | 0 | 109.5 | D259 H292 P298 Q299 | D259-N295 WeakPolarHBondContact OD1-CA 3.46Å; D259-N295 VanDerWaalsContact OD1-CB 3.31Å; D259-N295 WeakPolarHBondContact OD1-CB 3.1Å; D259-N295 PolarHBondContact OD2-ND2 3.06Å; H292-N295 HydrophobicContact CB-CB 4.02Å; H292-N295 PolarHBondContact O-N 2.89Å; N295-P298 HydrophobicContact CB-CG 4.24Å; N295-Q299 WeakPolarHBondContact O-CG 3.24Å | ||
| 296 | R | 89.3 | Confident | 88.6 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.9 | -39.9 | -174.6 | 179.3 | 177.1 | 168.4 | -84.3 | 4.3 | 111.2 | D259 Q299 L300 Y329 F333 D342 | D259-R296 PolarHBondContact OD1-N 2.86Å; R296-Q299 PolarHBondContact O-N 3.25Å; R296-L300 WeakPolarHBondContact O-CB 3.42Å; R296-L300 PolarHBondContact O-N 3.09Å; R296-Y329 WeakPolarHBondContact CG-OH 3.45Å; R296-F333 HydrophobicContact CB-CE1 4.08Å; R296-F333 HydrophobicContact CB-CZ 4.11Å; R296-D342 IonicContact CZ-OD1 3.69Å; R296-D342 IonicContact CZ-OD2 2.78Å; R296-D342 IonicContact NE-OD1 2.74Å; R296-D342 IonicContact NE-OD2 3.59Å; R296-D342 PolarHBondContact NE-OD2 3.36Å; R296-D342 IonicContact NH2-OD1 3.47Å; R296-D342 PolarHBondContact NH2-OD1 2.93Å; R296-D342 IonicContact NH2-OD2 2.8Å; R296-D342 PolarHBondContact NH2-OD2 2.94Å |
| 297 | G | 89.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.3 | -56.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | D259 Q299 L300 A301 | D259-G297 PolarHBondContact OD1-N 3.38Å; G297-Q299 PolarHBondContact O-N 2.96Å; G297-L300 PolarHBondContact O-N 2.92Å; G297-A301 WeakPolarHBondContact O-CB 3.39Å; G297-A301 PolarHBondContact O-N 2.92Å |
| 298 | P | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | -178.2 | -22.4 | 34.1 | 0 | 0 | 0 | 113.3 | P258 W264 A288 I289 N295 A301 R302 | P258-P298 HydrophobicContact CB-CG 4.16Å; P258-P298 WeakPolarHBondContact O-CD 3.03Å; W264-P298 HydrophobicContact CZ2-CB 4.06Å; W264-P298 HydrophobicContact CZ2-CG 3.94Å; A288-P298 HydrophobicContact CB-CB 4.01Å; A288-P298 HydrophobicContact CB-CG 4.1Å; I289-P298 HydrophobicContact CG1-CB 3.77Å; N295-P298 HydrophobicContact CB-CG 4.24Å; P298-A301 PolarHBondContact O-N 3.36Å; P298-R302 PolarHBondContact O-N 3.3Å |
| 299 | Q | 90.3 | Very high | 88.1 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -42.1 | 179.2 | -68.6 | -78.2 | 13.2 | 0 | 0 | 111.6 | I289 P293 N295 R296 G297 R302 L303 Y329 F333 | I289-Q299 HydrophobicContact CG1-CG 4.35Å; P293-Q299 PolarHBondContact O-NE2 3.06Å; N295-Q299 WeakPolarHBondContact O-CG 3.24Å; R296-Q299 PolarHBondContact O-N 3.25Å; G297-Q299 PolarHBondContact O-N 2.96Å; Q299-R302 WeakPolarHBondContact O-CB 3.31Å; Q299-R302 PolarHBondContact O-N 2.89Å; Q299-L303 PolarHBondContact O-N 2.98Å; Q299-Y329 HydrophobicContact CB-CD2 3.73Å; Q299-Y329 HydrophobicContact CB-CE2 3.89Å; Q299-F333 HydrophobicContact CB-CE2 4.07Å; Q299-F333 HydrophobicContact CG-CE2 4.07Å |
| 300 | L | 90.6 | Very high | 87.8 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 174.5 | -170.9 | 64.9 | 0 | 0 | 0 | 111.4 | W261 R296 G297 R302 L303 D304 Y329 D342 L346 | W261-L300 HydrophobicContact CH2-CD2 4.34Å; W261-L300 HydrophobicContact CH2-CG 4.2Å; W261-L300 HydrophobicContact CZ3-CB 4.22Å; W261-L300 HydrophobicContact CZ3-CD2 4.23Å; W261-L300 HydrophobicContact CZ3-CG 4.19Å; R296-L300 WeakPolarHBondContact O-CB 3.42Å; R296-L300 PolarHBondContact O-N 3.09Å; G297-L300 PolarHBondContact O-N 2.92Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 2.89Å; L300-L303 PolarHBondContact O-N 3Å; L300-L303 VanDerWaalsContact O-N 3.14Å; L300-D304 WeakPolarHBondContact O-CB 3.31Å; L300-D304 PolarHBondContact O-N 2.98Å; L300-Y329 HydrophobicContact CB-CE2 4.36Å; L300-D342 HydrophobicContact CD1-CB 4.19Å; L300-L346 HydrophobicContact CD1-CD1 3.76Å |
| 301 | A | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W261 W264 I268 I285 G297 P298 M305 | W261-A301 HydrophobicContact CH2-CB 4.49Å; W261-A301 HydrophobicContact CZ3-CB 3.93Å; W264-A301 HydrophobicContact CB-CB 4.09Å; W264-A301 HydrophobicContact CD2-CB 3.92Å; W264-A301 HydrophobicContact CE3-CB 3.99Å; W264-A301 HydrophobicContact CG-CB 3.98Å; I268-A301 HydrophobicContact CD1-CB 4.05Å; I285-A301 HydrophobicContact CD1-CB 4.2Å; I285-A301 HydrophobicContact CG1-CB 4.4Å; G297-A301 WeakPolarHBondContact O-CB 3.39Å; G297-A301 PolarHBondContact O-N 2.92Å; P298-A301 PolarHBondContact O-N 3.36Å; A301-M305 WeakPolarHBondContact O-CB 3.3Å; A301-M305 PolarHBondContact O-N 3.45Å |
| 302 | R | 91.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 173.8 | -172.8 | 167.9 | 59.6 | 156.8 | 2.4 | 112 | I285 I289 P298 Q299 L300 Y306 F325 D328 | I285-R302 HydrophobicContact CG2-CB 3.69Å; I285-R302 HydrophobicContact CG2-CG 4.25Å; I289-R302 HydrophobicContact CD1-CB 4.13Å; P298-R302 PolarHBondContact O-N 3.3Å; Q299-R302 WeakPolarHBondContact O-CB 3.31Å; Q299-R302 PolarHBondContact O-N 2.89Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 2.89Å; R302-Y306 PolarHBondContact O-N 3.42Å; R302-F325 HydrophobicContact CG-CD2 3.97Å; R302-F325 HydrophobicContact CG-CE2 4.1Å; R302-F325 HydrophobicContact CG-CG 4.26Å; R302-F325 HydrophobicContact CG-CZ 4.49Å; R302-F325 VanDerWaalsContact CZ-CD1 3.46Å; R302-D328 IonicContact CZ-OD2 3.45Å; R302-D328 IonicContact NH1-OD2 3.88Å; R302-D328 PolarHBondContact NH1-OD2 3.08Å; R302-D328 IonicContact NH2-OD2 3.31Å; R302-D328 PolarHBondContact NH2-OD2 3.49Å |
| 303 | L | 89.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.8 | -44.6 | -179 | -67.5 | 173.4 | 0 | 0 | 0 | 112.1 | Q299 L300 Y306 A307 F325 L326 Y329 L343 L346 | Q299-L303 PolarHBondContact O-N 2.98Å; L300-L303 PolarHBondContact O-N 3Å; L300-L303 VanDerWaalsContact O-N 3.14Å; L303-Y306 PolarHBondContact O-N 3.31Å; L303-A307 PolarHBondContact O-N 3.09Å; L303-F325 HydrophobicContact CD2-CB 3.68Å; L303-L326 HydrophobicContact CD1-CD2 4.07Å; L303-L326 HydrophobicContact CD2-CD2 3.68Å; L303-L326 HydrophobicContact CD2-CG 3.96Å; L303-Y329 HydrophobicContact CD1-CD2 3.84Å; L303-Y329 HydrophobicContact CD1-CG 3.99Å; L303-L343 HydrophobicContact CD1-CD2 3.79Å; L303-L346 HydrophobicContact CB-CD1 4.01Å; L303-L346 HydrophobicContact CD1-CD1 4.32Å |
| 304 | D | 89 | Confident | 86.3 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 16% | 0.16 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 179.2 | -169.2 | 70.2 | 0 | 0 | 0 | 111.6 | W261 I268 L300 Y306 A307 N308 | W261-D304 HydrophobicContact CH2-CB 4.03Å; I268-D304 HydrophobicContact CD1-CB 4.33Å; L300-D304 WeakPolarHBondContact O-CB 3.31Å; L300-D304 PolarHBondContact O-N 2.98Å; D304-Y306 VanDerWaalsContact C-N 3.33Å; D304-Y306 PolarHBondContact O-N 2.91Å; D304-A307 PolarHBondContact O-N 3.14Å; D304-N308 PolarHBondContact O-N 3.27Å; D304-N308 PolarHBondContact O-ND2 2.85Å; D304-N308 PolarHBondContact OD2-ND2 3.38Å |
| 305 | M | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 173.2 | -172.3 | 65.3 | -175.7 | 0 | 0 | 111.3 | I268 S271 V272 V278 M282 I285 A301 N308 L309 | I268-M305 HydrophobicContact CB-SD 4.2Å; I268-M305 HydrophobicContact CG1-CB 4.34Å; I268-M305 HydrophobicContact CG1-SD 3.96Å; I268-M305 HydrophobicContact CG2-SD 3.86Å; S271-M305 VanDerWaalsContact OG-CE 3.29Å; S271-M305 WeakPolarHBondContact OG-CE 3.41Å; V272-M305 HydrophobicContact CG2-CE 4.21Å; V272-M305 HydrophobicContact CG2-SD 4.23Å; V278-M305 HydrophobicContact CB-CE 3.83Å; V278-M305 HydrophobicContact CG1-CE 3.6Å; V278-M305 HydrophobicContact CG2-CE 3.59Å; M282-M305 HydrophobicContact CG-CG 4.46Å; M282-M305 HydrophobicContact SD-CB 4.2Å; M282-M305 HydrophobicContact SD-CG 3.75Å; I285-M305 HydrophobicContact CD1-CB 4.42Å; A301-M305 WeakPolarHBondContact O-CB 3.3Å; A301-M305 PolarHBondContact O-N 3.45Å; M305-N308 PolarHBondContact O-N 3.43Å; M305-L309 HydrophobicContact CE-CD1 4.35Å; M305-L309 HydrophobicContact CE-CD2 4.29Å; M305-L309 HydrophobicContact CE-CG 4.34Å; M305-L309 HydrophobicContact CG-CD1 4.26Å; M305-L309 VanDerWaalsContact O-CG 3.27Å; M305-L309 WeakPolarHBondContact O-CG 3.42Å; M305-L309 PolarHBondContact O-N 3.25Å |
| 306 | Y | 86.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 179.1 | -168.3 | -90 | 0 | 0 | 0 | 112.4 | R302 L303 D304 N308 L309 L310 P322 V350 | R302-Y306 PolarHBondContact O-N 3.42Å; L303-Y306 PolarHBondContact O-N 3.31Å; D304-Y306 VanDerWaalsContact C-N 3.33Å; D304-Y306 PolarHBondContact O-N 2.91Å; Y306-N308 VanDerWaalsContact C-N 3.34Å; Y306-N308 PolarHBondContact O-N 3.26Å; Y306-L309 PolarHBondContact O-N 3.34Å; Y306-L310 HydrophobicContact CD1-CD1 3.7Å; Y306-L310 HydrophobicContact CD1-CG 4.08Å; Y306-L310 HydrophobicContact CE1-CD1 3.28Å; Y306-L310 HydrophobicContact CE1-CD2 4.27Å; Y306-L310 HydrophobicContact CE1-CG 3.64Å; Y306-L310 PolarHBondContact O-N 3.23Å; Y306-P322 HydrophobicContact CD1-CB 3.84Å; Y306-P322 HydrophobicContact CE1-CB 3.31Å; Y306-P322 HydrophobicContact CE1-CG 3.65Å; Y306-P322 HydrophobicContact CE2-CB 4.34Å; Y306-P322 WeakPolarHBondContact OH-CD 3.27Å; Y306-P322 WeakPolarHBondContact OH-CG 3.37Å; Y306-V350 HydrophobicContact CD1-CB 4.48Å; Y306-V350 HydrophobicContact CD1-CG1 3.84Å; Y306-V350 HydrophobicContact CD1-CG2 4.49Å; Y306-V350 HydrophobicContact CE1-CG1 4.19Å |
| 307 | A | 86.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L303 D304 L310 Q311 L346 M349 V350 | L303-A307 PolarHBondContact O-N 3.09Å; D304-A307 PolarHBondContact O-N 3.14Å; A307-L310 PolarHBondContact O-N 2.7Å; A307-Q311 PolarHBondContact O-N 2.92Å; A307-Q311 VanDerWaalsContact O-N 3.14Å; A307-L346 HydrophobicContact CB-CD2 4.34Å; A307-M349 HydrophobicContact CB-CB 4.03Å; A307-M349 HydrophobicContact CB-CE 4.31Å; A307-V350 HydrophobicContact CB-CG2 3.95Å |
| 308 | N | 85.4 | Confident | 81.4 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.4 | -72.6 | -51.3 | 0 | 0 | 0 | 112.4 | I268 V272 D304 M305 Y306 Q311 L312 | I268-N308 WeakPolarHBondContact CG2-ND2 3.44Å; V272-N308 HydrophobicContact CG2-CB 4.14Å; D304-N308 PolarHBondContact O-N 3.27Å; D304-N308 PolarHBondContact O-ND2 2.85Å; D304-N308 PolarHBondContact OD2-ND2 3.38Å; M305-N308 PolarHBondContact O-N 3.43Å; Y306-N308 VanDerWaalsContact C-N 3.34Å; Y306-N308 PolarHBondContact O-N 3.26Å; N308-Q311 PolarHBondContact O-N 3.23Å; N308-L312 PolarHBondContact O-N 3.43Å |
| 309 | L | 85.4 | Confident | 80 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 177.1 | -70.3 | 171.5 | 0 | 0 | 0 | 112.9 | V278 M305 Y306 L312 E313 M314 | V278-L309 HydrophobicContact CB-CD2 4.47Å; V278-L309 HydrophobicContact CG1-CD1 3.7Å; V278-L309 HydrophobicContact CG1-CD2 3.82Å; V278-L309 HydrophobicContact CG1-CG 4.36Å; V278-L309 HydrophobicContact CG2-CD2 3.81Å; M305-L309 HydrophobicContact CE-CD1 4.35Å; M305-L309 HydrophobicContact CE-CD2 4.29Å; M305-L309 HydrophobicContact CE-CG 4.34Å; M305-L309 HydrophobicContact CG-CD1 4.26Å; M305-L309 VanDerWaalsContact O-CG 3.27Å; M305-L309 WeakPolarHBondContact O-CG 3.42Å; M305-L309 PolarHBondContact O-N 3.25Å; Y306-L309 PolarHBondContact O-N 3.34Å; L309-L312 PolarHBondContact O-N 2.97Å; L309-E313 PolarHBondContact O-N 2.72Å; L309-M314 HydrophobicContact CD2-CB 4.05Å; L309-M314 PolarHBondContact O-N 2.85Å |
| 310 | L | 83 | Confident | 79 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.8 | -85 | 174.9 | 0 | 0 | 0 | 112.1 | Y306 A307 L312 E313 H315 M349 V350 | Y306-L310 HydrophobicContact CD1-CD1 3.7Å; Y306-L310 HydrophobicContact CD1-CG 4.08Å; Y306-L310 HydrophobicContact CE1-CD1 3.28Å; Y306-L310 HydrophobicContact CE1-CD2 4.27Å; Y306-L310 HydrophobicContact CE1-CG 3.64Å; Y306-L310 PolarHBondContact O-N 3.23Å; A307-L310 PolarHBondContact O-N 2.7Å; L310-L312 PolarHBondContact O-N 2.6Å; L310-E313 PolarHBondContact O-N 2.89Å; L310-H315 HydrophobicContact CD2-CB 3.63Å; L310-H315 HydrophobicContact CG-CB 4.28Å; L310-M349 WeakPolarHBondContact CD1-O 3.48Å; L310-V350 WeakPolarHBondContact CD1-O 3.37Å |
| 311 | Q | 81 | Confident | 78.3 | Confident | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.7 | -25.8 | 177.6 | -74.9 | -170.1 | -12.6 | 0 | 0 | 113.3 | A307 N308 M349 | A307-Q311 PolarHBondContact O-N 2.92Å; A307-Q311 VanDerWaalsContact O-N 3.14Å; N308-Q311 PolarHBondContact O-N 3.23Å; Q311-M349 VanDerWaalsContact NE2-CE 3.34Å |
| 312 | L | 82 | Confident | 77.9 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 48% | 0.482 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8 | 177.6 | -66 | 168.1 | 0 | 0 | 0 | 113.5 | V272 N308 L309 L310 M314 | V272-L312 HydrophobicContact CB-CD1 4.4Å; V272-L312 HydrophobicContact CG1-CD1 2.93Å; V272-L312 HydrophobicContact CG1-CG 4.42Å; N308-L312 PolarHBondContact O-N 3.43Å; L309-L312 PolarHBondContact O-N 2.97Å; L310-L312 PolarHBondContact O-N 2.6Å; L312-M314 HydrophobicContact CB-CG 4.23Å; L312-M314 HydrophobicContact CB-SD 4.28Å; L312-M314 PolarHBondContact O-N 3.1Å; L312-M314 VanDerWaalsContact O-N 3.15Å |
| 313 | E | 75.8 | Confident | 77.6 | Confident | 165 Ų | 165 | 55.9 Ų | 55.9 | 77% | 0.771 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 19.5 | -179.8 | -55.6 | -177.8 | 168.5 | 0 | 0 | 114.5 | L309 L310 | L309-E313 PolarHBondContact O-N 2.72Å; L310-E313 PolarHBondContact O-N 2.89Å |
| 314 | M | 74.2 | Confident | 77.5 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | trans | -91.6 | 8.3 | -178.4 | -65.1 | 177.7 | 68.3 | 0 | 0 | 114.1 | I275 L309 L312 L316 V317 | I275-M314 HydrophobicContact CB-CE 4.43Å; I275-M314 HydrophobicContact CD1-CE 4.28Å; I275-M314 HydrophobicContact CG1-CE 3.33Å; L309-M314 HydrophobicContact CD2-CB 4.05Å; L309-M314 PolarHBondContact O-N 2.85Å; L312-M314 HydrophobicContact CB-CG 4.23Å; L312-M314 HydrophobicContact CB-SD 4.28Å; L312-M314 PolarHBondContact O-N 3.1Å; L312-M314 VanDerWaalsContact O-N 3.15Å; M314-L316 PolarHBondContact O-N 3.43Å; M314-L316 VanDerWaalsContact O-N 3.11Å; M314-V317 WeakPolarHBondContact O-CB 3.33Å; M314-V317 WeakPolarHBondContact O-CG2 3.25Å; M314-V317 PolarHBondContact O-N 3.21Å | ||
| 315 | H | 65.1 | Low | 77.4 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.338 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -59.2 | -25.7 | -171.3 | 65.6 | -77.3 | 0 | 0 | 0 | 115.2 | L310 V317 C318 | L310-H315 HydrophobicContact CD2-CB 3.63Å; L310-H315 HydrophobicContact CG-CB 4.28Å; H315-V317 PolarHBondContact O-N 3.47Å; H315-V317 VanDerWaalsContact O-N 3.07Å; H315-C318 PolarHBondContact O-N 2.91Å |
| 316 | L | 63.6 | Low | 77.5 | Confident | 136 Ų | 136 | 57.3 Ų | 57.3 | 71% | 0.712 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -59 | -19.8 | 177.9 | -68.7 | 166.5 | 0 | 0 | 0 | 113.8 | M314 C318 | M314-L316 PolarHBondContact O-N 3.43Å; M314-L316 VanDerWaalsContact O-N 3.11Å; L316-C318 VanDerWaalsContact C-N 3.28Å; L316-C318 PolarHBondContact O-N 3.42Å |
| 317 | V | 59.4 | Low | 77.7 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -67.5 | -30.6 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | I275 E279 M314 H315 | I275-V317 HydrophobicContact CD1-CG2 4.33Å; I275-V317 HydrophobicContact CG1-CG2 4.19Å; I275-V317 HydrophobicContact CG2-CB 4.46Å; I275-V317 HydrophobicContact CG2-CG1 3.75Å; I275-V317 HydrophobicContact CG2-CG2 3.77Å; E279-V317 HydrophobicContact CG-CG1 4.05Å; M314-V317 WeakPolarHBondContact O-CB 3.33Å; M314-V317 WeakPolarHBondContact O-CG2 3.25Å; M314-V317 PolarHBondContact O-N 3.21Å; H315-V317 PolarHBondContact O-N 3.47Å; H315-V317 VanDerWaalsContact O-N 3.07Å |
| 318 | C | 59.9 | Low | 77.9 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 9% | 0.088 | 32% | 0.319 | C | S | . | . | trans | -111.3 | 92.7 | -177.4 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | H315 L316 H320 | H315-C318 PolarHBondContact O-N 2.91Å; L316-C318 VanDerWaalsContact C-N 3.28Å; L316-C318 PolarHBondContact O-N 3.42Å; C318-H320 PolarHBondContact O-N 2.74Å | ||
| 319 | N | 62.3 | Low | 78.2 | Confident | 158 Ų | 158 | 60.3 Ų | 60.3 | 85% | 0.845 | 31% | 0.308 | S | S | * | . | trans | -63.9 | 23.1 | 175.1 | -78.6 | -17.8 | 0 | 0 | 0 | 114.7 | ||||
| 320 | H | 69.2 | Low | 78.5 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -96 | 144.6 | -178.1 | -62.6 | 71.6 | 0 | 0 | 0 | 110 | C318 P322 F325 | C318-H320 PolarHBondContact O-N 2.74Å; H320-P322 VanDerWaalsContact O-CD 3.28Å; H320-P322 WeakPolarHBondContact O-CD 3.35Å; H320-F325 HydrophobicContact CB-CE1 4.16Å; H320-F325 HydrophobicContact CB-CE2 3.88Å; H320-F325 HydrophobicContact CB-CZ 3.35Å; H320-F325 AromaticContact CD2-CZ 3.88Å; H320-F325 AromaticContact CG-CZ 3.79Å |
| 321 | N | 77.6 | Confident | 78.8 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | trans | -80.8 | 110.9 | 178.8 | -176.2 | -5.9 | 0 | 0 | 0 | 109.8 | L323 T324 | N321-L323 PolarHBondContact O-N 3.08Å; N321-L323 VanDerWaalsContact O-N 3.15Å; N321-L323 WeakPolarHBondContact OD1-CB 3.29Å; N321-L323 PolarHBondContact OD1-N 3.45Å; N321-L323 VanDerWaalsContact OD1-N 3.16Å; N321-T324 HydrophobicContact CB-CG2 4.01Å; N321-T324 PolarHBondContact O-N 3.38Å; N321-T324 PolarHBondContact O-OG1 2.9Å | ||
| 322 | P | 80.9 | Confident | 79.2 | Confident | 16 Ų | 16 | 57 Ų | 57 | 10% | 0.104 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -29.7 | -178 | 22.1 | -32.9 | 0 | 0 | 0 | 114 | Y306 H320 T324 F325 L326 V350 L351 | Y306-P322 HydrophobicContact CD1-CB 3.84Å; Y306-P322 HydrophobicContact CE1-CB 3.31Å; Y306-P322 HydrophobicContact CE1-CG 3.65Å; Y306-P322 HydrophobicContact CE2-CB 4.34Å; Y306-P322 WeakPolarHBondContact OH-CD 3.27Å; Y306-P322 WeakPolarHBondContact OH-CG 3.37Å; H320-P322 VanDerWaalsContact O-CD 3.28Å; H320-P322 WeakPolarHBondContact O-CD 3.35Å; P322-T324 VanDerWaalsContact C-N 3.26Å; P322-T324 PolarHBondContact O-N 2.89Å; P322-F325 PolarHBondContact O-N 3.09Å; P322-F325 VanDerWaalsContact O-N 3.12Å; P322-L326 PolarHBondContact O-N 3.03Å; P322-V350 HydrophobicContact CB-CG1 3.52Å; P322-L351 HydrophobicContact CB-CD2 4.18Å; P322-L351 HydrophobicContact CG-CD2 3.93Å |
| 323 | L | 84.6 | Confident | 79.7 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.3 | -44.6 | 176.4 | -165.7 | 112 | 0 | 0 | 0 | 110.5 | N321 F325 L326 E327 L351 K359 | N321-L323 PolarHBondContact O-N 3.08Å; N321-L323 VanDerWaalsContact O-N 3.15Å; N321-L323 WeakPolarHBondContact OD1-CB 3.29Å; N321-L323 PolarHBondContact OD1-N 3.45Å; N321-L323 VanDerWaalsContact OD1-N 3.16Å; L323-F325 VanDerWaalsContact C-N 3.28Å; L323-F325 PolarHBondContact O-N 2.93Å; L323-L326 PolarHBondContact O-N 3.28Å; L323-E327 WeakPolarHBondContact CD2-OE1 3.3Å; L323-E327 VanDerWaalsContact O-CG 3.27Å; L323-E327 WeakPolarHBondContact O-CG 3.13Å; L323-E327 PolarHBondContact O-N 3.4Å; L323-L351 HydrophobicContact CD1-CD1 4.31Å; L323-K359 HydrophobicContact CD1-CD 4.36Å |
| 324 | T | 87.8 | Confident | 80.3 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -34.5 | 179.8 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | N321 P322 E327 D328 | N321-T324 HydrophobicContact CB-CG2 4.01Å; N321-T324 PolarHBondContact O-N 3.38Å; N321-T324 PolarHBondContact O-OG1 2.9Å; P322-T324 VanDerWaalsContact C-N 3.26Å; P322-T324 PolarHBondContact O-N 2.89Å; T324-E327 PolarHBondContact O-N 3.27Å; T324-D328 WeakPolarHBondContact O-CB 3.31Å; T324-D328 PolarHBondContact O-N 2.91Å |
| 325 | F | 87.3 | Confident | 80.9 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.2 | -37.9 | 178.6 | -59.7 | -19.9 | 0 | 0 | 0 | 111.9 | R302 L303 H320 P322 L323 Y329 | R302-F325 HydrophobicContact CG-CD2 3.97Å; R302-F325 HydrophobicContact CG-CE2 4.1Å; R302-F325 HydrophobicContact CG-CG 4.26Å; R302-F325 HydrophobicContact CG-CZ 4.49Å; R302-F325 VanDerWaalsContact CZ-CD1 3.46Å; L303-F325 HydrophobicContact CD2-CB 3.68Å; H320-F325 HydrophobicContact CB-CE1 4.16Å; H320-F325 HydrophobicContact CB-CE2 3.88Å; H320-F325 HydrophobicContact CB-CZ 3.35Å; H320-F325 AromaticContact CD2-CZ 3.88Å; H320-F325 AromaticContact CG-CZ 3.79Å; P322-F325 PolarHBondContact O-N 3.09Å; P322-F325 VanDerWaalsContact O-N 3.12Å; L323-F325 VanDerWaalsContact C-N 3.28Å; L323-F325 PolarHBondContact O-N 2.93Å; F325-Y329 WeakPolarHBondContact O-CB 3.38Å; F325-Y329 PolarHBondContact O-N 3.22Å; F325-Y329 VanDerWaalsContact O-N 3.09Å |
| 326 | L | 90.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | 174.6 | -69.2 | 170.4 | 0 | 0 | 0 | 111.4 | L303 P322 L323 F330 L343 V350 L351 Y360 | L303-L326 HydrophobicContact CD1-CD2 4.07Å; L303-L326 HydrophobicContact CD2-CD2 3.68Å; L303-L326 HydrophobicContact CD2-CG 3.96Å; P322-L326 PolarHBondContact O-N 3.03Å; L323-L326 PolarHBondContact O-N 3.28Å; L326-F330 WeakPolarHBondContact O-CB 3.34Å; L326-F330 PolarHBondContact O-N 3.1Å; L326-L343 HydrophobicContact CD2-CD2 3.83Å; L326-V350 HydrophobicContact CD1-CB 4.33Å; L326-V350 HydrophobicContact CD1-CG1 3.82Å; L326-V350 HydrophobicContact CG-CG1 4.17Å; L326-L351 HydrophobicContact CD1-CD1 3.62Å; L326-L351 HydrophobicContact CD1-CD2 4.29Å; L326-L351 HydrophobicContact CD1-CG 3.76Å; L326-Y360 HydrophobicContact CB-CD2 3.94Å; L326-Y360 HydrophobicContact CB-CE1 4.31Å; L326-Y360 HydrophobicContact CB-CE2 3.36Å; L326-Y360 PolarHBondContact O-OH 3.01Å |
| 327 | E | 91.3 | Very high | 83.1 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -47.6 | 175.1 | -68.1 | 174.7 | 168.7 | 0 | 0 | 111.4 | L323 T324 Y329 F330 N331 Y360 F363 | L323-E327 WeakPolarHBondContact CD2-OE1 3.3Å; L323-E327 VanDerWaalsContact O-CG 3.27Å; L323-E327 WeakPolarHBondContact O-CG 3.13Å; L323-E327 PolarHBondContact O-N 3.4Å; T324-E327 PolarHBondContact O-N 3.27Å; E327-Y329 VanDerWaalsContact C-N 3.34Å; E327-Y329 PolarHBondContact O-N 3.08Å; E327-F330 PolarHBondContact O-N 3.11Å; E327-N331 WeakPolarHBondContact O-CB 3.49Å; E327-N331 PolarHBondContact O-N 3.28Å; E327-N331 PolarHBondContact O-ND2 3.38Å; E327-N331 VanDerWaalsContact O-ND2 3.16Å; E327-Y360 HydrophobicContact CG-CD2 4.24Å; E327-Y360 HydrophobicContact CG-CE2 4.16Å; E327-F363 HydrophobicContact CB-CD1 4.45Å; E327-F363 HydrophobicContact CB-CE1 3.77Å; E327-F363 HydrophobicContact CB-CZ 3.85Å; E327-F363 HydrophobicContact CG-CD1 3.72Å; E327-F363 HydrophobicContact CG-CD2 4.45Å; E327-F363 HydrophobicContact CG-CE1 3.52Å; E327-F363 HydrophobicContact CG-CE2 4.26Å; E327-F363 HydrophobicContact CG-CG 4.19Å; E327-F363 HydrophobicContact CG-CZ 3.79Å |
| 328 | D | 89 | Confident | 84.5 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 175 | -73.5 | -17.9 | 0 | 0 | 0 | 111.3 | R302 T324 N331 A332 | R302-D328 IonicContact CZ-OD2 3.45Å; R302-D328 IonicContact NH1-OD2 3.88Å; R302-D328 PolarHBondContact NH1-OD2 3.08Å; R302-D328 IonicContact NH2-OD2 3.31Å; R302-D328 PolarHBondContact NH2-OD2 3.49Å; T324-D328 WeakPolarHBondContact O-CB 3.31Å; T324-D328 PolarHBondContact O-N 2.91Å; D328-N331 PolarHBondContact O-N 3.42Å; D328-A332 WeakPolarHBondContact O-CB 3.4Å; D328-A332 PolarHBondContact O-N 3.49Å |
| 329 | Y | 91.8 | Very high | 86 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | -178.3 | -168.6 | -77.1 | 0 | 0 | 0 | 111.1 | R296 Q299 L300 L303 F325 E327 N331 A332 F333 D342 L343 | R296-Y329 WeakPolarHBondContact CG-OH 3.45Å; Q299-Y329 HydrophobicContact CB-CD2 3.73Å; Q299-Y329 HydrophobicContact CB-CE2 3.89Å; L300-Y329 HydrophobicContact CB-CE2 4.36Å; L303-Y329 HydrophobicContact CD1-CD2 3.84Å; L303-Y329 HydrophobicContact CD1-CG 3.99Å; F325-Y329 WeakPolarHBondContact O-CB 3.38Å; F325-Y329 PolarHBondContact O-N 3.22Å; F325-Y329 VanDerWaalsContact O-N 3.09Å; E327-Y329 VanDerWaalsContact C-N 3.34Å; E327-Y329 PolarHBondContact O-N 3.08Å; Y329-N331 VanDerWaalsContact C-N 3.33Å; Y329-N331 PolarHBondContact O-N 2.89Å; Y329-A332 PolarHBondContact O-N 3.45Å; Y329-F333 HydrophobicContact CD1-CB 4.29Å; Y329-F333 AromaticContact CD1-CD2 3.86Å; Y329-F333 HydrophobicContact CD1-CD2 3.86Å; Y329-F333 AromaticContact CD2-CD2 3.91Å; Y329-F333 HydrophobicContact CD2-CD2 3.91Å; Y329-F333 HydrophobicContact CD2-CE2 4.1Å; Y329-F333 HydrophobicContact CE1-CB 3.92Å; Y329-F333 AromaticContact CE1-CD2 3.71Å; Y329-F333 HydrophobicContact CE1-CD2 3.71Å; Y329-F333 HydrophobicContact CE1-CG 4.1Å; Y329-F333 AromaticContact CE2-CD2 3.7Å; Y329-F333 HydrophobicContact CE2-CD2 3.7Å; Y329-F333 AromaticContact CE2-CE2 3.84Å; Y329-F333 HydrophobicContact CE2-CE2 3.84Å; Y329-F333 AromaticContact CG-CD2 3.96Å; Y329-F333 HydrophobicContact CG-CD2 3.96Å; Y329-F333 AromaticContact CZ-CD2 3.59Å; Y329-F333 WeakPolarHBondContact O-CD2 3.2Å; Y329-F333 PolarHBondContact O-N 3.1Å; Y329-D342 HydrophobicContact CE1-CB 4.15Å; Y329-D342 PolarHBondContact OH-OD2 3.03Å; Y329-L343 HydrophobicContact CD1-CD1 3.84Å; Y329-L343 HydrophobicContact CD1-CD2 3.69Å; Y329-L343 HydrophobicContact CD1-CG 3.81Å; Y329-L343 HydrophobicContact CE1-CD2 4.23Å; Y329-L343 HydrophobicContact CE1-CG 4.15Å; Y329-L343 HydrophobicContact CG-CD2 4.06Å |
| 330 | F | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 178.8 | -176 | -99.8 | 0 | 0 | 0 | 111.2 | L326 E327 A332 F333 S334 L343 V364 V367 C387 A388 I391 | L326-F330 WeakPolarHBondContact O-CB 3.34Å; L326-F330 PolarHBondContact O-N 3.1Å; E327-F330 PolarHBondContact O-N 3.11Å; F330-A332 VanDerWaalsContact C-N 3.31Å; F330-A332 PolarHBondContact O-N 2.85Å; F330-F333 PolarHBondContact O-N 2.9Å; F330-S334 WeakPolarHBondContact O-CA 3.08Å; F330-S334 WeakPolarHBondContact O-CB 3.38Å; F330-S334 PolarHBondContact O-N 3.2Å; F330-S334 PolarHBondContact O-OG 3.39Å; F330-L343 HydrophobicContact CB-CD1 4.15Å; F330-L343 HydrophobicContact CD2-CD1 4.2Å; F330-V364 HydrophobicContact CD1-CG2 4.17Å; F330-V364 HydrophobicContact CD2-CG1 4.17Å; F330-V364 HydrophobicContact CD2-CG2 4.16Å; F330-V364 HydrophobicContact CE1-CB 4.46Å; F330-V364 HydrophobicContact CE1-CG1 4.09Å; F330-V364 HydrophobicContact CE1-CG2 4.44Å; F330-V364 HydrophobicContact CE2-CG1 3.65Å; F330-V364 HydrophobicContact CE2-CG2 4.44Å; F330-V364 HydrophobicContact CG-CG2 4.04Å; F330-V364 HydrophobicContact CZ-CB 4.45Å; F330-V364 HydrophobicContact CZ-CG1 3.62Å; F330-V367 HydrophobicContact CD1-CG1 4.36Å; F330-V367 HydrophobicContact CE1-CB 4.21Å; F330-V367 HydrophobicContact CE1-CG1 3.93Å; F330-C387 HydrophobicContact CE2-CB 4.35Å; F330-A388 HydrophobicContact CE2-CB 4.49Å; F330-A388 HydrophobicContact CZ-CB 4.07Å; F330-I391 HydrophobicContact CD2-CD1 3.96Å; F330-I391 HydrophobicContact CE2-CD1 4.03Å |
| 331 | N | 90.2 | Very high | 88.1 | Confident | 72 Ų | 72 | 35.9 Ų | 35.9 | 39% | 0.385 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.1 | -78.1 | -38.7 | 0 | 0 | 0 | 112.8 | E327 D328 Y329 | E327-N331 WeakPolarHBondContact O-CB 3.49Å; E327-N331 PolarHBondContact O-N 3.28Å; E327-N331 PolarHBondContact O-ND2 3.38Å; E327-N331 VanDerWaalsContact O-ND2 3.16Å; D328-N331 PolarHBondContact O-N 3.42Å; Y329-N331 VanDerWaalsContact C-N 3.33Å; Y329-N331 PolarHBondContact O-N 2.89Å |
| 332 | A | 89 | Confident | 88.7 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.2 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D328 Y329 F330 H335 | D328-A332 WeakPolarHBondContact O-CB 3.4Å; D328-A332 PolarHBondContact O-N 3.49Å; Y329-A332 PolarHBondContact O-N 3.45Å; F330-A332 VanDerWaalsContact C-N 3.31Å; F330-A332 PolarHBondContact O-N 2.85Å; A332-H335 PolarHBondContact O-CE1 3.35Å; A332-H335 PolarHBondContact O-ND1 2.96Å |
| 333 | F | 91.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -117.4 | -7.3 | -166.8 | -62.3 | -72.8 | 0 | 0 | 0 | 116 | Y294 R296 Q299 Y329 F330 H335 K336 C339 | Y294-F333 WeakPolarHBondContact O-CE1 3.43Å; Y294-F333 WeakPolarHBondContact O-CZ 3.45Å; R296-F333 HydrophobicContact CB-CE1 4.08Å; R296-F333 HydrophobicContact CB-CZ 4.11Å; Q299-F333 HydrophobicContact CB-CE2 4.07Å; Q299-F333 HydrophobicContact CG-CE2 4.07Å; Y329-F333 HydrophobicContact CD1-CB 4.29Å; Y329-F333 AromaticContact CD1-CD2 3.86Å; Y329-F333 HydrophobicContact CD1-CD2 3.86Å; Y329-F333 AromaticContact CD2-CD2 3.91Å; Y329-F333 HydrophobicContact CD2-CD2 3.91Å; Y329-F333 HydrophobicContact CD2-CE2 4.1Å; Y329-F333 HydrophobicContact CE1-CB 3.92Å; Y329-F333 AromaticContact CE1-CD2 3.71Å; Y329-F333 HydrophobicContact CE1-CD2 3.71Å; Y329-F333 HydrophobicContact CE1-CG 4.1Å; Y329-F333 AromaticContact CE2-CD2 3.7Å; Y329-F333 HydrophobicContact CE2-CD2 3.7Å; Y329-F333 AromaticContact CE2-CE2 3.84Å; Y329-F333 HydrophobicContact CE2-CE2 3.84Å; Y329-F333 AromaticContact CG-CD2 3.96Å; Y329-F333 HydrophobicContact CG-CD2 3.96Å; Y329-F333 AromaticContact CZ-CD2 3.59Å; Y329-F333 WeakPolarHBondContact O-CD2 3.2Å; Y329-F333 PolarHBondContact O-N 3.1Å; F330-F333 PolarHBondContact O-N 2.9Å; F333-H335 PolarHBondContact O-N 3.05Å; F333-K336 PolarHBondContact O-N 3.34Å; F333-C339 HydrophobicContact CB-CB 4.2Å; F333-C339 WeakPolarHBondContact O-CB 3.38Å |
| 334 | S | 88.2 | Confident | 89.2 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.7 | -176.9 | 48.8 | 0 | 0 | 0 | 0 | 114.6 | F330 K336 Y383 R384 | F330-S334 WeakPolarHBondContact O-CA 3.08Å; F330-S334 WeakPolarHBondContact O-CB 3.38Å; F330-S334 PolarHBondContact O-N 3.2Å; F330-S334 PolarHBondContact O-OG 3.39Å; S334-K336 PolarHBondContact O-N 3.13Å; S334-K336 VanDerWaalsContact O-N 3.17Å; S334-Y383 CarbonylContact O-C 3.51Å; S334-R384 WeakPolarHBondContact O-CA 3.27Å; S334-R384 PolarHBondContact O-N 2.73Å; S334-R384 PolarHBondContact OG-NE 2.84Å; S334-R384 VanDerWaalsContact OG-NE 3.14Å |
| 335 | H | 88.2 | Confident | 89 | Confident | 62 Ų | 62 | 33.5 Ų | 33.5 | 29% | 0.287 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -0.1 | 176.2 | 67.7 | -88.3 | 0 | 0 | 0 | 114.6 | A332 F333 K380 | A332-H335 PolarHBondContact O-CE1 3.35Å; A332-H335 PolarHBondContact O-ND1 2.96Å; F333-H335 PolarHBondContact O-N 3.05Å; H335-K380 HydrophobicContact CB-CB 3.99Å; H335-K380 HydrophobicContact CB-CG 4.26Å |
| 336 | K | 89.1 | Confident | 89 | Confident | 95 Ų | 95 | 33 Ų | 33 | 41% | 0.413 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -119.7 | 142.3 | 178.2 | -60.4 | -175.5 | -178.7 | 177.3 | 0 | 110.2 | F333 S334 I338 C339 C387 | F333-K336 PolarHBondContact O-N 3.34Å; S334-K336 PolarHBondContact O-N 3.13Å; S334-K336 VanDerWaalsContact O-N 3.17Å; K336-I338 HydrophobicContact CB-CG2 4.14Å; K336-I338 PolarHBondContact O-N 3.34Å; K336-I338 VanDerWaalsContact O-N 3.1Å; K336-C339 WeakPolarHBondContact O-CB 3.4Å; K336-C339 PolarHBondContact O-N 2.97Å; K336-C339 VanDerWaalsContact O-N 3.17Å; K336-C387 PolarHBondContact O-SG 3.33Å |
| 337 | P | 85.4 | Confident | 88.9 | Confident | 61 Ų | 61 | 33 Ų | 33 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.8 | -178.9 | 22.7 | -33.1 | 0 | 0 | 0 | 114.2 | C339 S340 Y383 | P337-C339 PolarHBondContact O-N 3.36Å; P337-S340 PolarHBondContact O-OG 3.13Å; P337-Y383 HydrophobicContact CB-CD1 3.96Å; P337-Y383 HydrophobicContact CB-CE1 3.63Å; P337-Y383 HydrophobicContact CG-CD1 4.48Å; P337-Y383 HydrophobicContact CG-CE1 4.02Å |
| 338 | I | 88.2 | Confident | 88.5 | Confident | 54 Ų | 54 | 35 Ų | 35 | 28% | 0.277 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.6 | -20.3 | -179.5 | -162.4 | 157.4 | 0 | 0 | 0 | 113.4 | K336 S340 M341 D342 | K336-I338 HydrophobicContact CB-CG2 4.14Å; K336-I338 PolarHBondContact O-N 3.34Å; K336-I338 VanDerWaalsContact O-N 3.1Å; I338-S340 VanDerWaalsContact C-N 3.33Å; I338-S340 PolarHBondContact O-N 3.18Å; I338-M341 HydrophobicContact CB-CE 4.27Å; I338-M341 HydrophobicContact CG1-CE 4.15Å; I338-M341 PolarHBondContact O-N 2.85Å; I338-D342 VanDerWaalsContact O-CG 3.24Å; I338-D342 PolarHBondContact O-N 3.36Å |
| 339 | C | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | -176.4 | -178 | 0 | 0 | 0 | 0 | 112.5 | F333 K336 P337 D342 L343 | F333-C339 HydrophobicContact CB-CB 4.2Å; F333-C339 WeakPolarHBondContact O-CB 3.38Å; K336-C339 WeakPolarHBondContact O-CB 3.4Å; K336-C339 PolarHBondContact O-N 2.97Å; K336-C339 VanDerWaalsContact O-N 3.17Å; P337-C339 PolarHBondContact O-N 3.36Å; C339-D342 PolarHBondContact O-N 3.34Å; C339-L343 WeakPolarHBondContact O-CB 3.27Å; C339-L343 WeakPolarHBondContact O-CG 3.21Å; C339-L343 PolarHBondContact O-N 3.46Å |
| 340 | S | 89.3 | Confident | 88 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.1 | -38.9 | 177.2 | 56.6 | 0 | 0 | 0 | 0 | 112 | P337 I338 D342 L343 A344 Q390 F660 | P337-S340 PolarHBondContact O-OG 3.13Å; I338-S340 VanDerWaalsContact C-N 3.33Å; I338-S340 PolarHBondContact O-N 3.18Å; S340-D342 VanDerWaalsContact C-N 3.29Å; S340-D342 PolarHBondContact O-N 3.4Å; S340-L343 PolarHBondContact O-N 3.37Å; S340-A344 WeakPolarHBondContact O-CB 3.21Å; S340-A344 PolarHBondContact O-N 3.49Å; S340-Q390 PolarHBondContact OG-OE1 2.92Å; S340-F660 WeakPolarHBondContact OG-CZ 3.44Å |
| 341 | M | 86.6 | Confident | 87.8 | Confident | 99 Ų | 99 | 34.4 Ų | 34.4 | 49% | 0.488 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 176.7 | -66.6 | -170 | -76.6 | 0 | 0 | 112.4 | I338 Y345 | I338-M341 HydrophobicContact CB-CE 4.27Å; I338-M341 HydrophobicContact CG1-CE 4.15Å; I338-M341 PolarHBondContact O-N 2.85Å; M341-Y345 WeakPolarHBondContact O-CD1 3.38Å |
| 342 | D | 89.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.7 | -44.5 | 179.3 | -63.9 | -23.3 | 0 | 0 | 0 | 112.3 | R296 L300 Y329 I338 C339 S340 Y345 L346 | R296-D342 IonicContact CZ-OD1 3.69Å; R296-D342 IonicContact CZ-OD2 2.78Å; R296-D342 IonicContact NE-OD1 2.74Å; R296-D342 IonicContact NE-OD2 3.59Å; R296-D342 PolarHBondContact NE-OD2 3.36Å; R296-D342 IonicContact NH2-OD1 3.47Å; R296-D342 PolarHBondContact NH2-OD1 2.93Å; R296-D342 IonicContact NH2-OD2 2.8Å; R296-D342 PolarHBondContact NH2-OD2 2.94Å; L300-D342 HydrophobicContact CD1-CB 4.19Å; Y329-D342 HydrophobicContact CE1-CB 4.15Å; Y329-D342 PolarHBondContact OH-OD2 3.03Å; I338-D342 VanDerWaalsContact O-CG 3.24Å; I338-D342 PolarHBondContact O-N 3.36Å; C339-D342 PolarHBondContact O-N 3.34Å; S340-D342 VanDerWaalsContact C-N 3.29Å; S340-D342 PolarHBondContact O-N 3.4Å; D342-Y345 VanDerWaalsContact O-CE1 3.27Å; D342-Y345 WeakPolarHBondContact O-CE1 3.46Å; D342-L346 VanDerWaalsContact O-CD1 3.24Å; D342-L346 WeakPolarHBondContact O-CD1 3.33Å; D342-L346 WeakPolarHBondContact O-CG 3.16Å |
| 343 | L | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -87.4 | -30.1 | -171.4 | -65.4 | -177.4 | 0 | 0 | 0 | 113.7 | L303 L326 Y329 F330 C339 S340 Y345 L346 V347 Y360 I391 | L303-L343 HydrophobicContact CD1-CD2 3.79Å; L326-L343 HydrophobicContact CD2-CD2 3.83Å; Y329-L343 HydrophobicContact CD1-CD1 3.84Å; Y329-L343 HydrophobicContact CD1-CD2 3.69Å; Y329-L343 HydrophobicContact CD1-CG 3.81Å; Y329-L343 HydrophobicContact CE1-CD2 4.23Å; Y329-L343 HydrophobicContact CE1-CG 4.15Å; Y329-L343 HydrophobicContact CG-CD2 4.06Å; F330-L343 HydrophobicContact CB-CD1 4.15Å; F330-L343 HydrophobicContact CD2-CD1 4.2Å; C339-L343 WeakPolarHBondContact O-CB 3.27Å; C339-L343 WeakPolarHBondContact O-CG 3.21Å; C339-L343 PolarHBondContact O-N 3.46Å; S340-L343 PolarHBondContact O-N 3.37Å; L343-Y345 VanDerWaalsContact C-N 3.29Å; L343-Y345 PolarHBondContact O-N 2.83Å; L343-L346 PolarHBondContact O-N 3.37Å; L343-L346 VanDerWaalsContact O-N 3.11Å; L343-V347 WeakPolarHBondContact O-CG2 3.44Å; L343-V347 PolarHBondContact O-N 2.86Å; L343-Y360 WeakPolarHBondContact CD1-OH 3.38Å; L343-I391 HydrophobicContact CB-CD1 3.89Å; L343-I391 HydrophobicContact CB-CG1 4.2Å; L343-I391 HydrophobicContact CD1-CD1 3.85Å; L343-I391 HydrophobicContact CG-CD1 4.49Å |
| 344 | A | 87 | Confident | 86.8 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54 | -43.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113 | S340 A394 N395 F660 | S340-A344 WeakPolarHBondContact O-CB 3.21Å; S340-A344 PolarHBondContact O-N 3.49Å; A344-A394 HydrophobicContact CB-CB 3.71Å; A344-N395 PolarHBondContact O-ND2 2.96Å; A344-F660 HydrophobicContact CB-CD1 4.37Å |
| 345 | Y | 83.7 | Confident | 86.7 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -84.3 | -33 | 178 | 77.8 | -88 | 0 | 0 | 0 | 113 | M341 D342 L343 V347 M349 | M341-Y345 WeakPolarHBondContact O-CD1 3.38Å; D342-Y345 VanDerWaalsContact O-CE1 3.27Å; D342-Y345 WeakPolarHBondContact O-CE1 3.46Å; L343-Y345 VanDerWaalsContact C-N 3.29Å; L343-Y345 PolarHBondContact O-N 2.83Å; Y345-V347 PolarHBondContact O-N 3.08Å; Y345-M349 HydrophobicContact CD2-SD 3.77Å; Y345-M349 HydrophobicContact CE2-SD 4.1Å |
| 346 | L | 86.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -31.5 | -177.1 | -74.5 | 177.6 | 0 | 0 | 0 | 113.1 | L300 L303 A307 D342 L343 R348 M349 V350 | L300-L346 HydrophobicContact CD1-CD1 3.76Å; L303-L346 HydrophobicContact CB-CD1 4.01Å; L303-L346 HydrophobicContact CD1-CD1 4.32Å; A307-L346 HydrophobicContact CB-CD2 4.34Å; D342-L346 VanDerWaalsContact O-CD1 3.24Å; D342-L346 WeakPolarHBondContact O-CD1 3.33Å; D342-L346 WeakPolarHBondContact O-CG 3.16Å; L343-L346 PolarHBondContact O-N 3.37Å; L343-L346 VanDerWaalsContact O-N 3.11Å; L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.11Å; L346-M349 HydrophobicContact CD2-SD 4.42Å; L346-M349 PolarHBondContact O-N 3.03Å; L346-V350 HydrophobicContact CB-CG2 4.47Å; L346-V350 WeakPolarHBondContact O-CB 3.37Å; L346-V350 WeakPolarHBondContact O-CG2 3.41Å; L346-V350 PolarHBondContact O-N 3.41Å |
| 347 | V | 88 | Confident | 86.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.6 | -47.5 | -178.4 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | L343 Y345 M349 L351 Q357 Y360 I391 | L343-V347 WeakPolarHBondContact O-CG2 3.44Å; L343-V347 PolarHBondContact O-N 2.86Å; Y345-V347 PolarHBondContact O-N 3.08Å; V347-M349 VanDerWaalsContact C-N 3.33Å; V347-M349 PolarHBondContact O-N 2.87Å; V347-L351 WeakPolarHBondContact O-CB 3.1Å; V347-L351 PolarHBondContact O-N 3.11Å; V347-Q357 HydrophobicContact CG1-CB 4.5Å; V347-Q357 HydrophobicContact CG1-CG 4.26Å; V347-Y360 HydrophobicContact CG1-CD1 4.35Å; V347-Y360 HydrophobicContact CG2-CD1 3.86Å; V347-Y360 HydrophobicContact CG2-CE1 3.63Å; V347-I391 HydrophobicContact CG2-CG2 4.2Å |
| 348 | R | 83.6 | Confident | 86.7 | Confident | 85 Ų | 85 | 43.8 Ų | 43.8 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.4 | -30.9 | 178.9 | -57.9 | -170 | -175.6 | -170.3 | -1 | 113.3 | L346 A394 N395 N396 | L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 3.11Å; R348-A394 PolarHBondContact NH2-O 2.95Å; R348-N395 WeakPolarHBondContact CG-OD1 3.37Å; R348-N396 PolarHBondContact NH2-ND2 3.43Å |
| 349 | M | 84.2 | Confident | 86.7 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.8 | -36.3 | 180 | -62.9 | 179.3 | 73.6 | 0 | 0 | 111.9 | A307 L310 Q311 Y345 L346 V347 | A307-M349 HydrophobicContact CB-CB 4.03Å; A307-M349 HydrophobicContact CB-CE 4.31Å; L310-M349 WeakPolarHBondContact CD1-O 3.48Å; Q311-M349 VanDerWaalsContact NE2-CE 3.34Å; Y345-M349 HydrophobicContact CD2-SD 3.77Å; Y345-M349 HydrophobicContact CE2-SD 4.1Å; L346-M349 HydrophobicContact CD2-SD 4.42Å; L346-M349 PolarHBondContact O-N 3.03Å; V347-M349 VanDerWaalsContact C-N 3.33Å; V347-M349 PolarHBondContact O-N 2.87Å |
| 350 | V | 86.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -88.5 | -30.3 | -175.9 | 170.9 | 0 | 0 | 0 | 0 | 112 | Y306 A307 L310 P322 L326 L346 P352 | Y306-V350 HydrophobicContact CD1-CB 4.48Å; Y306-V350 HydrophobicContact CD1-CG1 3.84Å; Y306-V350 HydrophobicContact CD1-CG2 4.49Å; Y306-V350 HydrophobicContact CE1-CG1 4.19Å; A307-V350 HydrophobicContact CB-CG2 3.95Å; L310-V350 WeakPolarHBondContact CD1-O 3.37Å; P322-V350 HydrophobicContact CB-CG1 3.52Å; L326-V350 HydrophobicContact CD1-CB 4.33Å; L326-V350 HydrophobicContact CD1-CG1 3.82Å; L326-V350 HydrophobicContact CG-CG1 4.17Å; L346-V350 HydrophobicContact CB-CG2 4.47Å; L346-V350 WeakPolarHBondContact O-CB 3.37Å; L346-V350 WeakPolarHBondContact O-CG2 3.41Å; L346-V350 PolarHBondContact O-N 3.41Å; V350-P352 WeakPolarHBondContact O-CD 3.22Å |
| 351 | L | 86.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | trans | -119.5 | 85 | 178.6 | -57.2 | 177.2 | 0 | 0 | 0 | 109.3 | P322 L323 L326 V347 N353 D356 Q357 Y360 | P322-L351 HydrophobicContact CB-CD2 4.18Å; P322-L351 HydrophobicContact CG-CD2 3.93Å; L323-L351 HydrophobicContact CD1-CD1 4.31Å; L326-L351 HydrophobicContact CD1-CD1 3.62Å; L326-L351 HydrophobicContact CD1-CD2 4.29Å; L326-L351 HydrophobicContact CD1-CG 3.76Å; V347-L351 WeakPolarHBondContact O-CB 3.1Å; V347-L351 PolarHBondContact O-N 3.11Å; L351-N353 PolarHBondContact O-N 3.11Å; L351-D356 HydrophobicContact CB-CB 4.4Å; L351-D356 HydrophobicContact CD2-CB 4.3Å; L351-Q357 HydrophobicContact CB-CG 3.88Å; L351-Q357 WeakPolarHBondContact O-CG 3.36Å; L351-Q357 PolarHBondContact O-NE2 2.8Å; L351-Y360 HydrophobicContact CD1-CG 4.23Å | ||
| 352 | P | 80.4 | Confident | 86.9 | Confident | 95 Ų | 95 | 46.7 Ų | 46.7 | 62% | 0.617 | 24% | 0.239 | S | C | * | . | trans | -67.9 | -24.9 | -179.2 | 24.7 | -32.9 | 0 | 0 | 0 | 113.2 | V350 | V350-P352 WeakPolarHBondContact O-CD 3.22Š| ||
| 353 | N | 84.5 | Confident | 87 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -78.2 | 127 | 176 | -178.2 | 12.5 | 0 | 0 | 0 | 111.1 | L351 D355 D356 Q357 | L351-N353 PolarHBondContact O-N 3.11Å; N353-D355 VanDerWaalsContact C-N 3.27Å; N353-D355 PolarHBondContact O-N 3.05Å; N353-D355 PolarHBondContact OD1-N 3.46Å; N353-D355 VanDerWaalsContact OD1-N 3.17Å; N353-D356 HydrophobicContact CB-CB 4.33Å; N353-D356 WeakPolarHBondContact CB-OD2 3.49Å; N353-D356 PolarHBondContact ND2-OD2 2.95Å; N353-D356 PolarHBondContact O-N 3.07Å; N353-Q357 WeakPolarHBondContact O-CG 3.35Å; N353-Q357 PolarHBondContact O-N 3.39Å; N353-Q357 VanDerWaalsContact O-N 3.12Å |
| 354 | V | 84.6 | Confident | 87 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.5 | -35.8 | 179.2 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | D356 Q357 I358 | V354-D356 VanDerWaalsContact C-N 3.34Å; V354-D356 PolarHBondContact O-N 3.49Å; V354-Q357 WeakPolarHBondContact O-CB 3.33Å; V354-Q357 PolarHBondContact O-N 3.44Å; V354-I358 HydrophobicContact CG1-CD1 3.91Å; V354-I358 HydrophobicContact CG1-CG1 4.37Å; V354-I358 VanDerWaalsContact O-CG1 3.31Å; V354-I358 WeakPolarHBondContact O-CG1 3.36Å; V354-I358 PolarHBondContact O-N 3.36Å |
| 355 | D | 86.4 | Confident | 87.1 | Confident | 115 Ų | 115 | 49.3 Ų | 49.3 | 62% | 0.615 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.9 | -39.3 | 179.6 | -65.9 | -29 | 0 | 0 | 0 | 111.8 | N353 I358 K359 | N353-D355 VanDerWaalsContact C-N 3.27Å; N353-D355 PolarHBondContact O-N 3.05Å; N353-D355 PolarHBondContact OD1-N 3.46Å; N353-D355 VanDerWaalsContact OD1-N 3.17Å; D355-I358 PolarHBondContact O-N 2.96Å; D355-K359 WeakPolarHBondContact O-CB 3.46Å; D355-K359 PolarHBondContact O-N 2.95Å |
| 356 | D | 87.1 | Confident | 87.4 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.5 | -35.5 | 177.2 | -67.8 | -48.9 | 0 | 0 | 0 | 111.5 | L351 N353 V354 K359 Y360 | L351-D356 HydrophobicContact CB-CB 4.4Å; L351-D356 HydrophobicContact CD2-CB 4.3Å; N353-D356 HydrophobicContact CB-CB 4.33Å; N353-D356 WeakPolarHBondContact CB-OD2 3.49Å; N353-D356 PolarHBondContact ND2-OD2 2.95Å; N353-D356 PolarHBondContact O-N 3.07Å; V354-D356 VanDerWaalsContact C-N 3.34Å; V354-D356 PolarHBondContact O-N 3.49Å; D356-K359 PolarHBondContact O-N 3.26Å; D356-Y360 WeakPolarHBondContact O-CB 3.31Å; D356-Y360 PolarHBondContact O-N 3.33Å |
| 357 | Q | 88.1 | Confident | 87.4 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -49 | 171.4 | -65.7 | 170.1 | 19.5 | 0 | 0 | 110.8 | V347 L351 N353 V354 K359 Y360 I361 | V347-Q357 HydrophobicContact CG1-CB 4.5Å; V347-Q357 HydrophobicContact CG1-CG 4.26Å; L351-Q357 HydrophobicContact CB-CG 3.88Å; L351-Q357 WeakPolarHBondContact O-CG 3.36Å; L351-Q357 PolarHBondContact O-NE2 2.8Å; N353-Q357 WeakPolarHBondContact O-CG 3.35Å; N353-Q357 PolarHBondContact O-N 3.39Å; N353-Q357 VanDerWaalsContact O-N 3.12Å; V354-Q357 WeakPolarHBondContact O-CB 3.33Å; V354-Q357 PolarHBondContact O-N 3.44Å; Q357-K359 VanDerWaalsContact C-N 3.34Å; Q357-K359 PolarHBondContact O-N 2.96Å; Q357-Y360 PolarHBondContact O-N 2.82Å; Q357-I361 WeakPolarHBondContact O-CD1 3.31Å; Q357-I361 VanDerWaalsContact O-CG1 3.22Å; Q357-I361 WeakPolarHBondContact O-CG1 3.48Å; Q357-I361 PolarHBondContact O-N 3.36Å |
| 358 | I | 87.5 | Confident | 87.3 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 178.1 | -68.2 | 168.3 | 0 | 0 | 0 | 110.3 | V354 D355 Y360 I361 N362 | V354-I358 HydrophobicContact CG1-CD1 3.91Å; V354-I358 HydrophobicContact CG1-CG1 4.37Å; V354-I358 VanDerWaalsContact O-CG1 3.31Å; V354-I358 WeakPolarHBondContact O-CG1 3.36Å; V354-I358 PolarHBondContact O-N 3.36Å; D355-I358 PolarHBondContact O-N 2.96Å; I358-Y360 VanDerWaalsContact C-N 3.35Å; I358-Y360 PolarHBondContact O-N 3.12Å; I358-I361 PolarHBondContact O-N 3.28Å; I358-N362 WeakPolarHBondContact O-CB 3.36Å; I358-N362 VanDerWaalsContact O-CG 3.24Å; I358-N362 PolarHBondContact O-N 3.47Å; I358-N362 PolarHBondContact O-ND2 3.17Å |
| 359 | K | 89.8 | Confident | 87.2 | Confident | 120 Ų | 120 | 53.3 Ų | 53.3 | 52% | 0.522 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 177.3 | -176.4 | -178.5 | 176.4 | -175.8 | 0 | 112 | L323 D355 D356 Q357 N362 F363 | L323-K359 HydrophobicContact CD1-CD 4.36Å; D355-K359 WeakPolarHBondContact O-CB 3.46Å; D355-K359 PolarHBondContact O-N 2.95Å; D356-K359 PolarHBondContact O-N 3.26Å; Q357-K359 VanDerWaalsContact C-N 3.34Å; Q357-K359 PolarHBondContact O-N 2.96Å; K359-N362 PolarHBondContact O-N 3.44Å; K359-F363 PolarHBondContact O-N 2.95Å |
| 360 | Y | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.6 | 177.8 | -108.4 | 0 | 0 | 0 | 112.1 | L326 E327 L343 V347 L351 D356 Q357 I358 N362 F363 V364 I391 | L326-Y360 HydrophobicContact CB-CD2 3.94Å; L326-Y360 HydrophobicContact CB-CE1 4.31Å; L326-Y360 HydrophobicContact CB-CE2 3.36Å; L326-Y360 PolarHBondContact O-OH 3.01Å; E327-Y360 HydrophobicContact CG-CD2 4.24Å; E327-Y360 HydrophobicContact CG-CE2 4.16Å; L343-Y360 WeakPolarHBondContact CD1-OH 3.38Å; V347-Y360 HydrophobicContact CG1-CD1 4.35Å; V347-Y360 HydrophobicContact CG2-CD1 3.86Å; V347-Y360 HydrophobicContact CG2-CE1 3.63Å; L351-Y360 HydrophobicContact CD1-CG 4.23Å; D356-Y360 WeakPolarHBondContact O-CB 3.31Å; D356-Y360 PolarHBondContact O-N 3.33Å; Q357-Y360 PolarHBondContact O-N 2.82Å; I358-Y360 VanDerWaalsContact C-N 3.35Å; I358-Y360 PolarHBondContact O-N 3.12Å; Y360-N362 VanDerWaalsContact C-N 3.34Å; Y360-N362 PolarHBondContact O-N 3.44Å; Y360-F363 HydrophobicContact CD2-CD1 4.44Å; Y360-F363 HydrophobicContact CE2-CD1 4.33Å; Y360-F363 WeakPolarHBondContact O-CB 3.38Å; Y360-F363 PolarHBondContact O-N 3.3Å; Y360-V364 HydrophobicContact CD1-CG2 4.18Å; Y360-V364 HydrophobicContact CD2-CG2 4.32Å; Y360-V364 HydrophobicContact CE1-CG2 3.64Å; Y360-V364 HydrophobicContact CE2-CG2 3.79Å; Y360-V364 HydrophobicContact CG-CG2 4.5Å; Y360-V364 VanDerWaalsContact CZ-CG2 3.42Å; Y360-V364 WeakPolarHBondContact O-CG2 3.28Å; Y360-V364 PolarHBondContact O-N 2.88Å; Y360-I391 HydrophobicContact CE1-CG2 4.45Å |
| 361 | I | 89.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.6 | -67 | 162 | 0 | 0 | 0 | 110.7 | Q357 I358 F363 V364 M365 A392 N395 Q397 | Q357-I361 WeakPolarHBondContact O-CD1 3.31Å; Q357-I361 VanDerWaalsContact O-CG1 3.22Å; Q357-I361 WeakPolarHBondContact O-CG1 3.48Å; Q357-I361 PolarHBondContact O-N 3.36Å; I358-I361 PolarHBondContact O-N 3.28Å; I361-F363 VanDerWaalsContact C-N 3.32Å; I361-F363 PolarHBondContact O-N 3.49Å; I361-V364 PolarHBondContact O-N 3.48Å; I361-M365 HydrophobicContact CG2-CG 4.3Å; I361-M365 WeakPolarHBondContact O-CB 3.32Å; I361-M365 VanDerWaalsContact O-CG 3.3Å; I361-M365 WeakPolarHBondContact O-CG 3.46Å; I361-M365 PolarHBondContact O-N 2.93Å; I361-A392 HydrophobicContact CG2-CB 3.68Å; I361-N395 HydrophobicContact CD1-CB 3.54Å; I361-N395 HydrophobicContact CG1-CB 4.44Å; I361-Q397 HydrophobicContact CB-CG 4.44Å; I361-Q397 HydrophobicContact CD1-CB 4.06Å; I361-Q397 HydrophobicContact CD1-CG 3.51Å; I361-Q397 HydrophobicContact CG2-CB 3.78Å; I361-Q397 HydrophobicContact CG2-CG 4.05Å |
| 362 | N | 90.5 | Very high | 85.3 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 175.6 | -71.3 | -20.5 | 0 | 0 | 0 | 111.8 | I358 K359 Y360 M365 E366 | I358-N362 WeakPolarHBondContact O-CB 3.36Å; I358-N362 VanDerWaalsContact O-CG 3.24Å; I358-N362 PolarHBondContact O-N 3.47Å; I358-N362 PolarHBondContact O-ND2 3.17Å; K359-N362 PolarHBondContact O-N 3.44Å; Y360-N362 VanDerWaalsContact C-N 3.34Å; Y360-N362 PolarHBondContact O-N 3.44Å; N362-M365 PolarHBondContact O-N 2.78Å; N362-E366 WeakPolarHBondContact O-CB 3.45Å; N362-E366 PolarHBondContact O-N 2.95Å |
| 363 | F | 91.6 | Very high | 85 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -49 | 173.3 | 164.9 | -91.6 | 0 | 0 | 0 | 112 | E327 K359 Y360 I361 M365 E366 V367 | E327-F363 HydrophobicContact CB-CD1 4.45Å; E327-F363 HydrophobicContact CB-CE1 3.77Å; E327-F363 HydrophobicContact CB-CZ 3.85Å; E327-F363 HydrophobicContact CG-CD1 3.72Å; E327-F363 HydrophobicContact CG-CD2 4.45Å; E327-F363 HydrophobicContact CG-CE1 3.52Å; E327-F363 HydrophobicContact CG-CE2 4.26Å; E327-F363 HydrophobicContact CG-CG 4.19Å; E327-F363 HydrophobicContact CG-CZ 3.79Å; K359-F363 PolarHBondContact O-N 2.95Å; Y360-F363 HydrophobicContact CD2-CD1 4.44Å; Y360-F363 HydrophobicContact CE2-CD1 4.33Å; Y360-F363 WeakPolarHBondContact O-CB 3.38Å; Y360-F363 PolarHBondContact O-N 3.3Å; I361-F363 VanDerWaalsContact C-N 3.32Å; I361-F363 PolarHBondContact O-N 3.49Å; F363-M365 VanDerWaalsContact C-N 3.28Å; F363-M365 PolarHBondContact O-N 3.08Å; F363-E366 PolarHBondContact O-N 2.99Å; F363-V367 HydrophobicContact CD1-CG2 4.4Å; F363-V367 HydrophobicContact CD2-CG2 4.05Å; F363-V367 HydrophobicContact CE1-CG2 3.96Å; F363-V367 HydrophobicContact CE2-CG2 3.61Å; F363-V367 HydrophobicContact CG-CG2 4.43Å; F363-V367 HydrophobicContact CZ-CG2 3.57Å; F363-V367 VanDerWaalsContact O-CG2 3.31Å; F363-V367 WeakPolarHBondContact O-CG2 3.13Å; F363-V367 PolarHBondContact O-N 3.12Å |
| 364 | V | 90.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | -179.5 | 162.8 | 0 | 0 | 0 | 0 | 111.1 | F330 Y360 I361 A368 A388 | F330-V364 HydrophobicContact CD1-CG2 4.17Å; F330-V364 HydrophobicContact CD2-CG1 4.17Å; F330-V364 HydrophobicContact CD2-CG2 4.16Å; F330-V364 HydrophobicContact CE1-CB 4.46Å; F330-V364 HydrophobicContact CE1-CG1 4.09Å; F330-V364 HydrophobicContact CE1-CG2 4.44Å; F330-V364 HydrophobicContact CE2-CG1 3.65Å; F330-V364 HydrophobicContact CE2-CG2 4.44Å; F330-V364 HydrophobicContact CG-CG2 4.04Å; F330-V364 HydrophobicContact CZ-CB 4.45Å; F330-V364 HydrophobicContact CZ-CG1 3.62Å; Y360-V364 HydrophobicContact CD1-CG2 4.18Å; Y360-V364 HydrophobicContact CD2-CG2 4.32Å; Y360-V364 HydrophobicContact CE1-CG2 3.64Å; Y360-V364 HydrophobicContact CE2-CG2 3.79Å; Y360-V364 HydrophobicContact CG-CG2 4.5Å; Y360-V364 VanDerWaalsContact CZ-CG2 3.42Å; Y360-V364 WeakPolarHBondContact O-CG2 3.28Å; Y360-V364 PolarHBondContact O-N 2.88Å; I361-V364 PolarHBondContact O-N 3.48Å; V364-A368 WeakPolarHBondContact O-CB 3.47Å; V364-A368 PolarHBondContact O-N 3.49Å; V364-A388 VanDerWaalsContact CG1-CA 3.43Å; V364-A388 HydrophobicContact CG1-CB 3.45Å; V364-A388 VanDerWaalsContact CG1-CB 3.45Å |
| 365 | M | 89.5 | Confident | 83.9 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 15% | 0.148 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 175.3 | -71.7 | -55.1 | -55.5 | 0 | 0 | 112 | I361 N362 F363 V367 A368 E369 A388 H389 A392 | I361-M365 HydrophobicContact CG2-CG 4.3Å; I361-M365 WeakPolarHBondContact O-CB 3.32Å; I361-M365 VanDerWaalsContact O-CG 3.3Å; I361-M365 WeakPolarHBondContact O-CG 3.46Å; I361-M365 PolarHBondContact O-N 2.93Å; N362-M365 PolarHBondContact O-N 2.78Å; F363-M365 VanDerWaalsContact C-N 3.28Å; F363-M365 PolarHBondContact O-N 3.08Å; M365-V367 PolarHBondContact O-N 2.82Å; M365-A368 PolarHBondContact O-N 3.11Å; M365-E369 WeakPolarHBondContact O-CG 3.48Å; M365-E369 PolarHBondContact O-N 3.29Å; M365-A388 HydrophobicContact SD-CB 4.04Å; M365-H389 WeakPolarHBondContact CE-CE1 3.44Å; M365-A392 HydrophobicContact SD-CB 4.24Å |
| 366 | E | 89.2 | Confident | 82.9 | Confident | 130 Ų | 130 | 58.9 Ų | 58.9 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.3 | -47.4 | 177.6 | -175.1 | -179.7 | 177.9 | 0 | 0 | 111.3 | N362 F363 A368 E369 T370 | N362-E366 WeakPolarHBondContact O-CB 3.45Å; N362-E366 PolarHBondContact O-N 2.95Å; F363-E366 PolarHBondContact O-N 2.99Å; E366-A368 VanDerWaalsContact C-N 3.31Å; E366-A368 PolarHBondContact O-N 3.05Å; E366-E369 PolarHBondContact O-N 2.59Å; E366-T370 WeakPolarHBondContact O-CG2 3.49Å; E366-T370 PolarHBondContact O-N 2.94Å |
| 367 | V | 87.2 | Confident | 82.1 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 12% | 0.121 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | F330 F363 M365 T370 | F330-V367 HydrophobicContact CD1-CG1 4.36Å; F330-V367 HydrophobicContact CE1-CB 4.21Å; F330-V367 HydrophobicContact CE1-CG1 3.93Å; F363-V367 HydrophobicContact CD1-CG2 4.4Å; F363-V367 HydrophobicContact CD2-CG2 4.05Å; F363-V367 HydrophobicContact CE1-CG2 3.96Å; F363-V367 HydrophobicContact CE2-CG2 3.61Å; F363-V367 HydrophobicContact CG-CG2 4.43Å; F363-V367 HydrophobicContact CZ-CG2 3.57Å; F363-V367 VanDerWaalsContact O-CG2 3.31Å; F363-V367 WeakPolarHBondContact O-CG2 3.13Å; F363-V367 PolarHBondContact O-N 3.12Å; M365-V367 PolarHBondContact O-N 2.82Å; V367-T370 PolarHBondContact O-OG1 3.45Å |
| 368 | A | 85.7 | Confident | 81.6 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V364 M365 E366 A388 | V364-A368 WeakPolarHBondContact O-CB 3.47Å; V364-A368 PolarHBondContact O-N 3.49Å; M365-A368 PolarHBondContact O-N 3.11Å; E366-A368 VanDerWaalsContact C-N 3.31Å; E366-A368 PolarHBondContact O-N 3.05Å; A368-A388 HydrophobicContact CB-CB 3.49Å; A368-A388 VanDerWaalsContact CB-CB 3.49Å |
| 369 | E | 82.3 | Confident | 81.3 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -81.2 | -19.4 | 178.9 | -69.7 | 179 | 179.4 | 0 | 0 | 112.8 | M365 E366 G371 L372 | M365-E369 WeakPolarHBondContact O-CG 3.48Å; M365-E369 PolarHBondContact O-N 3.29Å; E366-E369 PolarHBondContact O-N 2.59Å; E369-G371 PolarHBondContact O-N 3.49Å; E369-G371 VanDerWaalsContact O-N 3.14Å; E369-L372 HydrophobicContact CG-CD1 4.31Å; E369-L372 VanDerWaalsContact O-CB 3.31Å; E369-L372 WeakPolarHBondContact O-CB 3.25Å; E369-L372 PolarHBondContact O-N 3.44Å; E369-L372 VanDerWaalsContact O-N 3.16Å |
| 370 | T | 78 | Confident | 81.1 | Confident | 88 Ų | 88 | 67.7 Ų | 67.7 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 117 | 174.4 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | E366 V367 | E366-T370 WeakPolarHBondContact O-CG2 3.49Å; E366-T370 PolarHBondContact O-N 2.94Å; V367-T370 PolarHBondContact O-OG1 3.45Å |
| 371 | G | 67.3 | Low | 80.9 | Confident | 78 Ų | 78 | 69.8 Ų | 69.8 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 18 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E369 N373 | E369-G371 PolarHBondContact O-N 3.49Å; E369-G371 VanDerWaalsContact O-N 3.14Å; G371-N373 PolarHBondContact O-N 3.18Å |
| 372 | L | 70.7 | Confident | 80.8 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 29% | 0.293 | 37% | 0.373 | S | S | . | . | trans | -58.5 | 106.9 | 177.9 | -161.4 | 151.4 | 0 | 0 | 0 | 110.4 | E369 F374 H385 | E369-L372 HydrophobicContact CG-CD1 4.31Å; E369-L372 VanDerWaalsContact O-CB 3.31Å; E369-L372 WeakPolarHBondContact O-CB 3.25Å; E369-L372 PolarHBondContact O-N 3.44Å; E369-L372 VanDerWaalsContact O-N 3.16Å; L372-F374 HydrophobicContact CD2-CD1 4.3Å; L372-F374 HydrophobicContact CD2-CD2 4.3Å; L372-F374 HydrophobicContact CD2-CE1 3.75Å; L372-F374 HydrophobicContact CD2-CE2 3.75Å; L372-F374 HydrophobicContact CD2-CZ 3.45Å; L372-F374 VanDerWaalsContact CD2-CZ 3.45Å; L372-H385 VanDerWaalsContact CD1-CE1 3.42Å; L372-H385 WeakPolarHBondContact CD1-CE1 3.45Å | ||
| 373 | N | 73.7 | Confident | 80.8 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | trans | -132.7 | 110.9 | 177.6 | -177.9 | 3.9 | 0 | 0 | 0 | 109.1 | G371 T375 N376 | G371-N373 PolarHBondContact O-N 3.18Å; N373-T375 PolarHBondContact ND2-OG1 3.07Å; N373-T375 PolarHBondContact O-N 2.57Å; N373-T375 VanDerWaalsContact O-N 3.14Å; N373-T375 WeakPolarHBondContact OD1-CG2 3.4Å; N373-T375 PolarHBondContact OD1-N 3.05Å; N373-T375 PolarHBondContact OD1-OG1 2.81Å; N373-N376 WeakPolarHBondContact O-CB 3.35Å; N373-N376 PolarHBondContact O-N 3.28Å | ||
| 374 | F | 75.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.4 | 179.3 | -63.3 | -63.2 | 0 | 0 | 0 | 113.7 | L372 N376 Y407 Y411 | L372-F374 HydrophobicContact CD2-CD1 4.3Å; L372-F374 HydrophobicContact CD2-CD2 4.3Å; L372-F374 HydrophobicContact CD2-CE1 3.75Å; L372-F374 HydrophobicContact CD2-CE2 3.75Å; L372-F374 HydrophobicContact CD2-CZ 3.45Å; L372-F374 VanDerWaalsContact CD2-CZ 3.45Å; F374-N376 PolarHBondContact O-N 3.5Å; F374-Y407 HydrophobicContact CE1-CD1 4.03Å; F374-Y407 AromaticContact CZ-CD1 3.91Å; F374-Y407 HydrophobicContact CZ-CD1 3.91Å; F374-Y407 HydrophobicContact CZ-CE1 4.33Å; F374-Y411 HydrophobicContact CD1-CD1 4.06Å; F374-Y411 HydrophobicContact CD1-CD2 4.44Å; F374-Y411 HydrophobicContact CD1-CE1 4.04Å; F374-Y411 HydrophobicContact CD1-CE2 4.41Å; F374-Y411 HydrophobicContact CD1-CG 4.25Å; F374-Y411 HydrophobicContact CE1-CD2 4.47Å; F374-Y411 HydrophobicContact CE1-CE2 4.23Å |
| 375 | T | 70.1 | Confident | 80.7 | Confident | 113 Ų | 113 | 69.1 Ų | 69.1 | 69% | 0.693 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18.7 | 171.8 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | N373 K377 | N373-T375 PolarHBondContact ND2-OG1 3.07Å; N373-T375 PolarHBondContact O-N 2.57Å; N373-T375 VanDerWaalsContact O-N 3.14Å; N373-T375 WeakPolarHBondContact OD1-CG2 3.4Å; N373-T375 PolarHBondContact OD1-N 3.05Å; N373-T375 PolarHBondContact OD1-OG1 2.81Å; T375-K377 PolarHBondContact O-N 3.42Å |
| 376 | N | 66.2 | Low | 80.8 | Confident | 54 Ų | 54 | 68 Ų | 68 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | trans | -83 | 101.3 | 175.1 | -168.3 | -6.7 | 0 | 0 | 0 | 109.7 | N373 F374 E378 | N373-N376 WeakPolarHBondContact O-CB 3.35Å; N373-N376 PolarHBondContact O-N 3.28Å; F374-N376 PolarHBondContact O-N 3.5Å; N376-E378 VanDerWaalsContact C-N 3.3Å; N376-E378 VanDerWaalsContact OD1-CB 3.3Å; N376-E378 WeakPolarHBondContact OD1-CB 3.34Å; N376-E378 VanDerWaalsContact OD1-CG 3.22Å; N376-E378 WeakPolarHBondContact OD1-CG 3.35Å; N376-E378 PolarHBondContact OD1-N 3.28Å; N376-E378 VanDerWaalsContact OD1-N 3.15Å | ||
| 377 | K | 69.6 | Low | 80.9 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | trans | -91.3 | 16.5 | -179.8 | -61.3 | -170.6 | 175.4 | -167.6 | 0 | 113.2 | T375 D379 | T375-K377 PolarHBondContact O-N 3.42Å; K377-D379 PolarHBondContact O-N 3.28Å | ||
| 378 | E | 78.6 | Confident | 81.1 | Confident | 118 Ų | 118 | 60.9 Ų | 60.9 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | trans | -70.8 | 122.5 | 176.9 | -72.5 | 178.9 | -171.8 | 0 | 0 | 111.5 | N376 K380 T381 I382 | N376-E378 VanDerWaalsContact C-N 3.3Å; N376-E378 VanDerWaalsContact OD1-CB 3.3Å; N376-E378 WeakPolarHBondContact OD1-CB 3.34Å; N376-E378 VanDerWaalsContact OD1-CG 3.22Å; N376-E378 WeakPolarHBondContact OD1-CG 3.35Å; N376-E378 PolarHBondContact OD1-N 3.28Å; N376-E378 VanDerWaalsContact OD1-N 3.15Å; E378-K380 PolarHBondContact O-N 2.82Å; E378-T381 HydrophobicContact CB-CG2 4.45Å; E378-T381 PolarHBondContact O-N 3.19Å; E378-T381 PolarHBondContact O-OG1 3.46Å; E378-I382 PolarHBondContact O-N 2.85Å | ||
| 379 | D | 81.9 | Confident | 81.4 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -48.8 | -35.3 | 179.6 | -66.8 | -22.8 | 0 | 0 | 0 | 113.7 | K377 T381 I382 Y383 P439 | K377-D379 PolarHBondContact O-N 3.28Å; D379-T381 PolarHBondContact O-N 2.87Å; D379-I382 PolarHBondContact O-N 3.02Å; D379-Y383 HydrophobicContact CB-CD2 4.36Å; D379-Y383 HydrophobicContact CB-CE2 4.34Å; D379-Y383 WeakPolarHBondContact O-CB 3.28Å; D379-Y383 WeakPolarHBondContact O-CD2 3.46Å; D379-Y383 PolarHBondContact O-N 3.19Å; D379-P439 HydrophobicContact CB-CG 3.99Å |
| 380 | K | 84.8 | Confident | 81.9 | Confident | 131 Ų | 131 | 57.2 Ų | 57.2 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 179 | -72.2 | -176.6 | -177.3 | 177.2 | 0 | 113 | H335 E378 R384 | H335-K380 HydrophobicContact CB-CB 3.99Å; H335-K380 HydrophobicContact CB-CG 4.26Å; E378-K380 PolarHBondContact O-N 2.82Å; K380-R384 PolarHBondContact O-N 2.72Å; K380-R384 VanDerWaalsContact O-N 3.1Å |
| 381 | T | 85.8 | Confident | 82.5 | Confident | 45 Ų | 45 | 53 Ų | 53 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.7 | -39 | -180 | 61.8 | 0 | 0 | 0 | 0 | 111 | E378 D379 R384 H385 | E378-T381 HydrophobicContact CB-CG2 4.45Å; E378-T381 PolarHBondContact O-N 3.19Å; E378-T381 PolarHBondContact O-OG1 3.46Å; D379-T381 PolarHBondContact O-N 2.87Å; T381-R384 PolarHBondContact O-N 2.92Å; T381-H385 PolarHBondContact O-N 3.23Å; T381-H385 VanDerWaalsContact O-N 3.16Å |
| 382 | I | 88 | Confident | 83.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.6 | -52.8 | 173.4 | 0 | 0 | 0 | 110.1 | E378 D379 R384 H385 L386 Y411 P439 V440 F443 | E378-I382 PolarHBondContact O-N 2.85Å; D379-I382 PolarHBondContact O-N 3.02Å; I382-R384 PolarHBondContact O-N 3.41Å; I382-H385 PolarHBondContact O-N 3.01Å; I382-L386 VanDerWaalsContact O-CB 3.32Å; I382-L386 WeakPolarHBondContact O-CB 3.45Å; I382-L386 PolarHBondContact O-N 3.36Å; I382-Y411 HydrophobicContact CD1-CD1 4.26Å; I382-Y411 HydrophobicContact CD1-CG 4.39Å; I382-Y411 HydrophobicContact CG1-CD1 3.86Å; I382-Y411 HydrophobicContact CG1-CE1 4.06Å; I382-Y411 HydrophobicContact CG1-CG 4.17Å; I382-Y411 HydrophobicContact CG2-CD2 4.28Å; I382-Y411 HydrophobicContact CG2-CG 4.5Å; I382-P439 HydrophobicContact CB-CB 4.05Å; I382-P439 HydrophobicContact CG2-CB 3.68Å; I382-V440 HydrophobicContact CD1-CG2 3.89Å; I382-V440 HydrophobicContact CG2-CG2 3.81Å; I382-F443 HydrophobicContact CG2-CE2 3.88Å |
| 383 | Y | 89.6 | Confident | 84.3 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 175.8 | -83.8 | -54.7 | 0 | 0 | 0 | 113.1 | S334 P337 D379 H385 L386 C387 P439 | S334-Y383 CarbonylContact O-C 3.51Å; P337-Y383 HydrophobicContact CB-CD1 3.96Å; P337-Y383 HydrophobicContact CB-CE1 3.63Å; P337-Y383 HydrophobicContact CG-CD1 4.48Å; P337-Y383 HydrophobicContact CG-CE1 4.02Å; D379-Y383 HydrophobicContact CB-CD2 4.36Å; D379-Y383 HydrophobicContact CB-CE2 4.34Å; D379-Y383 WeakPolarHBondContact O-CB 3.28Å; D379-Y383 WeakPolarHBondContact O-CD2 3.46Å; D379-Y383 PolarHBondContact O-N 3.19Å; Y383-H385 VanDerWaalsContact C-N 3.3Å; Y383-H385 PolarHBondContact O-N 3.44Å; Y383-L386 HydrophobicContact CD1-CD2 4.33Å; Y383-L386 PolarHBondContact O-N 2.92Å; Y383-C387 VanDerWaalsContact O-CB 3.3Å; Y383-C387 WeakPolarHBondContact O-CB 3.35Å; Y383-C387 PolarHBondContact O-N 2.81Å; Y383-C387 PolarHBondContact O-SG 3.43Å; Y383-P439 HydrophobicContact CD1-CB 3.95Å; Y383-P439 HydrophobicContact CD1-CG 4.43Å; Y383-P439 HydrophobicContact CD2-CB 4.25Å; Y383-P439 HydrophobicContact CD2-CG 3.96Å; Y383-P439 HydrophobicContact CE1-CB 3.72Å; Y383-P439 HydrophobicContact CE1-CG 3.98Å; Y383-P439 HydrophobicContact CE2-CB 4.07Å; Y383-P439 HydrophobicContact CE2-CG 3.48Å; Y383-P439 VanDerWaalsContact CE2-CG 3.48Å; Y383-P439 HydrophobicContact CG-CB 4.19Å; Y383-P439 HydrophobicContact CG-CG 4.4Å; Y383-P439 VanDerWaalsContact CZ-CG 3.49Å |
| 384 | R | 89.4 | Confident | 84.9 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.6 | -47.3 | 175.6 | 172.7 | 177.4 | -114.6 | -165 | -8.6 | 111.1 | S334 K380 T381 I382 A388 | S334-R384 WeakPolarHBondContact O-CA 3.27Å; S334-R384 PolarHBondContact O-N 2.73Å; S334-R384 PolarHBondContact OG-NE 2.84Å; S334-R384 VanDerWaalsContact OG-NE 3.14Å; K380-R384 PolarHBondContact O-N 2.72Å; K380-R384 VanDerWaalsContact O-N 3.1Å; T381-R384 PolarHBondContact O-N 2.92Å; I382-R384 PolarHBondContact O-N 3.41Å; R384-A388 PolarHBondContact O-N 3.5Å |
| 385 | H | 91.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 179.1 | -170.8 | -167.4 | 0 | 0 | 0 | 112.1 | L372 T381 I382 Y383 A388 H389 Y407 Y411 F443 | L372-H385 VanDerWaalsContact CD1-CE1 3.42Å; L372-H385 WeakPolarHBondContact CD1-CE1 3.45Å; T381-H385 PolarHBondContact O-N 3.23Å; T381-H385 VanDerWaalsContact O-N 3.16Å; I382-H385 PolarHBondContact O-N 3.01Å; Y383-H385 VanDerWaalsContact C-N 3.3Å; Y383-H385 PolarHBondContact O-N 3.44Å; H385-A388 PolarHBondContact O-N 2.92Å; H385-H389 AromaticContact CD2-CD2 3.52Å; H385-H389 AromaticContact CD2-NE2 3.69Å; H385-H389 AromaticContact NE2-CD2 3.5Å; H385-H389 AromaticContact NE2-NE2 3.19Å; H385-H389 PolarHBondContact NE2-NE2 3.33Å; H385-H389 VanDerWaalsContact NE2-NE2 3.19Å; H385-H389 PolarHBondContact O-CD2 2.97Å; H385-H389 PolarHBondContact O-N 3.49Å; H385-Y407 AromaticContact CE1-CD1 3.67Å; H385-Y407 AromaticContact CE1-CD2 3.64Å; H385-Y407 AromaticContact CE1-CE1 3.76Å; H385-Y407 AromaticContact CE1-CE2 3.73Å; H385-Y407 AromaticContact CE1-CG 3.61Å; H385-Y407 AromaticContact CE1-CZ 3.77Å; H385-Y407 AromaticContact NE2-CD2 3.88Å; H385-Y407 AromaticContact NE2-CE2 3.65Å; H385-Y407 AromaticContact NE2-CZ 3.85Å; H385-Y411 AromaticContact ND1-CE2 3.57Å; H385-Y411 AromaticContact ND1-CZ 3.71Å; H385-Y411 PolarHBondContact ND1-OH 3.4Å; H385-F443 HydrophobicContact CB-CZ 4.14Å; H385-F443 AromaticContact CG-CZ 3.88Å; H385-F443 AromaticContact ND1-CZ 3.81Å |
| 386 | L | 91.3 | Very high | 85.8 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.6 | 178.9 | 66.1 | 0 | 0 | 0 | 112.3 | I382 Y383 A388 H389 Q390 P439 G442 F443 L446 | I382-L386 VanDerWaalsContact O-CB 3.32Å; I382-L386 WeakPolarHBondContact O-CB 3.45Å; I382-L386 PolarHBondContact O-N 3.36Å; Y383-L386 HydrophobicContact CD1-CD2 4.33Å; Y383-L386 PolarHBondContact O-N 2.92Å; L386-A388 VanDerWaalsContact C-N 3.26Å; L386-A388 PolarHBondContact O-N 2.9Å; L386-H389 PolarHBondContact O-N 3.28Å; L386-Q390 HydrophobicContact CD1-CG 4.18Å; L386-Q390 HydrophobicContact CG-CG 4.19Å; L386-Q390 WeakPolarHBondContact O-CG 3.3Å; L386-Q390 PolarHBondContact O-N 3Å; L386-P439 WeakPolarHBondContact CD2-O 3.32Å; L386-G442 VanDerWaalsContact CD1-C 3.41Å; L386-F443 HydrophobicContact CB-CE1 4.48Å; L386-F443 HydrophobicContact CB-CE2 4.35Å; L386-F443 HydrophobicContact CB-CZ 4.04Å; L386-F443 HydrophobicContact CD1-CD1 4.19Å; L386-F443 HydrophobicContact CD1-CE1 4.25Å; L386-F443 HydrophobicContact CD1-CG 4.35Å; L386-F443 HydrophobicContact CD1-CZ 4.45Å; L386-L446 HydrophobicContact CD1-CD1 3.84Å |
| 387 | C | 92.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 180 | -72.2 | 0 | 0 | 0 | 0 | 111 | F330 K336 Y383 H389 Q390 I391 | F330-C387 HydrophobicContact CE2-CB 4.35Å; K336-C387 PolarHBondContact O-SG 3.33Å; Y383-C387 VanDerWaalsContact O-CB 3.3Å; Y383-C387 WeakPolarHBondContact O-CB 3.35Å; Y383-C387 PolarHBondContact O-N 2.81Å; Y383-C387 PolarHBondContact O-SG 3.43Å; C387-H389 PolarHBondContact O-N 3.39Å; C387-Q390 PolarHBondContact O-N 3.42Å; C387-I391 WeakPolarHBondContact O-CB 3.45Å; C387-I391 WeakPolarHBondContact O-CD1 3.48Å; C387-I391 WeakPolarHBondContact O-CG1 3.44Å; C387-I391 PolarHBondContact O-N 3.15Å |
| 388 | A | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -49.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F330 V364 M365 A368 R384 H385 L386 Q390 I391 A392 | F330-A388 HydrophobicContact CE2-CB 4.49Å; F330-A388 HydrophobicContact CZ-CB 4.07Å; V364-A388 VanDerWaalsContact CG1-CA 3.43Å; V364-A388 HydrophobicContact CG1-CB 3.45Å; V364-A388 VanDerWaalsContact CG1-CB 3.45Å; M365-A388 HydrophobicContact SD-CB 4.04Å; A368-A388 HydrophobicContact CB-CB 3.49Å; A368-A388 VanDerWaalsContact CB-CB 3.49Å; R384-A388 PolarHBondContact O-N 3.5Å; H385-A388 PolarHBondContact O-N 2.92Å; L386-A388 VanDerWaalsContact C-N 3.26Å; L386-A388 PolarHBondContact O-N 2.9Å; A388-Q390 PolarHBondContact O-N 3Å; A388-I391 PolarHBondContact O-N 3.3Å; A388-A392 VanDerWaalsContact O-CB 3.29Å; A388-A392 WeakPolarHBondContact O-CB 3.45Å; A388-A392 PolarHBondContact O-N 3.07Å |
| 389 | H | 92 | Very high | 86.7 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -37 | 177.5 | -81.5 | -69.1 | 0 | 0 | 0 | 113.9 | M365 H385 L386 C387 A392 R393 A399 Y407 F443 L446 | M365-H389 WeakPolarHBondContact CE-CE1 3.44Å; H385-H389 AromaticContact CD2-CD2 3.52Å; H385-H389 AromaticContact CD2-NE2 3.69Å; H385-H389 AromaticContact NE2-CD2 3.5Å; H385-H389 AromaticContact NE2-NE2 3.19Å; H385-H389 PolarHBondContact NE2-NE2 3.33Å; H385-H389 VanDerWaalsContact NE2-NE2 3.19Å; H385-H389 PolarHBondContact O-CD2 2.97Å; H385-H389 PolarHBondContact O-N 3.49Å; L386-H389 PolarHBondContact O-N 3.28Å; C387-H389 PolarHBondContact O-N 3.39Å; H389-A392 PolarHBondContact O-N 2.9Å; H389-R393 VanDerWaalsContact O-CB 3.31Å; H389-R393 WeakPolarHBondContact O-CB 3.31Å; H389-R393 PolarHBondContact O-N 3.16Å; H389-A399 VanDerWaalsContact CE1-CB 3.46Å; H389-A399 WeakPolarHBondContact CE1-CB 3.44Å; H389-A399 WeakPolarHBondContact ND1-CB 3.31Å; H389-Y407 AromaticContact CE1-CE2 3.83Å; H389-Y407 AromaticContact NE2-CD2 3.74Å; H389-Y407 AromaticContact NE2-CE2 3.26Å; H389-Y407 VanDerWaalsContact NE2-CE2 3.26Å; H389-Y407 WeakPolarHBondContact NE2-CE2 3.4Å; H389-F443 AromaticContact CD2-CE1 3.82Å; H389-L446 HydrophobicContact CB-CD1 3.68Å |
| 390 | Q | 91.8 | Very high | 86.9 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 175.7 | -74 | 174.6 | -22.7 | 0 | 0 | 111.4 | S340 L386 C387 A388 A394 L446 F660 | S340-Q390 PolarHBondContact OG-OE1 2.92Å; L386-Q390 HydrophobicContact CD1-CG 4.18Å; L386-Q390 HydrophobicContact CG-CG 4.19Å; L386-Q390 WeakPolarHBondContact O-CG 3.3Å; L386-Q390 PolarHBondContact O-N 3Å; C387-Q390 PolarHBondContact O-N 3.42Å; A388-Q390 PolarHBondContact O-N 3Å; Q390-A394 WeakPolarHBondContact O-CB 3.3Å; Q390-A394 PolarHBondContact O-N 3.35Å; Q390-L446 HydrophobicContact CG-CD1 4.2Å; Q390-L446 HydrophobicContact CG-CD2 4.31Å; Q390-F660 HydrophobicContact CB-CD1 3.8Å; Q390-F660 HydrophobicContact CB-CD2 4.05Å; Q390-F660 HydrophobicContact CB-CE1 3.92Å; Q390-F660 HydrophobicContact CB-CE2 4.17Å; Q390-F660 HydrophobicContact CB-CG 3.86Å; Q390-F660 HydrophobicContact CB-CZ 4.09Å; Q390-F660 HydrophobicContact CG-CD1 4.36Å; Q390-F660 HydrophobicContact CG-CD2 3.69Å; Q390-F660 HydrophobicContact CG-CE1 4.37Å; Q390-F660 HydrophobicContact CG-CE2 3.71Å; Q390-F660 HydrophobicContact CG-CG 4.03Å; Q390-F660 HydrophobicContact CG-CZ 4.05Å; Q390-F660 VanDerWaalsContact NE2-CE2 3.26Å |
| 391 | I | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 176 | -66.3 | 163.9 | 0 | 0 | 0 | 110.5 | F330 L343 V347 Y360 C387 A388 R393 A394 N395 | F330-I391 HydrophobicContact CD2-CD1 3.96Å; F330-I391 HydrophobicContact CE2-CD1 4.03Å; L343-I391 HydrophobicContact CB-CD1 3.89Å; L343-I391 HydrophobicContact CB-CG1 4.2Å; L343-I391 HydrophobicContact CD1-CD1 3.85Å; L343-I391 HydrophobicContact CG-CD1 4.49Å; V347-I391 HydrophobicContact CG2-CG2 4.2Å; Y360-I391 HydrophobicContact CE1-CG2 4.45Å; C387-I391 WeakPolarHBondContact O-CB 3.45Å; C387-I391 WeakPolarHBondContact O-CD1 3.48Å; C387-I391 WeakPolarHBondContact O-CG1 3.44Å; C387-I391 PolarHBondContact O-N 3.15Å; A388-I391 PolarHBondContact O-N 3.3Å; I391-R393 PolarHBondContact O-N 3.45Å; I391-A394 PolarHBondContact O-N 3.15Å; I391-N395 PolarHBondContact O-N 2.75Å; I391-N395 PolarHBondContact O-ND2 3.05Å |
| 392 | A | 89.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I361 M365 A388 H389 N395 N396 Q397 | I361-A392 HydrophobicContact CG2-CB 3.68Å; M365-A392 HydrophobicContact SD-CB 4.24Å; A388-A392 VanDerWaalsContact O-CB 3.29Å; A388-A392 WeakPolarHBondContact O-CB 3.45Å; A388-A392 PolarHBondContact O-N 3.07Å; H389-A392 PolarHBondContact O-N 2.9Å; A392-N395 CarbonylContact O-C 3.59Å; A392-N395 PolarHBondContact O-N 2.87Å; A392-N395 VanDerWaalsContact O-N 3.16Å; A392-N396 PolarHBondContact O-N 3.31Å; A392-Q397 HydrophobicContact CB-CB 4.34Å; A392-Q397 WeakPolarHBondContact CB-O 3.16Å; A392-Q397 CarbonylContact O-C 3.29Å; A392-Q397 PolarHBondContact O-N 3.11Å |
| 393 | R | 87 | Confident | 87.3 | Confident | 21 Ų | 21 | 29.7 Ų | 29.7 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 177.4 | -169.8 | 175.1 | 178.7 | 67.9 | 17.5 | 112.3 | H389 I391 N395 N396 L446 S449 S450 E453 F660 D661 | H389-R393 VanDerWaalsContact O-CB 3.31Å; H389-R393 WeakPolarHBondContact O-CB 3.31Å; H389-R393 PolarHBondContact O-N 3.16Å; I391-R393 PolarHBondContact O-N 3.45Å; R393-N395 PolarHBondContact O-N 3.46Å; R393-N396 PolarHBondContact O-N 2.96Å; R393-N396 VanDerWaalsContact O-N 3.11Å; R393-L446 HydrophobicContact CB-CD2 4.32Å; R393-L446 VanDerWaalsContact CD-CD2 3.44Å; R393-L446 HydrophobicContact CG-CD2 4.49Å; R393-S449 VanDerWaalsContact CZ-CB 3.48Å; R393-S449 VanDerWaalsContact NH2-CB 3.3Å; R393-S449 PolarHBondContact NH2-O 2.64Å; R393-S450 PolarHBondContact NH1-OG 3.14Å; R393-S450 VanDerWaalsContact NH1-OG 3.08Å; R393-E453 IonicContact CZ-OE2 2.9Å; R393-E453 IonicContact NH1-OE2 3.99Å; R393-E453 PolarHBondContact NH1-OE2 3.14Å; R393-E453 IonicContact NH2-OE2 2.66Å; R393-E453 PolarHBondContact NH2-OE2 2.69Å; R393-F660 CarbonylContact C-O 3.55Å; R393-F660 WeakPolarHBondContact CG-O 3.15Å; R393-D661 IonicContact CZ-OD1 3.45Å; R393-D661 IonicContact NE-OD1 3.76Å; R393-D661 PolarHBondContact NE-OD1 3.45Å; R393-D661 IonicContact NH2-OD1 2.85Å; R393-D661 PolarHBondContact NH2-OD1 3.2Å |
| 394 | A | 85.6 | Confident | 87.4 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.3 | -21.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A344 R348 Q390 I391 F660 | A344-A394 HydrophobicContact CB-CB 3.71Å; R348-A394 PolarHBondContact NH2-O 2.95Å; Q390-A394 WeakPolarHBondContact O-CB 3.3Å; Q390-A394 PolarHBondContact O-N 3.35Å; I391-A394 PolarHBondContact O-N 3.15Å; A394-F660 VanDerWaalsContact CA-O 3.24Å; A394-F660 WeakPolarHBondContact CA-O 3.46Å; A394-F660 PolarHBondContact N-O 3.21Å; A394-F660 VanDerWaalsContact N-O 3.12Å |
| 395 | N | 85.2 | Confident | 87.5 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 27.4 | -179.8 | -67.1 | -76.5 | 0 | 0 | 0 | 114 | A344 R348 I361 I391 A392 R393 Q397 | A344-N395 PolarHBondContact O-ND2 2.96Å; R348-N395 WeakPolarHBondContact CG-OD1 3.37Å; I361-N395 HydrophobicContact CD1-CB 3.54Å; I361-N395 HydrophobicContact CG1-CB 4.44Å; I391-N395 PolarHBondContact O-N 2.75Å; I391-N395 PolarHBondContact O-ND2 3.05Å; A392-N395 CarbonylContact O-C 3.59Å; A392-N395 PolarHBondContact O-N 2.87Å; A392-N395 VanDerWaalsContact O-N 3.16Å; R393-N395 PolarHBondContact O-N 3.46Å; N395-Q397 VanDerWaalsContact C-N 3.3Å; N395-Q397 PolarHBondContact O-N 3.19Å |
| 396 | N | 80.4 | Confident | 87.5 | Confident | 88 Ų | 88 | 29 Ų | 29 | 47% | 0.471 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 23.1 | 173.9 | -58.4 | -34 | 0 | 0 | 0 | 115.8 | R348 A392 R393 Q662 | R348-N396 PolarHBondContact NH2-ND2 3.43Å; A392-N396 PolarHBondContact O-N 3.31Å; R393-N396 PolarHBondContact O-N 2.96Å; R393-N396 VanDerWaalsContact O-N 3.11Å; N396-Q662 VanDerWaalsContact OD1-CG 3.3Å; N396-Q662 WeakPolarHBondContact OD1-CG 3.37Å; N396-Q662 PolarHBondContact OD1-NE2 3.49Å |
| 397 | Q | 80.2 | Confident | 87.4 | Confident | 80 Ų | 80 | 30.3 Ų | 30.3 | 37% | 0.374 | 17% | 0.169 | S | C | . | . | trans | -116.8 | 56.8 | 173.4 | -63.2 | -64.2 | -37 | 0 | 0 | 109.4 | I361 A392 N395 | I361-Q397 HydrophobicContact CB-CG 4.44Å; I361-Q397 HydrophobicContact CD1-CB 4.06Å; I361-Q397 HydrophobicContact CD1-CG 3.51Å; I361-Q397 HydrophobicContact CG2-CB 3.78Å; I361-Q397 HydrophobicContact CG2-CG 4.05Å; A392-Q397 HydrophobicContact CB-CB 4.34Å; A392-Q397 WeakPolarHBondContact CB-O 3.16Å; A392-Q397 CarbonylContact O-C 3.29Å; A392-Q397 PolarHBondContact O-N 3.11Å; N395-Q397 VanDerWaalsContact C-N 3.3Å; N395-Q397 PolarHBondContact O-N 3.19Å | ||
| 398 | G | 74 | Confident | 87.3 | Confident | 45 Ų | 45 | 30.3 Ų | 30.3 | 46% | 0.464 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 147.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 399 | A | 77.5 | Confident | 87.2 | Confident | 28 Ų | 28 | 30.4 Ų | 30.4 | 23% | 0.231 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -82.8 | 158.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H389 L404 | H389-A399 VanDerWaalsContact CE1-CB 3.46Å; H389-A399 WeakPolarHBondContact CE1-CB 3.44Å; H389-A399 WeakPolarHBondContact ND1-CB 3.31Å; A399-L404 HydrophobicContact CB-CD1 4.34Å; A399-L404 HydrophobicContact CB-CD2 3.98Å; A399-L404 HydrophobicContact CB-CG 3.98Å |
| 400 | S | 86 | Confident | 87 | Confident | 65 Ų | 65 | 30.9 Ų | 30.9 | 46% | 0.455 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 142.3 | 173.6 | 91.4 | 0 | 0 | 0 | 0 | 110.8 | Q402 S403 L404 | S400-Q402 VanDerWaalsContact C-N 3.25Å; S400-Q402 PolarHBondContact O-N 3.11Å; S400-S403 WeakPolarHBondContact O-CB 3.24Å; S400-S403 PolarHBondContact O-N 3Å; S400-S403 VanDerWaalsContact O-N 3.09Å; S400-S403 WeakPolarHBondContact OG-CB 3.31Å; S400-S403 PolarHBondContact OG-N 3.38Å; S400-S403 VanDerWaalsContact OG-N 3.13Å; S400-S403 PolarHBondContact OG-OG 3.2Å; S400-L404 PolarHBondContact O-N 2.93Å; S400-L404 VanDerWaalsContact O-N 3.13Å |
| 401 | L | 88.5 | Confident | 86.7 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 11% | 0.11 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.6 | -41.7 | 177.2 | 175.5 | 62.4 | 0 | 0 | 0 | 112.4 | S403 L404 L405 S447 L451 W474 V989 L990 | L401-S403 VanDerWaalsContact C-N 3.34Å; L401-S403 PolarHBondContact O-N 2.86Å; L401-L404 PolarHBondContact O-N 2.77Å; L401-L405 HydrophobicContact CD1-CD1 4.08Å; L401-L405 HydrophobicContact CD1-CG 4.22Å; L401-L405 HydrophobicContact CG-CD1 4.07Å; L401-L405 WeakPolarHBondContact O-CG 3.29Å; L401-L405 PolarHBondContact O-N 2.79Å; L401-S447 WeakPolarHBondContact CD1-O 3.4Å; L401-L451 HydrophobicContact CD1-CB 4.42Å; L401-L451 HydrophobicContact CD2-CB 4.39Å; L401-L451 HydrophobicContact CD2-CD1 4.12Å; L401-W474 HydrophobicContact CD1-CH2 4.28Å; L401-W474 HydrophobicContact CD1-CZ3 4.09Å; L401-W474 HydrophobicContact CD2-CH2 4.36Å; L401-V989 HydrophobicContact CD2-CG1 3.19Å; L401-L990 HydrophobicContact CD2-CD2 4.04Å; L401-L990 HydrophobicContact CG-CD2 4.26Å |
| 402 | Q | 90.6 | Very high | 86.3 | Confident | 58 Ų | 58 | 30.3 Ų | 30.3 | 27% | 0.271 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 178.6 | -68.9 | -175 | 2.9 | 0 | 0 | 112.2 | S400 R406 L990 F994 | S400-Q402 VanDerWaalsContact C-N 3.25Å; S400-Q402 PolarHBondContact O-N 3.11Å; Q402-R406 WeakPolarHBondContact O-CB 3.37Å; Q402-R406 VanDerWaalsContact O-CG 3.31Å; Q402-R406 WeakPolarHBondContact O-CG 3.4Å; Q402-R406 PolarHBondContact O-N 3.31Å; Q402-L990 HydrophobicContact CG-CD2 3.93Å; Q402-F994 HydrophobicContact CB-CD2 4.06Å; Q402-F994 HydrophobicContact CB-CE2 3.69Å; Q402-F994 HydrophobicContact CB-CZ 4.26Å; Q402-F994 HydrophobicContact CG-CD2 3.99Å; Q402-F994 HydrophobicContact CG-CE2 4.06Å; Q402-F994 HydrophobicContact CG-CG 4.4Å; Q402-F994 WeakPolarHBondContact O-CE2 3.45Å; Q402-F994 WeakPolarHBondContact O-CZ 3.4Å |
| 403 | S | 89 | Confident | 86 | Confident | 36 Ų | 36 | 32.4 Ų | 32.4 | 25% | 0.252 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 175.7 | -58 | 0 | 0 | 0 | 0 | 111.1 | S400 L401 L405 R406 Y407 | S400-S403 WeakPolarHBondContact O-CB 3.24Å; S400-S403 PolarHBondContact O-N 3Å; S400-S403 VanDerWaalsContact O-N 3.09Å; S400-S403 WeakPolarHBondContact OG-CB 3.31Å; S400-S403 PolarHBondContact OG-N 3.38Å; S400-S403 VanDerWaalsContact OG-N 3.13Å; S400-S403 PolarHBondContact OG-OG 3.2Å; L401-S403 VanDerWaalsContact C-N 3.34Å; L401-S403 PolarHBondContact O-N 2.86Å; S403-L405 PolarHBondContact O-N 2.83Å; S403-R406 WeakPolarHBondContact O-CB 3.36Å; S403-R406 PolarHBondContact O-N 3.04Å; S403-R406 VanDerWaalsContact O-N 3.17Å; S403-Y407 WeakPolarHBondContact O-CD2 3.45Å; S403-Y407 VanDerWaalsContact O-CG 3.22Å; S403-Y407 PolarHBondContact O-N 2.98Å |
| 404 | L | 91.5 | Very high | 85.5 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | -179.3 | -65.8 | 170.4 | 0 | 0 | 0 | 112.1 | A399 S400 L401 Y407 Y408 F443 L446 S447 S450 | A399-L404 HydrophobicContact CB-CD1 4.34Å; A399-L404 HydrophobicContact CB-CD2 3.98Å; A399-L404 HydrophobicContact CB-CG 3.98Å; S400-L404 PolarHBondContact O-N 2.93Å; S400-L404 VanDerWaalsContact O-N 3.13Å; L401-L404 PolarHBondContact O-N 2.77Å; L404-Y407 PolarHBondContact O-N 3.06Å; L404-Y408 PolarHBondContact O-N 3.43Å; L404-F443 HydrophobicContact CD2-CD1 4.19Å; L404-L446 HydrophobicContact CD1-CB 3.89Å; L404-L446 HydrophobicContact CD2-CB 4.15Å; L404-L446 HydrophobicContact CD2-CD1 4.22Å; L404-S447 WeakPolarHBondContact CB-OG 3.39Å; L404-S450 WeakPolarHBondContact CD1-OG 3.28Å |
| 405 | L | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 174.9 | -70.5 | 173.4 | 0 | 0 | 0 | 112.5 | L401 S403 Y407 Y408 F409 W474 L990 F994 L1001 | L401-L405 HydrophobicContact CD1-CD1 4.08Å; L401-L405 HydrophobicContact CD1-CG 4.22Å; L401-L405 HydrophobicContact CG-CD1 4.07Å; L401-L405 WeakPolarHBondContact O-CG 3.29Å; L401-L405 PolarHBondContact O-N 2.79Å; S403-L405 PolarHBondContact O-N 2.83Å; L405-Y407 VanDerWaalsContact C-N 3.31Å; L405-Y407 PolarHBondContact O-N 3.31Å; L405-Y408 WeakPolarHBondContact O-CB 3.39Å; L405-Y408 PolarHBondContact O-N 2.81Å; L405-F409 VanDerWaalsContact O-CD2 3.24Å; L405-F409 WeakPolarHBondContact O-CD2 3.23Å; L405-F409 PolarHBondContact O-N 3.49Å; L405-W474 HydrophobicContact CD1-CH2 3.79Å; L405-W474 HydrophobicContact CD1-CZ2 4.34Å; L405-W474 HydrophobicContact CD1-CZ3 4.3Å; L405-W474 HydrophobicContact CD2-CH2 4.42Å; L405-W474 HydrophobicContact CD2-CZ3 4.22Å; L405-L990 HydrophobicContact CD1-CD1 4.21Å; L405-L990 HydrophobicContact CD1-CD2 4.03Å; L405-F994 HydrophobicContact CB-CE1 4.11Å; L405-F994 HydrophobicContact CB-CZ 3.86Å; L405-F994 HydrophobicContact CD1-CE1 4.16Å; L405-L1001 HydrophobicContact CD1-CD1 3.99Å; L405-L1001 HydrophobicContact CD1-CD2 4.33Å; L405-L1001 HydrophobicContact CD2-CD2 4.13Å |
| 406 | R | 90.5 | Very high | 85.1 | Confident | 113 Ų | 113 | 34.7 Ų | 34.7 | 43% | 0.426 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 172.3 | -79.6 | 171.8 | 179.1 | 173.4 | 6.2 | 111.9 | Q402 S403 G410 F994 Y998 | Q402-R406 WeakPolarHBondContact O-CB 3.37Å; Q402-R406 VanDerWaalsContact O-CG 3.31Å; Q402-R406 WeakPolarHBondContact O-CG 3.4Å; Q402-R406 PolarHBondContact O-N 3.31Å; S403-R406 WeakPolarHBondContact O-CB 3.36Å; S403-R406 PolarHBondContact O-N 3.04Å; S403-R406 VanDerWaalsContact O-N 3.17Å; R406-G410 VanDerWaalsContact O-CA 3.28Å; R406-G410 WeakPolarHBondContact O-CA 3.24Å; R406-G410 PolarHBondContact O-N 3.43Å; R406-F994 HydrophobicContact CG-CE2 3.66Å; R406-F994 HydrophobicContact CG-CZ 3.95Å; R406-Y998 HydrophobicContact CG-CE2 4.24Å |
| 407 | Y | 89.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 35.7 Ų | 35.7 | 13% | 0.129 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 175.5 | -56.8 | -34.1 | 0 | 0 | 0 | 111.3 | F374 H385 H389 S403 L404 L405 G410 Y411 F443 | F374-Y407 HydrophobicContact CE1-CD1 4.03Å; F374-Y407 AromaticContact CZ-CD1 3.91Å; F374-Y407 HydrophobicContact CZ-CD1 3.91Å; F374-Y407 HydrophobicContact CZ-CE1 4.33Å; H385-Y407 AromaticContact CE1-CD1 3.67Å; H385-Y407 AromaticContact CE1-CD2 3.64Å; H385-Y407 AromaticContact CE1-CE1 3.76Å; H385-Y407 AromaticContact CE1-CE2 3.73Å; H385-Y407 AromaticContact CE1-CG 3.61Å; H385-Y407 AromaticContact CE1-CZ 3.77Å; H385-Y407 AromaticContact NE2-CD2 3.88Å; H385-Y407 AromaticContact NE2-CE2 3.65Å; H385-Y407 AromaticContact NE2-CZ 3.85Å; H389-Y407 AromaticContact CE1-CE2 3.83Å; H389-Y407 AromaticContact NE2-CD2 3.74Å; H389-Y407 AromaticContact NE2-CE2 3.26Å; H389-Y407 VanDerWaalsContact NE2-CE2 3.26Å; H389-Y407 WeakPolarHBondContact NE2-CE2 3.4Å; S403-Y407 WeakPolarHBondContact O-CD2 3.45Å; S403-Y407 VanDerWaalsContact O-CG 3.22Å; S403-Y407 PolarHBondContact O-N 2.98Å; L404-Y407 PolarHBondContact O-N 3.06Å; L405-Y407 VanDerWaalsContact C-N 3.31Å; L405-Y407 PolarHBondContact O-N 3.31Å; Y407-G410 PolarHBondContact O-N 3.28Å; Y407-Y411 WeakPolarHBondContact O-CD2 3.27Å; Y407-Y411 PolarHBondContact O-N 3.42Å; Y407-F443 HydrophobicContact CD2-CD1 4.32Å; Y407-F443 HydrophobicContact CD2-CE1 4.17Å |
| 408 | Y | 90.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.7 | -56.7 | 175.4 | -178.3 | -97.8 | 0 | 0 | 0 | 112.5 | L404 L405 A412 R415 V440 F443 L444 I478 | L404-Y408 PolarHBondContact O-N 3.43Å; L405-Y408 WeakPolarHBondContact O-CB 3.39Å; L405-Y408 PolarHBondContact O-N 2.81Å; Y408-A412 PolarHBondContact O-N 2.89Å; Y408-R415 HydrophobicContact CE1-CB 4.48Å; Y408-R415 VanDerWaalsContact OH-CD 3.31Å; Y408-R415 WeakPolarHBondContact OH-CD 3.49Å; Y408-R415 PolarHBondContact OH-NH1 2.89Å; Y408-V440 HydrophobicContact CD2-CG1 3.65Å; Y408-V440 WeakPolarHBondContact CD2-O 3.31Å; Y408-V440 HydrophobicContact CE2-CG1 4.12Å; Y408-V440 HydrophobicContact CG-CG1 4.22Å; Y408-V440 VanDerWaalsContact O-CG1 3.27Å; Y408-V440 WeakPolarHBondContact O-CG1 3.26Å; Y408-F443 HydrophobicContact CD2-CB 4.5Å; Y408-L444 HydrophobicContact CD2-CB 3.71Å; Y408-L444 HydrophobicContact CE2-CB 3.53Å; Y408-L444 HydrophobicContact CE2-CD2 4.09Å; Y408-L444 HydrophobicContact CE2-CG 4.28Å; Y408-I478 HydrophobicContact CE1-CG2 3.58Å; Y408-I478 PolarHBondContact OH-O 3.42Å |
| 409 | F | 89.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.013 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76 | -23.4 | 179.7 | -65.3 | -61.3 | 0 | 0 | 0 | 113.5 | L405 A412 P413 I478 Y998 L1001 | L405-F409 VanDerWaalsContact O-CD2 3.24Å; L405-F409 WeakPolarHBondContact O-CD2 3.23Å; L405-F409 PolarHBondContact O-N 3.49Å; F409-A412 CarbonylContact O-C 3.26Å; F409-A412 VanDerWaalsContact O-C 3.29Å; F409-P413 WeakPolarHBondContact O-CA 3.42Å; F409-I478 HydrophobicContact CE1-CG2 4.23Å; F409-I478 HydrophobicContact CZ-CG2 4.24Å; F409-Y998 HydrophobicContact CB-CD1 3.95Å; F409-Y998 HydrophobicContact CB-CE1 3.39Å; F409-Y998 AromaticContact CD2-CD1 3.6Å; F409-Y998 HydrophobicContact CD2-CD1 3.6Å; F409-Y998 HydrophobicContact CD2-CD2 4.29Å; F409-Y998 AromaticContact CD2-CE1 3.85Å; F409-Y998 HydrophobicContact CD2-CE1 3.85Å; F409-Y998 HydrophobicContact CD2-CE2 4.48Å; F409-Y998 AromaticContact CD2-CG 3.83Å; F409-Y998 HydrophobicContact CD2-CG 3.83Å; F409-Y998 HydrophobicContact CE2-CD1 4.21Å; F409-Y998 HydrophobicContact CE2-CG 4.18Å; F409-Y998 AromaticContact CG-CD1 3.78Å; F409-Y998 HydrophobicContact CG-CD1 3.78Å; F409-Y998 AromaticContact CG-CE1 3.77Å; F409-Y998 HydrophobicContact CG-CE1 3.77Å; F409-Y998 HydrophobicContact CG-CG 4.47Å; F409-L1001 HydrophobicContact CE2-CD1 4.05Å; F409-L1001 HydrophobicContact CE2-CD2 3.81Å; F409-L1001 HydrophobicContact CE2-CG 3.95Å; F409-L1001 HydrophobicContact CZ-CD2 3.91Å; F409-L1001 HydrophobicContact CZ-CG 4.19Å |
| 410 | G | 87.4 | Confident | 84.6 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R406 Y407 | R406-G410 VanDerWaalsContact O-CA 3.28Å; R406-G410 WeakPolarHBondContact O-CA 3.24Å; R406-G410 PolarHBondContact O-N 3.43Å; Y407-G410 PolarHBondContact O-N 3.28Å |
| 411 | Y | 85.4 | Confident | 84 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.5 | -29.8 | 176.8 | -70.3 | -62.5 | 0 | 0 | 0 | 113.1 | F374 I382 H385 Y407 V440 F443 | F374-Y411 HydrophobicContact CD1-CD1 4.06Å; F374-Y411 HydrophobicContact CD1-CD2 4.44Å; F374-Y411 HydrophobicContact CD1-CE1 4.04Å; F374-Y411 HydrophobicContact CD1-CE2 4.41Å; F374-Y411 HydrophobicContact CD1-CG 4.25Å; F374-Y411 HydrophobicContact CE1-CD2 4.47Å; F374-Y411 HydrophobicContact CE1-CE2 4.23Å; I382-Y411 HydrophobicContact CD1-CD1 4.26Å; I382-Y411 HydrophobicContact CD1-CG 4.39Å; I382-Y411 HydrophobicContact CG1-CD1 3.86Å; I382-Y411 HydrophobicContact CG1-CE1 4.06Å; I382-Y411 HydrophobicContact CG1-CG 4.17Å; I382-Y411 HydrophobicContact CG2-CD2 4.28Å; I382-Y411 HydrophobicContact CG2-CG 4.5Å; H385-Y411 AromaticContact ND1-CE2 3.57Å; H385-Y411 AromaticContact ND1-CZ 3.71Å; H385-Y411 PolarHBondContact ND1-OH 3.4Å; Y407-Y411 WeakPolarHBondContact O-CD2 3.27Å; Y407-Y411 PolarHBondContact O-N 3.42Å; Y411-V440 HydrophobicContact CG-CG2 4.36Å; Y411-F443 HydrophobicContact CD2-CD2 4.4Å; Y411-F443 AromaticContact CD2-CE2 3.86Å; Y411-F443 HydrophobicContact CD2-CE2 3.86Å; Y411-F443 AromaticContact CE2-CE2 3.82Å; Y411-F443 HydrophobicContact CE2-CE2 3.82Å; Y411-F443 HydrophobicContact CE2-CZ 4.1Å |
| 412 | A | 83.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | trans | -128.4 | 69.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y408 F409 D414 R415 Y438 V440 | Y408-A412 PolarHBondContact O-N 2.89Å; F409-A412 CarbonylContact O-C 3.26Å; F409-A412 VanDerWaalsContact O-C 3.29Å; A412-D414 WeakPolarHBondContact CA-OD1 3.29Å; A412-D414 PolarHBondContact O-N 3.23Å; A412-R415 HydrophobicContact CB-CG 3.87Å; A412-R415 WeakPolarHBondContact O-CB 3.47Å; A412-R415 PolarHBondContact O-N 2.93Å; A412-R415 VanDerWaalsContact O-N 3.17Å; A412-Y438 HydrophobicContact CB-CE1 4.18Å; A412-V440 HydrophobicContact CB-CG1 4.08Å | ||
| 413 | P | 81.6 | Confident | 82 | Confident | 45 Ų | 45 | 36.7 Ų | 36.7 | 29% | 0.292 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30 | -176.8 | 26 | -34.6 | 0 | 0 | 0 | 112.7 | F409 R415 S416 E417 | F409-P413 WeakPolarHBondContact O-CA 3.42Å; P413-R415 PolarHBondContact O-N 3.03Å; P413-S416 PolarHBondContact O-N 3.43Å; P413-S416 PolarHBondContact O-OG 2.9Å; P413-E417 PolarHBondContact O-N 3.17Å; P413-E417 VanDerWaalsContact O-N 3.1Å |
| 414 | D | 78.3 | Confident | 81.1 | Confident | 66 Ų | 66 | 41.4 Ų | 41.4 | 35% | 0.353 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -53.6 | -33.6 | 174.3 | 52.1 | -56.2 | 0 | 0 | 0 | 112.5 | A412 S416 E417 V418 | A412-D414 WeakPolarHBondContact CA-OD1 3.29Å; A412-D414 PolarHBondContact O-N 3.23Å; D414-S416 VanDerWaalsContact C-N 3.28Å; D414-S416 PolarHBondContact O-N 3.31Å; D414-E417 PolarHBondContact O-N 3.46Å; D414-V418 VanDerWaalsContact O-CB 3.24Å; D414-V418 WeakPolarHBondContact O-CB 3.36Å; D414-V418 VanDerWaalsContact O-CG2 3.26Å; D414-V418 WeakPolarHBondContact O-CG2 3.44Å; D414-V418 PolarHBondContact O-N 3.2Å |
| 415 | R | 80.1 | Confident | 79.6 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -32.5 | 177.3 | -63.2 | -175.4 | 171.7 | -170.7 | -17.6 | 112.8 | Y408 A412 P413 L419 D441 | Y408-R415 HydrophobicContact CE1-CB 4.48Å; Y408-R415 VanDerWaalsContact OH-CD 3.31Å; Y408-R415 WeakPolarHBondContact OH-CD 3.49Å; Y408-R415 PolarHBondContact OH-NH1 2.89Å; A412-R415 HydrophobicContact CB-CG 3.87Å; A412-R415 WeakPolarHBondContact O-CB 3.47Å; A412-R415 PolarHBondContact O-N 2.93Å; A412-R415 VanDerWaalsContact O-N 3.17Å; P413-R415 PolarHBondContact O-N 3.03Å; R415-L419 WeakPolarHBondContact O-CB 3.45Å; R415-L419 WeakPolarHBondContact O-CD1 3.41Å; R415-L419 WeakPolarHBondContact O-CG 3.39Å; R415-D441 IonicContact CZ-OD1 3.58Å; R415-D441 IonicContact NH1-OD1 3.46Å; R415-D441 PolarHBondContact NH1-OD1 3.26Å; R415-D441 IonicContact NH2-OD1 2.62Å; R415-D441 PolarHBondContact NH2-OD1 2.66Å; R415-D441 IonicContact NH2-OD2 2.64Å |
| 416 | S | 80.4 | Confident | 77.6 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79.7 | -47.4 | 173.6 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | P413 D414 L420 V1000 | P413-S416 PolarHBondContact O-N 3.43Å; P413-S416 PolarHBondContact O-OG 2.9Å; D414-S416 VanDerWaalsContact C-N 3.28Å; D414-S416 PolarHBondContact O-N 3.31Å; S416-L420 WeakPolarHBondContact O-CB 3.22Å; S416-L420 PolarHBondContact O-N 2.91Å; S416-V1000 WeakPolarHBondContact O-CG2 3.47Å |
| 417 | E | 78.1 | Confident | 75.6 | Confident | 108 Ų | 108 | 52.4 Ų | 52.4 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | -172.9 | -67.1 | -180 | -167.9 | 0 | 0 | 113.4 | P413 D414 K421 | P413-E417 PolarHBondContact O-N 3.17Å; P413-E417 VanDerWaalsContact O-N 3.1Å; D414-E417 PolarHBondContact O-N 3.46Å; E417-K421 WeakPolarHBondContact O-CG 3.26Å; E417-K421 PolarHBondContact O-N 3.49Å; E417-K421 VanDerWaalsContact O-N 3.15Å |
| 418 | V | 73.5 | Confident | 73.6 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -41.6 | -180 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | D414 K421 K422 V428 | D414-V418 VanDerWaalsContact O-CB 3.24Å; D414-V418 WeakPolarHBondContact O-CB 3.36Å; D414-V418 VanDerWaalsContact O-CG2 3.26Å; D414-V418 WeakPolarHBondContact O-CG2 3.44Å; D414-V418 PolarHBondContact O-N 3.2Å; V418-K421 PolarHBondContact O-N 2.9Å; V418-K422 HydrophobicContact CG1-CD 4.37Å; V418-K422 WeakPolarHBondContact O-CG 3.35Å; V418-K422 PolarHBondContact O-N 2.77Å; V418-V428 HydrophobicContact CG1-CG1 4.33Å |
| 419 | L | 74.7 | Confident | 71.6 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.3 | -70.5 | 178.3 | 0 | 0 | 0 | 111.7 | R415 K421 K422 L423 V477 I478 E481 V1000 | R415-L419 WeakPolarHBondContact O-CB 3.45Å; R415-L419 WeakPolarHBondContact O-CD1 3.41Å; R415-L419 WeakPolarHBondContact O-CG 3.39Å; L419-K421 VanDerWaalsContact C-N 3.34Å; L419-K421 PolarHBondContact O-N 2.92Å; L419-K422 PolarHBondContact O-N 3.37Å; L419-L423 WeakPolarHBondContact O-CB 3.43Å; L419-L423 VanDerWaalsContact O-CG 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.49Å; L419-L423 PolarHBondContact O-N 2.95Å; L419-V477 HydrophobicContact CD2-CG1 4.28Å; L419-I478 HydrophobicContact CD1-CB 4.37Å; L419-I478 HydrophobicContact CD1-CG1 4.23Å; L419-I478 HydrophobicContact CD1-CG2 4.41Å; L419-E481 HydrophobicContact CD2-CG 4.48Å; L419-E481 WeakPolarHBondContact CD2-OE2 3.37Å; L419-V1000 HydrophobicContact CB-CG1 3.57Å; L419-V1000 HydrophobicContact CB-CG2 4.29Å; L419-V1000 HydrophobicContact CD1-CG1 3.69Å; L419-V1000 HydrophobicContact CG-CG1 4.27Å |
| 420 | L | 75.5 | Confident | 69.6 | Low | 53 Ų | 53 | 64.9 Ų | 64.9 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.2 | -50.1 | 172.7 | -106.7 | 141.9 | 0 | 0 | 0 | 111.3 | S416 K422 L423 E424 P999 V1000 | S416-L420 WeakPolarHBondContact O-CB 3.22Å; S416-L420 PolarHBondContact O-N 2.91Å; L420-K422 VanDerWaalsContact C-N 3.32Å; L420-K422 PolarHBondContact O-N 2.96Å; L420-L423 PolarHBondContact O-N 3.44Å; L420-E424 WeakPolarHBondContact O-CG 3.42Å; L420-E424 PolarHBondContact O-N 3.31Å; L420-P999 HydrophobicContact CD1-CG 3.8Å; L420-P999 HydrophobicContact CD2-CG 3.88Å; L420-P999 HydrophobicContact CG-CG 4.11Å; L420-V1000 HydrophobicContact CB-CG2 4.26Å; L420-V1000 HydrophobicContact CD1-CG2 3.63Å; L420-V1000 HydrophobicContact CG-CG2 3.63Å |
| 421 | K | 74.7 | Confident | 67.5 | Low | 104 Ų | 104 | 72.5 Ų | 72.5 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 178.9 | -71.8 | 169.8 | -176.4 | 168.2 | 0 | 113 | E417 V418 L419 E424 V426 V428 | E417-K421 WeakPolarHBondContact O-CG 3.26Å; E417-K421 PolarHBondContact O-N 3.49Å; E417-K421 VanDerWaalsContact O-N 3.15Å; V418-K421 PolarHBondContact O-N 2.9Å; L419-K421 VanDerWaalsContact C-N 3.34Å; L419-K421 PolarHBondContact O-N 2.92Å; K421-E424 PolarHBondContact O-N 3.01Å; K421-V426 PolarHBondContact O-N 3.36Å; K421-V428 HydrophobicContact CB-CG2 3.87Å |
| 422 | K | 70.5 | Confident | 65.8 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 21% | 0.213 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 175.8 | -78.5 | 179.7 | 171.6 | 178.1 | 0 | 112.3 | V418 L419 L420 E424 D425 V428 N430 E481 | V418-K422 HydrophobicContact CG1-CD 4.37Å; V418-K422 WeakPolarHBondContact O-CG 3.35Å; V418-K422 PolarHBondContact O-N 2.77Å; L419-K422 PolarHBondContact O-N 3.37Å; L420-K422 VanDerWaalsContact C-N 3.32Å; L420-K422 PolarHBondContact O-N 2.96Å; K422-E424 PolarHBondContact O-N 2.86Å; K422-D425 PolarHBondContact O-N 2.81Å; K422-V428 HydrophobicContact CG-CB 4.23Å; K422-V428 HydrophobicContact CG-CG2 4.34Å; K422-N430 VanDerWaalsContact CE-OD1 3.22Å; K422-N430 WeakPolarHBondContact CE-OD1 3.31Å; K422-N430 PolarHBondContact NZ-OD1 2.86Å; K422-E481 WeakPolarHBondContact CD-OE1 3.47Å; K422-E481 WeakPolarHBondContact CE-OE1 3.35Å; K422-E481 IonicContact NZ-OE1 3.77Å; K422-E481 PolarHBondContact NZ-OE1 3.19Å |
| 423 | L | 67.2 | Low | 64.3 | Low | 74 Ų | 74 | 80.3 Ų | 80.3 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.8 | -24.3 | 176.9 | -70.9 | 172.7 | 0 | 0 | 0 | 112.5 | L419 L420 D425 V1000 P1004 | L419-L423 WeakPolarHBondContact O-CB 3.43Å; L419-L423 VanDerWaalsContact O-CG 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.49Å; L419-L423 PolarHBondContact O-N 2.95Å; L420-L423 PolarHBondContact O-N 3.44Å; L423-D425 PolarHBondContact O-N 2.76Å; L423-V1000 HydrophobicContact CD1-CG1 4.26Å; L423-P1004 HydrophobicContact CD2-CB 4.07Å; L423-P1004 HydrophobicContact CD2-CG 3.71Å |
| 424 | E | 68.5 | Low | 63 | Low | 134 Ų | 134 | 81.9 Ų | 81.9 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 15.4 | 172.8 | -69.3 | 177.6 | 173.1 | 0 | 0 | 113.6 | L420 K421 K422 V426 | L420-E424 WeakPolarHBondContact O-CG 3.42Å; L420-E424 PolarHBondContact O-N 3.31Å; K421-E424 PolarHBondContact O-N 3.01Å; K422-E424 PolarHBondContact O-N 2.86Å; E424-V426 PolarHBondContact O-N 3.38Å |
| 425 | D | 61.2 | Low | 62.1 | Low | 159 Ų | 159 | 82.8 Ų | 82.8 | 85% | 0.85 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 25.1 | 179.1 | -76.5 | -28.6 | 0 | 0 | 0 | 115.1 | K422 L423 | K422-D425 PolarHBondContact O-N 2.81Å; L423-D425 PolarHBondContact O-N 2.76Å |
| 426 | V | 49 | Very low | 61.4 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | trans | -83.8 | 125.4 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | K421 E424 V428 | K421-V426 PolarHBondContact O-N 3.36Å; E424-V426 PolarHBondContact O-N 3.38Å; V426-V428 WeakPolarHBondContact O-CG2 3.29Å; V426-V428 PolarHBondContact O-N 2.87Å | ||
| 427 | A | 47.3 | Very low | 61.1 | Low | 103 Ų | 103 | 90.8 Ų | 90.8 | 85% | 0.851 | 49% | 0.494 | S | S | * | . | trans | -61.2 | 93.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 428 | V | 48.8 | Very low | 61.3 | Low | 50 Ų | 50 | 87.6 Ų | 87.6 | 30% | 0.303 | 48% | 0.478 | S | S | . | . | trans | -94.6 | 122.7 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | V418 K421 K422 V426 N430 | V418-V428 HydrophobicContact CG1-CG1 4.33Å; K421-V428 HydrophobicContact CB-CG2 3.87Å; K422-V428 HydrophobicContact CG-CB 4.23Å; K422-V428 HydrophobicContact CG-CG2 4.34Å; V426-V428 WeakPolarHBondContact O-CG2 3.29Å; V426-V428 PolarHBondContact O-N 2.87Å; V428-N430 PolarHBondContact O-N 3.28Å | ||
| 429 | N | 48 | Very low | 61.8 | Low | 131 Ų | 131 | 86 Ų | 86 | 70% | 0.701 | 47% | 0.468 | S | S | * | . | trans | -65.5 | 124.7 | 170.1 | -71.8 | -20.6 | 0 | 0 | 0 | 109.1 | E431 | N429-E431 HydrophobicContact CB-CG 4.42Å; N429-E431 PolarHBondContact O-N 3.21Å | ||
| 430 | N | 48.6 | Very low | 62.4 | Low | 117 Ų | 117 | 85.9 Ų | 85.9 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | trans | -67.6 | 79.1 | 173.9 | -74 | -25.3 | 0 | 0 | 0 | 110.1 | K422 V428 T432 | K422-N430 VanDerWaalsContact CE-OD1 3.22Å; K422-N430 WeakPolarHBondContact CE-OD1 3.31Å; K422-N430 PolarHBondContact NZ-OD1 2.86Å; V428-N430 PolarHBondContact O-N 3.28Å; N430-T432 PolarHBondContact O-N 2.94Å | ||
| 431 | E | 42.9 | Very low | 63.1 | Low | 175 Ų | 175 | 83.5 Ų | 83.5 | 82% | 0.818 | 46% | 0.455 | S | S | * | . | trans | -87.8 | 20.1 | 172.6 | -69.9 | -168.6 | 176.6 | 0 | 0 | 112.9 | N429 T433 | N429-E431 HydrophobicContact CB-CG 4.42Å; N429-E431 PolarHBondContact O-N 3.21Å; E431-T433 PolarHBondContact O-N 2.91Å | ||
| 432 | T | 49.6 | Very low | 63.8 | Low | 64 Ų | 64 | 79 Ų | 79 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | trans | -84.8 | 110.2 | 173.4 | 48.9 | 0 | 0 | 0 | 0 | 109.6 | N430 | N430-T432 PolarHBondContact O-N 2.94Š| ||
| 433 | T | 52 | Low | 64.8 | Low | 108 Ų | 108 | 76.7 Ų | 76.7 | 66% | 0.663 | 43% | 0.428 | S | S | * | . | trans | -56 | 126.2 | 165 | 41.7 | 0 | 0 | 0 | 0 | 108.8 | E431 L435 | E431-T433 PolarHBondContact O-N 2.91Å; T433-L435 PolarHBondContact O-N 3.35Å | ||
| 434 | P | 54.1 | Low | 66 | Low | 78 Ų | 78 | 73.2 Ų | 73.2 | 51% | 0.506 | 41% | 0.41 | S | S | . | . | trans | -59.6 | 114.1 | 178.2 | 24.5 | -32.6 | 0 | 0 | 0 | 109 | N484 L485 | P434-N484 WeakPolarHBondContact CB-OD1 3.44Å; P434-L485 HydrophobicContact CB-CD1 4.49Å | ||
| 435 | L | 59.5 | Low | 67.1 | Low | 85 Ų | 85 | 68.5 Ų | 68.5 | 45% | 0.445 | 39% | 0.389 | S | S | . | . | trans | -92.7 | 131.7 | 173.8 | -77.3 | 156.3 | 0 | 0 | 0 | 108.2 | T433 T483 | T433-L435 PolarHBondContact O-N 3.35Å; L435-T483 HydrophobicContact CB-CG2 4.25Å | ||
| 436 | D | 66 | Low | 68.4 | Low | 106 Ų | 106 | 61.3 Ų | 61.3 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -64.9 | -55 | 179.2 | -72 | -19.4 | 0 | 0 | 0 | 111.7 | L485 N486 | D436-L485 CarbonylContact O-C 3.52Å; D436-L485 WeakPolarHBondContact OD1-CD1 3.48Å; D436-N486 WeakPolarHBondContact O-CA 3.45Å; D436-N486 PolarHBondContact O-N 3.12Å |
| 437 | L | 74.7 | Confident | 70.5 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | trans | -142.8 | 124.3 | -178.4 | -69.9 | 169.1 | 0 | 0 | 0 | 108.4 | ||||
| 438 | Y | 82 | Confident | 72.6 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | trans | -115.7 | 131.5 | 174.8 | -171.4 | -130.1 | 0 | 0 | 0 | 109.6 | A412 V440 D441 | A412-Y438 HydrophobicContact CB-CE1 4.18Å; Y438-V440 HydrophobicContact CD1-CB 3.57Å; Y438-V440 HydrophobicContact CD1-CG2 3.76Å; Y438-V440 HydrophobicContact CE1-CB 3.46Å; Y438-V440 VanDerWaalsContact CE1-CB 3.46Å; Y438-V440 HydrophobicContact CE1-CG1 4.4Å; Y438-V440 HydrophobicContact CE1-CG2 3.16Å; Y438-V440 HydrophobicContact CE2-CG2 4.45Å; Y438-V440 PolarHBondContact O-N 3.06Å; Y438-D441 WeakPolarHBondContact O-CB 3.47Å; Y438-D441 PolarHBondContact O-N 3.31Å | ||
| 439 | P | 83.2 | Confident | 74.4 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -31 | -172.5 | -21.7 | 31.7 | 0 | 0 | 0 | 112.7 | D379 I382 Y383 L386 D441 G442 | D379-P439 HydrophobicContact CB-CG 3.99Å; I382-P439 HydrophobicContact CB-CB 4.05Å; I382-P439 HydrophobicContact CG2-CB 3.68Å; Y383-P439 HydrophobicContact CD1-CB 3.95Å; Y383-P439 HydrophobicContact CD1-CG 4.43Å; Y383-P439 HydrophobicContact CD2-CB 4.25Å; Y383-P439 HydrophobicContact CD2-CG 3.96Å; Y383-P439 HydrophobicContact CE1-CB 3.72Å; Y383-P439 HydrophobicContact CE1-CG 3.98Å; Y383-P439 HydrophobicContact CE2-CB 4.07Å; Y383-P439 HydrophobicContact CE2-CG 3.48Å; Y383-P439 VanDerWaalsContact CE2-CG 3.48Å; Y383-P439 HydrophobicContact CG-CB 4.19Å; Y383-P439 HydrophobicContact CG-CG 4.4Å; Y383-P439 VanDerWaalsContact CZ-CG 3.49Å; L386-P439 WeakPolarHBondContact CD2-O 3.32Å; P439-D441 PolarHBondContact O-N 2.86Å; P439-G442 PolarHBondContact O-N 3.14Å |
| 440 | V | 87.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.1 | 179.5 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | I382 Y408 Y411 A412 Y438 G442 F443 | I382-V440 HydrophobicContact CD1-CG2 3.89Å; I382-V440 HydrophobicContact CG2-CG2 3.81Å; Y408-V440 HydrophobicContact CD2-CG1 3.65Å; Y408-V440 WeakPolarHBondContact CD2-O 3.31Å; Y408-V440 HydrophobicContact CE2-CG1 4.12Å; Y408-V440 HydrophobicContact CG-CG1 4.22Å; Y408-V440 VanDerWaalsContact O-CG1 3.27Å; Y408-V440 WeakPolarHBondContact O-CG1 3.26Å; Y411-V440 HydrophobicContact CG-CG2 4.36Å; A412-V440 HydrophobicContact CB-CG1 4.08Å; Y438-V440 HydrophobicContact CD1-CB 3.57Å; Y438-V440 HydrophobicContact CD1-CG2 3.76Å; Y438-V440 HydrophobicContact CE1-CB 3.46Å; Y438-V440 VanDerWaalsContact CE1-CB 3.46Å; Y438-V440 HydrophobicContact CE1-CG1 4.4Å; Y438-V440 HydrophobicContact CE1-CG2 3.16Å; Y438-V440 HydrophobicContact CE2-CG2 4.45Å; Y438-V440 PolarHBondContact O-N 3.06Å; V440-G442 PolarHBondContact O-N 3.04Å; V440-G442 VanDerWaalsContact O-N 3.15Å; V440-F443 HydrophobicContact CG1-CD2 4.5Å; V440-F443 WeakPolarHBondContact O-CB 3.38Å; V440-F443 PolarHBondContact O-N 3.13Å |
| 441 | D | 88.7 | Confident | 78.1 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -24.8 | 175.7 | -67.3 | -15.2 | 0 | 0 | 0 | 112.6 | R415 Y438 P439 F443 L444 L445 T483 N486 L489 | R415-D441 IonicContact CZ-OD1 3.58Å; R415-D441 IonicContact NH1-OD1 3.46Å; R415-D441 PolarHBondContact NH1-OD1 3.26Å; R415-D441 IonicContact NH2-OD1 2.62Å; R415-D441 PolarHBondContact NH2-OD1 2.66Å; R415-D441 IonicContact NH2-OD2 2.64Å; Y438-D441 WeakPolarHBondContact O-CB 3.47Å; Y438-D441 PolarHBondContact O-N 3.31Å; P439-D441 PolarHBondContact O-N 2.86Å; D441-F443 VanDerWaalsContact C-N 3.27Å; D441-F443 PolarHBondContact O-N 3.18Å; D441-L444 WeakPolarHBondContact O-CB 3.42Å; D441-L444 PolarHBondContact O-N 2.71Å; D441-L444 VanDerWaalsContact O-N 3.14Å; D441-L445 PolarHBondContact O-N 3.5Å; D441-T483 VanDerWaalsContact OD2-CB 3.31Å; D441-T483 WeakPolarHBondContact OD2-CB 3.35Å; D441-T483 VanDerWaalsContact OD2-CG2 3.28Å; D441-T483 WeakPolarHBondContact OD2-CG2 3.39Å; D441-T483 PolarHBondContact OD2-OG1 3.24Å; D441-N486 WeakPolarHBondContact CB-ND2 3.5Å; D441-N486 PolarHBondContact OD2-ND2 3.17Å; D441-L489 HydrophobicContact CB-CD1 4.48Å |
| 442 | G | 90.1 | Very high | 80 | Confident | 9 Ų | 9 | 32 Ų | 32 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -36 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L386 P439 V440 L444 L445 L446 | L386-G442 VanDerWaalsContact CD1-C 3.41Å; P439-G442 PolarHBondContact O-N 3.14Å; V440-G442 PolarHBondContact O-N 3.04Å; V440-G442 VanDerWaalsContact O-N 3.15Å; G442-L444 VanDerWaalsContact C-N 3.34Å; G442-L445 PolarHBondContact O-N 2.85Å; G442-L446 WeakPolarHBondContact O-CG 3.26Å; G442-L446 PolarHBondContact O-N 3.26Å |
| 443 | F | 92.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69 | -34 | 175.4 | -65.8 | -68.9 | 0 | 0 | 0 | 112 | I382 H385 L386 H389 L404 Y407 Y408 Y411 V440 D441 L446 S447 | I382-F443 HydrophobicContact CG2-CE2 3.88Å; H385-F443 HydrophobicContact CB-CZ 4.14Å; H385-F443 AromaticContact CG-CZ 3.88Å; H385-F443 AromaticContact ND1-CZ 3.81Å; L386-F443 HydrophobicContact CB-CE1 4.48Å; L386-F443 HydrophobicContact CB-CE2 4.35Å; L386-F443 HydrophobicContact CB-CZ 4.04Å; L386-F443 HydrophobicContact CD1-CD1 4.19Å; L386-F443 HydrophobicContact CD1-CE1 4.25Å; L386-F443 HydrophobicContact CD1-CG 4.35Å; L386-F443 HydrophobicContact CD1-CZ 4.45Å; H389-F443 AromaticContact CD2-CE1 3.82Å; L404-F443 HydrophobicContact CD2-CD1 4.19Å; Y407-F443 HydrophobicContact CD2-CD1 4.32Å; Y407-F443 HydrophobicContact CD2-CE1 4.17Å; Y408-F443 HydrophobicContact CD2-CB 4.5Å; Y411-F443 HydrophobicContact CD2-CD2 4.4Å; Y411-F443 AromaticContact CD2-CE2 3.86Å; Y411-F443 HydrophobicContact CD2-CE2 3.86Å; Y411-F443 AromaticContact CE2-CE2 3.82Å; Y411-F443 HydrophobicContact CE2-CE2 3.82Å; Y411-F443 HydrophobicContact CE2-CZ 4.1Å; V440-F443 HydrophobicContact CG1-CD2 4.5Å; V440-F443 WeakPolarHBondContact O-CB 3.38Å; V440-F443 PolarHBondContact O-N 3.13Å; D441-F443 VanDerWaalsContact C-N 3.27Å; D441-F443 PolarHBondContact O-N 3.18Å; F443-L446 PolarHBondContact O-N 2.96Å; F443-S447 WeakPolarHBondContact O-CB 3.46Å; F443-S447 PolarHBondContact O-N 3.22Å; F443-S447 PolarHBondContact O-OG 3.42Å |
| 444 | L | 91.8 | Very high | 82 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 173.5 | -175.8 | 61.7 | 0 | 0 | 0 | 111 | Y408 D441 G442 L446 S447 L448 W474 L489 | Y408-L444 HydrophobicContact CD2-CB 3.71Å; Y408-L444 HydrophobicContact CE2-CB 3.53Å; Y408-L444 HydrophobicContact CE2-CD2 4.09Å; Y408-L444 HydrophobicContact CE2-CG 4.28Å; D441-L444 WeakPolarHBondContact O-CB 3.42Å; D441-L444 PolarHBondContact O-N 2.71Å; D441-L444 VanDerWaalsContact O-N 3.14Å; G442-L444 VanDerWaalsContact C-N 3.34Å; L444-L446 PolarHBondContact O-N 2.93Å; L444-S447 WeakPolarHBondContact O-CB 3.16Å; L444-S447 PolarHBondContact O-N 3.43Å; L444-S447 VanDerWaalsContact O-N 3.14Å; L444-L448 HydrophobicContact CG-CD1 4.17Å; L444-L448 VanDerWaalsContact O-CG 3.25Å; L444-L448 WeakPolarHBondContact O-CG 3.37Å; L444-L448 PolarHBondContact O-N 3.31Å; L444-W474 HydrophobicContact CD1-CB 4.4Å; L444-L489 HydrophobicContact CD2-CD2 4.17Å |
| 445 | L | 90.5 | Very high | 82.2 | Confident | 36 Ų | 36 | 33.3 Ų | 33.3 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 175 | -72 | 171.1 | 0 | 0 | 0 | 112 | D441 G442 S447 L448 S449 H488 L489 K492 | D441-L445 PolarHBondContact O-N 3.5Å; G442-L445 PolarHBondContact O-N 2.85Å; L445-S447 VanDerWaalsContact C-N 3.31Å; L445-S447 PolarHBondContact O-N 3.04Å; L445-L448 HydrophobicContact CD2-CD1 4.5Å; L445-L448 PolarHBondContact O-N 3.25Å; L445-S449 PolarHBondContact O-N 3.21Å; L445-H488 HydrophobicContact CD1-CB 3.9Å; L445-L489 HydrophobicContact CD2-CD2 3.68Å; L445-L489 HydrophobicContact CD2-CG 4.44Å; L445-L489 HydrophobicContact CG-CD2 4.12Å; L445-K492 HydrophobicContact CD2-CG 4.1Å |
| 446 | L | 90.4 | Very high | 81.8 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -36 | 175.2 | -66.9 | 172.8 | 0 | 0 | 0 | 112.3 | L386 H389 Q390 R393 L404 G442 F443 L444 S450 | L386-L446 HydrophobicContact CD1-CD1 3.84Å; H389-L446 HydrophobicContact CB-CD1 3.68Å; Q390-L446 HydrophobicContact CG-CD1 4.2Å; Q390-L446 HydrophobicContact CG-CD2 4.31Å; R393-L446 HydrophobicContact CB-CD2 4.32Å; R393-L446 VanDerWaalsContact CD-CD2 3.44Å; R393-L446 HydrophobicContact CG-CD2 4.49Å; L404-L446 HydrophobicContact CD1-CB 3.89Å; L404-L446 HydrophobicContact CD2-CB 4.15Å; L404-L446 HydrophobicContact CD2-CD1 4.22Å; G442-L446 WeakPolarHBondContact O-CG 3.26Å; G442-L446 PolarHBondContact O-N 3.26Å; F443-L446 PolarHBondContact O-N 2.96Å; L444-L446 PolarHBondContact O-N 2.93Å; L446-S450 WeakPolarHBondContact O-CB 3.47Å; L446-S450 PolarHBondContact O-N 3.41Å; L446-S450 PolarHBondContact O-OG 3.35Å |
| 447 | S | 92 | Very high | 81 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 175.2 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | L401 L404 F443 L444 L445 S450 L451 | L401-S447 WeakPolarHBondContact CD1-O 3.4Å; L404-S447 WeakPolarHBondContact CB-OG 3.39Å; F443-S447 WeakPolarHBondContact O-CB 3.46Å; F443-S447 PolarHBondContact O-N 3.22Å; F443-S447 PolarHBondContact O-OG 3.42Å; L444-S447 WeakPolarHBondContact O-CB 3.16Å; L444-S447 PolarHBondContact O-N 3.43Å; L444-S447 VanDerWaalsContact O-N 3.14Å; L445-S447 VanDerWaalsContact C-N 3.31Å; L445-S447 PolarHBondContact O-N 3.04Å; S447-S450 PolarHBondContact O-N 3.47Å; S447-L451 VanDerWaalsContact O-CB 3.25Å; S447-L451 WeakPolarHBondContact O-CB 3.4Å; S447-L451 PolarHBondContact O-N 3.45Å |
| 448 | L | 90.8 | Very high | 79.9 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 176.9 | -69.5 | 161.5 | 0 | 0 | 0 | 111.7 | L444 L445 S450 L451 L452 W474 I475 L489 L767 | L444-L448 HydrophobicContact CG-CD1 4.17Å; L444-L448 VanDerWaalsContact O-CG 3.25Å; L444-L448 WeakPolarHBondContact O-CG 3.37Å; L444-L448 PolarHBondContact O-N 3.31Å; L445-L448 HydrophobicContact CD2-CD1 4.5Å; L445-L448 PolarHBondContact O-N 3.25Å; L448-S450 VanDerWaalsContact C-N 3.34Å; L448-S450 PolarHBondContact O-N 2.89Å; L448-L451 WeakPolarHBondContact O-CB 3.35Å; L448-L451 PolarHBondContact O-N 3.27Å; L448-L452 PolarHBondContact O-N 2.69Å; L448-L452 VanDerWaalsContact O-N 3.11Å; L448-W474 HydrophobicContact CD2-CB 4.09Å; L448-W474 HydrophobicContact CD2-CE3 4.01Å; L448-I475 HydrophobicContact CD1-CD1 3.83Å; L448-I475 HydrophobicContact CD1-CG1 3.37Å; L448-I475 HydrophobicContact CD2-CD1 4.35Å; L448-I475 HydrophobicContact CD2-CG1 4.04Å; L448-I475 HydrophobicContact CG-CG1 4.36Å; L448-L489 HydrophobicContact CD1-CD2 4.34Å; L448-L767 HydrophobicContact CB-CD1 3.77Å |
| 449 | S | 87.4 | Confident | 78.4 | Confident | 16 Ų | 16 | 31.4 Ų | 31.4 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | R393 L445 L451 L452 E453 D661 | R393-S449 VanDerWaalsContact CZ-CB 3.48Å; R393-S449 VanDerWaalsContact NH2-CB 3.3Å; R393-S449 PolarHBondContact NH2-O 2.64Å; L445-S449 PolarHBondContact O-N 3.21Å; S449-L451 VanDerWaalsContact C-N 3.33Å; S449-L451 PolarHBondContact O-N 2.9Å; S449-L452 PolarHBondContact O-N 3.44Å; S449-E453 PolarHBondContact O-N 2.96Å; S449-E453 VanDerWaalsContact O-N 3.09Å; S449-D661 VanDerWaalsContact CB-OD1 3.31Å; S449-D661 WeakPolarHBondContact CB-OD1 3.46Å; S449-D661 PolarHBondContact OG-OD1 3Å; S449-D661 PolarHBondContact OG-OD2 3.31Å; S449-D661 VanDerWaalsContact OG-OD2 3.14Å |
| 450 | S | 87.3 | Confident | 77 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 15% | 0.154 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.5 | -32.7 | 176.4 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | R393 L404 L446 S447 L448 L452 | R393-S450 PolarHBondContact NH1-OG 3.14Å; R393-S450 VanDerWaalsContact NH1-OG 3.08Å; L404-S450 WeakPolarHBondContact CD1-OG 3.28Å; L446-S450 WeakPolarHBondContact O-CB 3.47Å; L446-S450 PolarHBondContact O-N 3.41Å; L446-S450 PolarHBondContact O-OG 3.35Å; S447-S450 PolarHBondContact O-N 3.47Å; L448-S450 VanDerWaalsContact C-N 3.34Å; L448-S450 PolarHBondContact O-N 2.89Å; S450-L452 VanDerWaalsContact C-N 3.31Å |
| 451 | L | 87.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -35.7 | 175 | 174.6 | 64.8 | 0 | 0 | 0 | 111 | L401 S447 L448 S449 T467 L470 S471 W474 R763 V989 | L401-L451 HydrophobicContact CD1-CB 4.42Å; L401-L451 HydrophobicContact CD2-CB 4.39Å; L401-L451 HydrophobicContact CD2-CD1 4.12Å; S447-L451 VanDerWaalsContact O-CB 3.25Å; S447-L451 WeakPolarHBondContact O-CB 3.4Å; S447-L451 PolarHBondContact O-N 3.45Å; L448-L451 WeakPolarHBondContact O-CB 3.35Å; L448-L451 PolarHBondContact O-N 3.27Å; S449-L451 VanDerWaalsContact C-N 3.33Å; S449-L451 PolarHBondContact O-N 2.9Å; L451-T467 HydrophobicContact CD1-CG2 3.99Å; L451-T467 HydrophobicContact CG-CG2 4.5Å; L451-L470 HydrophobicContact CD1-CD2 4.16Å; L451-L470 HydrophobicContact CD2-CB 4.33Å; L451-L470 HydrophobicContact CD2-CD2 4Å; L451-L470 HydrophobicContact CD2-CG 4.21Å; L451-S471 WeakPolarHBondContact CD2-OG 3.45Å; L451-W474 HydrophobicContact CB-CZ3 4.29Å; L451-W474 HydrophobicContact CD1-CH2 4.46Å; L451-W474 HydrophobicContact CD2-CE3 3.98Å; L451-W474 HydrophobicContact CD2-CH2 4.06Å; L451-W474 HydrophobicContact CD2-CZ3 3.7Å; L451-W474 HydrophobicContact CG-CZ3 4.44Å; L451-R763 PolarHBondContact O-NH2 2.96Å; L451-V989 HydrophobicContact CD1-CB 4.39Å; L451-V989 HydrophobicContact CD1-CG1 3.84Å; L451-V989 HydrophobicContact CD1-CG2 4.2Å |
| 452 | L | 83.1 | Confident | 74.3 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -93.2 | -9.5 | -176.3 | -65.5 | 178.2 | 0 | 0 | 0 | 114.2 | L448 S449 S450 R763 D764 I766 L767 | L448-L452 PolarHBondContact O-N 2.69Å; L448-L452 VanDerWaalsContact O-N 3.11Å; S449-L452 PolarHBondContact O-N 3.44Å; S450-L452 VanDerWaalsContact C-N 3.31Å; L452-R763 HydrophobicContact CB-CG 4.3Å; L452-R763 HydrophobicContact CD2-CG 3.8Å; L452-R763 WeakPolarHBondContact O-CG 3.14Å; L452-D764 WeakPolarHBondContact O-CA 3.42Å; L452-D764 PolarHBondContact O-N 2.88Å; L452-I766 HydrophobicContact CD1-CB 4.34Å; L452-L767 HydrophobicContact CD1-CB 4.21Å; L452-L767 HydrophobicContact CD1-CD1 3.44Å; L452-L767 VanDerWaalsContact CD1-CD1 3.44Å; L452-L767 HydrophobicContact CD1-CG 3.41Å; L452-L767 VanDerWaalsContact CD1-CG 3.41Å |
| 453 | E | 79.2 | Confident | 73.6 | Confident | 109 Ų | 109 | 38.6 Ų | 38.6 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | trans | -63.9 | 133 | 178.2 | -161.3 | 165.9 | 169.9 | 0 | 0 | 111.7 | R393 S449 | R393-E453 IonicContact CZ-OE2 2.9Å; R393-E453 IonicContact NH1-OE2 3.99Å; R393-E453 PolarHBondContact NH1-OE2 3.14Å; R393-E453 IonicContact NH2-OE2 2.66Å; R393-E453 PolarHBondContact NH2-OE2 2.69Å; S449-E453 PolarHBondContact O-N 2.96Å; S449-E453 VanDerWaalsContact O-N 3.09Å | ||
| 454 | T | 64.3 | Low | 73.1 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | trans | -129.6 | 132.1 | 179.6 | 55.4 | 0 | 0 | 0 | 0 | 111 | C461 R763 | T454-C461 HydrophobicContact CG2-CB 4.24Å; T454-C461 VanDerWaalsContact CG2-SG 3.51Å; T454-R763 HydrophobicContact CG2-CB 4.35Å; T454-R763 HydrophobicContact CG2-CG 4.33Å | ||
| 455 | S | 57.1 | Low | 72.8 | Confident | 136 Ų | 136 | 39.2 Ų | 39.2 | 95% | 0.951 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -85.7 | -9.5 | 170.3 | 40.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 456 | S | 51 | Low | 72.6 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 32% | 0.315 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -120.8 | 156.2 | -177.6 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | C461 | S456-C461 PolarHBondContact O-SG 3.05Å; S456-C461 PolarHBondContact OG-SG 2.89Å |
| 457 | P | 50.5 | Low | 72.6 | Confident | 56 Ų | 56 | 37.1 Ų | 37.1 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | trans | -61.6 | 146.2 | 177.8 | 25 | -33.4 | 0 | 0 | 0 | 112.4 | Y459 E460 C461 | P457-Y459 VanDerWaalsContact C-N 3.3Å; P457-Y459 HydrophobicContact CB-CD1 4.46Å; P457-Y459 HydrophobicContact CB-CE1 3.87Å; P457-Y459 HydrophobicContact CB-CE2 4.32Å; P457-Y459 HydrophobicContact CG-CE2 4.1Å; P457-Y459 PolarHBondContact O-N 3.16Å; P457-Y459 VanDerWaalsContact O-N 3.09Å; P457-E460 HydrophobicContact CG-CB 4.43Å; P457-E460 HydrophobicContact CG-CG 4.26Å; P457-E460 PolarHBondContact O-N 3.26Å; P457-C461 PolarHBondContact O-N 2.91Å | ||
| 458 | A | 50 | Low | 72.4 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 21% | 0.207 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -53.1 | -35.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E460 C461 K762 | A458-E460 VanDerWaalsContact C-N 3.25Å; A458-E460 PolarHBondContact O-N 2.94Å; A458-C461 PolarHBondContact O-N 3.44Å; A458-K762 HydrophobicContact CB-CB 4.1Å; A458-K762 HydrophobicContact CB-CD 4.26Å; A458-K762 HydrophobicContact CB-CG 3.81Å |
| 459 | Y | 51.7 | Low | 72.5 | Confident | 148 Ų | 148 | 37 Ų | 37 | 58% | 0.58 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -74 | -12.8 | 178.9 | 50.8 | -96.7 | 0 | 0 | 0 | 113.9 | P457 | P457-Y459 VanDerWaalsContact C-N 3.3Å; P457-Y459 HydrophobicContact CB-CD1 4.46Å; P457-Y459 HydrophobicContact CB-CE1 3.87Å; P457-Y459 HydrophobicContact CB-CE2 4.32Å; P457-Y459 HydrophobicContact CG-CE2 4.1Å; P457-Y459 PolarHBondContact O-N 3.16Å; P457-Y459 VanDerWaalsContact O-N 3.09Å |
| 460 | E | 53.1 | Low | 72.7 | Confident | 113 Ų | 113 | 36.3 Ų | 36.3 | 53% | 0.528 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -99.2 | -10.5 | 173.5 | -66.3 | -179.7 | 172.7 | 0 | 0 | 112.3 | P457 A458 P462 | P457-E460 HydrophobicContact CG-CB 4.43Å; P457-E460 HydrophobicContact CG-CG 4.26Å; P457-E460 PolarHBondContact O-N 3.26Å; A458-E460 VanDerWaalsContact C-N 3.25Å; A458-E460 PolarHBondContact O-N 2.94Å; E460-P462 WeakPolarHBondContact O-CD 3.05Å |
| 461 | C | 55.3 | Low | 73 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | trans | -83.5 | 103.9 | -174.8 | -76 | 0 | 0 | 0 | 0 | 111.8 | T454 S456 P457 A458 S464 N868 | T454-C461 HydrophobicContact CG2-CB 4.24Å; T454-C461 VanDerWaalsContact CG2-SG 3.51Å; S456-C461 PolarHBondContact O-SG 3.05Å; S456-C461 PolarHBondContact OG-SG 2.89Å; P457-C461 PolarHBondContact O-N 2.91Å; A458-C461 PolarHBondContact O-N 3.44Å; C461-S464 PolarHBondContact O-OG 2.91Å; C461-S464 VanDerWaalsContact O-OG 3.07Å; C461-N868 PolarHBondContact O-OD1 2.84Å | ||
| 462 | P | 65.6 | Low | 73.3 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 148 | 175.2 | 30.6 | -36.8 | 0 | 0 | 0 | 110.3 | E460 R763 | E460-P462 WeakPolarHBondContact O-CD 3.05Å; P462-R763 PolarHBondContact O-NH1 3.12Å |
| 463 | F | 75.4 | Confident | 73.8 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 25.9 | 174.1 | -50.4 | -70.9 | 0 | 0 | 0 | 116.4 | L465 G466 T467 D867 N984 A985 H988 | F463-L465 PolarHBondContact O-N 3.12Å; F463-G466 PolarHBondContact O-N 3.41Å; F463-T467 HydrophobicContact CB-CG2 4.46Å; F463-T467 WeakPolarHBondContact O-CB 3.43Å; F463-T467 VanDerWaalsContact O-CG2 3.31Å; F463-T467 WeakPolarHBondContact O-CG2 3.46Å; F463-T467 PolarHBondContact O-N 2.9Å; F463-T467 PolarHBondContact O-OG1 3.43Å; F463-D867 WeakPolarHBondContact CA-OD2 3.3Å; F463-N984 HydrophobicContact CD1-CB 4.38Å; F463-N984 HydrophobicContact CE1-CB 3.89Å; F463-A985 HydrophobicContact CB-CB 3.79Å; F463-A985 HydrophobicContact CD1-CB 4.34Å; F463-A985 HydrophobicContact CG-CB 4.26Å; F463-H988 HydrophobicContact CD2-CB 3.93Å; F463-H988 AromaticContact CD2-CD2 3.83Å; F463-H988 AromaticContact CD2-CG 3.6Å; F463-H988 AromaticContact CD2-ND1 3.9Å; F463-H988 HydrophobicContact CE2-CB 3.85Å; F463-H988 AromaticContact CE2-CD2 3.41Å; F463-H988 VanDerWaalsContact CE2-CD2 3.41Å; F463-H988 WeakPolarHBondContact CE2-CD2 3.46Å; F463-H988 AromaticContact CE2-CG 3.57Å; F463-H988 HydrophobicContact CZ-CB 4.48Å |
| 464 | S | 81 | Confident | 74.4 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | -179.9 | -67.4 | 0 | 0 | 0 | 0 | 114.2 | C461 T467 G468 D867 | C461-S464 PolarHBondContact O-OG 2.91Å; C461-S464 VanDerWaalsContact O-OG 3.07Å; S464-T467 PolarHBondContact O-OG1 3.11Å; S464-G468 PolarHBondContact O-N 2.87Å; S464-D867 PolarHBondContact N-OD2 3.07Å |
| 465 | L | 85.3 | Confident | 75.8 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.8 | -43 | 175.8 | 174.3 | 61.4 | 0 | 0 | 0 | 109.3 | F463 T467 G468 L469 F501 L502 W757 D867 P873 | F463-L465 PolarHBondContact O-N 3.12Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.32Å; L465-G468 PolarHBondContact O-N 2.88Å; L465-L469 HydrophobicContact CD1-CD1 4.19Å; L465-L469 HydrophobicContact CD1-CG 4.13Å; L465-L469 HydrophobicContact CG-CD1 3.97Å; L465-L469 HydrophobicContact CG-CG 4.36Å; L465-L469 WeakPolarHBondContact O-CG 3.3Å; L465-L469 PolarHBondContact O-N 3.1Å; L465-F501 HydrophobicContact CD1-CZ 4.35Å; L465-L502 HydrophobicContact CD1-CD2 3.99Å; L465-W757 HydrophobicContact CB-CH2 3.68Å; L465-W757 HydrophobicContact CB-CZ2 4.29Å; L465-D867 WeakPolarHBondContact CA-OD2 3.37Å; L465-D867 WeakPolarHBondContact CB-OD2 3.12Å; L465-D867 PolarHBondContact N-OD2 2.92Å; L465-P873 HydrophobicContact CD2-CG 4.31Å |
| 466 | G | 87.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F463 L470 D867 I981 | F463-G466 PolarHBondContact O-N 3.41Å; G466-L470 VanDerWaalsContact O-CB 3.23Å; G466-L470 WeakPolarHBondContact O-CB 3.33Å; G466-L470 PolarHBondContact O-N 3.11Å; G466-D867 PolarHBondContact N-OD2 3.06Å; G466-D867 VanDerWaalsContact N-OD2 3.12Å; G466-I981 VanDerWaalsContact CA-CG2 3.44Å |
| 467 | T | 88.5 | Confident | 79 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.7 | -33.6 | 175.9 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | L451 F463 S464 L465 L470 S471 R763 A985 V989 | L451-T467 HydrophobicContact CD1-CG2 3.99Å; L451-T467 HydrophobicContact CG-CG2 4.5Å; F463-T467 HydrophobicContact CB-CG2 4.46Å; F463-T467 WeakPolarHBondContact O-CB 3.43Å; F463-T467 VanDerWaalsContact O-CG2 3.31Å; F463-T467 WeakPolarHBondContact O-CG2 3.46Å; F463-T467 PolarHBondContact O-N 2.9Å; F463-T467 PolarHBondContact O-OG1 3.43Å; S464-T467 PolarHBondContact O-OG1 3.11Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.32Å; T467-L470 PolarHBondContact O-N 3.21Å; T467-S471 WeakPolarHBondContact O-CB 3.47Å; T467-S471 PolarHBondContact O-N 2.9Å; T467-S471 PolarHBondContact O-OG 3.18Å; T467-R763 PolarHBondContact OG1-NE 3.28Å; T467-A985 HydrophobicContact CG2-CB 4.06Å; T467-V989 HydrophobicContact CG2-CG2 4.3Å |
| 468 | G | 89.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S464 L465 L470 S471 V472 | S464-G468 PolarHBondContact O-N 2.87Å; L465-G468 PolarHBondContact O-N 2.88Å; G468-L470 VanDerWaalsContact C-N 3.35Å; G468-S471 WeakPolarHBondContact O-CB 3.25Å; G468-S471 PolarHBondContact O-N 2.76Å; G468-V472 PolarHBondContact O-N 3.37Å |
| 469 | L | 91 | Very high | 82.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 172.9 | -71.6 | 171.7 | 0 | 0 | 0 | 111.7 | L465 S471 V472 Y473 L502 F978 A982 F1008 I1011 | L465-L469 HydrophobicContact CD1-CD1 4.19Å; L465-L469 HydrophobicContact CD1-CG 4.13Å; L465-L469 HydrophobicContact CG-CD1 3.97Å; L465-L469 HydrophobicContact CG-CG 4.36Å; L465-L469 WeakPolarHBondContact O-CG 3.3Å; L465-L469 PolarHBondContact O-N 3.1Å; L469-S471 VanDerWaalsContact C-N 3.28Å; L469-S471 PolarHBondContact O-N 3.29Å; L469-V472 WeakPolarHBondContact O-CB 3.31Å; L469-V472 PolarHBondContact O-N 3.4Å; L469-Y473 PolarHBondContact O-N 3.18Å; L469-L502 HydrophobicContact CD2-CD2 4.09Å; L469-F978 HydrophobicContact CD1-CB 3.87Å; L469-F978 HydrophobicContact CD1-CD1 3.8Å; L469-F978 HydrophobicContact CD1-CG 4.05Å; L469-A982 HydrophobicContact CB-CB 4.02Å; L469-F1008 HydrophobicContact CB-CE1 4Å; L469-F1008 HydrophobicContact CB-CZ 4.02Å; L469-F1008 HydrophobicContact CD2-CD1 4.19Å; L469-F1008 HydrophobicContact CD2-CE1 4.25Å; L469-F1008 WeakPolarHBondContact O-CE1 3.37Å; L469-I1011 HydrophobicContact CD2-CD1 4.04Å |
| 470 | L | 91.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | 174 | -171.2 | 65.2 | 0 | 0 | 0 | 111.4 | L451 G466 T467 G468 Y473 W474 C986 | L451-L470 HydrophobicContact CD1-CD2 4.16Å; L451-L470 HydrophobicContact CD2-CB 4.33Å; L451-L470 HydrophobicContact CD2-CD2 4Å; L451-L470 HydrophobicContact CD2-CG 4.21Å; G466-L470 VanDerWaalsContact O-CB 3.23Å; G466-L470 WeakPolarHBondContact O-CB 3.33Å; G466-L470 PolarHBondContact O-N 3.11Å; T467-L470 PolarHBondContact O-N 3.21Å; G468-L470 VanDerWaalsContact C-N 3.35Å; L470-Y473 HydrophobicContact CD1-CD1 4.33Å; L470-Y473 PolarHBondContact O-N 3.31Å; L470-W474 HydrophobicContact CD1-CZ2 4.29Å; L470-W474 HydrophobicContact CD2-CH2 4.26Å; L470-W474 HydrophobicContact CD2-CZ2 3.7Å; L470-W474 HydrophobicContact CG-CD2 4.27Å; L470-W474 HydrophobicContact CG-CZ2 3.92Å; L470-W474 WeakPolarHBondContact O-CB 3.43Å; L470-W474 PolarHBondContact O-N 3.28Å; L470-C986 HydrophobicContact CD1-CB 4.04Å; L470-C986 HydrophobicContact CD2-CB 3.94Å |
| 471 | S | 93.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.8 | -59 | 0 | 0 | 0 | 0 | 111.9 | L451 T467 G468 L469 W474 I475 | L451-S471 WeakPolarHBondContact CD2-OG 3.45Å; T467-S471 WeakPolarHBondContact O-CB 3.47Å; T467-S471 PolarHBondContact O-N 2.9Å; T467-S471 PolarHBondContact O-OG 3.18Å; G468-S471 WeakPolarHBondContact O-CB 3.25Å; G468-S471 PolarHBondContact O-N 2.76Å; L469-S471 VanDerWaalsContact C-N 3.28Å; L469-S471 PolarHBondContact O-N 3.29Å; S471-W474 PolarHBondContact O-N 2.86Å; S471-I475 WeakPolarHBondContact O-CB 3.5Å; S471-I475 VanDerWaalsContact O-CG1 3.25Å; S471-I475 WeakPolarHBondContact O-CG1 3.5Å; S471-I475 PolarHBondContact O-N 2.96Å |
| 472 | V | 93.8 | Very high | 87 | Confident | 5 Ų | 5 | 13 Ų | 13 | 3% | 0.03 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | G468 L469 W474 I475 Y476 L493 L496 Y497 L502 I1011 | G468-V472 PolarHBondContact O-N 3.37Å; L469-V472 WeakPolarHBondContact O-CB 3.31Å; L469-V472 PolarHBondContact O-N 3.4Å; V472-W474 PolarHBondContact O-N 3.32Å; V472-I475 PolarHBondContact O-N 3.5Å; V472-Y476 VanDerWaalsContact O-CB 3.29Å; V472-Y476 WeakPolarHBondContact O-CB 3.39Å; V472-Y476 PolarHBondContact O-N 3.28Å; V472-L493 HydrophobicContact CB-CD1 4.46Å; V472-L493 HydrophobicContact CG1-CD1 4.04Å; V472-L493 HydrophobicContact CG2-CD1 4.37Å; V472-L496 HydrophobicContact CG2-CB 3.73Å; V472-L496 HydrophobicContact CG2-CD1 3.81Å; V472-L496 HydrophobicContact CG2-CD2 4.32Å; V472-L496 HydrophobicContact CG2-CG 4.17Å; V472-Y497 HydrophobicContact CG1-CE1 3.79Å; V472-Y497 WeakPolarHBondContact CG1-OH 3.45Å; V472-Y497 HydrophobicContact CG2-CE1 4.14Å; V472-L502 HydrophobicContact CG2-CD1 3.79Å; V472-I1011 HydrophobicContact CG1-CD1 4.15Å |
| 473 | Y | 93.5 | Very high | 87.8 | Confident | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.016 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 179.4 | 170.6 | -110.1 | 0 | 0 | 0 | 111.9 | L469 L470 I475 Y476 V477 I478 V1000 P1003 A1007 | L469-Y473 PolarHBondContact O-N 3.18Å; L470-Y473 HydrophobicContact CD1-CD1 4.33Å; L470-Y473 PolarHBondContact O-N 3.31Å; Y473-I475 PolarHBondContact O-N 3.41Å; Y473-Y476 PolarHBondContact O-N 3.06Å; Y473-V477 HydrophobicContact CD2-CB 3.96Å; Y473-V477 HydrophobicContact CD2-CG2 3.6Å; Y473-V477 HydrophobicContact CE2-CB 3.7Å; Y473-V477 HydrophobicContact CE2-CG1 3.87Å; Y473-V477 HydrophobicContact CE2-CG2 3.62Å; Y473-V477 WeakPolarHBondContact O-CB 3.47Å; Y473-V477 PolarHBondContact O-N 3.19Å; Y473-I478 HydrophobicContact CE1-CD1 4.25Å; Y473-V1000 VanDerWaalsContact CE1-O 3.27Å; Y473-V1000 WeakPolarHBondContact CE1-O 3.35Å; Y473-V1000 PolarHBondContact OH-O 2.92Å; Y473-P1003 HydrophobicContact CD1-CB 4.11Å; Y473-P1003 HydrophobicContact CD2-CB 4.22Å; Y473-P1003 HydrophobicContact CE1-CB 4.32Å; Y473-P1003 HydrophobicContact CE2-CB 4.39Å; Y473-P1003 HydrophobicContact CG-CB 4.09Å; Y473-A1007 HydrophobicContact CD2-CB 4.06Å; Y473-A1007 HydrophobicContact CE2-CB 4.4Å |
| 474 | W | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -63.3 | -41.7 | 178.4 | -72.3 | 3.2 | 0 | 0 | 0 | 112.6 | L401 L405 L444 L448 L451 L470 S471 V472 I478 G479 L990 L1001 | L401-W474 HydrophobicContact CD1-CH2 4.28Å; L401-W474 HydrophobicContact CD1-CZ3 4.09Å; L401-W474 HydrophobicContact CD2-CH2 4.36Å; L405-W474 HydrophobicContact CD1-CH2 3.79Å; L405-W474 HydrophobicContact CD1-CZ2 4.34Å; L405-W474 HydrophobicContact CD1-CZ3 4.3Å; L405-W474 HydrophobicContact CD2-CH2 4.42Å; L405-W474 HydrophobicContact CD2-CZ3 4.22Å; L444-W474 HydrophobicContact CD1-CB 4.4Å; L448-W474 HydrophobicContact CD2-CB 4.09Å; L448-W474 HydrophobicContact CD2-CE3 4.01Å; L451-W474 HydrophobicContact CB-CZ3 4.29Å; L451-W474 HydrophobicContact CD1-CH2 4.46Å; L451-W474 HydrophobicContact CD2-CE3 3.98Å; L451-W474 HydrophobicContact CD2-CH2 4.06Å; L451-W474 HydrophobicContact CD2-CZ3 3.7Å; L451-W474 HydrophobicContact CG-CZ3 4.44Å; L470-W474 HydrophobicContact CD1-CZ2 4.29Å; L470-W474 HydrophobicContact CD2-CH2 4.26Å; L470-W474 HydrophobicContact CD2-CZ2 3.7Å; L470-W474 HydrophobicContact CG-CD2 4.27Å; L470-W474 HydrophobicContact CG-CZ2 3.92Å; L470-W474 WeakPolarHBondContact O-CB 3.43Å; L470-W474 PolarHBondContact O-N 3.28Å; S471-W474 PolarHBondContact O-N 2.86Å; V472-W474 PolarHBondContact O-N 3.32Å; W474-I478 HydrophobicContact CB-CD1 4.38Å; W474-I478 VanDerWaalsContact CD1-CD1 3.46Å; W474-I478 HydrophobicContact CG-CD1 4Å; W474-I478 WeakPolarHBondContact O-CA 3.23Å; W474-I478 VanDerWaalsContact O-CB 3.26Å; W474-I478 WeakPolarHBondContact O-CB 3.33Å; W474-I478 PolarHBondContact O-N 3.21Å; W474-G479 PolarHBondContact O-N 3.25Å; W474-L990 HydrophobicContact CH2-CD1 4.47Å; W474-L990 HydrophobicContact CZ2-CD1 4.16Å; W474-L1001 HydrophobicContact CD2-CD2 4.42Å; W474-L1001 HydrophobicContact CZ2-CD2 3.86Å; W474-L1001 PolarHBondContact NE1-O 3.17Å |
| 475 | I | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -66.8 | -47.4 | 177.4 | -67.7 | 166.4 | 0 | 0 | 0 | 110.6 | L448 S471 V472 Y473 G479 L480 L489 K492 L493 L496 | L448-I475 HydrophobicContact CD1-CD1 3.83Å; L448-I475 HydrophobicContact CD1-CG1 3.37Å; L448-I475 HydrophobicContact CD2-CD1 4.35Å; L448-I475 HydrophobicContact CD2-CG1 4.04Å; L448-I475 HydrophobicContact CG-CG1 4.36Å; S471-I475 WeakPolarHBondContact O-CB 3.5Å; S471-I475 VanDerWaalsContact O-CG1 3.25Å; S471-I475 WeakPolarHBondContact O-CG1 3.5Å; S471-I475 PolarHBondContact O-N 2.96Å; V472-I475 PolarHBondContact O-N 3.5Å; Y473-I475 PolarHBondContact O-N 3.41Å; I475-G479 WeakPolarHBondContact O-CA 3.23Å; I475-G479 PolarHBondContact O-N 3.3Å; I475-L480 HydrophobicContact CG2-CD1 3.97Å; I475-L480 HydrophobicContact CG2-CG 4.19Å; I475-L480 WeakPolarHBondContact O-CG 3.17Å; I475-L480 PolarHBondContact O-N 3.43Å; I475-L489 HydrophobicContact CG1-CD2 4.31Å; I475-L489 HydrophobicContact CG2-CB 4.04Å; I475-L489 HydrophobicContact CG2-CD2 4.35Å; I475-L489 WeakPolarHBondContact CG2-O 3.36Å; I475-K492 HydrophobicContact CD1-CB 4.05Å; I475-L493 HydrophobicContact CB-CD1 4.45Å; I475-L493 HydrophobicContact CG2-CB 3.87Å; I475-L493 HydrophobicContact CG2-CD1 4.28Å; I475-L493 HydrophobicContact CG2-CD2 4.43Å; I475-L493 HydrophobicContact CG2-CG 4.42Å; I475-L496 HydrophobicContact CD1-CD1 3.55Å |
| 476 | Y | 89.5 | Confident | 88.3 | Confident | 80 Ų | 80 | 17.3 Ų | 17.3 | 31% | 0.314 | 9% | 0.085 | S | C | . | . | I | π-helix | trans | -74.8 | -51.3 | -171.5 | -169.8 | -109.2 | 0 | 0 | 0 | 112.9 | V472 Y473 E481 L493 | V472-Y476 VanDerWaalsContact O-CB 3.29Å; V472-Y476 WeakPolarHBondContact O-CB 3.39Å; V472-Y476 PolarHBondContact O-N 3.28Å; Y473-Y476 PolarHBondContact O-N 3.06Å; Y476-E481 PolarHBondContact O-N 2.98Å; Y476-L493 HydrophobicContact CD2-CD2 4.02Å |
| 477 | V | 87 | Confident | 88.3 | Confident | 25 Ų | 25 | 20.1 Ų | 20.1 | 15% | 0.152 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -88.3 | -44.7 | -173.5 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | L419 Y473 E481 | L419-V477 HydrophobicContact CD2-CG1 4.28Å; Y473-V477 HydrophobicContact CD2-CB 3.96Å; Y473-V477 HydrophobicContact CD2-CG2 3.6Å; Y473-V477 HydrophobicContact CE2-CB 3.7Å; Y473-V477 HydrophobicContact CE2-CG1 3.87Å; Y473-V477 HydrophobicContact CE2-CG2 3.62Å; Y473-V477 WeakPolarHBondContact O-CB 3.47Å; Y473-V477 PolarHBondContact O-N 3.19Å; V477-E481 WeakPolarHBondContact O-CB 3.43Å |
| 478 | I | 87.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -81 | -45.6 | -175.4 | -53.1 | -178.9 | 0 | 0 | 0 | 110.8 | Y408 F409 L419 Y473 W474 H482 V1000 L1001 | Y408-I478 HydrophobicContact CE1-CG2 3.58Å; Y408-I478 PolarHBondContact OH-O 3.42Å; F409-I478 HydrophobicContact CE1-CG2 4.23Å; F409-I478 HydrophobicContact CZ-CG2 4.24Å; L419-I478 HydrophobicContact CD1-CB 4.37Å; L419-I478 HydrophobicContact CD1-CG1 4.23Å; L419-I478 HydrophobicContact CD1-CG2 4.41Å; Y473-I478 HydrophobicContact CE1-CD1 4.25Å; W474-I478 HydrophobicContact CB-CD1 4.38Å; W474-I478 VanDerWaalsContact CD1-CD1 3.46Å; W474-I478 HydrophobicContact CG-CD1 4Å; W474-I478 WeakPolarHBondContact O-CA 3.23Å; W474-I478 VanDerWaalsContact O-CB 3.26Å; W474-I478 WeakPolarHBondContact O-CB 3.33Å; W474-I478 PolarHBondContact O-N 3.21Å; I478-H482 PolarHBondContact O-ND1 3.43Å; I478-V1000 HydrophobicContact CG1-CG1 4.47Å; I478-L1001 HydrophobicContact CD1-CD2 3.81Å |
| 479 | G | 88.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -80.5 | -75.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W474 I475 E481 H482 T483 | W474-G479 PolarHBondContact O-N 3.25Å; I475-G479 WeakPolarHBondContact O-CA 3.23Å; I475-G479 PolarHBondContact O-N 3.3Å; G479-E481 PolarHBondContact O-N 2.75Å; G479-E481 VanDerWaalsContact O-N 3.17Å; G479-H482 PolarHBondContact O-N 2.89Å; G479-H482 VanDerWaalsContact O-N 3.07Å; G479-T483 PolarHBondContact O-N 3.28Å; G479-T483 VanDerWaalsContact O-N 3.08Å; G479-T483 PolarHBondContact O-OG1 3.24Å |
| 480 | L | 88.2 | Confident | 88.4 | Confident | 8 Ų | 8 | 22.2 Ų | 22.2 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.8 | -166.9 | -68.9 | 175.8 | 0 | 0 | 0 | 114.6 | I475 H482 N484 N486 L489 R490 L493 | I475-L480 HydrophobicContact CG2-CD1 3.97Å; I475-L480 HydrophobicContact CG2-CG 4.19Å; I475-L480 WeakPolarHBondContact O-CG 3.17Å; I475-L480 PolarHBondContact O-N 3.43Å; L480-H482 VanDerWaalsContact C-N 3.25Å; L480-H482 PolarHBondContact O-N 3.49Å; L480-N484 WeakPolarHBondContact O-CA 3.45Å; L480-N484 PolarHBondContact O-N 3.16Å; L480-N486 HydrophobicContact CD2-CB 4.49Å; L480-L489 HydrophobicContact CD2-CB 3.76Å; L480-L489 HydrophobicContact CD2-CD1 4.4Å; L480-L489 HydrophobicContact CG-CB 4.19Å; L480-R490 HydrophobicContact CD1-CG 4.04Å; L480-R490 HydrophobicContact CD2-CG 3.68Å; L480-L493 HydrophobicContact CD1-CD2 3.74Å |
| 481 | E | 82.7 | Confident | 88.4 | Confident | 72 Ų | 72 | 22.7 Ų | 22.7 | 34% | 0.336 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.5 | 173.1 | -165.2 | 172 | 163.8 | 0 | 0 | 112 | L419 K422 Y476 V477 G479 | L419-E481 HydrophobicContact CD2-CG 4.48Å; L419-E481 WeakPolarHBondContact CD2-OE2 3.37Å; K422-E481 WeakPolarHBondContact CD-OE1 3.47Å; K422-E481 WeakPolarHBondContact CE-OE1 3.35Å; K422-E481 IonicContact NZ-OE1 3.77Å; K422-E481 PolarHBondContact NZ-OE1 3.19Å; Y476-E481 PolarHBondContact O-N 2.98Å; V477-E481 WeakPolarHBondContact O-CB 3.43Å; G479-E481 PolarHBondContact O-N 2.75Å; G479-E481 VanDerWaalsContact O-N 3.17Å |
| 482 | H | 80.6 | Confident | 88.3 | Confident | 14 Ų | 14 | 23.2 Ų | 23.2 | 7% | 0.065 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -41 | 177.7 | -61.3 | 90.8 | 0 | 0 | 0 | 112.6 | I478 G479 L480 | I478-H482 PolarHBondContact O-ND1 3.43Å; G479-H482 PolarHBondContact O-N 2.89Å; G479-H482 VanDerWaalsContact O-N 3.07Å; L480-H482 VanDerWaalsContact C-N 3.25Å; L480-H482 PolarHBondContact O-N 3.49Å |
| 483 | T | 82.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | trans | -115.1 | 68.1 | 180 | 51 | 0 | 0 | 0 | 0 | 110.6 | L435 D441 G479 L485 N486 | L435-T483 HydrophobicContact CB-CG2 4.25Å; D441-T483 VanDerWaalsContact OD2-CB 3.31Å; D441-T483 WeakPolarHBondContact OD2-CB 3.35Å; D441-T483 VanDerWaalsContact OD2-CG2 3.28Å; D441-T483 WeakPolarHBondContact OD2-CG2 3.39Å; D441-T483 PolarHBondContact OD2-OG1 3.24Å; G479-T483 PolarHBondContact O-N 3.28Å; G479-T483 VanDerWaalsContact O-N 3.08Å; G479-T483 PolarHBondContact O-OG1 3.24Å; T483-L485 PolarHBondContact O-N 3.19Å; T483-L485 VanDerWaalsContact O-N 3.1Å; T483-N486 WeakPolarHBondContact O-CB 3.34Å; T483-N486 PolarHBondContact O-N 3.42Å | ||
| 484 | N | 81.6 | Confident | 88.2 | Confident | 65 Ų | 65 | 22.8 Ų | 22.8 | 35% | 0.348 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.1 | -176.4 | 61.5 | -7.5 | 0 | 0 | 0 | 114.1 | P434 L480 R490 | P434-N484 WeakPolarHBondContact CB-OD1 3.44Å; L480-N484 WeakPolarHBondContact O-CA 3.45Å; L480-N484 PolarHBondContact O-N 3.16Å; N484-R490 PolarHBondContact O-NE 3.11Å; N484-R490 PolarHBondContact O-NH2 3.26Å |
| 485 | L | 82.2 | Confident | 88.1 | Confident | 85 Ų | 85 | 23.5 Ų | 23.5 | 45% | 0.445 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.3 | 179.6 | -64.8 | 173.4 | 0 | 0 | 0 | 113.4 | P434 D436 T483 H487 | P434-L485 HydrophobicContact CB-CD1 4.49Å; D436-L485 CarbonylContact O-C 3.52Å; D436-L485 WeakPolarHBondContact OD1-CD1 3.48Å; T483-L485 PolarHBondContact O-N 3.19Å; T483-L485 VanDerWaalsContact O-N 3.1Å; L485-H487 PolarHBondContact O-N 3.3Å |
| 486 | N | 88 | Confident | 88 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | trans | -69.8 | 102.4 | -179.6 | -173.5 | -35.2 | 0 | 0 | 0 | 111.9 | D436 D441 L480 T483 H488 L489 R490 | D436-N486 WeakPolarHBondContact O-CA 3.45Å; D436-N486 PolarHBondContact O-N 3.12Å; D441-N486 WeakPolarHBondContact CB-ND2 3.5Å; D441-N486 PolarHBondContact OD2-ND2 3.17Å; L480-N486 HydrophobicContact CD2-CB 4.49Å; T483-N486 WeakPolarHBondContact O-CB 3.34Å; T483-N486 PolarHBondContact O-N 3.42Å; N486-H488 PolarHBondContact O-N 3.43Å; N486-H488 WeakPolarHBondContact OD1-CB 3.48Å; N486-H488 PolarHBondContact OD1-N 2.81Å; N486-L489 HydrophobicContact CB-CB 4.34Å; N486-L489 HydrophobicContact CB-CD1 4.12Å; N486-L489 HydrophobicContact CB-CG 4.43Å; N486-L489 PolarHBondContact OD1-N 3.43Å; N486-L489 VanDerWaalsContact OD1-N 3.08Å; N486-R490 WeakPolarHBondContact O-CG 3.27Å; N486-R490 PolarHBondContact O-N 3.24Å; N486-R490 VanDerWaalsContact O-N 3.17Å | ||
| 487 | H | 88.5 | Confident | 88.2 | Confident | 59 Ų | 59 | 20 Ų | 20 | 27% | 0.273 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -68.9 | -29.8 | -178.5 | 67.4 | -79.5 | 0 | 0 | 0 | 113.7 | L485 R490 I491 L515 | L485-H487 PolarHBondContact O-N 3.3Å; H487-R490 PolarHBondContact O-N 3.39Å; H487-I491 WeakPolarHBondContact O-CB 3.41Å; H487-I491 VanDerWaalsContact O-CG1 3.27Å; H487-I491 WeakPolarHBondContact O-CG1 2.92Å; H487-I491 PolarHBondContact O-N 3.28Å; H487-L515 HydrophobicContact CB-CD2 3.7Å |
| 488 | H | 88.9 | Confident | 88.4 | Confident | 37 Ų | 37 | 19 Ų | 19 | 17% | 0.171 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63 | -49.3 | 176.7 | -61.1 | -44.3 | 0 | 0 | 0 | 110.9 | L445 N486 R490 I491 K492 T657 P658 | L445-H488 HydrophobicContact CD1-CB 3.9Å; N486-H488 PolarHBondContact O-N 3.43Å; N486-H488 WeakPolarHBondContact OD1-CB 3.48Å; N486-H488 PolarHBondContact OD1-N 2.81Å; H488-R490 PolarHBondContact O-N 3.24Å; H488-I491 PolarHBondContact O-N 2.85Å; H488-K492 WeakPolarHBondContact O-CG 3.35Å; H488-K492 PolarHBondContact O-N 2.77Å; H488-K492 VanDerWaalsContact O-N 3.11Å; H488-T657 HydrophobicContact CB-CG2 4.49Å; H488-P658 WeakPolarHBondContact CE1-CD 3.47Å |
| 489 | L | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.5 | -72.9 | 176.2 | 0 | 0 | 0 | 111.5 | D441 L444 L445 L448 I475 L480 N486 I491 K492 L493 | D441-L489 HydrophobicContact CB-CD1 4.48Å; L444-L489 HydrophobicContact CD2-CD2 4.17Å; L445-L489 HydrophobicContact CD2-CD2 3.68Å; L445-L489 HydrophobicContact CD2-CG 4.44Å; L445-L489 HydrophobicContact CG-CD2 4.12Å; L448-L489 HydrophobicContact CD1-CD2 4.34Å; I475-L489 HydrophobicContact CG1-CD2 4.31Å; I475-L489 HydrophobicContact CG2-CB 4.04Å; I475-L489 HydrophobicContact CG2-CD2 4.35Å; I475-L489 WeakPolarHBondContact CG2-O 3.36Å; L480-L489 HydrophobicContact CD2-CB 3.76Å; L480-L489 HydrophobicContact CD2-CD1 4.4Å; L480-L489 HydrophobicContact CG-CB 4.19Å; N486-L489 HydrophobicContact CB-CB 4.34Å; N486-L489 HydrophobicContact CB-CD1 4.12Å; N486-L489 HydrophobicContact CB-CG 4.43Å; N486-L489 PolarHBondContact OD1-N 3.43Å; N486-L489 VanDerWaalsContact OD1-N 3.08Å; L489-I491 PolarHBondContact O-N 2.99Å; L489-K492 PolarHBondContact O-N 3.47Å; L489-L493 WeakPolarHBondContact O-CB 3.33Å; L489-L493 PolarHBondContact O-N 3.16Å |
| 490 | R | 92 | Very high | 88.1 | Confident | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 178.1 | -71.8 | -177.8 | 174.4 | -62.4 | -18.9 | 113 | L480 N484 N486 H487 H488 L493 C494 L515 | L480-R490 HydrophobicContact CD1-CG 4.04Å; L480-R490 HydrophobicContact CD2-CG 3.68Å; N484-R490 PolarHBondContact O-NE 3.11Å; N484-R490 PolarHBondContact O-NH2 3.26Å; N486-R490 WeakPolarHBondContact O-CG 3.27Å; N486-R490 PolarHBondContact O-N 3.24Å; N486-R490 VanDerWaalsContact O-N 3.17Å; H487-R490 PolarHBondContact O-N 3.39Å; H488-R490 PolarHBondContact O-N 3.24Å; R490-L493 WeakPolarHBondContact O-CB 3.3Å; R490-L493 PolarHBondContact O-N 3.49Å; R490-C494 PolarHBondContact O-N 3.24Å; R490-C494 PolarHBondContact O-SG 3.04Å; R490-L515 HydrophobicContact CB-CD1 4.25Å; R490-L515 HydrophobicContact CB-CD2 3.97Å; R490-L515 HydrophobicContact CB-CG 4.19Å |
| 491 | I | 91.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.051 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 178.8 | -70.2 | 167.2 | 0 | 0 | 0 | 110.5 | H487 H488 L489 L493 C494 N495 L515 L528 V656 T657 | H487-I491 WeakPolarHBondContact O-CB 3.41Å; H487-I491 VanDerWaalsContact O-CG1 3.27Å; H487-I491 WeakPolarHBondContact O-CG1 2.92Å; H487-I491 PolarHBondContact O-N 3.28Å; H488-I491 PolarHBondContact O-N 2.85Å; L489-I491 PolarHBondContact O-N 2.99Å; I491-L493 VanDerWaalsContact C-N 3.3Å; I491-L493 PolarHBondContact O-N 3.21Å; I491-C494 WeakPolarHBondContact O-CB 3.46Å; I491-C494 PolarHBondContact O-N 2.92Å; I491-N495 PolarHBondContact O-N 3.49Å; I491-L515 HydrophobicContact CG1-CD1 4.3Å; I491-L528 HydrophobicContact CG1-CD1 4.23Å; I491-L528 HydrophobicContact CG2-CD2 3.96Å; I491-V656 HydrophobicContact CD1-CG1 3.91Å; I491-T657 HydrophobicContact CB-CG2 3.7Å; I491-T657 HydrophobicContact CD1-CG2 3.58Å; I491-T657 HydrophobicContact CG1-CG2 4.23Å; I491-T657 HydrophobicContact CG2-CG2 3.67Å |
| 492 | K | 90.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 17.8 Ų | 17.8 | 5% | 0.048 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 173.8 | -66.5 | -51.9 | -177.1 | -171.1 | 0 | 112.1 | L445 I475 H488 L489 N495 L496 L767 | L445-K492 HydrophobicContact CD2-CG 4.1Å; I475-K492 HydrophobicContact CD1-CB 4.05Å; H488-K492 WeakPolarHBondContact O-CG 3.35Å; H488-K492 PolarHBondContact O-N 2.77Å; H488-K492 VanDerWaalsContact O-N 3.11Å; L489-K492 PolarHBondContact O-N 3.47Å; K492-N495 WeakPolarHBondContact O-CB 3.26Å; K492-N495 PolarHBondContact O-N 3.29Å; K492-L496 PolarHBondContact O-N 3.39Å; K492-L496 VanDerWaalsContact O-N 3.16Å; K492-L767 HydrophobicContact CB-CD2 3.88Å; K492-L767 HydrophobicContact CD-CB 4.23Å; K492-L767 HydrophobicContact CD-CD2 4.12Å; K492-L767 WeakPolarHBondContact CE-O 3.31Å; K492-L767 HydrophobicContact CG-CD2 4.39Å; K492-L767 PolarHBondContact NZ-O 3.44Å |
| 493 | L | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 173.1 | -172.3 | 61.3 | 0 | 0 | 0 | 112.1 | V472 I475 Y476 L480 L489 R490 I491 N495 L496 Y497 Q511 | V472-L493 HydrophobicContact CB-CD1 4.46Å; V472-L493 HydrophobicContact CG1-CD1 4.04Å; V472-L493 HydrophobicContact CG2-CD1 4.37Å; I475-L493 HydrophobicContact CB-CD1 4.45Å; I475-L493 HydrophobicContact CG2-CB 3.87Å; I475-L493 HydrophobicContact CG2-CD1 4.28Å; I475-L493 HydrophobicContact CG2-CD2 4.43Å; I475-L493 HydrophobicContact CG2-CG 4.42Å; Y476-L493 HydrophobicContact CD2-CD2 4.02Å; L480-L493 HydrophobicContact CD1-CD2 3.74Å; L489-L493 WeakPolarHBondContact O-CB 3.33Å; L489-L493 PolarHBondContact O-N 3.16Å; R490-L493 WeakPolarHBondContact O-CB 3.3Å; R490-L493 PolarHBondContact O-N 3.49Å; I491-L493 VanDerWaalsContact C-N 3.3Å; I491-L493 PolarHBondContact O-N 3.21Å; L493-N495 VanDerWaalsContact C-N 3.28Å; L493-N495 PolarHBondContact O-N 3.04Å; L493-L496 WeakPolarHBondContact O-CB 3.3Å; L493-L496 PolarHBondContact O-N 3.02Å; L493-Y497 HydrophobicContact CD1-CD2 4.28Å; L493-Y497 HydrophobicContact CD1-CE1 4.31Å; L493-Y497 HydrophobicContact CD1-CE2 3.65Å; L493-Y497 HydrophobicContact CD2-CE2 3.85Å; L493-Y497 HydrophobicContact CG-CD2 3.93Å; L493-Y497 HydrophobicContact CG-CE2 3.49Å; L493-Y497 VanDerWaalsContact CG-CE2 3.49Å; L493-Y497 PolarHBondContact O-N 2.83Å; L493-Q511 HydrophobicContact CD2-CG 4.32Å |
| 494 | C | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.2 | -40 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | R490 I491 L496 Y497 S498 I508 L528 | R490-C494 PolarHBondContact O-N 3.24Å; R490-C494 PolarHBondContact O-SG 3.04Å; I491-C494 WeakPolarHBondContact O-CB 3.46Å; I491-C494 PolarHBondContact O-N 2.92Å; C494-L496 PolarHBondContact O-N 3.29Å; C494-Y497 PolarHBondContact O-N 3.14Å; C494-S498 WeakPolarHBondContact O-CB 3.39Å; C494-S498 PolarHBondContact O-N 3.4Å; C494-I508 HydrophobicContact CB-CG1 4.49Å; C494-I508 HydrophobicContact CB-CG2 4.19Å; C494-I508 WeakPolarHBondContact O-CD1 3.35Å; C494-L528 HydrophobicContact CB-CB 4.49Å |
| 495 | N | 90.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 9% | 0.086 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 176.5 | -70.7 | -5.5 | 0 | 0 | 0 | 111.9 | I491 K492 L493 Y497 S498 | I491-N495 PolarHBondContact O-N 3.49Å; K492-N495 WeakPolarHBondContact O-CB 3.26Å; K492-N495 PolarHBondContact O-N 3.29Å; L493-N495 VanDerWaalsContact C-N 3.28Å; L493-N495 PolarHBondContact O-N 3.04Å; N495-Y497 PolarHBondContact O-N 3.45Å; N495-S498 WeakPolarHBondContact O-CB 3.46Å; N495-S498 PolarHBondContact O-N 2.85Å; N495-S498 PolarHBondContact O-OG 2.95Å |
| 496 | L | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.3 | -73.2 | 158.3 | 0 | 0 | 0 | 112.3 | V472 I475 K492 L493 C494 S498 F501 L502 I766 L767 | V472-L496 HydrophobicContact CG2-CB 3.73Å; V472-L496 HydrophobicContact CG2-CD1 3.81Å; V472-L496 HydrophobicContact CG2-CD2 4.32Å; V472-L496 HydrophobicContact CG2-CG 4.17Å; I475-L496 HydrophobicContact CD1-CD1 3.55Å; K492-L496 PolarHBondContact O-N 3.39Å; K492-L496 VanDerWaalsContact O-N 3.16Å; L493-L496 WeakPolarHBondContact O-CB 3.3Å; L493-L496 PolarHBondContact O-N 3.02Å; C494-L496 PolarHBondContact O-N 3.29Å; L496-S498 VanDerWaalsContact C-N 3.31Å; L496-S498 PolarHBondContact O-N 2.98Å; L496-F501 HydrophobicContact CD2-CD1 3.89Å; L496-F501 HydrophobicContact CD2-CE1 3.98Å; L496-L502 VanDerWaalsContact O-CB 3.29Å; L496-L502 WeakPolarHBondContact O-CB 3.46Å; L496-L502 WeakPolarHBondContact O-CG 3.24Å; L496-L502 PolarHBondContact O-N 3.11Å; L496-L502 VanDerWaalsContact O-N 3.13Å; L496-I766 HydrophobicContact CD2-CG2 3.53Å; L496-I766 HydrophobicContact CG-CG2 4.11Å; L496-L767 HydrophobicContact CD1-CD2 4.11Å; L496-L767 HydrophobicContact CD2-CD2 4.46Å; L496-L767 HydrophobicContact CG-CD2 3.96Å |
| 497 | Y | 93.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 12 Ų | 12 | 2% | 0.024 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -77.1 | -13.3 | 177.3 | -66.9 | -31.8 | 0 | 0 | 0 | 114.5 | V472 L493 C494 N495 L502 C504 L507 I1011 | V472-Y497 HydrophobicContact CG1-CE1 3.79Å; V472-Y497 WeakPolarHBondContact CG1-OH 3.45Å; V472-Y497 HydrophobicContact CG2-CE1 4.14Å; L493-Y497 HydrophobicContact CD1-CD2 4.28Å; L493-Y497 HydrophobicContact CD1-CE1 4.31Å; L493-Y497 HydrophobicContact CD1-CE2 3.65Å; L493-Y497 HydrophobicContact CD2-CE2 3.85Å; L493-Y497 HydrophobicContact CG-CD2 3.93Å; L493-Y497 HydrophobicContact CG-CE2 3.49Å; L493-Y497 VanDerWaalsContact CG-CE2 3.49Å; L493-Y497 PolarHBondContact O-N 2.83Å; C494-Y497 PolarHBondContact O-N 3.14Å; N495-Y497 PolarHBondContact O-N 3.45Å; Y497-L502 HydrophobicContact CD1-CD1 3.93Å; Y497-L502 HydrophobicContact CE1-CD1 4.23Å; Y497-C504 CarbonylContact O-C 3.51Å; Y497-C504 WeakPolarHBondContact O-CA 3.46Å; Y497-C504 PolarHBondContact O-N 3.09Å; Y497-L507 HydrophobicContact CD1-CB 4.17Å; Y497-L507 HydrophobicContact CD1-CD1 3.84Å; Y497-L507 HydrophobicContact CD2-CB 3.55Å; Y497-L507 HydrophobicContact CE1-CB 4.34Å; Y497-L507 HydrophobicContact CE1-CD1 3.63Å; Y497-L507 HydrophobicContact CE2-CB 3.71Å; Y497-L507 HydrophobicContact CE2-CD1 4.37Å; Y497-L507 HydrophobicContact CG-CB 3.8Å; Y497-L507 HydrophobicContact CG-CD1 4.35Å; Y497-I1011 HydrophobicContact CE1-CD1 4.3Å; Y497-I1011 HydrophobicContact CE1-CG1 4.37Å |
| 498 | S | 90.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -65.7 | 164.5 | -175.5 | 77.6 | 0 | 0 | 0 | 0 | 112.9 | C494 N495 L496 D500 F501 N503 K531 | C494-S498 WeakPolarHBondContact O-CB 3.39Å; C494-S498 PolarHBondContact O-N 3.4Å; N495-S498 WeakPolarHBondContact O-CB 3.46Å; N495-S498 PolarHBondContact O-N 2.85Å; N495-S498 PolarHBondContact O-OG 2.95Å; L496-S498 VanDerWaalsContact C-N 3.31Å; L496-S498 PolarHBondContact O-N 2.98Å; S498-D500 PolarHBondContact O-N 2.92Å; S498-F501 PolarHBondContact O-N 3.05Å; S498-N503 WeakPolarHBondContact O-CA 3.39Å; S498-N503 PolarHBondContact O-N 3.35Å; S498-K531 PolarHBondContact OG-NZ 3.42Å |
| 499 | S | 85.6 | Confident | 91 | Very high | 6 Ų | 6 | 8 Ų | 8 | 4% | 0.042 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -14.6 | 178.4 | -49.2 | 0 | 0 | 0 | 0 | 114.8 | N503 S533 | S499-N503 WeakPolarHBondContact CA-OD1 3.27Å; S499-S533 WeakPolarHBondContact CB-OG 3.48Å; S499-S533 PolarHBondContact OG-OG 2.95Å |
| 500 | D | 85 | Confident | 91 | Very high | 45 Ų | 45 | 10.9 Ų | 10.9 | 24% | 0.241 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -17.9 | -176.1 | -63 | -15.1 | 0 | 0 | 0 | 113.1 | S498 K531 M760 V761 | S498-D500 PolarHBondContact O-N 2.92Å; D500-K531 WeakPolarHBondContact OD2-CD 3.41Å; D500-K531 WeakPolarHBondContact OD2-CE 3.36Å; D500-K531 IonicContact OD2-NZ 3.56Å; D500-K531 PolarHBondContact OD2-NZ 2.81Å; D500-M760 WeakPolarHBondContact O-CA 3.18Å; D500-V761 HydrophobicContact CB-CB 4.25Å; D500-V761 HydrophobicContact CB-CG2 3.69Å; D500-V761 PolarHBondContact O-N 3.06Å |
| 501 | F | 89.8 | Confident | 90.9 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.018 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -89.3 | 179.9 | -175.6 | -119.3 | 0 | 0 | 0 | 111.8 | L465 L496 S498 N503 I766 H872 | L465-F501 HydrophobicContact CD1-CZ 4.35Å; L496-F501 HydrophobicContact CD2-CD1 3.89Å; L496-F501 HydrophobicContact CD2-CE1 3.98Å; S498-F501 PolarHBondContact O-N 3.05Å; F501-N503 VanDerWaalsContact C-N 3.28Å; F501-N503 PolarHBondContact O-N 3.35Å; F501-I766 HydrophobicContact CB-CG1 4.44Å; F501-I766 HydrophobicContact CB-CG2 4.36Å; F501-I766 HydrophobicContact CD1-CD1 4.04Å; F501-I766 HydrophobicContact CD1-CG2 4.24Å; F501-I766 HydrophobicContact CD2-CD1 3.45Å; F501-I766 VanDerWaalsContact CD2-CD1 3.45Å; F501-I766 HydrophobicContact CD2-CG1 4.02Å; F501-I766 HydrophobicContact CE1-CD1 4.08Å; F501-I766 HydrophobicContact CE2-CD1 3.48Å; F501-I766 VanDerWaalsContact CE2-CD1 3.48Å; F501-I766 HydrophobicContact CG-CD1 3.77Å; F501-I766 HydrophobicContact CG-CG1 4.11Å; F501-I766 HydrophobicContact CG-CG2 4.27Å; F501-I766 HydrophobicContact CZ-CD1 3.81Å; F501-H872 AromaticContact CE2-NE2 3.93Å; F501-H872 PolarHBondContact O-CE1 3.31Å |
| 502 | L | 91.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.2 | -178.7 | -67.5 | 174.9 | 0 | 0 | 0 | 113 | L465 L469 V472 L496 Y497 C504 I1011 Y1015 | L465-L502 HydrophobicContact CD1-CD2 3.99Å; L469-L502 HydrophobicContact CD2-CD2 4.09Å; V472-L502 HydrophobicContact CG2-CD1 3.79Å; L496-L502 VanDerWaalsContact O-CB 3.29Å; L496-L502 WeakPolarHBondContact O-CB 3.46Å; L496-L502 WeakPolarHBondContact O-CG 3.24Å; L496-L502 PolarHBondContact O-N 3.11Å; L496-L502 VanDerWaalsContact O-N 3.13Å; Y497-L502 HydrophobicContact CD1-CD1 3.93Å; Y497-L502 HydrophobicContact CE1-CD1 4.23Å; L502-C504 VanDerWaalsContact C-N 3.33Å; L502-C504 PolarHBondContact O-N 3.41Å; L502-I1011 HydrophobicContact CD1-CD1 4.22Å; L502-Y1015 WeakPolarHBondContact O-CE1 3.42Å; L502-Y1015 PolarHBondContact O-OH 3.22Å |
| 503 | N | 92.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.011 | 9% | 0.085 | C | C | . | . | trans | 59.3 | 44 | -177.2 | -160.8 | 17.5 | 0 | 0 | 0 | 112.6 | S498 S499 F501 P505 M538 G874 | S498-N503 WeakPolarHBondContact O-CA 3.39Å; S498-N503 PolarHBondContact O-N 3.35Å; S499-N503 WeakPolarHBondContact CA-OD1 3.27Å; F501-N503 VanDerWaalsContact C-N 3.28Å; F501-N503 PolarHBondContact O-N 3.35Å; N503-P505 WeakPolarHBondContact O-CD 3.12Å; N503-M538 WeakPolarHBondContact O-CE 3.35Å; N503-M538 WeakPolarHBondContact OD1-CE 3.31Å; N503-G874 PolarHBondContact ND2-O 3.11Å; N503-G874 VanDerWaalsContact ND2-O 3.09Å | ||
| 504 | C | 92.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | trans | -119.7 | 59.3 | 177.5 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | Y497 L502 E506 L507 V1014 | Y497-C504 CarbonylContact O-C 3.51Å; Y497-C504 WeakPolarHBondContact O-CA 3.46Å; Y497-C504 PolarHBondContact O-N 3.09Å; L502-C504 VanDerWaalsContact C-N 3.33Å; L502-C504 PolarHBondContact O-N 3.41Å; C504-E506 PolarHBondContact O-N 3.42Å; C504-L507 HydrophobicContact CB-CD1 3.94Å; C504-L507 HydrophobicContact CB-CG 4.27Å; C504-L507 PolarHBondContact O-N 3.4Å; C504-V1014 HydrophobicContact CB-CG1 4.03Å | ||
| 505 | P | 90.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -63.9 | -17.1 | -173.3 | 27.5 | -36 | 0 | 0 | 0 | 114.1 | N503 L507 I508 M538 I555 | N503-P505 WeakPolarHBondContact O-CD 3.12Å; P505-L507 VanDerWaalsContact C-N 3.27Å; P505-L507 PolarHBondContact O-N 2.93Å; P505-I508 HydrophobicContact CB-CD1 4.4Å; P505-I508 VanDerWaalsContact O-CB 3.31Å; P505-I508 WeakPolarHBondContact O-CB 3.48Å; P505-I508 PolarHBondContact O-N 2.87Å; P505-M538 HydrophobicContact CG-CE 3.54Å; P505-I555 HydrophobicContact CB-CD1 3.69Å; P505-I555 HydrophobicContact CG-CD1 3.59Å |
| 506 | E | 90.7 | Very high | 90.1 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 12% | 0.121 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -64.1 | -32.7 | 173.5 | -64.5 | -168 | 130.2 | 0 | 0 | 112.4 | C504 I508 L509 P510 C539 I555 V1014 R1021 | C504-E506 PolarHBondContact O-N 3.42Å; E506-I508 PolarHBondContact O-N 3.09Å; E506-L509 PolarHBondContact O-N 3.07Å; E506-P510 WeakPolarHBondContact O-CD 3.36Å; E506-C539 HydrophobicContact CG-CB 4Å; E506-I555 HydrophobicContact CG-CD1 3.98Å; E506-I555 HydrophobicContact CG-CG1 4.24Å; E506-V1014 HydrophobicContact CB-CG1 4.28Å; E506-R1021 IonicContact OE1-CZ 2.72Å; E506-R1021 IonicContact OE1-NH1 3.73Å; E506-R1021 PolarHBondContact OE1-NH1 3.45Å; E506-R1021 IonicContact OE1-NH2 3.74Å; E506-R1021 PolarHBondContact OE1-NH2 3.16Å; E506-R1021 IonicContact OE2-CZ 3.1Å; E506-R1021 IonicContact OE2-NH1 2.89Å; E506-R1021 PolarHBondContact OE2-NH1 3.15Å; E506-R1021 IonicContact OE2-NH2 3.76Å |
| 507 | L | 92.6 | Very high | 89.7 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -71.8 | -13.8 | 177.6 | -63.2 | 178.9 | 0 | 0 | 0 | 112.8 | Y497 C504 P505 Q511 E1010 I1011 V1014 | Y497-L507 HydrophobicContact CD1-CB 4.17Å; Y497-L507 HydrophobicContact CD1-CD1 3.84Å; Y497-L507 HydrophobicContact CD2-CB 3.55Å; Y497-L507 HydrophobicContact CE1-CB 4.34Å; Y497-L507 HydrophobicContact CE1-CD1 3.63Å; Y497-L507 HydrophobicContact CE2-CB 3.71Å; Y497-L507 HydrophobicContact CE2-CD1 4.37Å; Y497-L507 HydrophobicContact CG-CB 3.8Å; Y497-L507 HydrophobicContact CG-CD1 4.35Å; C504-L507 HydrophobicContact CB-CD1 3.94Å; C504-L507 HydrophobicContact CB-CG 4.27Å; C504-L507 PolarHBondContact O-N 3.4Å; P505-L507 VanDerWaalsContact C-N 3.27Å; P505-L507 PolarHBondContact O-N 2.93Å; L507-Q511 WeakPolarHBondContact O-CG 3.47Å; L507-E1010 HydrophobicContact CD2-CB 4.32Å; L507-I1011 HydrophobicContact CD1-CG1 3.88Å; L507-V1014 HydrophobicContact CD2-CG2 3.67Å; L507-V1014 HydrophobicContact CG-CG2 3.93Å |
| 508 | I | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -75.9 | -31.6 | 175.2 | -58.6 | 177.9 | 0 | 0 | 0 | 110.5 | C494 P505 E506 Q511 L512 L528 I529 | C494-I508 HydrophobicContact CB-CG1 4.49Å; C494-I508 HydrophobicContact CB-CG2 4.19Å; C494-I508 WeakPolarHBondContact O-CD1 3.35Å; P505-I508 HydrophobicContact CB-CD1 4.4Å; P505-I508 VanDerWaalsContact O-CB 3.31Å; P505-I508 WeakPolarHBondContact O-CB 3.48Å; P505-I508 PolarHBondContact O-N 2.87Å; E506-I508 PolarHBondContact O-N 3.09Å; I508-Q511 CarbonylContact O-C 3.6Å; I508-Q511 WeakPolarHBondContact O-CA 3.41Å; I508-Q511 WeakPolarHBondContact O-CB 3.29Å; I508-Q511 PolarHBondContact O-N 3.06Å; I508-L512 HydrophobicContact CG2-CD1 3.89Å; I508-L512 HydrophobicContact CG2-CD2 4.07Å; I508-L512 HydrophobicContact CG2-CG 3.75Å; I508-L512 WeakPolarHBondContact O-CG 3.43Å; I508-L512 PolarHBondContact O-N 3.37Å; I508-L528 WeakPolarHBondContact CD1-O 3.5Å; I508-I529 HydrophobicContact CB-CD1 4.32Å; I508-I529 HydrophobicContact CG2-CB 4.23Å; I508-I529 HydrophobicContact CG2-CD1 4.21Å |
| 509 | L | 91.8 | Very high | 88.8 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57 | -50.2 | -174.5 | -59.2 | 174.1 | 0 | 0 | 0 | 113.1 | E506 Q511 L512 D513 I529 S553 I555 L558 | E506-L509 PolarHBondContact O-N 3.07Å; L509-Q511 PolarHBondContact O-N 3.18Å; L509-L512 HydrophobicContact CD2-CD1 4.46Å; L509-L512 PolarHBondContact O-N 3.16Å; L509-L512 VanDerWaalsContact O-N 3.15Å; L509-D513 PolarHBondContact O-N 3.41Å; L509-I529 HydrophobicContact CD2-CD1 3.43Å; L509-I529 VanDerWaalsContact CD2-CD1 3.43Å; L509-I529 HydrophobicContact CG-CD1 4.23Å; L509-S553 WeakPolarHBondContact CD1-O 3.41Å; L509-I555 HydrophobicContact CD1-CG1 3.97Å; L509-I555 HydrophobicContact CG-CG1 4.49Å; L509-L558 HydrophobicContact CD2-CB 4.29Å; L509-L558 HydrophobicContact CD2-CD2 3.62Å; L509-L558 HydrophobicContact CD2-CG 4.47Å |
| 510 | P | 90.1 | Very high | 88.8 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -26.7 | 175.1 | -21.9 | 33.8 | 0 | 0 | 0 | 113.5 | E506 K514 | E506-P510 WeakPolarHBondContact O-CD 3.36Å; P510-K514 VanDerWaalsContact O-CG 3.27Å; P510-K514 WeakPolarHBondContact O-CG 3.42Å; P510-K514 PolarHBondContact O-N 2.86Å |
| 511 | Q | 91 | Very high | 89 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.3 | -38.5 | 177.3 | -44 | -50.3 | -39.7 | 0 | 0 | 111.1 | L493 L507 I508 L509 D513 K514 L515 | L493-Q511 HydrophobicContact CD2-CG 4.32Å; L507-Q511 WeakPolarHBondContact O-CG 3.47Å; I508-Q511 CarbonylContact O-C 3.6Å; I508-Q511 WeakPolarHBondContact O-CA 3.41Å; I508-Q511 WeakPolarHBondContact O-CB 3.29Å; I508-Q511 PolarHBondContact O-N 3.06Å; L509-Q511 PolarHBondContact O-N 3.18Å; Q511-D513 VanDerWaalsContact C-N 3.33Å; Q511-K514 PolarHBondContact O-N 3.17Å; Q511-L515 WeakPolarHBondContact O-CB 3.42Å; Q511-L515 VanDerWaalsContact O-CG 3.3Å; Q511-L515 WeakPolarHBondContact O-CG 3.25Å; Q511-L515 PolarHBondContact O-N 3.47Å |
| 512 | L | 89.3 | Confident | 89 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 175.2 | -62.4 | 174 | 0 | 0 | 0 | 111.8 | I508 L509 K514 L515 E516 I517 I529 L558 | I508-L512 HydrophobicContact CG2-CD1 3.89Å; I508-L512 HydrophobicContact CG2-CD2 4.07Å; I508-L512 HydrophobicContact CG2-CG 3.75Å; I508-L512 WeakPolarHBondContact O-CG 3.43Å; I508-L512 PolarHBondContact O-N 3.37Å; L509-L512 HydrophobicContact CD2-CD1 4.46Å; L509-L512 PolarHBondContact O-N 3.16Å; L509-L512 VanDerWaalsContact O-N 3.15Å; L512-K514 VanDerWaalsContact C-N 3.35Å; L512-L515 CarbonylContact O-C 3.57Å; L512-L515 PolarHBondContact O-N 3.43Å; L512-E516 PolarHBondContact O-N 3.14Å; L512-E516 VanDerWaalsContact O-N 3.14Å; L512-I517 HydrophobicContact CD2-CD1 3.52Å; L512-I517 HydrophobicContact CD2-CG1 4.3Å; L512-I517 PolarHBondContact O-N 3.42Å; L512-I529 HydrophobicContact CD1-CB 4.13Å; L512-I529 HydrophobicContact CD1-CD1 3.72Å; L512-I529 HydrophobicContact CD1-CG2 3.91Å; L512-L558 HydrophobicContact CD1-CD2 4.28Å |
| 513 | D | 88.3 | Confident | 88.9 | Confident | 109 Ų | 109 | 45 Ų | 45 | 58% | 0.583 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.6 | -42.8 | 175.5 | -72.3 | -26.7 | 0 | 0 | 0 | 111 | L509 Q511 L515 E516 | L509-D513 PolarHBondContact O-N 3.41Å; Q511-D513 VanDerWaalsContact C-N 3.33Å; D513-L515 VanDerWaalsContact C-N 3.33Å; D513-L515 PolarHBondContact O-N 2.76Å; D513-E516 PolarHBondContact O-N 3.15Å; D513-E516 VanDerWaalsContact O-N 3.11Å |
| 514 | K | 88.3 | Confident | 88.8 | Confident | 109 Ų | 109 | 46.1 Ų | 46.1 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.6 | -26.8 | 175.4 | -70.3 | 174.7 | -176.6 | 179.2 | 0 | 113.6 | P510 Q511 L512 | P510-K514 VanDerWaalsContact O-CG 3.27Å; P510-K514 WeakPolarHBondContact O-CG 3.42Å; P510-K514 PolarHBondContact O-N 2.86Å; Q511-K514 PolarHBondContact O-N 3.17Å; L512-K514 VanDerWaalsContact C-N 3.35Å |
| 515 | L | 87.7 | Confident | 88.7 | Confident | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.4 | 171.7 | -74.5 | 172.3 | 0 | 0 | 0 | 112.8 | H487 R490 I491 Q511 L512 D513 I517 | H487-L515 HydrophobicContact CB-CD2 3.7Å; R490-L515 HydrophobicContact CB-CD1 4.25Å; R490-L515 HydrophobicContact CB-CD2 3.97Å; R490-L515 HydrophobicContact CB-CG 4.19Å; I491-L515 HydrophobicContact CG1-CD1 4.3Å; Q511-L515 WeakPolarHBondContact O-CB 3.42Å; Q511-L515 VanDerWaalsContact O-CG 3.3Å; Q511-L515 WeakPolarHBondContact O-CG 3.25Å; Q511-L515 PolarHBondContact O-N 3.47Å; L512-L515 CarbonylContact O-C 3.57Å; L512-L515 PolarHBondContact O-N 3.43Å; D513-L515 VanDerWaalsContact C-N 3.33Å; D513-L515 PolarHBondContact O-N 2.76Å; L515-I517 HydrophobicContact CB-CD1 4.33Å; L515-I517 HydrophobicContact CB-CG1 3.79Å; L515-I517 HydrophobicContact CD1-CD1 4.33Å; L515-I517 PolarHBondContact O-N 3.02Å |
| 516 | E | 86.7 | Confident | 88.7 | Confident | 122 Ų | 122 | 47 Ų | 47 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 39.9 | -175.9 | -59.6 | -160.4 | 179.7 | 0 | 0 | 114.4 | L512 D513 K518 | L512-E516 PolarHBondContact O-N 3.14Å; L512-E516 VanDerWaalsContact O-N 3.14Å; D513-E516 PolarHBondContact O-N 3.15Å; D513-E516 VanDerWaalsContact O-N 3.11Å; E516-K518 WeakPolarHBondContact O-CG 3.38Å; E516-K518 PolarHBondContact O-N 2.91Å; E516-K518 IonicContact OE2-NZ 2.68Å; E516-K518 PolarHBondContact OE2-NZ 3.37Å |
| 517 | I | 85.1 | Confident | 88.6 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | trans | -63.6 | 110.2 | 179.9 | -54.9 | -157.5 | 0 | 0 | 0 | 109.7 | L512 L515 L521 F522 L525 | L512-I517 HydrophobicContact CD2-CD1 3.52Å; L512-I517 HydrophobicContact CD2-CG1 4.3Å; L512-I517 PolarHBondContact O-N 3.42Å; L515-I517 HydrophobicContact CB-CD1 4.33Å; L515-I517 HydrophobicContact CB-CG1 3.79Å; L515-I517 HydrophobicContact CD1-CD1 4.33Å; L515-I517 PolarHBondContact O-N 3.02Å; I517-L521 HydrophobicContact CG2-CB 3.71Å; I517-F522 HydrophobicContact CB-CZ 4.34Å; I517-F522 HydrophobicContact CG2-CD1 3.89Å; I517-F522 HydrophobicContact CG2-CD2 4.06Å; I517-F522 HydrophobicContact CG2-CE1 3.85Å; I517-F522 HydrophobicContact CG2-CE2 4.03Å; I517-F522 HydrophobicContact CG2-CG 3.98Å; I517-F522 HydrophobicContact CG2-CZ 3.92Å; I517-F522 WeakPolarHBondContact O-CE2 3.38Å; I517-F522 WeakPolarHBondContact O-CZ 3.41Å; I517-L525 HydrophobicContact CD1-CB 3.95Å; I517-L525 HydrophobicContact CD1-CD1 4.09Å | ||
| 518 | K | 81.3 | Confident | 88.4 | Confident | 127 Ų | 127 | 46.1 Ų | 46.1 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | trans | -125.9 | 142.7 | -176.1 | -71.3 | 163.2 | -174.7 | 161.7 | 0 | 110.7 | E516 L520 L521 | E516-K518 WeakPolarHBondContact O-CG 3.38Å; E516-K518 PolarHBondContact O-N 2.91Å; E516-K518 IonicContact OE2-NZ 2.68Å; E516-K518 PolarHBondContact OE2-NZ 3.37Å; K518-L520 PolarHBondContact O-N 3.08Å; K518-L521 WeakPolarHBondContact O-CB 3.45Å; K518-L521 PolarHBondContact O-N 3.16Å | ||
| 519 | Q | 82.8 | Confident | 88.3 | Confident | 103 Ų | 103 | 46.3 Ų | 46.3 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | -107.8 | 168.1 | -60.1 | 177.4 | -11.8 | 0 | 0 | 113.9 | L521 F522 L565 M569 | Q519-L521 PolarHBondContact O-N 3.36Å; Q519-F522 WeakPolarHBondContact O-CB 3.43Å; Q519-F522 PolarHBondContact O-N 3.37Å; Q519-F522 VanDerWaalsContact O-N 3.14Å; Q519-L565 HydrophobicContact CB-CD1 4.3Å; Q519-L565 HydrophobicContact CG-CD1 3.96Å; Q519-M569 HydrophobicContact CB-SD 4.44Å |
| 520 | L | 85.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -29.4 | -177.9 | -69 | 166.4 | 0 | 0 | 0 | 113.5 | K518 F522 L523 M569 F595 | K518-L520 PolarHBondContact O-N 3.08Å; L520-F522 PolarHBondContact O-N 3.21Å; L520-L523 HydrophobicContact CD2-CD1 3.85Å; L520-L523 VanDerWaalsContact O-CB 3.3Å; L520-L523 WeakPolarHBondContact O-CB 3.44Å; L520-L523 PolarHBondContact O-N 3.41Å; L520-M569 HydrophobicContact CB-CE 4.37Å; L520-M569 HydrophobicContact CD2-CE 3.37Å; L520-M569 HydrophobicContact CG-CE 3.82Å; L520-F595 HydrophobicContact CD2-CE1 4.31Å; L520-F595 HydrophobicContact CD2-CE2 4.38Å; L520-F595 HydrophobicContact CD2-CZ 3.5Å |
| 521 | L | 89.6 | Confident | 88.2 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 40% | 0.398 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66 | -21.3 | 178.7 | -66.3 | 173.9 | 0 | 0 | 0 | 112.5 | I517 K518 Q519 L523 S524 L525 | I517-L521 HydrophobicContact CG2-CB 3.71Å; K518-L521 WeakPolarHBondContact O-CB 3.45Å; K518-L521 PolarHBondContact O-N 3.16Å; Q519-L521 PolarHBondContact O-N 3.36Å; L521-L523 PolarHBondContact O-N 3.07Å; L521-S524 PolarHBondContact O-N 3.23Å; L521-S524 PolarHBondContact O-OG 3.36Å; L521-L525 WeakPolarHBondContact O-CA 3.46Å; L521-L525 WeakPolarHBondContact O-CB 3.2Å; L521-L525 PolarHBondContact O-N 3.07Å |
| 522 | F | 89.4 | Confident | 88.1 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.7 | -20.8 | 171.8 | -78 | -71.3 | 0 | 0 | 0 | 113.1 | I517 Q519 L520 G526 L558 I562 L565 | I517-F522 HydrophobicContact CB-CZ 4.34Å; I517-F522 HydrophobicContact CG2-CD1 3.89Å; I517-F522 HydrophobicContact CG2-CD2 4.06Å; I517-F522 HydrophobicContact CG2-CE1 3.85Å; I517-F522 HydrophobicContact CG2-CE2 4.03Å; I517-F522 HydrophobicContact CG2-CG 3.98Å; I517-F522 HydrophobicContact CG2-CZ 3.92Å; I517-F522 WeakPolarHBondContact O-CE2 3.38Å; I517-F522 WeakPolarHBondContact O-CZ 3.41Å; Q519-F522 WeakPolarHBondContact O-CB 3.43Å; Q519-F522 PolarHBondContact O-N 3.37Å; Q519-F522 VanDerWaalsContact O-N 3.14Å; L520-F522 PolarHBondContact O-N 3.21Å; F522-G526 WeakPolarHBondContact O-CA 3.25Å; F522-G526 PolarHBondContact O-N 2.92Å; F522-G526 VanDerWaalsContact O-N 3.09Å; F522-L558 HydrophobicContact CE1-CD1 4.08Å; F522-L558 HydrophobicContact CZ-CD1 4.09Å; F522-I562 HydrophobicContact CD1-CD1 3.97Å; F522-I562 HydrophobicContact CD1-CG1 4.12Å; F522-I562 HydrophobicContact CE1-CD1 4.13Å; F522-I562 HydrophobicContact CE1-CG1 4.27Å; F522-I562 HydrophobicContact CG-CG1 4.42Å; F522-L565 HydrophobicContact CD2-CD2 3.63Å; F522-L565 HydrophobicContact CE2-CD2 4.29Å; F522-L565 HydrophobicContact CG-CD2 4.38Å |
| 523 | L | 89.7 | Confident | 88.1 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.9 | -46.3 | 174.7 | -66.1 | 164.2 | 0 | 0 | 0 | 110.8 | L520 L521 M569 L599 A602 F605 C651 | L520-L523 HydrophobicContact CD2-CD1 3.85Å; L520-L523 VanDerWaalsContact O-CB 3.3Å; L520-L523 WeakPolarHBondContact O-CB 3.44Å; L520-L523 PolarHBondContact O-N 3.41Å; L521-L523 PolarHBondContact O-N 3.07Å; L523-M569 HydrophobicContact CD1-CE 3.9Å; L523-M569 HydrophobicContact CG-CE 4.48Å; L523-L599 HydrophobicContact CD1-CD2 3.37Å; L523-L599 HydrophobicContact CD2-CD2 4.1Å; L523-L599 HydrophobicContact CG-CD2 4.32Å; L523-A602 HydrophobicContact CD2-CB 3.49Å; L523-A602 VanDerWaalsContact CD2-CB 3.49Å; L523-F605 HydrophobicContact CD2-CD2 4.09Å; L523-F605 HydrophobicContact CD2-CE1 4.19Å; L523-F605 HydrophobicContact CD2-CE2 3.49Å; L523-F605 VanDerWaalsContact CD2-CE2 3.49Å; L523-F605 HydrophobicContact CD2-CZ 3.54Å; L523-F605 HydrophobicContact CG-CE2 4.41Å; L523-F605 HydrophobicContact CG-CZ 4.09Å; L523-C651 HydrophobicContact CB-CB 4.3Å; L523-C651 CarbonylContact O-C 3.16Å; L523-C651 WeakPolarHBondContact O-CB 3.39Å |
| 524 | S | 89.5 | Confident | 88.3 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 19% | 0.189 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -81.3 | -46.1 | -176.7 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | L521 H527 C651 D653 | L521-S524 PolarHBondContact O-N 3.23Å; L521-S524 PolarHBondContact O-OG 3.36Å; S524-H527 PolarHBondContact O-CE1 3.27Å; S524-H527 VanDerWaalsContact O-CE1 3.27Å; S524-H527 PolarHBondContact O-ND1 3.27Å; S524-C651 WeakPolarHBondContact CA-O 3.38Å; S524-D653 PolarHBondContact O-N 3.25Å |
| 525 | L | 90.9 | Very high | 88.4 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -104.4 | 2.7 | -173.5 | -62.5 | 178.4 | 0 | 0 | 0 | 113.9 | I517 L521 H527 L528 V656 | I517-L525 HydrophobicContact CD1-CB 3.95Å; I517-L525 HydrophobicContact CD1-CD1 4.09Å; L521-L525 WeakPolarHBondContact O-CA 3.46Å; L521-L525 WeakPolarHBondContact O-CB 3.2Å; L521-L525 PolarHBondContact O-N 3.07Å; L525-H527 PolarHBondContact O-N 2.94Å; L525-L528 HydrophobicContact CB-CD1 4.19Å; L525-L528 HydrophobicContact CD2-CD1 4.43Å; L525-L528 WeakPolarHBondContact O-CB 3.35Å; L525-L528 WeakPolarHBondContact O-CG 3.42Å; L525-L528 PolarHBondContact O-N 3.08Å; L525-L528 VanDerWaalsContact O-N 3.14Å; L525-V656 HydrophobicContact CD2-CB 4.17Å; L525-V656 HydrophobicContact CD2-CG1 4.34Å; L525-V656 HydrophobicContact CD2-CG2 3.8Å |
| 526 | G | 89.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -60.3 | -26.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F522 L528 I529 V530 | F522-G526 WeakPolarHBondContact O-CA 3.25Å; F522-G526 PolarHBondContact O-N 2.92Å; F522-G526 VanDerWaalsContact O-N 3.09Å; G526-L528 PolarHBondContact O-N 2.85Å; G526-L528 VanDerWaalsContact O-N 3.15Å; G526-I529 PolarHBondContact O-N 3.34Å; G526-I529 VanDerWaalsContact O-N 3.16Å; G526-V530 PolarHBondContact O-N 3.46Å |
| 527 | H | 89.3 | Confident | 88.5 | Confident | 21 Ų | 21 | 27.3 Ų | 27.3 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -63 | -15.7 | 176.9 | 71.8 | -90.5 | 0 | 0 | 0 | 114.3 | S524 L525 I529 K531 R652 D653 F654 | S524-H527 PolarHBondContact O-CE1 3.27Å; S524-H527 VanDerWaalsContact O-CE1 3.27Å; S524-H527 PolarHBondContact O-ND1 3.27Å; L525-H527 PolarHBondContact O-N 2.94Å; H527-I529 PolarHBondContact O-N 3.45Å; H527-K531 WeakPolarHBondContact O-CE 3.18Å; H527-K531 VanDerWaalsContact O-CG 3.29Å; H527-K531 WeakPolarHBondContact O-CG 3.48Å; H527-R652 HydrophobicContact CB-CB 4.34Å; H527-R652 HydrophobicContact CB-CG 3.8Å; H527-D653 PolarHBondContact CE1-O 3.11Å; H527-F654 AromaticContact CD2-CE1 3.62Å; H527-F654 AromaticContact NE2-CD1 3.75Å; H527-F654 AromaticContact NE2-CE1 3.64Å |
| 528 | L | 88.8 | Confident | 88.6 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -65.1 | -26.8 | 174.8 | -64 | 177 | 0 | 0 | 0 | 112.3 | I491 C494 I508 L525 G526 | I491-L528 HydrophobicContact CG1-CD1 4.23Å; I491-L528 HydrophobicContact CG2-CD2 3.96Å; C494-L528 HydrophobicContact CB-CB 4.49Å; I508-L528 WeakPolarHBondContact CD1-O 3.5Å; L525-L528 HydrophobicContact CB-CD1 4.19Å; L525-L528 HydrophobicContact CD2-CD1 4.43Å; L525-L528 WeakPolarHBondContact O-CB 3.35Å; L525-L528 WeakPolarHBondContact O-CG 3.42Å; L525-L528 PolarHBondContact O-N 3.08Å; L525-L528 VanDerWaalsContact O-N 3.14Å; G526-L528 PolarHBondContact O-N 2.85Å; G526-L528 VanDerWaalsContact O-N 3.15Å |
| 529 | I | 89.8 | Confident | 88.8 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -36.8 | -178.2 | -171.3 | 158.7 | 0 | 0 | 0 | 113.5 | I508 L509 L512 G526 H527 K531 L558 | I508-I529 HydrophobicContact CB-CD1 4.32Å; I508-I529 HydrophobicContact CG2-CB 4.23Å; I508-I529 HydrophobicContact CG2-CD1 4.21Å; L509-I529 HydrophobicContact CD2-CD1 3.43Å; L509-I529 VanDerWaalsContact CD2-CD1 3.43Å; L509-I529 HydrophobicContact CG-CD1 4.23Å; L512-I529 HydrophobicContact CD1-CB 4.13Å; L512-I529 HydrophobicContact CD1-CD1 3.72Å; L512-I529 HydrophobicContact CD1-CG2 3.91Å; G526-I529 PolarHBondContact O-N 3.34Å; G526-I529 VanDerWaalsContact O-N 3.16Å; H527-I529 PolarHBondContact O-N 3.45Å; I529-K531 PolarHBondContact O-N 2.93Å; I529-L558 HydrophobicContact CD1-CD2 3.5Å; I529-L558 VanDerWaalsContact CD1-CD2 3.5Å; I529-L558 HydrophobicContact CG1-CD2 4.24Å; I529-L558 HydrophobicContact CG2-CD2 4.02Å |
| 530 | V | 90.8 | Very high | 88.8 | Confident | 10 Ų | 10 | 16.6 Ų | 16.6 | 6% | 0.061 | 9% | 0.09 | C | C | . | . | trans | -88.6 | 91.3 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | G526 Y559 I562 V604 T607 V608 | G526-V530 PolarHBondContact O-N 3.46Å; V530-Y559 HydrophobicContact CG2-CE2 4.27Å; V530-I562 HydrophobicContact CG2-CD1 4.2Å; V530-V604 HydrophobicContact CB-CG1 4.24Å; V530-V604 HydrophobicContact CG1-CG1 4.47Å; V530-V604 HydrophobicContact CG2-CG1 4.09Å; V530-T607 HydrophobicContact CG1-CG2 3.49Å; V530-T607 VanDerWaalsContact CG1-CG2 3.49Å; V530-V608 HydrophobicContact CB-CG2 4.43Å; V530-V608 HydrophobicContact CG1-CG2 3.84Å; V530-V608 HydrophobicContact CG2-CG2 3.68Å | ||
| 531 | K | 88.5 | Confident | 88.3 | Confident | 24 Ų | 24 | 13.4 Ų | 13.4 | 10% | 0.104 | 8% | 0.076 | C | C | . | . | trans | -115.2 | 158.3 | 176.8 | -69.8 | -167.1 | 177.3 | -172.5 | 0 | 110.8 | S498 D500 H527 I529 S533 | S498-K531 PolarHBondContact OG-NZ 3.42Å; D500-K531 WeakPolarHBondContact OD2-CD 3.41Å; D500-K531 WeakPolarHBondContact OD2-CE 3.36Å; D500-K531 IonicContact OD2-NZ 3.56Å; D500-K531 PolarHBondContact OD2-NZ 2.81Å; H527-K531 WeakPolarHBondContact O-CE 3.18Å; H527-K531 VanDerWaalsContact O-CG 3.29Å; H527-K531 WeakPolarHBondContact O-CG 3.48Å; I529-K531 PolarHBondContact O-N 2.93Å; K531-S533 PolarHBondContact O-N 2.98Å; K531-S533 PolarHBondContact O-OG 3.34Å | ||
| 532 | P | 89.5 | Confident | 87.6 | Confident | 22 Ų | 22 | 11.1 Ų | 11.1 | 14% | 0.143 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -67.7 | 72.4 | 176.2 | 28.2 | -34.3 | 0 | 0 | 0 | 111.9 | H675 L676 W679 C778 | P532-H675 WeakPolarHBondContact CG-CD2 3.33Å; P532-H675 WeakPolarHBondContact CG-NE2 3.42Å; P532-L676 HydrophobicContact CB-CD1 3.97Å; P532-L676 HydrophobicContact CG-CD1 4.35Å; P532-W679 HydrophobicContact CB-CB 3.59Å; P532-W679 HydrophobicContact CB-CD2 4.08Å; P532-W679 HydrophobicContact CB-CG 3.48Å; P532-W679 VanDerWaalsContact CB-CG 3.48Å; P532-C778 VanDerWaalsContact O-CB 3.25Å; P532-C778 WeakPolarHBondContact O-CB 3.46Å |
| 533 | S | 89.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 13.6 Ų | 13.6 | 3% | 0.028 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -149.5 | 151.2 | -174.9 | 66 | 0 | 0 | 0 | 0 | 110 | S499 K531 S535 | S499-S533 WeakPolarHBondContact CB-OG 3.48Å; S499-S533 PolarHBondContact OG-OG 2.95Å; K531-S533 PolarHBondContact O-N 2.98Å; K531-S533 PolarHBondContact O-OG 3.34Å; S533-S535 PolarHBondContact O-N 3.38Å |
| 534 | P | 92.2 | Very high | 84.6 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | trans | -76.7 | 48.3 | -178.8 | 35.6 | -39.9 | 0 | 0 | 0 | 113.1 | L536 A537 M538 Y782 L878 T881 E885 | P534-L536 VanDerWaalsContact C-N 3.3Å; P534-L536 PolarHBondContact O-N 2.74Å; P534-A537 HydrophobicContact CB-CB 4.44Å; P534-A537 PolarHBondContact O-N 2.66Å; P534-M538 PolarHBondContact O-N 2.81Å; P534-Y782 VanDerWaalsContact CB-OH 3.24Å; P534-Y782 WeakPolarHBondContact CB-OH 3.38Å; P534-Y782 HydrophobicContact CG-CE2 4.36Å; P534-Y782 VanDerWaalsContact CG-OH 3.31Å; P534-Y782 WeakPolarHBondContact CG-OH 3.37Å; P534-L878 HydrophobicContact CG-CD1 3.72Å; P534-T881 HydrophobicContact CB-CG2 3.74Å; P534-T881 HydrophobicContact CG-CG2 3.61Å; P534-E885 VanDerWaalsContact CB-OE1 3.31Å; P534-E885 WeakPolarHBondContact CB-OE1 3.17Å | ||
| 535 | S | 89.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -35.3 | -173.8 | 60.1 | 0 | 0 | 0 | 0 | 113.4 | S533 M538 C539 Y559 | S533-S535 PolarHBondContact O-N 3.38Å; S535-M538 PolarHBondContact O-N 3.15Å; S535-C539 WeakPolarHBondContact O-CB 3.33Å; S535-C539 PolarHBondContact O-N 3.14Å; S535-Y559 PolarHBondContact OG-OH 3.48Å; S535-Y559 VanDerWaalsContact OG-OH 3.04Å |
| 536 | L | 90.4 | Very high | 80.1 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.6 | -46.1 | 175.8 | -71.5 | 177.6 | 0 | 0 | 0 | 111.7 | P534 M538 C539 T540 I555 Y559 E611 M612 W615 | P534-L536 VanDerWaalsContact C-N 3.3Å; P534-L536 PolarHBondContact O-N 2.74Å; L536-M538 PolarHBondContact O-N 3.31Å; L536-C539 PolarHBondContact O-N 3.34Å; L536-T540 HydrophobicContact CD2-CG2 3.93Å; L536-T540 VanDerWaalsContact O-CB 3.31Å; L536-T540 WeakPolarHBondContact O-CB 3.49Å; L536-T540 WeakPolarHBondContact O-CG2 3.44Å; L536-T540 PolarHBondContact O-N 3.42Å; L536-T540 PolarHBondContact O-OG1 2.89Å; L536-I555 HydrophobicContact CD2-CG2 4.07Å; L536-Y559 HydrophobicContact CD1-CD1 3.74Å; L536-Y559 HydrophobicContact CD1-CE1 4.05Å; L536-Y559 HydrophobicContact CD1-CG 4.46Å; L536-Y559 HydrophobicContact CD2-CD1 4.05Å; L536-Y559 HydrophobicContact CD2-CD2 4.36Å; L536-Y559 HydrophobicContact CD2-CE1 4.41Å; L536-Y559 HydrophobicContact CD2-CG 4.02Å; L536-Y559 HydrophobicContact CG-CD1 4Å; L536-Y559 HydrophobicContact CG-CE1 4.04Å; L536-Y559 HydrophobicContact CG-CG 4.48Å; L536-E611 HydrophobicContact CD1-CB 4.03Å; L536-M612 HydrophobicContact CD1-CG 4.27Å; L536-W615 HydrophobicContact CB-CB 4.12Å; L536-W615 HydrophobicContact CB-CG 4.03Å; L536-W615 HydrophobicContact CD1-CB 3.89Å; L536-W615 HydrophobicContact CD1-CG 4.37Å |
| 537 | A | 87.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -32 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P534 V619 T881 Y884 E885 | P534-A537 HydrophobicContact CB-CB 4.44Å; P534-A537 PolarHBondContact O-N 2.66Å; A537-V619 HydrophobicContact CB-CG1 4.16Å; A537-V619 HydrophobicContact CB-CG2 4.38Å; A537-T881 HydrophobicContact CB-CG2 3.81Å; A537-Y884 HydrophobicContact CB-CD1 4.34Å; A537-Y884 HydrophobicContact CB-CE1 4.27Å; A537-E885 HydrophobicContact CB-CG 3.73Å; A537-E885 VanDerWaalsContact CB-OE1 3.3Å; A537-E885 WeakPolarHBondContact CB-OE1 3.37Å |
| 538 | M | 86.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78 | -44.2 | 179.3 | -171.7 | 176.6 | 79.2 | 0 | 0 | 113.4 | N503 P505 P534 S535 L536 L877 T881 | N503-M538 WeakPolarHBondContact O-CE 3.35Å; N503-M538 WeakPolarHBondContact OD1-CE 3.31Å; P505-M538 HydrophobicContact CG-CE 3.54Å; P534-M538 PolarHBondContact O-N 2.81Å; S535-M538 PolarHBondContact O-N 3.15Å; L536-M538 PolarHBondContact O-N 3.31Å; M538-L877 HydrophobicContact CE-CD2 4.34Å; M538-L877 HydrophobicContact CG-CD1 4.16Å; M538-L877 HydrophobicContact CG-CD2 3.95Å; M538-L877 HydrophobicContact CG-CG 4.01Å; M538-L877 HydrophobicContact SD-CD1 4.38Å; M538-L877 HydrophobicContact SD-CD2 3.33Å; M538-L877 WeakPolarHBondContact SD-CD2 3.48Å; M538-L877 HydrophobicContact SD-CG 3.57Å; M538-L877 VanDerWaalsContact SD-CG 3.57Å; M538-T881 HydrophobicContact CB-CG2 4.2Å |
| 539 | C | 84.5 | Confident | 73.3 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -103.1 | -0.4 | -168.3 | -59.5 | 0 | 0 | 0 | 0 | 114.4 | E506 S535 L536 I555 R1021 | E506-C539 HydrophobicContact CG-CB 4Å; S535-C539 WeakPolarHBondContact O-CB 3.33Å; S535-C539 PolarHBondContact O-N 3.14Å; L536-C539 PolarHBondContact O-N 3.34Å; C539-I555 HydrophobicContact CB-CB 4.33Å; C539-I555 HydrophobicContact CB-CD1 3.62Å; C539-I555 HydrophobicContact CB-CG1 4.18Å; C539-I555 VanDerWaalsContact SG-CD1 3.59Å; C539-R1021 PolarHBondContact O-NH1 2.75Å |
| 540 | T | 83.2 | Confident | 70.8 | Confident | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | trans | -122.1 | 129.4 | -177.6 | 73.1 | 0 | 0 | 0 | 0 | 110.6 | L536 H556 W615 | L536-T540 HydrophobicContact CD2-CG2 3.93Å; L536-T540 VanDerWaalsContact O-CB 3.31Å; L536-T540 WeakPolarHBondContact O-CB 3.49Å; L536-T540 WeakPolarHBondContact O-CG2 3.44Å; L536-T540 PolarHBondContact O-N 3.42Å; L536-T540 PolarHBondContact O-OG1 2.89Å; T540-H556 HydrophobicContact CG2-CB 3.67Å; T540-W615 VanDerWaalsContact OG1-CE2 3.25Å; T540-W615 PolarHBondContact OG1-NE1 2.81Å | ||
| 541 | S | 75.7 | Confident | 68.7 | Low | 28 Ų | 28 | 50.1 Ų | 50.1 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | trans | -80.9 | 133.8 | 176 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | V543 | S541-V543 VanDerWaalsContact C-N 3.32Å; S541-V543 PolarHBondContact OG-N 3.45Å; S541-V543 PolarHBondContact OG-O 2.86Å | ||
| 542 | I | 73.5 | Confident | 66.9 | Low | 28 Ų | 28 | 54.8 Ų | 54.8 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -75.6 | -27.5 | 168.1 | -53.4 | 172.2 | 0 | 0 | 0 | 110.9 | A544 V619 H622 Y884 | I542-A544 PolarHBondContact O-N 3.3Å; I542-V619 HydrophobicContact CD1-CG1 4.12Å; I542-V619 WeakPolarHBondContact CD1-O 3.45Å; I542-H622 VanDerWaalsContact CG2-CE1 3.42Å; I542-H622 WeakPolarHBondContact CG2-CE1 3.47Å; I542-Y884 WeakPolarHBondContact CD1-OH 3.39Å |
| 543 | V | 64.2 | Low | 65.3 | Low | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -76 | 117.3 | 179 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | S541 T545 Q548 V1028 | S541-V543 VanDerWaalsContact C-N 3.32Å; S541-V543 PolarHBondContact OG-N 3.45Å; S541-V543 PolarHBondContact OG-O 2.86Å; V543-T545 HydrophobicContact CG1-CG2 4.46Å; V543-T545 PolarHBondContact O-N 3.18Å; V543-Q548 PolarHBondContact O-NE2 3.34Å; V543-V1028 HydrophobicContact CG2-CG2 3.84Å |
| 544 | A | 52.2 | Low | 64.9 | Low | 87 Ų | 87 | 58.6 Ų | 58.6 | 72% | 0.719 | 35% | 0.348 | S | S | * | . | trans | -65.8 | 93.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | I542 | I542-A544 PolarHBondContact O-N 3.3Š| ||
| 545 | T | 44.4 | Very low | 64.6 | Low | 66 Ų | 66 | 58.5 Ų | 58.5 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | trans | -79.3 | 142.5 | 167.4 | 54.8 | 0 | 0 | 0 | 0 | 108.7 | V543 S547 Q548 | V543-T545 HydrophobicContact CG1-CG2 4.46Å; V543-T545 PolarHBondContact O-N 3.18Å; T545-S547 PolarHBondContact O-N 3.28Å; T545-S547 PolarHBondContact OG1-OG 3.07Å; T545-Q548 WeakPolarHBondContact O-CB 3.34Å; T545-Q548 PolarHBondContact O-N 3.26Å | ||
| 546 | Q | 41.5 | Very low | 64.6 | Low | 196 Ų | 196 | 60.2 Ų | 60.2 | 92% | 0.916 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -55.2 | -18.3 | 179 | -68.6 | 177 | -7.6 | 0 | 0 | 113.3 | ||
| 547 | S | 44.9 | Very low | 64.4 | Low | 81 Ų | 81 | 61.6 Ų | 61.6 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -77.3 | -11.2 | 175.1 | 53 | 0 | 0 | 0 | 0 | 115.5 | T545 V549 | T545-S547 PolarHBondContact O-N 3.28Å; T545-S547 PolarHBondContact OG1-OG 3.07Å; S547-V549 VanDerWaalsContact C-N 3.27Å; S547-V549 PolarHBondContact O-N 2.86Å |
| 548 | Q | 40.5 | Very low | 64.4 | Low | 81 Ų | 81 | 62.3 Ų | 62.3 | 38% | 0.379 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -75.9 | -5.8 | -174.2 | -77.6 | -171.6 | -16.4 | 0 | 0 | 115.4 | V543 T545 D550 | V543-Q548 PolarHBondContact O-NE2 3.34Å; T545-Q548 WeakPolarHBondContact O-CB 3.34Å; T545-Q548 PolarHBondContact O-N 3.26Å; Q548-D550 PolarHBondContact O-N 3.21Å |
| 549 | V | 40.1 | Very low | 64.6 | Low | 128 Ų | 128 | 62.2 Ų | 62.2 | 78% | 0.776 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -66.4 | -19.8 | -178 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | S547 | S547-V549 VanDerWaalsContact C-N 3.27Å; S547-V549 PolarHBondContact O-N 2.86Å |
| 550 | D | 37.7 | Very low | 64.8 | Low | 132 Ų | 132 | 66.4 Ų | 66.4 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -119.3 | -1 | -172.8 | -67.6 | -33.1 | 0 | 0 | 0 | 116.2 | Q548 T552 | Q548-D550 PolarHBondContact O-N 3.21Å; D550-T552 PolarHBondContact O-N 3.21Å |
| 551 | D | 46.1 | Very low | 65.1 | Low | 95 Ų | 95 | 71.3 Ų | 71.3 | 51% | 0.508 | 41% | 0.407 | S | S | . | . | trans | -78 | 64.5 | 179.2 | -85.3 | -9.5 | 0 | 0 | 0 | 111.9 | S553 S554 | D551-S553 PolarHBondContact O-N 3.15Å; D551-S553 VanDerWaalsContact O-N 3.16Å; D551-S554 PolarHBondContact O-N 3.34Å; D551-S554 PolarHBondContact O-OG 3.31Å | ||
| 552 | T | 49.7 | Very low | 65.7 | Low | 123 Ų | 123 | 70 Ų | 70 | 76% | 0.755 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.6 | 171.8 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | D550 S557 | D550-T552 PolarHBondContact O-N 3.21Å; T552-S557 PolarHBondContact O-OG 3.43Å |
| 553 | S | 57.4 | Low | 66.4 | Low | 77 Ų | 77 | 70.1 Ų | 70.1 | 54% | 0.538 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 31.8 | -178.6 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | L509 D551 | L509-S553 WeakPolarHBondContact CD1-O 3.41Å; D551-S553 PolarHBondContact O-N 3.15Å; D551-S553 VanDerWaalsContact O-N 3.16Å |
| 554 | S | 81.3 | Confident | 67.4 | Low | 29 Ų | 29 | 71.4 Ų | 71.4 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -91.2 | 158 | 175 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | D551 H556 S557 L558 | D551-S554 PolarHBondContact O-N 3.34Å; D551-S554 PolarHBondContact O-OG 3.31Å; S554-H556 PolarHBondContact O-N 2.89Å; S554-S557 PolarHBondContact N-OG 3.46Å; S554-S557 PolarHBondContact O-N 3.13Å; S554-S557 PolarHBondContact O-OG 3.08Å; S554-S557 PolarHBondContact OG-N 3.43Å; S554-S557 PolarHBondContact OG-OG 3.47Å; S554-L558 PolarHBondContact O-N 3.12Å; S554-L558 VanDerWaalsContact O-N 3.12Å |
| 555 | I | 86.5 | Confident | 68.9 | Low | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -34.4 | 172.5 | -63.6 | -173.7 | 0 | 0 | 0 | 110.6 | P505 E506 L509 L536 C539 L558 Y559 | P505-I555 HydrophobicContact CB-CD1 3.69Å; P505-I555 HydrophobicContact CG-CD1 3.59Å; E506-I555 HydrophobicContact CG-CD1 3.98Å; E506-I555 HydrophobicContact CG-CG1 4.24Å; L509-I555 HydrophobicContact CD1-CG1 3.97Å; L509-I555 HydrophobicContact CG-CG1 4.49Å; L536-I555 HydrophobicContact CD2-CG2 4.07Å; C539-I555 HydrophobicContact CB-CB 4.33Å; C539-I555 HydrophobicContact CB-CD1 3.62Å; C539-I555 HydrophobicContact CB-CG1 4.18Å; C539-I555 VanDerWaalsContact SG-CD1 3.59Å; I555-L558 PolarHBondContact O-N 2.69Å; I555-Y559 HydrophobicContact CG2-CD2 3.77Å; I555-Y559 HydrophobicContact CG2-CE2 3.57Å; I555-Y559 VanDerWaalsContact O-CD2 3.22Å; I555-Y559 WeakPolarHBondContact O-CD2 3.42Å; I555-Y559 PolarHBondContact O-N 3.21Å |
| 556 | H | 88.4 | Confident | 70.9 | Confident | 38 Ų | 38 | 65.3 Ų | 65.3 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 175.2 | -166 | 75.1 | 0 | 0 | 0 | 112.3 | T540 S554 L558 Y559 Q560 W615 | T540-H556 HydrophobicContact CG2-CB 3.67Å; S554-H556 PolarHBondContact O-N 2.89Å; H556-L558 VanDerWaalsContact C-N 3.3Å; H556-L558 PolarHBondContact O-N 2.77Å; H556-Y559 PolarHBondContact O-N 3.16Å; H556-Q560 PolarHBondContact CD2-NE2 3.25Å; H556-Q560 VanDerWaalsContact CD2-NE2 3.26Å; H556-Q560 PolarHBondContact NE2-NE2 3.15Å; H556-Q560 WeakPolarHBondContact O-CG 3.36Å; H556-Q560 PolarHBondContact O-N 3.09Å; H556-W615 AromaticContact CE1-CE3 3.66Å; H556-W615 AromaticContact CE1-CH2 3.77Å; H556-W615 AromaticContact CE1-CZ3 3.28Å; H556-W615 WeakPolarHBondContact CE1-CZ3 3.26Å; H556-W615 AromaticContact ND1-CZ3 3.89Å |
| 557 | S | 86.6 | Confident | 72.8 | Confident | 29 Ų | 29 | 60 Ų | 60 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -35.5 | 179.2 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | T552 S554 Q560 K561 | T552-S557 PolarHBondContact O-OG 3.43Å; S554-S557 PolarHBondContact N-OG 3.46Å; S554-S557 PolarHBondContact O-N 3.13Å; S554-S557 PolarHBondContact O-OG 3.08Å; S554-S557 PolarHBondContact OG-N 3.43Å; S554-S557 PolarHBondContact OG-OG 3.47Å; S557-Q560 PolarHBondContact O-N 3.18Å; S557-K561 VanDerWaalsContact O-CB 3.3Å; S557-K561 WeakPolarHBondContact O-CB 3.48Å; S557-K561 PolarHBondContact O-N 3.3Å |
| 558 | L | 88.1 | Confident | 74.6 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 173.2 | -179 | 68.9 | 0 | 0 | 0 | 111.7 | L509 L512 F522 I529 S554 I555 H556 Q560 K561 I562 | L509-L558 HydrophobicContact CD2-CB 4.29Å; L509-L558 HydrophobicContact CD2-CD2 3.62Å; L509-L558 HydrophobicContact CD2-CG 4.47Å; L512-L558 HydrophobicContact CD1-CD2 4.28Å; F522-L558 HydrophobicContact CE1-CD1 4.08Å; F522-L558 HydrophobicContact CZ-CD1 4.09Å; I529-L558 HydrophobicContact CD1-CD2 3.5Å; I529-L558 VanDerWaalsContact CD1-CD2 3.5Å; I529-L558 HydrophobicContact CG1-CD2 4.24Å; I529-L558 HydrophobicContact CG2-CD2 4.02Å; S554-L558 PolarHBondContact O-N 3.12Å; S554-L558 VanDerWaalsContact O-N 3.12Å; I555-L558 PolarHBondContact O-N 2.69Å; H556-L558 VanDerWaalsContact C-N 3.3Å; H556-L558 PolarHBondContact O-N 2.77Å; L558-Q560 VanDerWaalsContact C-N 3.33Å; L558-Q560 PolarHBondContact O-N 3.29Å; L558-K561 WeakPolarHBondContact O-CB 3.16Å; L558-K561 PolarHBondContact O-N 3.09Å; L558-K561 VanDerWaalsContact O-N 3.14Å; L558-I562 HydrophobicContact CD1-CD1 4.19Å; L558-I562 HydrophobicContact CD1-CG1 4.35Å; L558-I562 HydrophobicContact CD2-CD1 4.35Å; L558-I562 HydrophobicContact CG-CD1 3.9Å; L558-I562 HydrophobicContact CG-CG1 4.41Å; L558-I562 WeakPolarHBondContact O-CG1 3.5Å; L558-I562 PolarHBondContact O-N 2.98Å |
| 559 | Y | 90.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 178.7 | -85.8 | -128.8 | 0 | 0 | 0 | 111.2 | V530 S535 L536 I555 H556 I562 T563 V608 E611 M612 | V530-Y559 HydrophobicContact CG2-CE2 4.27Å; S535-Y559 PolarHBondContact OG-OH 3.48Å; S535-Y559 VanDerWaalsContact OG-OH 3.04Å; L536-Y559 HydrophobicContact CD1-CD1 3.74Å; L536-Y559 HydrophobicContact CD1-CE1 4.05Å; L536-Y559 HydrophobicContact CD1-CG 4.46Å; L536-Y559 HydrophobicContact CD2-CD1 4.05Å; L536-Y559 HydrophobicContact CD2-CD2 4.36Å; L536-Y559 HydrophobicContact CD2-CE1 4.41Å; L536-Y559 HydrophobicContact CD2-CG 4.02Å; L536-Y559 HydrophobicContact CG-CD1 4Å; L536-Y559 HydrophobicContact CG-CE1 4.04Å; L536-Y559 HydrophobicContact CG-CG 4.48Å; I555-Y559 HydrophobicContact CG2-CD2 3.77Å; I555-Y559 HydrophobicContact CG2-CE2 3.57Å; I555-Y559 VanDerWaalsContact O-CD2 3.22Å; I555-Y559 WeakPolarHBondContact O-CD2 3.42Å; I555-Y559 PolarHBondContact O-N 3.21Å; H556-Y559 PolarHBondContact O-N 3.16Å; Y559-I562 PolarHBondContact O-N 3.47Å; Y559-T563 WeakPolarHBondContact O-CB 3.35Å; Y559-T563 PolarHBondContact O-N 2.87Å; Y559-T563 PolarHBondContact O-OG1 3.49Å; Y559-V608 HydrophobicContact CD1-CB 4.13Å; Y559-V608 HydrophobicContact CD1-CG1 3.73Å; Y559-V608 HydrophobicContact CD1-CG2 4.03Å; Y559-V608 HydrophobicContact CE1-CB 4.49Å; Y559-V608 HydrophobicContact CE1-CG2 4.11Å; Y559-V608 HydrophobicContact CG-CG1 3.93Å; Y559-V608 HydrophobicContact CG-CG2 4.32Å; Y559-V608 VanDerWaalsContact O-CG1 3.23Å; Y559-V608 WeakPolarHBondContact O-CG1 3.34Å; Y559-E611 HydrophobicContact CD1-CB 4.46Å; Y559-E611 HydrophobicContact CE1-CB 3.95Å; Y559-M612 VanDerWaalsContact C-SD 3.56Å; Y559-M612 HydrophobicContact CD1-CG 4.12Å |
| 560 | Q | 89.1 | Confident | 78.8 | Confident | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 171.6 | -71.7 | -176.6 | -6.4 | 0 | 0 | 112.3 | H556 S557 L558 T563 T564 M612 | H556-Q560 PolarHBondContact CD2-NE2 3.25Å; H556-Q560 VanDerWaalsContact CD2-NE2 3.26Å; H556-Q560 PolarHBondContact NE2-NE2 3.15Å; H556-Q560 WeakPolarHBondContact O-CG 3.36Å; H556-Q560 PolarHBondContact O-N 3.09Å; S557-Q560 PolarHBondContact O-N 3.18Å; L558-Q560 VanDerWaalsContact C-N 3.33Å; L558-Q560 PolarHBondContact O-N 3.29Å; Q560-T563 PolarHBondContact O-N 2.88Å; Q560-T564 WeakPolarHBondContact O-CB 3.31Å; Q560-T564 PolarHBondContact O-N 3.4Å; Q560-T564 PolarHBondContact O-OG1 2.89Å; Q560-M612 HydrophobicContact CB-CE 4.41Å; Q560-M612 HydrophobicContact CG-CE 3.55Å; Q560-M612 HydrophobicContact CG-SD 4.5Å |
| 561 | K | 87.9 | Confident | 80.9 | Confident | 113 Ų | 113 | 46.5 Ų | 46.5 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.5 | -178.3 | -177.8 | 177 | -175.3 | 0 | 111 | S557 L558 T564 L565 | S557-K561 VanDerWaalsContact O-CB 3.3Å; S557-K561 WeakPolarHBondContact O-CB 3.48Å; S557-K561 PolarHBondContact O-N 3.3Å; L558-K561 WeakPolarHBondContact O-CB 3.16Å; L558-K561 PolarHBondContact O-N 3.09Å; L558-K561 VanDerWaalsContact O-N 3.14Å; K561-T564 PolarHBondContact O-N 3.36Å; K561-L565 WeakPolarHBondContact O-CB 3.47Å; K561-L565 PolarHBondContact O-N 2.66Å |
| 562 | I | 89.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.9 | -66.5 | 169 | 0 | 0 | 0 | 110.9 | F522 V530 L558 Y559 T564 L565 S566 F605 V608 | F522-I562 HydrophobicContact CD1-CD1 3.97Å; F522-I562 HydrophobicContact CD1-CG1 4.12Å; F522-I562 HydrophobicContact CE1-CD1 4.13Å; F522-I562 HydrophobicContact CE1-CG1 4.27Å; F522-I562 HydrophobicContact CG-CG1 4.42Å; V530-I562 HydrophobicContact CG2-CD1 4.2Å; L558-I562 HydrophobicContact CD1-CD1 4.19Å; L558-I562 HydrophobicContact CD1-CG1 4.35Å; L558-I562 HydrophobicContact CD2-CD1 4.35Å; L558-I562 HydrophobicContact CG-CD1 3.9Å; L558-I562 HydrophobicContact CG-CG1 4.41Å; L558-I562 WeakPolarHBondContact O-CG1 3.5Å; L558-I562 PolarHBondContact O-N 2.98Å; Y559-I562 PolarHBondContact O-N 3.47Å; I562-T564 PolarHBondContact O-N 2.91Å; I562-L565 PolarHBondContact O-N 3.07Å; I562-S566 WeakPolarHBondContact O-CB 3.26Å; I562-S566 PolarHBondContact O-N 3.13Å; I562-F605 HydrophobicContact CG2-CD1 3.77Å; I562-F605 HydrophobicContact CG2-CE1 4.01Å; I562-V608 HydrophobicContact CB-CG1 4.28Å; I562-V608 HydrophobicContact CB-CG2 4.38Å; I562-V608 HydrophobicContact CD1-CG2 4.28Å; I562-V608 HydrophobicContact CG2-CB 4.3Å; I562-V608 HydrophobicContact CG2-CG1 4.29Å; I562-V608 HydrophobicContact CG2-CG2 3.96Å |
| 563 | T | 87.6 | Confident | 84.6 | Confident | 32 Ų | 32 | 40 Ų | 40 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.2 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | Y559 Q560 N567 V608 R609 M612 | Y559-T563 WeakPolarHBondContact O-CB 3.35Å; Y559-T563 PolarHBondContact O-N 2.87Å; Y559-T563 PolarHBondContact O-OG1 3.49Å; Q560-T563 PolarHBondContact O-N 2.88Å; T563-N567 PolarHBondContact O-N 2.95Å; T563-V608 WeakPolarHBondContact OG1-CG1 3.23Å; T563-R609 HydrophobicContact CG2-CG 4.36Å; T563-M612 PolarHBondContact OG1-SD 3.18Å |
| 564 | T | 85.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 38.2 Ų | 38.2 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.9 | -43.1 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 111 | Q560 K561 I562 N567 S568 | Q560-T564 WeakPolarHBondContact O-CB 3.31Å; Q560-T564 PolarHBondContact O-N 3.4Å; Q560-T564 PolarHBondContact O-OG1 2.89Å; K561-T564 PolarHBondContact O-N 3.36Å; I562-T564 PolarHBondContact O-N 2.91Å; T564-N567 PolarHBondContact O-N 3.15Å; T564-S568 PolarHBondContact O-N 2.94Å; T564-S568 VanDerWaalsContact O-N 3.15Å; T564-S568 PolarHBondContact O-OG 3.2Å |
| 565 | L | 84.9 | Confident | 86.1 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.7 | 176 | 66.1 | 0 | 0 | 0 | 111.4 | Q519 F522 K561 I562 N567 S568 M569 | Q519-L565 HydrophobicContact CB-CD1 4.3Å; Q519-L565 HydrophobicContact CG-CD1 3.96Å; F522-L565 HydrophobicContact CD2-CD2 3.63Å; F522-L565 HydrophobicContact CE2-CD2 4.29Å; F522-L565 HydrophobicContact CG-CD2 4.38Å; K561-L565 WeakPolarHBondContact O-CB 3.47Å; K561-L565 PolarHBondContact O-N 2.66Å; I562-L565 PolarHBondContact O-N 3.07Å; L565-N567 VanDerWaalsContact C-N 3.3Å; L565-N567 PolarHBondContact O-N 2.72Å; L565-S568 WeakPolarHBondContact CA-OG 3.41Å; L565-S568 PolarHBondContact O-N 3.4Å; L565-S568 PolarHBondContact O-OG 3.28Å; L565-M569 HydrophobicContact CD1-CG 3.86Å; L565-M569 HydrophobicContact CD1-SD 3.82Å; L565-M569 HydrophobicContact CD2-SD 4.07Å; L565-M569 HydrophobicContact CG-CG 4.13Å; L565-M569 HydrophobicContact CG-SD 3.62Å; L565-M569 WeakPolarHBondContact O-CG 3.34Å; L565-M569 PolarHBondContact O-N 2.82Å |
| 566 | S | 84.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.8 | -48.3 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | I562 S568 M569 V570 F605 R609 | I562-S566 WeakPolarHBondContact O-CB 3.26Å; I562-S566 PolarHBondContact O-N 3.13Å; S566-S568 VanDerWaalsContact C-N 3.35Å; S566-S568 PolarHBondContact O-N 2.85Å; S566-M569 PolarHBondContact O-N 3.34Å; S566-V570 WeakPolarHBondContact O-CG2 3.45Å; S566-V570 PolarHBondContact O-N 3.45Å; S566-V570 VanDerWaalsContact O-N 3.12Å; S566-F605 WeakPolarHBondContact OG-CD2 3.18Å; S566-F605 WeakPolarHBondContact OG-CG 3.39Å; S566-R609 PolarHBondContact OG-NH2 3.16Å |
| 567 | N | 81.4 | Confident | 86.1 | Confident | 86 Ų | 86 | 43.5 Ų | 43.5 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65 | -38.7 | 179 | -66 | -18.1 | 0 | 0 | 0 | 112 | T563 T564 L565 T571 R609 | T563-N567 PolarHBondContact O-N 2.95Å; T564-N567 PolarHBondContact O-N 3.15Å; L565-N567 VanDerWaalsContact C-N 3.3Å; L565-N567 PolarHBondContact O-N 2.72Å; N567-T571 PolarHBondContact O-N 3.01Å; N567-T571 PolarHBondContact O-OG1 3.49Å; N567-R609 PolarHBondContact OD1-NH2 3.23Å |
| 568 | S | 82.7 | Confident | 86.1 | Confident | 53 Ų | 53 | 42.8 Ų | 42.8 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 176.5 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | T564 L565 S566 T571 E572 | T564-S568 PolarHBondContact O-N 2.94Å; T564-S568 VanDerWaalsContact O-N 3.15Å; T564-S568 PolarHBondContact O-OG 3.2Å; L565-S568 WeakPolarHBondContact CA-OG 3.41Å; L565-S568 PolarHBondContact O-N 3.4Å; L565-S568 PolarHBondContact O-OG 3.28Å; S566-S568 VanDerWaalsContact C-N 3.35Å; S566-S568 PolarHBondContact O-N 2.85Å; S568-T571 PolarHBondContact O-N 3.34Å; S568-E572 WeakPolarHBondContact O-CB 3.24Å; S568-E572 PolarHBondContact O-N 2.9Å |
| 569 | M | 85.7 | Confident | 86 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.044 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | -177.8 | -72 | 176.7 | 67.9 | 0 | 0 | 112.2 | Q519 L520 L523 L565 S566 T571 E572 A573 L599 F605 | Q519-M569 HydrophobicContact CB-SD 4.44Å; L520-M569 HydrophobicContact CB-CE 4.37Å; L520-M569 HydrophobicContact CD2-CE 3.37Å; L520-M569 HydrophobicContact CG-CE 3.82Å; L523-M569 HydrophobicContact CD1-CE 3.9Å; L523-M569 HydrophobicContact CG-CE 4.48Å; L565-M569 HydrophobicContact CD1-CG 3.86Å; L565-M569 HydrophobicContact CD1-SD 3.82Å; L565-M569 HydrophobicContact CD2-SD 4.07Å; L565-M569 HydrophobicContact CG-CG 4.13Å; L565-M569 HydrophobicContact CG-SD 3.62Å; L565-M569 WeakPolarHBondContact O-CG 3.34Å; L565-M569 PolarHBondContact O-N 2.82Å; S566-M569 PolarHBondContact O-N 3.34Å; M569-T571 VanDerWaalsContact C-N 3.33Å; M569-E572 PolarHBondContact O-N 3.42Å; M569-A573 VanDerWaalsContact O-CB 3.3Å; M569-A573 WeakPolarHBondContact O-CB 3.22Å; M569-A573 PolarHBondContact O-N 3.27Å; M569-L599 HydrophobicContact CE-CD2 4.02Å; M569-F605 HydrophobicContact CE-CZ 4.45Å; M569-F605 HydrophobicContact SD-CZ 3.89Å |
| 570 | V | 84.2 | Confident | 85.9 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.1 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | S566 A573 E574 I596 L599 | S566-V570 WeakPolarHBondContact O-CG2 3.45Å; S566-V570 PolarHBondContact O-N 3.45Å; S566-V570 VanDerWaalsContact O-N 3.12Å; V570-A573 PolarHBondContact O-N 3.36Å; V570-E574 WeakPolarHBondContact O-CG 3.5Å; V570-E574 PolarHBondContact O-N 2.89Å; V570-I596 HydrophobicContact CG1-CG2 4.42Å; V570-L599 HydrophobicContact CG2-CB 4.08Å |
| 571 | T | 82.4 | Confident | 85.7 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 178.4 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | N567 S568 M569 E574 E575 | N567-T571 PolarHBondContact O-N 3.01Å; N567-T571 PolarHBondContact O-OG1 3.49Å; S568-T571 PolarHBondContact O-N 3.34Å; M569-T571 VanDerWaalsContact C-N 3.33Å; T571-E574 PolarHBondContact O-N 3.2Å; T571-E575 WeakPolarHBondContact O-CG 3.37Å; T571-E575 PolarHBondContact O-N 3.45Å |
| 572 | E | 84.6 | Confident | 85.6 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 36% | 0.355 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 179.2 | -170.3 | -179.3 | 173.4 | 0 | 0 | 111.7 | S568 M569 E574 E575 F576 | S568-E572 WeakPolarHBondContact O-CB 3.24Å; S568-E572 PolarHBondContact O-N 2.9Å; M569-E572 PolarHBondContact O-N 3.42Å; E572-E574 VanDerWaalsContact C-N 3.35Å; E572-E574 PolarHBondContact O-N 2.83Å; E572-E575 WeakPolarHBondContact O-CB 3.3Å; E572-E575 PolarHBondContact O-N 3.24Å; E572-E575 VanDerWaalsContact O-N 3.17Å; E572-F576 HydrophobicContact CG-CD2 4.18Å; E572-F576 HydrophobicContact CG-CE2 3.55Å; E572-F576 HydrophobicContact CG-CZ 4.03Å; E572-F576 VanDerWaalsContact O-CD2 3.24Å; E572-F576 WeakPolarHBondContact O-CD2 3.37Å; E572-F576 PolarHBondContact O-N 3.08Å |
| 573 | A | 87 | Confident | 85.4 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M569 V570 E575 F576 L577 F595 I596 L599 | M569-A573 VanDerWaalsContact O-CB 3.3Å; M569-A573 WeakPolarHBondContact O-CB 3.22Å; M569-A573 PolarHBondContact O-N 3.27Å; V570-A573 PolarHBondContact O-N 3.36Å; A573-E575 VanDerWaalsContact C-N 3.32Å; A573-E575 PolarHBondContact O-N 3.11Å; A573-F576 PolarHBondContact O-N 3.5Å; A573-L577 PolarHBondContact O-N 3.19Å; A573-F595 HydrophobicContact CB-CD1 4.37Å; A573-F595 HydrophobicContact CB-CE1 4.45Å; A573-I596 HydrophobicContact CB-CD1 4.43Å; A573-I596 HydrophobicContact CB-CG1 3.56Å; A573-L599 HydrophobicContact CB-CD1 3.68Å |
| 574 | E | 86 | Confident | 85.3 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -34.2 | 172.5 | -74.2 | 175.9 | 176.6 | 0 | 0 | 112.4 | Q122 R124 V570 T571 E572 L577 V578 I596 | Q122-E574 HydrophobicContact CG-CB 4.46Å; R124-E574 IonicContact NH1-OE1 2.71Å; R124-E574 PolarHBondContact NH1-OE1 3.33Å; R124-E574 VanDerWaalsContact NH1-OE1 3.08Å; V570-E574 WeakPolarHBondContact O-CG 3.5Å; V570-E574 PolarHBondContact O-N 2.89Å; T571-E574 PolarHBondContact O-N 3.2Å; E572-E574 VanDerWaalsContact C-N 3.35Å; E572-E574 PolarHBondContact O-N 2.83Å; E574-L577 PolarHBondContact O-N 2.97Å; E574-V578 WeakPolarHBondContact O-CG2 3.14Å; E574-V578 PolarHBondContact O-N 3.08Å; E574-V578 VanDerWaalsContact O-N 3.09Å; E574-I596 HydrophobicContact CG-CD1 4.06Å; E574-I596 HydrophobicContact CG-CG1 4.48Å; E574-I596 HydrophobicContact CG-CG2 4.08Å |
| 575 | E | 84.7 | Confident | 85.4 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 35% | 0.346 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.4 | -40.2 | 172.1 | -72.6 | 176.7 | -173.3 | 0 | 0 | 112 | T571 E572 A573 L577 V578 A579 | T571-E575 WeakPolarHBondContact O-CG 3.37Å; T571-E575 PolarHBondContact O-N 3.45Å; E572-E575 WeakPolarHBondContact O-CB 3.3Å; E572-E575 PolarHBondContact O-N 3.24Å; E572-E575 VanDerWaalsContact O-N 3.17Å; A573-E575 VanDerWaalsContact C-N 3.32Å; A573-E575 PolarHBondContact O-N 3.11Å; E575-L577 VanDerWaalsContact C-N 3.34Å; E575-L577 PolarHBondContact O-N 2.9Å; E575-V578 WeakPolarHBondContact O-CB 3.31Å; E575-V578 PolarHBondContact O-N 3.17Å; E575-A579 WeakPolarHBondContact O-CB 3.42Å; E575-A579 PolarHBondContact O-N 3.35Å |
| 576 | F | 86.5 | Confident | 85.5 | Confident | 103 Ų | 103 | 45.8 Ų | 45.8 | 45% | 0.452 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 173.4 | -69.7 | -48.9 | 0 | 0 | 0 | 112.6 | E572 A573 A579 A580 F592 | E572-F576 HydrophobicContact CG-CD2 4.18Å; E572-F576 HydrophobicContact CG-CE2 3.55Å; E572-F576 HydrophobicContact CG-CZ 4.03Å; E572-F576 VanDerWaalsContact O-CD2 3.24Å; E572-F576 WeakPolarHBondContact O-CD2 3.37Å; E572-F576 PolarHBondContact O-N 3.08Å; A573-F576 PolarHBondContact O-N 3.5Å; F576-A579 PolarHBondContact O-N 3.49Å; F576-A580 PolarHBondContact O-N 3.44Å; F576-F592 HydrophobicContact CB-CE1 4.37Å; F576-F592 HydrophobicContact CB-CZ 4.41Å |
| 577 | L | 88.2 | Confident | 85.6 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 172.6 | 179.9 | 66.2 | 0 | 0 | 0 | 111.1 | V121 A573 E574 E575 A579 A580 Y581 V589 F592 I596 | V121-L577 HydrophobicContact CG1-CD2 3.69Å; V121-L577 HydrophobicContact CG1-CG 3.68Å; A573-L577 PolarHBondContact O-N 3.19Å; E574-L577 PolarHBondContact O-N 2.97Å; E575-L577 VanDerWaalsContact C-N 3.34Å; E575-L577 PolarHBondContact O-N 2.9Å; L577-A579 VanDerWaalsContact C-N 3.33Å; L577-A579 PolarHBondContact O-N 2.84Å; L577-A580 WeakPolarHBondContact O-CB 3.47Å; L577-A580 PolarHBondContact O-N 3.34Å; L577-Y581 HydrophobicContact CD1-CE2 4.23Å; L577-Y581 WeakPolarHBondContact O-CD2 3.3Å; L577-Y581 PolarHBondContact O-N 2.73Å; L577-V589 HydrophobicContact CD1-CB 4.44Å; L577-V589 HydrophobicContact CD1-CG1 3.91Å; L577-F592 HydrophobicContact CB-CB 4.3Å; L577-F592 HydrophobicContact CD1-CB 3.92Å; L577-I596 HydrophobicContact CB-CD1 3.85Å; L577-I596 HydrophobicContact CD2-CD1 3.76Å; L577-I596 HydrophobicContact CG-CD1 4.36Å |
| 578 | V | 86.3 | Confident | 85.9 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 9% | 0.085 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 174.4 | 163.1 | 0 | 0 | 0 | 0 | 111.5 | L118 V121 Q122 E574 E575 A580 Y581 R582 | L118-V578 HydrophobicContact CB-CG1 4.48Å; L118-V578 HydrophobicContact CB-CG2 4.48Å; L118-V578 HydrophobicContact CD1-CG1 4.08Å; L118-V578 HydrophobicContact CD2-CG1 3.96Å; L118-V578 HydrophobicContact CG-CG1 4.39Å; V121-V578 HydrophobicContact CG1-CG2 4.38Å; Q122-V578 HydrophobicContact CG-CG2 3.52Å; E574-V578 WeakPolarHBondContact O-CG2 3.14Å; E574-V578 PolarHBondContact O-N 3.08Å; E574-V578 VanDerWaalsContact O-N 3.09Å; E575-V578 WeakPolarHBondContact O-CB 3.31Å; E575-V578 PolarHBondContact O-N 3.17Å; V578-A580 VanDerWaalsContact C-N 3.29Å; V578-A580 PolarHBondContact O-N 2.69Å; V578-Y581 PolarHBondContact O-N 2.91Å; V578-R582 PolarHBondContact O-N 2.73Å; V578-R582 VanDerWaalsContact O-N 3.13Å |
| 579 | A | 86.6 | Confident | 86.2 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.2 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | E575 F576 L577 Y581 R582 K583 | E575-A579 WeakPolarHBondContact O-CB 3.42Å; E575-A579 PolarHBondContact O-N 3.35Å; F576-A579 PolarHBondContact O-N 3.49Å; L577-A579 VanDerWaalsContact C-N 3.33Å; L577-A579 PolarHBondContact O-N 2.84Å; A579-Y581 PolarHBondContact O-N 2.71Å; A579-R582 PolarHBondContact O-N 3.14Å; A579-K583 WeakPolarHBondContact O-CB 3.43Å; A579-K583 WeakPolarHBondContact O-CG 3.38Å; A579-K583 PolarHBondContact O-N 3.47Å |
| 580 | A | 87.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F576 L577 V578 H584 A585 V589 F592 | F576-A580 PolarHBondContact O-N 3.44Å; L577-A580 WeakPolarHBondContact O-CB 3.47Å; L577-A580 PolarHBondContact O-N 3.34Å; V578-A580 VanDerWaalsContact C-N 3.29Å; V578-A580 PolarHBondContact O-N 2.69Å; A580-H584 PolarHBondContact O-N 3.09Å; A580-A585 HydrophobicContact CB-CB 4.41Å; A580-A585 PolarHBondContact O-N 2.85Å; A580-V589 HydrophobicContact CB-CG2 3.95Å; A580-F592 HydrophobicContact CB-CD2 3.88Å; A580-F592 HydrophobicContact CB-CE2 3.93Å |
| 581 | Y | 86.6 | Confident | 86.4 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 173.8 | -82.3 | -86.5 | 0 | 0 | 0 | 112.8 | F117 V121 Q129 W148 M151 L577 V578 A579 V589 | F117-Y581 AromaticContact CE1-CD1 3.84Å; F117-Y581 HydrophobicContact CE1-CD1 3.84Å; F117-Y581 HydrophobicContact CE1-CE1 4.27Å; F117-Y581 HydrophobicContact CE1-CG 4.23Å; F117-Y581 AromaticContact CZ-CD1 3.82Å; F117-Y581 HydrophobicContact CZ-CD1 3.82Å; F117-Y581 AromaticContact CZ-CE1 3.83Å; F117-Y581 HydrophobicContact CZ-CE1 3.83Å; V121-Y581 HydrophobicContact CB-CE2 4.49Å; V121-Y581 HydrophobicContact CG1-CD2 3.75Å; V121-Y581 HydrophobicContact CG1-CE2 3.62Å; V121-Y581 HydrophobicContact CG2-CD2 4.07Å; V121-Y581 HydrophobicContact CG2-CE2 3.94Å; V121-Y581 HydrophobicContact CG2-CG 4.49Å; Q129-Y581 PolarHBondContact NE2-OH 2.84Å; W148-Y581 AromaticContact CD1-CD1 3.89Å; W148-Y581 HydrophobicContact CG-CD1 4.29Å; W148-Y581 PolarHBondContact NE1-O 2.71Å; M151-Y581 HydrophobicContact CB-CE1 3.94Å; M151-Y581 HydrophobicContact CG-CE1 3.63Å; M151-Y581 VanDerWaalsContact CG-OH 3.26Å; M151-Y581 WeakPolarHBondContact CG-OH 3.16Å; L577-Y581 HydrophobicContact CD1-CE2 4.23Å; L577-Y581 WeakPolarHBondContact O-CD2 3.3Å; L577-Y581 PolarHBondContact O-N 2.73Å; V578-Y581 PolarHBondContact O-N 2.91Å; A579-Y581 PolarHBondContact O-N 2.71Å; Y581-V589 HydrophobicContact CD2-CG1 4.47Å; Y581-V589 HydrophobicContact CD2-CG2 4.13Å; Y581-V589 HydrophobicContact CE2-CB 4.4Å; Y581-V589 HydrophobicContact CE2-CG1 3.51Å; Y581-V589 HydrophobicContact CE2-CG2 3.93Å; Y581-V589 WeakPolarHBondContact OH-CG1 3.46Å |
| 582 | R | 85.2 | Confident | 86.8 | Confident | 151 Ų | 151 | 52 Ų | 52 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.1 | -38.2 | 178.7 | -73 | -177.6 | 173.9 | -174.1 | -3.3 | 112.8 | L118 V578 A579 | L118-R582 HydrophobicContact CD1-CG 4.45Å; L118-R582 VanDerWaalsContact CD1-NE 3.32Å; V578-R582 PolarHBondContact O-N 2.73Å; V578-R582 VanDerWaalsContact O-N 3.13Å; A579-R582 PolarHBondContact O-N 3.14Å |
| 583 | K | 86 | Confident | 87 | Confident | 169 Ų | 169 | 49 Ų | 49 | 74% | 0.735 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.4 | -179.5 | -65.5 | -172.9 | 176 | -176.4 | 0 | 113.6 | A579 A585 | A579-K583 WeakPolarHBondContact O-CB 3.43Å; A579-K583 WeakPolarHBondContact O-CG 3.38Å; A579-K583 PolarHBondContact O-N 3.47Å; K583-A585 PolarHBondContact O-N 2.85Å |
| 584 | H | 85.3 | Confident | 87 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 29.5 | 179.3 | -43.9 | -75.6 | 0 | 0 | 0 | 114.6 | S144 R187 S189 A580 Y586 | S144-H584 PolarHBondContact OG-CE1 3.15Å; R187-H584 PolarHBondContact NH1-CD2 3.32Å; R187-H584 PolarHBondContact NH2-CD2 3.31Å; R187-H584 PolarHBondContact NH2-NE2 3.34Å; S189-H584 PolarHBondContact OG-O 3.06Å; S189-H584 VanDerWaalsContact OG-O 3.09Å; A580-H584 PolarHBondContact O-N 3.09Å; H584-Y586 HydrophobicContact CB-CD2 4.42Å; H584-Y586 HydrophobicContact CB-CE2 3.78Å; H584-Y586 AromaticContact ND1-CZ 3.74Å; H584-Y586 PolarHBondContact ND1-OH 3.48Å; H584-Y586 PolarHBondContact O-N 2.97Å |
| 585 | A | 87.3 | Confident | 87.2 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | trans | -85.5 | 60.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A580 K583 T587 K588 | A580-A585 HydrophobicContact CB-CB 4.41Å; A580-A585 PolarHBondContact O-N 2.85Å; K583-A585 PolarHBondContact O-N 2.85Å; A585-T587 PolarHBondContact O-N 3.41Å; A585-K588 PolarHBondContact O-N 3.3Å; A585-K588 VanDerWaalsContact O-N 3.15Å | ||
| 586 | Y | 87.1 | Confident | 87.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | -168.7 | -65.6 | -50.4 | 0 | 0 | 0 | 114.1 | Y147 M151 E190 H584 K588 V589 | Y147-Y586 VanDerWaalsContact CB-OH 3.27Å; Y147-Y586 WeakPolarHBondContact CB-OH 3.36Å; Y147-Y586 HydrophobicContact CD1-CD2 4.48Å; Y147-Y586 HydrophobicContact CD1-CE2 4.17Å; Y147-Y586 HydrophobicContact CD2-CE2 4.11Å; Y147-Y586 HydrophobicContact CG-CD2 4.42Å; Y147-Y586 AromaticContact CG-CE2 3.69Å; Y147-Y586 HydrophobicContact CG-CE2 3.69Å; M151-Y586 VanDerWaalsContact CE-CB 3.41Å; M151-Y586 HydrophobicContact CE-CD1 4.07Å; M151-Y586 HydrophobicContact CE-CG 4.09Å; M151-Y586 WeakPolarHBondContact CE-O 3.49Å; E190-Y586 HydrophobicContact CG-CD2 4.26Å; E190-Y586 HydrophobicContact CG-CE2 4.32Å; H584-Y586 HydrophobicContact CB-CD2 4.42Å; H584-Y586 HydrophobicContact CB-CE2 3.78Å; H584-Y586 AromaticContact ND1-CZ 3.74Å; H584-Y586 PolarHBondContact ND1-OH 3.48Å; H584-Y586 PolarHBondContact O-N 2.97Å; Y586-K588 PolarHBondContact O-N 3.09Å; Y586-K588 VanDerWaalsContact O-N 3.16Å; Y586-V589 WeakPolarHBondContact O-CB 3.36Å; Y586-V589 PolarHBondContact O-N 3.49Å; Y586-V589 VanDerWaalsContact O-N 3.1Å |
| 587 | T | 85.6 | Confident | 87.4 | Confident | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.129 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -29.1 | 176.8 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | Q192 A585 | Q192-T587 HydrophobicContact CB-CG2 3.74Å; A585-T587 PolarHBondContact O-N 3.41Å |
| 588 | K | 88.3 | Confident | 87.5 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 37% | 0.365 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -86.1 | -15.1 | 179.3 | -60.8 | -55.2 | -174.5 | -176.2 | 0 | 114.9 | A585 Y586 R590 E591 F592 | A585-K588 PolarHBondContact O-N 3.3Å; A585-K588 VanDerWaalsContact O-N 3.15Å; Y586-K588 PolarHBondContact O-N 3.09Å; Y586-K588 VanDerWaalsContact O-N 3.16Å; K588-R590 VanDerWaalsContact C-N 3.27Å; K588-R590 PolarHBondContact O-N 3.12Å; K588-E591 VanDerWaalsContact CD-OE2 3.23Å; K588-E591 WeakPolarHBondContact CD-OE2 3.46Å; K588-E591 IonicContact NZ-OE1 3.52Å; K588-E591 PolarHBondContact NZ-OE1 2.82Å; K588-E591 IonicContact NZ-OE2 3.45Å; K588-E591 PolarHBondContact NZ-OE2 3.47Å; K588-E591 PolarHBondContact O-N 2.85Å; K588-F592 HydrophobicContact CB-CD2 3.96Å; K588-F592 HydrophobicContact CB-CE2 3.62Å; K588-F592 HydrophobicContact CB-CZ 4.26Å; K588-F592 WeakPolarHBondContact O-CB 3.3Å; K588-F592 WeakPolarHBondContact O-CD2 3.22Å; K588-F592 WeakPolarHBondContact O-CG 3.31Å; K588-F592 PolarHBondContact O-N 3.45Å |
| 589 | V | 88.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -41.8 | -179.2 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | M151 M155 L577 A580 Y581 Y586 T593 | M151-V589 HydrophobicContact CE-CB 4.06Å; M151-V589 HydrophobicContact CE-CG2 4.27Å; M151-V589 HydrophobicContact CG-CB 4.32Å; M151-V589 HydrophobicContact CG-CG1 3.86Å; M151-V589 HydrophobicContact CG-CG2 4.44Å; M151-V589 HydrophobicContact SD-CB 4.05Å; M151-V589 HydrophobicContact SD-CG1 3.88Å; M155-V589 HydrophobicContact CG-CG1 4.31Å; M155-V589 HydrophobicContact SD-CG1 4.12Å; L577-V589 HydrophobicContact CD1-CB 4.44Å; L577-V589 HydrophobicContact CD1-CG1 3.91Å; A580-V589 HydrophobicContact CB-CG2 3.95Å; Y581-V589 HydrophobicContact CD2-CG1 4.47Å; Y581-V589 HydrophobicContact CD2-CG2 4.13Å; Y581-V589 HydrophobicContact CE2-CB 4.4Å; Y581-V589 HydrophobicContact CE2-CG1 3.51Å; Y581-V589 HydrophobicContact CE2-CG2 3.93Å; Y581-V589 WeakPolarHBondContact OH-CG1 3.46Å; Y586-V589 WeakPolarHBondContact O-CB 3.36Å; Y586-V589 PolarHBondContact O-N 3.49Å; Y586-V589 VanDerWaalsContact O-N 3.1Å; V589-T593 WeakPolarHBondContact O-CB 3.35Å; V589-T593 PolarHBondContact O-N 3.27Å; V589-T593 PolarHBondContact O-OG1 2.97Å |
| 590 | R | 86.9 | Confident | 87.6 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -50.3 | 178.2 | -173.6 | -176.6 | -173.8 | -153.5 | -0.6 | 111.4 | E158 K588 F592 T593 Q594 | E158-R590 VanDerWaalsContact CD-NE 3.27Å; E158-R590 IonicContact OE1-CZ 3.71Å; E158-R590 IonicContact OE1-NE 3.69Å; E158-R590 PolarHBondContact OE1-NE 3.03Å; E158-R590 IonicContact OE1-NH2 3.8Å; E158-R590 PolarHBondContact OE1-NH2 3.07Å; E158-R590 IonicContact OE2-CZ 2.86Å; E158-R590 IonicContact OE2-NE 2.77Å; E158-R590 PolarHBondContact OE2-NE 3.11Å; E158-R590 IonicContact OE2-NH2 3.18Å; E158-R590 PolarHBondContact OE2-NH2 3Å; K588-R590 VanDerWaalsContact C-N 3.27Å; K588-R590 PolarHBondContact O-N 3.12Å; R590-F592 VanDerWaalsContact C-N 3.34Å; R590-F592 PolarHBondContact O-N 3.01Å; R590-T593 PolarHBondContact O-N 2.84Å; R590-T593 VanDerWaalsContact O-N 3.17Å; R590-Q594 WeakPolarHBondContact O-CG 3.48Å; R590-Q594 PolarHBondContact O-N 3.44Å |
| 591 | E | 87.5 | Confident | 87.8 | Confident | 97 Ų | 97 | 54 Ų | 54 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.4 | -47.8 | 177.6 | -66.9 | 177 | -154.3 | 0 | 0 | 110.8 | K588 T593 Q594 F595 | K588-E591 VanDerWaalsContact CD-OE2 3.23Å; K588-E591 WeakPolarHBondContact CD-OE2 3.46Å; K588-E591 IonicContact NZ-OE1 3.52Å; K588-E591 PolarHBondContact NZ-OE1 2.82Å; K588-E591 IonicContact NZ-OE2 3.45Å; K588-E591 PolarHBondContact NZ-OE2 3.47Å; K588-E591 PolarHBondContact O-N 2.85Å; E591-T593 VanDerWaalsContact C-N 3.35Å; E591-T593 PolarHBondContact O-N 2.64Å; E591-Q594 PolarHBondContact O-N 2.75Å; E591-F595 VanDerWaalsContact O-CB 3.23Å; E591-F595 WeakPolarHBondContact O-CB 3.47Å; E591-F595 PolarHBondContact O-N 3.27Å |
| 592 | F | 89.8 | Confident | 88.1 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 26% | 0.263 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.1 | -70.1 | -43.2 | 0 | 0 | 0 | 112.5 | F576 L577 A580 K588 R590 F595 I596 | F576-F592 HydrophobicContact CB-CE1 4.37Å; F576-F592 HydrophobicContact CB-CZ 4.41Å; L577-F592 HydrophobicContact CB-CB 4.3Å; L577-F592 HydrophobicContact CD1-CB 3.92Å; A580-F592 HydrophobicContact CB-CD2 3.88Å; A580-F592 HydrophobicContact CB-CE2 3.93Å; K588-F592 HydrophobicContact CB-CD2 3.96Å; K588-F592 HydrophobicContact CB-CE2 3.62Å; K588-F592 HydrophobicContact CB-CZ 4.26Å; K588-F592 WeakPolarHBondContact O-CB 3.3Å; K588-F592 WeakPolarHBondContact O-CD2 3.22Å; K588-F592 WeakPolarHBondContact O-CG 3.31Å; K588-F592 PolarHBondContact O-N 3.45Å; R590-F592 VanDerWaalsContact C-N 3.34Å; R590-F592 PolarHBondContact O-N 3.01Å; F592-F595 PolarHBondContact O-N 2.8Å; F592-I596 WeakPolarHBondContact O-CD1 3.42Å; F592-I596 WeakPolarHBondContact O-CG1 3.14Å; F592-I596 PolarHBondContact O-N 3.12Å |
| 593 | T | 88.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | F126 M155 V589 R590 E591 F595 I596 S597 | F126-T593 HydrophobicContact CE1-CG2 4.47Å; F126-T593 HydrophobicContact CZ-CG2 3.94Å; M155-T593 HydrophobicContact CE-CG2 3.52Å; M155-T593 VanDerWaalsContact CE-OG1 3.31Å; M155-T593 WeakPolarHBondContact CE-OG1 3.34Å; V589-T593 WeakPolarHBondContact O-CB 3.35Å; V589-T593 PolarHBondContact O-N 3.27Å; V589-T593 PolarHBondContact O-OG1 2.97Å; R590-T593 PolarHBondContact O-N 2.84Å; R590-T593 VanDerWaalsContact O-N 3.17Å; E591-T593 VanDerWaalsContact C-N 3.35Å; E591-T593 PolarHBondContact O-N 2.64Å; T593-F595 VanDerWaalsContact C-N 3.34Å; T593-I596 PolarHBondContact O-N 3.37Å; T593-S597 PolarHBondContact O-N 3.26Å; T593-S597 VanDerWaalsContact O-N 3.08Å |
| 594 | Q | 87.7 | Confident | 88.8 | Confident | 98 Ų | 98 | 38.9 Ų | 38.9 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.2 | -72 | 176.7 | -12.6 | 0 | 0 | 110.9 | R590 E591 S597 Q598 | R590-Q594 WeakPolarHBondContact O-CG 3.48Å; R590-Q594 PolarHBondContact O-N 3.44Å; E591-Q594 PolarHBondContact O-N 2.75Å; Q594-S597 WeakPolarHBondContact O-CB 3.13Å; Q594-S597 PolarHBondContact O-N 2.91Å; Q594-Q598 PolarHBondContact O-N 3.37Å |
| 595 | F | 90.1 | Very high | 89.1 | Confident | 66 Ų | 66 | 37.5 Ų | 37.5 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 178.4 | -176.6 | -115.7 | 0 | 0 | 0 | 112.6 | L520 A573 E591 F592 T593 S597 Q598 L599 | L520-F595 HydrophobicContact CD2-CE1 4.31Å; L520-F595 HydrophobicContact CD2-CE2 4.38Å; L520-F595 HydrophobicContact CD2-CZ 3.5Å; A573-F595 HydrophobicContact CB-CD1 4.37Å; A573-F595 HydrophobicContact CB-CE1 4.45Å; E591-F595 VanDerWaalsContact O-CB 3.23Å; E591-F595 WeakPolarHBondContact O-CB 3.47Å; E591-F595 PolarHBondContact O-N 3.27Å; F592-F595 PolarHBondContact O-N 2.8Å; T593-F595 VanDerWaalsContact C-N 3.34Å; F595-S597 VanDerWaalsContact C-N 3.3Å; F595-S597 PolarHBondContact O-N 3.43Å; F595-Q598 WeakPolarHBondContact O-CB 3.31Å; F595-Q598 PolarHBondContact O-N 2.92Å; F595-Q598 VanDerWaalsContact O-N 3.16Å; F595-L599 HydrophobicContact CD1-CD1 3.89Å; F595-L599 HydrophobicContact CD1-CG 4.27Å; F595-L599 HydrophobicContact CE1-CD1 3.43Å; F595-L599 VanDerWaalsContact CE1-CD1 3.43Å; F595-L599 HydrophobicContact CE1-CD2 4.23Å; F595-L599 HydrophobicContact CE1-CG 3.85Å; F595-L599 HydrophobicContact CE2-CD2 4.14Å; F595-L599 HydrophobicContact CE2-CG 4.11Å; F595-L599 HydrophobicContact CZ-CD1 3.8Å; F595-L599 HydrophobicContact CZ-CD2 3.7Å; F595-L599 HydrophobicContact CZ-CG 3.74Å; F595-L599 WeakPolarHBondContact O-CG 3.44Å; F595-L599 PolarHBondContact O-N 3.36Å |
| 596 | I | 89.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 174.6 | -63.6 | 156.7 | 0 | 0 | 0 | 110.8 | V570 A573 E574 L577 F592 T593 Q598 L599 H600 | V570-I596 HydrophobicContact CG1-CG2 4.42Å; A573-I596 HydrophobicContact CB-CD1 4.43Å; A573-I596 HydrophobicContact CB-CG1 3.56Å; E574-I596 HydrophobicContact CG-CD1 4.06Å; E574-I596 HydrophobicContact CG-CG1 4.48Å; E574-I596 HydrophobicContact CG-CG2 4.08Å; L577-I596 HydrophobicContact CB-CD1 3.85Å; L577-I596 HydrophobicContact CD2-CD1 3.76Å; L577-I596 HydrophobicContact CG-CD1 4.36Å; F592-I596 WeakPolarHBondContact O-CD1 3.42Å; F592-I596 WeakPolarHBondContact O-CG1 3.14Å; F592-I596 PolarHBondContact O-N 3.12Å; T593-I596 PolarHBondContact O-N 3.37Å; I596-Q598 VanDerWaalsContact C-N 3.31Å; I596-Q598 PolarHBondContact O-N 2.94Å; I596-L599 PolarHBondContact O-N 2.79Å; I596-H600 WeakPolarHBondContact O-CB 3.4Å; I596-H600 PolarHBondContact O-N 3.48Å |
| 597 | S | 87 | Confident | 89.6 | Confident | 58 Ų | 58 | 35.9 Ų | 35.9 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.7 | -41 | 174.8 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | T593 Q594 F595 N601 | T593-S597 PolarHBondContact O-N 3.26Å; T593-S597 VanDerWaalsContact O-N 3.08Å; Q594-S597 WeakPolarHBondContact O-CB 3.13Å; Q594-S597 PolarHBondContact O-N 2.91Å; F595-S597 VanDerWaalsContact C-N 3.3Å; F595-S597 PolarHBondContact O-N 3.43Å; S597-N601 PolarHBondContact O-N 3.17Å |
| 598 | Q | 89.8 | Confident | 90 | Very high | 79 Ų | 79 | 34.9 Ų | 34.9 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 175.4 | -179 | 174.6 | 10.1 | 0 | 0 | 111.3 | Q594 F595 I596 H600 N601 A602 V649 | Q594-Q598 PolarHBondContact O-N 3.37Å; F595-Q598 WeakPolarHBondContact O-CB 3.31Å; F595-Q598 PolarHBondContact O-N 2.92Å; F595-Q598 VanDerWaalsContact O-N 3.16Å; I596-Q598 VanDerWaalsContact C-N 3.31Å; I596-Q598 PolarHBondContact O-N 2.94Å; Q598-H600 VanDerWaalsContact C-N 3.33Å; Q598-H600 PolarHBondContact O-N 2.88Å; Q598-N601 CarbonylContact O-C 3.17Å; Q598-N601 PolarHBondContact O-N 3.48Å; Q598-A602 WeakPolarHBondContact O-CA 3.27Å; Q598-A602 PolarHBondContact O-N 2.92Å; Q598-V649 HydrophobicContact CG-CB 4.48Å; Q598-V649 HydrophobicContact CG-CG1 4.02Å |
| 599 | L | 88.7 | Confident | 90.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 177.1 | -74.9 | 178.6 | 0 | 0 | 0 | 112.7 | L523 M569 V570 A573 F595 I596 N601 A602 F605 | L523-L599 HydrophobicContact CD1-CD2 3.37Å; L523-L599 HydrophobicContact CD2-CD2 4.1Å; L523-L599 HydrophobicContact CG-CD2 4.32Å; M569-L599 HydrophobicContact CE-CD2 4.02Å; V570-L599 HydrophobicContact CG2-CB 4.08Å; A573-L599 HydrophobicContact CB-CD1 3.68Å; F595-L599 HydrophobicContact CD1-CD1 3.89Å; F595-L599 HydrophobicContact CD1-CG 4.27Å; F595-L599 HydrophobicContact CE1-CD1 3.43Å; F595-L599 VanDerWaalsContact CE1-CD1 3.43Å; F595-L599 HydrophobicContact CE1-CD2 4.23Å; F595-L599 HydrophobicContact CE1-CG 3.85Å; F595-L599 HydrophobicContact CE2-CD2 4.14Å; F595-L599 HydrophobicContact CE2-CG 4.11Å; F595-L599 HydrophobicContact CZ-CD1 3.8Å; F595-L599 HydrophobicContact CZ-CD2 3.7Å; F595-L599 HydrophobicContact CZ-CG 3.74Å; F595-L599 WeakPolarHBondContact O-CG 3.44Å; F595-L599 PolarHBondContact O-N 3.36Å; I596-L599 PolarHBondContact O-N 2.79Å; L599-N601 PolarHBondContact O-N 3.08Å; L599-A602 PolarHBondContact O-N 3.33Å; L599-F605 HydrophobicContact CD2-CE2 4.31Å; L599-F605 WeakPolarHBondContact O-CD2 3.14Å |
| 600 | H | 86.1 | Confident | 90.4 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 28% | 0.278 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.4 | -30.8 | -179.1 | -177.4 | -87.5 | 0 | 0 | 0 | 112.2 | I596 Q598 Q644 | I596-H600 WeakPolarHBondContact O-CB 3.4Å; I596-H600 PolarHBondContact O-N 3.48Å; Q598-H600 VanDerWaalsContact C-N 3.33Å; Q598-H600 PolarHBondContact O-N 2.88Å; H600-Q644 VanDerWaalsContact CE1-CD 3.45Å; H600-Q644 PolarHBondContact CE1-NE2 3Å; H600-Q644 PolarHBondContact NE2-NE2 3.17Å; H600-Q644 VanDerWaalsContact NE2-NE2 3.11Å |
| 601 | N | 90.7 | Very high | 90.7 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 15.3 | -176.6 | -61.3 | -17 | 0 | 0 | 0 | 113.3 | S597 Q598 L599 D603 T647 I648 V649 | S597-N601 PolarHBondContact O-N 3.17Å; Q598-N601 CarbonylContact O-C 3.17Å; Q598-N601 PolarHBondContact O-N 3.48Å; L599-N601 PolarHBondContact O-N 3.08Å; N601-D603 PolarHBondContact O-N 2.89Å; N601-T647 VanDerWaalsContact CB-O 3.24Å; N601-T647 WeakPolarHBondContact CB-O 3.34Å; N601-T647 WeakPolarHBondContact ND2-CB 3.36Å; N601-T647 PolarHBondContact ND2-O 3.48Å; N601-T647 PolarHBondContact ND2-OG1 3.43Å; N601-I648 WeakPolarHBondContact O-CA 3.45Å; N601-V649 HydrophobicContact CB-CG2 4.1Å; N601-V649 PolarHBondContact O-N 3.5Å |
| 602 | A | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -64.2 | 131.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L523 Q598 L599 V604 F605 L606 | L523-A602 HydrophobicContact CD2-CB 3.49Å; L523-A602 VanDerWaalsContact CD2-CB 3.49Å; Q598-A602 WeakPolarHBondContact O-CA 3.27Å; Q598-A602 PolarHBondContact O-N 2.92Å; L599-A602 PolarHBondContact O-N 3.33Å; A602-V604 PolarHBondContact O-N 3.32Å; A602-F605 HydrophobicContact CB-CB 4.49Å; A602-F605 HydrophobicContact CB-CD2 3.84Å; A602-F605 HydrophobicContact CB-CE2 4.39Å; A602-F605 HydrophobicContact CB-CG 4.28Å; A602-F605 PolarHBondContact O-N 2.78Å; A602-L606 PolarHBondContact O-N 3.4Å |
| 603 | D | 93.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.1 | -47.3 | -177 | 65.8 | -36 | 0 | 0 | 0 | 113.9 | N601 F605 L606 T607 I648 V649 C651 R652 F673 L676 | N601-D603 PolarHBondContact O-N 2.89Å; D603-F605 VanDerWaalsContact C-N 3.32Å; D603-F605 PolarHBondContact O-N 3.07Å; D603-L606 PolarHBondContact O-N 2.95Å; D603-T607 VanDerWaalsContact O-CB 3.32Å; D603-T607 WeakPolarHBondContact O-CB 3.49Å; D603-T607 PolarHBondContact O-N 3.37Å; D603-T607 PolarHBondContact O-OG1 3.04Å; D603-I648 HydrophobicContact CB-CD1 3.98Å; D603-I648 HydrophobicContact CB-CG1 3.98Å; D603-V649 WeakPolarHBondContact CB-O 3.47Å; D603-V649 PolarHBondContact N-O 2.8Å; D603-V649 VanDerWaalsContact N-O 3.14Å; D603-C651 PolarHBondContact OD1-N 3.44Å; D603-R652 WeakPolarHBondContact OD2-CD 3.41Å; D603-R652 VanDerWaalsContact OD2-CG 3.26Å; D603-R652 WeakPolarHBondContact OD2-CG 3.43Å; D603-R652 IonicContact OD2-NE 2.9Å; D603-F673 HydrophobicContact CB-CE2 3.96Å; D603-L676 HydrophobicContact CB-CD2 3.96Å |
| 604 | V | 93.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 179 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | V530 A602 T607 V608 | V530-V604 HydrophobicContact CB-CG1 4.24Å; V530-V604 HydrophobicContact CG1-CG1 4.47Å; V530-V604 HydrophobicContact CG2-CG1 4.09Å; A602-V604 PolarHBondContact O-N 3.32Å; V604-T607 PolarHBondContact O-N 3.08Å; V604-V608 WeakPolarHBondContact O-CG2 3.4Å; V604-V608 PolarHBondContact O-N 3.43Å |
| 605 | F | 92.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.3 | -40.5 | -178.6 | -64.8 | -20.4 | 0 | 0 | 0 | 112.5 | L523 I562 S566 M569 L599 A602 D603 R609 | L523-F605 HydrophobicContact CD2-CD2 4.09Å; L523-F605 HydrophobicContact CD2-CE1 4.19Å; L523-F605 HydrophobicContact CD2-CE2 3.49Å; L523-F605 VanDerWaalsContact CD2-CE2 3.49Å; L523-F605 HydrophobicContact CD2-CZ 3.54Å; L523-F605 HydrophobicContact CG-CE2 4.41Å; L523-F605 HydrophobicContact CG-CZ 4.09Å; I562-F605 HydrophobicContact CG2-CD1 3.77Å; I562-F605 HydrophobicContact CG2-CE1 4.01Å; S566-F605 WeakPolarHBondContact OG-CD2 3.18Å; S566-F605 WeakPolarHBondContact OG-CG 3.39Å; M569-F605 HydrophobicContact CE-CZ 4.45Å; M569-F605 HydrophobicContact SD-CZ 3.89Å; L599-F605 HydrophobicContact CD2-CE2 4.31Å; L599-F605 WeakPolarHBondContact O-CD2 3.14Å; A602-F605 HydrophobicContact CB-CB 4.49Å; A602-F605 HydrophobicContact CB-CD2 3.84Å; A602-F605 HydrophobicContact CB-CE2 4.39Å; A602-F605 HydrophobicContact CB-CG 4.28Å; A602-F605 PolarHBondContact O-N 2.78Å; D603-F605 VanDerWaalsContact C-N 3.32Å; D603-F605 PolarHBondContact O-N 3.07Å; F605-R609 WeakPolarHBondContact O-CB 3.44Å; F605-R609 VanDerWaalsContact O-CG 3.26Å; F605-R609 WeakPolarHBondContact O-CG 3.4Å; F605-R609 PolarHBondContact O-N 3.48Å; F605-R609 VanDerWaalsContact O-N 3.14Å |
| 606 | L | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 174.9 | -67 | 179.5 | 0 | 0 | 0 | 111 | A602 D603 R609 I610 Q644 I648 | A602-L606 PolarHBondContact O-N 3.4Å; D603-L606 PolarHBondContact O-N 2.95Å; L606-R609 PolarHBondContact O-N 2.88Å; L606-I610 WeakPolarHBondContact O-CB 3.29Å; L606-I610 VanDerWaalsContact O-CG1 3.28Å; L606-I610 WeakPolarHBondContact O-CG1 3.38Å; L606-I610 PolarHBondContact O-N 2.82Å; L606-Q644 HydrophobicContact CD1-CB 4.41Å; L606-Q644 HydrophobicContact CD2-CB 4.02Å; L606-I648 HydrophobicContact CB-CD1 4.47Å; L606-I648 HydrophobicContact CD1-CB 4.03Å; L606-I648 HydrophobicContact CD1-CD1 4Å; L606-I648 HydrophobicContact CD1-CG1 3.88Å |
| 607 | T | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 179 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | V530 D603 V604 R609 I610 E611 L676 L680 | V530-T607 HydrophobicContact CG1-CG2 3.49Å; V530-T607 VanDerWaalsContact CG1-CG2 3.49Å; D603-T607 VanDerWaalsContact O-CB 3.32Å; D603-T607 WeakPolarHBondContact O-CB 3.49Å; D603-T607 PolarHBondContact O-N 3.37Å; D603-T607 PolarHBondContact O-OG1 3.04Å; V604-T607 PolarHBondContact O-N 3.08Å; T607-R609 VanDerWaalsContact C-N 3.35Å; T607-R609 PolarHBondContact O-N 3.12Å; T607-I610 PolarHBondContact O-N 3.31Å; T607-E611 HydrophobicContact CG2-CG 4.45Å; T607-E611 WeakPolarHBondContact O-CB 3.38Å; T607-E611 WeakPolarHBondContact O-CG 3.44Å; T607-E611 PolarHBondContact O-N 3.42Å; T607-L676 HydrophobicContact CG2-CD1 4.13Å; T607-L680 HydrophobicContact CG2-CD2 3.99Å |
| 608 | V | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 177.7 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | V530 Y559 I562 T563 V604 M612 | V530-V608 HydrophobicContact CB-CG2 4.43Å; V530-V608 HydrophobicContact CG1-CG2 3.84Å; V530-V608 HydrophobicContact CG2-CG2 3.68Å; Y559-V608 HydrophobicContact CD1-CB 4.13Å; Y559-V608 HydrophobicContact CD1-CG1 3.73Å; Y559-V608 HydrophobicContact CD1-CG2 4.03Å; Y559-V608 HydrophobicContact CE1-CB 4.49Å; Y559-V608 HydrophobicContact CE1-CG2 4.11Å; Y559-V608 HydrophobicContact CG-CG1 3.93Å; Y559-V608 HydrophobicContact CG-CG2 4.32Å; Y559-V608 VanDerWaalsContact O-CG1 3.23Å; Y559-V608 WeakPolarHBondContact O-CG1 3.34Å; I562-V608 HydrophobicContact CB-CG1 4.28Å; I562-V608 HydrophobicContact CB-CG2 4.38Å; I562-V608 HydrophobicContact CD1-CG2 4.28Å; I562-V608 HydrophobicContact CG2-CB 4.3Å; I562-V608 HydrophobicContact CG2-CG1 4.29Å; I562-V608 HydrophobicContact CG2-CG2 3.96Å; T563-V608 WeakPolarHBondContact OG1-CG1 3.23Å; V604-V608 WeakPolarHBondContact O-CG2 3.4Å; V604-V608 PolarHBondContact O-N 3.43Å; V608-M612 HydrophobicContact CG1-CG 4.39Å; V608-M612 HydrophobicContact CG1-SD 4.13Å; V608-M612 VanDerWaalsContact O-CB 3.31Å; V608-M612 WeakPolarHBondContact O-CB 3.41Å; V608-M612 VanDerWaalsContact O-CG 3.26Å; V608-M612 WeakPolarHBondContact O-CG 3.39Å; V608-M612 PolarHBondContact O-N 3.08Å |
| 609 | R | 92.3 | Very high | 92.2 | Very high | 33 Ų | 33 | 12.9 Ų | 12.9 | 13% | 0.125 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 179.2 | -74.9 | 172.1 | 178.2 | 157.6 | 0.1 | 111.9 | T563 S566 N567 F605 L606 T607 L613 V641 | T563-R609 HydrophobicContact CG2-CG 4.36Å; S566-R609 PolarHBondContact OG-NH2 3.16Å; N567-R609 PolarHBondContact OD1-NH2 3.23Å; F605-R609 WeakPolarHBondContact O-CB 3.44Å; F605-R609 VanDerWaalsContact O-CG 3.26Å; F605-R609 WeakPolarHBondContact O-CG 3.4Å; F605-R609 PolarHBondContact O-N 3.48Å; F605-R609 VanDerWaalsContact O-N 3.14Å; L606-R609 PolarHBondContact O-N 2.88Å; T607-R609 VanDerWaalsContact C-N 3.35Å; T607-R609 PolarHBondContact O-N 3.12Å; R609-L613 WeakPolarHBondContact O-CB 3.4Å; R609-L613 VanDerWaalsContact O-CG 3.25Å; R609-L613 WeakPolarHBondContact O-CG 3.11Å; R609-L613 PolarHBondContact O-N 3.24Å; R609-V641 HydrophobicContact CB-CG2 4.38Å |
| 610 | I | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.6 | -49 | 179.6 | -71.5 | 169.4 | 0 | 0 | 0 | 110.8 | L606 T607 M612 L613 H614 V641 L680 R683 C684 | L606-I610 WeakPolarHBondContact O-CB 3.29Å; L606-I610 VanDerWaalsContact O-CG1 3.28Å; L606-I610 WeakPolarHBondContact O-CG1 3.38Å; L606-I610 PolarHBondContact O-N 2.82Å; T607-I610 PolarHBondContact O-N 3.31Å; I610-M612 VanDerWaalsContact C-N 3.32Å; I610-M612 PolarHBondContact O-N 2.97Å; I610-L613 PolarHBondContact O-N 3.33Å; I610-H614 WeakPolarHBondContact O-CB 3.4Å; I610-H614 PolarHBondContact O-N 2.87Å; I610-V641 HydrophobicContact CD1-CG1 3.45Å; I610-V641 VanDerWaalsContact CD1-CG1 3.45Å; I610-V641 HydrophobicContact CG1-CG1 3.3Å; I610-L680 HydrophobicContact CB-CD2 4.27Å; I610-L680 HydrophobicContact CD1-CB 3.95Å; I610-L680 HydrophobicContact CD1-CD1 4.25Å; I610-L680 HydrophobicContact CD1-CD2 3.81Å; I610-L680 HydrophobicContact CD1-CG 4.19Å; I610-L680 HydrophobicContact CG2-CD2 4.33Å; I610-R683 HydrophobicContact CG2-CB 3.26Å; I610-R683 HydrophobicContact CG2-CG 3.99Å; I610-C684 VanDerWaalsContact CD1-SG 3.51Å |
| 611 | E | 93.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 179.2 | -74.6 | -60 | 133.4 | 0 | 0 | 111.4 | L536 Y559 T607 H614 W615 W679 R683 | L536-E611 HydrophobicContact CD1-CB 4.03Å; Y559-E611 HydrophobicContact CD1-CB 4.46Å; Y559-E611 HydrophobicContact CE1-CB 3.95Å; T607-E611 HydrophobicContact CG2-CG 4.45Å; T607-E611 WeakPolarHBondContact O-CB 3.38Å; T607-E611 WeakPolarHBondContact O-CG 3.44Å; T607-E611 PolarHBondContact O-N 3.42Å; E611-H614 PolarHBondContact O-N 3.31Å; E611-W615 VanDerWaalsContact O-CB 3.31Å; E611-W615 WeakPolarHBondContact O-CB 3.24Å; E611-W615 PolarHBondContact O-N 2.83Å; E611-W679 PolarHBondContact OE1-NE1 3.27Å; E611-R683 WeakPolarHBondContact OE1-CG 3.39Å; E611-R683 IonicContact OE1-CZ 3.47Å; E611-R683 IonicContact OE1-NE 3.96Å; E611-R683 PolarHBondContact OE1-NE 3.48Å; E611-R683 IonicContact OE1-NH2 2.64Å; E611-R683 IonicContact OE2-CZ 3.5Å; E611-R683 IonicContact OE2-NE 3.7Å; E611-R683 IonicContact OE2-NH2 2.62Å; E611-R683 PolarHBondContact OE2-NH2 3.47Å; E611-R683 VanDerWaalsContact OE2-NH2 3.08Å |
| 612 | M | 92.4 | Very high | 92.1 | Very high | 31 Ų | 31 | 13.4 Ų | 13.4 | 15% | 0.153 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.8 | -78.8 | -171.1 | 71 | 0 | 0 | 112.4 | L536 Y559 Q560 T563 V608 I610 Q616 | L536-M612 HydrophobicContact CD1-CG 4.27Å; Y559-M612 VanDerWaalsContact C-SD 3.56Å; Y559-M612 HydrophobicContact CD1-CG 4.12Å; Q560-M612 HydrophobicContact CB-CE 4.41Å; Q560-M612 HydrophobicContact CG-CE 3.55Å; Q560-M612 HydrophobicContact CG-SD 4.5Å; T563-M612 PolarHBondContact OG1-SD 3.18Å; V608-M612 HydrophobicContact CG1-CG 4.39Å; V608-M612 HydrophobicContact CG1-SD 4.13Å; V608-M612 VanDerWaalsContact O-CB 3.31Å; V608-M612 WeakPolarHBondContact O-CB 3.41Å; V608-M612 VanDerWaalsContact O-CG 3.26Å; V608-M612 WeakPolarHBondContact O-CG 3.39Å; V608-M612 PolarHBondContact O-N 3.08Å; I610-M612 VanDerWaalsContact C-N 3.32Å; I610-M612 PolarHBondContact O-N 2.97Å; M612-Q616 WeakPolarHBondContact O-CB 3.24Å; M612-Q616 PolarHBondContact O-N 3.25Å |
| 613 | L | 92.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 6% | 0.063 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 177.2 | -73.5 | 168.3 | 0 | 0 | 0 | 111.6 | R609 I610 Q616 L617 A634 I638 L687 | R609-L613 WeakPolarHBondContact O-CB 3.4Å; R609-L613 VanDerWaalsContact O-CG 3.25Å; R609-L613 WeakPolarHBondContact O-CG 3.11Å; R609-L613 PolarHBondContact O-N 3.24Å; I610-L613 PolarHBondContact O-N 3.33Å; L613-Q616 PolarHBondContact O-N 3.17Å; L613-L617 VanDerWaalsContact O-CB 3.29Å; L613-L617 WeakPolarHBondContact O-CB 3.15Å; L613-L617 WeakPolarHBondContact O-CG 3.11Å; L613-L617 PolarHBondContact O-N 3.35Å; L613-A634 HydrophobicContact CD2-CB 4.01Å; L613-I638 HydrophobicContact CD1-CG1 4Å; L613-L687 HydrophobicContact CB-CD1 3.8Å; L613-L687 HydrophobicContact CB-CD2 4.49Å |
| 614 | H | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 176.4 | 175.2 | -82.8 | 0 | 0 | 0 | 111.3 | I610 E611 Q616 L617 I618 V619 R683 Y787 E885 | I610-H614 WeakPolarHBondContact O-CB 3.4Å; I610-H614 PolarHBondContact O-N 2.87Å; E611-H614 PolarHBondContact O-N 3.31Å; H614-Q616 VanDerWaalsContact C-N 3.34Å; H614-Q616 PolarHBondContact O-N 3.43Å; H614-L617 PolarHBondContact O-N 2.9Å; H614-I618 VanDerWaalsContact CD2-CD1 3.48Å; H614-I618 WeakPolarHBondContact CD2-CD1 3.37Å; H614-I618 WeakPolarHBondContact O-CB 3.17Å; H614-I618 PolarHBondContact O-N 2.72Å; H614-V619 PolarHBondContact O-N 3.17Å; H614-R683 VanDerWaalsContact CE1-CZ 3.49Å; H614-R683 PolarHBondContact CE1-NH1 2.89Å; H614-R683 PolarHBondContact NE2-NH1 3.49Å; H614-R683 VanDerWaalsContact NE2-NH1 3.1Å; H614-Y787 PolarHBondContact CD2-OH 3.48Å; H614-Y787 AromaticContact NE2-CZ 3.8Å; H614-Y787 PolarHBondContact NE2-OH 3.35Å; H614-E885 IonicContact CE1-OE1 2.61Å; H614-E885 IonicContact CE1-OE2 2.92Å; H614-E885 IonicContact ND1-OE1 2.74Å |
| 615 | W | 92.9 | Very high | 91.3 | Very high | 35 Ų | 35 | 19.1 Ų | 19.1 | 13% | 0.133 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -59.8 | -46.6 | 177.3 | 179.9 | 86.3 | 0 | 0 | 0 | 111.4 | L536 T540 H556 E611 V619 S620 | L536-W615 HydrophobicContact CB-CB 4.12Å; L536-W615 HydrophobicContact CB-CG 4.03Å; L536-W615 HydrophobicContact CD1-CB 3.89Å; L536-W615 HydrophobicContact CD1-CG 4.37Å; T540-W615 VanDerWaalsContact OG1-CE2 3.25Å; T540-W615 PolarHBondContact OG1-NE1 2.81Å; H556-W615 AromaticContact CE1-CE3 3.66Å; H556-W615 AromaticContact CE1-CH2 3.77Å; H556-W615 AromaticContact CE1-CZ3 3.28Å; H556-W615 WeakPolarHBondContact CE1-CZ3 3.26Å; H556-W615 AromaticContact ND1-CZ3 3.89Å; E611-W615 VanDerWaalsContact O-CB 3.31Å; E611-W615 WeakPolarHBondContact O-CB 3.24Å; E611-W615 PolarHBondContact O-N 2.83Å; W615-V619 HydrophobicContact CG-CB 4.35Å; W615-V619 PolarHBondContact O-N 3.02Å; W615-S620 PolarHBondContact O-N 3.19Å; W615-S620 PolarHBondContact O-OG 3.08Å |
| 616 | Q | 91.1 | Very high | 91 | Very high | 71 Ų | 71 | 21.1 Ų | 21.1 | 33% | 0.332 | 11% | 0.105 | S | C | . | . | I | π-helix | trans | -65.8 | -39 | -178.1 | -179.2 | 178.7 | -2.2 | 0 | 0 | 112.9 | M612 L613 H614 S620 Q621 | M612-Q616 WeakPolarHBondContact O-CB 3.24Å; M612-Q616 PolarHBondContact O-N 3.25Å; L613-Q616 PolarHBondContact O-N 3.17Å; H614-Q616 VanDerWaalsContact C-N 3.34Å; H614-Q616 PolarHBondContact O-N 3.43Å; Q616-S620 WeakPolarHBondContact CA-OG 3.48Å; Q616-S620 PolarHBondContact O-OG 3.13Å; Q616-Q621 WeakPolarHBondContact O-CG 3.31Å; Q616-Q621 PolarHBondContact O-NE2 3.35Å |
| 617 | L | 92.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -96.6 | -20.8 | -172.7 | -64.6 | 177.3 | 0 | 0 | 0 | 114.1 | L613 H614 Q621 L627 Q630 L631 A634 I638 L687 | L613-L617 VanDerWaalsContact O-CB 3.29Å; L613-L617 WeakPolarHBondContact O-CB 3.15Å; L613-L617 WeakPolarHBondContact O-CG 3.11Å; L613-L617 PolarHBondContact O-N 3.35Å; H614-L617 PolarHBondContact O-N 2.9Å; L617-Q621 VanDerWaalsContact C-CG 3.49Å; L617-Q621 WeakPolarHBondContact O-CG 3.45Å; L617-L627 HydrophobicContact CB-CD1 4.08Å; L617-L627 HydrophobicContact CD2-CD1 3.91Å; L617-L627 WeakPolarHBondContact O-CD1 3.35Å; L617-Q630 HydrophobicContact CD2-CB 4.12Å; L617-L631 HydrophobicContact CD1-CD1 4.42Å; L617-A634 HydrophobicContact CD1-CB 3.77Å; L617-A634 HydrophobicContact CD2-CB 3.98Å; L617-A634 HydrophobicContact CG-CB 4.29Å; L617-I638 HydrophobicContact CD1-CD1 3.73Å; L617-L687 HydrophobicContact CB-CD2 4.25Å; L617-L687 HydrophobicContact CD1-CD2 3.89Å |
| 618 | I | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -118.8 | -53.5 | -174.3 | -62.3 | 162.9 | 0 | 0 | 0 | 110.6 | H614 T686 L687 I690 L889 L892 | H614-I618 VanDerWaalsContact CD2-CD1 3.48Å; H614-I618 WeakPolarHBondContact CD2-CD1 3.37Å; H614-I618 WeakPolarHBondContact O-CB 3.17Å; H614-I618 PolarHBondContact O-N 2.72Å; I618-T686 HydrophobicContact CD1-CG2 3.52Å; I618-L687 HydrophobicContact CD1-CD2 4.08Å; I618-I690 HydrophobicContact CD1-CG1 4.42Å; I618-I690 HydrophobicContact CG1-CG1 4.4Å; I618-L889 HydrophobicContact CG2-CB 4.06Å; I618-L889 HydrophobicContact CG2-CD1 4.05Å; I618-L892 HydrophobicContact CG1-CD2 4.34Å |
| 619 | V | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -71.4 | -51 | -173.8 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | A537 I542 H614 W615 Y884 E885 K1029 | A537-V619 HydrophobicContact CB-CG1 4.16Å; A537-V619 HydrophobicContact CB-CG2 4.38Å; I542-V619 HydrophobicContact CD1-CG1 4.12Å; I542-V619 WeakPolarHBondContact CD1-O 3.45Å; H614-V619 PolarHBondContact O-N 3.17Å; W615-V619 HydrophobicContact CG-CB 4.35Å; W615-V619 PolarHBondContact O-N 3.02Å; V619-Y884 HydrophobicContact CG1-CE1 3.86Å; V619-E885 HydrophobicContact CG2-CG 4.02Å; V619-K1029 WeakPolarHBondContact O-CE 3.19Å; V619-K1029 PolarHBondContact O-NZ 3.05Å |
| 620 | S | 89.1 | Confident | 89.6 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -78.4 | -18.7 | -175.1 | 70.1 | 0 | 0 | 0 | 0 | 115.2 | W615 Q616 H622 | W615-S620 PolarHBondContact O-N 3.19Å; W615-S620 PolarHBondContact O-OG 3.08Å; Q616-S620 WeakPolarHBondContact CA-OG 3.48Å; Q616-S620 PolarHBondContact O-OG 3.13Å; S620-H622 PolarHBondContact O-CE1 2.99Å |
| 621 | Q | 88.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | trans | -73.5 | 140.4 | -177.3 | -62.4 | -54.7 | -48 | 0 | 0 | 112.6 | Q616 L617 T626 L627 Q630 L892 K1029 | Q616-Q621 WeakPolarHBondContact O-CG 3.31Å; Q616-Q621 PolarHBondContact O-NE2 3.35Å; L617-Q621 VanDerWaalsContact C-CG 3.49Å; L617-Q621 WeakPolarHBondContact O-CG 3.45Å; Q621-T626 VanDerWaalsContact OE1-C 3.22Å; Q621-T626 PolarHBondContact OE1-O 2.9Å; Q621-T626 PolarHBondContact OE1-OG1 2.89Å; Q621-L627 HydrophobicContact CG-CB 4.4Å; Q621-L627 HydrophobicContact CG-CD1 4.14Å; Q621-Q630 VanDerWaalsContact NE2-NE2 3.12Å; Q621-L892 HydrophobicContact CB-CD1 4.29Å; Q621-K1029 PolarHBondContact O-NZ 3.37Å | ||
| 622 | H | 86.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 36.9 Ų | 36.9 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | trans | -102.7 | -31.7 | -176.7 | -60.3 | -50.3 | 0 | 0 | 0 | 113 | I542 S620 V1028 | I542-H622 VanDerWaalsContact CG2-CE1 3.42Å; I542-H622 WeakPolarHBondContact CG2-CE1 3.47Å; S620-H622 PolarHBondContact O-CE1 2.99Å; H622-V1028 VanDerWaalsContact CE1-CG1 3.43Å; H622-V1028 WeakPolarHBondContact CE1-CG1 3.27Å; H622-V1028 WeakPolarHBondContact ND1-CG1 3Å | ||
| 623 | D | 86.6 | Confident | 87.8 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -148.8 | 176.2 | 178.5 | 60.3 | 50 | 0 | 0 | 0 | 110.6 | D625 T626 L627 S895 | D623-D625 WeakPolarHBondContact OD1-CA 3.43Å; D623-D625 PolarHBondContact OD1-N 3.47Å; D623-T626 PolarHBondContact O-OG1 3.32Å; D623-T626 WeakPolarHBondContact OD1-CG2 3.47Å; D623-T626 PolarHBondContact OD1-N 3.08Å; D623-T626 PolarHBondContact OD1-OG1 3.31Å; D623-L627 PolarHBondContact O-N 3.12Å; D623-S895 WeakPolarHBondContact CA-OG 3.41Å |
| 624 | F | 88.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.3 | -31 | 179 | 178.8 | -120.7 | 0 | 0 | 0 | 113.5 | L627 L628 T694 V697 M698 S895 M896 | F624-L627 HydrophobicContact CD2-CD2 4.11Å; F624-L627 HydrophobicContact CE2-CD2 4.41Å; F624-L627 WeakPolarHBondContact O-CB 3.45Å; F624-L627 PolarHBondContact O-N 3.02Å; F624-L628 HydrophobicContact CD1-CD1 3.97Å; F624-L628 HydrophobicContact CD1-CG 4.46Å; F624-L628 HydrophobicContact CD2-CG 4.47Å; F624-L628 HydrophobicContact CE1-CD1 3.57Å; F624-L628 HydrophobicContact CE1-CD2 4.46Å; F624-L628 HydrophobicContact CE1-CG 4.08Å; F624-L628 HydrophobicContact CE2-CD1 4.49Å; F624-L628 HydrophobicContact CE2-CD2 4.24Å; F624-L628 HydrophobicContact CE2-CG 4.1Å; F624-L628 HydrophobicContact CZ-CD1 3.88Å; F624-L628 HydrophobicContact CZ-CD2 3.92Å; F624-L628 HydrophobicContact CZ-CG 3.9Å; F624-L628 WeakPolarHBondContact O-CG 3.41Å; F624-L628 PolarHBondContact O-N 3.24Å; F624-T694 HydrophobicContact CE2-CG2 3.58Å; F624-T694 HydrophobicContact CZ-CG2 3.78Å; F624-V697 HydrophobicContact CD1-CG1 4.35Å; F624-V697 HydrophobicContact CE1-CB 4.48Å; F624-V697 HydrophobicContact CE1-CG1 3.6Å; F624-V697 HydrophobicContact CE2-CG1 4.5Å; F624-V697 HydrophobicContact CZ-CB 4.06Å; F624-V697 HydrophobicContact CZ-CG1 3.67Å; F624-M698 HydrophobicContact CE1-SD 4.12Å; F624-M698 HydrophobicContact CZ-CG 4.39Å; F624-M698 HydrophobicContact CZ-SD 4.28Å; F624-S895 PolarHBondContact N-OG 3.39Å; F624-M896 HydrophobicContact CB-CG 4.24Å; F624-M896 HydrophobicContact CD2-CB 4.32Å; F624-M896 HydrophobicContact CD2-CE 4.47Å; F624-M896 HydrophobicContact CD2-CG 3.36Å; F624-M896 HydrophobicContact CD2-SD 4.44Å; F624-M896 HydrophobicContact CE2-CE 4.09Å; F624-M896 HydrophobicContact CE2-CG 3.87Å; F624-M896 HydrophobicContact CG-CG 3.98Å |
| 625 | D | 87 | Confident | 87.1 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.5 | -41.4 | -176.8 | -66.4 | -48.1 | 0 | 0 | 0 | 110.1 | D623 L627 L628 R902 | D623-D625 WeakPolarHBondContact OD1-CA 3.43Å; D623-D625 PolarHBondContact OD1-N 3.47Å; D625-L627 VanDerWaalsContact C-N 3.35Å; D625-L627 PolarHBondContact O-N 2.74Å; D625-L628 PolarHBondContact O-N 3.33Å; D625-R902 IonicContact OD1-NH1 3.59Å; D625-R902 PolarHBondContact OD1-NH1 3.29Å; D625-R902 IonicContact OD2-CZ 2.78Å; D625-R902 IonicContact OD2-NH1 3.74Å; D625-R902 PolarHBondContact OD2-NH1 2.94Å; D625-R902 IonicContact OD2-NH2 3.69Å; D625-R902 PolarHBondContact OD2-NH2 2.97Å |
| 626 | T | 85.7 | Confident | 86.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 173.3 | 65.6 | 0 | 0 | 0 | 0 | 112.5 | Q621 D623 L628 E629 | Q621-T626 VanDerWaalsContact OE1-C 3.22Å; Q621-T626 PolarHBondContact OE1-O 2.9Å; Q621-T626 PolarHBondContact OE1-OG1 2.89Å; D623-T626 PolarHBondContact O-OG1 3.32Å; D623-T626 WeakPolarHBondContact OD1-CG2 3.47Å; D623-T626 PolarHBondContact OD1-N 3.08Å; D623-T626 PolarHBondContact OD1-OG1 3.31Å; T626-L628 VanDerWaalsContact C-N 3.34Å; T626-L628 PolarHBondContact O-N 3.11Å; T626-E629 PolarHBondContact O-N 3.24Å |
| 627 | L | 88.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175 | 174.4 | 72.3 | 0 | 0 | 0 | 110.8 | L617 Q621 D623 F624 D625 E629 Q630 L631 I690 L892 | L617-L627 HydrophobicContact CB-CD1 4.08Å; L617-L627 HydrophobicContact CD2-CD1 3.91Å; L617-L627 WeakPolarHBondContact O-CD1 3.35Å; Q621-L627 HydrophobicContact CG-CB 4.4Å; Q621-L627 HydrophobicContact CG-CD1 4.14Å; D623-L627 PolarHBondContact O-N 3.12Å; F624-L627 HydrophobicContact CD2-CD2 4.11Å; F624-L627 HydrophobicContact CE2-CD2 4.41Å; F624-L627 WeakPolarHBondContact O-CB 3.45Å; F624-L627 PolarHBondContact O-N 3.02Å; D625-L627 VanDerWaalsContact C-N 3.35Å; D625-L627 PolarHBondContact O-N 2.74Å; L627-E629 PolarHBondContact O-N 3.32Å; L627-Q630 PolarHBondContact O-N 3.13Å; L627-Q630 VanDerWaalsContact O-N 3.08Å; L627-L631 WeakPolarHBondContact O-CB 3.39Å; L627-L631 PolarHBondContact O-N 3.19Å; L627-I690 HydrophobicContact CD1-CG2 4.43Å; L627-I690 HydrophobicContact CD2-CG2 3.7Å; L627-L892 HydrophobicContact CB-CD1 4.21Å; L627-L892 HydrophobicContact CD2-CD1 4.03Å; L627-L892 HydrophobicContact CD2-CD2 4.21Å; L627-L892 HydrophobicContact CD2-CG 4.41Å |
| 628 | L | 87 | Confident | 86.2 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 31% | 0.314 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.6 | -37.4 | -178.3 | -79.7 | 171 | 0 | 0 | 0 | 112.4 | F624 D625 T626 Q630 T694 M698 | F624-L628 HydrophobicContact CD1-CD1 3.97Å; F624-L628 HydrophobicContact CD1-CG 4.46Å; F624-L628 HydrophobicContact CD2-CG 4.47Å; F624-L628 HydrophobicContact CE1-CD1 3.57Å; F624-L628 HydrophobicContact CE1-CD2 4.46Å; F624-L628 HydrophobicContact CE1-CG 4.08Å; F624-L628 HydrophobicContact CE2-CD1 4.49Å; F624-L628 HydrophobicContact CE2-CD2 4.24Å; F624-L628 HydrophobicContact CE2-CG 4.1Å; F624-L628 HydrophobicContact CZ-CD1 3.88Å; F624-L628 HydrophobicContact CZ-CD2 3.92Å; F624-L628 HydrophobicContact CZ-CG 3.9Å; F624-L628 WeakPolarHBondContact O-CG 3.41Å; F624-L628 PolarHBondContact O-N 3.24Å; D625-L628 PolarHBondContact O-N 3.33Å; T626-L628 VanDerWaalsContact C-N 3.34Å; T626-L628 PolarHBondContact O-N 3.11Å; L628-Q630 VanDerWaalsContact C-N 3.32Å; L628-Q630 PolarHBondContact O-N 3.38Å; L628-T694 HydrophobicContact CD2-CG2 3.41Å; L628-T694 VanDerWaalsContact CD2-CG2 3.41Å; L628-T694 HydrophobicContact CG-CG2 4.45Å; L628-M698 HydrophobicContact CD1-SD 4.04Å; L628-M698 HydrophobicContact CD2-CG 4.39Å; L628-M698 HydrophobicContact CD2-SD 4.38Å |
| 629 | E | 84.1 | Confident | 86 | Confident | 169 Ų | 169 | 53.2 Ų | 53.2 | 79% | 0.79 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.9 | -36.4 | 177.7 | -64.6 | -175.5 | 170 | 0 | 0 | 112.4 | T626 L627 | T626-E629 PolarHBondContact O-N 3.24Å; L627-E629 PolarHBondContact O-N 3.32Å |
| 630 | Q | 83.6 | Confident | 85.7 | Confident | 66 Ų | 66 | 57 Ų | 57 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -89.5 | -26.7 | -176.5 | -58.4 | -164 | 16.1 | 0 | 0 | 113.5 | L617 Q621 L627 L628 G632 Q633 A634 | L617-Q630 HydrophobicContact CD2-CB 4.12Å; Q621-Q630 VanDerWaalsContact NE2-NE2 3.12Å; L627-Q630 PolarHBondContact O-N 3.13Å; L627-Q630 VanDerWaalsContact O-N 3.08Å; L628-Q630 VanDerWaalsContact C-N 3.32Å; L628-Q630 PolarHBondContact O-N 3.38Å; Q630-G632 PolarHBondContact O-N 3.19Å; Q630-Q633 PolarHBondContact O-N 3.49Å; Q630-A634 PolarHBondContact O-N 3.24Å |
| 631 | L | 85.4 | Confident | 85.6 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -32.3 | -172.3 | -164.5 | 67.8 | 0 | 0 | 0 | 113.1 | L617 L627 Q633 A634 K635 V691 T694 | L617-L631 HydrophobicContact CD1-CD1 4.42Å; L627-L631 WeakPolarHBondContact O-CB 3.39Å; L627-L631 PolarHBondContact O-N 3.19Å; L631-Q633 PolarHBondContact O-N 2.91Å; L631-A634 PolarHBondContact O-N 3.44Å; L631-K635 WeakPolarHBondContact O-CB 3.27Å; L631-K635 PolarHBondContact O-N 3.18Å; L631-V691 HydrophobicContact CD1-CG2 3.82Å; L631-T694 HydrophobicContact CD2-CG2 3.49Å; L631-T694 VanDerWaalsContact CD2-CG2 3.49Å |
| 632 | G | 78.9 | Confident | 85.6 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.7 | -47.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q630 | Q630-G632 PolarHBondContact O-N 3.19Å |
| 633 | Q | 77.4 | Confident | 85.7 | Confident | 177 Ų | 177 | 62.7 Ų | 62.7 | 83% | 0.827 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -76.7 | -36.8 | 177.4 | -65.1 | -179.3 | 6.3 | 0 | 0 | 111.6 | Q630 L631 K635 | Q630-Q633 PolarHBondContact O-N 3.49Å; L631-Q633 PolarHBondContact O-N 2.91Å; Q633-K635 PolarHBondContact O-N 3.49Å |
| 634 | A | 84.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 61 Ų | 61 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -32.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L613 L617 Q630 L631 I636 S637 I638 | L613-A634 HydrophobicContact CD2-CB 4.01Å; L617-A634 HydrophobicContact CD1-CB 3.77Å; L617-A634 HydrophobicContact CD2-CB 3.98Å; L617-A634 HydrophobicContact CG-CB 4.29Å; Q630-A634 PolarHBondContact O-N 3.24Å; L631-A634 PolarHBondContact O-N 3.44Å; A634-I636 VanDerWaalsContact C-N 3.33Å; A634-I636 PolarHBondContact O-N 3.41Å; A634-S637 WeakPolarHBondContact O-CA 3.44Å; A634-S637 VanDerWaalsContact O-CB 3.3Å; A634-S637 WeakPolarHBondContact O-CB 3.46Å; A634-S637 PolarHBondContact O-N 3.03Å; A634-I638 WeakPolarHBondContact O-CG1 3.45Å; A634-I638 PolarHBondContact O-N 3.2Å |
| 635 | K | 86.1 | Confident | 85.8 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.2 | -44.4 | -179.5 | -175.4 | 174.7 | -179.3 | 177.9 | 0 | 113 | L631 Q633 S637 I638 D639 V691 | L631-K635 WeakPolarHBondContact O-CB 3.27Å; L631-K635 PolarHBondContact O-N 3.18Å; Q633-K635 PolarHBondContact O-N 3.49Å; K635-S637 VanDerWaalsContact C-N 3.28Å; K635-S637 PolarHBondContact O-N 2.99Å; K635-I638 PolarHBondContact O-N 2.92Å; K635-D639 PolarHBondContact O-N 3.39Å; K635-V691 HydrophobicContact CD-CG1 4.09Å; K635-V691 HydrophobicContact CG-CG1 4.18Å |
| 636 | I | 84.1 | Confident | 85.9 | Confident | 113 Ų | 113 | 63.8 Ų | 63.8 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 177.8 | -60.3 | 172.2 | 0 | 0 | 0 | 110.5 | A634 N640 | A634-I636 VanDerWaalsContact C-N 3.33Å; A634-I636 PolarHBondContact O-N 3.41Å; I636-N640 WeakPolarHBondContact O-CB 3.3Å; I636-N640 PolarHBondContact O-N 3.19Å; I636-N640 VanDerWaalsContact O-N 3.11Å; I636-N640 PolarHBondContact O-ND2 3.24Å |
| 637 | S | 85.4 | Confident | 86.1 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 178 | -160.9 | 0 | 0 | 0 | 0 | 111.5 | A634 K635 D639 N640 V641 | A634-S637 WeakPolarHBondContact O-CA 3.44Å; A634-S637 VanDerWaalsContact O-CB 3.3Å; A634-S637 WeakPolarHBondContact O-CB 3.46Å; A634-S637 PolarHBondContact O-N 3.03Å; K635-S637 VanDerWaalsContact C-N 3.28Å; K635-S637 PolarHBondContact O-N 2.99Å; S637-D639 PolarHBondContact O-N 2.85Å; S637-N640 PolarHBondContact O-N 3.22Å; S637-V641 WeakPolarHBondContact O-CB 3.3Å; S637-V641 VanDerWaalsContact O-CG2 3.27Å; S637-V641 WeakPolarHBondContact O-CG2 3.4Å; S637-V641 PolarHBondContact O-N 3.43Å |
| 638 | I | 88.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 177.7 | -64.3 | 164.3 | 0 | 0 | 0 | 110.9 | L613 L617 A634 K635 N640 V641 T642 L687 N688 V691 | L613-I638 HydrophobicContact CD1-CG1 4Å; L617-I638 HydrophobicContact CD1-CD1 3.73Å; A634-I638 WeakPolarHBondContact O-CG1 3.45Å; A634-I638 PolarHBondContact O-N 3.2Å; K635-I638 PolarHBondContact O-N 2.92Å; I638-N640 VanDerWaalsContact C-N 3.33Å; I638-N640 PolarHBondContact O-N 3.23Å; I638-V641 PolarHBondContact O-N 2.93Å; I638-T642 VanDerWaalsContact O-CB 3.31Å; I638-T642 WeakPolarHBondContact O-CB 3.39Å; I638-T642 PolarHBondContact O-N 3.08Å; I638-T642 PolarHBondContact O-OG1 3.46Å; I638-L687 HydrophobicContact CD1-CB 4.22Å; I638-L687 HydrophobicContact CG1-CB 4.39Å; I638-L687 HydrophobicContact CG1-CD1 4.45Å; I638-L687 HydrophobicContact CG2-CB 4.24Å; I638-N688 WeakPolarHBondContact CG2-OD1 3.34Å; I638-V691 HydrophobicContact CD1-CG2 3.67Å |
| 639 | D | 87.1 | Confident | 86.6 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 179.4 | -72.9 | -21.3 | 0 | 0 | 0 | 111.8 | K635 S637 K643 | K635-D639 PolarHBondContact O-N 3.39Å; S637-D639 PolarHBondContact O-N 2.85Å; D639-K643 VanDerWaalsContact O-CG 3.3Å; D639-K643 WeakPolarHBondContact O-CG 3.44Å; D639-K643 PolarHBondContact O-N 3.45Å |
| 640 | N | 86.7 | Confident | 86.9 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 178.4 | -73.2 | -19.9 | 0 | 0 | 0 | 111.3 | I636 S637 I638 K643 Q644 | I636-N640 WeakPolarHBondContact O-CB 3.3Å; I636-N640 PolarHBondContact O-N 3.19Å; I636-N640 VanDerWaalsContact O-N 3.11Å; I636-N640 PolarHBondContact O-ND2 3.24Å; S637-N640 PolarHBondContact O-N 3.22Å; I638-N640 VanDerWaalsContact C-N 3.33Å; I638-N640 PolarHBondContact O-N 3.23Å; N640-K643 PolarHBondContact O-N 3.21Å; N640-Q644 VanDerWaalsContact O-CG 3.26Å; N640-Q644 WeakPolarHBondContact O-CG 3.22Å; N640-Q644 PolarHBondContact O-N 3.36Å; N640-Q644 VanDerWaalsContact O-N 3.11Å |
| 641 | V | 87.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | -179.4 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | R609 I610 S637 I638 K643 Q644 L645 | R609-V641 HydrophobicContact CB-CG2 4.38Å; I610-V641 HydrophobicContact CD1-CG1 3.45Å; I610-V641 VanDerWaalsContact CD1-CG1 3.45Å; I610-V641 HydrophobicContact CG1-CG1 3.3Å; S637-V641 WeakPolarHBondContact O-CB 3.3Å; S637-V641 VanDerWaalsContact O-CG2 3.27Å; S637-V641 WeakPolarHBondContact O-CG2 3.4Å; S637-V641 PolarHBondContact O-N 3.43Å; I638-V641 PolarHBondContact O-N 2.93Å; V641-K643 VanDerWaalsContact C-N 3.26Å; V641-K643 PolarHBondContact O-N 3.17Å; V641-Q644 PolarHBondContact O-N 3.31Å; V641-L645 PolarHBondContact O-N 3.14Å |
| 642 | T | 88 | Confident | 87.6 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 31% | 0.307 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.7 | -37.3 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | I638 N688 | I638-T642 VanDerWaalsContact O-CB 3.31Å; I638-T642 WeakPolarHBondContact O-CB 3.39Å; I638-T642 PolarHBondContact O-N 3.08Å; I638-T642 PolarHBondContact O-OG1 3.46Å; T642-N688 PolarHBondContact OG1-ND2 3.43Å; T642-N688 VanDerWaalsContact OG1-ND2 3.11Å |
| 643 | K | 88.7 | Confident | 88 | Confident | 155 Ų | 155 | 59 Ų | 59 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -73.1 | -29.5 | 175.4 | -70.8 | 169.3 | -173.7 | 169 | 0 | 113.4 | D639 N640 V641 | D639-K643 VanDerWaalsContact O-CG 3.3Å; D639-K643 WeakPolarHBondContact O-CG 3.44Å; D639-K643 PolarHBondContact O-N 3.45Å; N640-K643 PolarHBondContact O-N 3.21Å; V641-K643 VanDerWaalsContact C-N 3.26Å; V641-K643 PolarHBondContact O-N 3.17Å |
| 644 | Q | 88.4 | Confident | 88.3 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80.5 | -30.3 | -179.2 | -73.6 | 166.8 | 0.8 | 0 | 0 | 112.8 | H600 L606 N640 V641 P646 T647 I648 | H600-Q644 VanDerWaalsContact CE1-CD 3.45Å; H600-Q644 PolarHBondContact CE1-NE2 3Å; H600-Q644 PolarHBondContact NE2-NE2 3.17Å; H600-Q644 VanDerWaalsContact NE2-NE2 3.11Å; L606-Q644 HydrophobicContact CD1-CB 4.41Å; L606-Q644 HydrophobicContact CD2-CB 4.02Å; N640-Q644 VanDerWaalsContact O-CG 3.26Å; N640-Q644 WeakPolarHBondContact O-CG 3.22Å; N640-Q644 PolarHBondContact O-N 3.36Å; N640-Q644 VanDerWaalsContact O-N 3.11Å; V641-Q644 PolarHBondContact O-N 3.31Å; Q644-P646 VanDerWaalsContact C-CD 3.48Å; Q644-T647 CarbonylContact O-C 3.59Å; Q644-T647 WeakPolarHBondContact O-CA 3.19Å; Q644-T647 PolarHBondContact O-N 2.99Å; Q644-T647 PolarHBondContact O-OG1 3.04Å; Q644-I648 PolarHBondContact O-N 2.83Å |
| 645 | L | 89 | Confident | 88.1 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -53.6 | -40.9 | -173 | -174.8 | 59.7 | 0 | 0 | 0 | 114.8 | V641 T647 I648 L680 N681 C684 | V641-L645 PolarHBondContact O-N 3.14Å; L645-T647 PolarHBondContact O-N 3.3Å; L645-I648 HydrophobicContact CD1-CD1 4.31Å; L645-I648 WeakPolarHBondContact O-CB 3.27Å; L645-I648 WeakPolarHBondContact O-CG2 3.45Å; L645-I648 PolarHBondContact O-N 2.68Å; L645-L680 HydrophobicContact CD1-CB 3.71Å; L645-L680 HydrophobicContact CD1-CD1 3.82Å; L645-L680 HydrophobicContact CD1-CG 4.44Å; L645-L680 HydrophobicContact CD2-CB 4.38Å; L645-N681 WeakPolarHBondContact CD2-OD1 3.25Å; L645-C684 HydrophobicContact CD2-CB 4.26Å |
| 646 | P | 88.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 54 Ų | 54 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -64.8 | -21.1 | 175.9 | -22.7 | 34.9 | 0 | 0 | 0 | 114.3 | Q644 | Q644-P646 VanDerWaalsContact C-CD 3.48Š|
| 647 | T | 90.1 | Very high | 87.6 | Confident | 75 Ų | 75 | 49 Ų | 49 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -102.9 | 11.9 | -178 | 58 | 0 | 0 | 0 | 0 | 113.4 | N601 Q644 L645 | N601-T647 VanDerWaalsContact CB-O 3.24Å; N601-T647 WeakPolarHBondContact CB-O 3.34Å; N601-T647 WeakPolarHBondContact ND2-CB 3.36Å; N601-T647 PolarHBondContact ND2-O 3.48Å; N601-T647 PolarHBondContact ND2-OG1 3.43Å; Q644-T647 CarbonylContact O-C 3.59Å; Q644-T647 WeakPolarHBondContact O-CA 3.19Å; Q644-T647 PolarHBondContact O-N 2.99Å; Q644-T647 PolarHBondContact O-OG1 3.04Å; L645-T647 PolarHBondContact O-N 3.3Å |
| 648 | I | 93.2 | Very high | 87 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | trans | -54.8 | 138.7 | 179.7 | -171.5 | 163.8 | 0 | 0 | 0 | 112.2 | N601 D603 L606 Q644 L645 F673 K677 L680 | N601-I648 WeakPolarHBondContact O-CA 3.45Å; D603-I648 HydrophobicContact CB-CD1 3.98Å; D603-I648 HydrophobicContact CB-CG1 3.98Å; L606-I648 HydrophobicContact CB-CD1 4.47Å; L606-I648 HydrophobicContact CD1-CB 4.03Å; L606-I648 HydrophobicContact CD1-CD1 4Å; L606-I648 HydrophobicContact CD1-CG1 3.88Å; Q644-I648 PolarHBondContact O-N 2.83Å; L645-I648 HydrophobicContact CD1-CD1 4.31Å; L645-I648 WeakPolarHBondContact O-CB 3.27Å; L645-I648 WeakPolarHBondContact O-CG2 3.45Å; L645-I648 PolarHBondContact O-N 2.68Å; I648-F673 HydrophobicContact CG1-CE2 4.36Å; I648-F673 HydrophobicContact CG1-CZ 4.13Å; I648-F673 HydrophobicContact CG2-CZ 4Å; I648-K677 HydrophobicContact CG2-CD 4.29Å; I648-K677 HydrophobicContact CG2-CG 4.05Å; I648-L680 HydrophobicContact CD1-CD1 3.56Å | ||
| 649 | V | 91.7 | Very high | 86.3 | Confident | 50 Ų | 50 | 51 Ų | 51 | 30% | 0.303 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -116.9 | 128 | -179 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | Q598 N601 D603 C651 | Q598-V649 HydrophobicContact CG-CB 4.48Å; Q598-V649 HydrophobicContact CG-CG1 4.02Å; N601-V649 HydrophobicContact CB-CG2 4.1Å; N601-V649 PolarHBondContact O-N 3.5Å; D603-V649 WeakPolarHBondContact CB-O 3.47Å; D603-V649 PolarHBondContact N-O 2.8Å; D603-V649 VanDerWaalsContact N-O 3.14Å; V649-C651 PolarHBondContact O-N 2.89Å |
| 650 | D | 92.1 | Very high | 85.8 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | trans | -70.6 | 113.8 | 172.5 | -165.5 | -10.2 | 0 | 0 | 0 | 109.4 | R652 F673 | D650-R652 WeakPolarHBondContact OD1-CB 3.37Å; D650-R652 VanDerWaalsContact OD1-CG 3.27Å; D650-R652 WeakPolarHBondContact OD1-CG 3.4Å; D650-R652 IonicContact OD1-CZ 3.76Å; D650-R652 PolarHBondContact OD1-N 3.28Å; D650-R652 VanDerWaalsContact OD1-N 3.15Å; D650-R652 IonicContact OD1-NE 3.59Å; D650-R652 PolarHBondContact OD1-NE 3.49Å; D650-R652 IonicContact OD1-NH2 3.08Å; D650-R652 IonicContact OD2-CZ 3.91Å; D650-R652 IonicContact OD2-NE 3.7Å; D650-R652 IonicContact OD2-NH2 3.74Å; D650-R652 PolarHBondContact OD2-NH2 3.31Å; D650-F673 HydrophobicContact CB-CD1 4.01Å; D650-F673 HydrophobicContact CB-CD2 3.76Å; D650-F673 HydrophobicContact CB-CE1 3.85Å; D650-F673 HydrophobicContact CB-CE2 3.63Å; D650-F673 HydrophobicContact CB-CG 3.97Å; D650-F673 HydrophobicContact CB-CZ 3.68Å | ||
| 651 | C | 91.8 | Very high | 85 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | trans | -106.9 | 2 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | L523 S524 D603 V649 | L523-C651 HydrophobicContact CB-CB 4.3Å; L523-C651 CarbonylContact O-C 3.16Å; L523-C651 WeakPolarHBondContact O-CB 3.39Å; S524-C651 WeakPolarHBondContact CA-O 3.38Å; D603-C651 PolarHBondContact OD1-N 3.44Å; V649-C651 PolarHBondContact O-N 2.89Å | ||
| 652 | R | 90.1 | Very high | 83.8 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | trans | -70.3 | 131.8 | -171.6 | -55.1 | 174.8 | -66.7 | 155.9 | 10.5 | 110.6 | H527 D603 D650 F654 V669 S672 F673 | H527-R652 HydrophobicContact CB-CB 4.34Å; H527-R652 HydrophobicContact CB-CG 3.8Å; D603-R652 WeakPolarHBondContact OD2-CD 3.41Å; D603-R652 VanDerWaalsContact OD2-CG 3.26Å; D603-R652 WeakPolarHBondContact OD2-CG 3.43Å; D603-R652 IonicContact OD2-NE 2.9Å; D650-R652 WeakPolarHBondContact OD1-CB 3.37Å; D650-R652 VanDerWaalsContact OD1-CG 3.27Å; D650-R652 WeakPolarHBondContact OD1-CG 3.4Å; D650-R652 IonicContact OD1-CZ 3.76Å; D650-R652 PolarHBondContact OD1-N 3.28Å; D650-R652 VanDerWaalsContact OD1-N 3.15Å; D650-R652 IonicContact OD1-NE 3.59Å; D650-R652 PolarHBondContact OD1-NE 3.49Å; D650-R652 IonicContact OD1-NH2 3.08Å; D650-R652 IonicContact OD2-CZ 3.91Å; D650-R652 IonicContact OD2-NE 3.7Å; D650-R652 IonicContact OD2-NH2 3.74Å; D650-R652 PolarHBondContact OD2-NH2 3.31Å; R652-F654 HydrophobicContact CB-CD2 4.43Å; R652-F654 HydrophobicContact CB-CE2 3.69Å; R652-F654 HydrophobicContact CB-CZ 3.81Å; R652-V669 PolarHBondContact NH2-O 3.14Å; R652-S672 PolarHBondContact NH1-OG 3.42Å; R652-S672 PolarHBondContact NH2-OG 3.48Å; R652-F673 VanDerWaalsContact NH2-CB 3.33Å | ||
| 653 | D | 87.6 | Confident | 82.1 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | trans | -111 | 105.9 | 176.8 | -171.5 | -3 | 0 | 0 | 0 | 110.9 | S524 H527 S655 V656 | S524-D653 PolarHBondContact O-N 3.25Å; H527-D653 PolarHBondContact CE1-O 3.11Å; D653-S655 WeakPolarHBondContact OD1-CB 3.46Å; D653-S655 PolarHBondContact OD1-N 2.92Å; D653-S655 PolarHBondContact OD1-OG 3.02Å; D653-V656 HydrophobicContact CB-CG2 4.17Å | ||
| 654 | F | 83.9 | Confident | 80.6 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | trans | -88.8 | -6.4 | 178.5 | -61 | -70.5 | 0 | 0 | 0 | 112.8 | H527 R652 V656 V669 T769 | H527-F654 AromaticContact CD2-CE1 3.62Å; H527-F654 AromaticContact NE2-CD1 3.75Å; H527-F654 AromaticContact NE2-CE1 3.64Å; R652-F654 HydrophobicContact CB-CD2 4.43Å; R652-F654 HydrophobicContact CB-CE2 3.69Å; R652-F654 HydrophobicContact CB-CZ 3.81Å; F654-V656 VanDerWaalsContact C-N 3.33Å; F654-V656 PolarHBondContact O-N 3.34Å; F654-V669 HydrophobicContact CD2-CG1 4.2Å; F654-V669 HydrophobicContact CD2-CG2 4.01Å; F654-V669 HydrophobicContact CE2-CG1 3.95Å; F654-V669 HydrophobicContact CE2-CG2 4.29Å; F654-T769 WeakPolarHBondContact CD1-O 3.25Å; F654-T769 VanDerWaalsContact O-CB 3.31Å; F654-T769 WeakPolarHBondContact O-CB 3.29Å; F654-T769 VanDerWaalsContact O-CG2 3.3Å; F654-T769 WeakPolarHBondContact O-CG2 3.31Å | ||
| 655 | S | 80 | Confident | 79.1 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 67% | 0.671 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.4 | -175.1 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | D653 T657 | D653-S655 WeakPolarHBondContact OD1-CB 3.46Å; D653-S655 PolarHBondContact OD1-N 2.92Å; D653-S655 PolarHBondContact OD1-OG 3.02Å; S655-T657 VanDerWaalsContact C-N 3.3Å; S655-T657 PolarHBondContact O-N 3.5Å |
| 656 | V | 82.8 | Confident | 78.1 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -31 | -173.7 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | I491 L525 D653 F654 | I491-V656 HydrophobicContact CD1-CG1 3.91Å; L525-V656 HydrophobicContact CD2-CB 4.17Å; L525-V656 HydrophobicContact CD2-CG1 4.34Å; L525-V656 HydrophobicContact CD2-CG2 3.8Å; D653-V656 HydrophobicContact CB-CG2 4.17Å; F654-V656 VanDerWaalsContact C-N 3.33Å; F654-V656 PolarHBondContact O-N 3.34Å |
| 657 | T | 76.9 | Confident | 77.5 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -109.4 | 122.8 | 170 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | H488 I491 S655 N659 T769 | H488-T657 HydrophobicContact CB-CG2 4.49Å; I491-T657 HydrophobicContact CB-CG2 3.7Å; I491-T657 HydrophobicContact CD1-CG2 3.58Å; I491-T657 HydrophobicContact CG1-CG2 4.23Å; I491-T657 HydrophobicContact CG2-CG2 3.67Å; S655-T657 VanDerWaalsContact C-N 3.3Å; S655-T657 PolarHBondContact O-N 3.5Å; T657-N659 PolarHBondContact O-N 3.08Å; T657-T769 WeakPolarHBondContact O-CG2 3.48Å; T657-T769 WeakPolarHBondContact OG1-CG2 3.32Å |
| 658 | P | 73.3 | Confident | 77 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | trans | -63.1 | 127.6 | 177.3 | 27.2 | -32.4 | 0 | 0 | 0 | 109.1 | H488 F660 | H488-P658 WeakPolarHBondContact CE1-CD 3.47Å; P658-F660 HydrophobicContact CB-CE2 3.89Å; P658-F660 HydrophobicContact CB-CZ 4Å; P658-F660 HydrophobicContact CG-CE2 4.19Å | ||
| 659 | N | 74.9 | Confident | 76.5 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.193 | 31% | 0.309 | C | S | . | . | trans | -105.7 | 122 | 173.3 | -166 | 3.9 | 0 | 0 | 0 | 109 | T657 D661 E664 T769 | T657-N659 PolarHBondContact O-N 3.08Å; N659-D661 VanDerWaalsContact OD1-CB 3.22Å; N659-D661 WeakPolarHBondContact OD1-CB 3.14Å; N659-D661 VanDerWaalsContact OD1-CG 3.26Å; N659-D661 PolarHBondContact OD1-N 2.92Å; N659-D661 PolarHBondContact OD1-OD2 3.03Å; N659-D661 VanDerWaalsContact OD1-OD2 3.07Å; N659-E664 PolarHBondContact ND2-OE1 3.34Å; N659-T769 HydrophobicContact CB-CG2 4.16Å | ||
| 660 | F | 76.1 | Confident | 76.2 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | trans | -104.6 | 10.7 | 175.3 | -58.7 | -76.2 | 0 | 0 | 0 | 111.7 | S340 A344 Q390 R393 A394 P658 | S340-F660 WeakPolarHBondContact OG-CZ 3.44Å; A344-F660 HydrophobicContact CB-CD1 4.37Å; Q390-F660 HydrophobicContact CB-CD1 3.8Å; Q390-F660 HydrophobicContact CB-CD2 4.05Å; Q390-F660 HydrophobicContact CB-CE1 3.92Å; Q390-F660 HydrophobicContact CB-CE2 4.17Å; Q390-F660 HydrophobicContact CB-CG 3.86Å; Q390-F660 HydrophobicContact CB-CZ 4.09Å; Q390-F660 HydrophobicContact CG-CD1 4.36Å; Q390-F660 HydrophobicContact CG-CD2 3.69Å; Q390-F660 HydrophobicContact CG-CE1 4.37Å; Q390-F660 HydrophobicContact CG-CE2 3.71Å; Q390-F660 HydrophobicContact CG-CG 4.03Å; Q390-F660 HydrophobicContact CG-CZ 4.05Å; Q390-F660 VanDerWaalsContact NE2-CE2 3.26Å; R393-F660 CarbonylContact C-O 3.55Å; R393-F660 WeakPolarHBondContact CG-O 3.15Å; A394-F660 VanDerWaalsContact CA-O 3.24Å; A394-F660 WeakPolarHBondContact CA-O 3.46Å; A394-F660 PolarHBondContact N-O 3.21Å; A394-F660 VanDerWaalsContact N-O 3.12Å; P658-F660 HydrophobicContact CB-CE2 3.89Å; P658-F660 HydrophobicContact CB-CZ 4Å; P658-F660 HydrophobicContact CG-CE2 4.19Å | ||
| 661 | D | 69.9 | Low | 75.9 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -71.7 | 168.7 | 164.9 | -61 | -38.2 | 0 | 0 | 0 | 110.1 | R393 S449 N659 | R393-D661 IonicContact CZ-OD1 3.45Å; R393-D661 IonicContact NE-OD1 3.76Å; R393-D661 PolarHBondContact NE-OD1 3.45Å; R393-D661 IonicContact NH2-OD1 2.85Å; R393-D661 PolarHBondContact NH2-OD1 3.2Å; S449-D661 VanDerWaalsContact CB-OD1 3.31Å; S449-D661 WeakPolarHBondContact CB-OD1 3.46Å; S449-D661 PolarHBondContact OG-OD1 3Å; S449-D661 PolarHBondContact OG-OD2 3.31Å; S449-D661 VanDerWaalsContact OG-OD2 3.14Å; N659-D661 VanDerWaalsContact OD1-CB 3.22Å; N659-D661 WeakPolarHBondContact OD1-CB 3.14Å; N659-D661 VanDerWaalsContact OD1-CG 3.26Å; N659-D661 PolarHBondContact OD1-N 2.92Å; N659-D661 PolarHBondContact OD1-OD2 3.03Å; N659-D661 VanDerWaalsContact OD1-OD2 3.07Å |
| 662 | Q | 61.6 | Low | 75.6 | Confident | 108 Ų | 108 | 67.8 Ų | 67.8 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -46.8 | 142.3 | -176.6 | -69.7 | -177.5 | -9 | 0 | 0 | 113 | N396 E664 | N396-Q662 VanDerWaalsContact OD1-CG 3.3Å; N396-Q662 WeakPolarHBondContact OD1-CG 3.37Å; N396-Q662 PolarHBondContact OD1-NE2 3.49Å; Q662-E664 PolarHBondContact O-N 3.41Å |
| 663 | Y | 54.1 | Low | 75.7 | Confident | 170 Ų | 170 | 66.9 Ų | 66.9 | 67% | 0.667 | 33% | 0.331 | S | S | * | . | trans | -41.8 | 113.5 | -177.3 | -151.8 | -87.7 | 0 | 0 | 0 | 111.5 | Q665 | Y663-Q665 PolarHBondContact O-N 3.16Š| ||
| 664 | E | 55.8 | Low | 75.7 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | trans | -64 | 127.8 | -177.8 | -65 | -162.5 | 154.8 | 0 | 0 | 110 | N659 Q662 L666 T769 S770 | N659-E664 PolarHBondContact ND2-OE1 3.34Å; Q662-E664 PolarHBondContact O-N 3.41Å; E664-L666 PolarHBondContact O-N 2.87Å; E664-T769 WeakPolarHBondContact OE1-CA 3.28Å; E664-T769 WeakPolarHBondContact OE1-CB 3.47Å; E664-T769 PolarHBondContact OE1-N 2.82Å; E664-T769 PolarHBondContact OE1-OG1 3.06Å; E664-T769 PolarHBondContact OE2-OG1 3.45Å; E664-S770 WeakPolarHBondContact CB-OG 3.49Å; E664-S770 PolarHBondContact OE1-N 3.37Å; E664-S770 VanDerWaalsContact OE1-N 3.07Å; E664-S770 PolarHBondContact OE2-N 2.9Å; E664-S770 PolarHBondContact OE2-OG 2.98Å | ||
| 665 | Q | 57.9 | Low | 76 | Confident | 118 Ų | 118 | 66.8 Ų | 66.8 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | trans | -70.9 | 117.4 | 174.6 | -65.6 | -177.8 | -2.9 | 0 | 0 | 107.3 | Y663 E667 N668 | Y663-Q665 PolarHBondContact O-N 3.16Å; Q665-E667 HydrophobicContact CB-CB 4.16Å; Q665-E667 PolarHBondContact O-N 2.99Å; Q665-N668 WeakPolarHBondContact O-CB 3.29Å; Q665-N668 PolarHBondContact O-N 2.95Å | ||
| 666 | L | 66.5 | Low | 76.6 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 64% | 0.639 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -49.3 | -20.1 | 170.7 | -174 | 66.6 | 0 | 0 | 0 | 112.4 | E664 | E664-L666 PolarHBondContact O-N 2.87Å |
| 667 | E | 76.3 | Confident | 77 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -39.6 | 172.3 | -162.8 | 161.4 | -172.3 | 0 | 0 | 113.7 | Q665 V669 R670 L671 | Q665-E667 HydrophobicContact CB-CB 4.16Å; Q665-E667 PolarHBondContact O-N 2.99Å; E667-V669 VanDerWaalsContact C-N 3.34Å; E667-V669 PolarHBondContact O-N 2.68Å; E667-R670 WeakPolarHBondContact O-CB 3.31Å; E667-R670 PolarHBondContact O-N 3.46Å; E667-R670 VanDerWaalsContact O-N 3.1Å; E667-L671 HydrophobicContact CG-CD1 4.15Å; E667-L671 HydrophobicContact CG-CG 4.35Å; E667-L671 WeakPolarHBondContact O-CG 3.3Å; E667-L671 PolarHBondContact O-N 3.14Å |
| 668 | N | 79.6 | Confident | 77.5 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | -179.1 | -70.2 | 0.6 | 0 | 0 | 0 | 112.5 | Q665 R670 L671 S672 S770 D772 | Q665-N668 WeakPolarHBondContact O-CB 3.29Å; Q665-N668 PolarHBondContact O-N 2.95Å; N668-R670 VanDerWaalsContact C-N 3.3Å; N668-R670 PolarHBondContact O-N 3.09Å; N668-L671 PolarHBondContact O-N 3.13Å; N668-S672 WeakPolarHBondContact O-CB 3.37Å; N668-S672 PolarHBondContact O-N 3.5Å; N668-S672 PolarHBondContact O-OG 2.92Å; N668-S770 PolarHBondContact ND2-O 3.43Å; N668-D772 PolarHBondContact ND2-OD1 3.18Å; N668-D772 PolarHBondContact OD1-OD1 2.92Å |
| 669 | V | 83.5 | Confident | 78.4 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | R652 F654 E667 S672 F673 | R652-V669 PolarHBondContact NH2-O 3.14Å; F654-V669 HydrophobicContact CD2-CG1 4.2Å; F654-V669 HydrophobicContact CD2-CG2 4.01Å; F654-V669 HydrophobicContact CE2-CG1 3.95Å; F654-V669 HydrophobicContact CE2-CG2 4.29Å; E667-V669 VanDerWaalsContact C-N 3.34Å; E667-V669 PolarHBondContact O-N 2.68Å; V669-S672 PolarHBondContact O-OG 3.4Å; V669-F673 PolarHBondContact O-N 2.87Å; V669-F673 VanDerWaalsContact O-N 3.12Å |
| 670 | R | 85.4 | Confident | 79.3 | Confident | 166 Ų | 166 | 60.8 Ų | 60.8 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.3 | -47.3 | 178.1 | -65.9 | 178.7 | 177.8 | 177.8 | 0.4 | 111.9 | E667 N668 S672 F673 D674 | E667-R670 WeakPolarHBondContact O-CB 3.31Å; E667-R670 PolarHBondContact O-N 3.46Å; E667-R670 VanDerWaalsContact O-N 3.1Å; N668-R670 VanDerWaalsContact C-N 3.3Å; N668-R670 PolarHBondContact O-N 3.09Å; R670-S672 PolarHBondContact O-N 3.08Å; R670-F673 WeakPolarHBondContact O-CB 3.43Å; R670-F673 PolarHBondContact O-N 3.17Å; R670-F673 VanDerWaalsContact O-N 3.12Å; R670-D674 PolarHBondContact O-N 3.47Å |
| 671 | L | 85.3 | Confident | 80 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 45% | 0.45 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 179.1 | -69.4 | 175.2 | 0 | 0 | 0 | 111.9 | E667 N668 F673 D674 H675 L773 | E667-L671 HydrophobicContact CG-CD1 4.15Å; E667-L671 HydrophobicContact CG-CG 4.35Å; E667-L671 WeakPolarHBondContact O-CG 3.3Å; E667-L671 PolarHBondContact O-N 3.14Å; N668-L671 PolarHBondContact O-N 3.13Å; L671-F673 VanDerWaalsContact C-N 3.3Å; L671-F673 PolarHBondContact O-N 3.48Å; L671-D674 PolarHBondContact O-N 2.99Å; L671-H675 WeakPolarHBondContact O-CB 3.43Å; L671-H675 PolarHBondContact O-N 3.37Å; L671-L773 HydrophobicContact CB-CD1 4.46Å |
| 672 | S | 86.8 | Confident | 81 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 175.8 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | R652 N668 V669 R670 H675 L676 | R652-S672 PolarHBondContact NH1-OG 3.42Å; R652-S672 PolarHBondContact NH2-OG 3.48Å; N668-S672 WeakPolarHBondContact O-CB 3.37Å; N668-S672 PolarHBondContact O-N 3.5Å; N668-S672 PolarHBondContact O-OG 2.92Å; V669-S672 PolarHBondContact O-OG 3.4Å; R670-S672 PolarHBondContact O-N 3.08Å; S672-H675 WeakPolarHBondContact O-CB 3.33Å; S672-L676 PolarHBondContact O-N 3.46Å |
| 673 | F | 90.8 | Very high | 82.5 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 175.1 | -169 | -132 | 0 | 0 | 0 | 112.2 | D603 I648 D650 R652 V669 R670 L671 H675 L676 K677 | D603-F673 HydrophobicContact CB-CE2 3.96Å; I648-F673 HydrophobicContact CG1-CE2 4.36Å; I648-F673 HydrophobicContact CG1-CZ 4.13Å; I648-F673 HydrophobicContact CG2-CZ 4Å; D650-F673 HydrophobicContact CB-CD1 4.01Å; D650-F673 HydrophobicContact CB-CD2 3.76Å; D650-F673 HydrophobicContact CB-CE1 3.85Å; D650-F673 HydrophobicContact CB-CE2 3.63Å; D650-F673 HydrophobicContact CB-CG 3.97Å; D650-F673 HydrophobicContact CB-CZ 3.68Å; R652-F673 VanDerWaalsContact NH2-CB 3.33Å; V669-F673 PolarHBondContact O-N 2.87Å; V669-F673 VanDerWaalsContact O-N 3.12Å; R670-F673 WeakPolarHBondContact O-CB 3.43Å; R670-F673 PolarHBondContact O-N 3.17Å; R670-F673 VanDerWaalsContact O-N 3.12Å; L671-F673 VanDerWaalsContact C-N 3.3Å; L671-F673 PolarHBondContact O-N 3.48Å; F673-H675 VanDerWaalsContact C-N 3.28Å; F673-H675 PolarHBondContact O-N 3.14Å; F673-L676 HydrophobicContact CD2-CD2 4.33Å; F673-L676 HydrophobicContact CE2-CD2 4.44Å; F673-L676 WeakPolarHBondContact O-CB 3.36Å; F673-L676 PolarHBondContact O-N 3.42Å; F673-L676 VanDerWaalsContact O-N 3.15Å; F673-K677 HydrophobicContact CE1-CD 4.42Å; F673-K677 PolarHBondContact O-N 2.98Å |
| 674 | D | 88.8 | Confident | 84.4 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 40% | 0.401 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.6 | -31.5 | 178 | -70 | -25.7 | 0 | 0 | 0 | 111.7 | R670 L671 K677 S678 | R670-D674 PolarHBondContact O-N 3.47Å; L671-D674 PolarHBondContact O-N 2.99Å; D674-K677 PolarHBondContact O-N 3.01Å; D674-K677 IonicContact OD1-NZ 3.94Å; D674-K677 PolarHBondContact OD1-NZ 3.22Å; D674-S678 WeakPolarHBondContact O-CB 3.22Å; D674-S678 PolarHBondContact O-N 3.34Å; D674-S678 PolarHBondContact O-OG 3.14Å |
| 675 | H | 89.4 | Confident | 86.1 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 167 | 174.6 | 61.6 | 0 | 0 | 0 | 112.2 | P532 L671 S672 F673 K677 S678 W679 L773 S777 C778 A779 | P532-H675 WeakPolarHBondContact CG-CD2 3.33Å; P532-H675 WeakPolarHBondContact CG-NE2 3.42Å; L671-H675 WeakPolarHBondContact O-CB 3.43Å; L671-H675 PolarHBondContact O-N 3.37Å; S672-H675 WeakPolarHBondContact O-CB 3.33Å; F673-H675 VanDerWaalsContact C-N 3.28Å; F673-H675 PolarHBondContact O-N 3.14Å; H675-K677 PolarHBondContact O-N 2.69Å; H675-S678 WeakPolarHBondContact O-CB 3.47Å; H675-S678 PolarHBondContact O-N 3.28Å; H675-S678 VanDerWaalsContact O-N 3.16Å; H675-W679 PolarHBondContact O-N 2.88Å; H675-L773 HydrophobicContact CB-CD1 3.75Å; H675-L773 HydrophobicContact CB-CD2 4.03Å; H675-S777 WeakPolarHBondContact CE1-CB 3.34Å; H675-S777 PolarHBondContact CE1-OG 3.05Å; H675-S777 WeakPolarHBondContact ND1-CB 3.48Å; H675-S777 PolarHBondContact ND1-OG 3.15Å; H675-C778 PolarHBondContact CE1-N 2.97Å; H675-A779 PolarHBondContact CE1-N 2.97Å; H675-A779 VanDerWaalsContact CE1-N 3.34Å |
| 676 | L | 91.8 | Very high | 87.8 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 174.9 | 177.4 | 62.5 | 0 | 0 | 0 | 111.4 | P532 D603 T607 S672 F673 S678 W679 L680 | P532-L676 HydrophobicContact CB-CD1 3.97Å; P532-L676 HydrophobicContact CG-CD1 4.35Å; D603-L676 HydrophobicContact CB-CD2 3.96Å; T607-L676 HydrophobicContact CG2-CD1 4.13Å; S672-L676 PolarHBondContact O-N 3.46Å; F673-L676 HydrophobicContact CD2-CD2 4.33Å; F673-L676 HydrophobicContact CE2-CD2 4.44Å; F673-L676 WeakPolarHBondContact O-CB 3.36Å; F673-L676 PolarHBondContact O-N 3.42Å; F673-L676 VanDerWaalsContact O-N 3.15Å; L676-S678 VanDerWaalsContact C-N 3.29Å; L676-S678 PolarHBondContact O-N 3.45Å; L676-W679 WeakPolarHBondContact O-CB 3.01Å; L676-W679 PolarHBondContact O-N 3.37Å; L676-L680 HydrophobicContact CD1-CD1 4.47Å; L676-L680 HydrophobicContact CD1-CD2 4.45Å; L676-L680 HydrophobicContact CD1-CG 4.24Å; L676-L680 HydrophobicContact CG-CD1 4.35Å; L676-L680 HydrophobicContact CG-CG 4.46Å; L676-L680 WeakPolarHBondContact O-CG 3.33Å; L676-L680 PolarHBondContact O-N 3.04Å |
| 677 | K | 91.4 | Very high | 89.1 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 27% | 0.27 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 175.5 | -68.5 | 177.5 | -165.5 | 149.4 | 0 | 112.2 | I648 F673 D674 H675 W679 L680 N681 | I648-K677 HydrophobicContact CG2-CD 4.29Å; I648-K677 HydrophobicContact CG2-CG 4.05Å; F673-K677 HydrophobicContact CE1-CD 4.42Å; F673-K677 PolarHBondContact O-N 2.98Å; D674-K677 PolarHBondContact O-N 3.01Å; D674-K677 IonicContact OD1-NZ 3.94Å; D674-K677 PolarHBondContact OD1-NZ 3.22Å; H675-K677 PolarHBondContact O-N 2.69Å; K677-W679 VanDerWaalsContact C-N 3.34Å; K677-L680 PolarHBondContact O-N 2.97Å; K677-N681 WeakPolarHBondContact O-CB 3.44Å; K677-N681 VanDerWaalsContact O-CG 3.29Å; K677-N681 PolarHBondContact O-N 3.22Å; K677-N681 PolarHBondContact O-ND2 3.23Å; K677-N681 VanDerWaalsContact O-ND2 3.15Å |
| 678 | S | 89.1 | Confident | 89.9 | Confident | 41 Ų | 41 | 31.8 Ų | 31.8 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | D674 H675 L676 N681 I682 | D674-S678 WeakPolarHBondContact O-CB 3.22Å; D674-S678 PolarHBondContact O-N 3.34Å; D674-S678 PolarHBondContact O-OG 3.14Å; H675-S678 WeakPolarHBondContact O-CB 3.47Å; H675-S678 PolarHBondContact O-N 3.28Å; H675-S678 VanDerWaalsContact O-N 3.16Å; L676-S678 VanDerWaalsContact C-N 3.29Å; L676-S678 PolarHBondContact O-N 3.45Å; S678-N681 PolarHBondContact O-N 3Å; S678-I682 WeakPolarHBondContact O-CG1 3.5Å; S678-I682 PolarHBondContact O-N 3.23Å; S678-I682 VanDerWaalsContact O-N 3.08Å |
| 679 | W | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 173.6 | 178.8 | -99.4 | 0 | 0 | 0 | 112.2 | P532 E611 H675 L676 K677 N681 I682 R683 C778 A779 Y782 | P532-W679 HydrophobicContact CB-CB 3.59Å; P532-W679 HydrophobicContact CB-CD2 4.08Å; P532-W679 HydrophobicContact CB-CG 3.48Å; P532-W679 VanDerWaalsContact CB-CG 3.48Å; E611-W679 PolarHBondContact OE1-NE1 3.27Å; H675-W679 PolarHBondContact O-N 2.88Å; L676-W679 WeakPolarHBondContact O-CB 3.01Å; L676-W679 PolarHBondContact O-N 3.37Å; K677-W679 VanDerWaalsContact C-N 3.34Å; W679-N681 VanDerWaalsContact C-N 3.31Å; W679-N681 PolarHBondContact O-N 2.85Å; W679-I682 PolarHBondContact O-N 3.48Å; W679-R683 VanDerWaalsContact CZ2-CZ 3.5Å; W679-R683 WeakPolarHBondContact O-CG 3.36Å; W679-R683 PolarHBondContact O-N 3.41Å; W679-R683 VanDerWaalsContact O-N 3.13Å; W679-C778 HydrophobicContact CE3-CB 4.38Å; W679-C778 HydrophobicContact CZ3-CB 4.23Å; W679-A779 HydrophobicContact CB-CB 4.49Å; W679-A779 HydrophobicContact CE3-CB 4.37Å; W679-Y782 HydrophobicContact CH2-CD1 4.35Å; W679-Y782 AromaticContact CH2-CD2 3.87Å; W679-Y782 HydrophobicContact CH2-CD2 3.87Å; W679-Y782 HydrophobicContact CH2-CE1 4.2Å; W679-Y782 AromaticContact CH2-CE2 3.66Å; W679-Y782 HydrophobicContact CH2-CE2 3.66Å; W679-Y782 HydrophobicContact CH2-CG 4.19Å; W679-Y782 AromaticContact CH2-CZ 3.83Å; W679-Y782 HydrophobicContact CZ3-CD1 4.32Å; W679-Y782 AromaticContact CZ3-CD2 3.53Å; W679-Y782 HydrophobicContact CZ3-CD2 3.53Å; W679-Y782 AromaticContact CZ3-CE2 3.83Å; W679-Y782 HydrophobicContact CZ3-CE2 3.83Å; W679-Y782 AromaticContact CZ3-CG 3.78Å; W679-Y782 HydrophobicContact CZ3-CG 3.78Å |
| 680 | L | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | 178 | -63.7 | -175.5 | 0 | 0 | 0 | 112.4 | T607 I610 L645 I648 L676 K677 R683 C684 | T607-L680 HydrophobicContact CG2-CD2 3.99Å; I610-L680 HydrophobicContact CB-CD2 4.27Å; I610-L680 HydrophobicContact CD1-CB 3.95Å; I610-L680 HydrophobicContact CD1-CD1 4.25Å; I610-L680 HydrophobicContact CD1-CD2 3.81Å; I610-L680 HydrophobicContact CD1-CG 4.19Å; I610-L680 HydrophobicContact CG2-CD2 4.33Å; L645-L680 HydrophobicContact CD1-CB 3.71Å; L645-L680 HydrophobicContact CD1-CD1 3.82Å; L645-L680 HydrophobicContact CD1-CG 4.44Å; L645-L680 HydrophobicContact CD2-CB 4.38Å; I648-L680 HydrophobicContact CD1-CD1 3.56Å; L676-L680 HydrophobicContact CD1-CD1 4.47Å; L676-L680 HydrophobicContact CD1-CD2 4.45Å; L676-L680 HydrophobicContact CD1-CG 4.24Å; L676-L680 HydrophobicContact CG-CD1 4.35Å; L676-L680 HydrophobicContact CG-CG 4.46Å; L676-L680 WeakPolarHBondContact O-CG 3.33Å; L676-L680 PolarHBondContact O-N 3.04Å; K677-L680 PolarHBondContact O-N 2.97Å; L680-R683 PolarHBondContact O-N 2.93Å; L680-C684 WeakPolarHBondContact O-CB 3.36Å; L680-C684 PolarHBondContact O-N 2.88Å |
| 681 | N | 90.9 | Very high | 91.2 | Very high | 61 Ų | 61 | 22.2 Ų | 22.2 | 33% | 0.326 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 174.4 | -80.4 | -38 | 0 | 0 | 0 | 111.5 | L645 K677 S678 W679 R683 C684 L685 | L645-N681 WeakPolarHBondContact CD2-OD1 3.25Å; K677-N681 WeakPolarHBondContact O-CB 3.44Å; K677-N681 VanDerWaalsContact O-CG 3.29Å; K677-N681 PolarHBondContact O-N 3.22Å; K677-N681 PolarHBondContact O-ND2 3.23Å; K677-N681 VanDerWaalsContact O-ND2 3.15Å; S678-N681 PolarHBondContact O-N 3Å; W679-N681 VanDerWaalsContact C-N 3.31Å; W679-N681 PolarHBondContact O-N 2.85Å; N681-R683 VanDerWaalsContact C-N 3.31Å; N681-R683 PolarHBondContact O-N 2.94Å; N681-C684 PolarHBondContact O-N 3.05Å; N681-L685 WeakPolarHBondContact O-CB 3.48Å; N681-L685 WeakPolarHBondContact O-CG 3.35Å; N681-L685 PolarHBondContact O-N 2.95Å |
| 682 | I | 90.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 21 Ų | 21 | 6% | 0.062 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.2 | -46 | 177.3 | -66.1 | 162.1 | 0 | 0 | 0 | 110.5 | S678 W679 T686 L737 A779 C783 Y787 | S678-I682 WeakPolarHBondContact O-CG1 3.5Å; S678-I682 PolarHBondContact O-N 3.23Å; S678-I682 VanDerWaalsContact O-N 3.08Å; W679-I682 PolarHBondContact O-N 3.48Å; I682-T686 PolarHBondContact O-N 3.25Å; I682-T686 PolarHBondContact O-OG1 2.91Å; I682-L737 HydrophobicContact CG1-CD1 4.15Å; I682-A779 HydrophobicContact CD1-CB 3.86Å; I682-C783 WeakPolarHBondContact CD1-SG 3.44Å; I682-Y787 HydrophobicContact CG2-CE1 4.22Å |
| 683 | R | 94 | Very high | 91.6 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 178.7 | -64.6 | -57.7 | -154.4 | -168.9 | 16.5 | 112.3 | I610 E611 H614 W679 L680 N681 L685 T686 L687 E885 | I610-R683 HydrophobicContact CG2-CB 3.26Å; I610-R683 HydrophobicContact CG2-CG 3.99Å; E611-R683 WeakPolarHBondContact OE1-CG 3.39Å; E611-R683 IonicContact OE1-CZ 3.47Å; E611-R683 IonicContact OE1-NE 3.96Å; E611-R683 PolarHBondContact OE1-NE 3.48Å; E611-R683 IonicContact OE1-NH2 2.64Å; E611-R683 IonicContact OE2-CZ 3.5Å; E611-R683 IonicContact OE2-NE 3.7Å; E611-R683 IonicContact OE2-NH2 2.62Å; E611-R683 PolarHBondContact OE2-NH2 3.47Å; E611-R683 VanDerWaalsContact OE2-NH2 3.08Å; H614-R683 VanDerWaalsContact CE1-CZ 3.49Å; H614-R683 PolarHBondContact CE1-NH1 2.89Å; H614-R683 PolarHBondContact NE2-NH1 3.49Å; H614-R683 VanDerWaalsContact NE2-NH1 3.1Å; W679-R683 VanDerWaalsContact CZ2-CZ 3.5Å; W679-R683 WeakPolarHBondContact O-CG 3.36Å; W679-R683 PolarHBondContact O-N 3.41Å; W679-R683 VanDerWaalsContact O-N 3.13Å; L680-R683 PolarHBondContact O-N 2.93Å; N681-R683 VanDerWaalsContact C-N 3.31Å; N681-R683 PolarHBondContact O-N 2.94Å; R683-L685 PolarHBondContact O-N 3.29Å; R683-T686 WeakPolarHBondContact O-CB 3.44Å; R683-T686 PolarHBondContact O-N 3.31Å; R683-L687 WeakPolarHBondContact O-CG 3.19Å; R683-L687 PolarHBondContact O-N 3.14Å; R683-E885 IonicContact CZ-OE1 3.32Å; R683-E885 IonicContact CZ-OE2 3.63Å; R683-E885 IonicContact NH1-OE1 2.94Å; R683-E885 IonicContact NH1-OE2 3.49Å; R683-E885 PolarHBondContact NH1-OE2 3.31Å; R683-E885 IonicContact NH2-OE1 2.92Å; R683-E885 PolarHBondContact NH2-OE1 3.38Å; R683-E885 IonicContact NH2-OE2 3.35Å; R683-E885 PolarHBondContact NH2-OE2 3.46Å; R683-E885 VanDerWaalsContact NH2-OE2 3.1Å |
| 684 | C | 92.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.4 | -83 | 0 | 0 | 0 | 0 | 112.4 | I610 L645 L680 N681 T686 L687 N688 | I610-C684 VanDerWaalsContact CD1-SG 3.51Å; L645-C684 HydrophobicContact CD2-CB 4.26Å; L680-C684 WeakPolarHBondContact O-CB 3.36Å; L680-C684 PolarHBondContact O-N 2.88Å; N681-C684 PolarHBondContact O-N 3.05Å; C684-T686 VanDerWaalsContact C-N 3.32Å; C684-T686 PolarHBondContact O-N 3.42Å; C684-L687 PolarHBondContact O-N 2.81Å; C684-N688 WeakPolarHBondContact O-CB 3.22Å; C684-N688 PolarHBondContact O-N 3.44Å; C684-N688 PolarHBondContact O-ND2 3.42Å |
| 685 | L | 91.7 | Very high | 91.5 | Very high | 23 Ų | 23 | 18.6 Ų | 18.6 | 12% | 0.12 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.9 | -70.8 | 173.7 | 0 | 0 | 0 | 111.3 | N681 R683 A689 L730 T733 L737 | N681-L685 WeakPolarHBondContact O-CB 3.48Å; N681-L685 WeakPolarHBondContact O-CG 3.35Å; N681-L685 PolarHBondContact O-N 2.95Å; R683-L685 PolarHBondContact O-N 3.29Å; L685-A689 VanDerWaalsContact O-CB 3.26Å; L685-A689 WeakPolarHBondContact O-CB 3.23Å; L685-A689 PolarHBondContact O-N 3.29Å; L685-L730 HydrophobicContact CD2-CD2 3.32Å; L685-T733 HydrophobicContact CD1-CG2 4.07Å; L685-T733 HydrophobicContact CD2-CG2 3.99Å; L685-L737 HydrophobicContact CD1-CD1 3.34Å; L685-L737 HydrophobicContact CD1-CG 4.3Å |
| 686 | T | 93.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.4 | -50.4 | 175.7 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | I618 I682 R683 C684 N688 A689 I690 Y787 L791 L889 | I618-T686 HydrophobicContact CD1-CG2 3.52Å; I682-T686 PolarHBondContact O-N 3.25Å; I682-T686 PolarHBondContact O-OG1 2.91Å; R683-T686 WeakPolarHBondContact O-CB 3.44Å; R683-T686 PolarHBondContact O-N 3.31Å; C684-T686 VanDerWaalsContact C-N 3.32Å; C684-T686 PolarHBondContact O-N 3.42Å; T686-N688 PolarHBondContact O-N 2.86Å; T686-A689 WeakPolarHBondContact O-CB 3.36Å; T686-A689 PolarHBondContact O-N 2.95Å; T686-I690 WeakPolarHBondContact O-CG1 3.17Å; T686-I690 PolarHBondContact O-N 3.24Å; T686-Y787 HydrophobicContact CG2-CE1 4.4Å; T686-Y787 VanDerWaalsContact CG2-OH 3.31Å; T686-Y787 WeakPolarHBondContact CG2-OH 3.48Å; T686-Y787 PolarHBondContact OG1-OH 3.17Å; T686-L791 HydrophobicContact CG2-CD1 4.08Å; T686-L791 HydrophobicContact CG2-CD2 3.98Å; T686-L889 HydrophobicContact CG2-CD1 4.03Å; T686-L889 HydrophobicContact CG2-CD2 4.3Å |
| 687 | L | 94.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | -179.3 | -74.1 | 173.8 | 0 | 0 | 0 | 111.9 | L613 L617 I618 I638 R683 C684 A689 I690 V691 | L613-L687 HydrophobicContact CB-CD1 3.8Å; L613-L687 HydrophobicContact CB-CD2 4.49Å; L617-L687 HydrophobicContact CB-CD2 4.25Å; L617-L687 HydrophobicContact CD1-CD2 3.89Å; I618-L687 HydrophobicContact CD1-CD2 4.08Å; I638-L687 HydrophobicContact CD1-CB 4.22Å; I638-L687 HydrophobicContact CG1-CB 4.39Å; I638-L687 HydrophobicContact CG1-CD1 4.45Å; I638-L687 HydrophobicContact CG2-CB 4.24Å; R683-L687 WeakPolarHBondContact O-CG 3.19Å; R683-L687 PolarHBondContact O-N 3.14Å; C684-L687 PolarHBondContact O-N 2.81Å; L687-A689 PolarHBondContact O-N 2.82Å; L687-I690 PolarHBondContact O-N 2.63Å; L687-V691 WeakPolarHBondContact O-CG2 3.15Å; L687-V691 PolarHBondContact O-N 2.9Å |
| 688 | N | 92.8 | Very high | 91 | Very high | 12 Ų | 12 | 18 Ų | 18 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.4 | -76.4 | -44.7 | 0 | 0 | 0 | 111.7 | I638 T642 C684 T686 I690 V691 Y692 L730 | I638-N688 WeakPolarHBondContact CG2-OD1 3.34Å; T642-N688 PolarHBondContact OG1-ND2 3.43Å; T642-N688 VanDerWaalsContact OG1-ND2 3.11Å; C684-N688 WeakPolarHBondContact O-CB 3.22Å; C684-N688 PolarHBondContact O-N 3.44Å; C684-N688 PolarHBondContact O-ND2 3.42Å; T686-N688 PolarHBondContact O-N 2.86Å; N688-I690 VanDerWaalsContact C-N 3.33Å; N688-I690 PolarHBondContact O-N 3.38Å; N688-V691 PolarHBondContact O-N 3.28Å; N688-Y692 HydrophobicContact CB-CD2 4.45Å; N688-Y692 HydrophobicContact CB-CE2 4.17Å; N688-Y692 WeakPolarHBondContact O-CD2 3.42Å; N688-Y692 PolarHBondContact O-N 3.44Å; N688-L730 HydrophobicContact CB-CD1 4.09Å; N688-L730 HydrophobicContact CB-CD2 4.33Å |
| 689 | A | 91.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 3% | 0.025 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L685 T686 L687 Y692 A693 L727 L730 L791 I795 | L685-A689 VanDerWaalsContact O-CB 3.26Å; L685-A689 WeakPolarHBondContact O-CB 3.23Å; L685-A689 PolarHBondContact O-N 3.29Å; T686-A689 WeakPolarHBondContact O-CB 3.36Å; T686-A689 PolarHBondContact O-N 2.95Å; L687-A689 PolarHBondContact O-N 2.82Å; A689-Y692 PolarHBondContact O-N 3.2Å; A689-A693 WeakPolarHBondContact O-CB 3.4Å; A689-A693 PolarHBondContact O-N 2.85Å; A689-L727 HydrophobicContact CB-CD2 4.38Å; A689-L730 HydrophobicContact CB-CD1 4.22Å; A689-L791 HydrophobicContact CB-CD1 4Å; A689-I795 HydrophobicContact CB-CD1 3.65Å; A689-I795 HydrophobicContact CB-CG1 4.19Å |
| 690 | I | 92.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.015 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 176.3 | -64.6 | -60.1 | 0 | 0 | 0 | 111.8 | I618 L627 T686 L687 N688 T694 L889 L892 L893 M896 | I618-I690 HydrophobicContact CD1-CG1 4.42Å; I618-I690 HydrophobicContact CG1-CG1 4.4Å; L627-I690 HydrophobicContact CD1-CG2 4.43Å; L627-I690 HydrophobicContact CD2-CG2 3.7Å; T686-I690 WeakPolarHBondContact O-CG1 3.17Å; T686-I690 PolarHBondContact O-N 3.24Å; L687-I690 PolarHBondContact O-N 2.63Å; N688-I690 VanDerWaalsContact C-N 3.33Å; N688-I690 PolarHBondContact O-N 3.38Å; I690-T694 WeakPolarHBondContact O-CB 3.41Å; I690-T694 PolarHBondContact O-N 3.32Å; I690-T694 PolarHBondContact O-OG1 2.6Å; I690-L889 HydrophobicContact CD1-CD1 3.96Å; I690-L889 HydrophobicContact CG1-CD1 4.46Å; I690-L892 HydrophobicContact CD1-CD2 4.12Å; I690-L892 HydrophobicContact CG2-CD2 4.21Å; I690-L893 HydrophobicContact CD1-CD2 3.94Å; I690-L893 HydrophobicContact CD1-CG 4.41Å; I690-M896 HydrophobicContact CD1-SD 4.29Å |
| 691 | V | 91.2 | Very high | 89.8 | Confident | 9 Ų | 9 | 18.6 Ų | 18.6 | 6% | 0.055 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L631 K635 I638 L687 N688 T694 S695 | L631-V691 HydrophobicContact CD1-CG2 3.82Å; K635-V691 HydrophobicContact CD-CG1 4.09Å; K635-V691 HydrophobicContact CG-CG1 4.18Å; I638-V691 HydrophobicContact CD1-CG2 3.67Å; L687-V691 WeakPolarHBondContact O-CG2 3.15Å; L687-V691 PolarHBondContact O-N 2.9Å; N688-V691 PolarHBondContact O-N 3.28Å; V691-T694 WeakPolarHBondContact O-CB 3.4Å; V691-T694 PolarHBondContact O-N 3.16Å; V691-S695 PolarHBondContact O-N 2.89Å |
| 692 | Y | 90.5 | Very high | 89.3 | Confident | 62 Ų | 62 | 21.5 Ų | 21.5 | 24% | 0.243 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71 | -39 | -179.2 | -66.1 | -61.1 | 0 | 0 | 0 | 112.4 | N688 A689 T694 S695 L696 A723 L730 | N688-Y692 HydrophobicContact CB-CD2 4.45Å; N688-Y692 HydrophobicContact CB-CE2 4.17Å; N688-Y692 WeakPolarHBondContact O-CD2 3.42Å; N688-Y692 PolarHBondContact O-N 3.44Å; A689-Y692 PolarHBondContact O-N 3.2Å; Y692-T694 VanDerWaalsContact C-N 3.26Å; Y692-T694 PolarHBondContact O-N 3.21Å; Y692-S695 WeakPolarHBondContact O-CB 3.44Å; Y692-S695 PolarHBondContact O-N 3.3Å; Y692-L696 PolarHBondContact O-N 3.47Å; Y692-A723 HydrophobicContact CD1-CB 4.48Å; Y692-L730 HydrophobicContact CD2-CD1 3.64Å; Y692-L730 HydrophobicContact CE2-CD1 4.01Å |
| 693 | A | 90.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A689 S695 L696 V697 I798 M896 | A689-A693 WeakPolarHBondContact O-CB 3.4Å; A689-A693 PolarHBondContact O-N 2.85Å; A693-S695 PolarHBondContact O-N 2.98Å; A693-L696 PolarHBondContact O-N 3.42Å; A693-V697 VanDerWaalsContact O-CG2 3.28Å; A693-V697 WeakPolarHBondContact O-CG2 3.41Å; A693-V697 PolarHBondContact O-N 2.9Å; A693-I798 HydrophobicContact CB-CD1 3.8Å; A693-M896 HydrophobicContact CB-CE 3.48Å; A693-M896 VanDerWaalsContact CB-CE 3.48Å |
| 694 | T | 90.1 | Very high | 87.4 | Confident | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | F624 L628 L631 I690 V691 Y692 L696 V697 M698 M896 | F624-T694 HydrophobicContact CE2-CG2 3.58Å; F624-T694 HydrophobicContact CZ-CG2 3.78Å; L628-T694 HydrophobicContact CD2-CG2 3.41Å; L628-T694 VanDerWaalsContact CD2-CG2 3.41Å; L628-T694 HydrophobicContact CG-CG2 4.45Å; L631-T694 HydrophobicContact CD2-CG2 3.49Å; L631-T694 VanDerWaalsContact CD2-CG2 3.49Å; I690-T694 WeakPolarHBondContact O-CB 3.41Å; I690-T694 PolarHBondContact O-N 3.32Å; I690-T694 PolarHBondContact O-OG1 2.6Å; V691-T694 WeakPolarHBondContact O-CB 3.4Å; V691-T694 PolarHBondContact O-N 3.16Å; Y692-T694 VanDerWaalsContact C-N 3.26Å; Y692-T694 PolarHBondContact O-N 3.21Å; T694-L696 PolarHBondContact O-N 2.98Å; T694-V697 PolarHBondContact O-N 3.4Å; T694-M698 WeakPolarHBondContact O-CG 3.42Å; T694-M698 PolarHBondContact O-N 2.94Å; T694-M896 VanDerWaalsContact N-CE 3.3Å |
| 695 | S | 87.4 | Confident | 86.5 | Confident | 56 Ų | 56 | 28.5 Ų | 28.5 | 39% | 0.392 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.7 | -35.9 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | V691 Y692 A693 S699 | V691-S695 PolarHBondContact O-N 2.89Å; Y692-S695 WeakPolarHBondContact O-CB 3.44Å; Y692-S695 PolarHBondContact O-N 3.3Å; A693-S695 PolarHBondContact O-N 2.98Å; S695-S699 PolarHBondContact O-N 3.12Å |
| 696 | L | 86.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.7 | -41.7 | -179.2 | -162.1 | 64.4 | 0 | 0 | 0 | 111.8 | Y692 A693 T694 M698 S699 I700 P720 V724 L727 I798 L799 H802 | Y692-L696 PolarHBondContact O-N 3.47Å; A693-L696 PolarHBondContact O-N 3.42Å; T694-L696 PolarHBondContact O-N 2.98Å; L696-M698 VanDerWaalsContact C-N 3.29Å; L696-M698 PolarHBondContact O-N 3.3Å; L696-S699 PolarHBondContact O-N 2.84Å; L696-S699 VanDerWaalsContact O-N 3.12Å; L696-S699 PolarHBondContact O-OG 3.41Å; L696-I700 VanDerWaalsContact O-CG1 3.29Å; L696-I700 WeakPolarHBondContact O-CG1 3.42Å; L696-I700 PolarHBondContact O-N 3.46Å; L696-P720 HydrophobicContact CD1-CG 4.44Å; L696-V724 HydrophobicContact CD1-CG2 3.79Å; L696-L727 HydrophobicContact CD2-CD1 3.79Å; L696-I798 HydrophobicContact CB-CG2 4.23Å; L696-I798 HydrophobicContact CD2-CG2 3.81Å; L696-I798 HydrophobicContact CG-CG2 4.23Å; L696-L799 HydrophobicContact CD2-CD2 3.88Å; L696-L799 HydrophobicContact CD2-CG 4.49Å; L696-H802 HydrophobicContact CD1-CB 3.97Å; L696-H802 WeakPolarHBondContact CD1-CD2 3.22Å; L696-H802 VanDerWaalsContact CD1-CG 3.45Å; L696-H802 HydrophobicContact CD2-CB 3.89Å; L696-H802 HydrophobicContact CG-CB 3.88Å |
| 697 | V | 87.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | F624 A693 T694 S699 I700 V701 I798 M896 A900 | F624-V697 HydrophobicContact CD1-CG1 4.35Å; F624-V697 HydrophobicContact CE1-CB 4.48Å; F624-V697 HydrophobicContact CE1-CG1 3.6Å; F624-V697 HydrophobicContact CE2-CG1 4.5Å; F624-V697 HydrophobicContact CZ-CB 4.06Å; F624-V697 HydrophobicContact CZ-CG1 3.67Å; A693-V697 VanDerWaalsContact O-CG2 3.28Å; A693-V697 WeakPolarHBondContact O-CG2 3.41Å; A693-V697 PolarHBondContact O-N 2.9Å; T694-V697 PolarHBondContact O-N 3.4Å; V697-S699 VanDerWaalsContact C-N 3.28Å; V697-S699 PolarHBondContact O-N 3.46Å; V697-I700 PolarHBondContact O-N 3.42Å; V697-V701 HydrophobicContact CG1-CG2 4.47Å; V697-V701 WeakPolarHBondContact O-CG2 3.31Å; V697-V701 PolarHBondContact O-N 3.48Å; V697-I798 HydrophobicContact CG2-CD1 4.48Å; V697-I798 HydrophobicContact CG2-CG2 4.05Å; V697-M896 WeakPolarHBondContact CG1-O 3.43Å; V697-M896 HydrophobicContact CG2-CB 4.08Å; V697-M896 HydrophobicContact CG2-CE 4.09Å; V697-A900 HydrophobicContact CG1-CB 4.12Å |
| 698 | M | 87.7 | Confident | 82.8 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.6 | -28.8 | 177.2 | -69.2 | -57.7 | -64.6 | 0 | 0 | 113.5 | F624 L628 T694 L696 K702 | F624-M698 HydrophobicContact CE1-SD 4.12Å; F624-M698 HydrophobicContact CZ-CG 4.39Å; F624-M698 HydrophobicContact CZ-SD 4.28Å; L628-M698 HydrophobicContact CD1-SD 4.04Å; L628-M698 HydrophobicContact CD2-CG 4.39Å; L628-M698 HydrophobicContact CD2-SD 4.38Å; T694-M698 WeakPolarHBondContact O-CG 3.42Å; T694-M698 PolarHBondContact O-N 2.94Å; L696-M698 VanDerWaalsContact C-N 3.29Å; L696-M698 PolarHBondContact O-N 3.3Å; M698-K702 WeakPolarHBondContact O-CG 3.36Å; M698-K702 PolarHBondContact O-N 3.28Å |
| 699 | S | 82.4 | Confident | 81.4 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.7 | -41.3 | 172.5 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | S695 L696 V697 V701 K702 V703 | S695-S699 PolarHBondContact O-N 3.12Å; L696-S699 PolarHBondContact O-N 2.84Å; L696-S699 VanDerWaalsContact O-N 3.12Å; L696-S699 PolarHBondContact O-OG 3.41Å; V697-S699 VanDerWaalsContact C-N 3.28Å; V697-S699 PolarHBondContact O-N 3.46Å; S699-V701 PolarHBondContact O-N 3.19Å; S699-K702 PolarHBondContact O-N 2.86Å; S699-V703 WeakPolarHBondContact O-CG2 3.48Å; S699-V703 PolarHBondContact O-N 3.48Å |
| 700 | I | 82.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 176.4 | -64.4 | 164.9 | 0 | 0 | 0 | 110.8 | L696 V697 K702 V703 E704 L801 H802 V805 A900 | L696-I700 VanDerWaalsContact O-CG1 3.29Å; L696-I700 WeakPolarHBondContact O-CG1 3.42Å; L696-I700 PolarHBondContact O-N 3.46Å; V697-I700 PolarHBondContact O-N 3.42Å; I700-K702 VanDerWaalsContact C-N 3.26Å; I700-K702 PolarHBondContact O-N 3.44Å; I700-V703 PolarHBondContact O-N 3.29Å; I700-V703 VanDerWaalsContact O-N 3.14Å; I700-E704 HydrophobicContact CG2-CG 4.33Å; I700-E704 PolarHBondContact O-N 3.36Å; I700-L801 HydrophobicContact CD1-CB 4.19Å; I700-L801 HydrophobicContact CD1-CD2 3.96Å; I700-L801 HydrophobicContact CD1-CG 4.06Å; I700-L801 HydrophobicContact CG2-CD2 4.18Å; I700-L801 HydrophobicContact CG2-CG 4.31Å; I700-H802 HydrophobicContact CD1-CB 3.95Å; I700-H802 HydrophobicContact CG1-CB 4.12Å; I700-V805 HydrophobicContact CG2-CG2 4.38Å; I700-A900 HydrophobicContact CB-CB 4.39Å; I700-A900 HydrophobicContact CG2-CB 3.97Å |
| 701 | V | 83.4 | Confident | 77.2 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 24% | 0.242 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.9 | -42.1 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | V697 S699 H705 S899 P903 | V697-V701 HydrophobicContact CG1-CG2 4.47Å; V697-V701 WeakPolarHBondContact O-CG2 3.31Å; V697-V701 PolarHBondContact O-N 3.48Å; S699-V701 PolarHBondContact O-N 3.19Å; V701-H705 WeakPolarHBondContact O-CB 3.45Å; V701-H705 PolarHBondContact O-N 3.34Å; V701-S899 WeakPolarHBondContact CG2-O 3.27Å; V701-P903 HydrophobicContact CG1-CG 4.04Å |
| 702 | K | 80.7 | Confident | 75 | Confident | 122 Ų | 122 | 63.9 Ų | 63.9 | 53% | 0.53 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -50.2 | 177.6 | -72.6 | 174.3 | -177.4 | -178.1 | 0 | 111 | M698 S699 I700 H705 Y706 | M698-K702 WeakPolarHBondContact O-CG 3.36Å; M698-K702 PolarHBondContact O-N 3.28Å; S699-K702 PolarHBondContact O-N 2.86Å; I700-K702 VanDerWaalsContact C-N 3.26Å; I700-K702 PolarHBondContact O-N 3.44Å; K702-H705 PolarHBondContact O-N 3.43Å; K702-Y706 HydrophobicContact CB-CE2 4.38Å; K702-Y706 WeakPolarHBondContact O-CD2 3.4Å; K702-Y706 PolarHBondContact O-N 3.11Å |
| 703 | V | 75.2 | Confident | 72.6 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | -177.6 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | S699 I700 H705 Y706 M707 V805 | S699-V703 WeakPolarHBondContact O-CG2 3.48Å; S699-V703 PolarHBondContact O-N 3.48Å; I700-V703 PolarHBondContact O-N 3.29Å; I700-V703 VanDerWaalsContact O-N 3.14Å; V703-H705 VanDerWaalsContact C-N 3.34Å; V703-H705 PolarHBondContact O-N 3.17Å; V703-Y706 PolarHBondContact O-N 3.4Å; V703-M707 HydrophobicContact CG1-CG 4.49Å; V703-M707 WeakPolarHBondContact O-CG 3.47Å; V703-M707 PolarHBondContact O-N 3.38Å; V703-V805 HydrophobicContact CB-CG1 3.52Å; V703-V805 HydrophobicContact CG1-CG1 3.24Å; V703-V805 HydrophobicContact CG2-CG1 4.41Å |
| 704 | E | 70.2 | Confident | 70.3 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 3% | 0.033 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 174.1 | -77.8 | -159.3 | 174.7 | 0 | 0 | 112.1 | I700 Y706 M707 M708 A900 P903 | I700-E704 HydrophobicContact CG2-CG 4.33Å; I700-E704 PolarHBondContact O-N 3.36Å; E704-Y706 VanDerWaalsContact C-N 3.3Å; E704-Y706 PolarHBondContact O-N 2.84Å; E704-M707 PolarHBondContact O-N 3.35Å; E704-M708 WeakPolarHBondContact O-CG 3.29Å; E704-M708 PolarHBondContact O-N 2.93Å; E704-M708 VanDerWaalsContact O-N 3.15Å; E704-A900 VanDerWaalsContact OE2-O 3.13Å; E704-P903 HydrophobicContact CB-CB 4.06Å; E704-P903 HydrophobicContact CB-CG 4.08Å |
| 705 | H | 72.3 | Confident | 68.1 | Low | 124 Ų | 124 | 84.4 Ų | 84.4 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 177.4 | -166.6 | 70.7 | 0 | 0 | 0 | 111.7 | V701 K702 V703 M708 S709 | V701-H705 WeakPolarHBondContact O-CB 3.45Å; V701-H705 PolarHBondContact O-N 3.34Å; K702-H705 PolarHBondContact O-N 3.43Å; V703-H705 VanDerWaalsContact C-N 3.34Å; V703-H705 PolarHBondContact O-N 3.17Å; H705-M708 PolarHBondContact O-N 3.37Å; H705-S709 PolarHBondContact O-N 2.93Å; H705-S709 VanDerWaalsContact O-N 3.1Å |
| 706 | Y | 70.5 | Confident | 65.9 | Low | 138 Ų | 138 | 86 Ų | 86 | 54% | 0.541 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 174.6 | -75.4 | -64.5 | 0 | 0 | 0 | 112.5 | K702 V703 E704 M708 S709 | K702-Y706 HydrophobicContact CB-CE2 4.38Å; K702-Y706 WeakPolarHBondContact O-CD2 3.4Å; K702-Y706 PolarHBondContact O-N 3.11Å; V703-Y706 PolarHBondContact O-N 3.4Å; E704-Y706 VanDerWaalsContact C-N 3.3Å; E704-Y706 PolarHBondContact O-N 2.84Å; Y706-M708 PolarHBondContact O-N 3.48Å; Y706-S709 PolarHBondContact O-N 3.37Å; Y706-S709 VanDerWaalsContact O-N 3.09Å; Y706-S709 PolarHBondContact O-OG 3.25Å |
| 707 | M | 67.4 | Low | 63.8 | Low | 79 Ų | 79 | 94.5 Ų | 94.5 | 39% | 0.389 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -28.8 | 177.4 | -69.1 | -159.7 | 109.9 | 0 | 0 | 113.1 | V703 E704 I934 | V703-M707 HydrophobicContact CG1-CG 4.49Å; V703-M707 WeakPolarHBondContact O-CG 3.47Å; V703-M707 PolarHBondContact O-N 3.38Å; E704-M707 PolarHBondContact O-N 3.35Å; M707-I934 HydrophobicContact CE-CD1 4.38Å |
| 708 | M | 65.5 | Low | 62.2 | Low | 55 Ų | 55 | 101.4 Ų | 101.4 | 27% | 0.271 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -85.4 | -21.5 | 177.2 | -61 | -62.7 | 88.4 | 0 | 0 | 113.4 | E704 H705 Y706 Y907 L935 | E704-M708 WeakPolarHBondContact O-CG 3.29Å; E704-M708 PolarHBondContact O-N 2.93Å; E704-M708 VanDerWaalsContact O-N 3.15Å; H705-M708 PolarHBondContact O-N 3.37Å; Y706-M708 PolarHBondContact O-N 3.48Å; M708-Y907 HydrophobicContact SD-CD1 4.38Å; M708-Y907 HydrophobicContact SD-CD2 4.18Å; M708-Y907 HydrophobicContact SD-CG 4.06Å; M708-L935 HydrophobicContact CE-CD1 3.79Å; M708-L935 HydrophobicContact CE-CD2 3.48Å; M708-L935 VanDerWaalsContact CE-CD2 3.48Å; M708-L935 HydrophobicContact CE-CG 4.26Å; M708-L935 HydrophobicContact SD-CD2 4.4Å |
| 709 | S | 62.4 | Low | 60.5 | Low | 40 Ų | 40 | 101 Ų | 101 | 28% | 0.28 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -84.8 | 138.2 | 174.4 | 74 | 0 | 0 | 0 | 0 | 111 | H705 Y706 N711 | H705-S709 PolarHBondContact O-N 2.93Å; H705-S709 VanDerWaalsContact O-N 3.1Å; Y706-S709 PolarHBondContact O-N 3.37Å; Y706-S709 VanDerWaalsContact O-N 3.09Å; Y706-S709 PolarHBondContact O-OG 3.25Å; S709-N711 PolarHBondContact O-N 3.04Å |
| 710 | E | 52.2 | Low | 59.6 | Low | 187 Ų | 187 | 101.9 Ų | 101.9 | 87% | 0.874 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -64 | -3.2 | -176.2 | -69.2 | -176.6 | 154.2 | 0 | 0 | 114.9 | Q712 | E710-Q712 PolarHBondContact O-N 3.07Š|
| 711 | N | 45 | Very low | 59.1 | Low | 135 Ų | 135 | 105.3 Ų | 105.3 | 72% | 0.722 | 54% | 0.539 | S | S | * | . | trans | -88.2 | 83 | -177.7 | -72.4 | -14.8 | 0 | 0 | 0 | 112 | S709 H713 | S709-N711 PolarHBondContact O-N 3.04Å; N711-H713 VanDerWaalsContact C-N 3.26Å; N711-H713 PolarHBondContact O-N 3.34Å; N711-H713 VanDerWaalsContact O-N 3.16Å | ||
| 712 | Q | 44.9 | Very low | 59 | Low | 163 Ų | 163 | 110.2 Ų | 110.2 | 76% | 0.762 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 12.6 | -177.1 | -68.8 | -166 | -21.8 | 0 | 0 | 116.6 | E710 | E710-Q712 PolarHBondContact O-N 3.07Š|
| 713 | H | 39.9 | Very low | 59.1 | Low | 182 Ų | 182 | 104.7 Ų | 104.7 | 84% | 0.843 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 2.9 | -162.4 | -94.8 | -58.8 | 0 | 0 | 0 | 119.3 | N711 | N711-H713 VanDerWaalsContact C-N 3.26Å; N711-H713 PolarHBondContact O-N 3.34Å; N711-H713 VanDerWaalsContact O-N 3.16Å |
| 714 | E | 42.8 | Very low | 59.5 | Low | 180 Ų | 180 | 104 Ų | 104 | 84% | 0.841 | 53% | 0.532 | S | S | * | . | trans | -135.7 | 58.6 | 175.4 | -70.8 | -176.4 | 171.4 | 0 | 0 | 112.7 | A716 | E714-A716 PolarHBondContact O-N 2.89Š| ||
| 715 | I | 42.7 | Very low | 60.2 | Low | 136 Ų | 136 | 110.7 Ų | 110.7 | 70% | 0.697 | 56% | 0.561 | S | S | * | * | trans | -92.1 | 88.4 | 167.2 | -53.3 | 173.2 | 0 | 0 | 0 | 107.6 | ||||
| 716 | A | 41.2 | Very low | 60.9 | Low | 91 Ų | 91 | 105.7 Ų | 105.7 | 75% | 0.752 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -161.2 | -36.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | E714 | E714-A716 PolarHBondContact O-N 2.89Š|
| 717 | E | 43.9 | Very low | 61.6 | Low | 178 Ų | 178 | 99.1 Ų | 99.1 | 83% | 0.832 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -117.1 | 95.6 | -167.6 | -68.8 | -172.8 | 172.8 | 0 | 0 | 111.3 | ||
| 718 | N | 52.8 | Low | 62.6 | Low | 146 Ų | 146 | 99.2 Ų | 99.2 | 78% | 0.781 | 52% | 0.516 | S | S | * | . | trans | 163.7 | 19.8 | 148.8 | -84.2 | -38.5 | 0 | 0 | 0 | 114 | P720 | N718-P720 WeakPolarHBondContact O-CD 3.49Å; N718-P720 VanDerWaalsContact O-N 3.11Å | ||
| 719 | V | 53.3 | Low | 63.7 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | trans | -61.5 | 114.7 | 168.1 | 175.2 | 0 | 0 | 0 | 0 | 108 | S721 H802 | V719-S721 PolarHBondContact O-N 3.46Å; V719-H802 VanDerWaalsContact CG1-CE1 3.42Å; V719-H802 WeakPolarHBondContact CG1-CE1 3.42Å | ||
| 720 | P | 63.3 | Low | 64.9 | Low | 33 Ų | 33 | 98.3 Ų | 98.3 | 21% | 0.214 | 51% | 0.514 | C | S | . | . | trans | -73.5 | 82.2 | -178.5 | 28.7 | -30.1 | 0 | 0 | 0 | 109.2 | L696 N718 E722 A723 V724 | L696-P720 HydrophobicContact CD1-CG 4.44Å; N718-P720 WeakPolarHBondContact O-CD 3.49Å; N718-P720 VanDerWaalsContact O-N 3.11Å; P720-E722 PolarHBondContact O-N 2.81Å; P720-A723 HydrophobicContact CB-CB 4.08Å; P720-A723 HydrophobicContact CG-CB 4.19Å; P720-A723 PolarHBondContact O-N 2.93Å; P720-V724 PolarHBondContact O-N 2.95Å | ||
| 721 | S | 70.9 | Confident | 66.4 | Low | 72 Ų | 72 | 90.4 Ų | 90.4 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.8 | -26.6 | 179.3 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | V719 K725 | V719-S721 PolarHBondContact O-N 3.46Å; S721-K725 WeakPolarHBondContact O-CB 3.35Å; S721-K725 VanDerWaalsContact O-CG 3.25Å; S721-K725 WeakPolarHBondContact O-CG 3.44Å; S721-K725 PolarHBondContact O-N 3.4Å |
| 722 | E | 82.9 | Confident | 68.3 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.8 | -39 | 175.4 | -168.5 | 175.3 | -173.3 | 0 | 0 | 112.9 | P720 K725 S726 | P720-E722 PolarHBondContact O-N 2.81Å; E722-K725 PolarHBondContact O-N 3.11Å; E722-S726 VanDerWaalsContact O-CB 3.29Å; E722-S726 WeakPolarHBondContact O-CB 3.31Å; E722-S726 PolarHBondContact O-N 3.01Å; E722-S726 PolarHBondContact O-OG 3.03Å |
| 723 | A | 81.2 | Confident | 70.2 | Confident | 5 Ų | 5 | 83 Ų | 83 | 4% | 0.041 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y692 P720 S726 L727 | Y692-A723 HydrophobicContact CD1-CB 4.48Å; P720-A723 HydrophobicContact CB-CB 4.08Å; P720-A723 HydrophobicContact CG-CB 4.19Å; P720-A723 PolarHBondContact O-N 2.93Å; A723-S726 PolarHBondContact O-N 3.17Å; A723-L727 WeakPolarHBondContact O-CB 3.49Å; A723-L727 WeakPolarHBondContact O-CG 3.29Å; A723-L727 PolarHBondContact O-N 3.34Å |
| 724 | V | 83.3 | Confident | 72.2 | Confident | 24 Ų | 24 | 74.8 Ų | 74.8 | 15% | 0.145 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L696 P720 S726 L727 N728 L799 | L696-V724 HydrophobicContact CD1-CG2 3.79Å; P720-V724 PolarHBondContact O-N 2.95Å; V724-S726 PolarHBondContact O-N 2.73Å; V724-L727 PolarHBondContact O-N 2.98Å; V724-N728 WeakPolarHBondContact O-CB 3.22Å; V724-N728 PolarHBondContact O-N 2.91Å; V724-N728 PolarHBondContact O-ND2 3.16Å; V724-L799 HydrophobicContact CB-CD2 4.42Å; V724-L799 HydrophobicContact CG1-CD2 4.06Å; V724-L799 HydrophobicContact CG2-CD2 4.42Å |
| 725 | K | 86.3 | Confident | 73.9 | Confident | 146 Ų | 146 | 68.9 Ų | 68.9 | 64% | 0.635 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 176.3 | -74.6 | 173.4 | -177.3 | 176.7 | 0 | 111.9 | S721 E722 N728 S729 | S721-K725 WeakPolarHBondContact O-CB 3.35Å; S721-K725 VanDerWaalsContact O-CG 3.25Å; S721-K725 WeakPolarHBondContact O-CG 3.44Å; S721-K725 PolarHBondContact O-N 3.4Å; E722-K725 PolarHBondContact O-N 3.11Å; K725-N728 PolarHBondContact O-N 3.28Å; K725-S729 PolarHBondContact O-N 3.17Å |
| 726 | S | 86.6 | Confident | 75.5 | Confident | 20 Ų | 20 | 64 Ų | 64 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.9 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | E722 A723 V724 S729 L730 | E722-S726 VanDerWaalsContact O-CB 3.29Å; E722-S726 WeakPolarHBondContact O-CB 3.31Å; E722-S726 PolarHBondContact O-N 3.01Å; E722-S726 PolarHBondContact O-OG 3.03Å; A723-S726 PolarHBondContact O-N 3.17Å; V724-S726 PolarHBondContact O-N 2.73Å; S726-S729 PolarHBondContact O-N 3.37Å; S726-S729 PolarHBondContact O-OG 2.96Å; S726-L730 WeakPolarHBondContact O-CB 3.5Å; S726-L730 WeakPolarHBondContact O-CG 3.19Å; S726-L730 PolarHBondContact O-N 3.49Å |
| 727 | L | 86.2 | Confident | 77 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 176.3 | -75.4 | 172.7 | 0 | 0 | 0 | 112.2 | A689 L696 A723 V724 S729 L730 L731 I795 L799 | A689-L727 HydrophobicContact CB-CD2 4.38Å; L696-L727 HydrophobicContact CD2-CD1 3.79Å; A723-L727 WeakPolarHBondContact O-CB 3.49Å; A723-L727 WeakPolarHBondContact O-CG 3.29Å; A723-L727 PolarHBondContact O-N 3.34Å; V724-L727 PolarHBondContact O-N 2.98Å; L727-S729 VanDerWaalsContact C-N 3.35Å; L727-L730 HydrophobicContact CD2-CD1 4.43Å; L727-L730 PolarHBondContact O-N 3.19Å; L727-L731 WeakPolarHBondContact O-CB 3.42Å; L727-L731 PolarHBondContact O-N 2.92Å; L727-I795 HydrophobicContact CB-CG2 4.02Å; L727-I795 HydrophobicContact CD2-CG1 4.29Å; L727-I795 HydrophobicContact CD2-CG2 4.01Å; L727-I795 HydrophobicContact CG-CG2 4.44Å; L727-L799 HydrophobicContact CB-CD1 4.1Å; L727-L799 HydrophobicContact CB-CD2 4.06Å; L727-L799 HydrophobicContact CB-CG 4.29Å; L727-L799 HydrophobicContact CD1-CD2 4.06Å; L727-L799 HydrophobicContact CD1-CG 4.32Å |
| 728 | N | 87.3 | Confident | 78.2 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 174.3 | -77.3 | -48.2 | 0 | 0 | 0 | 112.3 | V724 K725 L731 S732 | V724-N728 WeakPolarHBondContact O-CB 3.22Å; V724-N728 PolarHBondContact O-N 2.91Å; V724-N728 PolarHBondContact O-ND2 3.16Å; K725-N728 PolarHBondContact O-N 3.28Å; N728-L731 PolarHBondContact O-N 3.43Å; N728-S732 PolarHBondContact O-N 2.85Å; N728-S732 VanDerWaalsContact O-N 3.08Å |
| 729 | S | 88.2 | Confident | 78.9 | Confident | 58 Ų | 58 | 51.6 Ų | 51.6 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.2 | -34.5 | 175.3 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | K725 S726 L727 S732 T733 | K725-S729 PolarHBondContact O-N 3.17Å; S726-S729 PolarHBondContact O-N 3.37Å; S726-S729 PolarHBondContact O-OG 2.96Å; L727-S729 VanDerWaalsContact C-N 3.35Å; S729-S732 PolarHBondContact O-N 3.48Å; S729-S732 PolarHBondContact O-OG 2.87Å; S729-T733 WeakPolarHBondContact O-CB 3.3Å; S729-T733 PolarHBondContact O-N 3.1Å; S729-T733 PolarHBondContact O-OG1 3.41Å |
| 730 | L | 87.1 | Confident | 79.5 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 173.7 | -72.8 | 171.6 | 0 | 0 | 0 | 111.1 | L685 N688 A689 Y692 S726 L727 S732 T733 L734 | L685-L730 HydrophobicContact CD2-CD2 3.32Å; N688-L730 HydrophobicContact CB-CD1 4.09Å; N688-L730 HydrophobicContact CB-CD2 4.33Å; A689-L730 HydrophobicContact CB-CD1 4.22Å; Y692-L730 HydrophobicContact CD2-CD1 3.64Å; Y692-L730 HydrophobicContact CE2-CD1 4.01Å; S726-L730 WeakPolarHBondContact O-CB 3.5Å; S726-L730 WeakPolarHBondContact O-CG 3.19Å; S726-L730 PolarHBondContact O-N 3.49Å; L727-L730 HydrophobicContact CD2-CD1 4.43Å; L727-L730 PolarHBondContact O-N 3.19Å; L730-S732 PolarHBondContact O-N 2.92Å; L730-T733 PolarHBondContact O-N 3.32Å; L730-L734 WeakPolarHBondContact O-CB 3.43Å; L730-L734 PolarHBondContact O-N 3.47Å |
| 731 | L | 85.6 | Confident | 79.7 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 176.6 | -170.1 | 68.9 | 0 | 0 | 0 | 111.3 | L727 N728 L734 N735 E796 | L727-L731 WeakPolarHBondContact O-CB 3.42Å; L727-L731 PolarHBondContact O-N 2.92Å; N728-L731 PolarHBondContact O-N 3.43Å; L731-L734 PolarHBondContact O-N 3.36Å; L731-N735 VanDerWaalsContact O-CG 3.3Å; L731-N735 PolarHBondContact O-N 2.93Å; L731-N735 PolarHBondContact O-ND2 3.19Å; L731-E796 HydrophobicContact CD1-CG 4.37Å; L731-E796 HydrophobicContact CD2-CG 3.83Å |
| 732 | S | 84 | Confident | 79.7 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.7 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | N728 S729 L730 N735 G736 | N728-S732 PolarHBondContact O-N 2.85Å; N728-S732 VanDerWaalsContact O-N 3.08Å; S729-S732 PolarHBondContact O-N 3.48Å; S729-S732 PolarHBondContact O-OG 2.87Å; L730-S732 PolarHBondContact O-N 2.92Å; S732-N735 PolarHBondContact O-N 3.49Å; S732-G736 PolarHBondContact O-N 2.97Å |
| 733 | T | 84.6 | Confident | 79.3 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 176.6 | -55 | 0 | 0 | 0 | 0 | 111.4 | L685 S729 L730 N735 G736 L737 | L685-T733 HydrophobicContact CD1-CG2 4.07Å; L685-T733 HydrophobicContact CD2-CG2 3.99Å; S729-T733 WeakPolarHBondContact O-CB 3.3Å; S729-T733 PolarHBondContact O-N 3.1Å; S729-T733 PolarHBondContact O-OG1 3.41Å; L730-T733 PolarHBondContact O-N 3.32Å; T733-N735 VanDerWaalsContact C-N 3.27Å; T733-N735 PolarHBondContact O-N 3.47Å; T733-G736 WeakPolarHBondContact O-CA 3.33Å; T733-G736 PolarHBondContact O-N 3.01Å; T733-G736 VanDerWaalsContact O-N 3.08Å; T733-L737 PolarHBondContact O-N 3.21Å |
| 734 | L | 82.2 | Confident | 78.8 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -28.5 | 178.5 | -178.5 | 136 | 0 | 0 | 0 | 112.4 | L730 L731 R788 L791 S792 | L730-L734 WeakPolarHBondContact O-CB 3.43Å; L730-L734 PolarHBondContact O-N 3.47Å; L731-L734 PolarHBondContact O-N 3.36Å; L734-R788 HydrophobicContact CD1-CG 4.12Å; L734-R788 HydrophobicContact CD2-CG 3.53Å; L734-R788 HydrophobicContact CG-CG 3.86Å; L734-R788 PolarHBondContact O-NE 3.17Å; L734-L791 HydrophobicContact CD1-CD2 3.56Å; L734-L791 HydrophobicContact CD1-CG 4.22Å; L734-S792 WeakPolarHBondContact CD2-OG 3.44Å |
| 735 | N | 78.8 | Confident | 78.3 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.4 | -35.1 | 169.2 | -70.7 | -22.5 | 0 | 0 | 0 | 112.6 | L731 S732 T733 L737 R788 | L731-N735 VanDerWaalsContact O-CG 3.3Å; L731-N735 PolarHBondContact O-N 2.93Å; L731-N735 PolarHBondContact O-ND2 3.19Å; S732-N735 PolarHBondContact O-N 3.49Å; T733-N735 VanDerWaalsContact C-N 3.27Å; T733-N735 PolarHBondContact O-N 3.47Å; N735-L737 VanDerWaalsContact C-N 3.34Å; N735-L737 PolarHBondContact O-N 3.29Å; N735-R788 PolarHBondContact OD1-NH2 3.1Å |
| 736 | G | 75.4 | Confident | 77.4 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.7 | -26.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S732 T733 V738 S739 H740 | S732-G736 PolarHBondContact O-N 2.97Å; T733-G736 WeakPolarHBondContact O-CA 3.33Å; T733-G736 PolarHBondContact O-N 3.01Å; T733-G736 VanDerWaalsContact O-N 3.08Å; G736-V738 PolarHBondContact O-N 3.3Å; G736-S739 PolarHBondContact O-N 2.61Å; G736-S739 PolarHBondContact O-OG 2.74Å; G736-H740 PolarHBondContact O-ND1 3.15Å |
| 737 | L | 73.6 | Confident | 76.5 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -63.8 | -26.1 | 178.1 | -77.3 | 178.7 | 0 | 0 | 0 | 113.6 | I682 L685 T733 N735 S739 H740 A741 | I682-L737 HydrophobicContact CG1-CD1 4.15Å; L685-L737 HydrophobicContact CD1-CD1 3.34Å; L685-L737 HydrophobicContact CD1-CG 4.3Å; T733-L737 PolarHBondContact O-N 3.21Å; N735-L737 VanDerWaalsContact C-N 3.34Å; N735-L737 PolarHBondContact O-N 3.29Å; L737-S739 VanDerWaalsContact C-N 3.3Å; L737-S739 PolarHBondContact O-N 3.19Å; L737-H740 PolarHBondContact O-N 3.4Å; L737-H740 VanDerWaalsContact O-N 3.14Å; L737-A741 PolarHBondContact O-N 3.01Å; L737-A741 VanDerWaalsContact O-N 3.15Å |
| 738 | V | 69.6 | Low | 75.7 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -62 | -40 | 178.8 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | G736 H740 A741 Y784 | G736-V738 PolarHBondContact O-N 3.3Å; V738-H740 PolarHBondContact O-N 3.41Å; V738-H740 VanDerWaalsContact O-N 3.13Å; V738-A741 PolarHBondContact O-N 3.16Å; V738-Y784 HydrophobicContact CG1-CE1 3.9Å; V738-Y784 PolarHBondContact O-OH 3.4Å |
| 739 | S | 67 | Low | 74.9 | Confident | 98 Ų | 98 | 61 Ų | 61 | 69% | 0.685 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -67.4 | -15.1 | -179.1 | 67.8 | 0 | 0 | 0 | 0 | 113 | G736 L737 | G736-S739 PolarHBondContact O-N 2.61Å; G736-S739 PolarHBondContact O-OG 2.74Å; L737-S739 VanDerWaalsContact C-N 3.3Å; L737-S739 PolarHBondContact O-N 3.19Å |
| 740 | H | 65.9 | Low | 73.8 | Confident | 146 Ų | 146 | 60.6 Ų | 60.6 | 68% | 0.676 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -23.4 | -179.9 | -61.3 | 81.6 | 0 | 0 | 0 | 112.5 | G736 L737 V738 | G736-H740 PolarHBondContact O-ND1 3.15Å; L737-H740 PolarHBondContact O-N 3.4Å; L737-H740 VanDerWaalsContact O-N 3.14Å; V738-H740 PolarHBondContact O-N 3.41Å; V738-H740 VanDerWaalsContact O-N 3.13Å |
| 741 | A | 66.6 | Low | 73.3 | Confident | 20 Ų | 20 | 63 Ų | 63 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -86.4 | 125.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L737 V738 E743 C783 Y784 | L737-A741 PolarHBondContact O-N 3.01Å; L737-A741 VanDerWaalsContact O-N 3.15Å; V738-A741 PolarHBondContact O-N 3.16Å; A741-E743 PolarHBondContact O-N 3.47Å; A741-E743 VanDerWaalsContact O-N 3.11Å; A741-C783 HydrophobicContact CB-CB 4.32Å; A741-Y784 HydrophobicContact CB-CE2 3.91Å; A741-Y784 PolarHBondContact O-OH 2.88Å |
| 742 | K | 71.9 | Confident | 72.8 | Confident | 137 Ų | 137 | 62.3 Ų | 62.3 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 118.8 | 173.8 | -172.7 | -176 | 176.2 | -161.3 | 0 | 109.3 | D775 S780 | K742-D775 PolarHBondContact NZ-O 3.4Å; K742-S780 WeakPolarHBondContact O-CB 3.36Å; K742-S780 PolarHBondContact O-OG 3.02Å |
| 743 | E | 73.3 | Confident | 72.5 | Confident | 107 Ų | 107 | 60.4 Ų | 60.4 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 123.4 | 179 | -171.5 | 172 | -178.5 | 0 | 0 | 109.4 | A741 Y784 | A741-E743 PolarHBondContact O-N 3.47Å; A741-E743 VanDerWaalsContact O-N 3.11Å; E743-Y784 HydrophobicContact CB-CE1 4.06Å; E743-Y784 HydrophobicContact CB-CE2 4.31Å; E743-Y784 WeakPolarHBondContact CB-OH 3.35Å; E743-Y784 HydrophobicContact CG-CD1 4.26Å; E743-Y784 HydrophobicContact CG-CE1 3.65Å |
| 744 | P | 72.4 | Confident | 72.2 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.6 | 172 | 26.8 | -32.8 | 0 | 0 | 0 | 109.8 | L749 V776 Y784 | P744-L749 HydrophobicContact CB-CD2 4.34Å; P744-L749 HydrophobicContact CB-CG 4.14Å; P744-L749 HydrophobicContact CG-CD1 3.88Å; P744-L749 HydrophobicContact CG-CD2 3.81Å; P744-L749 HydrophobicContact CG-CG 3.85Å; P744-V776 HydrophobicContact CB-CG1 4.12Å; P744-V776 HydrophobicContact CB-CG2 3.58Å; P744-Y784 HydrophobicContact CG-CD2 4.19Å; P744-Y784 HydrophobicContact CG-CG 4.11Å |
| 745 | S | 71.8 | Confident | 72.1 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 147.6 | 179.3 | 70.4 | 0 | 0 | 0 | 0 | 110.9 | R747 E748 L749 | S745-R747 PolarHBondContact O-N 3.02Å; S745-R747 VanDerWaalsContact O-N 3.11Å; S745-E748 WeakPolarHBondContact CB-OE2 3.47Å; S745-E748 PolarHBondContact N-OE2 3.39Å; S745-E748 WeakPolarHBondContact O-CB 3.35Å; S745-E748 PolarHBondContact O-N 2.95Å; S745-E748 WeakPolarHBondContact OG-CG 3.42Å; S745-E748 PolarHBondContact OG-N 3.11Å; S745-E748 PolarHBondContact OG-OE2 2.99Å; S745-L749 PolarHBondContact O-N 3.31Å; S745-L749 VanDerWaalsContact O-N 3.15Å |
| 746 | T | 68.1 | Low | 72.4 | Confident | 102 Ų | 102 | 55.9 Ų | 55.9 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.8 | -27.2 | 178.6 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | S750 P845 | T746-S750 WeakPolarHBondContact O-CB 3.44Å; T746-S750 PolarHBondContact O-N 2.98Å; T746-S750 PolarHBondContact O-OG 3.39Å; T746-P845 HydrophobicContact CG2-CG 4.32Å |
| 747 | R | 66.4 | Low | 72.8 | Confident | 184 Ų | 184 | 57.1 Ų | 57.1 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -70.5 | -38.7 | 175.2 | -167.5 | -177.7 | 179 | -176.6 | -2.3 | 112.2 | S745 S750 N751 L754 | S745-R747 PolarHBondContact O-N 3.02Å; S745-R747 VanDerWaalsContact O-N 3.11Å; R747-S750 PolarHBondContact O-OG 2.85Å; R747-N751 PolarHBondContact O-N 3.32Å; R747-L754 HydrophobicContact CG-CD1 3.79Å |
| 748 | E | 70 | Confident | 73.3 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -48.7 | 176 | -70.6 | 162.2 | 138 | 0 | 0 | 110.5 | S745 S750 N751 L755 S758 | S745-E748 WeakPolarHBondContact CB-OE2 3.47Å; S745-E748 PolarHBondContact N-OE2 3.39Å; S745-E748 WeakPolarHBondContact O-CB 3.35Å; S745-E748 PolarHBondContact O-N 2.95Å; S745-E748 WeakPolarHBondContact OG-CG 3.42Å; S745-E748 PolarHBondContact OG-N 3.11Å; S745-E748 PolarHBondContact OG-OE2 2.99Å; E748-S750 PolarHBondContact O-N 3.15Å; E748-S750 VanDerWaalsContact O-N 3.09Å; E748-N751 PolarHBondContact O-N 2.92Å; E748-N751 VanDerWaalsContact O-N 3.15Å; E748-N751 VanDerWaalsContact O-O 3.08Å; E748-L755 WeakPolarHBondContact O-CB 3.35Å; E748-S758 WeakPolarHBondContact CG-OG 3.24Å; E748-S758 VanDerWaalsContact OE1-CB 3.27Å; E748-S758 WeakPolarHBondContact OE1-CB 3.26Å; E748-S758 PolarHBondContact OE1-OG 3.37Å |
| 749 | L | 69.5 | Low | 74.1 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -22.3 | -179.7 | -71.7 | 171.4 | 0 | 0 | 0 | 114.2 | P744 S745 P845 I847 L851 | P744-L749 HydrophobicContact CB-CD2 4.34Å; P744-L749 HydrophobicContact CB-CG 4.14Å; P744-L749 HydrophobicContact CG-CD1 3.88Å; P744-L749 HydrophobicContact CG-CD2 3.81Å; P744-L749 HydrophobicContact CG-CG 3.85Å; S745-L749 PolarHBondContact O-N 3.31Å; S745-L749 VanDerWaalsContact O-N 3.15Å; L749-P845 HydrophobicContact CD1-CB 4.14Å; L749-P845 HydrophobicContact CD1-CG 3.75Å; L749-I847 HydrophobicContact CD2-CD1 4.16Å; L749-I847 HydrophobicContact CD2-CG1 3.55Å; L749-L851 WeakPolarHBondContact O-CD1 3.27Å |
| 750 | S | 67 | Low | 75.1 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -1.8 | -178.7 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | T746 R747 E748 L851 | T746-S750 WeakPolarHBondContact O-CB 3.44Å; T746-S750 PolarHBondContact O-N 2.98Å; T746-S750 PolarHBondContact O-OG 3.39Å; R747-S750 PolarHBondContact O-OG 2.85Å; E748-S750 PolarHBondContact O-N 3.15Å; E748-S750 VanDerWaalsContact O-N 3.09Å; S750-L851 WeakPolarHBondContact O-CD2 3.38Å |
| 751 | N | 74.9 | Confident | 75.9 | Confident | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 23% | 0.228 | S | C | . | . | trans | -136.5 | 111.1 | -179 | -176.4 | -19.2 | 0 | 0 | 0 | 110.2 | R747 E748 N753 L754 L755 | R747-N751 PolarHBondContact O-N 3.32Å; E748-N751 PolarHBondContact O-N 2.92Å; E748-N751 VanDerWaalsContact O-N 3.15Å; E748-N751 VanDerWaalsContact O-O 3.08Å; N751-N753 VanDerWaalsContact C-N 3.27Å; N751-N753 PolarHBondContact O-N 3.33Å; N751-N753 WeakPolarHBondContact OD1-CB 3.47Å; N751-N753 PolarHBondContact OD1-N 3.28Å; N751-L754 HydrophobicContact CB-CB 4.18Å; N751-L754 HydrophobicContact CB-CD1 4Å; N751-L754 HydrophobicContact CB-CG 4.17Å; N751-L754 PolarHBondContact O-N 3.17Å; N751-L755 PolarHBondContact O-N 2.82Å | ||
| 752 | L | 76.5 | Confident | 76.5 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -39.9 | -178.9 | -178.8 | 65.2 | 0 | 0 | 0 | 112.6 | L755 S756 L851 L852 V871 I879 | L752-L755 PolarHBondContact O-N 3.18Å; L752-S756 VanDerWaalsContact O-CB 3.25Å; L752-S756 WeakPolarHBondContact O-CB 3.45Å; L752-S756 PolarHBondContact O-N 3.47Å; L752-S756 PolarHBondContact O-OG 3.15Å; L752-L851 HydrophobicContact CB-CB 4.21Å; L752-L851 VanDerWaalsContact CD2-O 3.28Å; L752-L851 WeakPolarHBondContact CD2-O 3.4Å; L752-L852 HydrophobicContact CD1-CD2 3.92Å; L752-L852 HydrophobicContact CD2-CD2 4.16Å; L752-V871 HydrophobicContact CD2-CG1 4.12Å; L752-V871 HydrophobicContact CG-CG1 3.93Å; L752-I879 HydrophobicContact CD1-CD1 3.83Å |
| 753 | N | 76.2 | Confident | 76.8 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -56.2 | 179.4 | -179.2 | -6 | 0 | 0 | 0 | 109.1 | N751 L755 S756 W757 N868 F870 V871 | N751-N753 VanDerWaalsContact C-N 3.27Å; N751-N753 PolarHBondContact O-N 3.33Å; N751-N753 WeakPolarHBondContact OD1-CB 3.47Å; N751-N753 PolarHBondContact OD1-N 3.28Å; N753-L755 PolarHBondContact O-N 3.32Å; N753-S756 PolarHBondContact O-N 2.97Å; N753-S756 PolarHBondContact O-OG 2.78Å; N753-W757 VanDerWaalsContact O-CD1 3.26Å; N753-W757 PolarHBondContact O-N 2.75Å; N753-W757 VanDerWaalsContact OD1-CD1 3.23Å; N753-W757 PolarHBondContact OD1-NE1 2.89Å; N753-N868 PolarHBondContact ND2-O 2.69Å; N753-F870 PolarHBondContact OD1-O 3.38Å; N753-V871 HydrophobicContact CB-CG2 4.27Å |
| 754 | L | 78.5 | Confident | 76.9 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -47.4 | 177.8 | -66.6 | 176.6 | 0 | 0 | 0 | 112.1 | R747 N751 S756 W757 S758 | R747-L754 HydrophobicContact CG-CD1 3.79Å; N751-L754 HydrophobicContact CB-CB 4.18Å; N751-L754 HydrophobicContact CB-CD1 4Å; N751-L754 HydrophobicContact CB-CG 4.17Å; N751-L754 PolarHBondContact O-N 3.17Å; L754-S756 VanDerWaalsContact C-N 3.35Å; L754-S756 PolarHBondContact O-N 3.07Å; L754-W757 PolarHBondContact O-N 3.1Å; L754-S758 WeakPolarHBondContact O-CB 3.48Å; L754-S758 PolarHBondContact O-N 3.36Å; L754-S758 PolarHBondContact O-OG 2.97Å; L754-S758 VanDerWaalsContact O-OG 3.06Å |
| 755 | L | 81.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | -179.5 | -174.6 | 63 | 0 | 0 | 0 | 112.5 | E748 N751 L752 N753 W757 S758 V759 I847 I879 | E748-L755 WeakPolarHBondContact O-CB 3.35Å; N751-L755 PolarHBondContact O-N 2.82Å; L752-L755 PolarHBondContact O-N 3.18Å; N753-L755 PolarHBondContact O-N 3.32Å; L755-W757 PolarHBondContact O-N 2.66Å; L755-S758 PolarHBondContact O-N 3.17Å; L755-V759 HydrophobicContact CD1-CG1 4.1Å; L755-V759 HydrophobicContact CG-CG1 4.42Å; L755-V759 WeakPolarHBondContact O-CG1 3.48Å; L755-V759 WeakPolarHBondContact O-CG2 3.22Å; L755-V759 PolarHBondContact O-N 3.08Å; L755-V759 VanDerWaalsContact O-N 3.08Å; L755-I847 HydrophobicContact CD2-CD1 3.55Å; L755-I847 HydrophobicContact CD2-CG1 3.79Å; L755-I847 HydrophobicContact CD2-CG2 3.9Å; L755-I879 HydrophobicContact CB-CD1 4.46Å; L755-I879 HydrophobicContact CD2-CD1 3.82Å; L755-I879 HydrophobicContact CD2-CG1 4.35Å; L755-I879 HydrophobicContact CG-CD1 3.88Å |
| 756 | S | 83.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -31.4 | -178.8 | 73 | 0 | 0 | 0 | 0 | 112.5 | L752 N753 L754 V759 M760 V871 H872 | L752-S756 VanDerWaalsContact O-CB 3.25Å; L752-S756 WeakPolarHBondContact O-CB 3.45Å; L752-S756 PolarHBondContact O-N 3.47Å; L752-S756 PolarHBondContact O-OG 3.15Å; N753-S756 PolarHBondContact O-N 2.97Å; N753-S756 PolarHBondContact O-OG 2.78Å; L754-S756 VanDerWaalsContact C-N 3.35Å; L754-S756 PolarHBondContact O-N 3.07Å; S756-V759 WeakPolarHBondContact O-CG2 3.46Å; S756-M760 WeakPolarHBondContact O-CG 3.14Å; S756-V871 VanDerWaalsContact CB-CG1 3.5Å; S756-V871 VanDerWaalsContact OG-CG1 3.22Å; S756-V871 WeakPolarHBondContact OG-CG1 3.43Å; S756-H872 PolarHBondContact OG-N 2.93Å |
| 757 | W | 84.1 | Confident | 78.1 | Confident | 58 Ų | 58 | 32.5 Ų | 32.5 | 22% | 0.22 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.3 | -41.5 | 173.8 | -75.2 | 104.8 | 0 | 0 | 0 | 112.3 | L465 N753 L754 L755 V759 M760 D867 F870 H872 | L465-W757 HydrophobicContact CB-CH2 3.68Å; L465-W757 HydrophobicContact CB-CZ2 4.29Å; N753-W757 VanDerWaalsContact O-CD1 3.26Å; N753-W757 PolarHBondContact O-N 2.75Å; N753-W757 VanDerWaalsContact OD1-CD1 3.23Å; N753-W757 PolarHBondContact OD1-NE1 2.89Å; L754-W757 PolarHBondContact O-N 3.1Å; L755-W757 PolarHBondContact O-N 2.66Å; W757-V759 PolarHBondContact O-N 2.76Å; W757-M760 PolarHBondContact O-N 2.95Å; W757-D867 HydrophobicContact CZ2-CB 4.38Å; W757-F870 PolarHBondContact NE1-O 3Å; W757-H872 HydrophobicContact CD2-CB 3.92Å; W757-H872 HydrophobicContact CE3-CB 4.31Å; W757-H872 AromaticContact CE3-CD2 3.84Å; W757-H872 HydrophobicContact CG-CB 4.26Å; W757-H872 AromaticContact CH2-CD2 3.7Å; W757-H872 HydrophobicContact CZ2-CB 4.33Å; W757-H872 AromaticContact CZ3-CD2 3.55Å |
| 758 | S | 85 | Confident | 78.6 | Confident | 13 Ų | 13 | 25.3 Ų | 25.3 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.4 | -24.7 | -178.1 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | E748 L754 L755 M760 G774 D775 V776 | E748-S758 WeakPolarHBondContact CG-OG 3.24Å; E748-S758 VanDerWaalsContact OE1-CB 3.27Å; E748-S758 WeakPolarHBondContact OE1-CB 3.26Å; E748-S758 PolarHBondContact OE1-OG 3.37Å; L754-S758 WeakPolarHBondContact O-CB 3.48Å; L754-S758 PolarHBondContact O-N 3.36Å; L754-S758 PolarHBondContact O-OG 2.97Å; L754-S758 VanDerWaalsContact O-OG 3.06Å; L755-S758 PolarHBondContact O-N 3.17Å; S758-M760 VanDerWaalsContact C-N 3.29Å; S758-G774 CarbonylContact O-C 3.38Å; S758-D775 PolarHBondContact O-N 3.26Å; S758-D775 VanDerWaalsContact O-N 3.08Å; S758-V776 PolarHBondContact O-N 3.34Å |
| 759 | V | 86.1 | Confident | 78.5 | Confident | 12 Ų | 12 | 24.7 Ų | 24.7 | 7% | 0.073 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.7 | 174.4 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | L755 S756 W757 V776 L781 L878 | L755-V759 HydrophobicContact CD1-CG1 4.1Å; L755-V759 HydrophobicContact CG-CG1 4.42Å; L755-V759 WeakPolarHBondContact O-CG1 3.48Å; L755-V759 WeakPolarHBondContact O-CG2 3.22Å; L755-V759 PolarHBondContact O-N 3.08Å; L755-V759 VanDerWaalsContact O-N 3.08Å; S756-V759 WeakPolarHBondContact O-CG2 3.46Å; W757-V759 PolarHBondContact O-N 2.76Å; V759-V776 WeakPolarHBondContact CA-O 3.26Å; V759-V776 HydrophobicContact CG1-CB 4.17Å; V759-V776 HydrophobicContact CG1-CG1 4.22Å; V759-L781 HydrophobicContact CG1-CD1 4.26Å; V759-L781 HydrophobicContact CG1-CD2 4.15Å; V759-L878 HydrophobicContact CB-CD2 4.17Å; V759-L878 HydrophobicContact CG2-CD2 4.25Å |
| 760 | M | 86.7 | Confident | 78.6 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -95.7 | 158.6 | 177.8 | -57.8 | -70.5 | 100.7 | 0 | 0 | 110.2 | D500 S756 W757 S758 G774 L878 | D500-M760 WeakPolarHBondContact O-CA 3.18Å; S756-M760 WeakPolarHBondContact O-CG 3.14Å; W757-M760 PolarHBondContact O-N 2.95Å; S758-M760 VanDerWaalsContact C-N 3.29Å; M760-G774 WeakPolarHBondContact O-CA 3.42Å; M760-L878 HydrophobicContact CE-CB 4.43Å; M760-L878 HydrophobicContact CE-CD2 3.81Å |
| 761 | V | 83 | Confident | 78.7 | Confident | 15 Ų | 15 | 23.8 Ų | 23.8 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 143.8 | 175 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | D500 Q765 P771 D772 | D500-V761 HydrophobicContact CB-CB 4.25Å; D500-V761 HydrophobicContact CB-CG2 3.69Å; D500-V761 PolarHBondContact O-N 3.06Å; V761-Q765 HydrophobicContact CG1-CB 3.36Å; V761-Q765 HydrophobicContact CG1-CG 4.46Å; V761-P771 HydrophobicContact CG1-CB 4.05Å; V761-D772 WeakPolarHBondContact CG2-O 3.31Å |
| 762 | K | 79.1 | Confident | 78.7 | Confident | 67 Ų | 67 | 23.4 Ų | 23.4 | 29% | 0.291 | 12% | 0.117 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 148.7 | -179.6 | -63.8 | 179.3 | -179.3 | 162.9 | 0 | 111.1 | A458 D764 Q765 I766 D775 | A458-K762 HydrophobicContact CB-CB 4.1Å; A458-K762 HydrophobicContact CB-CD 4.26Å; A458-K762 HydrophobicContact CB-CG 3.81Å; K762-D764 VanDerWaalsContact C-N 3.3Å; K762-D764 VanDerWaalsContact CB-OD1 3.32Å; K762-D764 WeakPolarHBondContact CB-OD1 3.22Å; K762-D764 PolarHBondContact O-N 3.23Å; K762-Q765 HydrophobicContact CB-CG 4.12Å; K762-Q765 WeakPolarHBondContact O-CA 3.27Å; K762-Q765 WeakPolarHBondContact O-CB 3.43Å; K762-Q765 PolarHBondContact O-N 2.75Å; K762-I766 PolarHBondContact O-N 3.06Å; K762-D775 VanDerWaalsContact CE-OD1 3.3Å; K762-D775 WeakPolarHBondContact CE-OD1 3.34Å; K762-D775 WeakPolarHBondContact CE-OD2 3.46Å; K762-D775 IonicContact NZ-OD1 3.14Å; K762-D775 PolarHBondContact NZ-OD1 3.36Å; K762-D775 IonicContact NZ-OD2 2.66Å; K762-D775 PolarHBondContact NZ-OD2 2.97Å |
| 763 | R | 77.9 | Confident | 78.7 | Confident | 30 Ų | 30 | 26.1 Ų | 26.1 | 11% | 0.113 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -49.3 | -47.2 | -175.6 | -179.7 | -175.2 | 159.6 | 176.5 | -8.8 | 113.5 | L451 L452 T454 P462 T467 Q765 I766 | L451-R763 PolarHBondContact O-NH2 2.96Å; L452-R763 HydrophobicContact CB-CG 4.3Å; L452-R763 HydrophobicContact CD2-CG 3.8Å; L452-R763 WeakPolarHBondContact O-CG 3.14Å; T454-R763 HydrophobicContact CG2-CB 4.35Å; T454-R763 HydrophobicContact CG2-CG 4.33Å; P462-R763 PolarHBondContact O-NH1 3.12Å; T467-R763 PolarHBondContact OG1-NE 3.28Å; R763-Q765 PolarHBondContact O-N 2.65Å; R763-I766 WeakPolarHBondContact O-CG1 3.32Å; R763-I766 PolarHBondContact O-N 3.1Å |
| 764 | D | 75.6 | Confident | 78.7 | Confident | 45 Ų | 45 | 25.1 Ų | 25.1 | 24% | 0.241 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -69.1 | -14.5 | -178.8 | 66.2 | -55.3 | 0 | 0 | 0 | 113.7 | L452 K762 K768 | L452-D764 WeakPolarHBondContact O-CA 3.42Å; L452-D764 PolarHBondContact O-N 2.88Å; K762-D764 VanDerWaalsContact C-N 3.3Å; K762-D764 VanDerWaalsContact CB-OD1 3.32Å; K762-D764 WeakPolarHBondContact CB-OD1 3.22Å; K762-D764 PolarHBondContact O-N 3.23Å; D764-K768 VanDerWaalsContact O-CE 3.23Å; D764-K768 WeakPolarHBondContact O-CE 3.28Å; D764-K768 IonicContact OD2-NZ 2.72Å |
| 765 | Q | 80.2 | Confident | 78.7 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -99.3 | -18.8 | -176.8 | -58.9 | -69.2 | -31.9 | 0 | 0 | 112.4 | V761 K762 R763 L767 K768 P771 D772 | V761-Q765 HydrophobicContact CG1-CB 3.36Å; V761-Q765 HydrophobicContact CG1-CG 4.46Å; K762-Q765 HydrophobicContact CB-CG 4.12Å; K762-Q765 WeakPolarHBondContact O-CA 3.27Å; K762-Q765 WeakPolarHBondContact O-CB 3.43Å; K762-Q765 PolarHBondContact O-N 2.75Å; R763-Q765 PolarHBondContact O-N 2.65Å; Q765-L767 VanDerWaalsContact C-N 3.3Å; Q765-L767 PolarHBondContact O-N 2.8Å; Q765-K768 PolarHBondContact O-N 3.08Å; Q765-P771 HydrophobicContact CB-CB 4.31Å; Q765-P771 WeakPolarHBondContact O-CB 3.34Å; Q765-D772 HydrophobicContact CG-CB 4.03Å; Q765-D772 PolarHBondContact NE2-OD2 2.94Å; Q765-D772 VanDerWaalsContact OE1-N 3.15Å; Q765-D772 PolarHBondContact OE1-OD2 2.72Å |
| 766 | I | 79.3 | Confident | 78.8 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 5% | 0.046 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -44.3 | -172.7 | -62.4 | 168.8 | 0 | 0 | 0 | 112.7 | L452 L496 F501 K762 R763 | L452-I766 HydrophobicContact CD1-CB 4.34Å; L496-I766 HydrophobicContact CD2-CG2 3.53Å; L496-I766 HydrophobicContact CG-CG2 4.11Å; F501-I766 HydrophobicContact CB-CG1 4.44Å; F501-I766 HydrophobicContact CB-CG2 4.36Å; F501-I766 HydrophobicContact CD1-CD1 4.04Å; F501-I766 HydrophobicContact CD1-CG2 4.24Å; F501-I766 HydrophobicContact CD2-CD1 3.45Å; F501-I766 VanDerWaalsContact CD2-CD1 3.45Å; F501-I766 HydrophobicContact CD2-CG1 4.02Å; F501-I766 HydrophobicContact CE1-CD1 4.08Å; F501-I766 HydrophobicContact CE2-CD1 3.48Å; F501-I766 VanDerWaalsContact CE2-CD1 3.48Å; F501-I766 HydrophobicContact CG-CD1 3.77Å; F501-I766 HydrophobicContact CG-CG1 4.11Å; F501-I766 HydrophobicContact CG-CG2 4.27Å; F501-I766 HydrophobicContact CZ-CD1 3.81Å; K762-I766 PolarHBondContact O-N 3.06Å; R763-I766 WeakPolarHBondContact O-CG1 3.32Å; R763-I766 PolarHBondContact O-N 3.1Å |
| 767 | L | 79.6 | Confident | 79 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -0.3 | -177.4 | -65.6 | -172.8 | 0 | 0 | 0 | 113.7 | L448 L452 K492 L496 Q765 | L448-L767 HydrophobicContact CB-CD1 3.77Å; L452-L767 HydrophobicContact CD1-CB 4.21Å; L452-L767 HydrophobicContact CD1-CD1 3.44Å; L452-L767 VanDerWaalsContact CD1-CD1 3.44Å; L452-L767 HydrophobicContact CD1-CG 3.41Å; L452-L767 VanDerWaalsContact CD1-CG 3.41Å; K492-L767 HydrophobicContact CB-CD2 3.88Å; K492-L767 HydrophobicContact CD-CB 4.23Å; K492-L767 HydrophobicContact CD-CD2 4.12Å; K492-L767 WeakPolarHBondContact CE-O 3.31Å; K492-L767 HydrophobicContact CG-CD2 4.39Å; K492-L767 PolarHBondContact NZ-O 3.44Å; L496-L767 HydrophobicContact CD1-CD2 4.11Å; L496-L767 HydrophobicContact CD2-CD2 4.46Å; L496-L767 HydrophobicContact CG-CD2 3.96Å; Q765-L767 VanDerWaalsContact C-N 3.3Å; Q765-L767 PolarHBondContact O-N 2.8Å |
| 768 | K | 76 | Confident | 79.2 | Confident | 34 Ų | 34 | 23.9 Ų | 23.9 | 15% | 0.148 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -67.8 | 152.3 | 174 | -67.5 | -170.6 | -172.2 | 165.7 | 0 | 110.3 | D764 Q765 | D764-K768 VanDerWaalsContact O-CE 3.23Å; D764-K768 WeakPolarHBondContact O-CE 3.28Å; D764-K768 IonicContact OD2-NZ 2.72Å; Q765-K768 PolarHBondContact O-N 3.08Å |
| 769 | T | 68.1 | Low | 79.4 | Confident | 15 Ų | 15 | 23.4 Ų | 23.4 | 9% | 0.092 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -73.3 | -34.9 | 179.2 | 36 | 0 | 0 | 0 | 0 | 111.2 | F654 T657 N659 E664 P771 | F654-T769 WeakPolarHBondContact CD1-O 3.25Å; F654-T769 VanDerWaalsContact O-CB 3.31Å; F654-T769 WeakPolarHBondContact O-CB 3.29Å; F654-T769 VanDerWaalsContact O-CG2 3.3Å; F654-T769 WeakPolarHBondContact O-CG2 3.31Å; T657-T769 WeakPolarHBondContact O-CG2 3.48Å; T657-T769 WeakPolarHBondContact OG1-CG2 3.32Å; N659-T769 HydrophobicContact CB-CG2 4.16Å; E664-T769 WeakPolarHBondContact OE1-CA 3.28Å; E664-T769 WeakPolarHBondContact OE1-CB 3.47Å; E664-T769 PolarHBondContact OE1-N 2.82Å; E664-T769 PolarHBondContact OE1-OG1 3.06Å; E664-T769 PolarHBondContact OE2-OG1 3.45Å; T769-P771 WeakPolarHBondContact O-CD 3.36Å |
| 770 | S | 71 | Confident | 79.4 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -118 | 80.1 | 170.9 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | E664 N668 | E664-S770 WeakPolarHBondContact CB-OG 3.49Å; E664-S770 PolarHBondContact OE1-N 3.37Å; E664-S770 VanDerWaalsContact OE1-N 3.07Å; E664-S770 PolarHBondContact OE2-N 2.9Å; E664-S770 PolarHBondContact OE2-OG 2.98Å; N668-S770 PolarHBondContact ND2-O 3.43Å |
| 771 | P | 68.9 | Low | 79.4 | Confident | 31 Ų | 31 | 22.9 Ų | 22.9 | 20% | 0.201 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 142.9 | -177.1 | 26 | -34.1 | 0 | 0 | 0 | 111.5 | V761 Q765 T769 | V761-P771 HydrophobicContact CG1-CB 4.05Å; Q765-P771 HydrophobicContact CB-CB 4.31Å; Q765-P771 WeakPolarHBondContact O-CB 3.34Å; T769-P771 WeakPolarHBondContact O-CD 3.36Å |
| 772 | D | 74.4 | Confident | 79.8 | Confident | 58 Ų | 58 | 22.2 Ų | 22.2 | 31% | 0.31 | 12% | 0.119 | S | C | . | . | P | Polyproline II helix | trans | -58.2 | 145.4 | 164.2 | -67 | -32.8 | 0 | 0 | 0 | 110.1 | N668 V761 Q765 | N668-D772 PolarHBondContact ND2-OD1 3.18Å; N668-D772 PolarHBondContact OD1-OD1 2.92Å; V761-D772 WeakPolarHBondContact CG2-O 3.31Å; Q765-D772 HydrophobicContact CG-CB 4.03Å; Q765-D772 PolarHBondContact NE2-OD2 2.94Å; Q765-D772 VanDerWaalsContact OE1-N 3.15Å; Q765-D772 PolarHBondContact OE1-OD2 2.72Å |
| 773 | L | 77.4 | Confident | 80.1 | Confident | 66 Ų | 66 | 19.4 Ų | 19.4 | 35% | 0.346 | 11% | 0.108 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 145.8 | 169.5 | -67 | 168.7 | 0 | 0 | 0 | 109.7 | L671 H675 | L671-L773 HydrophobicContact CB-CD1 4.46Å; H675-L773 HydrophobicContact CB-CD1 3.75Å; H675-L773 HydrophobicContact CB-CD2 4.03Å |
| 774 | G | 75.9 | Confident | 80.2 | Confident | 11 Ų | 11 | 18.7 Ų | 18.7 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 155.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S758 M760 V776 | S758-G774 CarbonylContact O-C 3.38Å; M760-G774 WeakPolarHBondContact O-CA 3.42Å; G774-V776 PolarHBondContact O-N 2.96Å; G774-V776 VanDerWaalsContact O-N 3.1Å |
| 775 | D | 79.3 | Confident | 80.4 | Confident | 39 Ų | 39 | 16.7 Ų | 16.7 | 21% | 0.209 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -56.5 | -32.6 | -177.8 | -72.8 | -41.6 | 0 | 0 | 0 | 111.3 | K742 S758 K762 | K742-D775 PolarHBondContact NZ-O 3.4Å; S758-D775 PolarHBondContact O-N 3.26Å; S758-D775 VanDerWaalsContact O-N 3.08Å; K762-D775 VanDerWaalsContact CE-OD1 3.3Å; K762-D775 WeakPolarHBondContact CE-OD1 3.34Å; K762-D775 WeakPolarHBondContact CE-OD2 3.46Å; K762-D775 IonicContact NZ-OD1 3.14Å; K762-D775 PolarHBondContact NZ-OD1 3.36Å; K762-D775 IonicContact NZ-OD2 2.66Å; K762-D775 PolarHBondContact NZ-OD2 2.97Å |
| 776 | V | 84.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -117 | 103.7 | 170 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | P744 S758 V759 G774 L781 | P744-V776 HydrophobicContact CB-CG1 4.12Å; P744-V776 HydrophobicContact CB-CG2 3.58Å; S758-V776 PolarHBondContact O-N 3.34Å; V759-V776 WeakPolarHBondContact CA-O 3.26Å; V759-V776 HydrophobicContact CG1-CB 4.17Å; V759-V776 HydrophobicContact CG1-CG1 4.22Å; G774-V776 PolarHBondContact O-N 2.96Å; G774-V776 VanDerWaalsContact O-N 3.1Å; V776-L781 HydrophobicContact CG1-CB 4.4Å |
| 777 | S | 87.7 | Confident | 81.3 | Confident | 20 Ų | 20 | 15.9 Ų | 15.9 | 14% | 0.14 | 9% | 0.091 | C | C | . | . | trans | -66.2 | 155.3 | 177.6 | 85 | 0 | 0 | 0 | 0 | 112.6 | H675 A779 S780 L781 | H675-S777 WeakPolarHBondContact CE1-CB 3.34Å; H675-S777 PolarHBondContact CE1-OG 3.05Å; H675-S777 WeakPolarHBondContact ND1-CB 3.48Å; H675-S777 PolarHBondContact ND1-OG 3.15Å; S777-A779 PolarHBondContact O-N 3Å; S777-S780 CarbonylContact O-C 3.34Å; S777-S780 WeakPolarHBondContact O-CA 3.45Å; S777-S780 VanDerWaalsContact O-CB 3.31Å; S777-S780 WeakPolarHBondContact O-CB 3.39Å; S777-S780 PolarHBondContact O-N 3.38Å; S777-S780 PolarHBondContact OG-N 3.23Å; S777-S780 VanDerWaalsContact OG-N 3.13Å; S777-S780 PolarHBondContact OG-OG 3.15Å; S777-S780 VanDerWaalsContact OG-OG 3.05Å; S777-L781 PolarHBondContact O-N 3.16Å | ||
| 778 | C | 88 | Confident | 81.8 | Confident | 13 Ų | 13 | 17.6 Ų | 17.6 | 9% | 0.088 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | -179.7 | -158.7 | 0 | 0 | 0 | 0 | 112.9 | P532 H675 W679 S780 L781 Y782 | P532-C778 VanDerWaalsContact O-CB 3.25Å; P532-C778 WeakPolarHBondContact O-CB 3.46Å; H675-C778 PolarHBondContact CE1-N 2.97Å; W679-C778 HydrophobicContact CE3-CB 4.38Å; W679-C778 HydrophobicContact CZ3-CB 4.23Å; C778-S780 PolarHBondContact O-N 3Å; C778-L781 WeakPolarHBondContact O-CB 3.49Å; C778-L781 PolarHBondContact O-N 2.72Å; C778-Y782 WeakPolarHBondContact O-CD2 3.42Å; C778-Y782 PolarHBondContact O-N 3.1Å |
| 779 | A | 89.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 18.2 Ų | 18.2 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.2 | -43.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H675 W679 I682 S777 Y782 C783 | H675-A779 PolarHBondContact CE1-N 2.97Å; H675-A779 VanDerWaalsContact CE1-N 3.34Å; W679-A779 HydrophobicContact CB-CB 4.49Å; W679-A779 HydrophobicContact CE3-CB 4.37Å; I682-A779 HydrophobicContact CD1-CB 3.86Å; S777-A779 PolarHBondContact O-N 3Å; A779-Y782 PolarHBondContact O-N 2.94Å; A779-C783 VanDerWaalsContact O-CB 3.3Å; A779-C783 WeakPolarHBondContact O-CB 3.45Å; A779-C783 PolarHBondContact O-N 3.19Å; A779-C783 PolarHBondContact O-SG 2.78Å; A779-C783 VanDerWaalsContact O-SG 3.35Å |
| 780 | S | 86.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 173.4 | -64.5 | 0 | 0 | 0 | 0 | 111 | K742 S777 C778 Y782 C783 Y784 | K742-S780 WeakPolarHBondContact O-CB 3.36Å; K742-S780 PolarHBondContact O-OG 3.02Å; S777-S780 CarbonylContact O-C 3.34Å; S777-S780 WeakPolarHBondContact O-CA 3.45Å; S777-S780 VanDerWaalsContact O-CB 3.31Å; S777-S780 WeakPolarHBondContact O-CB 3.39Å; S777-S780 PolarHBondContact O-N 3.38Å; S777-S780 PolarHBondContact OG-N 3.23Å; S777-S780 VanDerWaalsContact OG-N 3.13Å; S777-S780 PolarHBondContact OG-OG 3.15Å; S777-S780 VanDerWaalsContact OG-OG 3.05Å; C778-S780 PolarHBondContact O-N 3Å; S780-Y782 VanDerWaalsContact C-N 3.27Å; S780-Y782 PolarHBondContact O-N 3.32Å; S780-C783 PolarHBondContact O-N 3.43Å; S780-C783 VanDerWaalsContact O-N 3.14Å; S780-Y784 VanDerWaalsContact O-CD2 3.28Å; S780-Y784 WeakPolarHBondContact O-CD2 3.2Å; S780-Y784 PolarHBondContact O-N 3.3Å |
| 781 | L | 86.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.6 | -42.5 | 177.5 | -179.2 | 65.9 | 0 | 0 | 0 | 111.5 | V759 V776 S777 C778 G785 I847 L878 M882 | V759-L781 HydrophobicContact CG1-CD1 4.26Å; V759-L781 HydrophobicContact CG1-CD2 4.15Å; V776-L781 HydrophobicContact CG1-CB 4.4Å; S777-L781 PolarHBondContact O-N 3.16Å; C778-L781 WeakPolarHBondContact O-CB 3.49Å; C778-L781 PolarHBondContact O-N 2.72Å; L781-G785 WeakPolarHBondContact O-CA 3.33Å; L781-G785 PolarHBondContact O-N 3.18Å; L781-I847 HydrophobicContact CD1-CD1 3.39Å; L781-L878 HydrophobicContact CD2-CD2 4.14Å; L781-L878 HydrophobicContact CD2-CG 4.01Å; L781-M882 HydrophobicContact CD1-SD 3.97Å; L781-M882 HydrophobicContact CD2-CB 4.49Å; L781-M882 HydrophobicContact CD2-SD 4.42Å; L781-M882 HydrophobicContact CG-CG 4.48Å; L781-M882 HydrophobicContact CG-SD 3.75Å |
| 782 | Y | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -76.3 | -31.3 | 177.6 | -86.7 | -109.5 | 0 | 0 | 0 | 114.1 | P534 W679 C778 A779 S780 Y787 R788 M882 E885 | P534-Y782 VanDerWaalsContact CB-OH 3.24Å; P534-Y782 WeakPolarHBondContact CB-OH 3.38Å; P534-Y782 HydrophobicContact CG-CE2 4.36Å; P534-Y782 VanDerWaalsContact CG-OH 3.31Å; P534-Y782 WeakPolarHBondContact CG-OH 3.37Å; W679-Y782 HydrophobicContact CH2-CD1 4.35Å; W679-Y782 AromaticContact CH2-CD2 3.87Å; W679-Y782 HydrophobicContact CH2-CD2 3.87Å; W679-Y782 HydrophobicContact CH2-CE1 4.2Å; W679-Y782 AromaticContact CH2-CE2 3.66Å; W679-Y782 HydrophobicContact CH2-CE2 3.66Å; W679-Y782 HydrophobicContact CH2-CG 4.19Å; W679-Y782 AromaticContact CH2-CZ 3.83Å; W679-Y782 HydrophobicContact CZ3-CD1 4.32Å; W679-Y782 AromaticContact CZ3-CD2 3.53Å; W679-Y782 HydrophobicContact CZ3-CD2 3.53Å; W679-Y782 AromaticContact CZ3-CE2 3.83Å; W679-Y782 HydrophobicContact CZ3-CE2 3.83Å; W679-Y782 AromaticContact CZ3-CG 3.78Å; W679-Y782 HydrophobicContact CZ3-CG 3.78Å; C778-Y782 WeakPolarHBondContact O-CD2 3.42Å; C778-Y782 PolarHBondContact O-N 3.1Å; A779-Y782 PolarHBondContact O-N 2.94Å; S780-Y782 VanDerWaalsContact C-N 3.27Å; S780-Y782 PolarHBondContact O-N 3.32Å; Y782-Y787 AromaticContact CD1-CD1 3.75Å; Y782-Y787 HydrophobicContact CD1-CD1 3.75Å; Y782-Y787 AromaticContact CD1-CD2 3.79Å; Y782-Y787 HydrophobicContact CD1-CD2 3.79Å; Y782-Y787 HydrophobicContact CD1-CE1 4.26Å; Y782-Y787 HydrophobicContact CD1-CE2 4.3Å; Y782-Y787 AromaticContact CD1-CG 3.48Å; Y782-Y787 HydrophobicContact CD1-CG 3.48Å; Y782-Y787 VanDerWaalsContact CD1-CG 3.48Å; Y782-Y787 HydrophobicContact CE1-CD1 4.47Å; Y782-Y787 AromaticContact CE1-CD2 3.74Å; Y782-Y787 HydrophobicContact CE1-CD2 3.74Å; Y782-Y787 HydrophobicContact CE1-CE2 4.1Å; Y782-Y787 AromaticContact CE1-CG 3.94Å; Y782-Y787 HydrophobicContact CE1-CG 3.94Å; Y782-R788 PolarHBondContact O-N 3.48Å; Y782-M882 HydrophobicContact CD1-CG 4.4Å; Y782-M882 HydrophobicContact CD2-CB 4.34Å; Y782-M882 HydrophobicContact CD2-CG 3.91Å; Y782-M882 HydrophobicContact CE1-CG 4.21Å; Y782-M882 HydrophobicContact CE2-CB 3.69Å; Y782-M882 HydrophobicContact CE2-CG 3.73Å; Y782-M882 HydrophobicContact CG-CG 4.27Å; Y782-M882 WeakPolarHBondContact OH-CA 3.35Å; Y782-E885 HydrophobicContact CE1-CB 4.45Å; Y782-E885 WeakPolarHBondContact CE1-OE2 3.15Å; Y782-E885 VanDerWaalsContact OH-CD 3.26Å; Y782-E885 PolarHBondContact OH-OE2 2.94Å |
| 783 | C | 85.7 | Confident | 86.1 | Confident | 8 Ų | 8 | 14.2 Ų | 14.2 | 5% | 0.054 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71.9 | -40.1 | 176.6 | -82.6 | 0 | 0 | 0 | 0 | 113.1 | I682 A741 A779 S780 R788 | I682-C783 WeakPolarHBondContact CD1-SG 3.44Å; A741-C783 HydrophobicContact CB-CB 4.32Å; A779-C783 VanDerWaalsContact O-CB 3.3Å; A779-C783 WeakPolarHBondContact O-CB 3.45Å; A779-C783 PolarHBondContact O-N 3.19Å; A779-C783 PolarHBondContact O-SG 2.78Å; A779-C783 VanDerWaalsContact O-SG 3.35Å; S780-C783 PolarHBondContact O-N 3.43Å; S780-C783 VanDerWaalsContact O-N 3.14Å; C783-R788 WeakPolarHBondContact O-CD 3.28Å |
| 784 | Y | 80.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 11.1 Ų | 11.1 | 6% | 0.059 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -97.4 | -14.2 | -178.8 | -67.2 | -80.7 | 0 | 0 | 0 | 112.8 | V738 A741 E743 P744 S780 C844 | V738-Y784 HydrophobicContact CG1-CE1 3.9Å; V738-Y784 PolarHBondContact O-OH 3.4Å; A741-Y784 HydrophobicContact CB-CE2 3.91Å; A741-Y784 PolarHBondContact O-OH 2.88Å; E743-Y784 HydrophobicContact CB-CE1 4.06Å; E743-Y784 HydrophobicContact CB-CE2 4.31Å; E743-Y784 WeakPolarHBondContact CB-OH 3.35Å; E743-Y784 HydrophobicContact CG-CD1 4.26Å; E743-Y784 HydrophobicContact CG-CE1 3.65Å; P744-Y784 HydrophobicContact CG-CD2 4.19Å; P744-Y784 HydrophobicContact CG-CG 4.11Å; S780-Y784 VanDerWaalsContact O-CD2 3.28Å; S780-Y784 WeakPolarHBondContact O-CD2 3.2Å; S780-Y784 PolarHBondContact O-N 3.3Å; Y784-C844 HydrophobicContact CD1-CB 3.97Å; Y784-C844 HydrophobicContact CE1-CB 4.33Å |
| 785 | G | 80.2 | Confident | 87.5 | Confident | 3 Ų | 3 | 10.8 Ų | 10.8 | 3% | 0.031 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -77.9 | -178.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | L781 Y787 | L781-G785 WeakPolarHBondContact O-CA 3.33Å; L781-G785 PolarHBondContact O-N 3.18Å; G785-Y787 PolarHBondContact O-N 3.36Å |
| 786 | P | 87.7 | Confident | 88 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.2 | -27.6 | -179.3 | 22.9 | -33.6 | 0 | 0 | 0 | 113.6 | R788 R789 V790 S827 F828 M882 F883 | P786-R788 PolarHBondContact O-N 3.44Å; P786-R789 PolarHBondContact O-N 3.29Å; P786-V790 WeakPolarHBondContact O-CB 3.29Å; P786-V790 VanDerWaalsContact O-CG2 3.26Å; P786-V790 WeakPolarHBondContact O-CG2 3.44Å; P786-V790 PolarHBondContact O-N 3.39Å; P786-S827 WeakPolarHBondContact CB-O 3.27Å; P786-F828 HydrophobicContact CB-CD1 4.07Å; P786-F828 HydrophobicContact CB-CE1 3.94Å; P786-F828 HydrophobicContact CB-CZ 4.3Å; P786-F828 HydrophobicContact CG-CD1 4.29Å; P786-F828 HydrophobicContact CG-CE1 4.2Å; P786-M882 HydrophobicContact CG-CE 3.91Å; P786-F883 HydrophobicContact CG-CD1 3.79Å; P786-F883 HydrophobicContact CG-CE1 3.74Å |
| 787 | Y | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.5 | -54.5 | -170.5 | -172.5 | -88.1 | 0 | 0 | 0 | 113.4 | H614 I682 T686 Y782 G785 R789 L791 E885 S886 L889 | H614-Y787 PolarHBondContact CD2-OH 3.48Å; H614-Y787 AromaticContact NE2-CZ 3.8Å; H614-Y787 PolarHBondContact NE2-OH 3.35Å; I682-Y787 HydrophobicContact CG2-CE1 4.22Å; T686-Y787 HydrophobicContact CG2-CE1 4.4Å; T686-Y787 VanDerWaalsContact CG2-OH 3.31Å; T686-Y787 WeakPolarHBondContact CG2-OH 3.48Å; T686-Y787 PolarHBondContact OG1-OH 3.17Å; Y782-Y787 AromaticContact CD1-CD1 3.75Å; Y782-Y787 HydrophobicContact CD1-CD1 3.75Å; Y782-Y787 AromaticContact CD1-CD2 3.79Å; Y782-Y787 HydrophobicContact CD1-CD2 3.79Å; Y782-Y787 HydrophobicContact CD1-CE1 4.26Å; Y782-Y787 HydrophobicContact CD1-CE2 4.3Å; Y782-Y787 AromaticContact CD1-CG 3.48Å; Y782-Y787 HydrophobicContact CD1-CG 3.48Å; Y782-Y787 VanDerWaalsContact CD1-CG 3.48Å; Y782-Y787 HydrophobicContact CE1-CD1 4.47Å; Y782-Y787 AromaticContact CE1-CD2 3.74Å; Y782-Y787 HydrophobicContact CE1-CD2 3.74Å; Y782-Y787 HydrophobicContact CE1-CE2 4.1Å; Y782-Y787 AromaticContact CE1-CG 3.94Å; Y782-Y787 HydrophobicContact CE1-CG 3.94Å; G785-Y787 PolarHBondContact O-N 3.36Å; Y787-R789 PolarHBondContact O-N 2.8Å; Y787-L791 PolarHBondContact O-N 2.9Å; Y787-L791 VanDerWaalsContact O-N 3.13Å; Y787-E885 HydrophobicContact CD2-CB 4.25Å; Y787-E885 HydrophobicContact CE2-CB 4.12Å; Y787-S886 VanDerWaalsContact CA-OG 3.29Å; Y787-S886 WeakPolarHBondContact CA-OG 3.15Å; Y787-S886 WeakPolarHBondContact CB-OG 3.42Å; Y787-S886 PolarHBondContact N-OG 3.18Å; Y787-L889 HydrophobicContact CD2-CD2 4.29Å; Y787-L889 HydrophobicContact CE1-CD2 4.26Å; Y787-L889 HydrophobicContact CE2-CB 4.5Å; Y787-L889 HydrophobicContact CE2-CD2 3.98Å |
| 788 | R | 89.3 | Confident | 88.4 | Confident | 42 Ų | 42 | 10.7 Ų | 10.7 | 16% | 0.158 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 178.4 | 177.9 | 177.5 | 157.4 | -106.3 | -8.4 | 111.8 | L734 N735 Y782 C783 P786 L791 S792 | L734-R788 HydrophobicContact CD1-CG 4.12Å; L734-R788 HydrophobicContact CD2-CG 3.53Å; L734-R788 HydrophobicContact CG-CG 3.86Å; L734-R788 PolarHBondContact O-NE 3.17Å; N735-R788 PolarHBondContact OD1-NH2 3.1Å; Y782-R788 PolarHBondContact O-N 3.48Å; C783-R788 WeakPolarHBondContact O-CD 3.28Å; P786-R788 PolarHBondContact O-N 3.44Å; R788-L791 WeakPolarHBondContact O-CB 3.33Å; R788-L791 PolarHBondContact O-N 3.44Å; R788-S792 PolarHBondContact O-N 3.39Å; R788-S792 PolarHBondContact O-OG 2.92Å |
| 789 | R | 85 | Confident | 88.4 | Confident | 48 Ų | 48 | 11 Ų | 11 | 18% | 0.181 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | -177.3 | -172.8 | 174.8 | 177.3 | -177.3 | -1.7 | 111.4 | P786 Y787 L791 S792 I793 S827 | P786-R789 PolarHBondContact O-N 3.29Å; Y787-R789 PolarHBondContact O-N 2.8Å; R789-L791 VanDerWaalsContact C-N 3.28Å; R789-L791 PolarHBondContact O-N 3.49Å; R789-S792 PolarHBondContact O-N 3.23Å; R789-I793 HydrophobicContact CG-CD1 3.63Å; R789-I793 HydrophobicContact CG-CG1 4.33Å; R789-I793 WeakPolarHBondContact O-CB 3.44Å; R789-I793 VanDerWaalsContact O-CG1 3.25Å; R789-I793 WeakPolarHBondContact O-CG1 3.2Å; R789-I793 PolarHBondContact O-N 2.65Å; R789-S827 VanDerWaalsContact CD-OG 3.22Å; R789-S827 WeakPolarHBondContact CD-OG 3.43Å; R789-S827 VanDerWaalsContact CG-OG 3.32Å; R789-S827 WeakPolarHBondContact CG-OG 3.49Å; R789-S827 PolarHBondContact NE-OG 3.45Å |
| 790 | V | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -54.6 | -46.5 | 171.9 | 158.2 | 0 | 0 | 0 | 0 | 110.9 | P786 G794 F828 L889 V890 L893 | P786-V790 WeakPolarHBondContact O-CB 3.29Å; P786-V790 VanDerWaalsContact O-CG2 3.26Å; P786-V790 WeakPolarHBondContact O-CG2 3.44Å; P786-V790 PolarHBondContact O-N 3.39Å; V790-G794 PolarHBondContact O-N 3.37Å; V790-F828 HydrophobicContact CG2-CE2 3.8Å; V790-F828 HydrophobicContact CG2-CZ 3.82Å; V790-L889 HydrophobicContact CG1-CB 4.25Å; V790-L889 HydrophobicContact CG1-CD2 3.92Å; V790-L889 HydrophobicContact CG1-CG 3.89Å; V790-V890 HydrophobicContact CB-CG2 3.9Å; V790-V890 HydrophobicContact CG1-CB 4.17Å; V790-V890 HydrophobicContact CG1-CG2 3.24Å; V790-V890 HydrophobicContact CG2-CG2 3.37Å; V790-L893 HydrophobicContact CG1-CD1 3.98Å |
| 791 | L | 92.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.2 | -50.1 | 179.2 | -175.4 | 57.5 | 0 | 0 | 0 | 111.5 | T686 A689 L734 Y787 R788 R789 G794 I795 L889 | T686-L791 HydrophobicContact CG2-CD1 4.08Å; T686-L791 HydrophobicContact CG2-CD2 3.98Å; A689-L791 HydrophobicContact CB-CD1 4Å; L734-L791 HydrophobicContact CD1-CD2 3.56Å; L734-L791 HydrophobicContact CD1-CG 4.22Å; Y787-L791 PolarHBondContact O-N 2.9Å; Y787-L791 VanDerWaalsContact O-N 3.13Å; R788-L791 WeakPolarHBondContact O-CB 3.33Å; R788-L791 PolarHBondContact O-N 3.44Å; R789-L791 VanDerWaalsContact C-N 3.28Å; R789-L791 PolarHBondContact O-N 3.49Å; L791-G794 PolarHBondContact O-N 3.33Å; L791-I795 HydrophobicContact CD1-CD1 4.01Å; L791-I795 HydrophobicContact CD1-CG1 4.35Å; L791-I795 HydrophobicContact CG-CD1 3.95Å; L791-I795 WeakPolarHBondContact O-CD1 3.5Å; L791-I795 VanDerWaalsContact O-CG1 3.23Å; L791-I795 WeakPolarHBondContact O-CG1 3.23Å; L791-I795 PolarHBondContact O-N 3.36Å; L791-L889 HydrophobicContact CB-CD2 3.97Å; L791-L889 HydrophobicContact CD1-CD1 4.44Å; L791-L889 HydrophobicContact CD1-CD2 4.31Å |
| 792 | S | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 11.2 Ų | 11.2 | 8% | 0.084 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.4 | -53.8 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | L734 R788 R789 G794 I795 E796 | L734-S792 WeakPolarHBondContact CD2-OG 3.44Å; R788-S792 PolarHBondContact O-N 3.39Å; R788-S792 PolarHBondContact O-OG 2.92Å; R789-S792 PolarHBondContact O-N 3.23Å; S792-G794 VanDerWaalsContact C-N 3.31Å; S792-G794 PolarHBondContact O-N 3.16Å; S792-I795 PolarHBondContact O-N 3.49Å; S792-E796 WeakPolarHBondContact O-CG 3.3Å; S792-E796 PolarHBondContact O-N 3.25Å |
| 793 | I | 89.7 | Confident | 87.7 | Confident | 10 Ų | 10 | 12 Ų | 12 | 5% | 0.051 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | -177.1 | -64.8 | 168.9 | 0 | 0 | 0 | 110.2 | R789 I795 E796 L797 L820 S823 L824 | R789-I793 HydrophobicContact CG-CD1 3.63Å; R789-I793 HydrophobicContact CG-CG1 4.33Å; R789-I793 WeakPolarHBondContact O-CB 3.44Å; R789-I793 VanDerWaalsContact O-CG1 3.25Å; R789-I793 WeakPolarHBondContact O-CG1 3.2Å; R789-I793 PolarHBondContact O-N 2.65Å; I793-I795 PolarHBondContact O-N 3.17Å; I793-E796 PolarHBondContact O-N 3.13Å; I793-L797 HydrophobicContact CG2-CD1 3.94Å; I793-L797 HydrophobicContact CG2-CG 4.27Å; I793-L797 WeakPolarHBondContact O-CB 3.49Å; I793-L797 VanDerWaalsContact O-CG 3.27Å; I793-L797 WeakPolarHBondContact O-CG 3.38Å; I793-L797 PolarHBondContact O-N 2.87Å; I793-L820 HydrophobicContact CG2-CB 4.3Å; I793-L820 HydrophobicContact CG2-CD2 4.37Å; I793-L820 WeakPolarHBondContact CG2-O 3.42Å; I793-S823 WeakPolarHBondContact CD1-O 3.32Å; I793-L824 HydrophobicContact CB-CD1 4.13Å; I793-L824 HydrophobicContact CG2-CB 4.01Å; I793-L824 HydrophobicContact CG2-CD1 3.86Å |
| 794 | G | 91 | Very high | 87.4 | Confident | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V790 L791 S792 L797 I798 | V790-G794 PolarHBondContact O-N 3.37Å; L791-G794 PolarHBondContact O-N 3.33Å; S792-G794 VanDerWaalsContact C-N 3.31Å; S792-G794 PolarHBondContact O-N 3.16Å; G794-L797 PolarHBondContact O-N 3.06Å; G794-I798 VanDerWaalsContact O-CG1 3.26Å; G794-I798 WeakPolarHBondContact O-CG1 3.1Å; G794-I798 PolarHBondContact O-N 3Å; G794-I798 VanDerWaalsContact O-N 3.1Å |
| 795 | I | 90.7 | Very high | 87.3 | Confident | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.015 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 175.7 | -67.4 | 164.1 | 0 | 0 | 0 | 110.7 | A689 L727 L791 S792 I793 L797 I798 L799 | A689-I795 HydrophobicContact CB-CD1 3.65Å; A689-I795 HydrophobicContact CB-CG1 4.19Å; L727-I795 HydrophobicContact CB-CG2 4.02Å; L727-I795 HydrophobicContact CD2-CG1 4.29Å; L727-I795 HydrophobicContact CD2-CG2 4.01Å; L727-I795 HydrophobicContact CG-CG2 4.44Å; L791-I795 HydrophobicContact CD1-CD1 4.01Å; L791-I795 HydrophobicContact CD1-CG1 4.35Å; L791-I795 HydrophobicContact CG-CD1 3.95Å; L791-I795 WeakPolarHBondContact O-CD1 3.5Å; L791-I795 VanDerWaalsContact O-CG1 3.23Å; L791-I795 WeakPolarHBondContact O-CG1 3.23Å; L791-I795 PolarHBondContact O-N 3.36Å; S792-I795 PolarHBondContact O-N 3.49Å; I793-I795 PolarHBondContact O-N 3.17Å; I795-L797 VanDerWaalsContact C-N 3.34Å; I795-L797 PolarHBondContact O-N 2.82Å; I795-I798 PolarHBondContact O-N 3.26Å; I795-L799 HydrophobicContact CG2-CD1 3.79Å; I795-L799 HydrophobicContact CG2-CG 4.31Å; I795-L799 WeakPolarHBondContact O-CB 3.45Å; I795-L799 WeakPolarHBondContact O-CG 3.44Å; I795-L799 PolarHBondContact O-N 3.46Å |
| 796 | E | 90.4 | Very high | 86.9 | Confident | 58 Ų | 58 | 13.9 Ų | 13.9 | 27% | 0.271 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 179 | -73.7 | 175.3 | -166.3 | 0 | 0 | 112.3 | L731 S792 I793 L799 G800 L820 | L731-E796 HydrophobicContact CD1-CG 4.37Å; L731-E796 HydrophobicContact CD2-CG 3.83Å; S792-E796 WeakPolarHBondContact O-CG 3.3Å; S792-E796 PolarHBondContact O-N 3.25Å; I793-E796 PolarHBondContact O-N 3.13Å; E796-L799 PolarHBondContact O-N 2.8Å; E796-G800 PolarHBondContact O-N 2.54Å; E796-L820 HydrophobicContact CB-CD1 4.03Å; E796-L820 HydrophobicContact CB-CD2 4.38Å; E796-L820 WeakPolarHBondContact OE2-CD2 3.48Å |
| 797 | L | 90 | Very high | 85.7 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 174.6 | -76.4 | 170.3 | 0 | 0 | 0 | 111.9 | I793 G794 I795 G800 L801 F812 L820 L821 L824 I897 F941 | I793-L797 HydrophobicContact CG2-CD1 3.94Å; I793-L797 HydrophobicContact CG2-CG 4.27Å; I793-L797 WeakPolarHBondContact O-CB 3.49Å; I793-L797 VanDerWaalsContact O-CG 3.27Å; I793-L797 WeakPolarHBondContact O-CG 3.38Å; I793-L797 PolarHBondContact O-N 2.87Å; G794-L797 PolarHBondContact O-N 3.06Å; I795-L797 VanDerWaalsContact C-N 3.34Å; I795-L797 PolarHBondContact O-N 2.82Å; L797-G800 PolarHBondContact O-N 2.83Å; L797-L801 WeakPolarHBondContact O-CB 3.36Å; L797-L801 PolarHBondContact O-N 3.42Å; L797-F812 HydrophobicContact CD2-CZ 4.42Å; L797-L820 HydrophobicContact CD2-CB 3.6Å; L797-L820 HydrophobicContact CD2-CD1 4.19Å; L797-L820 HydrophobicContact CG-CB 4.04Å; L797-L820 HydrophobicContact CG-CD1 4.48Å; L797-L821 HydrophobicContact CD1-CD2 4.14Å; L797-L821 HydrophobicContact CD2-CD2 3.94Å; L797-L821 HydrophobicContact CD2-CG 4.03Å; L797-L824 HydrophobicContact CD1-CD2 4.22Å; L797-I897 HydrophobicContact CB-CD1 3.83Å; L797-I897 HydrophobicContact CD1-CD1 4.09Å; L797-F941 HydrophobicContact CD2-CE2 4Å; L797-F941 HydrophobicContact CD2-CZ 4.24Å |
| 798 | I | 89.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.1 | -40.6 | 179.7 | -62.2 | 170.5 | 0 | 0 | 0 | 110.7 | A693 L696 V697 G794 I795 L801 H802 L893 M896 I897 | A693-I798 HydrophobicContact CB-CD1 3.8Å; L696-I798 HydrophobicContact CB-CG2 4.23Å; L696-I798 HydrophobicContact CD2-CG2 3.81Å; L696-I798 HydrophobicContact CG-CG2 4.23Å; V697-I798 HydrophobicContact CG2-CD1 4.48Å; V697-I798 HydrophobicContact CG2-CG2 4.05Å; G794-I798 VanDerWaalsContact O-CG1 3.26Å; G794-I798 WeakPolarHBondContact O-CG1 3.1Å; G794-I798 PolarHBondContact O-N 3Å; G794-I798 VanDerWaalsContact O-N 3.1Å; I795-I798 PolarHBondContact O-N 3.26Å; I798-L801 PolarHBondContact O-N 3.47Å; I798-H802 WeakPolarHBondContact O-CB 3.09Å; I798-H802 PolarHBondContact O-N 2.94Å; I798-L893 HydrophobicContact CD1-CD2 4.05Å; I798-M896 HydrophobicContact CD1-CE 4.3Å; I798-I897 HydrophobicContact CD1-CG1 4.42Å; I798-I897 HydrophobicContact CG1-CD1 4.23Å; I798-I897 HydrophobicContact CG1-CG1 3.74Å |
| 799 | L | 88.2 | Confident | 82.8 | Confident | 21 Ų | 21 | 24.6 Ų | 24.6 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 173.4 | -75.9 | 172.4 | 0 | 0 | 0 | 111.8 | L696 V724 L727 I795 E796 H802 S803 | L696-L799 HydrophobicContact CD2-CD2 3.88Å; L696-L799 HydrophobicContact CD2-CG 4.49Å; V724-L799 HydrophobicContact CB-CD2 4.42Å; V724-L799 HydrophobicContact CG1-CD2 4.06Å; V724-L799 HydrophobicContact CG2-CD2 4.42Å; L727-L799 HydrophobicContact CB-CD1 4.1Å; L727-L799 HydrophobicContact CB-CD2 4.06Å; L727-L799 HydrophobicContact CB-CG 4.29Å; L727-L799 HydrophobicContact CD1-CD2 4.06Å; L727-L799 HydrophobicContact CD1-CG 4.32Å; I795-L799 HydrophobicContact CG2-CD1 3.79Å; I795-L799 HydrophobicContact CG2-CG 4.31Å; I795-L799 WeakPolarHBondContact O-CB 3.45Å; I795-L799 WeakPolarHBondContact O-CG 3.44Å; I795-L799 PolarHBondContact O-N 3.46Å; E796-L799 PolarHBondContact O-N 2.8Å; L799-H802 PolarHBondContact O-N 2.91Å; L799-S803 PolarHBondContact O-N 2.79Å |
| 800 | G | 85.9 | Confident | 81.5 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E796 L797 H802 S803 L804 | E796-G800 PolarHBondContact O-N 2.54Å; L797-G800 PolarHBondContact O-N 2.83Å; G800-H802 VanDerWaalsContact C-N 3.33Å; G800-H802 PolarHBondContact O-N 3.05Å; G800-S803 PolarHBondContact O-N 3.05Å; G800-S803 PolarHBondContact O-OG 3.42Å; G800-L804 PolarHBondContact O-N 3.24Å |
| 801 | L | 84.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 176.6 | -170.4 | 70 | 0 | 0 | 0 | 111.8 | I700 L797 I798 L804 V805 A900 L901 L938 F941 | I700-L801 HydrophobicContact CD1-CB 4.19Å; I700-L801 HydrophobicContact CD1-CD2 3.96Å; I700-L801 HydrophobicContact CD1-CG 4.06Å; I700-L801 HydrophobicContact CG2-CD2 4.18Å; I700-L801 HydrophobicContact CG2-CG 4.31Å; L797-L801 WeakPolarHBondContact O-CB 3.36Å; L797-L801 PolarHBondContact O-N 3.42Å; I798-L801 PolarHBondContact O-N 3.47Å; L801-L804 PolarHBondContact O-N 3.21Å; L801-V805 WeakPolarHBondContact O-CG2 3.4Å; L801-V805 PolarHBondContact O-N 3.48Å; L801-A900 HydrophobicContact CD2-CB 3.54Å; L801-L901 HydrophobicContact CD1-CD2 4.14Å; L801-L938 HydrophobicContact CD1-CD2 3.59Å; L801-F941 HydrophobicContact CD1-CD1 4.35Å; L801-F941 HydrophobicContact CD1-CE1 4.38Å; L801-F941 HydrophobicContact CD1-CG 4.45Å |
| 802 | H | 84.4 | Confident | 79.4 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.1 | 179.5 | -94 | 0 | 0 | 0 | 112.8 | L696 I700 V719 I798 L799 G800 L804 V805 S806 | L696-H802 HydrophobicContact CD1-CB 3.97Å; L696-H802 WeakPolarHBondContact CD1-CD2 3.22Å; L696-H802 VanDerWaalsContact CD1-CG 3.45Å; L696-H802 HydrophobicContact CD2-CB 3.89Å; L696-H802 HydrophobicContact CG-CB 3.88Å; I700-H802 HydrophobicContact CD1-CB 3.95Å; I700-H802 HydrophobicContact CG1-CB 4.12Å; V719-H802 VanDerWaalsContact CG1-CE1 3.42Å; V719-H802 WeakPolarHBondContact CG1-CE1 3.42Å; I798-H802 WeakPolarHBondContact O-CB 3.09Å; I798-H802 PolarHBondContact O-N 2.94Å; L799-H802 PolarHBondContact O-N 2.91Å; G800-H802 VanDerWaalsContact C-N 3.33Å; G800-H802 PolarHBondContact O-N 3.05Å; H802-L804 VanDerWaalsContact C-N 3.31Å; H802-L804 PolarHBondContact O-N 3.05Å; H802-V805 PolarHBondContact O-N 3.19Å; H802-S806 PolarHBondContact NE2-OG 2.92Å; H802-S806 WeakPolarHBondContact O-CB 3.12Å; H802-S806 PolarHBondContact O-N 3.28Å; H802-S806 PolarHBondContact O-OG 2.9Å |
| 803 | S | 83.2 | Confident | 78.7 | Confident | 16 Ų | 16 | 34.3 Ų | 34.3 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -36.4 | -179.2 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | L799 G800 V805 S806 E807 N808 T811 | L799-S803 PolarHBondContact O-N 2.79Å; G800-S803 PolarHBondContact O-N 3.05Å; G800-S803 PolarHBondContact O-OG 3.42Å; S803-V805 PolarHBondContact O-N 3.49Å; S803-S806 PolarHBondContact O-N 3.4Å; S803-E807 PolarHBondContact O-N 2.94Å; S803-E807 VanDerWaalsContact O-N 3.07Å; S803-N808 PolarHBondContact O-N 3.49Å; S803-T811 PolarHBondContact OG-OG1 3.25Å |
| 804 | L | 79.9 | Confident | 78 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -34.5 | 176.5 | -169.6 | 115.6 | 0 | 0 | 0 | 112.1 | G800 L801 H802 F812 I934 L937 L938 | G800-L804 PolarHBondContact O-N 3.24Å; L801-L804 PolarHBondContact O-N 3.21Å; H802-L804 VanDerWaalsContact C-N 3.31Å; H802-L804 PolarHBondContact O-N 3.05Å; L804-F812 HydrophobicContact CD1-CD1 4.38Å; L804-I934 HydrophobicContact CD2-CG2 3.92Å; L804-I934 HydrophobicContact CG-CG2 4.44Å; L804-L937 HydrophobicContact CD1-CB 3.88Å; L804-L937 HydrophobicContact CD1-CD1 3.99Å; L804-L937 HydrophobicContact CD1-CG 4.48Å; L804-L937 HydrophobicContact CD2-CB 4.41Å; L804-L938 HydrophobicContact CD2-CD1 4.45Å; L804-L938 HydrophobicContact CD2-CD2 3.46Å; L804-L938 VanDerWaalsContact CD2-CD2 3.46Å; L804-L938 HydrophobicContact CD2-CG 3.6Å |
| 805 | V | 77 | Confident | 77.4 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 10% | 0.097 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -89.1 | -30.7 | -177.2 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | I700 V703 L801 H802 S803 | I700-V805 HydrophobicContact CG2-CG2 4.38Å; V703-V805 HydrophobicContact CB-CG1 3.52Å; V703-V805 HydrophobicContact CG1-CG1 3.24Å; V703-V805 HydrophobicContact CG2-CG1 4.41Å; L801-V805 WeakPolarHBondContact O-CG2 3.4Å; L801-V805 PolarHBondContact O-N 3.48Å; H802-V805 PolarHBondContact O-N 3.19Å; S803-V805 PolarHBondContact O-N 3.49Å |
| 806 | S | 73.1 | Confident | 77 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -111.3 | -35.5 | -167.3 | -55 | 0 | 0 | 0 | 0 | 116.6 | H802 S803 | H802-S806 PolarHBondContact NE2-OG 2.92Å; H802-S806 WeakPolarHBondContact O-CB 3.12Å; H802-S806 PolarHBondContact O-N 3.28Å; H802-S806 PolarHBondContact O-OG 2.9Å; S803-S806 PolarHBondContact O-N 3.4Å |
| 807 | E | 62 | Low | 76.6 | Confident | 116 Ų | 116 | 45.2 Ų | 45.2 | 54% | 0.542 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -42.6 | -162.3 | -70.8 | -176.9 | 173.8 | 0 | 0 | 114.6 | S803 | S803-E807 PolarHBondContact O-N 2.94Å; S803-E807 VanDerWaalsContact O-N 3.07Å |
| 808 | N | 61.4 | Low | 76.4 | Confident | 106 Ų | 106 | 48.4 Ų | 48.4 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | trans | 170 | 140.6 | 168.1 | -92.7 | -43.3 | 0 | 0 | 0 | 109.6 | S803 S810 T811 | S803-N808 PolarHBondContact O-N 3.49Å; N808-S810 PolarHBondContact O-N 3.17Å; N808-T811 PolarHBondContact O-N 2.83Å; N808-T811 PolarHBondContact O-OG1 3.49Å; N808-T811 VanDerWaalsContact O-OG1 3.05Å | ||
| 809 | P | 58.2 | Low | 76.1 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 29% | 0.286 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10 | -177.9 | 21.9 | -30.9 | 0 | 0 | 0 | 115.5 | I934 L937 | P809-I934 HydrophobicContact CB-CG1 4.14Å; P809-I934 HydrophobicContact CG-CG1 4.13Å; P809-L937 HydrophobicContact CB-CD1 4.13Å |
| 810 | S | 57.5 | Low | 76.1 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 67% | 0.671 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -17.8 | -178.8 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | N808 | N808-S810 PolarHBondContact O-N 3.17Š|
| 811 | T | 64.3 | Low | 76.3 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -76.5 | -35.8 | -177.1 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | S803 N808 | S803-T811 PolarHBondContact OG-OG1 3.25Å; N808-T811 PolarHBondContact O-N 2.83Å; N808-T811 PolarHBondContact O-OG1 3.49Å; N808-T811 VanDerWaalsContact O-OG1 3.05Å |
| 812 | F | 74.7 | Confident | 76.4 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -109.4 | 84.4 | -179.2 | -163.3 | -120 | 0 | 0 | 0 | 110.7 | L797 L804 M817 L820 F941 | L797-F812 HydrophobicContact CD2-CZ 4.42Å; L804-F812 HydrophobicContact CD1-CD1 4.38Å; F812-M817 HydrophobicContact CD1-CB 4.32Å; F812-M817 HydrophobicContact CE1-CB 3.64Å; F812-M817 HydrophobicContact CE1-CG 3.82Å; F812-M817 HydrophobicContact CE1-SD 4.48Å; F812-M817 HydrophobicContact CZ-CB 3.88Å; F812-M817 HydrophobicContact CZ-CG 4.25Å; F812-L820 HydrophobicContact CE2-CD1 3.79Å; F812-L820 HydrophobicContact CZ-CD1 4.13Å; F812-F941 HydrophobicContact CE1-CD2 4.03Å; F812-F941 HydrophobicContact CE1-CE2 4Å; F812-F941 HydrophobicContact CZ-CE2 4.45Å |
| 813 | T | 76.2 | Confident | 76.4 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | trans | -66.6 | 154.5 | -177.6 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | K815 S816 M817 | T813-K815 PolarHBondContact O-N 3.35Å; T813-S816 PolarHBondContact N-OG 3.03Å; T813-S816 VanDerWaalsContact N-OG 3.12Å; T813-S816 PolarHBondContact O-N 3.19Å; T813-S816 PolarHBondContact O-OG 2.99Å; T813-S816 PolarHBondContact OG1-N 2.91Å; T813-S816 VanDerWaalsContact OG1-N 3.16Å; T813-S816 PolarHBondContact OG1-OG 3.11Å; T813-M817 PolarHBondContact O-N 3.37Å | ||
| 814 | K | 75.9 | Confident | 76.7 | Confident | 101 Ų | 101 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.2 | -37.9 | 172.9 | -175.5 | 174.4 | 178.3 | 174.4 | 0 | 112.2 | M817 D818 | K814-M817 HydrophobicContact CG-CE 4.12Å; K814-M817 WeakPolarHBondContact O-CB 3.24Å; K814-M817 PolarHBondContact O-N 2.99Å; K814-D818 WeakPolarHBondContact O-CB 3.43Å; K814-D818 VanDerWaalsContact O-CG 3.26Å; K814-D818 PolarHBondContact O-N 2.87Å |
| 815 | K | 78.3 | Confident | 77 | Confident | 159 Ų | 159 | 55.6 Ų | 55.6 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 178.4 | -169.8 | -173.5 | 176.8 | -163.2 | 0 | 111.9 | T813 Y819 | T813-K815 PolarHBondContact O-N 3.35Å; K815-Y819 WeakPolarHBondContact O-CB 3.41Å; K815-Y819 PolarHBondContact O-N 3.44Å |
| 816 | S | 81.5 | Confident | 77.4 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | T813 Y819 L820 | T813-S816 PolarHBondContact N-OG 3.03Å; T813-S816 VanDerWaalsContact N-OG 3.12Å; T813-S816 PolarHBondContact O-N 3.19Å; T813-S816 PolarHBondContact O-OG 2.99Å; T813-S816 PolarHBondContact OG1-N 2.91Å; T813-S816 VanDerWaalsContact OG1-N 3.16Å; T813-S816 PolarHBondContact OG1-OG 3.11Å; S816-Y819 PolarHBondContact O-N 3.21Å; S816-L820 VanDerWaalsContact O-CG 3.32Å; S816-L820 WeakPolarHBondContact O-CG 3.5Å; S816-L820 PolarHBondContact O-N 2.86Å |
| 817 | M | 83.2 | Confident | 77.9 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -52.7 | 175.6 | 179 | -173.7 | 84.7 | 0 | 0 | 112.2 | F812 T813 K814 Y819 L820 L821 N940 F941 | F812-M817 HydrophobicContact CD1-CB 4.32Å; F812-M817 HydrophobicContact CE1-CB 3.64Å; F812-M817 HydrophobicContact CE1-CG 3.82Å; F812-M817 HydrophobicContact CE1-SD 4.48Å; F812-M817 HydrophobicContact CZ-CB 3.88Å; F812-M817 HydrophobicContact CZ-CG 4.25Å; T813-M817 PolarHBondContact O-N 3.37Å; K814-M817 HydrophobicContact CG-CE 4.12Å; K814-M817 WeakPolarHBondContact O-CB 3.24Å; K814-M817 PolarHBondContact O-N 2.99Å; M817-Y819 VanDerWaalsContact C-N 3.28Å; M817-Y819 PolarHBondContact O-N 3.46Å; M817-L820 PolarHBondContact O-N 3.24Å; M817-L821 HydrophobicContact CG-CD1 3.88Å; M817-L821 WeakPolarHBondContact O-CB 3.43Å; M817-L821 WeakPolarHBondContact O-CG 3.34Å; M817-L821 PolarHBondContact O-N 3.09Å; M817-N940 HydrophobicContact CE-CB 3.96Å; M817-F941 HydrophobicContact CE-CB 4.46Å; M817-F941 HydrophobicContact CG-CD2 3.5Å; M817-F941 HydrophobicContact CG-CE2 4.11Å; M817-F941 HydrophobicContact CG-CG 4.37Å; M817-F941 WeakPolarHBondContact SD-CA 3.47Å; M817-F941 HydrophobicContact SD-CB 3.45Å; M817-F941 WeakPolarHBondContact SD-CB 3.34Å; M817-F941 HydrophobicContact SD-CD2 3.46Å; M817-F941 WeakPolarHBondContact SD-CD2 3.49Å; M817-F941 HydrophobicContact SD-CG 3.88Å |
| 818 | D | 84 | Confident | 78.9 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 179.9 | -67.8 | -20 | 0 | 0 | 0 | 110.6 | K814 Q822 | K814-D818 WeakPolarHBondContact O-CB 3.43Å; K814-D818 VanDerWaalsContact O-CG 3.26Å; K814-D818 PolarHBondContact O-N 2.87Å; D818-Q822 WeakPolarHBondContact O-CB 3.27Å; D818-Q822 PolarHBondContact O-N 3.16Å |
| 819 | Y | 85 | Confident | 79.5 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 176 | 175.4 | -99.8 | 0 | 0 | 0 | 113.2 | K815 S816 M817 Q822 S823 I840 | K815-Y819 WeakPolarHBondContact O-CB 3.41Å; K815-Y819 PolarHBondContact O-N 3.44Å; S816-Y819 PolarHBondContact O-N 3.21Å; M817-Y819 VanDerWaalsContact C-N 3.28Å; M817-Y819 PolarHBondContact O-N 3.46Å; Y819-Q822 PolarHBondContact O-N 3.42Å; Y819-S823 WeakPolarHBondContact O-CB 3.5Å; Y819-S823 PolarHBondContact O-N 3.34Å; Y819-S823 PolarHBondContact O-OG 3.5Å; Y819-I840 HydrophobicContact CE1-CD1 4.15Å; Y819-I840 HydrophobicContact CE1-CG2 4.48Å |
| 820 | L | 87.2 | Confident | 79.3 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | -179.9 | -70.7 | 175.9 | 0 | 0 | 0 | 111.7 | I793 E796 L797 F812 S816 M817 Q822 S823 L824 | I793-L820 HydrophobicContact CG2-CB 4.3Å; I793-L820 HydrophobicContact CG2-CD2 4.37Å; I793-L820 WeakPolarHBondContact CG2-O 3.42Å; E796-L820 HydrophobicContact CB-CD1 4.03Å; E796-L820 HydrophobicContact CB-CD2 4.38Å; E796-L820 WeakPolarHBondContact OE2-CD2 3.48Å; L797-L820 HydrophobicContact CD2-CB 3.6Å; L797-L820 HydrophobicContact CD2-CD1 4.19Å; L797-L820 HydrophobicContact CG-CB 4.04Å; L797-L820 HydrophobicContact CG-CD1 4.48Å; F812-L820 HydrophobicContact CE2-CD1 3.79Å; F812-L820 HydrophobicContact CZ-CD1 4.13Å; S816-L820 VanDerWaalsContact O-CG 3.32Å; S816-L820 WeakPolarHBondContact O-CG 3.5Å; S816-L820 PolarHBondContact O-N 2.86Å; M817-L820 PolarHBondContact O-N 3.24Å; L820-Q822 VanDerWaalsContact C-N 3.32Å; L820-Q822 PolarHBondContact O-N 2.88Å; L820-S823 PolarHBondContact O-N 2.74Å; L820-L824 PolarHBondContact O-N 3.1Å |
| 821 | L | 89.6 | Confident | 78.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.7 | -72.5 | 172.2 | 0 | 0 | 0 | 111.7 | L797 M817 F941 L945 T948 | L797-L821 HydrophobicContact CD1-CD2 4.14Å; L797-L821 HydrophobicContact CD2-CD2 3.94Å; L797-L821 HydrophobicContact CD2-CG 4.03Å; M817-L821 HydrophobicContact CG-CD1 3.88Å; M817-L821 WeakPolarHBondContact O-CB 3.43Å; M817-L821 WeakPolarHBondContact O-CG 3.34Å; M817-L821 PolarHBondContact O-N 3.09Å; L821-F941 HydrophobicContact CD2-CZ 4.45Å; L821-L945 HydrophobicContact CD2-CB 4.4Å; L821-L945 HydrophobicContact CD2-CD1 3.97Å; L821-T948 VanDerWaalsContact O-CG2 3.26Å; L821-T948 WeakPolarHBondContact O-CG2 3.5Å; L821-T948 PolarHBondContact O-OG1 3.38Å |
| 822 | Q | 87 | Confident | 77.5 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.1 | -46.6 | 173.8 | 177.5 | 166.7 | -1.5 | 0 | 0 | 111.7 | D818 Y819 L820 L824 Y825 E826 | D818-Q822 WeakPolarHBondContact O-CB 3.27Å; D818-Q822 PolarHBondContact O-N 3.16Å; Y819-Q822 PolarHBondContact O-N 3.42Å; L820-Q822 VanDerWaalsContact C-N 3.32Å; L820-Q822 PolarHBondContact O-N 2.88Å; Q822-L824 PolarHBondContact O-N 3.37Å; Q822-Y825 HydrophobicContact CB-CE1 4.31Å; Q822-Y825 HydrophobicContact CG-CE1 4.15Å; Q822-Y825 VanDerWaalsContact O-CD1 3.25Å; Q822-Y825 WeakPolarHBondContact O-CD1 3.24Å; Q822-Y825 WeakPolarHBondContact O-CE1 3.4Å; Q822-Y825 PolarHBondContact O-N 3.43Å; Q822-E826 VanDerWaalsContact CG-CD 3.46Å; Q822-E826 HydrophobicContact CG-CG 4.22Å; Q822-E826 WeakPolarHBondContact CG-OE1 3.4Å; Q822-E826 PolarHBondContact NE2-OE1 2.88Å; Q822-E826 WeakPolarHBondContact O-CB 3.49Å; Q822-E826 WeakPolarHBondContact O-CG 3.4Å; Q822-E826 PolarHBondContact O-N 3.45Å |
| 823 | S | 86.2 | Confident | 75.7 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -28 | 179.4 | -67.5 | 0 | 0 | 0 | 0 | 113.3 | I793 Y819 L820 S827 | I793-S823 WeakPolarHBondContact CD1-O 3.32Å; Y819-S823 WeakPolarHBondContact O-CB 3.5Å; Y819-S823 PolarHBondContact O-N 3.34Å; Y819-S823 PolarHBondContact O-OG 3.5Å; L820-S823 PolarHBondContact O-N 2.74Å; S823-S827 PolarHBondContact O-N 3.27Å; S823-S827 PolarHBondContact O-OG 3.31Å |
| 824 | L | 87.7 | Confident | 73.5 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | -178.1 | -171.4 | 66.7 | 0 | 0 | 0 | 112.2 | I793 L797 L820 Q822 S827 V890 V894 T948 L952 | I793-L824 HydrophobicContact CB-CD1 4.13Å; I793-L824 HydrophobicContact CG2-CB 4.01Å; I793-L824 HydrophobicContact CG2-CD1 3.86Å; L797-L824 HydrophobicContact CD1-CD2 4.22Å; L820-L824 PolarHBondContact O-N 3.1Å; Q822-L824 PolarHBondContact O-N 3.37Å; L824-S827 WeakPolarHBondContact O-CB 3.18Å; L824-S827 PolarHBondContact O-OG 2.91Å; L824-V890 HydrophobicContact CD1-CG2 4.24Å; L824-V894 HydrophobicContact CD2-CG2 3.97Å; L824-T948 HydrophobicContact CB-CG2 4.1Å; L824-T948 HydrophobicContact CD2-CG2 3.93Å; L824-T948 HydrophobicContact CG-CG2 4.4Å; L824-L952 HydrophobicContact CD2-CD1 4.48Å |
| 825 | Y | 87.3 | Confident | 71.6 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -81.6 | -29.9 | 177.1 | 75.6 | -97.3 | 0 | 0 | 0 | 112 | Q822 S827 F828 L829 Y947 T948 K951 I955 | Q822-Y825 HydrophobicContact CB-CE1 4.31Å; Q822-Y825 HydrophobicContact CG-CE1 4.15Å; Q822-Y825 VanDerWaalsContact O-CD1 3.25Å; Q822-Y825 WeakPolarHBondContact O-CD1 3.24Å; Q822-Y825 WeakPolarHBondContact O-CE1 3.4Å; Q822-Y825 PolarHBondContact O-N 3.43Å; Y825-S827 PolarHBondContact O-N 3.29Å; Y825-F828 PolarHBondContact O-N 2.87Å; Y825-L829 HydrophobicContact CD2-CD1 3.92Å; Y825-L829 HydrophobicContact CE2-CD1 3.96Å; Y825-Y947 HydrophobicContact CE1-CD1 4.5Å; Y825-Y947 HydrophobicContact CE1-CE1 4.09Å; Y825-T948 HydrophobicContact CD1-CG2 4.17Å; Y825-K951 HydrophobicContact CD1-CB 4.12Å; Y825-K951 HydrophobicContact CD1-CG 4.32Å; Y825-K951 HydrophobicContact CD2-CB 3.85Å; Y825-K951 HydrophobicContact CD2-CG 4.17Å; Y825-K951 HydrophobicContact CE1-CG 4.29Å; Y825-K951 HydrophobicContact CE2-CB 4.36Å; Y825-K951 HydrophobicContact CE2-CG 4.17Å; Y825-K951 HydrophobicContact CG-CB 3.73Å; Y825-K951 HydrophobicContact CG-CG 4.26Å; Y825-I955 HydrophobicContact CD2-CD1 4.45Å |
| 826 | E | 85.3 | Confident | 69.6 | Low | 30 Ų | 30 | 57.2 Ų | 57.2 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -16.2 | 173.9 | -75 | -179.3 | 171.4 | 0 | 0 | 113.2 | Q822 F828 L829 F833 | Q822-E826 VanDerWaalsContact CG-CD 3.46Å; Q822-E826 HydrophobicContact CG-CG 4.22Å; Q822-E826 WeakPolarHBondContact CG-OE1 3.4Å; Q822-E826 PolarHBondContact NE2-OE1 2.88Å; Q822-E826 WeakPolarHBondContact O-CB 3.49Å; Q822-E826 WeakPolarHBondContact O-CG 3.4Å; Q822-E826 PolarHBondContact O-N 3.45Å; E826-F828 PolarHBondContact O-N 3.36Å; E826-F828 VanDerWaalsContact O-N 3.08Å; E826-L829 PolarHBondContact O-N 2.91Å; E826-L829 VanDerWaalsContact O-O 3.05Å; E826-F833 HydrophobicContact CB-CZ 4.1Å; E826-F833 WeakPolarHBondContact OE2-CE1 3.37Å; E826-F833 WeakPolarHBondContact OE2-CZ 3.45Å |
| 827 | S | 83 | Confident | 67.3 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.3 | 171.7 | -63.4 | 0 | 0 | 0 | 0 | 113 | P786 R789 S823 L824 Y825 | P786-S827 WeakPolarHBondContact CB-O 3.27Å; R789-S827 VanDerWaalsContact CD-OG 3.22Å; R789-S827 WeakPolarHBondContact CD-OG 3.43Å; R789-S827 VanDerWaalsContact CG-OG 3.32Å; R789-S827 WeakPolarHBondContact CG-OG 3.49Å; R789-S827 PolarHBondContact NE-OG 3.45Å; S823-S827 PolarHBondContact O-N 3.27Å; S823-S827 PolarHBondContact O-OG 3.31Å; L824-S827 WeakPolarHBondContact O-CB 3.18Å; L824-S827 PolarHBondContact O-OG 2.91Å; Y825-S827 PolarHBondContact O-N 3.29Å |
| 828 | F | 82.7 | Confident | 65.3 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -0.3 | 178.1 | -59 | -91.3 | 0 | 0 | 0 | 113.5 | P786 V790 Y825 E826 T849 F883 I887 V890 L952 I955 | P786-F828 HydrophobicContact CB-CD1 4.07Å; P786-F828 HydrophobicContact CB-CE1 3.94Å; P786-F828 HydrophobicContact CB-CZ 4.3Å; P786-F828 HydrophobicContact CG-CD1 4.29Å; P786-F828 HydrophobicContact CG-CE1 4.2Å; V790-F828 HydrophobicContact CG2-CE2 3.8Å; V790-F828 HydrophobicContact CG2-CZ 3.82Å; Y825-F828 PolarHBondContact O-N 2.87Å; E826-F828 PolarHBondContact O-N 3.36Å; E826-F828 VanDerWaalsContact O-N 3.08Å; F828-T849 HydrophobicContact CB-CG2 4.12Å; F828-T849 VanDerWaalsContact O-CG2 3.26Å; F828-T849 WeakPolarHBondContact O-CG2 3.39Å; F828-T849 PolarHBondContact O-N 2.98Å; F828-T849 PolarHBondContact O-OG1 3Å; F828-F883 AromaticContact CD1-CD1 3.85Å; F828-F883 HydrophobicContact CD1-CD1 3.85Å; F828-F883 HydrophobicContact CD1-CE1 4.17Å; F828-F883 HydrophobicContact CE1-CD1 4.27Å; F828-I887 HydrophobicContact CD1-CD1 4.14Å; F828-I887 HydrophobicContact CE1-CD1 3.56Å; F828-I887 HydrophobicContact CE1-CG1 3.93Å; F828-I887 HydrophobicContact CE2-CD1 4.21Å; F828-I887 HydrophobicContact CZ-CD1 3.61Å; F828-I887 HydrophobicContact CZ-CG1 4.27Å; F828-V890 HydrophobicContact CE2-CG2 3.86Å; F828-V890 HydrophobicContact CZ-CG2 3.95Å; F828-L952 HydrophobicContact CD2-CD2 4.22Å; F828-L952 HydrophobicContact CE2-CD2 4.03Å; F828-I955 HydrophobicContact CB-CD1 4.27Å; F828-I955 HydrophobicContact CB-CG2 3.91Å; F828-I955 HydrophobicContact CG-CG2 4.21Å |
| 829 | L | 75.4 | Confident | 63.2 | Low | 62 Ų | 62 | 70.4 Ų | 70.4 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -115.9 | 148.2 | -176.1 | -58.8 | 175.5 | 0 | 0 | 0 | 110.5 | Y825 E826 I955 | Y825-L829 HydrophobicContact CD2-CD1 3.92Å; Y825-L829 HydrophobicContact CE2-CD1 3.96Å; E826-L829 PolarHBondContact O-N 2.91Å; E826-L829 VanDerWaalsContact O-O 3.05Å; L829-I955 HydrophobicContact CG-CD1 4.5Å |
| 830 | Y | 54.1 | Low | 60.9 | Low | 116 Ų | 116 | 68.9 Ų | 68.9 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | trans | -81.3 | 124.6 | 175.8 | -171 | -98.6 | 0 | 0 | 0 | 112.2 | N848 | Y830-N848 WeakPolarHBondContact CB-ND2 3.14Å; Y830-N848 HydrophobicContact CD2-CB 4.25Å; Y830-N848 HydrophobicContact CG-CB 4.32Å; Y830-N848 PolarHBondContact N-OD1 3.15Å | ||
| 831 | G | 46.3 | Very low | 58.5 | Low | 32 Ų | 32 | 71.6 Ų | 71.6 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | trans | -151.8 | 131.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F833 | G831-F833 WeakPolarHBondContact O-CD2 3.45Å; G831-F833 WeakPolarHBondContact O-CE2 3.33Å; G831-F833 PolarHBondContact O-N 3.46Å; G831-F833 VanDerWaalsContact O-N 3.11Å | ||
| 832 | K | 36.6 | Very low | 56 | Low | 192 Ų | 192 | 83.3 Ų | 83.3 | 84% | 0.835 | 42% | 0.42 | S | S | * | . | trans | -69.9 | 98.3 | 160.5 | -85.4 | -176.6 | 176 | 178.7 | 0 | 107.1 | T834 | K832-T834 PolarHBondContact O-N 3.38Š| ||
| 833 | F | 36.5 | Very low | 53.8 | Low | 68 Ų | 68 | 81.8 Ų | 81.8 | 30% | 0.298 | 42% | 0.417 | S | S | . | . | trans | -83.6 | 105.7 | 175.8 | -66.3 | -80.6 | 0 | 0 | 0 | 109.3 | E826 G831 V843 | E826-F833 HydrophobicContact CB-CZ 4.1Å; E826-F833 WeakPolarHBondContact OE2-CE1 3.37Å; E826-F833 WeakPolarHBondContact OE2-CZ 3.45Å; G831-F833 WeakPolarHBondContact O-CD2 3.45Å; G831-F833 WeakPolarHBondContact O-CE2 3.33Å; G831-F833 PolarHBondContact O-N 3.46Å; G831-F833 VanDerWaalsContact O-N 3.11Å; F833-V843 HydrophobicContact CB-CB 4.48Å; F833-V843 HydrophobicContact CB-CG1 4.02Å; F833-V843 HydrophobicContact CB-CG2 4.44Å; F833-V843 HydrophobicContact CD2-CG1 4.21Å; F833-V843 HydrophobicContact CG-CG1 4.48Å | ||
| 834 | T | 29.9 | Very low | 51.6 | Low | 138 Ų | 138 | 83.6 Ų | 83.6 | 85% | 0.847 | 43% | 0.429 | S | S | * | . | trans | -90.3 | 101.6 | 164.6 | 51.1 | 0 | 0 | 0 | 0 | 108 | K832 | K832-T834 PolarHBondContact O-N 3.38Š| ||
| 835 | S | 36.2 | Very low | 49.6 | Very low | 50 Ų | 50 | 85.4 Ų | 85.4 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | trans | -120 | 117.7 | 162.7 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | D837 | S835-D837 PolarHBondContact O-N 3.45Š| ||
| 836 | E | 36 | Very low | 48 | Very low | 197 Ų | 197 | 85.1 Ų | 85.1 | 92% | 0.921 | 44% | 0.442 | S | S | * | . | trans | -77.9 | 3.2 | 172.2 | -68 | -174.9 | 157.2 | 0 | 0 | 112.8 | T838 | E836-T838 PolarHBondContact O-N 3.28Š| ||
| 837 | D | 33.9 | Very low | 46.5 | Very low | 94 Ų | 94 | 83.8 Ų | 83.8 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | trans | -75.5 | 114.8 | 179 | -77 | -25.7 | 0 | 0 | 0 | 110.9 | S835 D839 I840 | S835-D837 PolarHBondContact O-N 3.45Å; D837-D839 PolarHBondContact O-N 3.01Å; D837-D839 VanDerWaalsContact O-N 3.15Å; D837-I840 HydrophobicContact CB-CD1 3.89Å; D837-I840 HydrophobicContact CB-CG1 4.17Å; D837-I840 PolarHBondContact O-N 3.36Å | ||
| 838 | T | 40.7 | Very low | 45.3 | Very low | 136 Ų | 136 | 84.7 Ų | 84.7 | 83% | 0.834 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.8 | -173 | 47.7 | 0 | 0 | 0 | 0 | 115.3 | E836 | E836-T838 PolarHBondContact O-N 3.28Š|
| 839 | D | 39.7 | Very low | 44.1 | Very low | 155 Ų | 155 | 85.4 Ų | 85.4 | 83% | 0.829 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0 | -179.1 | -66.9 | -20.6 | 0 | 0 | 0 | 112.9 | D837 | D837-D839 PolarHBondContact O-N 3.01Å; D837-D839 VanDerWaalsContact O-N 3.15Å |
| 840 | I | 38 | Very low | 43.3 | Very low | 46 Ų | 46 | 86.9 Ų | 86.9 | 24% | 0.236 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -106.1 | 125.1 | -179.6 | -53 | 179.6 | 0 | 0 | 0 | 108.7 | Y819 D837 R842 | Y819-I840 HydrophobicContact CE1-CD1 4.15Å; Y819-I840 HydrophobicContact CE1-CG2 4.48Å; D837-I840 HydrophobicContact CB-CD1 3.89Å; D837-I840 HydrophobicContact CB-CG1 4.17Å; D837-I840 PolarHBondContact O-N 3.36Å; I840-R842 PolarHBondContact O-N 3.39Å |
| 841 | P | 37.2 | Very low | 43.5 | Very low | 70 Ų | 70 | 83.2 Ų | 83.2 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | trans | -54.8 | 136.9 | -178 | -22.6 | 30.7 | 0 | 0 | 0 | 112.1 | V843 | P841-V843 WeakPolarHBondContact O-CG2 3.23Å; P841-V843 PolarHBondContact O-N 3.14Å; P841-V843 VanDerWaalsContact O-N 3.12Å | ||
| 842 | R | 35.7 | Very low | 44.1 | Very low | 250 Ų | 250 | 82.3 Ų | 82.3 | 94% | 0.943 | 44% | 0.437 | S | S | * | . | trans | -45.6 | 119.2 | 175.1 | -79.5 | -178 | 175.9 | 174.3 | -1.2 | 110.5 | I840 | I840-R842 PolarHBondContact O-N 3.39Š| ||
| 843 | V | 41 | Very low | 45.4 | Very low | 57 Ų | 57 | 75 Ų | 75 | 35% | 0.345 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -83 | 117.9 | -166.8 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | F833 P841 | F833-V843 HydrophobicContact CB-CB 4.48Å; F833-V843 HydrophobicContact CB-CG1 4.02Å; F833-V843 HydrophobicContact CB-CG2 4.44Å; F833-V843 HydrophobicContact CD2-CG1 4.21Å; F833-V843 HydrophobicContact CG-CG1 4.48Å; P841-V843 WeakPolarHBondContact O-CG2 3.23Å; P841-V843 PolarHBondContact O-N 3.14Å; P841-V843 VanDerWaalsContact O-N 3.12Å |
| 844 | C | 41.5 | Very low | 46.4 | Very low | 41 Ų | 41 | 73.4 Ų | 73.4 | 28% | 0.277 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 148 | 171.6 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | Y784 A846 | Y784-C844 HydrophobicContact CD1-CB 3.97Å; Y784-C844 HydrophobicContact CE1-CB 4.33Å; C844-A846 PolarHBondContact O-N 2.92Å |
| 845 | P | 45.1 | Very low | 47.7 | Very low | 40 Ų | 40 | 67.2 Ų | 67.2 | 26% | 0.26 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 133.2 | 178 | 12.1 | -11.1 | 0 | 0 | 0 | 111.7 | T746 L749 | T746-P845 HydrophobicContact CG2-CG 4.32Å; L749-P845 HydrophobicContact CD1-CB 4.14Å; L749-P845 HydrophobicContact CD1-CG 3.75Å |
| 846 | A | 52.5 | Low | 48.7 | Very low | 13 Ų | 13 | 72.9 Ų | 72.9 | 11% | 0.107 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 149.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C844 N848 | C844-A846 PolarHBondContact O-N 2.92Å; A846-N848 PolarHBondContact O-N 3.34Å |
| 847 | I | 54.5 | Low | 49.5 | Very low | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 122.7 | 174.9 | -59.8 | 159.7 | 0 | 0 | 0 | 108.6 | L749 L755 L781 M882 F883 | L749-I847 HydrophobicContact CD2-CD1 4.16Å; L749-I847 HydrophobicContact CD2-CG1 3.55Å; L755-I847 HydrophobicContact CD2-CD1 3.55Å; L755-I847 HydrophobicContact CD2-CG1 3.79Å; L755-I847 HydrophobicContact CD2-CG2 3.9Å; L781-I847 HydrophobicContact CD1-CD1 3.39Å; I847-M882 HydrophobicContact CD1-CE 4.4Å; I847-M882 HydrophobicContact CD1-SD 4.49Å; I847-F883 HydrophobicContact CB-CZ 4.24Å; I847-F883 HydrophobicContact CG2-CE2 4.21Å; I847-F883 HydrophobicContact CG2-CZ 3.99Å; I847-F883 WeakPolarHBondContact O-CZ 3.45Å |
| 848 | N | 58.6 | Low | 50.5 | Low | 19 Ų | 19 | 66.3 Ų | 66.3 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 134.4 | -177.7 | -164.6 | -8.2 | 0 | 0 | 0 | 111.7 | Y830 A846 S850 L851 | Y830-N848 WeakPolarHBondContact CB-ND2 3.14Å; Y830-N848 HydrophobicContact CD2-CB 4.25Å; Y830-N848 HydrophobicContact CG-CB 4.32Å; Y830-N848 PolarHBondContact N-OD1 3.15Å; A846-N848 PolarHBondContact O-N 3.34Å; N848-S850 VanDerWaalsContact CG-OG 3.3Å; N848-S850 PolarHBondContact ND2-OG 3.43Å; N848-S850 PolarHBondContact O-N 2.91Å; N848-S850 WeakPolarHBondContact OD1-CB 3.4Å; N848-S850 PolarHBondContact OD1-N 3.29Å; N848-L851 HydrophobicContact CB-CB 4.35Å; N848-L851 HydrophobicContact CB-CD1 3.71Å; N848-L851 HydrophobicContact CB-CG 3.76Å; N848-L851 WeakPolarHBondContact O-CB 3.35Å; N848-L851 PolarHBondContact O-N 3.15Å |
| 849 | T | 56.7 | Low | 51.1 | Low | 16 Ų | 16 | 63.5 Ų | 63.5 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -61.3 | -30.1 | 165.5 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | F828 L851 L852 F883 I955 L959 | F828-T849 HydrophobicContact CB-CG2 4.12Å; F828-T849 VanDerWaalsContact O-CG2 3.26Å; F828-T849 WeakPolarHBondContact O-CG2 3.39Å; F828-T849 PolarHBondContact O-N 2.98Å; F828-T849 PolarHBondContact O-OG1 3Å; T849-L851 PolarHBondContact O-N 3.28Å; T849-L852 WeakPolarHBondContact O-CB 3.41Å; T849-L852 PolarHBondContact O-N 3.24Å; T849-L852 VanDerWaalsContact O-N 3.1Å; T849-F883 HydrophobicContact CG2-CD1 4.27Å; T849-F883 HydrophobicContact CG2-CE1 3.84Å; T849-F883 HydrophobicContact CG2-CZ 4.2Å; T849-I955 HydrophobicContact CG2-CG2 4.31Å; T849-L959 HydrophobicContact CG2-CD1 4.46Å; T849-L959 HydrophobicContact CG2-CD2 4.04Å; T849-L959 HydrophobicContact CG2-CG 4.33Å |
| 850 | S | 59.2 | Low | 51.5 | Low | 93 Ų | 93 | 57.5 Ų | 57.5 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -72.5 | -6.5 | 177.1 | 100.5 | 0 | 0 | 0 | 0 | 114.4 | N848 L852 | N848-S850 VanDerWaalsContact CG-OG 3.3Å; N848-S850 PolarHBondContact ND2-OG 3.43Å; N848-S850 PolarHBondContact O-N 2.91Å; N848-S850 WeakPolarHBondContact OD1-CB 3.4Å; N848-S850 PolarHBondContact OD1-N 3.29Å; S850-L852 VanDerWaalsContact C-N 3.3Å |
| 851 | L | 57.9 | Low | 51.9 | Low | 39 Ų | 39 | 59.9 Ų | 59.9 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -77.9 | -21.3 | 170.4 | -74.4 | 164.2 | 0 | 0 | 0 | 111.6 | L749 S750 L752 N848 T849 S853 | L749-L851 WeakPolarHBondContact O-CD1 3.27Å; S750-L851 WeakPolarHBondContact O-CD2 3.38Å; L752-L851 HydrophobicContact CB-CB 4.21Å; L752-L851 VanDerWaalsContact CD2-O 3.28Å; L752-L851 WeakPolarHBondContact CD2-O 3.4Å; N848-L851 HydrophobicContact CB-CB 4.35Å; N848-L851 HydrophobicContact CB-CD1 3.71Å; N848-L851 HydrophobicContact CB-CG 3.76Å; N848-L851 WeakPolarHBondContact O-CB 3.35Å; N848-L851 PolarHBondContact O-N 3.15Å; T849-L851 PolarHBondContact O-N 3.28Å; L851-S853 PolarHBondContact O-N 2.9Å; L851-S853 VanDerWaalsContact O-N 3.14Å |
| 852 | L | 59.9 | Low | 52.2 | Low | 13 Ų | 13 | 65.1 Ų | 65.1 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | trans | -75.4 | 100.3 | 178 | -57.9 | 167.3 | 0 | 0 | 0 | 109.1 | L752 T849 S850 I879 L880 F883 L959 V962 | L752-L852 HydrophobicContact CD1-CD2 3.92Å; L752-L852 HydrophobicContact CD2-CD2 4.16Å; T849-L852 WeakPolarHBondContact O-CB 3.41Å; T849-L852 PolarHBondContact O-N 3.24Å; T849-L852 VanDerWaalsContact O-N 3.1Å; S850-L852 VanDerWaalsContact C-N 3.3Å; L852-I879 HydrophobicContact CD2-CG2 4.19Å; L852-L880 HydrophobicContact CD1-CD2 3.71Å; L852-L880 HydrophobicContact CD2-CD2 4.21Å; L852-F883 HydrophobicContact CD1-CD2 4.01Å; L852-F883 HydrophobicContact CD1-CE2 3.87Å; L852-L959 HydrophobicContact CD1-CD2 3.64Å; L852-V962 HydrophobicContact CB-CG1 3.98Å | ||
| 853 | S | 62.6 | Low | 52.9 | Low | 38 Ų | 38 | 55.6 Ų | 55.6 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | trans | -91.3 | 157 | 176.2 | 40.3 | 0 | 0 | 0 | 0 | 111.3 | L851 W966 | L851-S853 PolarHBondContact O-N 2.9Å; L851-S853 VanDerWaalsContact O-N 3.14Å; S853-W966 PolarHBondContact O-NE1 2.61Å | ||
| 854 | S | 58 | Low | 53.2 | Low | 34 Ų | 34 | 60.2 Ų | 60.2 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | trans | -69.4 | 146.2 | 170.7 | 76.3 | 0 | 0 | 0 | 0 | 109.1 | K856 D857 | S854-K856 PolarHBondContact O-N 3.19Å; S854-D857 PolarHBondContact N-OD2 3.41Å; S854-D857 PolarHBondContact O-N 2.89Å; S854-D857 PolarHBondContact OG-OD2 3.41Å | ||
| 855 | P | 58.2 | Low | 53.6 | Low | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -57.8 | -22 | 177.7 | 18.2 | -28.2 | 0 | 0 | 0 | 112.9 | D857 V858 C965 W969 | P855-D857 PolarHBondContact O-N 3.41Å; P855-D857 VanDerWaalsContact O-N 3.17Å; P855-V858 PolarHBondContact O-N 2.92Å; P855-C965 HydrophobicContact CG-CB 4.43Å; P855-C965 WeakPolarHBondContact CG-O 2.96Å; P855-W969 HydrophobicContact CB-CB 3.9Å; P855-W969 HydrophobicContact CB-CD2 4.46Å; P855-W969 HydrophobicContact CB-CG 3.78Å; P855-W969 HydrophobicContact CG-CB 3.54Å; P855-W969 HydrophobicContact CG-CG 4Å |
| 856 | K | 55.8 | Low | 54.1 | Low | 168 Ų | 168 | 59.2 Ų | 59.2 | 73% | 0.73 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -57.5 | -28.5 | 175.1 | -69.4 | -176 | -179.5 | 176 | 0 | 113.8 | S854 V858 H859 | S854-K856 PolarHBondContact O-N 3.19Å; K856-V858 VanDerWaalsContact C-N 3.27Å; K856-H859 VanDerWaalsContact CA-CD2 3.44Å; K856-H859 WeakPolarHBondContact CA-CD2 3.26Å |
| 857 | D | 53.3 | Low | 54.3 | Low | 121 Ų | 121 | 58.9 Ų | 58.9 | 65% | 0.647 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -80.8 | -9 | -179.7 | -57.5 | -52.5 | 0 | 0 | 0 | 112.7 | S854 P855 | S854-D857 PolarHBondContact N-OD2 3.41Å; S854-D857 PolarHBondContact O-N 2.89Å; S854-D857 PolarHBondContact OG-OD2 3.41Å; P855-D857 PolarHBondContact O-N 3.41Å; P855-D857 VanDerWaalsContact O-N 3.17Å |
| 858 | V | 54.1 | Low | 54.1 | Low | 32 Ų | 32 | 61.3 Ų | 61.3 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -10.9 | -167.7 | -170.1 | 0 | 0 | 0 | 0 | 112.9 | P855 K856 F870 V871 | P855-V858 PolarHBondContact O-N 2.92Å; K856-V858 VanDerWaalsContact C-N 3.27Å; V858-F870 HydrophobicContact CG1-CD1 3.98Å; V858-F870 HydrophobicContact CG1-CE1 4.47Å; V858-F870 WeakPolarHBondContact O-CE1 3.48Å; V858-V871 HydrophobicContact CG1-CG2 4.2Å; V858-V871 HydrophobicContact CG2-CG2 4.36Å |
| 859 | H | 54.1 | Low | 53.9 | Low | 77 Ų | 77 | 65.8 Ų | 65.8 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 148 | -171.7 | -71.8 | -63.7 | 0 | 0 | 0 | 115.6 | K856 P861 W969 E977 | K856-H859 VanDerWaalsContact CA-CD2 3.44Å; K856-H859 WeakPolarHBondContact CA-CD2 3.26Å; H859-P861 VanDerWaalsContact O-CD 3.31Å; H859-P861 WeakPolarHBondContact O-CD 3.22Å; H859-W969 AromaticContact CE1-CD1 3.77Å; H859-E977 IonicContact CE1-OE1 3.43Å; H859-E977 IonicContact CG-OE1 2.82Å; H859-E977 IonicContact ND1-OE1 2.88Å; H859-E977 PolarHBondContact ND1-OE1 3.46Å |
| 860 | L | 48.1 | Very low | 54.4 | Low | 29 Ų | 29 | 66 Ų | 66 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 119.4 | 174.5 | -84.3 | 90.4 | 0 | 0 | 0 | 111.5 | F870 E977 L980 | L860-F870 HydrophobicContact CB-CZ 4.09Å; L860-F870 HydrophobicContact CD1-CD1 4.33Å; L860-F870 HydrophobicContact CD1-CE1 3.42Å; L860-F870 VanDerWaalsContact CD1-CE1 3.42Å; L860-F870 HydrophobicContact CD1-CE2 4.2Å; L860-F870 HydrophobicContact CD1-CZ 3.4Å; L860-F870 VanDerWaalsContact CD1-CZ 3.4Å; L860-F870 HydrophobicContact CG-CE1 3.89Å; L860-F870 HydrophobicContact CG-CE2 4.05Å; L860-F870 HydrophobicContact CG-CZ 3.33Å; L860-E977 HydrophobicContact CD1-CG 4.49Å; L860-L980 HydrophobicContact CD2-CD2 3.74Å; L860-L980 HydrophobicContact CD2-CG 4.34Å |
| 861 | P | 45.7 | Very low | 55.2 | Low | 97 Ų | 97 | 62.4 Ų | 62.4 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -63 | 136.6 | 154.4 | 26 | -28.9 | 0 | 0 | 0 | 108.4 | H859 G863 | H859-P861 VanDerWaalsContact O-CD 3.31Å; H859-P861 WeakPolarHBondContact O-CD 3.22Å; P861-G863 PolarHBondContact O-N 3.29Å |
| 862 | N | 44.6 | Very low | 56.5 | Low | 180 Ų | 180 | 60.5 Ų | 60.5 | 96% | 0.963 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -47.6 | 98.6 | 178.2 | -68.3 | -23.3 | 0 | 0 | 0 | 111.3 | ||
| 863 | G | 49.5 | Very low | 57.9 | Low | 49 Ų | 49 | 60.1 Ų | 60.1 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 170 | 167.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P861 S865 | P861-G863 PolarHBondContact O-N 3.29Å; G863-S865 VanDerWaalsContact C-N 3.29Å; G863-S865 PolarHBondContact O-N 3.42Å |
| 864 | I | 47.6 | Very low | 59.2 | Low | 154 Ų | 154 | 58.3 Ų | 58.3 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | trans | -77.8 | 77.5 | 174 | -52.1 | 167.6 | 0 | 0 | 0 | 107.7 | ||||
| 865 | S | 50.2 | Low | 60.6 | Low | 22 Ų | 22 | 56.7 Ų | 56.7 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | trans | -93.3 | 141.9 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | G863 | G863-S865 VanDerWaalsContact C-N 3.29Å; G863-S865 PolarHBondContact O-N 3.42Å | ||
| 866 | S | 55.1 | Low | 62.1 | Low | 39 Ų | 39 | 56.2 Ų | 56.2 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | trans | -67.1 | 146.1 | 171 | 49.5 | 0 | 0 | 0 | 0 | 112 | N868 D869 | S866-N868 PolarHBondContact O-N 2.91Å; S866-D869 PolarHBondContact O-N 2.93Å | ||
| 867 | D | 56.2 | Low | 63.8 | Low | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -50.6 | -20.3 | 173 | -74 | 10.4 | 0 | 0 | 0 | 114.4 | F463 S464 L465 G466 W757 D869 F870 | F463-D867 WeakPolarHBondContact CA-OD2 3.3Å; S464-D867 PolarHBondContact N-OD2 3.07Å; L465-D867 WeakPolarHBondContact CA-OD2 3.37Å; L465-D867 WeakPolarHBondContact CB-OD2 3.12Å; L465-D867 PolarHBondContact N-OD2 2.92Å; G466-D867 PolarHBondContact N-OD2 3.06Å; G466-D867 VanDerWaalsContact N-OD2 3.12Å; W757-D867 HydrophobicContact CZ2-CB 4.38Å; D867-D869 PolarHBondContact O-N 3.11Å; D867-D869 VanDerWaalsContact O-N 3.08Å; D867-F870 WeakPolarHBondContact O-CB 3.5Å; D867-F870 PolarHBondContact O-N 3.06Å |
| 868 | N | 51.7 | Low | 65.6 | Low | 54 Ų | 54 | 42.8 Ų | 42.8 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -60.5 | -22.3 | -174 | -63 | -1.5 | 0 | 0 | 0 | 113.9 | C461 N753 S866 F870 | C461-N868 PolarHBondContact O-OD1 2.84Å; N753-N868 PolarHBondContact ND2-O 2.69Å; S866-N868 PolarHBondContact O-N 2.91Å; N868-F870 VanDerWaalsContact C-N 3.31Å |
| 869 | D | 52.7 | Low | 67.4 | Low | 112 Ų | 112 | 41.2 Ų | 41.2 | 60% | 0.599 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -83.5 | -7.3 | 176 | -65.5 | -31.3 | 0 | 0 | 0 | 112.9 | S866 D867 | S866-D869 PolarHBondContact O-N 2.93Å; D867-D869 PolarHBondContact O-N 3.11Å; D867-D869 VanDerWaalsContact O-N 3.08Å |
| 870 | F | 67.1 | Low | 69.1 | Low | 22 Ų | 22 | 37.7 Ų | 37.7 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -105 | 144.9 | -173 | -67.1 | -87.6 | 0 | 0 | 0 | 113.4 | N753 W757 V858 L860 D867 N868 | N753-F870 PolarHBondContact OD1-O 3.38Å; W757-F870 PolarHBondContact NE1-O 3Å; V858-F870 HydrophobicContact CG1-CD1 3.98Å; V858-F870 HydrophobicContact CG1-CE1 4.47Å; V858-F870 WeakPolarHBondContact O-CE1 3.48Å; L860-F870 HydrophobicContact CB-CZ 4.09Å; L860-F870 HydrophobicContact CD1-CD1 4.33Å; L860-F870 HydrophobicContact CD1-CE1 3.42Å; L860-F870 VanDerWaalsContact CD1-CE1 3.42Å; L860-F870 HydrophobicContact CD1-CE2 4.2Å; L860-F870 HydrophobicContact CD1-CZ 3.4Å; L860-F870 VanDerWaalsContact CD1-CZ 3.4Å; L860-F870 HydrophobicContact CG-CE1 3.89Å; L860-F870 HydrophobicContact CG-CE2 4.05Å; L860-F870 HydrophobicContact CG-CZ 3.33Å; D867-F870 WeakPolarHBondContact O-CB 3.5Å; D867-F870 PolarHBondContact O-N 3.06Å; N868-F870 VanDerWaalsContact C-N 3.31Å |
| 871 | V | 77.5 | Confident | 71.3 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | trans | -81.3 | 135.1 | 172.4 | -167.3 | 0 | 0 | 0 | 0 | 109.6 | L752 N753 S756 V858 P873 V876 | L752-V871 HydrophobicContact CD2-CG1 4.12Å; L752-V871 HydrophobicContact CG-CG1 3.93Å; N753-V871 HydrophobicContact CB-CG2 4.27Å; S756-V871 VanDerWaalsContact CB-CG1 3.5Å; S756-V871 VanDerWaalsContact OG-CG1 3.22Å; S756-V871 WeakPolarHBondContact OG-CG1 3.43Å; V858-V871 HydrophobicContact CG1-CG2 4.2Å; V858-V871 HydrophobicContact CG2-CG2 4.36Å; V871-P873 WeakPolarHBondContact O-CD 3.19Å; V871-V876 HydrophobicContact CB-CG2 4.27Å; V871-V876 HydrophobicContact CG1-CG2 3.24Å | ||
| 872 | H | 85.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -73.1 | 117.5 | 179.4 | -170 | -81.2 | 0 | 0 | 0 | 111.4 | F501 S756 W757 G874 G875 V876 | F501-H872 AromaticContact CE2-NE2 3.93Å; F501-H872 PolarHBondContact O-CE1 3.31Å; S756-H872 PolarHBondContact OG-N 2.93Å; W757-H872 HydrophobicContact CD2-CB 3.92Å; W757-H872 HydrophobicContact CE3-CB 4.31Å; W757-H872 AromaticContact CE3-CD2 3.84Å; W757-H872 HydrophobicContact CG-CB 4.26Å; W757-H872 AromaticContact CH2-CD2 3.7Å; W757-H872 HydrophobicContact CZ2-CB 4.33Å; W757-H872 AromaticContact CZ3-CD2 3.55Å; H872-G874 PolarHBondContact ND1-N 2.94Å; H872-G874 PolarHBondContact O-N 3.25Å; H872-G875 PolarHBondContact ND1-N 2.94Å; H872-G875 WeakPolarHBondContact O-CA 3.42Å; H872-G875 PolarHBondContact O-N 3.47Å; H872-V876 WeakPolarHBondContact O-CG2 3.48Å; H872-V876 PolarHBondContact O-N 2.99Å | ||
| 873 | P | 87.6 | Confident | 75.8 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | -172.2 | 24.8 | -34.2 | 0 | 0 | 0 | 113.1 | L465 V871 G875 V876 L877 W966 W969 F978 Y1015 | L465-P873 HydrophobicContact CD2-CG 4.31Å; V871-P873 WeakPolarHBondContact O-CD 3.19Å; P873-G875 PolarHBondContact O-N 2.86Å; P873-V876 PolarHBondContact O-N 3.22Å; P873-L877 WeakPolarHBondContact O-CB 3.27Å; P873-L877 PolarHBondContact O-N 3.06Å; P873-W966 HydrophobicContact CB-CZ3 4.3Å; P873-W969 HydrophobicContact CB-CH2 4.43Å; P873-W969 HydrophobicContact CB-CZ3 4.42Å; P873-F978 HydrophobicContact CG-CE1 4Å; P873-F978 HydrophobicContact CG-CZ 4.13Å; P873-Y1015 HydrophobicContact CB-CE1 4.5Å; P873-Y1015 HydrophobicContact CG-CE2 4.41Å |
| 874 | G | 89.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -30.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | N503 H872 L878 | N503-G874 PolarHBondContact ND2-O 3.11Å; N503-G874 VanDerWaalsContact ND2-O 3.09Å; H872-G874 PolarHBondContact ND1-N 2.94Å; H872-G874 PolarHBondContact O-N 3.25Å; G874-L878 PolarHBondContact O-N 3.21Å; G874-L878 VanDerWaalsContact O-N 3.14Å |
| 875 | G | 89 | Confident | 80.2 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -75.2 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H872 P873 L877 L878 I879 | H872-G875 PolarHBondContact ND1-N 2.94Å; H872-G875 WeakPolarHBondContact O-CA 3.42Å; H872-G875 PolarHBondContact O-N 3.47Å; P873-G875 PolarHBondContact O-N 2.86Å; G875-L877 VanDerWaalsContact C-N 3.31Å; G875-L877 PolarHBondContact O-N 3.35Å; G875-L878 PolarHBondContact O-N 3.23Å; G875-I879 WeakPolarHBondContact O-CD1 3.33Å; G875-I879 VanDerWaalsContact O-CG1 3.24Å; G875-I879 WeakPolarHBondContact O-CG1 3.4Å; G875-I879 PolarHBondContact O-N 3.42Å |
| 876 | V | 88.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 172.3 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | V871 H872 P873 L878 I879 L880 W966 | V871-V876 HydrophobicContact CB-CG2 4.27Å; V871-V876 HydrophobicContact CG1-CG2 3.24Å; H872-V876 WeakPolarHBondContact O-CG2 3.48Å; H872-V876 PolarHBondContact O-N 2.99Å; P873-V876 PolarHBondContact O-N 3.22Å; V876-L878 VanDerWaalsContact C-N 3.33Å; V876-L878 PolarHBondContact O-N 3.22Å; V876-I879 PolarHBondContact O-N 3.12Å; V876-L880 HydrophobicContact CG1-CD1 3.83Å; V876-L880 HydrophobicContact CG1-CG 4.19Å; V876-L880 WeakPolarHBondContact O-CB 3.33Å; V876-L880 WeakPolarHBondContact O-CG 3.5Å; V876-L880 PolarHBondContact O-N 2.84Å; V876-W966 HydrophobicContact CB-CH2 4.47Å; V876-W966 HydrophobicContact CB-CZ2 4.3Å; V876-W966 HydrophobicContact CG1-CD2 4.13Å; V876-W966 HydrophobicContact CG1-CH2 4.5Å; V876-W966 HydrophobicContact CG1-CZ2 3.91Å; V876-W966 HydrophobicContact CG2-CH2 4Å; V876-W966 HydrophobicContact CG2-CZ2 3.86Å |
| 877 | L | 91.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 177.5 | -177.3 | 63.9 | 0 | 0 | 0 | 111.7 | M538 P873 G875 T881 Y1015 F1019 I1022 | M538-L877 HydrophobicContact CE-CD2 4.34Å; M538-L877 HydrophobicContact CG-CD1 4.16Å; M538-L877 HydrophobicContact CG-CD2 3.95Å; M538-L877 HydrophobicContact CG-CG 4.01Å; M538-L877 HydrophobicContact SD-CD1 4.38Å; M538-L877 HydrophobicContact SD-CD2 3.33Å; M538-L877 WeakPolarHBondContact SD-CD2 3.48Å; M538-L877 HydrophobicContact SD-CG 3.57Å; M538-L877 VanDerWaalsContact SD-CG 3.57Å; P873-L877 WeakPolarHBondContact O-CB 3.27Å; P873-L877 PolarHBondContact O-N 3.06Å; G875-L877 VanDerWaalsContact C-N 3.31Å; G875-L877 PolarHBondContact O-N 3.35Å; L877-T881 WeakPolarHBondContact O-CB 3.44Å; L877-T881 PolarHBondContact O-N 3.11Å; L877-T881 PolarHBondContact O-OG1 3.22Å; L877-Y1015 HydrophobicContact CD2-CD1 3.98Å; L877-Y1015 HydrophobicContact CD2-CE1 4.1Å; L877-F1019 HydrophobicContact CB-CE1 3.98Å; L877-F1019 HydrophobicContact CB-CZ 4Å; L877-F1019 HydrophobicContact CD1-CD1 3.67Å; L877-F1019 HydrophobicContact CD1-CE1 3.53Å; L877-F1019 HydrophobicContact CD1-CG 4.28Å; L877-F1019 HydrophobicContact CD1-CZ 4.06Å; L877-F1019 HydrophobicContact CG-CE1 4.36Å; L877-I1022 HydrophobicContact CD1-CD1 3.5Å |
| 878 | L | 92.2 | Very high | 86 | Confident | 6 Ų | 6 | 10.5 Ų | 10.5 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 176.4 | -177 | 61.2 | 0 | 0 | 0 | 112 | P534 V759 M760 L781 G874 G875 V876 T881 M882 | P534-L878 HydrophobicContact CG-CD1 3.72Å; V759-L878 HydrophobicContact CB-CD2 4.17Å; V759-L878 HydrophobicContact CG2-CD2 4.25Å; M760-L878 HydrophobicContact CE-CB 4.43Å; M760-L878 HydrophobicContact CE-CD2 3.81Å; L781-L878 HydrophobicContact CD2-CD2 4.14Å; L781-L878 HydrophobicContact CD2-CG 4.01Å; G874-L878 PolarHBondContact O-N 3.21Å; G874-L878 VanDerWaalsContact O-N 3.14Å; G875-L878 PolarHBondContact O-N 3.23Å; V876-L878 VanDerWaalsContact C-N 3.33Å; V876-L878 PolarHBondContact O-N 3.22Å; L878-T881 PolarHBondContact O-N 3.32Å; L878-M882 PolarHBondContact O-N 3.19Å |
| 879 | I | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 179 | -67.1 | 162.4 | 0 | 0 | 0 | 110.8 | L752 L755 L852 G875 V876 T881 M882 F883 | L752-I879 HydrophobicContact CD1-CD1 3.83Å; L755-I879 HydrophobicContact CB-CD1 4.46Å; L755-I879 HydrophobicContact CD2-CD1 3.82Å; L755-I879 HydrophobicContact CD2-CG1 4.35Å; L755-I879 HydrophobicContact CG-CD1 3.88Å; L852-I879 HydrophobicContact CD2-CG2 4.19Å; G875-I879 WeakPolarHBondContact O-CD1 3.33Å; G875-I879 VanDerWaalsContact O-CG1 3.24Å; G875-I879 WeakPolarHBondContact O-CG1 3.4Å; G875-I879 PolarHBondContact O-N 3.42Å; V876-I879 PolarHBondContact O-N 3.12Å; I879-T881 VanDerWaalsContact C-N 3.3Å; I879-T881 PolarHBondContact O-N 3.3Å; I879-M882 WeakPolarHBondContact O-CB 3.26Å; I879-M882 PolarHBondContact O-N 2.93Å; I879-F883 HydrophobicContact CG2-CD2 3.84Å; I879-F883 HydrophobicContact CG2-CE2 3.58Å; I879-F883 WeakPolarHBondContact O-CD2 3.39Å; I879-F883 PolarHBondContact O-N 3.46Å |
| 880 | L | 91.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 2.6 Ų | 2.6 | 1% | 0.01 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | 175.8 | -74.6 | 176.3 | 0 | 0 | 0 | 111.8 | L852 V876 F883 Y884 L959 V962 T963 F1019 | L852-L880 HydrophobicContact CD1-CD2 3.71Å; L852-L880 HydrophobicContact CD2-CD2 4.21Å; V876-L880 HydrophobicContact CG1-CD1 3.83Å; V876-L880 HydrophobicContact CG1-CG 4.19Å; V876-L880 WeakPolarHBondContact O-CB 3.33Å; V876-L880 WeakPolarHBondContact O-CG 3.5Å; V876-L880 PolarHBondContact O-N 2.84Å; L880-F883 PolarHBondContact O-N 3.23Å; L880-Y884 WeakPolarHBondContact O-CB 3.39Å; L880-Y884 PolarHBondContact O-N 2.66Å; L880-L959 HydrophobicContact CD2-CD2 4.33Å; L880-V962 HydrophobicContact CD2-CG1 4.49Å; L880-T963 HydrophobicContact CD1-CG2 4.49Å; L880-F1019 HydrophobicContact CD1-CD1 4.17Å; L880-F1019 HydrophobicContact CD1-CE1 3.9Å |
| 881 | T | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | P534 A537 M538 L877 L878 I879 F883 Y884 E885 I1022 | P534-T881 HydrophobicContact CB-CG2 3.74Å; P534-T881 HydrophobicContact CG-CG2 3.61Å; A537-T881 HydrophobicContact CB-CG2 3.81Å; M538-T881 HydrophobicContact CB-CG2 4.2Å; L877-T881 WeakPolarHBondContact O-CB 3.44Å; L877-T881 PolarHBondContact O-N 3.11Å; L877-T881 PolarHBondContact O-OG1 3.22Å; L878-T881 PolarHBondContact O-N 3.32Å; I879-T881 VanDerWaalsContact C-N 3.3Å; I879-T881 PolarHBondContact O-N 3.3Å; T881-F883 VanDerWaalsContact C-N 3.35Å; T881-F883 PolarHBondContact O-N 2.9Å; T881-Y884 WeakPolarHBondContact O-CB 3.16Å; T881-Y884 PolarHBondContact O-N 3.18Å; T881-E885 PolarHBondContact O-N 3.32Å; T881-I1022 VanDerWaalsContact OG1-CD1 3.28Å; T881-I1022 WeakPolarHBondContact OG1-CD1 3.28Å |
| 882 | M | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 173.4 | 176.8 | -142.6 | 60.3 | 0 | 0 | 111.5 | L781 Y782 P786 I847 L878 I879 Y884 E885 S886 | L781-M882 HydrophobicContact CD1-SD 3.97Å; L781-M882 HydrophobicContact CD2-CB 4.49Å; L781-M882 HydrophobicContact CD2-SD 4.42Å; L781-M882 HydrophobicContact CG-CG 4.48Å; L781-M882 HydrophobicContact CG-SD 3.75Å; Y782-M882 HydrophobicContact CD1-CG 4.4Å; Y782-M882 HydrophobicContact CD2-CB 4.34Å; Y782-M882 HydrophobicContact CD2-CG 3.91Å; Y782-M882 HydrophobicContact CE1-CG 4.21Å; Y782-M882 HydrophobicContact CE2-CB 3.69Å; Y782-M882 HydrophobicContact CE2-CG 3.73Å; Y782-M882 HydrophobicContact CG-CG 4.27Å; Y782-M882 WeakPolarHBondContact OH-CA 3.35Å; P786-M882 HydrophobicContact CG-CE 3.91Å; I847-M882 HydrophobicContact CD1-CE 4.4Å; I847-M882 HydrophobicContact CD1-SD 4.49Å; L878-M882 PolarHBondContact O-N 3.19Å; I879-M882 WeakPolarHBondContact O-CB 3.26Å; I879-M882 PolarHBondContact O-N 2.93Å; M882-Y884 VanDerWaalsContact C-N 3.35Å; M882-E885 PolarHBondContact O-N 2.71Å; M882-S886 WeakPolarHBondContact O-CB 3.47Å; M882-S886 PolarHBondContact O-N 3.06Å; M882-S886 PolarHBondContact O-OG 2.95Å |
| 883 | F | 92.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 1.1 Ų | 1.1 | 0% | 0.004 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 174.3 | -81.1 | -65.3 | 0 | 0 | 0 | 111.8 | P786 F828 I847 T849 L852 I879 L880 T881 S886 I887 L959 | P786-F883 HydrophobicContact CG-CD1 3.79Å; P786-F883 HydrophobicContact CG-CE1 3.74Å; F828-F883 AromaticContact CD1-CD1 3.85Å; F828-F883 HydrophobicContact CD1-CD1 3.85Å; F828-F883 HydrophobicContact CD1-CE1 4.17Å; F828-F883 HydrophobicContact CE1-CD1 4.27Å; I847-F883 HydrophobicContact CB-CZ 4.24Å; I847-F883 HydrophobicContact CG2-CE2 4.21Å; I847-F883 HydrophobicContact CG2-CZ 3.99Å; I847-F883 WeakPolarHBondContact O-CZ 3.45Å; T849-F883 HydrophobicContact CG2-CD1 4.27Å; T849-F883 HydrophobicContact CG2-CE1 3.84Å; T849-F883 HydrophobicContact CG2-CZ 4.2Å; L852-F883 HydrophobicContact CD1-CD2 4.01Å; L852-F883 HydrophobicContact CD1-CE2 3.87Å; I879-F883 HydrophobicContact CG2-CD2 3.84Å; I879-F883 HydrophobicContact CG2-CE2 3.58Å; I879-F883 WeakPolarHBondContact O-CD2 3.39Å; I879-F883 PolarHBondContact O-N 3.46Å; L880-F883 PolarHBondContact O-N 3.23Å; T881-F883 VanDerWaalsContact C-N 3.35Å; T881-F883 PolarHBondContact O-N 2.9Å; F883-S886 WeakPolarHBondContact O-CB 3.07Å; F883-S886 PolarHBondContact O-N 2.95Å; F883-I887 WeakPolarHBondContact O-CG1 3.31Å; F883-I887 PolarHBondContact O-N 3.05Å; F883-L959 HydrophobicContact CB-CD1 4.13Å; F883-L959 HydrophobicContact CB-CD2 4.26Å; F883-L959 HydrophobicContact CD2-CD2 4.49Å; F883-L959 HydrophobicContact CG-CD2 4.26Å |
| 884 | Y | 93.8 | Very high | 93 | Very high | 3 Ų | 3 | 0.9 Ų | 0.9 | 1% | 0.012 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.1 | 167.2 | -125.2 | 0 | 0 | 0 | 113.3 | A537 I542 V619 L880 T881 M882 S886 I887 S888 I1022 G1025 L1026 K1029 | A537-Y884 HydrophobicContact CB-CD1 4.34Å; A537-Y884 HydrophobicContact CB-CE1 4.27Å; I542-Y884 WeakPolarHBondContact CD1-OH 3.39Å; V619-Y884 HydrophobicContact CG1-CE1 3.86Å; L880-Y884 WeakPolarHBondContact O-CB 3.39Å; L880-Y884 PolarHBondContact O-N 2.66Å; T881-Y884 WeakPolarHBondContact O-CB 3.16Å; T881-Y884 PolarHBondContact O-N 3.18Å; M882-Y884 VanDerWaalsContact C-N 3.35Å; Y884-S886 VanDerWaalsContact C-N 3.3Å; Y884-S886 PolarHBondContact O-N 3.37Å; Y884-I887 PolarHBondContact O-N 2.82Å; Y884-S888 WeakPolarHBondContact O-CB 3.5Å; Y884-S888 PolarHBondContact O-N 3.45Å; Y884-S888 PolarHBondContact O-OG 3.19Å; Y884-I1022 HydrophobicContact CD1-CG2 4.45Å; Y884-I1022 HydrophobicContact CG-CG2 4.17Å; Y884-G1025 WeakPolarHBondContact OH-CA 3.39Å; Y884-L1026 HydrophobicContact CD2-CD2 3.84Å; Y884-L1026 HydrophobicContact CD2-CG 3.88Å; Y884-K1029 HydrophobicContact CE2-CG 4.42Å |
| 885 | E | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 1 Ų | 1 | 1% | 0.005 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 173.7 | -71.7 | -167.1 | 158.8 | 0 | 0 | 111.8 | P534 A537 H614 V619 R683 Y782 Y787 T881 M882 S888 L889 | P534-E885 VanDerWaalsContact CB-OE1 3.31Å; P534-E885 WeakPolarHBondContact CB-OE1 3.17Å; A537-E885 HydrophobicContact CB-CG 3.73Å; A537-E885 VanDerWaalsContact CB-OE1 3.3Å; A537-E885 WeakPolarHBondContact CB-OE1 3.37Å; H614-E885 IonicContact CE1-OE1 2.61Å; H614-E885 IonicContact CE1-OE2 2.92Å; H614-E885 IonicContact ND1-OE1 2.74Å; V619-E885 HydrophobicContact CG2-CG 4.02Å; R683-E885 IonicContact CZ-OE1 3.32Å; R683-E885 IonicContact CZ-OE2 3.63Å; R683-E885 IonicContact NH1-OE1 2.94Å; R683-E885 IonicContact NH1-OE2 3.49Å; R683-E885 PolarHBondContact NH1-OE2 3.31Å; R683-E885 IonicContact NH2-OE1 2.92Å; R683-E885 PolarHBondContact NH2-OE1 3.38Å; R683-E885 IonicContact NH2-OE2 3.35Å; R683-E885 PolarHBondContact NH2-OE2 3.46Å; R683-E885 VanDerWaalsContact NH2-OE2 3.1Å; Y782-E885 HydrophobicContact CE1-CB 4.45Å; Y782-E885 WeakPolarHBondContact CE1-OE2 3.15Å; Y782-E885 VanDerWaalsContact OH-CD 3.26Å; Y782-E885 PolarHBondContact OH-OE2 2.94Å; Y787-E885 HydrophobicContact CD2-CB 4.25Å; Y787-E885 HydrophobicContact CE2-CB 4.12Å; T881-E885 PolarHBondContact O-N 3.32Å; M882-E885 PolarHBondContact O-N 2.71Å; E885-S888 WeakPolarHBondContact O-CB 3.44Å; E885-S888 PolarHBondContact O-N 2.93Å; E885-L889 WeakPolarHBondContact O-CB 3.22Å; E885-L889 PolarHBondContact O-N 3.32Å |
| 886 | S | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 112 | Y787 M882 F883 Y884 L889 V890 | Y787-S886 VanDerWaalsContact CA-OG 3.29Å; Y787-S886 WeakPolarHBondContact CA-OG 3.15Å; Y787-S886 WeakPolarHBondContact CB-OG 3.42Å; Y787-S886 PolarHBondContact N-OG 3.18Å; M882-S886 WeakPolarHBondContact O-CB 3.47Å; M882-S886 PolarHBondContact O-N 3.06Å; M882-S886 PolarHBondContact O-OG 2.95Å; F883-S886 WeakPolarHBondContact O-CB 3.07Å; F883-S886 PolarHBondContact O-N 2.95Å; Y884-S886 VanDerWaalsContact C-N 3.3Å; Y884-S886 PolarHBondContact O-N 3.37Å; S886-L889 PolarHBondContact O-N 3.21Å; S886-V890 PolarHBondContact O-N 2.83Å |
| 887 | I | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 173 | -70.2 | -61.9 | 0 | 0 | 0 | 110.7 | F828 F883 Y884 L889 V890 T891 T956 L959 L1026 K1029 | F828-I887 HydrophobicContact CD1-CD1 4.14Å; F828-I887 HydrophobicContact CE1-CD1 3.56Å; F828-I887 HydrophobicContact CE1-CG1 3.93Å; F828-I887 HydrophobicContact CE2-CD1 4.21Å; F828-I887 HydrophobicContact CZ-CD1 3.61Å; F828-I887 HydrophobicContact CZ-CG1 4.27Å; F883-I887 WeakPolarHBondContact O-CG1 3.31Å; F883-I887 PolarHBondContact O-N 3.05Å; Y884-I887 PolarHBondContact O-N 2.82Å; I887-L889 VanDerWaalsContact C-N 3.32Å; I887-L889 PolarHBondContact O-N 2.82Å; I887-V890 PolarHBondContact O-N 3.07Å; I887-T891 VanDerWaalsContact O-CB 3.3Å; I887-T891 WeakPolarHBondContact O-CB 3.42Å; I887-T891 PolarHBondContact O-N 2.91Å; I887-T891 PolarHBondContact O-OG1 3.14Å; I887-T956 HydrophobicContact CG2-CG2 3.96Å; I887-L959 HydrophobicContact CD1-CD1 4.39Å; I887-L959 HydrophobicContact CG1-CD1 3.98Å; I887-L1026 HydrophobicContact CB-CD2 4.31Å; I887-L1026 HydrophobicContact CG1-CD2 4.35Å; I887-L1026 HydrophobicContact CG2-CD2 4.23Å; I887-K1029 HydrophobicContact CG2-CB 3.95Å; I887-K1029 HydrophobicContact CG2-CG 4.39Å |
| 888 | S | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | Y884 E885 T891 L892 K1029 | Y884-S888 WeakPolarHBondContact O-CB 3.5Å; Y884-S888 PolarHBondContact O-N 3.45Å; Y884-S888 PolarHBondContact O-OG 3.19Å; E885-S888 WeakPolarHBondContact O-CB 3.44Å; E885-S888 PolarHBondContact O-N 2.93Å; S888-T891 PolarHBondContact O-N 3.16Å; S888-L892 PolarHBondContact O-N 3.3Å; S888-L892 VanDerWaalsContact O-N 3.08Å; S888-K1029 VanDerWaalsContact OG-CE 3.3Å; S888-K1029 WeakPolarHBondContact OG-CE 3.42Å |
| 889 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -65.2 | -47.2 | 176.2 | -178 | 61.7 | 0 | 0 | 0 | 112.4 | I618 T686 I690 Y787 V790 L791 E885 S886 I887 T891 L892 L893 | I618-L889 HydrophobicContact CG2-CB 4.06Å; I618-L889 HydrophobicContact CG2-CD1 4.05Å; T686-L889 HydrophobicContact CG2-CD1 4.03Å; T686-L889 HydrophobicContact CG2-CD2 4.3Å; I690-L889 HydrophobicContact CD1-CD1 3.96Å; I690-L889 HydrophobicContact CG1-CD1 4.46Å; Y787-L889 HydrophobicContact CD2-CD2 4.29Å; Y787-L889 HydrophobicContact CE1-CD2 4.26Å; Y787-L889 HydrophobicContact CE2-CB 4.5Å; Y787-L889 HydrophobicContact CE2-CD2 3.98Å; V790-L889 HydrophobicContact CG1-CB 4.25Å; V790-L889 HydrophobicContact CG1-CD2 3.92Å; V790-L889 HydrophobicContact CG1-CG 3.89Å; L791-L889 HydrophobicContact CB-CD2 3.97Å; L791-L889 HydrophobicContact CD1-CD1 4.44Å; L791-L889 HydrophobicContact CD1-CD2 4.31Å; E885-L889 WeakPolarHBondContact O-CB 3.22Å; E885-L889 PolarHBondContact O-N 3.32Å; S886-L889 PolarHBondContact O-N 3.21Å; I887-L889 VanDerWaalsContact C-N 3.32Å; I887-L889 PolarHBondContact O-N 2.82Å; L889-T891 VanDerWaalsContact C-N 3.31Å; L889-T891 PolarHBondContact O-N 3.43Å; L889-L892 PolarHBondContact O-N 3.48Å; L889-L893 HydrophobicContact CD1-CD1 4.08Å; L889-L893 HydrophobicContact CD1-CG 4.4Å; L889-L893 HydrophobicContact CG-CD1 3.89Å; L889-L893 WeakPolarHBondContact O-CG 3.39Å; L889-L893 PolarHBondContact O-N 3.18Å |
| 890 | V | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 173.5 | 157.4 | 0 | 0 | 0 | 0 | 110.9 | V790 L824 F828 S886 I887 L892 L893 V894 L952 | V790-V890 HydrophobicContact CB-CG2 3.9Å; V790-V890 HydrophobicContact CG1-CB 4.17Å; V790-V890 HydrophobicContact CG1-CG2 3.24Å; V790-V890 HydrophobicContact CG2-CG2 3.37Å; L824-V890 HydrophobicContact CD1-CG2 4.24Å; F828-V890 HydrophobicContact CE2-CG2 3.86Å; F828-V890 HydrophobicContact CZ-CG2 3.95Å; S886-V890 PolarHBondContact O-N 2.83Å; I887-V890 PolarHBondContact O-N 3.07Å; V890-L892 VanDerWaalsContact C-N 3.27Å; V890-L892 PolarHBondContact O-N 3.1Å; V890-L893 PolarHBondContact O-N 3.35Å; V890-V894 HydrophobicContact CG1-CG2 3.99Å; V890-V894 WeakPolarHBondContact O-CB 3.37Å; V890-V894 VanDerWaalsContact O-CG2 3.28Å; V890-V894 WeakPolarHBondContact O-CG2 3.35Å; V890-V894 PolarHBondContact O-N 3.15Å; V890-L952 HydrophobicContact CG1-CD1 3.33Å; V890-L952 HydrophobicContact CG1-CD2 3.87Å; V890-L952 HydrophobicContact CG1-CG 4.16Å |
| 891 | T | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 1.5 Ų | 1.5 | 1% | 0.006 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | -176.3 | -56.9 | 0 | 0 | 0 | 0 | 110.2 | I887 S888 L889 S895 K1029 C1032 L1033 | I887-T891 VanDerWaalsContact O-CB 3.3Å; I887-T891 WeakPolarHBondContact O-CB 3.42Å; I887-T891 PolarHBondContact O-N 2.91Å; I887-T891 PolarHBondContact O-OG1 3.14Å; S888-T891 PolarHBondContact O-N 3.16Å; L889-T891 VanDerWaalsContact C-N 3.31Å; L889-T891 PolarHBondContact O-N 3.43Å; T891-S895 VanDerWaalsContact O-CB 3.3Å; T891-S895 WeakPolarHBondContact O-CB 3.14Å; T891-S895 PolarHBondContact O-N 2.85Å; T891-K1029 HydrophobicContact CG2-CD 4.22Å; T891-C1032 HydrophobicContact CG2-CB 3.87Å; T891-L1033 HydrophobicContact CG2-CD2 4.11Å; T891-L1033 HydrophobicContact CG2-CG 4.09Å |
| 892 | L | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 4.9 Ų | 4.9 | 1% | 0.01 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -63.8 | -48.9 | 175.5 | -172.7 | 63.4 | 0 | 0 | 0 | 111.9 | I618 Q621 L627 I690 S888 L889 V890 V894 S895 M896 | I618-L892 HydrophobicContact CG1-CD2 4.34Å; Q621-L892 HydrophobicContact CB-CD1 4.29Å; L627-L892 HydrophobicContact CB-CD1 4.21Å; L627-L892 HydrophobicContact CD2-CD1 4.03Å; L627-L892 HydrophobicContact CD2-CD2 4.21Å; L627-L892 HydrophobicContact CD2-CG 4.41Å; I690-L892 HydrophobicContact CD1-CD2 4.12Å; I690-L892 HydrophobicContact CG2-CD2 4.21Å; S888-L892 PolarHBondContact O-N 3.3Å; S888-L892 VanDerWaalsContact O-N 3.08Å; L889-L892 PolarHBondContact O-N 3.48Å; V890-L892 VanDerWaalsContact C-N 3.27Å; V890-L892 PolarHBondContact O-N 3.1Å; L892-V894 PolarHBondContact O-N 2.79Å; L892-S895 WeakPolarHBondContact O-CB 3.42Å; L892-S895 PolarHBondContact O-N 2.91Å; L892-M896 HydrophobicContact CG-SD 4.38Å; L892-M896 WeakPolarHBondContact O-CB 3.32Å; L892-M896 VanDerWaalsContact O-CG 3.24Å; L892-M896 WeakPolarHBondContact O-CG 3.3Å; L892-M896 PolarHBondContact O-N 3.17Å |
| 893 | L | 94.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 5.8 Ų | 5.8 | 2% | 0.016 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 179.5 | -71.4 | 163.3 | 0 | 0 | 0 | 112.3 | I690 V790 I798 L889 V890 M896 I897 | I690-L893 HydrophobicContact CD1-CD2 3.94Å; I690-L893 HydrophobicContact CD1-CG 4.41Å; V790-L893 HydrophobicContact CG1-CD1 3.98Å; I798-L893 HydrophobicContact CD1-CD2 4.05Å; L889-L893 HydrophobicContact CD1-CD1 4.08Å; L889-L893 HydrophobicContact CD1-CG 4.4Å; L889-L893 HydrophobicContact CG-CD1 3.89Å; L889-L893 WeakPolarHBondContact O-CG 3.39Å; L889-L893 PolarHBondContact O-N 3.18Å; V890-L893 PolarHBondContact O-N 3.35Å; L893-M896 HydrophobicContact CD2-SD 4.31Å; L893-M896 WeakPolarHBondContact O-CB 3.47Å; L893-M896 PolarHBondContact O-N 3.06Å; L893-I897 VanDerWaalsContact O-CG1 3.25Å; L893-I897 WeakPolarHBondContact O-CG1 3.11Å; L893-I897 PolarHBondContact O-N 3.42Å |
| 894 | V | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 175.3 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | L824 V890 L892 M896 I897 Q898 L945 T949 L952 I1036 | L824-V894 HydrophobicContact CD2-CG2 3.97Å; V890-V894 HydrophobicContact CG1-CG2 3.99Å; V890-V894 WeakPolarHBondContact O-CB 3.37Å; V890-V894 VanDerWaalsContact O-CG2 3.28Å; V890-V894 WeakPolarHBondContact O-CG2 3.35Å; V890-V894 PolarHBondContact O-N 3.15Å; L892-V894 PolarHBondContact O-N 2.79Å; V894-M896 VanDerWaalsContact C-N 3.35Å; V894-I897 PolarHBondContact O-N 2.91Å; V894-Q898 VanDerWaalsContact O-CB 3.24Å; V894-Q898 WeakPolarHBondContact O-CB 3.07Å; V894-Q898 PolarHBondContact O-N 3.43Å; V894-L945 HydrophobicContact CG1-CD1 4.32Å; V894-T949 HydrophobicContact CG1-CG2 4.3Å; V894-L952 HydrophobicContact CG2-CD1 4.14Å; V894-I1036 HydrophobicContact CG1-CD1 4.38Å; V894-I1036 HydrophobicContact CG1-CG2 3.91Å |
| 895 | S | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.007 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | D623 F624 T891 L892 Q898 S899 | D623-S895 WeakPolarHBondContact CA-OG 3.41Å; F624-S895 PolarHBondContact N-OG 3.39Å; T891-S895 VanDerWaalsContact O-CB 3.3Å; T891-S895 WeakPolarHBondContact O-CB 3.14Å; T891-S895 PolarHBondContact O-N 2.85Å; L892-S895 WeakPolarHBondContact O-CB 3.42Å; L892-S895 PolarHBondContact O-N 2.91Å; S895-Q898 PolarHBondContact O-N 3.1Å; S895-S899 WeakPolarHBondContact O-CB 3.31Å; S895-S899 PolarHBondContact O-N 3.05Å; S895-S899 PolarHBondContact O-OG 3.24Å |
| 896 | M | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 173.4 | -75.8 | 176 | 79.9 | 0 | 0 | 111.6 | F624 I690 A693 T694 V697 I798 L892 L893 V894 S899 A900 | F624-M896 HydrophobicContact CB-CG 4.24Å; F624-M896 HydrophobicContact CD2-CB 4.32Å; F624-M896 HydrophobicContact CD2-CE 4.47Å; F624-M896 HydrophobicContact CD2-CG 3.36Å; F624-M896 HydrophobicContact CD2-SD 4.44Å; F624-M896 HydrophobicContact CE2-CE 4.09Å; F624-M896 HydrophobicContact CE2-CG 3.87Å; F624-M896 HydrophobicContact CG-CG 3.98Å; I690-M896 HydrophobicContact CD1-SD 4.29Å; A693-M896 HydrophobicContact CB-CE 3.48Å; A693-M896 VanDerWaalsContact CB-CE 3.48Å; T694-M896 VanDerWaalsContact N-CE 3.3Å; V697-M896 WeakPolarHBondContact CG1-O 3.43Å; V697-M896 HydrophobicContact CG2-CB 4.08Å; V697-M896 HydrophobicContact CG2-CE 4.09Å; I798-M896 HydrophobicContact CD1-CE 4.3Å; L892-M896 HydrophobicContact CG-SD 4.38Å; L892-M896 WeakPolarHBondContact O-CB 3.32Å; L892-M896 VanDerWaalsContact O-CG 3.24Å; L892-M896 WeakPolarHBondContact O-CG 3.3Å; L892-M896 PolarHBondContact O-N 3.17Å; L893-M896 HydrophobicContact CD2-SD 4.31Å; L893-M896 WeakPolarHBondContact O-CB 3.47Å; L893-M896 PolarHBondContact O-N 3.06Å; V894-M896 VanDerWaalsContact C-N 3.35Å; M896-S899 PolarHBondContact O-N 3.07Å; M896-A900 PolarHBondContact O-N 3.36Å |
| 897 | I | 92.2 | Very high | 90 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 178.4 | -66.9 | 167.2 | 0 | 0 | 0 | 110.8 | L797 I798 L893 V894 S899 A900 L901 F941 L945 | L797-I897 HydrophobicContact CB-CD1 3.83Å; L797-I897 HydrophobicContact CD1-CD1 4.09Å; I798-I897 HydrophobicContact CD1-CG1 4.42Å; I798-I897 HydrophobicContact CG1-CD1 4.23Å; I798-I897 HydrophobicContact CG1-CG1 3.74Å; L893-I897 VanDerWaalsContact O-CG1 3.25Å; L893-I897 WeakPolarHBondContact O-CG1 3.11Å; L893-I897 PolarHBondContact O-N 3.42Å; V894-I897 PolarHBondContact O-N 2.91Å; I897-S899 VanDerWaalsContact C-N 3.32Å; I897-S899 PolarHBondContact O-N 3.24Å; I897-A900 VanDerWaalsContact O-CB 3.28Å; I897-A900 WeakPolarHBondContact O-CB 3.4Å; I897-A900 PolarHBondContact O-N 2.89Å; I897-A900 VanDerWaalsContact O-N 3.14Å; I897-L901 HydrophobicContact CG2-CD1 4.48Å; I897-L901 WeakPolarHBondContact O-CG 3.34Å; I897-L901 PolarHBondContact O-N 3.06Å; I897-L901 VanDerWaalsContact O-N 3.17Å; I897-F941 HydrophobicContact CG2-CE1 3.35Å; I897-F941 HydrophobicContact CG2-CZ 3.71Å; I897-L945 HydrophobicContact CB-CD2 4.4Å; I897-L945 HydrophobicContact CG2-CD1 4.37Å; I897-L945 HydrophobicContact CG2-CD2 3.69Å |
| 898 | Q | 92.3 | Very high | 89.2 | Confident | 13 Ų | 13 | 14 Ų | 14 | 6% | 0.061 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.3 | 175.4 | -106 | -36.6 | 0 | 0 | 111.9 | V894 S895 A900 L901 R902 I1036 E1039 L1040 | V894-Q898 VanDerWaalsContact O-CB 3.24Å; V894-Q898 WeakPolarHBondContact O-CB 3.07Å; V894-Q898 PolarHBondContact O-N 3.43Å; S895-Q898 PolarHBondContact O-N 3.1Å; Q898-A900 VanDerWaalsContact C-N 3.3Å; Q898-A900 PolarHBondContact O-N 3.28Å; Q898-L901 PolarHBondContact O-N 2.62Å; Q898-R902 PolarHBondContact O-N 3.17Å; Q898-R902 VanDerWaalsContact O-N 3.15Å; Q898-I1036 HydrophobicContact CB-CG2 4.07Å; Q898-I1036 HydrophobicContact CG-CG2 3.98Å; Q898-E1039 PolarHBondContact NE2-OE2 3Å; Q898-L1040 HydrophobicContact CB-CD2 4.43Å; Q898-L1040 HydrophobicContact CG-CD2 4Å; Q898-L1040 HydrophobicContact CG-CG 4.22Å |
| 899 | S | 89.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 17.7 Ų | 17.7 | 4% | 0.035 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.1 | -35.7 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | V701 S895 M896 I897 L901 R902 | V701-S899 WeakPolarHBondContact CG2-O 3.27Å; S895-S899 WeakPolarHBondContact O-CB 3.31Å; S895-S899 PolarHBondContact O-N 3.05Å; S895-S899 PolarHBondContact O-OG 3.24Å; M896-S899 PolarHBondContact O-N 3.07Å; I897-S899 VanDerWaalsContact C-N 3.32Å; I897-S899 PolarHBondContact O-N 3.24Å; S899-L901 VanDerWaalsContact C-N 3.29Å; S899-L901 PolarHBondContact O-N 2.79Å; S899-R902 WeakPolarHBondContact O-CB 3.48Å; S899-R902 PolarHBondContact O-N 3.2Å; S899-R902 PolarHBondContact OG-NH2 3.38Å |
| 900 | A | 88.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V697 I700 E704 L801 M896 I897 Q898 R902 P903 | V697-A900 HydrophobicContact CG1-CB 4.12Å; I700-A900 HydrophobicContact CB-CB 4.39Å; I700-A900 HydrophobicContact CG2-CB 3.97Å; E704-A900 VanDerWaalsContact OE2-O 3.13Å; L801-A900 HydrophobicContact CD2-CB 3.54Å; M896-A900 PolarHBondContact O-N 3.36Å; I897-A900 VanDerWaalsContact O-CB 3.28Å; I897-A900 WeakPolarHBondContact O-CB 3.4Å; I897-A900 PolarHBondContact O-N 2.89Å; I897-A900 VanDerWaalsContact O-N 3.14Å; Q898-A900 VanDerWaalsContact C-N 3.3Å; Q898-A900 PolarHBondContact O-N 3.28Å; A900-R902 VanDerWaalsContact C-N 3.35Å; A900-P903 WeakPolarHBondContact O-CD 3.36Å |
| 901 | L | 87.4 | Confident | 86.3 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.2 | 179.2 | -62.5 | 171.6 | 0 | 0 | 0 | 114.1 | L801 I897 Q898 S899 P903 R904 S905 L938 F941 L945 Y1043 | L801-L901 HydrophobicContact CD1-CD2 4.14Å; I897-L901 HydrophobicContact CG2-CD1 4.48Å; I897-L901 WeakPolarHBondContact O-CG 3.34Å; I897-L901 PolarHBondContact O-N 3.06Å; I897-L901 VanDerWaalsContact O-N 3.17Å; Q898-L901 PolarHBondContact O-N 2.62Å; S899-L901 VanDerWaalsContact C-N 3.29Å; S899-L901 PolarHBondContact O-N 2.79Å; L901-P903 VanDerWaalsContact C-CD 3.45Å; L901-R904 PolarHBondContact O-N 2.62Å; L901-R904 VanDerWaalsContact O-N 3.1Å; L901-S905 PolarHBondContact O-N 2.83Å; L901-L938 HydrophobicContact CD2-CD2 3.98Å; L901-F941 HydrophobicContact CD1-CD1 3.79Å; L901-F941 HydrophobicContact CD1-CE1 4.03Å; L901-F941 HydrophobicContact CD2-CD1 4.32Å; L901-L945 HydrophobicContact CD1-CD2 4.06Å; L901-Y1043 PolarHBondContact O-OH 3.06Å; L901-Y1043 VanDerWaalsContact O-OH 3.09Å |
| 902 | R | 85.7 | Confident | 85.1 | Confident | 71 Ų | 71 | 27.5 Ų | 27.5 | 27% | 0.268 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -56.3 | -41.7 | -174.1 | -167.7 | 179.7 | -74.8 | 172.4 | -8.1 | 113.2 | D625 Q898 S899 A900 R904 S905 H906 | D625-R902 IonicContact OD1-NH1 3.59Å; D625-R902 PolarHBondContact OD1-NH1 3.29Å; D625-R902 IonicContact OD2-CZ 2.78Å; D625-R902 IonicContact OD2-NH1 3.74Å; D625-R902 PolarHBondContact OD2-NH1 2.94Å; D625-R902 IonicContact OD2-NH2 3.69Å; D625-R902 PolarHBondContact OD2-NH2 2.97Å; Q898-R902 PolarHBondContact O-N 3.17Å; Q898-R902 VanDerWaalsContact O-N 3.15Å; S899-R902 WeakPolarHBondContact O-CB 3.48Å; S899-R902 PolarHBondContact O-N 3.2Å; S899-R902 PolarHBondContact OG-NH2 3.38Å; A900-R902 VanDerWaalsContact C-N 3.35Å; R902-R904 VanDerWaalsContact C-N 3.32Å; R902-R904 PolarHBondContact O-N 3.17Å; R902-S905 PolarHBondContact O-N 3.27Å; R902-H906 PolarHBondContact O-CD2 3.45Å; R902-H906 PolarHBondContact O-N 3.29Å |
| 903 | P | 83.1 | Confident | 83.9 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 174.7 | -24.6 | 35.5 | 0 | 0 | 0 | 113 | V701 E704 A900 L901 H906 Y907 | V701-P903 HydrophobicContact CG1-CG 4.04Å; E704-P903 HydrophobicContact CB-CB 4.06Å; E704-P903 HydrophobicContact CB-CG 4.08Å; A900-P903 WeakPolarHBondContact O-CD 3.36Å; L901-P903 VanDerWaalsContact C-CD 3.45Å; P903-H906 PolarHBondContact O-N 2.68Å; P903-Y907 PolarHBondContact O-N 2.78Å; P903-Y907 VanDerWaalsContact O-N 3.13Å |
| 904 | R | 82 | Confident | 82.3 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 177.7 | -177 | 63.1 | 177.2 | 172 | 0.9 | 112.4 | L901 R902 Y907 H908 D939 Y1043 | L901-R904 PolarHBondContact O-N 2.62Å; L901-R904 VanDerWaalsContact O-N 3.1Å; R902-R904 VanDerWaalsContact C-N 3.32Å; R902-R904 PolarHBondContact O-N 3.17Å; R904-Y907 WeakPolarHBondContact O-CB 3.2Å; R904-Y907 PolarHBondContact O-N 3.42Å; R904-H908 PolarHBondContact NE-NE2 3.21Å; R904-H908 PolarHBondContact O-CD2 2.64Å; R904-H908 VanDerWaalsContact O-CD2 3.23Å; R904-H908 PolarHBondContact O-N 2.89Å; R904-H908 VanDerWaalsContact O-N 3.14Å; R904-D939 IonicContact CZ-OD1 3.33Å; R904-D939 IonicContact CZ-OD2 2.71Å; R904-D939 IonicContact NE-OD1 3.82Å; R904-D939 PolarHBondContact NE-OD1 3.01Å; R904-D939 IonicContact NE-OD2 3.24Å; R904-D939 IonicContact NH2-OD1 3.78Å; R904-D939 PolarHBondContact NH2-OD1 2.85Å; R904-D939 IonicContact NH2-OD2 3.08Å; R904-D939 PolarHBondContact NH2-OD2 3.2Å; R904-Y1043 WeakPolarHBondContact CB-OH 3.12Å; R904-Y1043 HydrophobicContact CG-CE1 3.93Å |
| 905 | S | 82.1 | Confident | 80.8 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 112 | L901 R902 Y907 H908 H909 Y1043 | L901-S905 PolarHBondContact O-N 2.83Å; R902-S905 PolarHBondContact O-N 3.27Å; S905-Y907 PolarHBondContact O-N 3.13Å; S905-H908 PolarHBondContact O-N 3.32Å; S905-H909 PolarHBondContact O-CD2 2.87Å; S905-H909 PolarHBondContact O-N 3.42Å; S905-Y1043 PolarHBondContact N-OH 3.48Å |
| 906 | H | 82.2 | Confident | 79.1 | Confident | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.8 | -74.6 | -50.1 | 0 | 0 | 0 | 112.6 | R902 P903 H908 H909 E910 | R902-H906 PolarHBondContact O-CD2 3.45Å; R902-H906 PolarHBondContact O-N 3.29Å; P903-H906 PolarHBondContact O-N 2.68Å; H906-H908 VanDerWaalsContact C-N 3.33Å; H906-H908 PolarHBondContact O-N 3.04Å; H906-H909 WeakPolarHBondContact O-CB 3.41Å; H906-H909 PolarHBondContact O-N 3.14Å; H906-H909 VanDerWaalsContact O-N 3.16Å; H906-E910 WeakPolarHBondContact O-CG 3.37Å; H906-E910 PolarHBondContact O-N 3.35Å |
| 907 | Y | 77.9 | Confident | 77.5 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 18% | 0.18 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 175.3 | -179.4 | -101.9 | 0 | 0 | 0 | 112.2 | M708 P903 R904 S905 E910 I911 S929 | M708-Y907 HydrophobicContact SD-CD1 4.38Å; M708-Y907 HydrophobicContact SD-CD2 4.18Å; M708-Y907 HydrophobicContact SD-CG 4.06Å; P903-Y907 PolarHBondContact O-N 2.78Å; P903-Y907 VanDerWaalsContact O-N 3.13Å; R904-Y907 WeakPolarHBondContact O-CB 3.2Å; R904-Y907 PolarHBondContact O-N 3.42Å; S905-Y907 PolarHBondContact O-N 3.13Å; Y907-E910 PolarHBondContact O-N 2.8Å; Y907-I911 HydrophobicContact CD1-CD1 3.78Å; Y907-I911 HydrophobicContact CE1-CD1 3.21Å; Y907-I911 HydrophobicContact CE1-CG1 4.28Å; Y907-I911 HydrophobicContact CE2-CD1 4.31Å; Y907-I911 WeakPolarHBondContact O-CG1 3.28Å; Y907-I911 PolarHBondContact O-N 3.16Å; Y907-S929 PolarHBondContact OH-OG 3.35Å |
| 908 | H | 77.2 | Confident | 75.4 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.5 | -73.2 | -58.4 | 0 | 0 | 0 | 112.7 | R904 S905 H906 E910 I911 N912 D939 V1042 Y1043 R1046 | R904-H908 PolarHBondContact NE-NE2 3.21Å; R904-H908 PolarHBondContact O-CD2 2.64Å; R904-H908 VanDerWaalsContact O-CD2 3.23Å; R904-H908 PolarHBondContact O-N 2.89Å; R904-H908 VanDerWaalsContact O-N 3.14Å; S905-H908 PolarHBondContact O-N 3.32Å; H906-H908 VanDerWaalsContact C-N 3.33Å; H906-H908 PolarHBondContact O-N 3.04Å; H908-E910 VanDerWaalsContact C-N 3.33Å; H908-E910 PolarHBondContact O-N 3.35Å; H908-I911 PolarHBondContact O-N 3.16Å; H908-N912 WeakPolarHBondContact O-CB 3.15Å; H908-N912 PolarHBondContact O-N 3.15Å; H908-D939 IonicContact CD2-OD1 3.89Å; H908-D939 IonicContact CE1-OD1 3.53Å; H908-D939 IonicContact CE1-OD2 3.54Å; H908-D939 IonicContact NE2-OD1 2.77Å; H908-D939 PolarHBondContact NE2-OD1 3.12Å; H908-D939 IonicContact NE2-OD2 3.58Å; H908-V1042 HydrophobicContact CB-CG1 3.28Å; H908-Y1043 AromaticContact CD2-CE1 3.86Å; H908-Y1043 AromaticContact NE2-CE1 3.88Å; H908-R1046 PolarHBondContact CE1-NH1 2.57Å; H908-R1046 VanDerWaalsContact CE1-NH1 3.35Å; H908-R1046 VanDerWaalsContact ND1-CZ 3.33Å; H908-R1046 PolarHBondContact ND1-NH1 2.89Å |
| 909 | H | 77 | Confident | 73.6 | Confident | 79 Ų | 79 | 68 Ų | 68 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 173.8 | -84.9 | -54.2 | 0 | 0 | 0 | 112.6 | S905 H906 N912 K913 V1042 | S905-H909 PolarHBondContact O-CD2 2.87Å; S905-H909 PolarHBondContact O-N 3.42Å; H906-H909 WeakPolarHBondContact O-CB 3.41Å; H906-H909 PolarHBondContact O-N 3.14Å; H906-H909 VanDerWaalsContact O-N 3.16Å; H909-N912 PolarHBondContact O-N 3.15Å; H909-K913 WeakPolarHBondContact O-CB 3.26Å; H909-K913 VanDerWaalsContact O-CG 3.32Å; H909-K913 WeakPolarHBondContact O-CG 3.25Å; H909-K913 PolarHBondContact O-N 3.05Å; H909-V1042 WeakPolarHBondContact CE1-CG2 3.44Å; H909-V1042 WeakPolarHBondContact NE2-CG2 3.4Å |
| 910 | E | 76 | Confident | 71.3 | Confident | 142 Ų | 142 | 76.6 Ų | 76.6 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 175 | -67.6 | -145.6 | 132.9 | 0 | 0 | 111.8 | H906 Y907 H908 K913 Y914 | H906-E910 WeakPolarHBondContact O-CG 3.37Å; H906-E910 PolarHBondContact O-N 3.35Å; Y907-E910 PolarHBondContact O-N 2.8Å; H908-E910 VanDerWaalsContact C-N 3.33Å; H908-E910 PolarHBondContact O-N 3.35Å; E910-K913 PolarHBondContact O-N 3.38Å; E910-Y914 VanDerWaalsContact O-CB 3.26Å; E910-Y914 WeakPolarHBondContact O-CB 3.03Å; E910-Y914 PolarHBondContact O-N 3.04Å |
| 911 | I | 72.5 | Confident | 69 | Low | 23 Ų | 23 | 87.5 Ų | 87.5 | 12% | 0.118 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175 | -67.2 | 174.6 | 0 | 0 | 0 | 111.2 | Y907 H908 K913 Y914 Q915 | Y907-I911 HydrophobicContact CD1-CD1 3.78Å; Y907-I911 HydrophobicContact CE1-CD1 3.21Å; Y907-I911 HydrophobicContact CE1-CG1 4.28Å; Y907-I911 HydrophobicContact CE2-CD1 4.31Å; Y907-I911 WeakPolarHBondContact O-CG1 3.28Å; Y907-I911 PolarHBondContact O-N 3.16Å; H908-I911 PolarHBondContact O-N 3.16Å; I911-K913 VanDerWaalsContact C-N 3.34Å; I911-K913 PolarHBondContact O-N 2.91Å; I911-Y914 CarbonylContact O-C 3.36Å; I911-Y914 WeakPolarHBondContact O-CA 3.29Å; I911-Y914 WeakPolarHBondContact O-CB 3.27Å; I911-Y914 PolarHBondContact O-N 3.28Å; I911-Q915 HydrophobicContact CG2-CG 4.03Å; I911-Q915 WeakPolarHBondContact O-CB 3.41Å; I911-Q915 WeakPolarHBondContact O-CG 3.46Å; I911-Q915 PolarHBondContact O-N 3.23Å |
| 912 | N | 70 | Confident | 66.8 | Low | 42 Ų | 42 | 94.2 Ų | 94.2 | 23% | 0.225 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 179.4 | -76 | -12.2 | 0 | 0 | 0 | 111.5 | H908 H909 Y914 K916 | H908-N912 WeakPolarHBondContact O-CB 3.15Å; H908-N912 PolarHBondContact O-N 3.15Å; H909-N912 PolarHBondContact O-N 3.15Å; N912-Y914 VanDerWaalsContact C-N 3.32Å; N912-K916 WeakPolarHBondContact O-CB 3.45Å; N912-K916 VanDerWaalsContact O-CG 3.29Å; N912-K916 WeakPolarHBondContact O-CG 3.35Å; N912-K916 PolarHBondContact O-N 3.24Å |
| 913 | K | 70.3 | Confident | 64.5 | Low | 132 Ų | 132 | 98.6 Ų | 98.6 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 170.6 | -76.7 | 175.3 | -177.7 | 173.8 | 0 | 111.1 | H909 E910 I911 R917 | H909-K913 WeakPolarHBondContact O-CB 3.26Å; H909-K913 VanDerWaalsContact O-CG 3.32Å; H909-K913 WeakPolarHBondContact O-CG 3.25Å; H909-K913 PolarHBondContact O-N 3.05Å; E910-K913 PolarHBondContact O-N 3.38Å; I911-K913 VanDerWaalsContact C-N 3.34Å; I911-K913 PolarHBondContact O-N 2.91Å; K913-R917 WeakPolarHBondContact O-CB 3.49Å; K913-R917 VanDerWaalsContact O-CG 3.27Å; K913-R917 WeakPolarHBondContact O-CG 3.37Å; K913-R917 PolarHBondContact O-N 2.93Å |
| 914 | Y | 61 | Low | 62.4 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 24% | 0.239 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 179 | -170.8 | -97.2 | 0 | 0 | 0 | 112.2 | E910 I911 N912 R917 K918 K923 I925 | E910-Y914 VanDerWaalsContact O-CB 3.26Å; E910-Y914 WeakPolarHBondContact O-CB 3.03Å; E910-Y914 PolarHBondContact O-N 3.04Å; I911-Y914 CarbonylContact O-C 3.36Å; I911-Y914 WeakPolarHBondContact O-CA 3.29Å; I911-Y914 WeakPolarHBondContact O-CB 3.27Å; I911-Y914 PolarHBondContact O-N 3.28Å; N912-Y914 VanDerWaalsContact C-N 3.32Å; Y914-R917 CarbonylContact O-C 3.42Å; Y914-R917 WeakPolarHBondContact O-CA 3.41Å; Y914-R917 WeakPolarHBondContact O-CB 3.26Å; Y914-R917 PolarHBondContact O-N 2.9Å; Y914-K918 HydrophobicContact CD1-CD 4.24Å; Y914-K918 HydrophobicContact CD1-CG 4.5Å; Y914-K918 HydrophobicContact CE1-CD 3.62Å; Y914-K918 HydrophobicContact CE1-CG 3.91Å; Y914-K918 WeakPolarHBondContact O-CB 3.29Å; Y914-K918 PolarHBondContact O-N 3.47Å; Y914-K923 VanDerWaalsContact OH-C 3.32Å; Y914-K923 WeakPolarHBondContact OH-CA 3.11Å; Y914-K923 WeakPolarHBondContact OH-CB 3.48Å; Y914-K923 PolarHBondContact OH-N 3.05Å; Y914-K923 PolarHBondContact OH-O 3.35Å; Y914-I925 HydrophobicContact CD1-CD1 3.66Å; Y914-I925 HydrophobicContact CD1-CG1 4.45Å; Y914-I925 HydrophobicContact CD2-CD1 3.86Å; Y914-I925 HydrophobicContact CE1-CD1 3.61Å; Y914-I925 HydrophobicContact CE1-CG1 3.96Å; Y914-I925 HydrophobicContact CE2-CD1 3.85Å; Y914-I925 HydrophobicContact CG-CD1 3.78Å |
| 915 | Q | 61.4 | Low | 60.3 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 41% | 0.407 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.7 | -74.2 | 177.2 | -15.8 | 0 | 0 | 111.5 | I911 R917 K918 | I911-Q915 HydrophobicContact CG2-CG 4.03Å; I911-Q915 WeakPolarHBondContact O-CB 3.41Å; I911-Q915 WeakPolarHBondContact O-CG 3.46Å; I911-Q915 PolarHBondContact O-N 3.23Å; Q915-R917 PolarHBondContact O-N 3.4Å; Q915-K918 PolarHBondContact O-N 3.23Å; Q915-K918 VanDerWaalsContact O-N 3.13Å |
| 916 | K | 59.8 | Low | 58.2 | Low | 176 Ų | 176 | 113.9 Ų | 113.9 | 77% | 0.765 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.3 | -34.1 | 171.4 | -75.4 | 179.8 | -179.7 | -177.2 | 0 | 112.4 | N912 | N912-K916 WeakPolarHBondContact O-CB 3.45Å; N912-K916 VanDerWaalsContact O-CG 3.29Å; N912-K916 WeakPolarHBondContact O-CG 3.35Å; N912-K916 PolarHBondContact O-N 3.24Å |
| 917 | R | 59.7 | Low | 56.3 | Low | 186 Ų | 186 | 113 Ų | 113 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -79.1 | -30 | 174.5 | -73.8 | 174.1 | -179.8 | 179.2 | 0.6 | 113.3 | K913 Y914 Q915 N919 K920 | K913-R917 WeakPolarHBondContact O-CB 3.49Å; K913-R917 VanDerWaalsContact O-CG 3.27Å; K913-R917 WeakPolarHBondContact O-CG 3.37Å; K913-R917 PolarHBondContact O-N 2.93Å; Y914-R917 CarbonylContact O-C 3.42Å; Y914-R917 WeakPolarHBondContact O-CA 3.41Å; Y914-R917 WeakPolarHBondContact O-CB 3.26Å; Y914-R917 PolarHBondContact O-N 2.9Å; Q915-R917 PolarHBondContact O-N 3.4Å; R917-N919 PolarHBondContact O-N 3.13Å; R917-K920 CarbonylContact O-C 3.51Å; R917-K920 WeakPolarHBondContact O-CA 3.31Å; R917-K920 PolarHBondContact O-N 3.35Å; R917-K920 VanDerWaalsContact O-O 3.13Å |
| 918 | K | 48.9 | Very low | 54.5 | Low | 74 Ų | 74 | 116.7 Ų | 116.7 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.1 | -16.2 | -176.7 | -132.5 | -173.6 | -175.3 | 177.5 | 0 | 113.8 | Y914 Q915 K920 K923 | Y914-K918 HydrophobicContact CD1-CD 4.24Å; Y914-K918 HydrophobicContact CD1-CG 4.5Å; Y914-K918 HydrophobicContact CE1-CD 3.62Å; Y914-K918 HydrophobicContact CE1-CG 3.91Å; Y914-K918 WeakPolarHBondContact O-CB 3.29Å; Y914-K918 PolarHBondContact O-N 3.47Å; Q915-K918 PolarHBondContact O-N 3.23Å; Q915-K918 VanDerWaalsContact O-N 3.13Å; K918-K920 PolarHBondContact O-N 3.33Å; K918-K923 WeakPolarHBondContact CE-O 3.44Å; K918-K923 PolarHBondContact NZ-O 2.84Å |
| 919 | N | 53.9 | Low | 53 | Low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -5.7 | 157.8 | -75.3 | -6.9 | 0 | 0 | 0 | 112.9 | R917 | R917-N919 PolarHBondContact O-N 3.13Š|
| 920 | K | 41.3 | Very low | 51.6 | Low | 186 Ų | 186 | 118.2 Ų | 118.2 | 81% | 0.809 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -132.9 | 90.3 | 163.7 | -70.3 | -178.1 | 177.6 | 177.7 | 0 | 110.6 | R917 K918 | R917-K920 CarbonylContact O-C 3.51Å; R917-K920 WeakPolarHBondContact O-CA 3.31Å; R917-K920 PolarHBondContact O-N 3.35Å; R917-K920 VanDerWaalsContact O-O 3.13Å; K918-K920 PolarHBondContact O-N 3.33Å |
| 921 | R | 39.8 | Very low | 50.3 | Low | 229 Ų | 229 | 118.7 Ų | 118.7 | 86% | 0.864 | 56% | 0.561 | S | S | * | * | trans | 78.8 | 139.3 | 162.6 | -68.2 | -179.5 | 171.9 | 163.2 | -2.5 | 118.9 | ||||
| 922 | D | 41.7 | Very low | 49.9 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | trans | -77.6 | 121.8 | -168.2 | -59.9 | -58.9 | 0 | 0 | 0 | 114.3 | ||||
| 923 | K | 37.7 | Very low | 49.9 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 71% | 0.709 | 59% | 0.585 | S | S | * | * | trans | -132 | 138.7 | 143.5 | -91.4 | -175.8 | 177 | -176.3 | 0 | 109 | Y914 K918 I925 | Y914-K923 VanDerWaalsContact OH-C 3.32Å; Y914-K923 WeakPolarHBondContact OH-CA 3.11Å; Y914-K923 WeakPolarHBondContact OH-CB 3.48Å; Y914-K923 PolarHBondContact OH-N 3.05Å; Y914-K923 PolarHBondContact OH-O 3.35Å; K918-K923 WeakPolarHBondContact CE-O 3.44Å; K918-K923 PolarHBondContact NZ-O 2.84Å; K923-I925 PolarHBondContact O-N 3.22Å | ||
| 924 | I | 37.7 | Very low | 50 | Low | 156 Ų | 156 | 116.8 Ų | 116.8 | 80% | 0.8 | 57% | 0.565 | S | S | * | * | trans | -85.1 | 106.9 | -175.2 | -63 | 164 | 0 | 0 | 0 | 106.5 | ||||
| 925 | I | 38.9 | Very low | 50.6 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 46% | 0.456 | 56% | 0.557 | S | S | . | * | trans | -88.9 | 124.4 | 164.3 | -63.6 | 179.3 | 0 | 0 | 0 | 105.7 | Y914 K923 T927 | Y914-I925 HydrophobicContact CD1-CD1 3.66Å; Y914-I925 HydrophobicContact CD1-CG1 4.45Å; Y914-I925 HydrophobicContact CD2-CD1 3.86Å; Y914-I925 HydrophobicContact CE1-CD1 3.61Å; Y914-I925 HydrophobicContact CE1-CG1 3.96Å; Y914-I925 HydrophobicContact CE2-CD1 3.85Å; Y914-I925 HydrophobicContact CG-CD1 3.78Å; K923-I925 PolarHBondContact O-N 3.22Å; I925-T927 PolarHBondContact O-N 2.78Å; I925-T927 VanDerWaalsContact O-N 3.15Å | ||
| 926 | N | 37.7 | Very low | 51.3 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 60% | 0.599 | 55% | 0.553 | S | S | * | * | trans | -46.5 | 113.3 | 179.1 | -94.5 | -25 | 0 | 0 | 0 | 111.5 | N928 | N926-N928 PolarHBondContact O-N 3.15Š| ||
| 927 | T | 42 | Very low | 52.3 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -69.5 | -10.5 | 173.2 | 41.9 | 0 | 0 | 0 | 0 | 113.1 | I925 S929 N930 | I925-T927 PolarHBondContact O-N 2.78Å; I925-T927 VanDerWaalsContact O-N 3.15Å; T927-S929 VanDerWaalsContact C-N 3.31Å; T927-S929 PolarHBondContact O-N 3.37Å; T927-N930 WeakPolarHBondContact O-CB 3.5Å; T927-N930 PolarHBondContact O-N 3.3Å |
| 928 | N | 40.6 | Very low | 53.4 | Low | 124 Ų | 124 | 97 Ų | 97 | 66% | 0.663 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -69 | -23.5 | -175.7 | -70.5 | -3.8 | 0 | 0 | 0 | 113.8 | N926 N930 H931 | N926-N928 PolarHBondContact O-N 3.15Å; N928-N930 PolarHBondContact O-N 2.75Å; N928-H931 PolarHBondContact O-N 3.48Å |
| 929 | S | 44.9 | Very low | 55 | Low | 52 Ų | 52 | 94.2 Ų | 94.2 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -71.5 | -17.4 | 175.2 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | Y907 T927 H931 L935 | Y907-S929 PolarHBondContact OH-OG 3.35Å; T927-S929 VanDerWaalsContact C-N 3.31Å; T927-S929 PolarHBondContact O-N 3.37Å; S929-H931 PolarHBondContact O-N 3.2Å; S929-L935 WeakPolarHBondContact O-CD1 3.33Å |
| 930 | N | 47.4 | Very low | 56.4 | Low | 60 Ų | 60 | 89.1 Ų | 89.1 | 32% | 0.321 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -74.1 | -13.1 | 176.7 | -78.6 | -26.6 | 0 | 0 | 0 | 113.3 | T927 N928 R1046 | T927-N930 WeakPolarHBondContact O-CB 3.5Å; T927-N930 PolarHBondContact O-N 3.3Å; N928-N930 PolarHBondContact O-N 2.75Å; N930-R1046 PolarHBondContact OD1-NH1 3.24Å |
| 931 | H | 49.8 | Very low | 58.6 | Low | 152 Ų | 152 | 80.4 Ų | 80.4 | 70% | 0.704 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -102.8 | 10.8 | -170 | -70.8 | -59.7 | 0 | 0 | 0 | 115.2 | N928 S929 | N928-H931 PolarHBondContact O-N 3.48Å; S929-H931 PolarHBondContact O-N 3.2Å |
| 932 | S | 63.6 | Low | 60.8 | Low | 39 Ų | 39 | 69.5 Ų | 69.5 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | trans | -72.9 | 128.9 | 172.4 | 94.9 | 0 | 0 | 0 | 0 | 109.7 | I934 L935 S936 | S932-I934 PolarHBondContact O-N 2.72Å; S932-L935 PolarHBondContact O-N 3.1Å; S932-L935 VanDerWaalsContact O-N 3.15Å; S932-L935 WeakPolarHBondContact OG-CB 3.38Å; S932-L935 WeakPolarHBondContact OG-CD1 3.46Å; S932-L935 WeakPolarHBondContact OG-CG 3.41Å; S932-L935 PolarHBondContact OG-N 3.2Å; S932-S936 PolarHBondContact O-N 3.48Å | ||
| 933 | P | 69.3 | Low | 63 | Low | 86 Ų | 86 | 63.8 Ų | 63.8 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.6 | -33.6 | -177.8 | 20.9 | -31.6 | 0 | 0 | 0 | 112 | S936 L937 | P933-S936 PolarHBondContact O-N 3.35Å; P933-S936 PolarHBondContact O-OG 2.91Å; P933-L937 WeakPolarHBondContact O-CG 3.37Å; P933-L937 PolarHBondContact O-N 3.38Å; P933-L937 VanDerWaalsContact O-N 3.07Å |
| 934 | I | 72.9 | Confident | 65.4 | Low | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.8 | -59.9 | 170.8 | 0 | 0 | 0 | 111.1 | M707 L804 P809 S932 S936 L937 L938 | M707-I934 HydrophobicContact CE-CD1 4.38Å; L804-I934 HydrophobicContact CD2-CG2 3.92Å; L804-I934 HydrophobicContact CG-CG2 4.44Å; P809-I934 HydrophobicContact CB-CG1 4.14Å; P809-I934 HydrophobicContact CG-CG1 4.13Å; S932-I934 PolarHBondContact O-N 2.72Å; I934-S936 VanDerWaalsContact C-N 3.31Å; I934-S936 PolarHBondContact O-N 3.34Å; I934-L937 WeakPolarHBondContact O-CB 3.43Å; I934-L937 PolarHBondContact O-N 2.7Å; I934-L937 VanDerWaalsContact O-N 3.12Å; I934-L938 HydrophobicContact CG2-CD1 4.43Å; I934-L938 PolarHBondContact O-N 2.74Å |
| 935 | L | 74.5 | Confident | 67.9 | Low | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -34.4 | -179.7 | -68.4 | 168.8 | 0 | 0 | 0 | 112 | M708 S929 S932 L937 L938 D939 | M708-L935 HydrophobicContact CE-CD1 3.79Å; M708-L935 HydrophobicContact CE-CD2 3.48Å; M708-L935 VanDerWaalsContact CE-CD2 3.48Å; M708-L935 HydrophobicContact CE-CG 4.26Å; M708-L935 HydrophobicContact SD-CD2 4.4Å; S929-L935 WeakPolarHBondContact O-CD1 3.33Å; S932-L935 PolarHBondContact O-N 3.1Å; S932-L935 VanDerWaalsContact O-N 3.15Å; S932-L935 WeakPolarHBondContact OG-CB 3.38Å; S932-L935 WeakPolarHBondContact OG-CD1 3.46Å; S932-L935 WeakPolarHBondContact OG-CG 3.41Å; S932-L935 PolarHBondContact OG-N 3.2Å; L935-L937 VanDerWaalsContact C-N 3.32Å; L935-L938 HydrophobicContact CD2-CD1 4.25Å; L935-L938 PolarHBondContact O-N 3.26Å; L935-D939 VanDerWaalsContact O-CG 3.25Å; L935-D939 PolarHBondContact O-N 2.72Å |
| 936 | S | 76.2 | Confident | 70.5 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 173.3 | 78.9 | 0 | 0 | 0 | 0 | 112.4 | S932 P933 I934 D939 N940 | S932-S936 PolarHBondContact O-N 3.48Å; P933-S936 PolarHBondContact O-N 3.35Å; P933-S936 PolarHBondContact O-OG 2.91Å; I934-S936 VanDerWaalsContact C-N 3.31Å; I934-S936 PolarHBondContact O-N 3.34Å; S936-D939 PolarHBondContact O-N 3.16Å; S936-N940 VanDerWaalsContact O-CG 3.32Å; S936-N940 PolarHBondContact O-N 2.99Å; S936-N940 PolarHBondContact O-ND2 3.14Å |
| 937 | L | 80 | Confident | 73 | Confident | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 174.7 | -73.2 | 163.5 | 0 | 0 | 0 | 111.4 | L804 P809 P933 I934 L935 D939 N940 F941 | L804-L937 HydrophobicContact CD1-CB 3.88Å; L804-L937 HydrophobicContact CD1-CD1 3.99Å; L804-L937 HydrophobicContact CD1-CG 4.48Å; L804-L937 HydrophobicContact CD2-CB 4.41Å; P809-L937 HydrophobicContact CB-CD1 4.13Å; P933-L937 WeakPolarHBondContact O-CG 3.37Å; P933-L937 PolarHBondContact O-N 3.38Å; P933-L937 VanDerWaalsContact O-N 3.07Å; I934-L937 WeakPolarHBondContact O-CB 3.43Å; I934-L937 PolarHBondContact O-N 2.7Å; I934-L937 VanDerWaalsContact O-N 3.12Å; L935-L937 VanDerWaalsContact C-N 3.32Å; L937-D939 VanDerWaalsContact C-N 3.34Å; L937-D939 PolarHBondContact O-N 3.27Å; L937-N940 PolarHBondContact O-N 3.4Å; L937-F941 WeakPolarHBondContact O-CB 3.37Å; L937-F941 PolarHBondContact O-N 3.26Å |
| 938 | L | 82.6 | Confident | 75.3 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 173.1 | -70.5 | 171.5 | 0 | 0 | 0 | 112.2 | L801 L804 L901 I934 L935 F941 G942 | L801-L938 HydrophobicContact CD1-CD2 3.59Å; L804-L938 HydrophobicContact CD2-CD1 4.45Å; L804-L938 HydrophobicContact CD2-CD2 3.46Å; L804-L938 VanDerWaalsContact CD2-CD2 3.46Å; L804-L938 HydrophobicContact CD2-CG 3.6Å; L901-L938 HydrophobicContact CD2-CD2 3.98Å; I934-L938 HydrophobicContact CG2-CD1 4.43Å; I934-L938 PolarHBondContact O-N 2.74Å; L935-L938 HydrophobicContact CD2-CD1 4.25Å; L935-L938 PolarHBondContact O-N 3.26Å; L938-F941 WeakPolarHBondContact O-CB 3.5Å; L938-F941 PolarHBondContact O-N 2.92Å; L938-G942 PolarHBondContact O-N 3.17Å |
| 939 | D | 82.8 | Confident | 77.8 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 176.6 | -69.1 | -18.1 | 0 | 0 | 0 | 111.4 | R904 H908 L935 S936 L937 G942 A943 Y1043 | R904-D939 IonicContact CZ-OD1 3.33Å; R904-D939 IonicContact CZ-OD2 2.71Å; R904-D939 IonicContact NE-OD1 3.82Å; R904-D939 PolarHBondContact NE-OD1 3.01Å; R904-D939 IonicContact NE-OD2 3.24Å; R904-D939 IonicContact NH2-OD1 3.78Å; R904-D939 PolarHBondContact NH2-OD1 2.85Å; R904-D939 IonicContact NH2-OD2 3.08Å; R904-D939 PolarHBondContact NH2-OD2 3.2Å; H908-D939 IonicContact CD2-OD1 3.89Å; H908-D939 IonicContact CE1-OD1 3.53Å; H908-D939 IonicContact CE1-OD2 3.54Å; H908-D939 IonicContact NE2-OD1 2.77Å; H908-D939 PolarHBondContact NE2-OD1 3.12Å; H908-D939 IonicContact NE2-OD2 3.58Å; L935-D939 VanDerWaalsContact O-CG 3.25Å; L935-D939 PolarHBondContact O-N 2.72Å; S936-D939 PolarHBondContact O-N 3.16Å; L937-D939 VanDerWaalsContact C-N 3.34Å; L937-D939 PolarHBondContact O-N 3.27Å; D939-G942 PolarHBondContact O-N 3.4Å; D939-A943 WeakPolarHBondContact O-CB 3.5Å; D939-A943 PolarHBondContact O-N 3.26Å; D939-Y1043 HydrophobicContact CB-CD1 4.34Å |
| 940 | N | 83.9 | Confident | 80.1 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 172 | -73 | -47.7 | 0 | 0 | 0 | 111.8 | M817 S936 L937 A943 G944 | M817-N940 HydrophobicContact CE-CB 3.96Å; S936-N940 VanDerWaalsContact O-CG 3.32Å; S936-N940 PolarHBondContact O-N 2.99Å; S936-N940 PolarHBondContact O-ND2 3.14Å; L937-N940 PolarHBondContact O-N 3.4Å; N940-A943 PolarHBondContact O-N 3.18Å; N940-G944 PolarHBondContact O-N 3.23Å |
| 941 | F | 86.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.9 | -47.6 | 175.8 | -174.5 | -78.8 | 0 | 0 | 0 | 110.7 | L797 L801 F812 M817 L821 I897 L901 L937 L938 A943 G944 L945 | L797-F941 HydrophobicContact CD2-CE2 4Å; L797-F941 HydrophobicContact CD2-CZ 4.24Å; L801-F941 HydrophobicContact CD1-CD1 4.35Å; L801-F941 HydrophobicContact CD1-CE1 4.38Å; L801-F941 HydrophobicContact CD1-CG 4.45Å; F812-F941 HydrophobicContact CE1-CD2 4.03Å; F812-F941 HydrophobicContact CE1-CE2 4Å; F812-F941 HydrophobicContact CZ-CE2 4.45Å; M817-F941 HydrophobicContact CE-CB 4.46Å; M817-F941 HydrophobicContact CG-CD2 3.5Å; M817-F941 HydrophobicContact CG-CE2 4.11Å; M817-F941 HydrophobicContact CG-CG 4.37Å; M817-F941 WeakPolarHBondContact SD-CA 3.47Å; M817-F941 HydrophobicContact SD-CB 3.45Å; M817-F941 WeakPolarHBondContact SD-CB 3.34Å; M817-F941 HydrophobicContact SD-CD2 3.46Å; M817-F941 WeakPolarHBondContact SD-CD2 3.49Å; M817-F941 HydrophobicContact SD-CG 3.88Å; L821-F941 HydrophobicContact CD2-CZ 4.45Å; I897-F941 HydrophobicContact CG2-CE1 3.35Å; I897-F941 HydrophobicContact CG2-CZ 3.71Å; L901-F941 HydrophobicContact CD1-CD1 3.79Å; L901-F941 HydrophobicContact CD1-CE1 4.03Å; L901-F941 HydrophobicContact CD2-CD1 4.32Å; L937-F941 WeakPolarHBondContact O-CB 3.37Å; L937-F941 PolarHBondContact O-N 3.26Å; L938-F941 WeakPolarHBondContact O-CB 3.5Å; L938-F941 PolarHBondContact O-N 2.92Å; F941-A943 VanDerWaalsContact C-N 3.34Å; F941-A943 PolarHBondContact O-N 3.49Å; F941-G944 PolarHBondContact O-N 2.81Å; F941-L945 HydrophobicContact CE1-CD2 4.45Å; F941-L945 WeakPolarHBondContact O-CB 3.39Å; F941-L945 PolarHBondContact O-N 3.05Å |
| 942 | G | 87.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L938 D939 L945 Y946 | L938-G942 PolarHBondContact O-N 3.17Å; D939-G942 PolarHBondContact O-N 3.4Å; G942-L945 PolarHBondContact O-N 3.37Å; G942-Y946 PolarHBondContact O-N 3.24Å |
| 943 | A | 87.1 | Confident | 85.8 | Confident | 22 Ų | 22 | 30.6 Ų | 30.6 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D939 N940 F941 Y946 Y947 A1047 | D939-A943 WeakPolarHBondContact O-CB 3.5Å; D939-A943 PolarHBondContact O-N 3.26Å; N940-A943 PolarHBondContact O-N 3.18Å; F941-A943 VanDerWaalsContact C-N 3.34Å; F941-A943 PolarHBondContact O-N 3.49Å; A943-Y946 WeakPolarHBondContact O-CB 3.47Å; A943-Y946 PolarHBondContact O-N 3.07Å; A943-Y947 PolarHBondContact O-N 3.01Å; A943-A1047 HydrophobicContact CB-CB 4.42Å |
| 944 | G | 88.3 | Confident | 86.8 | Confident | 17 Ų | 17 | 30 Ų | 30 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | N940 F941 Y946 Y947 T948 | N940-G944 PolarHBondContact O-N 3.23Å; F941-G944 PolarHBondContact O-N 2.81Å; G944-Y946 VanDerWaalsContact C-N 3.34Å; G944-Y946 PolarHBondContact O-N 2.98Å; G944-Y947 PolarHBondContact O-N 3.44Å; G944-T948 PolarHBondContact O-N 3.32Å; G944-T948 PolarHBondContact O-OG1 3.48Å |
| 945 | L | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 176 | -171.6 | 67.4 | 0 | 0 | 0 | 111.2 | L821 V894 I897 L901 F941 G942 Y947 T948 T949 L1040 | L821-L945 HydrophobicContact CD2-CB 4.4Å; L821-L945 HydrophobicContact CD2-CD1 3.97Å; V894-L945 HydrophobicContact CG1-CD1 4.32Å; I897-L945 HydrophobicContact CB-CD2 4.4Å; I897-L945 HydrophobicContact CG2-CD1 4.37Å; I897-L945 HydrophobicContact CG2-CD2 3.69Å; L901-L945 HydrophobicContact CD1-CD2 4.06Å; F941-L945 HydrophobicContact CE1-CD2 4.45Å; F941-L945 WeakPolarHBondContact O-CB 3.39Å; F941-L945 PolarHBondContact O-N 3.05Å; G942-L945 PolarHBondContact O-N 3.37Å; L945-Y947 VanDerWaalsContact C-N 3.32Å; L945-Y947 PolarHBondContact O-N 3.44Å; L945-T948 PolarHBondContact O-N 3.17Å; L945-T949 PolarHBondContact O-N 2.98Å; L945-T949 PolarHBondContact O-OG1 2.87Å; L945-L1040 HydrophobicContact CB-CD1 4.25Å; L945-L1040 HydrophobicContact CD2-CD1 3.68Å; L945-L1040 HydrophobicContact CD2-CD2 4.03Å; L945-L1040 HydrophobicContact CG-CD1 3.69Å |
| 946 | Y | 91.9 | Very high | 88.4 | Confident | 54 Ų | 54 | 28.1 Ų | 28.1 | 21% | 0.212 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.3 | -46.4 | 173.8 | 171.4 | -94.7 | 0 | 0 | 0 | 112.2 | G942 A943 G944 T950 T1037 L1040 A1041 Q1044 | G942-Y946 PolarHBondContact O-N 3.24Å; A943-Y946 WeakPolarHBondContact O-CB 3.47Å; A943-Y946 PolarHBondContact O-N 3.07Å; G944-Y946 VanDerWaalsContact C-N 3.34Å; G944-Y946 PolarHBondContact O-N 2.98Å; Y946-T950 WeakPolarHBondContact O-CB 3.46Å; Y946-T950 PolarHBondContact O-N 3.21Å; Y946-T950 PolarHBondContact O-OG1 3.13Å; Y946-T1037 HydrophobicContact CD2-CG2 3.87Å; Y946-T1037 WeakPolarHBondContact CD2-O 3.45Å; Y946-T1037 HydrophobicContact CE2-CG2 3.52Å; Y946-T1037 WeakPolarHBondContact CE2-O 3.39Å; Y946-L1040 HydrophobicContact CD2-CB 4.13Å; Y946-A1041 HydrophobicContact CD2-CB 4.46Å; Y946-A1041 HydrophobicContact CE2-CB 4.01Å; Y946-Q1044 HydrophobicContact CE1-CG 4.42Å; Y946-Q1044 PolarHBondContact OH-OE1 3.48Å |
| 947 | Y | 90.5 | Very high | 89.1 | Confident | 118 Ų | 118 | 26.5 Ų | 26.5 | 46% | 0.463 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64 | -45.9 | 177.4 | 179 | -99.5 | 0 | 0 | 0 | 111.8 | Y825 A943 G944 L945 T950 K951 | Y825-Y947 HydrophobicContact CE1-CD1 4.5Å; Y825-Y947 HydrophobicContact CE1-CE1 4.09Å; A943-Y947 PolarHBondContact O-N 3.01Å; G944-Y947 PolarHBondContact O-N 3.44Å; L945-Y947 VanDerWaalsContact C-N 3.32Å; L945-Y947 PolarHBondContact O-N 3.44Å; Y947-T950 WeakPolarHBondContact O-CB 3.18Å; Y947-T950 PolarHBondContact O-N 3.18Å; Y947-K951 HydrophobicContact CE1-CG 4.17Å; Y947-K951 VanDerWaalsContact CZ-CE 3.47Å; Y947-K951 PolarHBondContact O-N 3.13Å; Y947-K951 VanDerWaalsContact O-N 3.08Å; Y947-K951 WeakPolarHBondContact OH-CE 3.45Å |
| 948 | T | 91.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 177.3 | -65.1 | 0 | 0 | 0 | 0 | 112 | L821 L824 Y825 G944 L945 T950 K951 L952 | L821-T948 VanDerWaalsContact O-CG2 3.26Å; L821-T948 WeakPolarHBondContact O-CG2 3.5Å; L821-T948 PolarHBondContact O-OG1 3.38Å; L824-T948 HydrophobicContact CB-CG2 4.1Å; L824-T948 HydrophobicContact CD2-CG2 3.93Å; L824-T948 HydrophobicContact CG-CG2 4.4Å; Y825-T948 HydrophobicContact CD1-CG2 4.17Å; G944-T948 PolarHBondContact O-N 3.32Å; G944-T948 PolarHBondContact O-OG1 3.48Å; L945-T948 PolarHBondContact O-N 3.17Å; T948-T950 VanDerWaalsContact C-N 3.31Å; T948-T950 PolarHBondContact O-N 3.3Å; T948-K951 PolarHBondContact O-N 3.31Å; T948-L952 HydrophobicContact CG2-CD1 4.04Å; T948-L952 WeakPolarHBondContact O-CG 3.35Å; T948-L952 PolarHBondContact O-N 3.03Å |
| 949 | T | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 176.8 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | V894 L945 K951 L952 V953 L1033 I1036 T1037 | V894-T949 HydrophobicContact CG1-CG2 4.3Å; L945-T949 PolarHBondContact O-N 2.98Å; L945-T949 PolarHBondContact O-OG1 2.87Å; T949-K951 VanDerWaalsContact C-N 3.31Å; T949-K951 PolarHBondContact O-N 3.22Å; T949-L952 WeakPolarHBondContact O-CB 3.39Å; T949-L952 PolarHBondContact O-N 2.89Å; T949-L952 VanDerWaalsContact O-N 3.15Å; T949-V953 WeakPolarHBondContact O-CG2 3.38Å; T949-V953 PolarHBondContact O-N 3.14Å; T949-L1033 HydrophobicContact CG2-CB 4.26Å; T949-L1033 HydrophobicContact CG2-CD2 3.97Å; T949-L1033 WeakPolarHBondContact CG2-O 3.45Å; T949-I1036 HydrophobicContact CG2-CB 4.39Å; T949-I1036 HydrophobicContact CG2-CG2 4.17Å; T949-T1037 WeakPolarHBondContact CG2-OG1 3.33Å |
| 950 | T | 92.9 | Very high | 90.2 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 31% | 0.307 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60 | -41 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | Y946 Y947 T948 V953 T954 | Y946-T950 WeakPolarHBondContact O-CB 3.46Å; Y946-T950 PolarHBondContact O-N 3.21Å; Y946-T950 PolarHBondContact O-OG1 3.13Å; Y947-T950 WeakPolarHBondContact O-CB 3.18Å; Y947-T950 PolarHBondContact O-N 3.18Å; T948-T950 VanDerWaalsContact C-N 3.31Å; T948-T950 PolarHBondContact O-N 3.3Å; T950-V953 PolarHBondContact O-N 2.9Å; T950-T954 PolarHBondContact O-N 2.95Å |
| 951 | K | 92.2 | Very high | 90.5 | Very high | 78 Ų | 78 | 33.8 Ų | 33.8 | 34% | 0.339 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 174 | -68.4 | -63.6 | -174.2 | 179.2 | 0 | 112.2 | Y825 Y947 T948 T949 V953 T954 I955 | Y825-K951 HydrophobicContact CD1-CB 4.12Å; Y825-K951 HydrophobicContact CD1-CG 4.32Å; Y825-K951 HydrophobicContact CD2-CB 3.85Å; Y825-K951 HydrophobicContact CD2-CG 4.17Å; Y825-K951 HydrophobicContact CE1-CG 4.29Å; Y825-K951 HydrophobicContact CE2-CB 4.36Å; Y825-K951 HydrophobicContact CE2-CG 4.17Å; Y825-K951 HydrophobicContact CG-CB 3.73Å; Y825-K951 HydrophobicContact CG-CG 4.26Å; Y947-K951 HydrophobicContact CE1-CG 4.17Å; Y947-K951 VanDerWaalsContact CZ-CE 3.47Å; Y947-K951 PolarHBondContact O-N 3.13Å; Y947-K951 VanDerWaalsContact O-N 3.08Å; Y947-K951 WeakPolarHBondContact OH-CE 3.45Å; T948-K951 PolarHBondContact O-N 3.31Å; T949-K951 VanDerWaalsContact C-N 3.31Å; T949-K951 PolarHBondContact O-N 3.22Å; K951-V953 VanDerWaalsContact C-N 3.31Å; K951-V953 PolarHBondContact O-N 2.91Å; K951-T954 PolarHBondContact O-N 3.18Å; K951-T954 VanDerWaalsContact O-N 3.11Å; K951-T954 PolarHBondContact O-OG1 3.32Å; K951-I955 WeakPolarHBondContact O-CG1 2.97Å; K951-I955 PolarHBondContact O-N 3.38Å |
| 952 | L | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -36.4 | 176.5 | -69.8 | 166.5 | 0 | 0 | 0 | 112.7 | L824 F828 V890 V894 T948 T949 T954 I955 T956 L1033 | L824-L952 HydrophobicContact CD2-CD1 4.48Å; F828-L952 HydrophobicContact CD2-CD2 4.22Å; F828-L952 HydrophobicContact CE2-CD2 4.03Å; V890-L952 HydrophobicContact CG1-CD1 3.33Å; V890-L952 HydrophobicContact CG1-CD2 3.87Å; V890-L952 HydrophobicContact CG1-CG 4.16Å; V894-L952 HydrophobicContact CG2-CD1 4.14Å; T948-L952 HydrophobicContact CG2-CD1 4.04Å; T948-L952 WeakPolarHBondContact O-CG 3.35Å; T948-L952 PolarHBondContact O-N 3.03Å; T949-L952 WeakPolarHBondContact O-CB 3.39Å; T949-L952 PolarHBondContact O-N 2.89Å; T949-L952 VanDerWaalsContact O-N 3.15Å; L952-T954 VanDerWaalsContact C-N 3.35Å; L952-I955 PolarHBondContact O-N 3.2Å; L952-T956 VanDerWaalsContact O-CB 3.29Å; L952-T956 WeakPolarHBondContact O-CB 3.42Å; L952-T956 PolarHBondContact O-N 3.21Å; L952-T956 PolarHBondContact O-OG1 3.09Å; L952-L1033 HydrophobicContact CB-CD1 4.16Å |
| 953 | V | 94.8 | Very high | 90.5 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -47.7 | 171.2 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | T949 T950 K951 I955 T956 G957 L1030 L1033 Q1034 | T949-V953 WeakPolarHBondContact O-CG2 3.38Å; T949-V953 PolarHBondContact O-N 3.14Å; T950-V953 PolarHBondContact O-N 2.9Å; K951-V953 VanDerWaalsContact C-N 3.31Å; K951-V953 PolarHBondContact O-N 2.91Å; V953-I955 PolarHBondContact O-N 3.39Å; V953-T956 PolarHBondContact O-N 3.39Å; V953-G957 PolarHBondContact O-N 3.02Å; V953-L1030 HydrophobicContact CB-CD1 4.23Å; V953-L1030 HydrophobicContact CG1-CD1 3.67Å; V953-L1030 WeakPolarHBondContact O-CD1 3.4Å; V953-L1033 HydrophobicContact CG2-CB 3.61Å; V953-Q1034 HydrophobicContact CG1-CG 3.86Å; V953-Q1034 HydrophobicContact CG2-CG 4.05Å |
| 954 | T | 90.7 | Very high | 90.6 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 45% | 0.448 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 179 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | T950 K951 L952 G957 Q958 | T950-T954 PolarHBondContact O-N 2.95Å; K951-T954 PolarHBondContact O-N 3.18Å; K951-T954 VanDerWaalsContact O-N 3.11Å; K951-T954 PolarHBondContact O-OG1 3.32Å; L952-T954 VanDerWaalsContact C-N 3.35Å; T954-G957 PolarHBondContact O-N 3.02Å; T954-Q958 WeakPolarHBondContact O-CG 3.48Å; T954-Q958 PolarHBondContact O-N 3.32Å |
| 955 | I | 89.8 | Confident | 90.5 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | 179.3 | -66.5 | 162.5 | 0 | 0 | 0 | 110.8 | Y825 F828 L829 T849 K951 L952 V953 G957 Q958 L959 | Y825-I955 HydrophobicContact CD2-CD1 4.45Å; F828-I955 HydrophobicContact CB-CD1 4.27Å; F828-I955 HydrophobicContact CB-CG2 3.91Å; F828-I955 HydrophobicContact CG-CG2 4.21Å; L829-I955 HydrophobicContact CG-CD1 4.5Å; T849-I955 HydrophobicContact CG2-CG2 4.31Å; K951-I955 WeakPolarHBondContact O-CG1 2.97Å; K951-I955 PolarHBondContact O-N 3.38Å; L952-I955 PolarHBondContact O-N 3.2Å; V953-I955 PolarHBondContact O-N 3.39Å; I955-G957 VanDerWaalsContact C-N 3.32Å; I955-G957 PolarHBondContact O-N 3.14Å; I955-Q958 PolarHBondContact O-N 3.48Å; I955-L959 HydrophobicContact CG2-CD1 4.19Å; I955-L959 WeakPolarHBondContact O-CG 3.43Å; I955-L959 PolarHBondContact O-N 3.23Å |
| 956 | T | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -38.2 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | I887 L952 V953 L959 A960 L1026 L1030 | I887-T956 HydrophobicContact CG2-CG2 3.96Å; L952-T956 VanDerWaalsContact O-CB 3.29Å; L952-T956 WeakPolarHBondContact O-CB 3.42Å; L952-T956 PolarHBondContact O-N 3.21Å; L952-T956 PolarHBondContact O-OG1 3.09Å; V953-T956 PolarHBondContact O-N 3.39Å; T956-L959 PolarHBondContact O-N 2.97Å; T956-A960 WeakPolarHBondContact O-CB 3.45Å; T956-A960 PolarHBondContact O-N 3.39Å; T956-L1026 HydrophobicContact CG2-CB 4.44Å; T956-L1026 HydrophobicContact CG2-CD2 4.17Å; T956-L1026 WeakPolarHBondContact CG2-O 3.46Å; T956-L1030 HydrophobicContact CG2-CB 3.93Å; T956-L1030 HydrophobicContact CG2-CD1 4.34Å |
| 957 | G | 91.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V953 T954 I955 L959 A960 E961 | V953-G957 PolarHBondContact O-N 3.02Å; T954-G957 PolarHBondContact O-N 3.02Å; I955-G957 VanDerWaalsContact C-N 3.32Å; I955-G957 PolarHBondContact O-N 3.14Å; G957-L959 PolarHBondContact O-N 2.96Å; G957-A960 WeakPolarHBondContact O-CB 3.38Å; G957-A960 PolarHBondContact O-N 2.94Å; G957-E961 WeakPolarHBondContact O-CG 3.44Å; G957-E961 PolarHBondContact O-N 2.96Å |
| 958 | Q | 88.5 | Confident | 90 | Very high | 107 Ų | 107 | 33.6 Ų | 33.6 | 50% | 0.5 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | 176.9 | -71.7 | 173.7 | -16.7 | 0 | 0 | 112.3 | T954 I955 A960 E961 V962 | T954-Q958 WeakPolarHBondContact O-CG 3.48Å; T954-Q958 PolarHBondContact O-N 3.32Å; I955-Q958 PolarHBondContact O-N 3.48Å; Q958-A960 VanDerWaalsContact C-N 3.33Å; Q958-A960 PolarHBondContact O-N 3.41Å; Q958-E961 PolarHBondContact O-N 2.99Å; Q958-V962 WeakPolarHBondContact O-CG2 3.33Å; Q958-V962 PolarHBondContact O-N 3.4Å |
| 959 | L | 89 | Confident | 89.8 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 176.2 | -77 | 171.6 | 0 | 0 | 0 | 112.2 | T849 L852 L880 F883 I887 I955 T956 G957 T963 L1026 | T849-L959 HydrophobicContact CG2-CD1 4.46Å; T849-L959 HydrophobicContact CG2-CD2 4.04Å; T849-L959 HydrophobicContact CG2-CG 4.33Å; L852-L959 HydrophobicContact CD1-CD2 3.64Å; L880-L959 HydrophobicContact CD2-CD2 4.33Å; F883-L959 HydrophobicContact CB-CD1 4.13Å; F883-L959 HydrophobicContact CB-CD2 4.26Å; F883-L959 HydrophobicContact CD2-CD2 4.49Å; F883-L959 HydrophobicContact CG-CD2 4.26Å; I887-L959 HydrophobicContact CD1-CD1 4.39Å; I887-L959 HydrophobicContact CG1-CD1 3.98Å; I955-L959 HydrophobicContact CG2-CD1 4.19Å; I955-L959 WeakPolarHBondContact O-CG 3.43Å; I955-L959 PolarHBondContact O-N 3.23Å; T956-L959 PolarHBondContact O-N 2.97Å; G957-L959 PolarHBondContact O-N 2.96Å; L959-T963 WeakPolarHBondContact O-CB 3.47Å; L959-T963 PolarHBondContact O-N 3.16Å; L959-T963 PolarHBondContact O-OG1 2.79Å; L959-L1026 HydrophobicContact CB-CD1 4.01Å; L959-L1026 HydrophobicContact CB-CD2 4.45Å |
| 960 | A | 90.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T956 G957 Q958 V962 T963 D964 L1026 R1027 | T956-A960 WeakPolarHBondContact O-CB 3.45Å; T956-A960 PolarHBondContact O-N 3.39Å; G957-A960 WeakPolarHBondContact O-CB 3.38Å; G957-A960 PolarHBondContact O-N 2.94Å; Q958-A960 VanDerWaalsContact C-N 3.33Å; Q958-A960 PolarHBondContact O-N 3.41Å; A960-V962 PolarHBondContact O-N 3.3Å; A960-T963 PolarHBondContact O-N 3.35Å; A960-D964 PolarHBondContact O-N 3.14Å; A960-L1026 HydrophobicContact CB-CB 4.07Å; A960-R1027 HydrophobicContact CB-CG 4.39Å |
| 961 | E | 88.6 | Confident | 89.2 | Confident | 131 Ų | 131 | 38.5 Ų | 38.5 | 61% | 0.612 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.5 | -44.9 | 176.9 | -72 | 173.9 | -173.5 | 0 | 0 | 112.2 | G957 Q958 T963 D964 C965 | G957-E961 WeakPolarHBondContact O-CG 3.44Å; G957-E961 PolarHBondContact O-N 2.96Å; Q958-E961 PolarHBondContact O-N 2.99Å; E961-T963 VanDerWaalsContact C-N 3.33Å; E961-T963 PolarHBondContact O-N 2.99Å; E961-D964 PolarHBondContact O-N 3.45Å; E961-C965 PolarHBondContact O-N 3.45Å; E961-C965 PolarHBondContact O-SG 3Å |
| 962 | V | 86.5 | Confident | 88.9 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | L852 L880 Q958 A960 D964 C965 W966 | L852-V962 HydrophobicContact CB-CG1 3.98Å; L880-V962 HydrophobicContact CD2-CG1 4.49Å; Q958-V962 WeakPolarHBondContact O-CG2 3.33Å; Q958-V962 PolarHBondContact O-N 3.4Å; A960-V962 PolarHBondContact O-N 3.3Å; V962-D964 VanDerWaalsContact C-N 3.3Å; V962-D964 PolarHBondContact O-N 2.73Å; V962-C965 WeakPolarHBondContact O-CB 3.43Å; V962-C965 PolarHBondContact O-N 2.88Å; V962-C965 VanDerWaalsContact O-N 3.15Å; V962-W966 PolarHBondContact O-N 3.16Å; V962-W966 VanDerWaalsContact O-N 3.16Å |
| 963 | T | 88.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 179.8 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | L880 L959 A960 E961 C965 W966 S967 F1019 I1022 A1023 | L880-T963 HydrophobicContact CD1-CG2 4.49Å; L959-T963 WeakPolarHBondContact O-CB 3.47Å; L959-T963 PolarHBondContact O-N 3.16Å; L959-T963 PolarHBondContact O-OG1 2.79Å; A960-T963 PolarHBondContact O-N 3.35Å; E961-T963 VanDerWaalsContact C-N 3.33Å; E961-T963 PolarHBondContact O-N 2.99Å; T963-C965 VanDerWaalsContact C-N 3.35Å; T963-W966 PolarHBondContact O-N 3.38Å; T963-S967 PolarHBondContact O-N 2.75Å; T963-F1019 HydrophobicContact CG2-CB 4.13Å; T963-F1019 HydrophobicContact CG2-CD1 4.14Å; T963-F1019 WeakPolarHBondContact CG2-O 3.41Å; T963-I1022 HydrophobicContact CG2-CB 4.05Å; T963-I1022 HydrophobicContact CG2-CG2 3.99Å; T963-A1023 HydrophobicContact CG2-CB 3.84Å |
| 964 | D | 88.6 | Confident | 87.9 | Confident | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 173.7 | -72.7 | -29.7 | 0 | 0 | 0 | 112.4 | A960 E961 V962 W966 S967 T968 A1023 R1027 | A960-D964 PolarHBondContact O-N 3.14Å; E961-D964 PolarHBondContact O-N 3.45Å; V962-D964 VanDerWaalsContact C-N 3.3Å; V962-D964 PolarHBondContact O-N 2.73Å; D964-W966 VanDerWaalsContact C-N 3.28Å; D964-W966 PolarHBondContact O-N 2.99Å; D964-S967 PolarHBondContact O-N 3.17Å; D964-T968 WeakPolarHBondContact O-CG2 3.37Å; D964-T968 PolarHBondContact O-N 3.44Å; D964-T968 PolarHBondContact O-OG1 3.02Å; D964-A1023 VanDerWaalsContact OD1-CB 3.28Å; D964-A1023 WeakPolarHBondContact OD1-CB 3.33Å; D964-R1027 IonicContact OD1-CZ 2.88Å; D964-R1027 IonicContact OD1-NH1 2.83Å; D964-R1027 IonicContact OD1-NH2 3.57Å; D964-R1027 PolarHBondContact OD1-NH2 3.37Å; D964-R1027 IonicContact OD2-CZ 3.33Å; D964-R1027 IonicContact OD2-NE 3.96Å; D964-R1027 IonicContact OD2-NH2 3.18Å; D964-R1027 PolarHBondContact OD2-NH2 3.09Å |
| 965 | C | 86.2 | Confident | 87.7 | Confident | 48 Ų | 48 | 39 Ų | 39 | 32% | 0.324 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 174.8 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | P855 E961 V962 T963 T968 W969 | P855-C965 HydrophobicContact CG-CB 4.43Å; P855-C965 WeakPolarHBondContact CG-O 2.96Å; E961-C965 PolarHBondContact O-N 3.45Å; E961-C965 PolarHBondContact O-SG 3Å; V962-C965 WeakPolarHBondContact O-CB 3.43Å; V962-C965 PolarHBondContact O-N 2.88Å; V962-C965 VanDerWaalsContact O-N 3.15Å; T963-C965 VanDerWaalsContact C-N 3.35Å; C965-T968 WeakPolarHBondContact CA-OG1 3.42Å; C965-T968 PolarHBondContact O-OG1 2.91Å; C965-W969 WeakPolarHBondContact O-CB 3.29Å; C965-W969 PolarHBondContact O-N 3.43Å |
| 966 | W | 87 | Confident | 87.5 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.2 | -39.7 | 174 | -81.3 | 93.2 | 0 | 0 | 0 | 112.6 | S853 P873 V876 V962 T963 D964 W969 C970 F1019 | S853-W966 PolarHBondContact O-NE1 2.61Å; P873-W966 HydrophobicContact CB-CZ3 4.3Å; V876-W966 HydrophobicContact CB-CH2 4.47Å; V876-W966 HydrophobicContact CB-CZ2 4.3Å; V876-W966 HydrophobicContact CG1-CD2 4.13Å; V876-W966 HydrophobicContact CG1-CH2 4.5Å; V876-W966 HydrophobicContact CG1-CZ2 3.91Å; V876-W966 HydrophobicContact CG2-CH2 4Å; V876-W966 HydrophobicContact CG2-CZ2 3.86Å; V962-W966 PolarHBondContact O-N 3.16Å; V962-W966 VanDerWaalsContact O-N 3.16Å; T963-W966 PolarHBondContact O-N 3.38Å; D964-W966 VanDerWaalsContact C-N 3.28Å; D964-W966 PolarHBondContact O-N 2.99Å; W966-W969 HydrophobicContact CE3-CD2 4.48Å; W966-W969 AromaticContact CE3-CE3 3.82Å; W966-W969 HydrophobicContact CE3-CE3 3.82Å; W966-W969 HydrophobicContact CE3-CZ3 4.11Å; W966-W969 HydrophobicContact CZ3-CE3 4.04Å; W966-W969 HydrophobicContact CZ3-CH2 4.49Å; W966-W969 HydrophobicContact CZ3-CZ3 4.01Å; W966-W969 PolarHBondContact O-N 3.09Å; W966-C970 PolarHBondContact O-N 2.98Å; W966-C970 PolarHBondContact O-SG 3.23Å; W966-F1019 HydrophobicContact CB-CD1 3.91Å; W966-F1019 HydrophobicContact CB-CD2 4.05Å; W966-F1019 HydrophobicContact CB-CE1 3.94Å; W966-F1019 HydrophobicContact CB-CE2 4.08Å; W966-F1019 HydrophobicContact CB-CG 3.98Å; W966-F1019 HydrophobicContact CB-CZ 4.02Å; W966-F1019 HydrophobicContact CD2-CZ 4.34Å; W966-F1019 HydrophobicContact CE3-CE2 4.3Å; W966-F1019 HydrophobicContact CE3-CZ 4.08Å; W966-F1019 HydrophobicContact CG-CE1 4.31Å; W966-F1019 HydrophobicContact CG-CZ 4.34Å |
| 967 | S | 88.3 | Confident | 87.1 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.4 | 178 | 0 | 0 | 0 | 0 | 112.6 | T963 D964 W969 C970 H971 N1020 | T963-S967 PolarHBondContact O-N 2.75Å; D964-S967 PolarHBondContact O-N 3.17Å; S967-W969 VanDerWaalsContact C-N 3.33Å; S967-W969 PolarHBondContact O-N 2.91Å; S967-C970 WeakPolarHBondContact O-CB 3.33Å; S967-C970 PolarHBondContact O-N 3.43Å; S967-C970 VanDerWaalsContact O-N 3.12Å; S967-H971 PolarHBondContact O-N 3.26Å; S967-N1020 PolarHBondContact OG-ND2 3.38Å; S967-N1020 PolarHBondContact OG-OD1 2.95Å |
| 968 | T | 87.4 | Confident | 86.9 | Confident | 76 Ų | 76 | 46.3 Ų | 46.3 | 47% | 0.466 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63 | -38.9 | 176.7 | 47.9 | 0 | 0 | 0 | 0 | 112 | D964 C965 C970 H971 D972 | D964-T968 WeakPolarHBondContact O-CG2 3.37Å; D964-T968 PolarHBondContact O-N 3.44Å; D964-T968 PolarHBondContact O-OG1 3.02Å; C965-T968 WeakPolarHBondContact CA-OG1 3.42Å; C965-T968 PolarHBondContact O-OG1 2.91Å; T968-C970 VanDerWaalsContact C-N 3.34Å; T968-C970 PolarHBondContact O-N 2.87Å; T968-H971 PolarHBondContact O-N 3.43Å; T968-D972 WeakPolarHBondContact O-CB 3.36Å; T968-D972 PolarHBondContact O-N 3.37Å |
| 969 | W | 86.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 171.5 | 170.4 | 82.7 | 0 | 0 | 0 | 112.8 | P855 H859 P873 C965 W966 S967 H971 D972 V973 S974 E977 F978 | P855-W969 HydrophobicContact CB-CB 3.9Å; P855-W969 HydrophobicContact CB-CD2 4.46Å; P855-W969 HydrophobicContact CB-CG 3.78Å; P855-W969 HydrophobicContact CG-CB 3.54Å; P855-W969 HydrophobicContact CG-CG 4Å; H859-W969 AromaticContact CE1-CD1 3.77Å; P873-W969 HydrophobicContact CB-CH2 4.43Å; P873-W969 HydrophobicContact CB-CZ3 4.42Å; C965-W969 WeakPolarHBondContact O-CB 3.29Å; C965-W969 PolarHBondContact O-N 3.43Å; W966-W969 HydrophobicContact CE3-CD2 4.48Å; W966-W969 AromaticContact CE3-CE3 3.82Å; W966-W969 HydrophobicContact CE3-CE3 3.82Å; W966-W969 HydrophobicContact CE3-CZ3 4.11Å; W966-W969 HydrophobicContact CZ3-CE3 4.04Å; W966-W969 HydrophobicContact CZ3-CH2 4.49Å; W966-W969 HydrophobicContact CZ3-CZ3 4.01Å; W966-W969 PolarHBondContact O-N 3.09Å; S967-W969 VanDerWaalsContact C-N 3.33Å; S967-W969 PolarHBondContact O-N 2.91Å; W969-H971 VanDerWaalsContact C-N 3.32Å; W969-H971 PolarHBondContact O-N 3.43Å; W969-D972 PolarHBondContact O-N 3.4Å; W969-V973 PolarHBondContact O-N 2.89Å; W969-S974 VanDerWaalsContact CH2-CB 3.48Å; W969-S974 PolarHBondContact O-N 2.94Å; W969-E977 VanDerWaalsContact CE2-OE2 3.27Å; W969-E977 VanDerWaalsContact CZ2-OE2 3.24Å; W969-E977 WeakPolarHBondContact CZ2-OE2 3.4Å; W969-E977 PolarHBondContact NE1-OE2 3.05Å; W969-F978 AromaticContact CH2-CE1 3.88Å; W969-F978 HydrophobicContact CH2-CE1 3.88Å; W969-F978 AromaticContact CH2-CZ 3.71Å; W969-F978 HydrophobicContact CH2-CZ 3.71Å; W969-F978 HydrophobicContact CZ3-CZ 4.3Å |
| 970 | C | 87.2 | Confident | 86.6 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 175.5 | -67 | 0 | 0 | 0 | 0 | 112.7 | W966 S967 T968 S974 Y1015 E1016 | W966-C970 PolarHBondContact O-N 2.98Å; W966-C970 PolarHBondContact O-SG 3.23Å; S967-C970 WeakPolarHBondContact O-CB 3.33Å; S967-C970 PolarHBondContact O-N 3.43Å; S967-C970 VanDerWaalsContact O-N 3.12Å; T968-C970 VanDerWaalsContact C-N 3.34Å; T968-C970 PolarHBondContact O-N 2.87Å; C970-S974 WeakPolarHBondContact CA-OG 3.49Å; C970-S974 PolarHBondContact O-OG 2.95Å; C970-Y1015 VanDerWaalsContact SG-CB 3.56Å; C970-E1016 HydrophobicContact CB-CB 3.72Å; C970-E1016 HydrophobicContact CB-CG 4.17Å |
| 971 | H | 86 | Confident | 86.4 | Confident | 129 Ų | 129 | 46 Ų | 46 | 60% | 0.597 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68.7 | -46.3 | 179 | -169.3 | 70.3 | 0 | 0 | 0 | 112.3 | S967 T968 W969 E1016 | S967-H971 PolarHBondContact O-N 3.26Å; T968-H971 PolarHBondContact O-N 3.43Å; W969-H971 VanDerWaalsContact C-N 3.32Å; W969-H971 PolarHBondContact O-N 3.43Å; H971-E1016 HydrophobicContact CB-CG 4.41Å; H971-E1016 IonicContact CG-OE2 3.36Å; H971-E1016 IonicContact ND1-OE1 2.65Å; H971-E1016 IonicContact ND1-OE2 2.75Å; H971-E1016 PolarHBondContact ND1-OE2 2.85Å; H971-E1016 VanDerWaalsContact ND1-OE2 3.07Å |
| 972 | D | 85 | Confident | 86.3 | Confident | 107 Ų | 107 | 39.8 Ų | 39.8 | 57% | 0.572 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -88.8 | -36.4 | -167.1 | -69 | -22.9 | 0 | 0 | 0 | 113.4 | T968 W969 | T968-D972 WeakPolarHBondContact O-CB 3.36Å; T968-D972 PolarHBondContact O-N 3.37Å; W969-D972 PolarHBondContact O-N 3.4Å |
| 973 | V | 84 | Confident | 86.4 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -34.3 | -160.4 | -171.7 | 0 | 0 | 0 | 0 | 114.1 | W969 C975 K976 E977 | W969-V973 PolarHBondContact O-N 2.89Å; V973-C975 VanDerWaalsContact C-N 3.3Å; V973-C975 PolarHBondContact O-N 3.38Å; V973-C975 VanDerWaalsContact O-N 3.11Å; V973-K976 PolarHBondContact O-N 2.92Å; V973-E977 HydrophobicContact CG1-CG 3.72Å; V973-E977 WeakPolarHBondContact CG1-OE1 3.22Å; V973-E977 PolarHBondContact O-N 3.44Å; V973-E977 VanDerWaalsContact O-N 3.11Å |
| 974 | S | 84.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -37.7 | -164.8 | 70.3 | 0 | 0 | 0 | 0 | 114.5 | W969 C970 K976 E977 F978 S1012 | W969-S974 VanDerWaalsContact CH2-CB 3.48Å; W969-S974 PolarHBondContact O-N 2.94Å; C970-S974 WeakPolarHBondContact CA-OG 3.49Å; C970-S974 PolarHBondContact O-OG 2.95Å; S974-K976 VanDerWaalsContact C-N 3.34Å; S974-K976 PolarHBondContact O-N 3.21Å; S974-E977 PolarHBondContact O-N 3.47Å; S974-F978 WeakPolarHBondContact O-CB 3.38Å; S974-F978 VanDerWaalsContact O-CD2 3.27Å; S974-F978 WeakPolarHBondContact O-CD2 3.3Å; S974-F978 WeakPolarHBondContact O-CG 3.33Å; S974-F978 PolarHBondContact O-N 3.02Å; S974-S1012 WeakPolarHBondContact OG-CB 3.34Å; S974-S1012 PolarHBondContact OG-OG 3.02Å |
| 975 | C | 86.4 | Confident | 86.1 | Confident | 30 Ų | 30 | 38 Ų | 38 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 179.9 | -173 | 0 | 0 | 0 | 0 | 111.7 | V973 Q979 S1012 | V973-C975 VanDerWaalsContact C-N 3.3Å; V973-C975 PolarHBondContact O-N 3.38Å; V973-C975 VanDerWaalsContact O-N 3.11Å; C975-Q979 WeakPolarHBondContact O-CB 3.29Å; C975-Q979 PolarHBondContact O-N 3.22Å; C975-S1012 VanDerWaalsContact CA-OG 3.31Å; C975-S1012 WeakPolarHBondContact CA-OG 3.22Å; C975-S1012 PolarHBondContact N-OG 3.01Å |
| 976 | K | 84.5 | Confident | 86.2 | Confident | 148 Ų | 148 | 35.8 Ų | 35.8 | 64% | 0.643 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -69 | -39.4 | 177.5 | -66.9 | 176.9 | -178 | 167.4 | 0 | 111.7 | V973 S974 Q979 L980 | V973-K976 PolarHBondContact O-N 2.92Å; S974-K976 VanDerWaalsContact C-N 3.34Å; S974-K976 PolarHBondContact O-N 3.21Å; K976-Q979 PolarHBondContact O-N 3.23Å; K976-L980 WeakPolarHBondContact O-CB 3.3Å; K976-L980 PolarHBondContact O-N 3.09Å |
| 977 | E | 84.1 | Confident | 86.1 | Confident | 24 Ų | 24 | 38 Ų | 38 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.5 | -44.9 | 176.7 | -83.3 | -179 | -178.4 | 0 | 0 | 111.9 | H859 L860 W969 V973 S974 Q979 L980 I981 | H859-E977 IonicContact CE1-OE1 3.43Å; H859-E977 IonicContact CG-OE1 2.82Å; H859-E977 IonicContact ND1-OE1 2.88Å; H859-E977 PolarHBondContact ND1-OE1 3.46Å; L860-E977 HydrophobicContact CD1-CG 4.49Å; W969-E977 VanDerWaalsContact CE2-OE2 3.27Å; W969-E977 VanDerWaalsContact CZ2-OE2 3.24Å; W969-E977 WeakPolarHBondContact CZ2-OE2 3.4Å; W969-E977 PolarHBondContact NE1-OE2 3.05Å; V973-E977 HydrophobicContact CG1-CG 3.72Å; V973-E977 WeakPolarHBondContact CG1-OE1 3.22Å; V973-E977 PolarHBondContact O-N 3.44Å; V973-E977 VanDerWaalsContact O-N 3.11Å; S974-E977 PolarHBondContact O-N 3.47Å; E977-Q979 VanDerWaalsContact C-N 3.28Å; E977-Q979 PolarHBondContact O-N 3.15Å; E977-L980 PolarHBondContact O-N 2.92Å; E977-L980 VanDerWaalsContact O-N 3.12Å; E977-I981 WeakPolarHBondContact O-CB 3.45Å; E977-I981 WeakPolarHBondContact O-CG1 3.4Å; E977-I981 PolarHBondContact O-N 3.31Å |
| 978 | F | 87.7 | Confident | 85.9 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 174 | -68.6 | -28.8 | 0 | 0 | 0 | 112 | L469 P873 W969 S974 A982 F1008 I1011 Y1015 | L469-F978 HydrophobicContact CD1-CB 3.87Å; L469-F978 HydrophobicContact CD1-CD1 3.8Å; L469-F978 HydrophobicContact CD1-CG 4.05Å; P873-F978 HydrophobicContact CG-CE1 4Å; P873-F978 HydrophobicContact CG-CZ 4.13Å; W969-F978 AromaticContact CH2-CE1 3.88Å; W969-F978 HydrophobicContact CH2-CE1 3.88Å; W969-F978 AromaticContact CH2-CZ 3.71Å; W969-F978 HydrophobicContact CH2-CZ 3.71Å; W969-F978 HydrophobicContact CZ3-CZ 4.3Å; S974-F978 WeakPolarHBondContact O-CB 3.38Å; S974-F978 VanDerWaalsContact O-CD2 3.27Å; S974-F978 WeakPolarHBondContact O-CD2 3.3Å; S974-F978 WeakPolarHBondContact O-CG 3.33Å; S974-F978 PolarHBondContact O-N 3.02Å; F978-A982 VanDerWaalsContact O-CB 3.24Å; F978-A982 WeakPolarHBondContact O-CB 3.39Å; F978-A982 PolarHBondContact O-N 2.86Å; F978-F1008 HydrophobicContact CB-CB 4.02Å; F978-F1008 HydrophobicContact CB-CD2 3.99Å; F978-F1008 HydrophobicContact CB-CG 4.12Å; F978-F1008 HydrophobicContact CD2-CB 4.35Å; F978-I1011 HydrophobicContact CE2-CG2 4.22Å; F978-Y1015 AromaticContact CE2-CD2 3.89Å; F978-Y1015 HydrophobicContact CE2-CD2 3.89Å; F978-Y1015 AromaticContact CE2-CE2 3.97Å; F978-Y1015 HydrophobicContact CE2-CE2 3.97Å; F978-Y1015 AromaticContact CZ-CD2 3.88Å; F978-Y1015 HydrophobicContact CZ-CD2 3.88Å; F978-Y1015 AromaticContact CZ-CE2 3.69Å; F978-Y1015 HydrophobicContact CZ-CE2 3.69Å |
| 979 | Q | 86.2 | Confident | 85.8 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 173.7 | -172 | -156.3 | -0.6 | 0 | 0 | 111.9 | C975 K976 E977 A982 S983 P1003 P1004 H1005 F1008 | C975-Q979 WeakPolarHBondContact O-CB 3.29Å; C975-Q979 PolarHBondContact O-N 3.22Å; K976-Q979 PolarHBondContact O-N 3.23Å; E977-Q979 VanDerWaalsContact C-N 3.28Å; E977-Q979 PolarHBondContact O-N 3.15Å; Q979-A982 PolarHBondContact O-N 2.89Å; Q979-S983 WeakPolarHBondContact O-CB 3.34Å; Q979-S983 PolarHBondContact O-N 3.32Å; Q979-S983 PolarHBondContact O-OG 3.28Å; Q979-P1003 PolarHBondContact NE2-O 2.9Å; Q979-P1004 PolarHBondContact NE2-O 3.32Å; Q979-H1005 VanDerWaalsContact CD-CA 3.47Å; Q979-H1005 PolarHBondContact NE2-ND1 2.87Å; Q979-H1005 VanDerWaalsContact NE2-ND1 3.11Å; Q979-H1005 PolarHBondContact OE1-ND1 3.4Å; Q979-F1008 HydrophobicContact CB-CD2 4.39Å |
| 980 | L | 85.1 | Confident | 85.8 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 40% | 0.398 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 180 | -178.1 | 59.8 | 0 | 0 | 0 | 111 | L860 K976 E977 S983 N984 | L860-L980 HydrophobicContact CD2-CD2 3.74Å; L860-L980 HydrophobicContact CD2-CG 4.34Å; K976-L980 WeakPolarHBondContact O-CB 3.3Å; K976-L980 PolarHBondContact O-N 3.09Å; E977-L980 PolarHBondContact O-N 2.92Å; E977-L980 VanDerWaalsContact O-N 3.12Å; L980-S983 PolarHBondContact O-N 3.13Å; L980-N984 VanDerWaalsContact O-CB 3.31Å; L980-N984 WeakPolarHBondContact O-CB 3.46Å; L980-N984 PolarHBondContact O-N 3.04Å; L980-N984 PolarHBondContact O-ND2 3.07Å; L980-N984 PolarHBondContact O-OD1 3.37Å |
| 981 | I | 85 | Confident | 85.8 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 177.5 | -68.8 | 165.4 | 0 | 0 | 0 | 110.6 | G466 E977 S983 N984 A985 | G466-I981 VanDerWaalsContact CA-CG2 3.44Å; E977-I981 WeakPolarHBondContact O-CB 3.45Å; E977-I981 WeakPolarHBondContact O-CG1 3.4Å; E977-I981 PolarHBondContact O-N 3.31Å; I981-S983 PolarHBondContact O-N 3.31Å; I981-N984 PolarHBondContact O-N 3.46Å; I981-A985 WeakPolarHBondContact O-CB 3.34Å; I981-A985 PolarHBondContact O-N 3.02Å |
| 982 | A | 87.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.4 | -36.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L469 F978 Q979 C986 P1003 F1008 | L469-A982 HydrophobicContact CB-CB 4.02Å; F978-A982 VanDerWaalsContact O-CB 3.24Å; F978-A982 WeakPolarHBondContact O-CB 3.39Å; F978-A982 PolarHBondContact O-N 2.86Å; Q979-A982 PolarHBondContact O-N 2.89Å; A982-C986 VanDerWaalsContact O-CB 3.29Å; A982-C986 WeakPolarHBondContact O-CB 3.45Å; A982-C986 PolarHBondContact O-N 3.44Å; A982-P1003 HydrophobicContact CB-CG 3.87Å; A982-F1008 HydrophobicContact CB-CE2 3.7Å; A982-F1008 HydrophobicContact CB-CZ 3.75Å |
| 983 | S | 87.3 | Confident | 85.8 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 176.1 | -68 | 0 | 0 | 0 | 0 | 111.9 | Q979 L980 I981 A985 C986 T987 | Q979-S983 WeakPolarHBondContact O-CB 3.34Å; Q979-S983 PolarHBondContact O-N 3.32Å; Q979-S983 PolarHBondContact O-OG 3.28Å; L980-S983 PolarHBondContact O-N 3.13Å; I981-S983 PolarHBondContact O-N 3.31Å; S983-A985 VanDerWaalsContact C-N 3.35Å; S983-C986 WeakPolarHBondContact O-CB 3.5Å; S983-C986 PolarHBondContact O-N 3.24Å; S983-T987 PolarHBondContact O-N 3.49Å; S983-T987 PolarHBondContact O-OG1 3.35Å |
| 984 | N | 84.9 | Confident | 85.9 | Confident | 25 Ų | 25 | 43 Ų | 43 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.9 | -70.7 | -10.4 | 0 | 0 | 0 | 110.7 | F463 L980 I981 C986 T987 H988 | F463-N984 HydrophobicContact CD1-CB 4.38Å; F463-N984 HydrophobicContact CE1-CB 3.89Å; L980-N984 VanDerWaalsContact O-CB 3.31Å; L980-N984 WeakPolarHBondContact O-CB 3.46Å; L980-N984 PolarHBondContact O-N 3.04Å; L980-N984 PolarHBondContact O-ND2 3.07Å; L980-N984 PolarHBondContact O-OD1 3.37Å; I981-N984 PolarHBondContact O-N 3.46Å; N984-C986 VanDerWaalsContact C-N 3.31Å; N984-C986 PolarHBondContact O-N 2.98Å; N984-T987 WeakPolarHBondContact CA-OG1 3.45Å; N984-T987 PolarHBondContact O-N 2.88Å; N984-T987 PolarHBondContact O-OG1 3.19Å; N984-H988 VanDerWaalsContact O-CB 3.28Å; N984-H988 WeakPolarHBondContact O-CB 3.25Å; N984-H988 PolarHBondContact O-N 3.44Å |
| 985 | A | 85.9 | Confident | 86 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F463 T467 I981 S983 H988 V989 | F463-A985 HydrophobicContact CB-CB 3.79Å; F463-A985 HydrophobicContact CD1-CB 4.34Å; F463-A985 HydrophobicContact CG-CB 4.26Å; T467-A985 HydrophobicContact CG2-CB 4.06Å; I981-A985 WeakPolarHBondContact O-CB 3.34Å; I981-A985 PolarHBondContact O-N 3.02Å; S983-A985 VanDerWaalsContact C-N 3.35Å; A985-H988 PolarHBondContact O-N 3.41Å; A985-V989 WeakPolarHBondContact O-CB 3.16Å; A985-V989 VanDerWaalsContact O-CG2 3.27Å; A985-V989 WeakPolarHBondContact O-CG2 3.26Å; A985-V989 PolarHBondContact O-N 2.72Å |
| 986 | C | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.8 | -167.7 | 0 | 0 | 0 | 0 | 111.8 | L470 A982 S983 N984 H988 V989 L990 | L470-C986 HydrophobicContact CD1-CB 4.04Å; L470-C986 HydrophobicContact CD2-CB 3.94Å; A982-C986 VanDerWaalsContact O-CB 3.29Å; A982-C986 WeakPolarHBondContact O-CB 3.45Å; A982-C986 PolarHBondContact O-N 3.44Å; S983-C986 WeakPolarHBondContact O-CB 3.5Å; S983-C986 PolarHBondContact O-N 3.24Å; N984-C986 VanDerWaalsContact C-N 3.31Å; N984-C986 PolarHBondContact O-N 2.98Å; C986-H988 VanDerWaalsContact C-N 3.31Å; C986-H988 PolarHBondContact O-N 3.47Å; C986-V989 PolarHBondContact O-N 2.89Å; C986-L990 WeakPolarHBondContact O-CB 3.26Å; C986-L990 PolarHBondContact O-N 2.87Å |
| 987 | T | 86.3 | Confident | 86.1 | Confident | 56 Ų | 56 | 46 Ų | 46 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.6 | -24.8 | 176.6 | 51.7 | 0 | 0 | 0 | 0 | 114 | S983 N984 L990 L995 | S983-T987 PolarHBondContact O-N 3.49Å; S983-T987 PolarHBondContact O-OG1 3.35Å; N984-T987 WeakPolarHBondContact CA-OG1 3.45Å; N984-T987 PolarHBondContact O-N 2.88Å; N984-T987 PolarHBondContact O-OG1 3.19Å; T987-L990 CarbonylContact C-O 3.45Å; T987-L995 HydrophobicContact CG2-CD1 3.79Å |
| 988 | H | 83.8 | Confident | 86.2 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.4 | -38.7 | 174.6 | 175.3 | -86.8 | 0 | 0 | 0 | 111.2 | F463 N984 A985 C986 | F463-H988 HydrophobicContact CD2-CB 3.93Å; F463-H988 AromaticContact CD2-CD2 3.83Å; F463-H988 AromaticContact CD2-CG 3.6Å; F463-H988 AromaticContact CD2-ND1 3.9Å; F463-H988 HydrophobicContact CE2-CB 3.85Å; F463-H988 AromaticContact CE2-CD2 3.41Å; F463-H988 VanDerWaalsContact CE2-CD2 3.41Å; F463-H988 WeakPolarHBondContact CE2-CD2 3.46Å; F463-H988 AromaticContact CE2-CG 3.57Å; F463-H988 HydrophobicContact CZ-CB 4.48Å; N984-H988 VanDerWaalsContact O-CB 3.28Å; N984-H988 WeakPolarHBondContact O-CB 3.25Å; N984-H988 PolarHBondContact O-N 3.44Å; A985-H988 PolarHBondContact O-N 3.41Å; C986-H988 VanDerWaalsContact C-N 3.31Å; C986-H988 PolarHBondContact O-N 3.47Å |
| 989 | V | 84.7 | Confident | 86.1 | Confident | 42 Ų | 42 | 49 Ų | 49 | 26% | 0.255 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -87.9 | -31 | -174.7 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | L401 L451 T467 A985 C986 | L401-V989 HydrophobicContact CD2-CG1 3.19Å; L451-V989 HydrophobicContact CD1-CB 4.39Å; L451-V989 HydrophobicContact CD1-CG1 3.84Å; L451-V989 HydrophobicContact CD1-CG2 4.2Å; T467-V989 HydrophobicContact CG2-CG2 4.3Å; A985-V989 WeakPolarHBondContact O-CB 3.16Å; A985-V989 VanDerWaalsContact O-CG2 3.27Å; A985-V989 WeakPolarHBondContact O-CG2 3.26Å; A985-V989 PolarHBondContact O-N 2.72Å; C986-V989 PolarHBondContact O-N 2.89Å |
| 990 | L | 87.1 | Confident | 86.2 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -117.2 | 139.9 | -178.5 | -58.7 | 175.9 | 0 | 0 | 0 | 110.6 | L401 Q402 L405 W474 C986 T987 F994 L995 L1001 | L401-L990 HydrophobicContact CD2-CD2 4.04Å; L401-L990 HydrophobicContact CG-CD2 4.26Å; Q402-L990 HydrophobicContact CG-CD2 3.93Å; L405-L990 HydrophobicContact CD1-CD1 4.21Å; L405-L990 HydrophobicContact CD1-CD2 4.03Å; W474-L990 HydrophobicContact CH2-CD1 4.47Å; W474-L990 HydrophobicContact CZ2-CD1 4.16Å; C986-L990 WeakPolarHBondContact O-CB 3.26Å; C986-L990 PolarHBondContact O-N 2.87Å; T987-L990 CarbonylContact C-O 3.45Å; L990-F994 HydrophobicContact CD1-CD1 4.38Å; L990-F994 HydrophobicContact CD2-CD1 4.32Å; L990-L995 HydrophobicContact CB-CD2 4.11Å; L990-L995 HydrophobicContact CB-CG 4.18Å; L990-L995 HydrophobicContact CD1-CD2 3.89Å; L990-L1001 HydrophobicContact CD1-CB 4.38Å; L990-L1001 HydrophobicContact CD1-CD1 3.83Å |
| 991 | S | 86.5 | Confident | 86.4 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | trans | -68.1 | 151.4 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | D993 F994 L995 | S991-D993 VanDerWaalsContact C-N 3.25Å; S991-D993 PolarHBondContact O-N 3.28Å; S991-F994 WeakPolarHBondContact O-CB 3.35Å; S991-F994 PolarHBondContact O-N 3.47Å; S991-F994 WeakPolarHBondContact OG-CB 3.37Å; S991-L995 PolarHBondContact O-N 3.23Å; S991-L995 VanDerWaalsContact O-N 3.09Å | ||
| 992 | E | 84.5 | Confident | 86.5 | Confident | 151 Ų | 151 | 48.6 Ų | 48.6 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.2 | -41.5 | 177.2 | -69.5 | -165.3 | 159.9 | 0 | 0 | 111.9 | F994 L995 V996 | E992-F994 PolarHBondContact O-N 3.04Å; E992-L995 PolarHBondContact O-N 3.39Å; E992-L995 VanDerWaalsContact O-N 3.09Å; E992-V996 WeakPolarHBondContact O-CG2 3.16Å; E992-V996 PolarHBondContact O-N 2.95Å |
| 993 | D | 86.9 | Confident | 86.4 | Confident | 137 Ų | 137 | 48.8 Ų | 48.8 | 73% | 0.733 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -56.9 | -37.6 | 175.6 | -62.7 | -30.5 | 0 | 0 | 0 | 112.5 | S991 V996 Q997 | S991-D993 VanDerWaalsContact C-N 3.25Å; S991-D993 PolarHBondContact O-N 3.28Å; D993-V996 PolarHBondContact O-N 2.81Å; D993-Q997 PolarHBondContact O-N 3.26Å; D993-Q997 VanDerWaalsContact O-N 3.16Å |
| 994 | F | 87.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.8 | -37.9 | 178.4 | -163 | -84.6 | 0 | 0 | 0 | 111.6 | Q402 L405 R406 L990 S991 E992 V996 Q997 Y998 L1001 | Q402-F994 HydrophobicContact CB-CD2 4.06Å; Q402-F994 HydrophobicContact CB-CE2 3.69Å; Q402-F994 HydrophobicContact CB-CZ 4.26Å; Q402-F994 HydrophobicContact CG-CD2 3.99Å; Q402-F994 HydrophobicContact CG-CE2 4.06Å; Q402-F994 HydrophobicContact CG-CG 4.4Å; Q402-F994 WeakPolarHBondContact O-CE2 3.45Å; Q402-F994 WeakPolarHBondContact O-CZ 3.4Å; L405-F994 HydrophobicContact CB-CE1 4.11Å; L405-F994 HydrophobicContact CB-CZ 3.86Å; L405-F994 HydrophobicContact CD1-CE1 4.16Å; R406-F994 HydrophobicContact CG-CE2 3.66Å; R406-F994 HydrophobicContact CG-CZ 3.95Å; L990-F994 HydrophobicContact CD1-CD1 4.38Å; L990-F994 HydrophobicContact CD2-CD1 4.32Å; S991-F994 WeakPolarHBondContact O-CB 3.35Å; S991-F994 PolarHBondContact O-N 3.47Å; S991-F994 WeakPolarHBondContact OG-CB 3.37Å; E992-F994 PolarHBondContact O-N 3.04Å; F994-V996 VanDerWaalsContact C-N 3.33Å; F994-Q997 WeakPolarHBondContact O-CB 3.25Å; F994-Q997 PolarHBondContact O-N 3.29Å; F994-Y998 HydrophobicContact CD1-CD2 4.11Å; F994-Y998 AromaticContact CE1-CD2 3.65Å; F994-Y998 HydrophobicContact CE1-CD2 3.65Å; F994-Y998 HydrophobicContact CE1-CE2 4.3Å; F994-Y998 HydrophobicContact CE2-CD2 4.43Å; F994-Y998 HydrophobicContact CE2-CE2 4.39Å; F994-Y998 AromaticContact CZ-CD2 3.82Å; F994-Y998 HydrophobicContact CZ-CD2 3.82Å; F994-Y998 AromaticContact CZ-CE2 4Å; F994-Y998 HydrophobicContact CZ-CE2 4Å; F994-Y998 PolarHBondContact O-N 3.42Å; F994-L1001 HydrophobicContact CD1-CD1 4.05Å; F994-L1001 HydrophobicContact CE1-CD1 3.64Å |
| 995 | L | 86.5 | Confident | 85.4 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.8 | -30.3 | 175.6 | -66.1 | 175.9 | 0 | 0 | 0 | 112.3 | T987 L990 S991 E992 Q997 Y998 P999 L1001 | T987-L995 HydrophobicContact CG2-CD1 3.79Å; L990-L995 HydrophobicContact CB-CD2 4.11Å; L990-L995 HydrophobicContact CB-CG 4.18Å; L990-L995 HydrophobicContact CD1-CD2 3.89Å; S991-L995 PolarHBondContact O-N 3.23Å; S991-L995 VanDerWaalsContact O-N 3.09Å; E992-L995 PolarHBondContact O-N 3.39Å; E992-L995 VanDerWaalsContact O-N 3.09Å; L995-Q997 VanDerWaalsContact C-N 3.31Å; L995-Y998 CarbonylContact O-C 3.56Å; L995-Y998 VanDerWaalsContact O-C 3.26Å; L995-P999 WeakPolarHBondContact O-CA 3.46Å; L995-L1001 HydrophobicContact CD2-CB 4.22Å |
| 996 | V | 85.9 | Confident | 84.9 | Confident | 120 Ų | 120 | 60.2 Ų | 60.2 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.5 | -38.3 | 169.8 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | E992 D993 F994 | E992-V996 WeakPolarHBondContact O-CG2 3.16Å; E992-V996 PolarHBondContact O-N 2.95Å; D993-V996 PolarHBondContact O-N 2.81Å; F994-V996 VanDerWaalsContact C-N 3.33Å |
| 997 | Q | 85.6 | Confident | 84.5 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.6 | -39.3 | 177 | -168.3 | 179.5 | 10.3 | 0 | 0 | 112.5 | D993 F994 L995 | D993-Q997 PolarHBondContact O-N 3.26Å; D993-Q997 VanDerWaalsContact O-N 3.16Å; F994-Q997 WeakPolarHBondContact O-CB 3.25Å; F994-Q997 PolarHBondContact O-N 3.29Å; L995-Q997 VanDerWaalsContact C-N 3.31Å |
| 998 | Y | 87.7 | Confident | 84.6 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | trans | -131 | 72.7 | -177.6 | -58.9 | -69.6 | 0 | 0 | 0 | 111.3 | R406 F409 F994 L995 V1000 L1001 | R406-Y998 HydrophobicContact CG-CE2 4.24Å; F409-Y998 HydrophobicContact CB-CD1 3.95Å; F409-Y998 HydrophobicContact CB-CE1 3.39Å; F409-Y998 AromaticContact CD2-CD1 3.6Å; F409-Y998 HydrophobicContact CD2-CD1 3.6Å; F409-Y998 HydrophobicContact CD2-CD2 4.29Å; F409-Y998 AromaticContact CD2-CE1 3.85Å; F409-Y998 HydrophobicContact CD2-CE1 3.85Å; F409-Y998 HydrophobicContact CD2-CE2 4.48Å; F409-Y998 AromaticContact CD2-CG 3.83Å; F409-Y998 HydrophobicContact CD2-CG 3.83Å; F409-Y998 HydrophobicContact CE2-CD1 4.21Å; F409-Y998 HydrophobicContact CE2-CG 4.18Å; F409-Y998 AromaticContact CG-CD1 3.78Å; F409-Y998 HydrophobicContact CG-CD1 3.78Å; F409-Y998 AromaticContact CG-CE1 3.77Å; F409-Y998 HydrophobicContact CG-CE1 3.77Å; F409-Y998 HydrophobicContact CG-CG 4.47Å; F994-Y998 HydrophobicContact CD1-CD2 4.11Å; F994-Y998 AromaticContact CE1-CD2 3.65Å; F994-Y998 HydrophobicContact CE1-CD2 3.65Å; F994-Y998 HydrophobicContact CE1-CE2 4.3Å; F994-Y998 HydrophobicContact CE2-CD2 4.43Å; F994-Y998 HydrophobicContact CE2-CE2 4.39Å; F994-Y998 AromaticContact CZ-CD2 3.82Å; F994-Y998 HydrophobicContact CZ-CD2 3.82Å; F994-Y998 AromaticContact CZ-CE2 4Å; F994-Y998 HydrophobicContact CZ-CE2 4Å; F994-Y998 PolarHBondContact O-N 3.42Å; L995-Y998 CarbonylContact O-C 3.56Å; L995-Y998 VanDerWaalsContact O-C 3.26Å; Y998-V1000 PolarHBondContact O-N 2.87Å; Y998-V1000 VanDerWaalsContact O-N 3.15Å; Y998-L1001 PolarHBondContact O-N 3.4Å | ||
| 999 | P | 85.4 | Confident | 84.8 | Confident | 58 Ų | 58 | 59 Ų | 59 | 38% | 0.377 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -65.3 | -22.9 | -173.5 | 26.6 | -35.9 | 0 | 0 | 0 | 113.2 | L420 L995 L1001 K1002 | L420-P999 HydrophobicContact CD1-CG 3.8Å; L420-P999 HydrophobicContact CD2-CG 3.88Å; L420-P999 HydrophobicContact CG-CG 4.11Å; L995-P999 WeakPolarHBondContact O-CA 3.46Å; P999-L1001 PolarHBondContact O-N 3.45Å; P999-L1001 VanDerWaalsContact O-N 3.12Å; P999-K1002 PolarHBondContact O-N 3.44Å; P999-K1002 VanDerWaalsContact O-N 3.08Å |
| 1000 | V | 87.1 | Confident | 85.1 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -58.5 | -24.4 | 177.2 | -169.9 | 0 | 0 | 0 | 0 | 112.7 | S416 L419 L420 L423 Y473 I478 Y998 K1002 | S416-V1000 WeakPolarHBondContact O-CG2 3.47Å; L419-V1000 HydrophobicContact CB-CG1 3.57Å; L419-V1000 HydrophobicContact CB-CG2 4.29Å; L419-V1000 HydrophobicContact CD1-CG1 3.69Å; L419-V1000 HydrophobicContact CG-CG1 4.27Å; L420-V1000 HydrophobicContact CB-CG2 4.26Å; L420-V1000 HydrophobicContact CD1-CG2 3.63Å; L420-V1000 HydrophobicContact CG-CG2 3.63Å; L423-V1000 HydrophobicContact CD1-CG1 4.26Å; Y473-V1000 VanDerWaalsContact CE1-O 3.27Å; Y473-V1000 WeakPolarHBondContact CE1-O 3.35Å; Y473-V1000 PolarHBondContact OH-O 2.92Å; I478-V1000 HydrophobicContact CG1-CG1 4.47Å; Y998-V1000 PolarHBondContact O-N 2.87Å; Y998-V1000 VanDerWaalsContact O-N 3.15Å; V1000-K1002 PolarHBondContact O-N 2.91Å |
| 1001 | L | 89.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -67.5 | -21.1 | 178.6 | -70 | 170.7 | 0 | 0 | 0 | 113.3 | L405 F409 W474 I478 L990 F994 L995 Y998 P999 | L405-L1001 HydrophobicContact CD1-CD1 3.99Å; L405-L1001 HydrophobicContact CD1-CD2 4.33Å; L405-L1001 HydrophobicContact CD2-CD2 4.13Å; F409-L1001 HydrophobicContact CE2-CD1 4.05Å; F409-L1001 HydrophobicContact CE2-CD2 3.81Å; F409-L1001 HydrophobicContact CE2-CG 3.95Å; F409-L1001 HydrophobicContact CZ-CD2 3.91Å; F409-L1001 HydrophobicContact CZ-CG 4.19Å; W474-L1001 HydrophobicContact CD2-CD2 4.42Å; W474-L1001 HydrophobicContact CZ2-CD2 3.86Å; W474-L1001 PolarHBondContact NE1-O 3.17Å; I478-L1001 HydrophobicContact CD1-CD2 3.81Å; L990-L1001 HydrophobicContact CD1-CB 4.38Å; L990-L1001 HydrophobicContact CD1-CD1 3.83Å; F994-L1001 HydrophobicContact CD1-CD1 4.05Å; F994-L1001 HydrophobicContact CE1-CD1 3.64Å; L995-L1001 HydrophobicContact CD2-CB 4.22Å; Y998-L1001 PolarHBondContact O-N 3.4Å; P999-L1001 PolarHBondContact O-N 3.45Å; P999-L1001 VanDerWaalsContact O-N 3.12Å |
| 1002 | K | 87.3 | Confident | 85.5 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -88.8 | 127.2 | 177 | -169.3 | 175.8 | -177.1 | 175.4 | 0 | 109.7 | P999 V1000 | P999-K1002 PolarHBondContact O-N 3.44Å; P999-K1002 VanDerWaalsContact O-N 3.08Å; V1000-K1002 PolarHBondContact O-N 2.91Å |
| 1003 | P | 85.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | trans | -68 | 135.8 | -176.1 | 24.3 | -31.9 | 0 | 0 | 0 | 112.7 | Y473 Q979 A982 A1007 F1008 | Y473-P1003 HydrophobicContact CD1-CB 4.11Å; Y473-P1003 HydrophobicContact CD2-CB 4.22Å; Y473-P1003 HydrophobicContact CE1-CB 4.32Å; Y473-P1003 HydrophobicContact CE2-CB 4.39Å; Y473-P1003 HydrophobicContact CG-CB 4.09Å; Q979-P1003 PolarHBondContact NE2-O 2.9Å; A982-P1003 HydrophobicContact CB-CG 3.87Å; P1003-A1007 HydrophobicContact CB-CB 3.93Å; P1003-F1008 HydrophobicContact CB-CE2 3.84Å; P1003-F1008 HydrophobicContact CB-CZ 4.1Å; P1003-F1008 HydrophobicContact CG-CE2 4.09Å; P1003-F1008 HydrophobicContact CG-CZ 4.39Å | ||
| 1004 | P | 81.9 | Confident | 86.1 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | trans | -72.5 | 174.3 | 175 | 33.4 | -40.1 | 0 | 0 | 0 | 112.6 | L423 Q979 C1006 A1007 | L423-P1004 HydrophobicContact CD2-CB 4.07Å; L423-P1004 HydrophobicContact CD2-CG 3.71Å; Q979-P1004 PolarHBondContact NE2-O 3.32Å; P1004-C1006 VanDerWaalsContact C-N 3.27Å; P1004-C1006 PolarHBondContact O-N 3.11Å; P1004-A1007 HydrophobicContact CG-CB 4.1Å; P1004-A1007 PolarHBondContact O-N 3.16Å | ||
| 1005 | H | 70.5 | Confident | 86.3 | Confident | 152 Ų | 152 | 49.5 Ų | 49.5 | 70% | 0.704 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.4 | -174.4 | -75.4 | -58.2 | 0 | 0 | 0 | 116 | Q979 | Q979-H1005 VanDerWaalsContact CD-CA 3.47Å; Q979-H1005 PolarHBondContact NE2-ND1 2.87Å; Q979-H1005 VanDerWaalsContact NE2-ND1 3.11Å; Q979-H1005 PolarHBondContact OE1-ND1 3.4Å |
| 1006 | C | 74.3 | Confident | 86.5 | Confident | 84 Ų | 84 | 50.6 Ų | 50.6 | 57% | 0.568 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 8.4 | -176.6 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | P1004 F1008 E1009 | P1004-C1006 VanDerWaalsContact C-N 3.27Å; P1004-C1006 PolarHBondContact O-N 3.11Å; C1006-F1008 PolarHBondContact O-N 3.11Å; C1006-E1009 PolarHBondContact O-N 3.08Å |
| 1007 | A | 79.4 | Confident | 86.8 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y473 P1003 P1004 | Y473-A1007 HydrophobicContact CD2-CB 4.06Å; Y473-A1007 HydrophobicContact CE2-CB 4.4Å; P1003-A1007 HydrophobicContact CB-CB 3.93Å; P1004-A1007 HydrophobicContact CG-CB 4.1Å; P1004-A1007 PolarHBondContact O-N 3.16Å |
| 1008 | F | 89.1 | Confident | 87.1 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 22.3 | -171.4 | -55.2 | -67 | 0 | 0 | 0 | 113.4 | L469 F978 Q979 A982 P1003 C1006 I1011 S1012 | L469-F1008 HydrophobicContact CB-CE1 4Å; L469-F1008 HydrophobicContact CB-CZ 4.02Å; L469-F1008 HydrophobicContact CD2-CD1 4.19Å; L469-F1008 HydrophobicContact CD2-CE1 4.25Å; L469-F1008 WeakPolarHBondContact O-CE1 3.37Å; F978-F1008 HydrophobicContact CB-CB 4.02Å; F978-F1008 HydrophobicContact CB-CD2 3.99Å; F978-F1008 HydrophobicContact CB-CG 4.12Å; F978-F1008 HydrophobicContact CD2-CB 4.35Å; Q979-F1008 HydrophobicContact CB-CD2 4.39Å; A982-F1008 HydrophobicContact CB-CE2 3.7Å; A982-F1008 HydrophobicContact CB-CZ 3.75Å; P1003-F1008 HydrophobicContact CB-CE2 3.84Å; P1003-F1008 HydrophobicContact CB-CZ 4.1Å; P1003-F1008 HydrophobicContact CG-CE2 4.09Å; P1003-F1008 HydrophobicContact CG-CZ 4.39Å; C1006-F1008 PolarHBondContact O-N 3.11Å; F1008-I1011 HydrophobicContact CD1-CD1 3.88Å; F1008-I1011 PolarHBondContact O-N 3.34Å; F1008-S1012 PolarHBondContact O-N 3.36Å; F1008-S1012 PolarHBondContact O-OG 2.65Å |
| 1009 | E | 88.7 | Confident | 87.3 | Confident | 110 Ų | 110 | 44 Ų | 44 | 51% | 0.514 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 179.5 | -169.7 | 179.3 | 168.5 | 0 | 0 | 111.7 | C1006 I1011 S1012 N1013 | C1006-E1009 PolarHBondContact O-N 3.08Å; E1009-I1011 PolarHBondContact O-N 2.94Å; E1009-S1012 PolarHBondContact O-N 3.38Å; E1009-N1013 WeakPolarHBondContact O-CB 3.45Å; E1009-N1013 PolarHBondContact O-N 2.87Å; E1009-N1013 PolarHBondContact O-ND2 3.3Å |
| 1010 | E | 89.4 | Confident | 87.6 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.9 | -67.6 | -174.6 | 179.8 | 0 | 0 | 112.6 | L507 N1013 V1014 | L507-E1010 HydrophobicContact CD2-CB 4.32Å; E1010-N1013 PolarHBondContact O-N 3.15Å; E1010-V1014 WeakPolarHBondContact O-CG2 3.23Å; E1010-V1014 PolarHBondContact O-N 3.43Å |
| 1011 | I | 92.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -46.3 | 178.1 | -59.2 | 178.2 | 0 | 0 | 0 | 110.1 | L469 V472 Y497 L502 L507 F978 F1008 E1009 N1013 V1014 Y1015 | L469-I1011 HydrophobicContact CD2-CD1 4.04Å; V472-I1011 HydrophobicContact CG1-CD1 4.15Å; Y497-I1011 HydrophobicContact CE1-CD1 4.3Å; Y497-I1011 HydrophobicContact CE1-CG1 4.37Å; L502-I1011 HydrophobicContact CD1-CD1 4.22Å; L507-I1011 HydrophobicContact CD1-CG1 3.88Å; F978-I1011 HydrophobicContact CE2-CG2 4.22Å; F1008-I1011 HydrophobicContact CD1-CD1 3.88Å; F1008-I1011 PolarHBondContact O-N 3.34Å; E1009-I1011 PolarHBondContact O-N 2.94Å; I1011-N1013 VanDerWaalsContact C-N 3.33Å; I1011-N1013 PolarHBondContact O-N 3.04Å; I1011-V1014 PolarHBondContact O-N 3.23Å; I1011-Y1015 HydrophobicContact CG2-CD2 3.79Å; I1011-Y1015 HydrophobicContact CG2-CE2 3.54Å; I1011-Y1015 WeakPolarHBondContact O-CD2 3.43Å; I1011-Y1015 PolarHBondContact O-N 2.89Å |
| 1012 | S | 91.1 | Very high | 88 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | S974 C975 F1008 E1009 V1014 Y1015 E1016 | S974-S1012 WeakPolarHBondContact OG-CB 3.34Å; S974-S1012 PolarHBondContact OG-OG 3.02Å; C975-S1012 VanDerWaalsContact CA-OG 3.31Å; C975-S1012 WeakPolarHBondContact CA-OG 3.22Å; C975-S1012 PolarHBondContact N-OG 3.01Å; F1008-S1012 PolarHBondContact O-N 3.36Å; F1008-S1012 PolarHBondContact O-OG 2.65Å; E1009-S1012 PolarHBondContact O-N 3.38Å; S1012-V1014 PolarHBondContact O-N 2.92Å; S1012-Y1015 PolarHBondContact O-N 2.86Å; S1012-E1016 WeakPolarHBondContact O-CB 3.22Å; S1012-E1016 PolarHBondContact O-N 2.93Å |
| 1013 | N | 91.4 | Very high | 88.2 | Confident | 63 Ų | 63 | 41.7 Ų | 41.7 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 177.4 | -72.3 | -20.5 | 0 | 0 | 0 | 112.6 | E1009 E1010 I1011 K1017 | E1009-N1013 WeakPolarHBondContact O-CB 3.45Å; E1009-N1013 PolarHBondContact O-N 2.87Å; E1009-N1013 PolarHBondContact O-ND2 3.3Å; E1010-N1013 PolarHBondContact O-N 3.15Å; I1011-N1013 VanDerWaalsContact C-N 3.33Å; I1011-N1013 PolarHBondContact O-N 3.04Å; N1013-K1017 WeakPolarHBondContact O-CB 3.44Å; N1013-K1017 VanDerWaalsContact O-CG 3.24Å; N1013-K1017 WeakPolarHBondContact O-CG 3.3Å; N1013-K1017 PolarHBondContact O-N 2.83Å |
| 1014 | V | 91.7 | Very high | 88.5 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.7 | -40.2 | 177 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | C504 E506 L507 E1010 I1011 S1012 K1017 S1018 | C504-V1014 HydrophobicContact CB-CG1 4.03Å; E506-V1014 HydrophobicContact CB-CG1 4.28Å; L507-V1014 HydrophobicContact CD2-CG2 3.67Å; L507-V1014 HydrophobicContact CG-CG2 3.93Å; E1010-V1014 WeakPolarHBondContact O-CG2 3.23Å; E1010-V1014 PolarHBondContact O-N 3.43Å; I1011-V1014 PolarHBondContact O-N 3.23Å; S1012-V1014 PolarHBondContact O-N 2.92Å; V1014-K1017 PolarHBondContact O-N 3.27Å; V1014-S1018 WeakPolarHBondContact O-CB 3.47Å; V1014-S1018 PolarHBondContact O-N 3.21Å; V1014-S1018 PolarHBondContact O-OG 2.96Å |
| 1015 | Y | 92.2 | Very high | 89 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 171.5 | -79.7 | -55.1 | 0 | 0 | 0 | 111.5 | L502 P873 L877 C970 F978 I1011 S1012 K1017 S1018 F1019 | L502-Y1015 WeakPolarHBondContact O-CE1 3.42Å; L502-Y1015 PolarHBondContact O-OH 3.22Å; P873-Y1015 HydrophobicContact CB-CE1 4.5Å; P873-Y1015 HydrophobicContact CG-CE2 4.41Å; L877-Y1015 HydrophobicContact CD2-CD1 3.98Å; L877-Y1015 HydrophobicContact CD2-CE1 4.1Å; C970-Y1015 VanDerWaalsContact SG-CB 3.56Å; F978-Y1015 AromaticContact CE2-CD2 3.89Å; F978-Y1015 HydrophobicContact CE2-CD2 3.89Å; F978-Y1015 AromaticContact CE2-CE2 3.97Å; F978-Y1015 HydrophobicContact CE2-CE2 3.97Å; F978-Y1015 AromaticContact CZ-CD2 3.88Å; F978-Y1015 HydrophobicContact CZ-CD2 3.88Å; F978-Y1015 AromaticContact CZ-CE2 3.69Å; F978-Y1015 HydrophobicContact CZ-CE2 3.69Å; I1011-Y1015 HydrophobicContact CG2-CD2 3.79Å; I1011-Y1015 HydrophobicContact CG2-CE2 3.54Å; I1011-Y1015 WeakPolarHBondContact O-CD2 3.43Å; I1011-Y1015 PolarHBondContact O-N 2.89Å; S1012-Y1015 PolarHBondContact O-N 2.86Å; Y1015-K1017 VanDerWaalsContact C-N 3.32Å; Y1015-K1017 PolarHBondContact O-N 3.19Å; Y1015-S1018 PolarHBondContact O-N 3.37Å; Y1015-S1018 VanDerWaalsContact O-N 3.08Å; Y1015-F1019 HydrophobicContact CD1-CE2 4.25Å; Y1015-F1019 WeakPolarHBondContact O-CD2 3.48Å; Y1015-F1019 PolarHBondContact O-N 3.17Å |
| 1016 | E | 92.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 19% | 0.192 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.8 | -49.4 | 178.5 | -165.7 | -162.4 | 133.3 | 0 | 0 | 110.9 | C970 H971 S1012 S1018 N1020 | C970-E1016 HydrophobicContact CB-CB 3.72Å; C970-E1016 HydrophobicContact CB-CG 4.17Å; H971-E1016 HydrophobicContact CB-CG 4.41Å; H971-E1016 IonicContact CG-OE2 3.36Å; H971-E1016 IonicContact ND1-OE1 2.65Å; H971-E1016 IonicContact ND1-OE2 2.75Å; H971-E1016 PolarHBondContact ND1-OE2 2.85Å; H971-E1016 VanDerWaalsContact ND1-OE2 3.07Å; S1012-E1016 WeakPolarHBondContact O-CB 3.22Å; S1012-E1016 PolarHBondContact O-N 2.93Å; E1016-S1018 VanDerWaalsContact C-N 3.35Å; E1016-S1018 PolarHBondContact O-N 3.44Å; E1016-N1020 VanDerWaalsContact O-CB 3.25Å; E1016-N1020 WeakPolarHBondContact O-CB 3.32Å; E1016-N1020 PolarHBondContact O-N 3.42Å; E1016-N1020 PolarHBondContact O-ND2 3.48Å |
| 1017 | K | 91.4 | Very high | 91 | Very high | 115 Ų | 115 | 35.3 Ų | 35.3 | 50% | 0.5 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 176.5 | -75 | 173.7 | -176.5 | 179.9 | 0 | 112.3 | N1013 V1014 Y1015 N1020 R1021 | N1013-K1017 WeakPolarHBondContact O-CB 3.44Å; N1013-K1017 VanDerWaalsContact O-CG 3.24Å; N1013-K1017 WeakPolarHBondContact O-CG 3.3Å; N1013-K1017 PolarHBondContact O-N 2.83Å; V1014-K1017 PolarHBondContact O-N 3.27Å; Y1015-K1017 VanDerWaalsContact C-N 3.32Å; Y1015-K1017 PolarHBondContact O-N 3.19Å; K1017-N1020 PolarHBondContact O-N 2.84Å; K1017-R1021 VanDerWaalsContact O-CG 3.22Å; K1017-R1021 WeakPolarHBondContact O-CG 3.31Å; K1017-R1021 PolarHBondContact O-N 3.37Å |
| 1018 | S | 92.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.5 | -46.8 | -178 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | V1014 Y1015 E1016 N1020 R1021 I1022 | V1014-S1018 WeakPolarHBondContact O-CB 3.47Å; V1014-S1018 PolarHBondContact O-N 3.21Å; V1014-S1018 PolarHBondContact O-OG 2.96Å; Y1015-S1018 PolarHBondContact O-N 3.37Å; Y1015-S1018 VanDerWaalsContact O-N 3.08Å; E1016-S1018 VanDerWaalsContact C-N 3.35Å; E1016-S1018 PolarHBondContact O-N 3.44Å; S1018-N1020 PolarHBondContact O-N 3.39Å; S1018-R1021 PolarHBondContact O-N 3.33Å; S1018-I1022 WeakPolarHBondContact O-CG1 3.31Å; S1018-I1022 PolarHBondContact O-N 3.44Å; S1018-I1022 VanDerWaalsContact O-N 3.09Å |
| 1019 | F | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 173.9 | -70 | -59 | 0 | 0 | 0 | 111.6 | L877 L880 T963 W966 Y1015 R1021 I1022 A1023 | L877-F1019 HydrophobicContact CB-CE1 3.98Å; L877-F1019 HydrophobicContact CB-CZ 4Å; L877-F1019 HydrophobicContact CD1-CD1 3.67Å; L877-F1019 HydrophobicContact CD1-CE1 3.53Å; L877-F1019 HydrophobicContact CD1-CG 4.28Å; L877-F1019 HydrophobicContact CD1-CZ 4.06Å; L877-F1019 HydrophobicContact CG-CE1 4.36Å; L880-F1019 HydrophobicContact CD1-CD1 4.17Å; L880-F1019 HydrophobicContact CD1-CE1 3.9Å; T963-F1019 HydrophobicContact CG2-CB 4.13Å; T963-F1019 HydrophobicContact CG2-CD1 4.14Å; T963-F1019 WeakPolarHBondContact CG2-O 3.41Å; W966-F1019 HydrophobicContact CB-CD1 3.91Å; W966-F1019 HydrophobicContact CB-CD2 4.05Å; W966-F1019 HydrophobicContact CB-CE1 3.94Å; W966-F1019 HydrophobicContact CB-CE2 4.08Å; W966-F1019 HydrophobicContact CB-CG 3.98Å; W966-F1019 HydrophobicContact CB-CZ 4.02Å; W966-F1019 HydrophobicContact CD2-CZ 4.34Å; W966-F1019 HydrophobicContact CE3-CE2 4.3Å; W966-F1019 HydrophobicContact CE3-CZ 4.08Å; W966-F1019 HydrophobicContact CG-CE1 4.31Å; W966-F1019 HydrophobicContact CG-CZ 4.34Å; Y1015-F1019 HydrophobicContact CD1-CE2 4.25Å; Y1015-F1019 WeakPolarHBondContact O-CD2 3.48Å; Y1015-F1019 PolarHBondContact O-N 3.17Å; F1019-R1021 VanDerWaalsContact C-N 3.34Å; F1019-R1021 PolarHBondContact O-N 3.46Å; F1019-I1022 PolarHBondContact O-N 3.43Å; F1019-A1023 WeakPolarHBondContact O-CB 3.49Å; F1019-A1023 PolarHBondContact O-N 3.02Å |
| 1020 | N | 91.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 31.7 Ų | 31.7 | 32% | 0.321 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 176.1 | -86.5 | -38.3 | 0 | 0 | 0 | 112.9 | S967 E1016 K1017 S1018 A1023 A1024 | S967-N1020 PolarHBondContact OG-ND2 3.38Å; S967-N1020 PolarHBondContact OG-OD1 2.95Å; E1016-N1020 VanDerWaalsContact O-CB 3.25Å; E1016-N1020 WeakPolarHBondContact O-CB 3.32Å; E1016-N1020 PolarHBondContact O-N 3.42Å; E1016-N1020 PolarHBondContact O-ND2 3.48Å; K1017-N1020 PolarHBondContact O-N 2.84Å; S1018-N1020 PolarHBondContact O-N 3.39Å; N1020-A1023 PolarHBondContact O-N 2.92Å; N1020-A1024 VanDerWaalsContact O-CB 3.28Å; N1020-A1024 WeakPolarHBondContact O-CB 3.38Å; N1020-A1024 PolarHBondContact O-N 3.35Å |
| 1021 | R | 91.7 | Very high | 92.4 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 19% | 0.192 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 176.8 | -73.3 | 166.5 | -176.5 | 153 | -12.7 | 111.8 | E506 C539 K1017 S1018 F1019 A1024 G1025 | E506-R1021 IonicContact OE1-CZ 2.72Å; E506-R1021 IonicContact OE1-NH1 3.73Å; E506-R1021 PolarHBondContact OE1-NH1 3.45Å; E506-R1021 IonicContact OE1-NH2 3.74Å; E506-R1021 PolarHBondContact OE1-NH2 3.16Å; E506-R1021 IonicContact OE2-CZ 3.1Å; E506-R1021 IonicContact OE2-NH1 2.89Å; E506-R1021 PolarHBondContact OE2-NH1 3.15Å; E506-R1021 IonicContact OE2-NH2 3.76Å; C539-R1021 PolarHBondContact O-NH1 2.75Å; K1017-R1021 VanDerWaalsContact O-CG 3.22Å; K1017-R1021 WeakPolarHBondContact O-CG 3.31Å; K1017-R1021 PolarHBondContact O-N 3.37Å; S1018-R1021 PolarHBondContact O-N 3.33Å; F1019-R1021 VanDerWaalsContact C-N 3.34Å; F1019-R1021 PolarHBondContact O-N 3.46Å; R1021-A1024 PolarHBondContact O-N 2.67Å; R1021-G1025 PolarHBondContact O-N 3.48Å |
| 1022 | I | 91.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 177 | -65.5 | 167.5 | 0 | 0 | 0 | 110.2 | L877 T881 Y884 T963 S1018 F1019 A1024 G1025 L1026 | L877-I1022 HydrophobicContact CD1-CD1 3.5Å; T881-I1022 VanDerWaalsContact OG1-CD1 3.28Å; T881-I1022 WeakPolarHBondContact OG1-CD1 3.28Å; Y884-I1022 HydrophobicContact CD1-CG2 4.45Å; Y884-I1022 HydrophobicContact CG-CG2 4.17Å; T963-I1022 HydrophobicContact CG2-CB 4.05Å; T963-I1022 HydrophobicContact CG2-CG2 3.99Å; S1018-I1022 WeakPolarHBondContact O-CG1 3.31Å; S1018-I1022 PolarHBondContact O-N 3.44Å; S1018-I1022 VanDerWaalsContact O-N 3.09Å; F1019-I1022 PolarHBondContact O-N 3.43Å; I1022-A1024 VanDerWaalsContact C-N 3.35Å; I1022-A1024 PolarHBondContact O-N 2.87Å; I1022-G1025 PolarHBondContact O-N 3.34Å; I1022-L1026 HydrophobicContact CG2-CD1 3.94Å; I1022-L1026 HydrophobicContact CG2-CG 4.39Å; I1022-L1026 WeakPolarHBondContact O-CB 3.41Å; I1022-L1026 WeakPolarHBondContact O-CG 3.15Å; I1022-L1026 PolarHBondContact O-N 3.47Å |
| 1023 | A | 91.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T963 D964 F1019 N1020 L1026 R1027 | T963-A1023 HydrophobicContact CG2-CB 3.84Å; D964-A1023 VanDerWaalsContact OD1-CB 3.28Å; D964-A1023 WeakPolarHBondContact OD1-CB 3.33Å; F1019-A1023 WeakPolarHBondContact O-CB 3.49Å; F1019-A1023 PolarHBondContact O-N 3.02Å; N1020-A1023 PolarHBondContact O-N 2.92Å; A1023-L1026 PolarHBondContact O-N 2.93Å; A1023-R1027 VanDerWaalsContact C-NH1 3.29Å; A1023-R1027 WeakPolarHBondContact O-CG 3.42Å; A1023-R1027 PolarHBondContact O-N 3.31Å; A1023-R1027 PolarHBondContact O-NH1 2.99Å |
| 1024 | A | 92 | Very high | 92.8 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1020 R1021 I1022 R1027 V1028 | N1020-A1024 VanDerWaalsContact O-CB 3.28Å; N1020-A1024 WeakPolarHBondContact O-CB 3.38Å; N1020-A1024 PolarHBondContact O-N 3.35Å; R1021-A1024 PolarHBondContact O-N 2.67Å; I1022-A1024 VanDerWaalsContact C-N 3.35Å; I1022-A1024 PolarHBondContact O-N 2.87Å; A1024-R1027 PolarHBondContact O-N 2.85Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.41Å; A1024-V1028 PolarHBondContact O-N 3.02Å |
| 1025 | G | 92.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y884 R1021 I1022 R1027 V1028 K1029 | Y884-G1025 WeakPolarHBondContact OH-CA 3.39Å; R1021-G1025 PolarHBondContact O-N 3.48Å; I1022-G1025 PolarHBondContact O-N 3.34Å; G1025-R1027 VanDerWaalsContact C-N 3.33Å; G1025-R1027 PolarHBondContact O-N 3.48Å; G1025-V1028 PolarHBondContact O-N 3.49Å; G1025-K1029 WeakPolarHBondContact O-CG 3.21Å; G1025-K1029 PolarHBondContact O-N 3.44Å |
| 1026 | L | 93.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 176.7 | -74.5 | 168.4 | 0 | 0 | 0 | 112.2 | Y884 I887 T956 L959 A960 I1022 A1023 K1029 L1030 | Y884-L1026 HydrophobicContact CD2-CD2 3.84Å; Y884-L1026 HydrophobicContact CD2-CG 3.88Å; I887-L1026 HydrophobicContact CB-CD2 4.31Å; I887-L1026 HydrophobicContact CG1-CD2 4.35Å; I887-L1026 HydrophobicContact CG2-CD2 4.23Å; T956-L1026 HydrophobicContact CG2-CB 4.44Å; T956-L1026 HydrophobicContact CG2-CD2 4.17Å; T956-L1026 WeakPolarHBondContact CG2-O 3.46Å; L959-L1026 HydrophobicContact CB-CD1 4.01Å; L959-L1026 HydrophobicContact CB-CD2 4.45Å; A960-L1026 HydrophobicContact CB-CB 4.07Å; I1022-L1026 HydrophobicContact CG2-CD1 3.94Å; I1022-L1026 HydrophobicContact CG2-CG 4.39Å; I1022-L1026 WeakPolarHBondContact O-CB 3.41Å; I1022-L1026 WeakPolarHBondContact O-CG 3.15Å; I1022-L1026 PolarHBondContact O-N 3.47Å; A1023-L1026 PolarHBondContact O-N 2.93Å; L1026-K1029 PolarHBondContact O-N 3.49Å; L1026-L1030 WeakPolarHBondContact O-CB 3.32Å; L1026-L1030 PolarHBondContact O-N 3.11Å |
| 1027 | R | 94.3 | Very high | 92.9 | Very high | 109 Ų | 109 | 34.4 Ų | 34.4 | 41% | 0.411 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 175.6 | -71.8 | -178 | -162.8 | 102.3 | -14.4 | 112.9 | A960 D964 A1023 A1024 G1025 L1030 S1031 | A960-R1027 HydrophobicContact CB-CG 4.39Å; D964-R1027 IonicContact OD1-CZ 2.88Å; D964-R1027 IonicContact OD1-NH1 2.83Å; D964-R1027 IonicContact OD1-NH2 3.57Å; D964-R1027 PolarHBondContact OD1-NH2 3.37Å; D964-R1027 IonicContact OD2-CZ 3.33Å; D964-R1027 IonicContact OD2-NE 3.96Å; D964-R1027 IonicContact OD2-NH2 3.18Å; D964-R1027 PolarHBondContact OD2-NH2 3.09Å; A1023-R1027 VanDerWaalsContact C-NH1 3.29Å; A1023-R1027 WeakPolarHBondContact O-CG 3.42Å; A1023-R1027 PolarHBondContact O-N 3.31Å; A1023-R1027 PolarHBondContact O-NH1 2.99Å; A1024-R1027 PolarHBondContact O-N 2.85Å; G1025-R1027 VanDerWaalsContact C-N 3.33Å; G1025-R1027 PolarHBondContact O-N 3.48Å; R1027-L1030 WeakPolarHBondContact O-CB 3.49Å; R1027-L1030 PolarHBondContact O-N 2.74Å; R1027-S1031 PolarHBondContact O-N 3.29Å |
| 1028 | V | 92.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | 173.5 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | V543 H622 A1024 G1025 L1030 S1031 C1032 | V543-V1028 HydrophobicContact CG2-CG2 3.84Å; H622-V1028 VanDerWaalsContact CE1-CG1 3.43Å; H622-V1028 WeakPolarHBondContact CE1-CG1 3.27Å; H622-V1028 WeakPolarHBondContact ND1-CG1 3Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.41Å; A1024-V1028 PolarHBondContact O-N 3.02Å; G1025-V1028 PolarHBondContact O-N 3.49Å; V1028-L1030 VanDerWaalsContact C-N 3.31Å; V1028-L1030 PolarHBondContact O-N 3.19Å; V1028-S1031 WeakPolarHBondContact O-CB 3.42Å; V1028-S1031 PolarHBondContact O-N 3.37Å; V1028-C1032 PolarHBondContact O-N 3.5Å; V1028-C1032 PolarHBondContact O-SG 3.44Å |
| 1029 | K | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | 176.2 | -59.7 | -62.5 | 174.6 | 164.2 | 0 | 112.4 | V619 Q621 Y884 I887 S888 T891 G1025 L1026 C1032 L1033 | V619-K1029 WeakPolarHBondContact O-CE 3.19Å; V619-K1029 PolarHBondContact O-NZ 3.05Å; Q621-K1029 PolarHBondContact O-NZ 3.37Å; Y884-K1029 HydrophobicContact CE2-CG 4.42Å; I887-K1029 HydrophobicContact CG2-CB 3.95Å; I887-K1029 HydrophobicContact CG2-CG 4.39Å; S888-K1029 VanDerWaalsContact OG-CE 3.3Å; S888-K1029 WeakPolarHBondContact OG-CE 3.42Å; T891-K1029 HydrophobicContact CG2-CD 4.22Å; G1025-K1029 WeakPolarHBondContact O-CG 3.21Å; G1025-K1029 PolarHBondContact O-N 3.44Å; L1026-K1029 PolarHBondContact O-N 3.49Å; K1029-C1032 WeakPolarHBondContact O-CB 3.16Å; K1029-C1032 PolarHBondContact O-N 3.26Å; K1029-L1033 WeakPolarHBondContact O-CB 3.47Å; K1029-L1033 WeakPolarHBondContact O-CG 3.45Å; K1029-L1033 PolarHBondContact O-N 3.24Å |
| 1030 | L | 95.2 | Very high | 92.3 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 173.6 | -179 | 65.9 | 0 | 0 | 0 | 111.2 | V953 T956 L1026 R1027 V1028 L1033 Q1034 | V953-L1030 HydrophobicContact CB-CD1 4.23Å; V953-L1030 HydrophobicContact CG1-CD1 3.67Å; V953-L1030 WeakPolarHBondContact O-CD1 3.4Å; T956-L1030 HydrophobicContact CG2-CB 3.93Å; T956-L1030 HydrophobicContact CG2-CD1 4.34Å; L1026-L1030 WeakPolarHBondContact O-CB 3.32Å; L1026-L1030 PolarHBondContact O-N 3.11Å; R1027-L1030 WeakPolarHBondContact O-CB 3.49Å; R1027-L1030 PolarHBondContact O-N 2.74Å; V1028-L1030 VanDerWaalsContact C-N 3.31Å; V1028-L1030 PolarHBondContact O-N 3.19Å; L1030-L1033 PolarHBondContact O-N 3.07Å; L1030-Q1034 WeakPolarHBondContact O-CB 3.15Å; L1030-Q1034 VanDerWaalsContact O-CG 3.29Å; L1030-Q1034 WeakPolarHBondContact O-CG 3.3Å; L1030-Q1034 PolarHBondContact O-N 3.49Å |
| 1031 | S | 94.3 | Very high | 92 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | R1027 V1028 L1033 Q1034 N1035 | R1027-S1031 PolarHBondContact O-N 3.29Å; V1028-S1031 WeakPolarHBondContact O-CB 3.42Å; V1028-S1031 PolarHBondContact O-N 3.37Å; S1031-L1033 PolarHBondContact O-N 3.26Å; S1031-Q1034 PolarHBondContact O-N 3.26Å; S1031-N1035 VanDerWaalsContact O-CG 3.26Å; S1031-N1035 PolarHBondContact O-N 3.27Å; S1031-N1035 PolarHBondContact O-ND2 3.1Å |
| 1032 | C | 93.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 35 Ų | 35 | 12% | 0.122 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 174.4 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | T891 V1028 K1029 Q1034 N1035 I1036 | T891-C1032 HydrophobicContact CG2-CB 3.87Å; V1028-C1032 PolarHBondContact O-N 3.5Å; V1028-C1032 PolarHBondContact O-SG 3.44Å; K1029-C1032 WeakPolarHBondContact O-CB 3.16Å; K1029-C1032 PolarHBondContact O-N 3.26Å; C1032-Q1034 VanDerWaalsContact C-N 3.32Å; C1032-Q1034 PolarHBondContact O-N 2.74Å; C1032-N1035 PolarHBondContact O-N 3.28Å; C1032-I1036 VanDerWaalsContact O-CG1 3.3Å; C1032-I1036 WeakPolarHBondContact O-CG1 3.48Å; C1032-I1036 PolarHBondContact O-N 3.06Å |
| 1033 | L | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 177.8 | -71.1 | 169.9 | 0 | 0 | 0 | 112.1 | T891 T949 L952 V953 K1029 L1030 S1031 I1036 T1037 | T891-L1033 HydrophobicContact CG2-CD2 4.11Å; T891-L1033 HydrophobicContact CG2-CG 4.09Å; T949-L1033 HydrophobicContact CG2-CB 4.26Å; T949-L1033 HydrophobicContact CG2-CD2 3.97Å; T949-L1033 WeakPolarHBondContact CG2-O 3.45Å; L952-L1033 HydrophobicContact CB-CD1 4.16Å; V953-L1033 HydrophobicContact CG2-CB 3.61Å; K1029-L1033 WeakPolarHBondContact O-CB 3.47Å; K1029-L1033 WeakPolarHBondContact O-CG 3.45Å; K1029-L1033 PolarHBondContact O-N 3.24Å; L1030-L1033 PolarHBondContact O-N 3.07Å; S1031-L1033 PolarHBondContact O-N 3.26Å; L1033-I1036 PolarHBondContact O-N 3.3Å; L1033-T1037 WeakPolarHBondContact O-CB 3.29Å; L1033-T1037 PolarHBondContact O-N 3.39Å; L1033-T1037 PolarHBondContact O-OG1 3.42Å |
| 1034 | Q | 95.1 | Very high | 90.2 | Very high | 92 Ų | 92 | 38.9 Ų | 38.9 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.5 | -46 | 173.6 | -75 | 172.9 | -14.4 | 0 | 0 | 111.3 | V953 L1030 S1031 C1032 I1036 T1037 T1038 | V953-Q1034 HydrophobicContact CG1-CG 3.86Å; V953-Q1034 HydrophobicContact CG2-CG 4.05Å; L1030-Q1034 WeakPolarHBondContact O-CB 3.15Å; L1030-Q1034 VanDerWaalsContact O-CG 3.29Å; L1030-Q1034 WeakPolarHBondContact O-CG 3.3Å; L1030-Q1034 PolarHBondContact O-N 3.49Å; S1031-Q1034 PolarHBondContact O-N 3.26Å; C1032-Q1034 VanDerWaalsContact C-N 3.32Å; C1032-Q1034 PolarHBondContact O-N 2.74Å; Q1034-I1036 PolarHBondContact O-N 3.2Å; Q1034-T1037 WeakPolarHBondContact O-CB 3.41Å; Q1034-T1037 PolarHBondContact O-N 2.85Å; Q1034-T1037 VanDerWaalsContact O-N 3.13Å; Q1034-T1038 WeakPolarHBondContact O-CG2 3.42Å; Q1034-T1038 PolarHBondContact O-N 3.28Å |
| 1035 | N | 92.9 | Very high | 88.6 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 47% | 0.471 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 175.7 | -67.4 | -20.1 | 0 | 0 | 0 | 111 | S1031 C1032 T1037 T1038 E1039 | S1031-N1035 VanDerWaalsContact O-CG 3.26Å; S1031-N1035 PolarHBondContact O-N 3.27Å; S1031-N1035 PolarHBondContact O-ND2 3.1Å; C1032-N1035 PolarHBondContact O-N 3.28Å; N1035-T1037 VanDerWaalsContact C-N 3.29Å; N1035-T1037 PolarHBondContact O-N 3.45Å; N1035-T1038 PolarHBondContact O-N 2.92Å; N1035-T1038 VanDerWaalsContact O-N 3.11Å; N1035-T1038 PolarHBondContact O-OG1 2.72Å; N1035-E1039 PolarHBondContact O-N 3.42Å; N1035-E1039 VanDerWaalsContact O-N 3.09Å |
| 1036 | I | 91.9 | Very high | 86.8 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.3 | -65.9 | 163.9 | 0 | 0 | 0 | 111.1 | V894 Q898 T949 C1032 L1033 Q1034 T1038 E1039 L1040 | V894-I1036 HydrophobicContact CG1-CD1 4.38Å; V894-I1036 HydrophobicContact CG1-CG2 3.91Å; Q898-I1036 HydrophobicContact CB-CG2 4.07Å; Q898-I1036 HydrophobicContact CG-CG2 3.98Å; T949-I1036 HydrophobicContact CG2-CB 4.39Å; T949-I1036 HydrophobicContact CG2-CG2 4.17Å; C1032-I1036 VanDerWaalsContact O-CG1 3.3Å; C1032-I1036 WeakPolarHBondContact O-CG1 3.48Å; C1032-I1036 PolarHBondContact O-N 3.06Å; L1033-I1036 PolarHBondContact O-N 3.3Å; Q1034-I1036 PolarHBondContact O-N 3.2Å; I1036-T1038 VanDerWaalsContact C-N 3.32Å; I1036-T1038 PolarHBondContact O-N 2.92Å; I1036-E1039 PolarHBondContact O-N 3.01Å; I1036-L1040 HydrophobicContact CG2-CD1 3.73Å; I1036-L1040 HydrophobicContact CG2-CG 4.24Å; I1036-L1040 VanDerWaalsContact O-CG 3.32Å; I1036-L1040 WeakPolarHBondContact O-CG 3.43Å; I1036-L1040 PolarHBondContact O-N 3.4Å |
| 1037 | T | 92.2 | Very high | 84.7 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | Y946 T949 L1033 Q1034 N1035 L1040 A1041 | Y946-T1037 HydrophobicContact CD2-CG2 3.87Å; Y946-T1037 WeakPolarHBondContact CD2-O 3.45Å; Y946-T1037 HydrophobicContact CE2-CG2 3.52Å; Y946-T1037 WeakPolarHBondContact CE2-O 3.39Å; T949-T1037 WeakPolarHBondContact CG2-OG1 3.33Å; L1033-T1037 WeakPolarHBondContact O-CB 3.29Å; L1033-T1037 PolarHBondContact O-N 3.39Å; L1033-T1037 PolarHBondContact O-OG1 3.42Å; Q1034-T1037 WeakPolarHBondContact O-CB 3.41Å; Q1034-T1037 PolarHBondContact O-N 2.85Å; Q1034-T1037 VanDerWaalsContact O-N 3.13Å; N1035-T1037 VanDerWaalsContact C-N 3.29Å; N1035-T1037 PolarHBondContact O-N 3.45Å; T1037-L1040 PolarHBondContact O-N 3Å; T1037-A1041 PolarHBondContact O-N 3.44Å; T1037-A1041 VanDerWaalsContact O-N 3.12Å |
| 1038 | T | 89.2 | Confident | 82.1 | Confident | 97 Ų | 97 | 43.6 Ų | 43.6 | 60% | 0.595 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.7 | -37.2 | 177.3 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | Q1034 N1035 I1036 A1041 | Q1034-T1038 WeakPolarHBondContact O-CG2 3.42Å; Q1034-T1038 PolarHBondContact O-N 3.28Å; N1035-T1038 PolarHBondContact O-N 2.92Å; N1035-T1038 VanDerWaalsContact O-N 3.11Å; N1035-T1038 PolarHBondContact O-OG1 2.72Å; I1036-T1038 VanDerWaalsContact C-N 3.32Å; I1036-T1038 PolarHBondContact O-N 2.92Å; T1038-A1041 WeakPolarHBondContact O-CB 3.49Å; T1038-A1041 PolarHBondContact O-N 3.4Å |
| 1039 | E | 86.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.5 | -34.2 | 176.9 | -67.8 | -172.8 | -173.8 | 0 | 0 | 112.3 | Q898 N1035 I1036 A1041 | Q898-E1039 PolarHBondContact NE2-OE2 3Å; N1035-E1039 PolarHBondContact O-N 3.42Å; N1035-E1039 VanDerWaalsContact O-N 3.09Å; I1036-E1039 PolarHBondContact O-N 3.01Å; E1039-A1041 VanDerWaalsContact C-N 3.33Å |
| 1040 | L | 87.7 | Confident | 77.2 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77 | -14.9 | 177 | -67.5 | 173.9 | 0 | 0 | 0 | 113.8 | Q898 L945 Y946 I1036 T1037 V1042 Y1043 | Q898-L1040 HydrophobicContact CB-CD2 4.43Å; Q898-L1040 HydrophobicContact CG-CD2 4Å; Q898-L1040 HydrophobicContact CG-CG 4.22Å; L945-L1040 HydrophobicContact CB-CD1 4.25Å; L945-L1040 HydrophobicContact CD2-CD1 3.68Å; L945-L1040 HydrophobicContact CD2-CD2 4.03Å; L945-L1040 HydrophobicContact CG-CD1 3.69Å; Y946-L1040 HydrophobicContact CD2-CB 4.13Å; I1036-L1040 HydrophobicContact CG2-CD1 3.73Å; I1036-L1040 HydrophobicContact CG2-CG 4.24Å; I1036-L1040 VanDerWaalsContact O-CG 3.32Å; I1036-L1040 WeakPolarHBondContact O-CG 3.43Å; I1036-L1040 PolarHBondContact O-N 3.4Å; T1037-L1040 PolarHBondContact O-N 3Å; L1040-V1042 PolarHBondContact O-N 3.32Å; L1040-Y1043 HydrophobicContact CD2-CD2 4.19Å; L1040-Y1043 HydrophobicContact CD2-CE2 4.13Å; L1040-Y1043 WeakPolarHBondContact O-CD2 3.47Å; L1040-Y1043 PolarHBondContact O-N 3.37Å |
| 1041 | A | 86.4 | Confident | 74.4 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.7 | -21.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y946 T1037 T1038 E1039 Y1043 Q1044 | Y946-A1041 HydrophobicContact CD2-CB 4.46Å; Y946-A1041 HydrophobicContact CE2-CB 4.01Å; T1037-A1041 PolarHBondContact O-N 3.44Å; T1037-A1041 VanDerWaalsContact O-N 3.12Å; T1038-A1041 WeakPolarHBondContact O-CB 3.49Å; T1038-A1041 PolarHBondContact O-N 3.4Å; E1039-A1041 VanDerWaalsContact C-N 3.33Å; A1041-Y1043 PolarHBondContact O-N 2.86Å; A1041-Q1044 WeakPolarHBondContact O-CB 3.3Å; A1041-Q1044 PolarHBondContact O-N 3.08Å |
| 1042 | V | 83.8 | Confident | 71.6 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -36.8 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | H908 H909 L1040 S1045 | H908-V1042 HydrophobicContact CB-CG1 3.28Å; H909-V1042 WeakPolarHBondContact CE1-CG2 3.44Å; H909-V1042 WeakPolarHBondContact NE2-CG2 3.4Å; L1040-V1042 PolarHBondContact O-N 3.32Å; V1042-S1045 PolarHBondContact O-OG 3.23Å |
| 1043 | Y | 81.4 | Confident | 69 | Low | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.9 | -28.2 | -179.3 | -65.8 | -77.6 | 0 | 0 | 0 | 113.4 | L901 R904 S905 H908 D939 L1040 A1041 A1047 | L901-Y1043 PolarHBondContact O-OH 3.06Å; L901-Y1043 VanDerWaalsContact O-OH 3.09Å; R904-Y1043 WeakPolarHBondContact CB-OH 3.12Å; R904-Y1043 HydrophobicContact CG-CE1 3.93Å; S905-Y1043 PolarHBondContact N-OH 3.48Å; H908-Y1043 AromaticContact CD2-CE1 3.86Å; H908-Y1043 AromaticContact NE2-CE1 3.88Å; D939-Y1043 HydrophobicContact CB-CD1 4.34Å; L1040-Y1043 HydrophobicContact CD2-CD2 4.19Å; L1040-Y1043 HydrophobicContact CD2-CE2 4.13Å; L1040-Y1043 WeakPolarHBondContact O-CD2 3.47Å; L1040-Y1043 PolarHBondContact O-N 3.37Å; A1041-Y1043 PolarHBondContact O-N 2.86Å; Y1043-A1047 PolarHBondContact O-N 3.02Å |
| 1044 | Q | 71 | Confident | 66.2 | Low | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 178.5 | -169.5 | -172.1 | 6.4 | 0 | 0 | 112 | Y946 A1041 R1046 A1047 | Y946-Q1044 HydrophobicContact CE1-CG 4.42Å; Y946-Q1044 PolarHBondContact OH-OE1 3.48Å; A1041-Q1044 WeakPolarHBondContact O-CB 3.3Å; A1041-Q1044 PolarHBondContact O-N 3.08Å; Q1044-R1046 PolarHBondContact O-N 2.87Å; Q1044-R1046 VanDerWaalsContact O-N 3.16Å; Q1044-A1047 PolarHBondContact O-N 3.34Å |
| 1045 | S | 60 | Low | 63.4 | Low | 55 Ų | 55 | 62.9 Ų | 62.9 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.1 | -31 | -176.4 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | V1042 | V1042-S1045 PolarHBondContact O-OG 3.23Å |
| 1046 | R | 53.2 | Low | 61.1 | Low | 22 Ų | 22 | 62 Ų | 62 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -94.4 | -25.9 | 179.2 | -80 | -166.9 | 178.4 | -174.2 | 8.7 | 115.4 | H908 N930 Q1044 H1048 E1049 I1050 | H908-R1046 PolarHBondContact CE1-NH1 2.57Å; H908-R1046 VanDerWaalsContact CE1-NH1 3.35Å; H908-R1046 VanDerWaalsContact ND1-CZ 3.33Å; H908-R1046 PolarHBondContact ND1-NH1 2.89Å; N930-R1046 PolarHBondContact OD1-NH1 3.24Å; Q1044-R1046 PolarHBondContact O-N 2.87Å; Q1044-R1046 VanDerWaalsContact O-N 3.16Å; R1046-H1048 PolarHBondContact O-N 3Å; R1046-E1049 PolarHBondContact O-N 2.72Å; R1046-I1050 WeakPolarHBondContact O-CG1 3.48Å; R1046-I1050 PolarHBondContact O-N 3.26Å |
| 1047 | A | 48.4 | Very low | 58.7 | Low | 35 Ų | 35 | 67.5 Ų | 67.5 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.7 | -37.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A943 Y1043 Q1044 V1051 | A943-A1047 HydrophobicContact CB-CB 4.42Å; Y1043-A1047 PolarHBondContact O-N 3.02Å; Q1044-A1047 PolarHBondContact O-N 3.34Å; A1047-V1051 VanDerWaalsContact O-CG2 3.27Å; A1047-V1051 WeakPolarHBondContact O-CG2 3.38Å; A1047-V1051 PolarHBondContact O-N 3.03Å |
| 1048 | H | 41.5 | Very low | 55.9 | Low | 130 Ų | 130 | 70.6 Ų | 70.6 | 60% | 0.602 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.6 | -38.7 | 171.8 | -74.7 | -64.8 | 0 | 0 | 0 | 113.7 | R1046 S1052 | R1046-H1048 PolarHBondContact O-N 3Å; H1048-S1052 WeakPolarHBondContact O-CB 3.25Å; H1048-S1052 PolarHBondContact O-N 2.97Å; H1048-S1052 PolarHBondContact O-OG 3.09Å |
| 1049 | E | 43.1 | Very low | 53 | Low | 95 Ų | 95 | 70.1 Ų | 70.1 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.8 | -73 | -176.4 | 165 | 0 | 0 | 111.9 | R1046 V1051 S1052 V1053 | R1046-E1049 PolarHBondContact O-N 2.72Å; E1049-V1051 VanDerWaalsContact C-N 3.35Å; E1049-V1051 PolarHBondContact O-N 2.85Å; E1049-S1052 WeakPolarHBondContact CA-OG 3.49Å; E1049-S1052 PolarHBondContact O-N 2.84Å; E1049-S1052 VanDerWaalsContact O-N 3.16Å; E1049-S1052 PolarHBondContact O-OG 2.91Å; E1049-V1053 VanDerWaalsContact O-CG2 3.31Å; E1049-V1053 WeakPolarHBondContact O-CG2 3.31Å; E1049-V1053 PolarHBondContact O-N 3.31Å |
| 1050 | I | 39.9 | Very low | 50.6 | Low | 75 Ų | 75 | 75.4 Ų | 75.4 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | -179.8 | -63.5 | 166.5 | 0 | 0 | 0 | 110.9 | R1046 V1053 H1054 | R1046-I1050 WeakPolarHBondContact O-CG1 3.48Å; R1046-I1050 PolarHBondContact O-N 3.26Å; I1050-V1053 PolarHBondContact O-N 3.45Å; I1050-H1054 PolarHBondContact O-N 3.41Å |
| 1051 | V | 36.3 | Very low | 48.8 | Very low | 83 Ų | 83 | 79.1 Ų | 79.1 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | A1047 E1049 V1053 H1054 N1055 | A1047-V1051 VanDerWaalsContact O-CG2 3.27Å; A1047-V1051 WeakPolarHBondContact O-CG2 3.38Å; A1047-V1051 PolarHBondContact O-N 3.03Å; E1049-V1051 VanDerWaalsContact C-N 3.35Å; E1049-V1051 PolarHBondContact O-N 2.85Å; V1051-V1053 VanDerWaalsContact C-N 3.35Å; V1051-V1053 PolarHBondContact O-N 2.65Å; V1051-H1054 PolarHBondContact O-N 3.44Å; V1051-N1055 WeakPolarHBondContact O-CB 3.49Å; V1051-N1055 PolarHBondContact O-N 3.05Å |
| 1052 | S | 35.3 | Very low | 46.8 | Very low | 66 Ų | 66 | 81.3 Ų | 81.3 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 176.8 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | H1048 E1049 N1055 S1056 | H1048-S1052 WeakPolarHBondContact O-CB 3.25Å; H1048-S1052 PolarHBondContact O-N 2.97Å; H1048-S1052 PolarHBondContact O-OG 3.09Å; E1049-S1052 WeakPolarHBondContact CA-OG 3.49Å; E1049-S1052 PolarHBondContact O-N 2.84Å; E1049-S1052 VanDerWaalsContact O-N 3.16Å; E1049-S1052 PolarHBondContact O-OG 2.91Å; S1052-N1055 PolarHBondContact O-N 3.05Å; S1052-S1056 PolarHBondContact O-N 3.19Å; S1052-S1056 PolarHBondContact O-OG 3.15Å |
| 1053 | V | 39 | Very low | 44.8 | Very low | 79 Ų | 79 | 85.1 Ų | 85.1 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.3 | -33.2 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | E1049 I1050 V1051 S1056 N1057 | E1049-V1053 VanDerWaalsContact O-CG2 3.31Å; E1049-V1053 WeakPolarHBondContact O-CG2 3.31Å; E1049-V1053 PolarHBondContact O-N 3.31Å; I1050-V1053 PolarHBondContact O-N 3.45Å; V1051-V1053 VanDerWaalsContact C-N 3.35Å; V1051-V1053 PolarHBondContact O-N 2.65Å; V1053-S1056 WeakPolarHBondContact CA-OG 3.13Å; V1053-S1056 PolarHBondContact O-OG 3.27Å; V1053-S1056 VanDerWaalsContact O-OG 3.05Å; V1053-N1057 PolarHBondContact O-N 2.65Å |
| 1054 | H | 34.8 | Very low | 42.6 | Very low | 133 Ų | 133 | 89.9 Ų | 89.9 | 62% | 0.616 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.7 | -34.4 | 172.6 | -88.4 | -6.7 | 0 | 0 | 0 | 113.2 | I1050 V1051 N1057 S1058 | I1050-H1054 PolarHBondContact O-N 3.41Å; V1051-H1054 PolarHBondContact O-N 3.44Å; H1054-N1057 PolarHBondContact O-N 3.05Å; H1054-S1058 PolarHBondContact O-N 3.18Å; H1054-S1058 PolarHBondContact O-OG 3.12Å |
| 1055 | N | 37.8 | Very low | 40.8 | Very low | 110 Ų | 110 | 90.6 Ų | 90.6 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -75.4 | -26.4 | 174.7 | -75.1 | -10.9 | 0 | 0 | 0 | 113.3 | V1051 S1052 N1057 S1058 | V1051-N1055 WeakPolarHBondContact O-CB 3.49Å; V1051-N1055 PolarHBondContact O-N 3.05Å; S1052-N1055 PolarHBondContact O-N 3.05Å; N1055-N1057 VanDerWaalsContact C-N 3.31Å; N1055-S1058 PolarHBondContact O-OG 2.98Å |
| 1056 | S | 43.9 | Very low | 39.5 | Very low | 70 Ų | 70 | 92.9 Ų | 92.9 | 49% | 0.49 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.7 | -20.5 | 171.1 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | S1052 V1053 S1059 | S1052-S1056 PolarHBondContact O-N 3.19Å; S1052-S1056 PolarHBondContact O-OG 3.15Å; V1053-S1056 WeakPolarHBondContact CA-OG 3.13Å; V1053-S1056 PolarHBondContact O-OG 3.27Å; V1053-S1056 VanDerWaalsContact O-OG 3.05Å; S1056-S1059 PolarHBondContact O-OG 3.35Å |
| 1057 | N | 41.6 | Very low | 38.6 | Very low | 124 Ų | 124 | 98 Ų | 98 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 1.6 | 177.9 | -72.6 | -3.7 | 0 | 0 | 0 | 113.5 | V1053 H1054 N1055 | V1053-N1057 PolarHBondContact O-N 2.65Å; H1054-N1057 PolarHBondContact O-N 3.05Å; N1055-N1057 VanDerWaalsContact C-N 3.31Å |
| 1058 | S | 32.7 | Very low | 37.8 | Very low | 84 Ų | 84 | 102.8 Ų | 102.8 | 59% | 0.587 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -110.2 | 13 | 177.1 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | H1054 N1055 | H1054-S1058 PolarHBondContact O-N 3.18Å; H1054-S1058 PolarHBondContact O-OG 3.12Å; N1055-S1058 PolarHBondContact O-OG 2.98Å |
| 1059 | S | 29.2 | Very low | 37.5 | Very low | 86 Ų | 86 | 100.6 Ų | 100.6 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | trans | -90.7 | 113 | 154.3 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | S1056 | S1056-S1059 PolarHBondContact O-OG 3.35Š| ||
| 1060 | P | 36.6 | Very low | 37 | Very low | 202 Ų | 202 | 101.1 Ų | 101.1 | 100% | 1.312 | 61% | 0.608 | S | S | * | * | trans | -64 | 0 | -176.7 | 27.4 | -33.9 | 0 | 0 | 0 | 113.3 |
Retrieved 1,060 of 1,060 residues in 1237.7 ms
(Link to these results)