| 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 | D | 45.8 | Very low | 80.2 | Confident | 205 Ų | 205 | 65.2 Ų | 65.2 | 100% | 1.096 | 39% | 0.391 | S | S | * | . | 0 | -2.3 | 0 | -63.7 | 15.4 | 0 | 0 | 0 | 116 | K3 | D1-K3 PolarHBondContact O-N 2.86Å; D1-K3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | G | 66.3 | Low | 80.7 | Confident | 67 Ų | 67 | 65 Ų | 65 | 69% | 0.691 | 39% | 0.387 | S | S | * | . | trans | 63.7 | 24.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | M18 | G2-M18 WeakPolarHBondContact O-CE 3.24Š| ||
| 3 | K | 69.4 | Low | 81.5 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | trans | -90.7 | 146.9 | 169.8 | -81.5 | -177.8 | 166.1 | -92.9 | 0 | 110.8 | D1 D51 | D1-K3 PolarHBondContact O-N 2.86Å; D1-K3 VanDerWaalsContact O-N 3.16Å; K3-D51 IonicContact NZ-OD1 3.83Å; K3-D51 PolarHBondContact NZ-OD1 2.72Å; K3-D51 IonicContact NZ-OD2 3.71Å; K3-D51 PolarHBondContact NZ-OD2 2.81Å | ||
| 4 | P | 80.6 | Confident | 82.2 | Confident | 29 Ų | 29 | 57 Ų | 57 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | trans | -68.7 | 148 | 174 | 29.9 | -34.7 | 0 | 0 | 0 | 111.5 | G17 M18 L32 A49 | P4-G17 WeakPolarHBondContact CA-O 3.05Å; P4-M18 HydrophobicContact CB-SD 4.34Å; P4-L32 HydrophobicContact CB-CD1 4.45Å; P4-A49 HydrophobicContact CB-CB 4.46Å; P4-A49 HydrophobicContact CG-CB 4.33Å; P4-A49 PolarHBondContact O-N 2.8Å | ||
| 5 | V | 87.1 | Confident | 82.8 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.9 | 173.4 | -66 | 0 | 0 | 0 | 0 | 110.6 | L16 G17 I19 I29 V46 F47 | V5-L16 WeakPolarHBondContact O-CA 3.27Å; V5-G17 WeakPolarHBondContact CG2-O 3.09Å; V5-G17 PolarHBondContact N-O 3.15Å; V5-G17 PolarHBondContact O-N 2.86Å; V5-I19 HydrophobicContact CG1-CD1 4.06Å; V5-I19 HydrophobicContact CG1-CG1 4.33Å; V5-I19 HydrophobicContact CG2-CD1 4.45Å; V5-I19 HydrophobicContact CG2-CG1 3.9Å; V5-I29 HydrophobicContact CG2-CD1 4.09Å; V5-V46 HydrophobicContact CB-CG1 3.85Å; V5-V46 HydrophobicContact CG1-CG1 4.33Å; V5-V46 HydrophobicContact CG2-CG1 3.78Å; V5-F47 CarbonylContact C-O 3.56Å; V5-F47 WeakPolarHBondContact CA-O 3.16Å; V5-F47 WeakPolarHBondContact CB-O 3.5Å |
| 6 | W | 90.3 | Very high | 83.4 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.9 | 164.5 | -67.4 | 110.8 | 0 | 0 | 0 | 109.5 | F14 Q15 L16 V46 F47 A49 V53 A69 N73 | W6-F14 HydrophobicContact CB-CB 4.35Å; W6-F14 HydrophobicContact CB-CD1 4.36Å; W6-F14 HydrophobicContact CE3-CB 3.93Å; W6-Q15 WeakPolarHBondContact CA-O 3.14Å; W6-L16 HydrophobicContact CD2-CD2 3.66Å; W6-L16 HydrophobicContact CD2-CG 4.44Å; W6-L16 HydrophobicContact CE3-CD2 3.69Å; W6-L16 HydrophobicContact CE3-CG 3.97Å; W6-L16 HydrophobicContact CG-CD2 4.35Å; W6-L16 HydrophobicContact CH2-CD1 4.31Å; W6-L16 HydrophobicContact CH2-CD2 3.8Å; W6-L16 HydrophobicContact CH2-CG 3.82Å; W6-L16 HydrophobicContact CZ2-CD2 3.78Å; W6-L16 HydrophobicContact CZ2-CG 4.3Å; W6-L16 HydrophobicContact CZ3-CD2 3.77Å; W6-L16 HydrophobicContact CZ3-CG 3.64Å; W6-V46 WeakPolarHBondContact O-CA 3.17Å; W6-F47 HydrophobicContact CB-CB 4.31Å; W6-F47 PolarHBondContact N-O 3.19Å; W6-F47 PolarHBondContact O-N 3.48Å; W6-A49 HydrophobicContact CG-CB 4.4Å; W6-V53 HydrophobicContact CH2-CG1 4.14Å; W6-V53 HydrophobicContact CZ2-CG1 4.19Å; W6-A69 HydrophobicContact CB-CB 3.38Å; W6-A69 HydrophobicContact CD2-CB 3.95Å; W6-A69 HydrophobicContact CG-CB 3.37Å; W6-N73 HydrophobicContact CH2-CB 3.89Å; W6-N73 VanDerWaalsContact CH2-CG 3.48Å; W6-N73 WeakPolarHBondContact CH2-OD1 3.38Å; W6-N73 HydrophobicContact CZ2-CB 3.66Å; W6-N73 VanDerWaalsContact CZ2-CG 3.46Å |
| 7 | A | 91.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | F14 Q15 I29 F39 | A7-F14 WeakPolarHBondContact O-CA 3.46Å; A7-Q15 PolarHBondContact N-O 2.79Å; A7-Q15 PolarHBondContact O-N 3Å; A7-I29 HydrophobicContact CB-CD1 3.63Å; A7-I29 HydrophobicContact CB-CG2 3.98Å; A7-F39 HydrophobicContact CB-CE1 4.42Å; A7-F39 HydrophobicContact CB-CZ 3.68Å |
| 8 | P | 91.6 | Very high | 84.1 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 20% | 0.195 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 140.6 | -171.6 | 25.5 | -33.8 | 0 | 0 | 0 | 111.8 | G13 A41 Q45 | P8-G13 WeakPolarHBondContact CA-O 2.94Å; P8-A41 HydrophobicContact CG-CB 4.11Å; P8-Q45 HydrophobicContact CG-CB 4.2Å |
| 9 | H | 89.1 | Confident | 84.3 | Confident | 48 Ų | 48 | 51 Ų | 51 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.4 | 177.2 | -169.2 | -122.9 | 0 | 0 | 0 | 111.4 | T11 D12 G13 Q15 | H9-T11 VanDerWaalsContact C-N 3.27Å; H9-T11 PolarHBondContact O-N 3.3Å; H9-T11 VanDerWaalsContact O-N 3.11Å; H9-D12 HydrophobicContact CB-CB 4.43Å; H9-D12 IonicContact CE1-OD2 3.42Å; H9-D12 PolarHBondContact CE1-OD2 2.68Å; H9-D12 IonicContact CG-OD2 3.26Å; H9-D12 IonicContact ND1-OD2 2.74Å; H9-D12 PolarHBondContact ND1-OD2 3.22Å; H9-G13 PolarHBondContact N-O 2.96Å; H9-G13 CarbonylContact O-C 3.48Å; H9-G13 VanDerWaalsContact O-CA 3.32Å; H9-G13 WeakPolarHBondContact O-CA 3.43Å; H9-G13 PolarHBondContact O-N 2.75Å; H9-Q15 HydrophobicContact CB-CB 4.02Å; H9-Q15 HydrophobicContact CB-CG 3.96Å |
| 10 | P | 84.9 | Confident | 84.6 | Confident | 117 Ų | 117 | 52.7 Ų | 52.7 | 76% | 0.76 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.3 | -171.9 | -28.9 | 36.7 | 0 | 0 | 0 | 116.3 | A682 | P10-A682 WeakPolarHBondContact O-CB 3.11Š|
| 11 | T | 85.3 | Confident | 84.8 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -45.9 | -177.6 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | H9 G681 A682 | H9-T11 VanDerWaalsContact C-N 3.27Å; H9-T11 PolarHBondContact O-N 3.3Å; H9-T11 VanDerWaalsContact O-N 3.11Å; T11-G681 PolarHBondContact O-N 2.94Å; T11-A682 WeakPolarHBondContact O-CB 3.41Å; T11-A682 PolarHBondContact O-N 2.7Å |
| 12 | D | 87.3 | Confident | 86.9 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -3.3 | -173.3 | -60.9 | -73.9 | 0 | 0 | 0 | 113.8 | H9 F14 L72 R76 G681 | H9-D12 HydrophobicContact CB-CB 4.43Å; H9-D12 IonicContact CE1-OD2 3.42Å; H9-D12 PolarHBondContact CE1-OD2 2.68Å; H9-D12 IonicContact CG-OD2 3.26Å; H9-D12 IonicContact ND1-OD2 2.74Å; H9-D12 PolarHBondContact ND1-OD2 3.22Å; D12-F14 PolarHBondContact O-N 3.02Å; D12-L72 WeakPolarHBondContact O-CD2 3.2Å; D12-R76 PolarHBondContact O-NH2 3.11Å; D12-G681 CarbonylContact O-C 3.59Å; D12-G681 WeakPolarHBondContact O-CA 3.15Å |
| 13 | G | 90.1 | Very high | 87.9 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.9 | -60.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111 | P8 H9 | P8-G13 WeakPolarHBondContact CA-O 2.94Å; H9-G13 PolarHBondContact N-O 2.96Å; H9-G13 CarbonylContact O-C 3.48Å; H9-G13 VanDerWaalsContact O-CA 3.32Å; H9-G13 WeakPolarHBondContact O-CA 3.43Å; H9-G13 PolarHBondContact O-N 2.75Å |
| 14 | F | 92.1 | Very high | 88.6 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.3 | 174.3 | -64.8 | -79.9 | 0 | 0 | 0 | 112.3 | W6 A7 D12 F47 E68 A69 L72 R76 L685 | W6-F14 HydrophobicContact CB-CB 4.35Å; W6-F14 HydrophobicContact CB-CD1 4.36Å; W6-F14 HydrophobicContact CE3-CB 3.93Å; A7-F14 WeakPolarHBondContact O-CA 3.46Å; D12-F14 PolarHBondContact O-N 3.02Å; F14-F47 HydrophobicContact CD1-CD2 4.47Å; F14-F47 AromaticContact CE1-CD2 3.73Å; F14-F47 HydrophobicContact CE1-CD2 3.73Å; F14-F47 AromaticContact CE1-CE2 3.69Å; F14-F47 HydrophobicContact CE1-CE2 3.69Å; F14-F47 AromaticContact CZ-CD2 3.95Å; F14-F47 HydrophobicContact CZ-CD2 3.95Å; F14-F47 AromaticContact CZ-CE2 3.62Å; F14-F47 HydrophobicContact CZ-CE2 3.62Å; F14-E68 HydrophobicContact CE2-CB 3.93Å; F14-E68 HydrophobicContact CZ-CB 4.27Å; F14-A69 HydrophobicContact CB-CB 3.9Å; F14-A69 HydrophobicContact CD1-CB 3.93Å; F14-A69 HydrophobicContact CD2-CB 3.46Å; F14-A69 VanDerWaalsContact CD2-CB 3.46Å; F14-A69 HydrophobicContact CE1-CB 4.33Å; F14-A69 HydrophobicContact CE2-CB 3.88Å; F14-A69 HydrophobicContact CG-CB 3.48Å; F14-A69 VanDerWaalsContact CG-CB 3.48Å; F14-A69 HydrophobicContact CZ-CB 4.32Å; F14-L72 HydrophobicContact CD2-CD2 4.01Å; F14-R76 PolarHBondContact O-NH2 2.75Å; F14-L685 HydrophobicContact CD2-CD1 4.49Å; F14-L685 HydrophobicContact CD2-CD2 3.89Å; F14-L685 HydrophobicContact CE2-CD1 3.8Å; F14-L685 HydrophobicContact CE2-CD2 3.42Å; F14-L685 VanDerWaalsContact CE2-CD2 3.42Å; F14-L685 HydrophobicContact CE2-CG 4.27Å; F14-L685 HydrophobicContact CZ-CD2 4.13Å |
| 15 | Q | 91.5 | Very high | 88.9 | Confident | 23 Ų | 23 | 54 Ų | 54 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 160.6 | 170.5 | 67.5 | -178.1 | -25.8 | 0 | 0 | 110.5 | W6 A7 H9 | W6-Q15 WeakPolarHBondContact CA-O 3.14Å; A7-Q15 PolarHBondContact N-O 2.79Å; A7-Q15 PolarHBondContact O-N 3Å; H9-Q15 HydrophobicContact CB-CB 4.02Å; H9-Q15 HydrophobicContact CB-CG 3.96Å |
| 16 | L | 90.9 | Very high | 89.1 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 139 | 173 | -68.6 | 171.6 | 0 | 0 | 0 | 111.6 | V5 W6 P31 L32 A49 V53 | V5-L16 WeakPolarHBondContact O-CA 3.27Å; W6-L16 HydrophobicContact CD2-CD2 3.66Å; W6-L16 HydrophobicContact CD2-CG 4.44Å; W6-L16 HydrophobicContact CE3-CD2 3.69Å; W6-L16 HydrophobicContact CE3-CG 3.97Å; W6-L16 HydrophobicContact CG-CD2 4.35Å; W6-L16 HydrophobicContact CH2-CD1 4.31Å; W6-L16 HydrophobicContact CH2-CD2 3.8Å; W6-L16 HydrophobicContact CH2-CG 3.82Å; W6-L16 HydrophobicContact CZ2-CD2 3.78Å; W6-L16 HydrophobicContact CZ2-CG 4.3Å; W6-L16 HydrophobicContact CZ3-CD2 3.77Å; W6-L16 HydrophobicContact CZ3-CG 3.64Å; L16-P31 WeakPolarHBondContact O-CA 3.37Å; L16-L32 HydrophobicContact CB-CD1 3.73Å; L16-L32 HydrophobicContact CB-CG 4.13Å; L16-L32 HydrophobicContact CD1-CD1 4.14Å; L16-L32 PolarHBondContact O-N 3.45Å; L16-A49 HydrophobicContact CD2-CB 3.79Å; L16-V53 HydrophobicContact CD1-CB 4.41Å; L16-V53 HydrophobicContact CD1-CG1 3.9Å; L16-V53 HydrophobicContact CD1-CG2 3.7Å |
| 17 | G | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | -179.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P4 V5 E30 | P4-G17 WeakPolarHBondContact CA-O 3.05Å; V5-G17 WeakPolarHBondContact CG2-O 3.09Å; V5-G17 PolarHBondContact N-O 3.15Å; V5-G17 PolarHBondContact O-N 2.86Å; G17-E30 CarbonylContact C-O 3.58Å; G17-E30 WeakPolarHBondContact CA-O 3.41Å |
| 18 | M | 89.1 | Confident | 89.1 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.1 | 177.4 | -57.5 | -62.1 | -68.2 | 0 | 0 | 108.8 | G2 P4 V20 I29 E30 L32 | G2-M18 WeakPolarHBondContact O-CE 3.24Å; P4-M18 HydrophobicContact CB-SD 4.34Å; M18-V20 PolarHBondContact O-N 3.26Å; M18-I29 VanDerWaalsContact O-CA 3.31Å; M18-I29 WeakPolarHBondContact O-CA 3.04Å; M18-E30 PolarHBondContact N-O 2.75Å; M18-E30 PolarHBondContact O-N 3.02Å; M18-L32 HydrophobicContact CG-CD2 3.65Å; M18-L32 HydrophobicContact SD-CD2 3.87Å |
| 19 | I | 88.9 | Confident | 89.1 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 36% | 0.359 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.2 | 170.1 | -58.1 | 170.1 | 0 | 0 | 0 | 107.8 | V5 I22 L27 I29 | V5-I19 HydrophobicContact CG1-CD1 4.06Å; V5-I19 HydrophobicContact CG1-CG1 4.33Å; V5-I19 HydrophobicContact CG2-CD1 4.45Å; V5-I19 HydrophobicContact CG2-CG1 3.9Å; I19-I22 HydrophobicContact CG2-CD1 4.41Å; I19-I22 HydrophobicContact CG2-CG1 3.83Å; I19-L27 HydrophobicContact CD1-CD1 3.94Å; I19-L27 HydrophobicContact CG1-CD1 4.39Å; I19-I29 HydrophobicContact CG1-CG1 4.47Å |
| 20 | V | 90.3 | Very high | 89.2 | Confident | 84 Ų | 84 | 54.7 Ų | 54.7 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -37.7 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | M18 T28 E30 T38 | M18-V20 PolarHBondContact O-N 3.26Å; V20-T28 HydrophobicContact CB-CG2 4.47Å; V20-T28 PolarHBondContact N-O 2.76Å; V20-E30 HydrophobicContact CG2-CB 3.72Å; V20-T38 HydrophobicContact CG2-CG2 4.26Å |
| 21 | D | 88.4 | Confident | 89.5 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 157.1 | -177.9 | 177.9 | 40.9 | 0 | 0 | 0 | 111.1 | T28 | D21-T28 PolarHBondContact N-O 3.11Å; D21-T28 PolarHBondContact O-N 3.16Å |
| 22 | I | 89.6 | Confident | 89.5 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 60% | 0.595 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 103.1 | -170.4 | -56.5 | -177.9 | 0 | 0 | 0 | 109.3 | I19 L27 | I19-I22 HydrophobicContact CG2-CD1 4.41Å; I19-I22 HydrophobicContact CG2-CG1 3.83Å; I22-L27 HydrophobicContact CB-CD2 4.18Å; I22-L27 HydrophobicContact CG1-CD2 4.05Å; I22-L27 HydrophobicContact CG2-CD2 3.79Å |
| 23 | G | 87.4 | Confident | 89.3 | Confident | 37 Ų | 37 | 52 Ų | 52 | 38% | 0.381 | 30% | 0.303 | S | S | . | . | trans | -85.2 | -176.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.5 | A26 | G23-A26 VanDerWaalsContact CA-O 3.31Å; G23-A26 WeakPolarHBondContact CA-O 3Å; G23-A26 PolarHBondContact N-O 3.08Å | ||
| 24 | A | 83.8 | Confident | 89 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 79% | 0.785 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -64.3 | -52.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 25 | D | 87.6 | Confident | 88.2 | Confident | 139 Ų | 139 | 63.5 Ų | 63.5 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -110.7 | -7.8 | -177.6 | -56.9 | -61.7 | 0 | 0 | 0 | 113.6 | M43 | D25-M43 PolarHBondContact O-N 3.19Š|
| 26 | A | 90.8 | Very high | 87.5 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 147.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G23 L40 A41 | G23-A26 VanDerWaalsContact CA-O 3.31Å; G23-A26 WeakPolarHBondContact CA-O 3Å; G23-A26 PolarHBondContact N-O 3.08Å; A26-L40 HydrophobicContact CB-CD2 4.5Å; A26-A41 CarbonylContact C-O 3.58Å; A26-A41 WeakPolarHBondContact CA-O 3.46Å |
| 27 | L | 90.6 | Very high | 87.3 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.042 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.5 | 179.6 | -56.5 | 178.1 | 0 | 0 | 0 | 109.8 | I19 I22 I29 L40 A41 M43 V46 | I19-L27 HydrophobicContact CD1-CD1 3.94Å; I19-L27 HydrophobicContact CG1-CD1 4.39Å; I22-L27 HydrophobicContact CB-CD2 4.18Å; I22-L27 HydrophobicContact CG1-CD2 4.05Å; I22-L27 HydrophobicContact CG2-CD2 3.79Å; L27-I29 HydrophobicContact CB-CD1 4.3Å; L27-I29 HydrophobicContact CB-CG1 4.19Å; L27-L40 WeakPolarHBondContact O-CA 3.49Å; L27-A41 PolarHBondContact N-O 3.32Å; L27-A41 PolarHBondContact O-N 2.96Å; L27-M43 HydrophobicContact CD1-CG 4.17Å; L27-M43 HydrophobicContact CD2-CG 4.42Å; L27-M43 HydrophobicContact CG-CB 4.33Å; L27-M43 HydrophobicContact CG-CG 4.24Å; L27-V46 HydrophobicContact CD1-CB 3.93Å; L27-V46 HydrophobicContact CD1-CG1 3.88Å; L27-V46 HydrophobicContact CD1-CG2 4.1Å |
| 28 | T | 91.7 | Very high | 87.2 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 15% | 0.147 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 116.9 | 172.8 | -58.4 | 0 | 0 | 0 | 0 | 108.6 | V20 D21 T38 L40 | V20-T28 HydrophobicContact CB-CG2 4.47Å; V20-T28 PolarHBondContact N-O 2.76Å; D21-T28 PolarHBondContact N-O 3.11Å; D21-T28 PolarHBondContact O-N 3.16Å; T28-T38 HydrophobicContact CG2-CG2 3.91Å; T28-L40 WeakPolarHBondContact OG1-CD2 3.43Å |
| 29 | I | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.5 | -171.7 | -60.7 | -175.7 | 0 | 0 | 0 | 111.3 | V5 A7 M18 I19 L27 T38 F39 A41 V46 | V5-I29 HydrophobicContact CG2-CD1 4.09Å; A7-I29 HydrophobicContact CB-CD1 3.63Å; A7-I29 HydrophobicContact CB-CG2 3.98Å; M18-I29 VanDerWaalsContact O-CA 3.31Å; M18-I29 WeakPolarHBondContact O-CA 3.04Å; I19-I29 HydrophobicContact CG1-CG1 4.47Å; L27-I29 HydrophobicContact CB-CD1 4.3Å; L27-I29 HydrophobicContact CB-CG1 4.19Å; I29-T38 CarbonylContact O-C 3.38Å; I29-T38 WeakPolarHBondContact O-CA 3.41Å; I29-F39 HydrophobicContact CB-CD1 4.41Å; I29-F39 HydrophobicContact CB-CE1 4.01Å; I29-F39 HydrophobicContact CB-CZ 4.44Å; I29-F39 HydrophobicContact CG2-CE1 3.94Å; I29-F39 HydrophobicContact CG2-CZ 4.44Å; I29-F39 PolarHBondContact N-O 3.5Å; I29-F39 VanDerWaalsContact O-CD1 3.26Å; I29-F39 WeakPolarHBondContact O-CD1 3.28Å; I29-F39 PolarHBondContact O-N 2.85Å; I29-A41 HydrophobicContact CD1-CB 3.97Å; I29-V46 HydrophobicContact CD1-CB 4.32Å; I29-V46 HydrophobicContact CD1-CG1 3.73Å; I29-V46 HydrophobicContact CD1-CG2 3.55Å |
| 30 | E | 92 | Very high | 87.4 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118 | 169.6 | -178.9 | -178.1 | -162.5 | 0 | 0 | 109.5 | G17 M18 V20 K35 G36 T38 | G17-E30 CarbonylContact C-O 3.58Å; G17-E30 WeakPolarHBondContact CA-O 3.41Å; M18-E30 PolarHBondContact N-O 2.75Å; M18-E30 PolarHBondContact O-N 3.02Å; V20-E30 HydrophobicContact CG2-CB 3.72Å; E30-K35 WeakPolarHBondContact OE1-CA 3.14Å; E30-G36 PolarHBondContact OE1-N 3.38Å; E30-T38 HydrophobicContact CB-CG2 4.29Å |
| 31 | P | 90.9 | Very high | 87.4 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 4% | 0.039 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 136 | 176.4 | -15.4 | 28.8 | 0 | 0 | 0 | 111.6 | L16 N33 Q34 K37 F39 | L16-P31 WeakPolarHBondContact O-CA 3.37Å; P31-N33 PolarHBondContact O-N 3.27Å; P31-N33 VanDerWaalsContact O-N 3.08Å; P31-Q34 HydrophobicContact CB-CB 4.35Å; P31-Q34 HydrophobicContact CG-CB 4.45Å; P31-Q34 CarbonylContact O-C 3.54Å; P31-Q34 PolarHBondContact O-N 3.31Å; P31-K37 WeakPolarHBondContact CD-O 3.42Å; P31-F39 HydrophobicContact CG-CD1 4.08Å; P31-F39 HydrophobicContact CG-CE1 3.91Å |
| 32 | L | 85.9 | Confident | 87.5 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 37% | 0.366 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.6 | 177.5 | -66.7 | -176.9 | 0 | 0 | 0 | 112.6 | P4 L16 M18 | P4-L32 HydrophobicContact CB-CD1 4.45Å; L16-L32 HydrophobicContact CB-CD1 3.73Å; L16-L32 HydrophobicContact CB-CG 4.13Å; L16-L32 HydrophobicContact CD1-CD1 4.14Å; L16-L32 PolarHBondContact O-N 3.45Å; M18-L32 HydrophobicContact CG-CD2 3.65Å; M18-L32 HydrophobicContact SD-CD2 3.87Å |
| 33 | N | 82.4 | Confident | 87.3 | Confident | 140 Ų | 140 | 71.2 Ų | 71.2 | 75% | 0.749 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.2 | -179.2 | -61.9 | 0.4 | 0 | 0 | 0 | 113.6 | P31 | P31-N33 PolarHBondContact O-N 3.27Å; P31-N33 VanDerWaalsContact O-N 3.08Å |
| 34 | Q | 83.1 | Confident | 87.2 | Confident | 86 Ų | 86 | 75.6 Ų | 75.6 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -140.8 | 62.7 | -175.5 | -69.3 | -167.9 | 66.5 | 0 | 0 | 111.2 | P31 K37 | P31-Q34 HydrophobicContact CB-CB 4.35Å; P31-Q34 HydrophobicContact CG-CB 4.45Å; P31-Q34 CarbonylContact O-C 3.54Å; P31-Q34 PolarHBondContact O-N 3.31Å; Q34-K37 HydrophobicContact CB-CD 4.41Å; Q34-K37 PolarHBondContact O-N 3.05Å |
| 35 | K | 76.4 | Confident | 87.3 | Confident | 175 Ų | 175 | 75.3 Ų | 75.3 | 76% | 0.761 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 140.7 | 176.6 | -64.3 | -172.6 | 177.6 | -174.3 | 0 | 112.2 | E30 K37 | E30-K35 WeakPolarHBondContact OE1-CA 3.14Å; K35-K37 VanDerWaalsContact C-N 3.32Å |
| 36 | G | 76.3 | Confident | 87.3 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 74% | 0.742 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E30 | E30-G36 PolarHBondContact OE1-N 3.38Š|
| 37 | K | 86 | Confident | 87 | Confident | 126 Ų | 126 | 70.5 Ų | 70.5 | 55% | 0.548 | 37% | 0.372 | S | S | . | . | trans | -113.3 | 118.4 | 170.1 | -69.9 | -177.9 | -174.8 | 173 | 0 | 110.4 | P31 Q34 K35 | P31-K37 WeakPolarHBondContact CD-O 3.42Å; Q34-K37 HydrophobicContact CB-CD 4.41Å; Q34-K37 PolarHBondContact O-N 3.05Å; K35-K37 VanDerWaalsContact C-N 3.32Å | ||
| 38 | T | 89.1 | Confident | 86.5 | Confident | 87 Ų | 87 | 72.8 Ų | 72.8 | 53% | 0.534 | 39% | 0.387 | S | S | . | . | trans | -99.3 | 151 | 171.6 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | V20 T28 I29 E30 | V20-T38 HydrophobicContact CG2-CG2 4.26Å; T28-T38 HydrophobicContact CG2-CG2 3.91Å; I29-T38 CarbonylContact O-C 3.38Å; I29-T38 WeakPolarHBondContact O-CA 3.41Å; E30-T38 HydrophobicContact CB-CG2 4.29Å | ||
| 39 | F | 90.8 | Very high | 85.8 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.4 | 167.6 | 75.2 | -73.1 | 0 | 0 | 0 | 110.4 | A7 I29 P31 A41 | A7-F39 HydrophobicContact CB-CE1 4.42Å; A7-F39 HydrophobicContact CB-CZ 3.68Å; I29-F39 HydrophobicContact CB-CD1 4.41Å; I29-F39 HydrophobicContact CB-CE1 4.01Å; I29-F39 HydrophobicContact CB-CZ 4.44Å; I29-F39 HydrophobicContact CG2-CE1 3.94Å; I29-F39 HydrophobicContact CG2-CZ 4.44Å; I29-F39 PolarHBondContact N-O 3.5Å; I29-F39 VanDerWaalsContact O-CD1 3.26Å; I29-F39 WeakPolarHBondContact O-CD1 3.28Å; I29-F39 PolarHBondContact O-N 2.85Å; P31-F39 HydrophobicContact CG-CD1 4.08Å; P31-F39 HydrophobicContact CG-CE1 3.91Å; F39-A41 HydrophobicContact CE2-CB 4.14Å |
| 40 | L | 91 | Very high | 84.6 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.5 | 176 | -70.9 | 167.2 | 0 | 0 | 0 | 110.2 | A26 L27 T28 | A26-L40 HydrophobicContact CB-CD2 4.5Å; L27-L40 WeakPolarHBondContact O-CA 3.49Å; T28-L40 WeakPolarHBondContact OG1-CD2 3.43Å |
| 41 | A | 90.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P8 A26 L27 I29 F39 M43 V46 | P8-A41 HydrophobicContact CG-CB 4.11Å; A26-A41 CarbonylContact C-O 3.58Å; A26-A41 WeakPolarHBondContact CA-O 3.46Å; L27-A41 PolarHBondContact N-O 3.32Å; L27-A41 PolarHBondContact O-N 2.96Å; I29-A41 HydrophobicContact CD1-CB 3.97Å; F39-A41 HydrophobicContact CE2-CB 4.14Å; A41-M43 PolarHBondContact O-N 3.38Å; A41-V46 HydrophobicContact CB-CG2 3.58Å |
| 42 | P | 90.9 | Very high | 82 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137.7 | 173.6 | -24.7 | 35.3 | 0 | 0 | 0 | 111.3 | N44 Q45 | P42-N44 VanDerWaalsContact CB-OD1 3.32Å; P42-N44 WeakPolarHBondContact CB-OD1 2.97Å; P42-N44 PolarHBondContact O-N 3.03Å; P42-N44 VanDerWaalsContact O-N 3.12Å; P42-Q45 HydrophobicContact CB-CB 4.47Å; P42-Q45 HydrophobicContact CB-CG 4.28Å; P42-Q45 PolarHBondContact O-N 3.07Å |
| 43 | M | 85.5 | Confident | 81.4 | Confident | 111 Ų | 111 | 77.7 Ų | 77.7 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -60.2 | -28.9 | -174.1 | -171.2 | 173.6 | -177.3 | 0 | 0 | 112.9 | D25 L27 A41 Q45 | D25-M43 PolarHBondContact O-N 3.19Å; L27-M43 HydrophobicContact CD1-CG 4.17Å; L27-M43 HydrophobicContact CD2-CG 4.42Å; L27-M43 HydrophobicContact CG-CB 4.33Å; L27-M43 HydrophobicContact CG-CG 4.24Å; A41-M43 PolarHBondContact O-N 3.38Å; M43-Q45 VanDerWaalsContact C-N 3.28Å; M43-Q45 PolarHBondContact O-N 2.67Å |
| 44 | N | 84.6 | Confident | 81.1 | Confident | 130 Ų | 130 | 76.6 Ų | 76.6 | 70% | 0.695 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -79.3 | 0.8 | 175.8 | 67.3 | -9.9 | 0 | 0 | 0 | 115.2 | P42 | P42-N44 VanDerWaalsContact CB-OD1 3.32Å; P42-N44 WeakPolarHBondContact CB-OD1 2.97Å; P42-N44 PolarHBondContact O-N 3.03Å; P42-N44 VanDerWaalsContact O-N 3.12Å |
| 45 | Q | 85.8 | Confident | 80.6 | Confident | 89 Ų | 89 | 76.9 Ų | 76.9 | 42% | 0.416 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -114.6 | 6.5 | 176.7 | -66 | 178.8 | 9 | 0 | 0 | 112.7 | P8 P42 M43 | P8-Q45 HydrophobicContact CG-CB 4.2Å; P42-Q45 HydrophobicContact CB-CB 4.47Å; P42-Q45 HydrophobicContact CB-CG 4.28Å; P42-Q45 PolarHBondContact O-N 3.07Å; M43-Q45 VanDerWaalsContact C-N 3.28Å; M43-Q45 PolarHBondContact O-N 2.67Å |
| 46 | V | 88.2 | Confident | 80.9 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.127 | 39% | 0.387 | C | S | . | . | trans | -112.3 | 123.3 | -177 | 179 | 0 | 0 | 0 | 0 | 109.1 | V5 W6 L27 I29 A41 | V5-V46 HydrophobicContact CB-CG1 3.85Å; V5-V46 HydrophobicContact CG1-CG1 4.33Å; V5-V46 HydrophobicContact CG2-CG1 3.78Å; W6-V46 WeakPolarHBondContact O-CA 3.17Å; L27-V46 HydrophobicContact CD1-CB 3.93Å; L27-V46 HydrophobicContact CD1-CG1 3.88Å; L27-V46 HydrophobicContact CD1-CG2 4.1Å; I29-V46 HydrophobicContact CD1-CB 4.32Å; I29-V46 HydrophobicContact CD1-CG1 3.73Å; I29-V46 HydrophobicContact CD1-CG2 3.55Å; A41-V46 HydrophobicContact CB-CG2 3.58Å | ||
| 47 | F | 86 | Confident | 80.9 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 20% | 0.202 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148 | -170.9 | -59 | -78 | 0 | 0 | 0 | 112 | V5 W6 F14 N67 A69 | V5-F47 CarbonylContact C-O 3.56Å; V5-F47 WeakPolarHBondContact CA-O 3.16Å; V5-F47 WeakPolarHBondContact CB-O 3.5Å; W6-F47 HydrophobicContact CB-CB 4.31Å; W6-F47 PolarHBondContact N-O 3.19Å; W6-F47 PolarHBondContact O-N 3.48Å; F14-F47 HydrophobicContact CD1-CD2 4.47Å; F14-F47 AromaticContact CE1-CD2 3.73Å; F14-F47 HydrophobicContact CE1-CD2 3.73Å; F14-F47 AromaticContact CE1-CE2 3.69Å; F14-F47 HydrophobicContact CE1-CE2 3.69Å; F14-F47 AromaticContact CZ-CD2 3.95Å; F14-F47 HydrophobicContact CZ-CD2 3.95Å; F14-F47 AromaticContact CZ-CE2 3.62Å; F14-F47 HydrophobicContact CZ-CE2 3.62Å; F47-N67 HydrophobicContact CB-CB 4.25Å; F47-N67 HydrophobicContact CD1-CB 3.76Å; F47-N67 HydrophobicContact CE1-CB 4.36Å; F47-N67 HydrophobicContact CG-CB 4.09Å; F47-A69 HydrophobicContact CD2-CB 4.33Å |
| 48 | P | 79.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 138.6 | 173.3 | 27.7 | -34.6 | 0 | 0 | 0 | 111.3 | Y65 N67 | P48-Y65 HydrophobicContact CB-CD1 4.06Å; P48-Y65 HydrophobicContact CB-CD2 4.1Å; P48-Y65 HydrophobicContact CB-CE1 4.06Å; P48-Y65 HydrophobicContact CB-CE2 4.1Å; P48-Y65 HydrophobicContact CB-CG 4.08Å; P48-Y65 HydrophobicContact CG-CD1 3.66Å; P48-Y65 HydrophobicContact CG-CD2 4.36Å; P48-Y65 HydrophobicContact CG-CE1 4.04Å; P48-Y65 HydrophobicContact CG-CG 3.83Å; P48-N67 PolarHBondContact O-ND2 3.33Å |
| 49 | A | 76.3 | Confident | 80.2 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 5% | 0.05 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 157.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P4 W6 L16 Y65 | P4-A49 HydrophobicContact CB-CB 4.46Å; P4-A49 HydrophobicContact CG-CB 4.33Å; P4-A49 PolarHBondContact O-N 2.8Å; W6-A49 HydrophobicContact CG-CB 4.4Å; L16-A49 HydrophobicContact CD2-CB 3.79Å; A49-Y65 VanDerWaalsContact O-CE2 3.3Å; A49-Y65 WeakPolarHBondContact O-CE2 3.26Å |
| 50 | E | 66.1 | Low | 79.8 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 150.7 | 167.8 | -66.7 | -162.9 | -159.3 | 0 | 0 | 110.8 | D52 K55 M64 Y65 | E50-D52 VanDerWaalsContact C-N 3.27Å; E50-D52 PolarHBondContact O-N 3.33Å; E50-K55 IonicContact OE2-NZ 2.8Å; E50-K55 PolarHBondContact OE2-NZ 3.08Å; E50-M64 HydrophobicContact CG-CB 4.04Å; E50-M64 WeakPolarHBondContact OE1-CB 3.19Å; E50-M64 PolarHBondContact OE1-N 2.84Å; E50-Y65 HydrophobicContact CG-CD2 4.08Å |
| 51 | D | 61.5 | Low | 78.9 | Confident | 108 Ų | 108 | 55.1 Ų | 55.1 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -66.6 | -26.3 | -178.9 | -63.5 | -50.3 | 0 | 0 | 0 | 112.8 | K3 | K3-D51 IonicContact NZ-OD1 3.83Å; K3-D51 PolarHBondContact NZ-OD1 2.72Å; K3-D51 IonicContact NZ-OD2 3.71Å; K3-D51 PolarHBondContact NZ-OD2 2.81Å |
| 52 | D | 67.6 | Low | 77.9 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | trans | -109 | 106.3 | 164.5 | 178.4 | 7.4 | 0 | 0 | 0 | 110.2 | E50 N54 K55 | E50-D52 VanDerWaalsContact C-N 3.27Å; E50-D52 PolarHBondContact O-N 3.33Å; D52-N54 PolarHBondContact OD1-N 3.4Å; D52-K55 HydrophobicContact CB-CB 4.26Å; D52-K55 PolarHBondContact OD1-N 3.06Å | ||
| 53 | V | 72.1 | Confident | 76.8 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -26 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | W6 L16 N73 I77 | W6-V53 HydrophobicContact CH2-CG1 4.14Å; W6-V53 HydrophobicContact CZ2-CG1 4.19Å; L16-V53 HydrophobicContact CD1-CB 4.41Å; L16-V53 HydrophobicContact CD1-CG1 3.9Å; L16-V53 HydrophobicContact CD1-CG2 3.7Å; V53-N73 PolarHBondContact O-ND2 2.95Å; V53-I77 WeakPolarHBondContact O-CD1 3.21Å |
| 54 | N | 76.6 | Confident | 75.9 | Confident | 118 Ų | 118 | 56.8 Ų | 56.8 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -10 | -173.2 | -67.6 | -59.1 | 0 | 0 | 0 | 113.6 | D52 | D52-N54 PolarHBondContact OD1-N 3.4Š|
| 55 | K | 72.8 | Confident | 75 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | trans | -60.7 | 139.6 | 170.6 | -178.5 | -177.6 | 163.6 | -153 | 0 | 110.9 | E50 D52 | E50-K55 IonicContact OE2-NZ 2.8Å; E50-K55 PolarHBondContact OE2-NZ 3.08Å; D52-K55 HydrophobicContact CB-CB 4.26Å; D52-K55 PolarHBondContact OD1-N 3.06Å | ||
| 56 | H | 81.8 | Confident | 74.5 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 27% | 0.269 | 27% | 0.268 | S | S | . | . | trans | -132.8 | 156.4 | 171 | 55.4 | 95.3 | 0 | 0 | 0 | 110.4 | N74 I77 R78 K81 | H56-N74 WeakPolarHBondContact CA-OD1 3.11Å; H56-N74 WeakPolarHBondContact CB-OD1 3.23Å; H56-I77 HydrophobicContact CB-CG2 4.08Å; H56-R78 HydrophobicContact CB-CG 3.82Å; H56-K81 PolarHBondContact CD2-NZ 2.89Å; H56-K81 WeakPolarHBondContact NE2-CD 3.25Å; H56-K81 PolarHBondContact NE2-NZ 3.02Å | ||
| 57 | V | 77.3 | Confident | 74.1 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | trans | -127.1 | 151.3 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | D59 L63 N74 R78 | V57-D59 WeakPolarHBondContact CG2-O 3.33Å; V57-L63 HydrophobicContact CG2-CD2 3.68Å; V57-L63 HydrophobicContact CG2-CG 3.82Å; V57-N74 PolarHBondContact N-OD1 3.02Å; V57-N74 PolarHBondContact O-ND2 3.4Å; V57-N74 VanDerWaalsContact O-ND2 3.12Å; V57-N74 PolarHBondContact O-OD1 3.04Å; V57-R78 VanDerWaalsContact C-NH1 3.32Å; V57-R78 WeakPolarHBondContact O-CD 3.18Å; V57-R78 PolarHBondContact O-NH1 3.15Å | ||
| 58 | D | 79.9 | Confident | 74.1 | Confident | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -77.2 | -33.8 | 178.9 | -81.8 | -21.9 | 0 | 0 | 0 | 113 | R78 Y87 P123 | D58-R78 IonicContact OD1-CZ 2.75Å; D58-R78 IonicContact OD1-NH1 3.19Å; D58-R78 PolarHBondContact OD1-NH1 3.2Å; D58-R78 IonicContact OD1-NH2 3.27Å; D58-R78 PolarHBondContact OD1-NH2 3.46Å; D58-Y87 PolarHBondContact O-N 2.85Å; D58-P123 HydrophobicContact CB-CG 3.68Å; D58-P123 WeakPolarHBondContact O-CG 3.45Å; D58-P123 VanDerWaalsContact OD1-CD 3.23Å; D58-P123 WeakPolarHBondContact OD1-CD 3.45Å |
| 59 | D | 80.2 | Confident | 74.6 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -115.7 | 121.1 | 168.5 | -179.9 | 9 | 0 | 0 | 0 | 109.1 | V57 C61 S62 A89 | V57-D59 WeakPolarHBondContact CG2-O 3.33Å; D59-C61 PolarHBondContact O-N 3.47Å; D59-C61 VanDerWaalsContact O-N 3.12Å; D59-C61 PolarHBondContact OD1-N 2.96Å; D59-S62 VanDerWaalsContact O-CB 3.27Å; D59-S62 WeakPolarHBondContact O-CB 3.31Å; D59-S62 PolarHBondContact O-N 2.95Å; D59-S62 PolarHBondContact O-OG 3.17Å; D59-A89 PolarHBondContact OD1-N 3.49Å |
| 60 | N | 81.8 | Confident | 75 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -56.5 | -27.6 | 178.2 | -72.1 | -70.7 | 0 | 0 | 0 | 112.1 | S62 L63 L66 L71 N74 T86 Y87 V88 L697 | N60-S62 PolarHBondContact O-N 2.73Å; N60-L63 HydrophobicContact CB-CD1 4.25Å; N60-L63 WeakPolarHBondContact O-CB 3.31Å; N60-L63 VanDerWaalsContact O-CG 3.27Å; N60-L63 WeakPolarHBondContact O-CG 3.33Å; N60-L63 PolarHBondContact O-N 2.72Å; N60-L66 WeakPolarHBondContact O-CD2 3.38Å; N60-L71 HydrophobicContact CB-CD1 4.33Å; N60-L71 WeakPolarHBondContact OD1-CD1 3.37Å; N60-N74 PolarHBondContact OD1-ND2 2.71Å; N60-T86 VanDerWaalsContact ND2-CG2 3.31Å; N60-T86 WeakPolarHBondContact ND2-CG2 3.31Å; N60-Y87 PolarHBondContact N-O 3.35Å; N60-Y87 PolarHBondContact ND2-O 3.35Å; N60-V88 HydrophobicContact CB-CG2 4.16Å; N60-L697 HydrophobicContact CB-CD2 3.81Å |
| 61 | C | 73.1 | Confident | 76 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -66.3 | 2.8 | 174 | -61.3 | 0 | 0 | 0 | 0 | 114.3 | D59 P759 | D59-C61 PolarHBondContact O-N 3.47Å; D59-C61 VanDerWaalsContact O-N 3.12Å; D59-C61 PolarHBondContact OD1-N 2.96Å; C61-P759 HydrophobicContact CB-CB 3.84Å; C61-P759 HydrophobicContact CB-CG 3.58Å; C61-P759 WeakPolarHBondContact O-CB 3.34Å |
| 62 | S | 68.8 | Low | 77.5 | Confident | 65 Ų | 65 | 41.5 Ų | 41.5 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -103.2 | 1.7 | 171.4 | -46.8 | 0 | 0 | 0 | 0 | 114.1 | D59 N60 | D59-S62 VanDerWaalsContact O-CB 3.27Å; D59-S62 WeakPolarHBondContact O-CB 3.31Å; D59-S62 PolarHBondContact O-N 2.95Å; D59-S62 PolarHBondContact O-OG 3.17Å; N60-S62 PolarHBondContact O-N 2.73Å |
| 63 | L | 68.1 | Low | 78.7 | Confident | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | trans | -67 | 148.7 | 173 | -67 | 168.2 | 0 | 0 | 0 | 111 | V57 N60 L66 N74 | V57-L63 HydrophobicContact CG2-CD2 3.68Å; V57-L63 HydrophobicContact CG2-CG 3.82Å; N60-L63 HydrophobicContact CB-CD1 4.25Å; N60-L63 WeakPolarHBondContact O-CB 3.31Å; N60-L63 VanDerWaalsContact O-CG 3.27Å; N60-L63 WeakPolarHBondContact O-CG 3.33Å; N60-L63 PolarHBondContact O-N 2.72Å; L63-L66 HydrophobicContact CB-CD2 4.04Å; L63-N74 HydrophobicContact CD2-CB 4.45Å | ||
| 64 | M | 65 | Low | 79.5 | Confident | 111 Ų | 111 | 36.5 Ų | 36.5 | 55% | 0.547 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -72 | -40.4 | 176.8 | 177.6 | 177.3 | 173.2 | 0 | 0 | 111.3 | E50 | E50-M64 HydrophobicContact CG-CB 4.04Å; E50-M64 WeakPolarHBondContact OE1-CB 3.19Å; E50-M64 PolarHBondContact OE1-N 2.84Å |
| 65 | Y | 67.3 | Low | 80.3 | Confident | 69 Ų | 69 | 31 Ų | 31 | 27% | 0.271 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -114.8 | 116.5 | 171.1 | -60.4 | -67.1 | 0 | 0 | 0 | 108.6 | P48 A49 E50 T70 | P48-Y65 HydrophobicContact CB-CD1 4.06Å; P48-Y65 HydrophobicContact CB-CD2 4.1Å; P48-Y65 HydrophobicContact CB-CE1 4.06Å; P48-Y65 HydrophobicContact CB-CE2 4.1Å; P48-Y65 HydrophobicContact CB-CG 4.08Å; P48-Y65 HydrophobicContact CG-CD1 3.66Å; P48-Y65 HydrophobicContact CG-CD2 4.36Å; P48-Y65 HydrophobicContact CG-CE1 4.04Å; P48-Y65 HydrophobicContact CG-CG 3.83Å; A49-Y65 VanDerWaalsContact O-CE2 3.3Å; A49-Y65 WeakPolarHBondContact O-CE2 3.26Å; E50-Y65 HydrophobicContact CG-CD2 4.08Å; Y65-T70 WeakPolarHBondContact O-CB 3.25Å; Y65-T70 PolarHBondContact O-OG1 2.79Å |
| 66 | L | 74.5 | Confident | 81.3 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | trans | -89.8 | 103.7 | 174.2 | -65.9 | 163.9 | 0 | 0 | 0 | 107.1 | N60 L63 L697 Q701 | N60-L66 WeakPolarHBondContact O-CD2 3.38Å; L63-L66 HydrophobicContact CB-CD2 4.04Å; L66-L697 HydrophobicContact CD2-CD2 4.03Å; L66-Q701 HydrophobicContact CD1-CB 3.59Å; L66-Q701 HydrophobicContact CD1-CG 3.72Å | ||
| 67 | N | 80.9 | Confident | 81.8 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -154.2 | 171.2 | 175.7 | 63.3 | 64.7 | 0 | 0 | 0 | 110.4 | F47 P48 A69 T70 L71 | F47-N67 HydrophobicContact CB-CB 4.25Å; F47-N67 HydrophobicContact CD1-CB 3.76Å; F47-N67 HydrophobicContact CE1-CB 4.36Å; F47-N67 HydrophobicContact CG-CB 4.09Å; P48-N67 PolarHBondContact O-ND2 3.33Å; N67-A69 VanDerWaalsContact C-N 3.29Å; N67-A69 PolarHBondContact O-N 3.45Å; N67-A69 WeakPolarHBondContact OD1-CB 3.44Å; N67-A69 PolarHBondContact OD1-N 2.73Å; N67-A69 VanDerWaalsContact OD1-N 3.08Å; N67-T70 PolarHBondContact N-OG1 2.84Å; N67-T70 PolarHBondContact O-N 3.27Å; N67-T70 PolarHBondContact O-OG1 3.33Å; N67-T70 VanDerWaalsContact O-OG1 3.13Å; N67-T70 PolarHBondContact OD1-N 2.88Å; N67-T70 PolarHBondContact OD1-OG1 3.37Å; N67-L71 WeakPolarHBondContact O-CB 3.43Å; N67-L71 PolarHBondContact O-N 2.85Å |
| 68 | E | 86 | Confident | 82.6 | Confident | 37 Ų | 37 | 26.2 Ų | 26.2 | 17% | 0.173 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -37.8 | -176.6 | -52.2 | -164.1 | 146.3 | 0 | 0 | 113.1 | F14 L72 L685 Q689 V694 | F14-E68 HydrophobicContact CE2-CB 3.93Å; F14-E68 HydrophobicContact CZ-CB 4.27Å; E68-L72 VanDerWaalsContact O-CB 3.31Å; E68-L72 WeakPolarHBondContact O-CB 3.25Å; E68-L72 PolarHBondContact O-N 2.97Å; E68-L685 HydrophobicContact CB-CD1 3.98Å; E68-Q689 WeakPolarHBondContact OE1-CG 3.37Å; E68-Q689 PolarHBondContact OE1-NE2 2.99Å; E68-Q689 PolarHBondContact OE2-NE2 3.27Å; E68-V694 HydrophobicContact CG-CB 4.4Å; E68-V694 HydrophobicContact CG-CG1 3.7Å; E68-V694 HydrophobicContact CG-CG2 3.76Å |
| 69 | A | 88.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -75.5 | -39 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W6 F14 F47 N67 L72 N73 | W6-A69 HydrophobicContact CB-CB 3.38Å; W6-A69 HydrophobicContact CD2-CB 3.95Å; W6-A69 HydrophobicContact CG-CB 3.37Å; F14-A69 HydrophobicContact CB-CB 3.9Å; F14-A69 HydrophobicContact CD1-CB 3.93Å; F14-A69 HydrophobicContact CD2-CB 3.46Å; F14-A69 VanDerWaalsContact CD2-CB 3.46Å; F14-A69 HydrophobicContact CE1-CB 4.33Å; F14-A69 HydrophobicContact CE2-CB 3.88Å; F14-A69 HydrophobicContact CG-CB 3.48Å; F14-A69 VanDerWaalsContact CG-CB 3.48Å; F14-A69 HydrophobicContact CZ-CB 4.32Å; F47-A69 HydrophobicContact CD2-CB 4.33Å; N67-A69 VanDerWaalsContact C-N 3.29Å; N67-A69 PolarHBondContact O-N 3.45Å; N67-A69 WeakPolarHBondContact OD1-CB 3.44Å; N67-A69 PolarHBondContact OD1-N 2.73Å; N67-A69 VanDerWaalsContact OD1-N 3.08Å; A69-L72 PolarHBondContact O-N 2.86Å; A69-N73 VanDerWaalsContact O-CB 3.28Å; A69-N73 WeakPolarHBondContact O-CB 3.49Å; A69-N73 PolarHBondContact O-N 2.83Å |
| 70 | T | 84.4 | Confident | 83.8 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.7 | -37.1 | 174.2 | 54.4 | 0 | 0 | 0 | 0 | 112 | Y65 N67 N73 N74 | Y65-T70 WeakPolarHBondContact O-CB 3.25Å; Y65-T70 PolarHBondContact O-OG1 2.79Å; N67-T70 PolarHBondContact N-OG1 2.84Å; N67-T70 PolarHBondContact O-N 3.27Å; N67-T70 PolarHBondContact O-OG1 3.33Å; N67-T70 VanDerWaalsContact O-OG1 3.13Å; N67-T70 PolarHBondContact OD1-N 2.88Å; N67-T70 PolarHBondContact OD1-OG1 3.37Å; T70-N73 PolarHBondContact O-N 2.93Å; T70-N74 WeakPolarHBondContact O-CB 3.39Å; T70-N74 PolarHBondContact O-N 3.35Å |
| 71 | L | 89 | Confident | 84.3 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.7 | -53.7 | 168.1 | 169.7 | 64.8 | 0 | 0 | 0 | 110.7 | N60 N67 N73 N74 V75 I93 L688 M693 L697 | N60-L71 HydrophobicContact CB-CD1 4.33Å; N60-L71 WeakPolarHBondContact OD1-CD1 3.37Å; N67-L71 WeakPolarHBondContact O-CB 3.43Å; N67-L71 PolarHBondContact O-N 2.85Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.11Å; L71-N74 PolarHBondContact O-N 2.77Å; L71-V75 HydrophobicContact CD1-CG2 4.12Å; L71-V75 WeakPolarHBondContact O-CG2 3.43Å; L71-V75 PolarHBondContact O-N 3.12Å; L71-I93 HydrophobicContact CD1-CD1 4.05Å; L71-L688 HydrophobicContact CD2-CB 4.16Å; L71-L688 HydrophobicContact CD2-CD1 4.05Å; L71-L688 HydrophobicContact CD2-CD2 4.36Å; L71-L688 HydrophobicContact CD2-CG 4.43Å; L71-L688 HydrophobicContact CG-CD1 4.12Å; L71-M693 HydrophobicContact CD2-CB 4.2Å; L71-L697 HydrophobicContact CB-CD1 3.92Å; L71-L697 HydrophobicContact CD1-CD1 4.18Å; L71-L697 HydrophobicContact CD2-CD1 3.77Å; L71-L697 HydrophobicContact CG-CD1 4.14Å |
| 72 | L | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -41.9 | -179.8 | -177.8 | 66.5 | 0 | 0 | 0 | 111.6 | D12 F14 E68 A69 V75 R76 F679 I684 L685 L688 | D12-L72 WeakPolarHBondContact O-CD2 3.2Å; F14-L72 HydrophobicContact CD2-CD2 4.01Å; E68-L72 VanDerWaalsContact O-CB 3.31Å; E68-L72 WeakPolarHBondContact O-CB 3.25Å; E68-L72 PolarHBondContact O-N 2.97Å; A69-L72 PolarHBondContact O-N 2.86Å; L72-V75 PolarHBondContact O-N 3.21Å; L72-R76 VanDerWaalsContact O-CB 3.3Å; L72-R76 WeakPolarHBondContact O-CB 3.49Å; L72-R76 PolarHBondContact O-N 3.19Å; L72-F679 HydrophobicContact CD1-CE1 4.26Å; L72-F679 HydrophobicContact CD1-CZ 4.06Å; L72-I684 HydrophobicContact CD1-CB 4.01Å; L72-I684 HydrophobicContact CD1-CG2 3.63Å; L72-L685 HydrophobicContact CD1-CB 4.29Å; L72-L685 HydrophobicContact CD2-CB 4.11Å; L72-L688 HydrophobicContact CD1-CD1 4.42Å |
| 73 | N | 91.1 | Very high | 86.4 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.2 | -40.4 | 179.4 | -168.3 | 60.6 | 0 | 0 | 0 | 112.8 | W6 V53 A69 T70 L71 R76 I77 | W6-N73 HydrophobicContact CH2-CB 3.89Å; W6-N73 VanDerWaalsContact CH2-CG 3.48Å; W6-N73 WeakPolarHBondContact CH2-OD1 3.38Å; W6-N73 HydrophobicContact CZ2-CB 3.66Å; W6-N73 VanDerWaalsContact CZ2-CG 3.46Å; V53-N73 PolarHBondContact O-ND2 2.95Å; A69-N73 VanDerWaalsContact O-CB 3.28Å; A69-N73 WeakPolarHBondContact O-CB 3.49Å; A69-N73 PolarHBondContact O-N 2.83Å; T70-N73 PolarHBondContact O-N 2.93Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.11Å; N73-R76 WeakPolarHBondContact O-CB 3.38Å; N73-R76 PolarHBondContact O-N 3.37Å; N73-R76 PolarHBondContact OD1-NH1 2.78Å; N73-I77 VanDerWaalsContact ND2-CD1 3.27Å; N73-I77 WeakPolarHBondContact ND2-CD1 3.47Å; N73-I77 WeakPolarHBondContact O-CG1 3.48Å; N73-I77 PolarHBondContact O-N 2.84Å |
| 74 | N | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 173.8 | -173.3 | 41.3 | 0 | 0 | 0 | 110.6 | H56 V57 N60 L63 T70 L71 R76 I77 R78 | H56-N74 WeakPolarHBondContact CA-OD1 3.11Å; H56-N74 WeakPolarHBondContact CB-OD1 3.23Å; V57-N74 PolarHBondContact N-OD1 3.02Å; V57-N74 PolarHBondContact O-ND2 3.4Å; V57-N74 VanDerWaalsContact O-ND2 3.12Å; V57-N74 PolarHBondContact O-OD1 3.04Å; N60-N74 PolarHBondContact OD1-ND2 2.71Å; L63-N74 HydrophobicContact CD2-CB 4.45Å; T70-N74 WeakPolarHBondContact O-CB 3.39Å; T70-N74 PolarHBondContact O-N 3.35Å; L71-N74 PolarHBondContact O-N 2.77Å; N74-R76 VanDerWaalsContact C-N 3.33Å; N74-R76 PolarHBondContact O-N 3.27Å; N74-I77 PolarHBondContact O-N 3.48Å; N74-R78 WeakPolarHBondContact O-CB 3.39Å; N74-R78 WeakPolarHBondContact O-CG 3.34Å; N74-R78 PolarHBondContact O-N 2.85Å |
| 75 | V | 93.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L71 L72 Y79 V95 F679 I684 | L71-V75 HydrophobicContact CD1-CG2 4.12Å; L71-V75 WeakPolarHBondContact O-CG2 3.43Å; L71-V75 PolarHBondContact O-N 3.12Å; L72-V75 PolarHBondContact O-N 3.21Å; V75-Y79 WeakPolarHBondContact O-CB 3.42Å; V75-Y79 PolarHBondContact O-N 2.79Å; V75-V95 HydrophobicContact CG1-CG2 3.71Å; V75-F679 HydrophobicContact CG1-CE2 4.37Å; V75-I684 HydrophobicContact CG1-CG2 4.49Å |
| 76 | R | 93.8 | Very high | 90.3 | Very high | 44 Ų | 44 | 26.4 Ų | 26.4 | 17% | 0.166 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.2 | -57.4 | 174.8 | -174 | -171.4 | -71.3 | 141.1 | -10.9 | 111.9 | D12 F14 L72 N73 N74 R78 Y79 T80 F679 | D12-R76 PolarHBondContact O-NH2 3.11Å; F14-R76 PolarHBondContact O-NH2 2.75Å; L72-R76 VanDerWaalsContact O-CB 3.3Å; L72-R76 WeakPolarHBondContact O-CB 3.49Å; L72-R76 PolarHBondContact O-N 3.19Å; N73-R76 WeakPolarHBondContact O-CB 3.38Å; N73-R76 PolarHBondContact O-N 3.37Å; N73-R76 PolarHBondContact OD1-NH1 2.78Å; N74-R76 VanDerWaalsContact C-N 3.33Å; N74-R76 PolarHBondContact O-N 3.27Å; R76-R78 VanDerWaalsContact C-N 3.3Å; R76-R78 PolarHBondContact O-N 2.91Å; R76-Y79 PolarHBondContact O-N 3.35Å; R76-T80 PolarHBondContact O-N 3.35Å; R76-T80 PolarHBondContact O-OG1 3.33Å; R76-T80 VanDerWaalsContact O-OG1 3.12Å; R76-F679 VanDerWaalsContact CA-CE2 3.41Å; R76-F679 VanDerWaalsContact CA-CZ 3.48Å; R76-F679 HydrophobicContact CB-CD1 4.42Å; R76-F679 HydrophobicContact CB-CE1 3.74Å; R76-F679 HydrophobicContact CB-CE2 3.91Å; R76-F679 HydrophobicContact CB-CZ 3.45Å; R76-F679 VanDerWaalsContact CB-CZ 3.45Å; R76-F679 HydrophobicContact CG-CD1 3.94Å; R76-F679 HydrophobicContact CG-CD2 4.48Å; R76-F679 HydrophobicContact CG-CE1 3.72Å; R76-F679 HydrophobicContact CG-CE2 4.28Å; R76-F679 HydrophobicContact CG-CG 4.32Å; R76-F679 HydrophobicContact CG-CZ 3.91Å |
| 77 | I | 92.8 | Very high | 91 | Very high | 21 Ų | 21 | 25.5 Ų | 25.5 | 11% | 0.108 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | -175.5 | -68.5 | 161.9 | 0 | 0 | 0 | 111.3 | V53 H56 N73 N74 T80 K81 | V53-I77 WeakPolarHBondContact O-CD1 3.21Å; H56-I77 HydrophobicContact CB-CG2 4.08Å; N73-I77 VanDerWaalsContact ND2-CD1 3.27Å; N73-I77 WeakPolarHBondContact ND2-CD1 3.47Å; N73-I77 WeakPolarHBondContact O-CG1 3.48Å; N73-I77 PolarHBondContact O-N 2.84Å; N74-I77 PolarHBondContact O-N 3.48Å; I77-T80 PolarHBondContact O-N 3.23Å; I77-K81 HydrophobicContact CG2-CD 4.42Å; I77-K81 WeakPolarHBondContact O-CG 3.3Å; I77-K81 PolarHBondContact O-N 3.21Å |
| 78 | R | 93.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.5 | -69.4 | 177.6 | 73 | 78 | 8.9 | 111.7 | H56 V57 D58 N74 R76 T80 K81 D82 H83 Y85 T86 | H56-R78 HydrophobicContact CB-CG 3.82Å; V57-R78 VanDerWaalsContact C-NH1 3.32Å; V57-R78 WeakPolarHBondContact O-CD 3.18Å; V57-R78 PolarHBondContact O-NH1 3.15Å; D58-R78 IonicContact OD1-CZ 2.75Å; D58-R78 IonicContact OD1-NH1 3.19Å; D58-R78 PolarHBondContact OD1-NH1 3.2Å; D58-R78 IonicContact OD1-NH2 3.27Å; D58-R78 PolarHBondContact OD1-NH2 3.46Å; N74-R78 WeakPolarHBondContact O-CB 3.39Å; N74-R78 WeakPolarHBondContact O-CG 3.34Å; N74-R78 PolarHBondContact O-N 2.85Å; R76-R78 VanDerWaalsContact C-N 3.3Å; R76-R78 PolarHBondContact O-N 2.91Å; R78-T80 VanDerWaalsContact C-N 3.35Å; R78-T80 PolarHBondContact O-N 3.32Å; R78-K81 CarbonylContact O-C 3.49Å; R78-K81 PolarHBondContact O-N 3.08Å; R78-D82 PolarHBondContact O-N 3.02Å; R78-H83 HydrophobicContact CB-CB 3.99Å; R78-H83 WeakPolarHBondContact CB-O 3.25Å; R78-H83 WeakPolarHBondContact O-CA 3.43Å; R78-H83 WeakPolarHBondContact O-CB 3.2Å; R78-H83 PolarHBondContact O-N 3Å; R78-Y85 PolarHBondContact NE-O 2.93Å; R78-Y85 PolarHBondContact NH2-O 2.81Å; R78-T86 VanDerWaalsContact CD-OG1 3.31Å; R78-T86 WeakPolarHBondContact CD-OG1 3.43Å; R78-T86 PolarHBondContact NE-OG1 3.42Å |
| 79 | Y | 93.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.02 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 174.9 | -174.4 | -104 | 0 | 0 | 0 | 112.4 | V75 R76 K81 D82 I84 V95 P670 H677 F679 | V75-Y79 WeakPolarHBondContact O-CB 3.42Å; V75-Y79 PolarHBondContact O-N 2.79Å; R76-Y79 PolarHBondContact O-N 3.35Å; Y79-K81 PolarHBondContact O-N 2.72Å; Y79-D82 PolarHBondContact O-N 3.12Å; Y79-D82 VanDerWaalsContact O-N 3.09Å; Y79-I84 HydrophobicContact CD2-CG2 4.5Å; Y79-V95 HydrophobicContact CD2-CB 3.93Å; Y79-V95 HydrophobicContact CD2-CG1 3.49Å; Y79-V95 VanDerWaalsContact CD2-CG1 3.49Å; Y79-V95 HydrophobicContact CE2-CB 4.37Å; Y79-V95 HydrophobicContact CE2-CG1 3.66Å; Y79-V95 HydrophobicContact CG-CG1 4.29Å; Y79-P670 HydrophobicContact CE1-CB 4.39Å; Y79-P670 HydrophobicContact CE2-CB 4.35Å; Y79-P670 HydrophobicContact CE2-CG 4.26Å; Y79-H677 PolarHBondContact OH-N 2.78Å; Y79-F679 HydrophobicContact CD1-CB 4.34Å; Y79-F679 AromaticContact CD1-CD2 3.81Å; Y79-F679 HydrophobicContact CD1-CD2 3.81Å; Y79-F679 HydrophobicContact CG-CD2 4.21Å |
| 80 | T | 91.5 | Very high | 90.3 | Very high | 106 Ų | 106 | 25.4 Ų | 25.4 | 65% | 0.65 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -66.5 | -14.8 | 174.4 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | R76 I77 R78 | R76-T80 PolarHBondContact O-N 3.35Å; R76-T80 PolarHBondContact O-OG1 3.33Å; R76-T80 VanDerWaalsContact O-OG1 3.12Å; I77-T80 PolarHBondContact O-N 3.23Å; R78-T80 VanDerWaalsContact C-N 3.35Å; R78-T80 PolarHBondContact O-N 3.32Å |
| 81 | K | 91.9 | Very high | 90.6 | Very high | 100 Ų | 100 | 25.1 Ų | 25.1 | 44% | 0.435 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 18.5 | 173.4 | -63 | -178.5 | -171.8 | -171.6 | 0 | 112.7 | H56 I77 R78 Y79 H83 | H56-K81 PolarHBondContact CD2-NZ 2.89Å; H56-K81 WeakPolarHBondContact NE2-CD 3.25Å; H56-K81 PolarHBondContact NE2-NZ 3.02Å; I77-K81 HydrophobicContact CG2-CD 4.42Å; I77-K81 WeakPolarHBondContact O-CG 3.3Å; I77-K81 PolarHBondContact O-N 3.21Å; R78-K81 CarbonylContact O-C 3.49Å; R78-K81 PolarHBondContact O-N 3.08Å; Y79-K81 PolarHBondContact O-N 2.72Å; K81-H83 PolarHBondContact O-CE1 3.07Å; K81-H83 PolarHBondContact O-N 3.38Å; K81-H83 PolarHBondContact O-ND1 2.69Å; K81-H83 VanDerWaalsContact O-ND1 3.11Å |
| 82 | D | 91.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 25 Ų | 25 | 34% | 0.337 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 15.9 | -176.4 | -58.5 | -53.6 | 0 | 0 | 0 | 115 | R78 Y79 I84 Y99 H677 | R78-D82 PolarHBondContact O-N 3.02Å; Y79-D82 PolarHBondContact O-N 3.12Å; Y79-D82 VanDerWaalsContact O-N 3.09Å; D82-I84 VanDerWaalsContact C-N 3.27Å; D82-I84 PolarHBondContact O-N 2.77Å; D82-Y99 WeakPolarHBondContact CB-OH 3.45Å; D82-Y99 PolarHBondContact OD1-OH 3.37Å; D82-H677 IonicContact OD1-CE1 3.79Å; D82-H677 PolarHBondContact OD1-CE1 2.83Å; D82-H677 IonicContact OD1-ND1 3.38Å |
| 83 | H | 93.3 | Very high | 90.9 | Very high | 89 Ų | 89 | 25 Ų | 25 | 41% | 0.412 | 13% | 0.126 | S | C | . | . | trans | -84.7 | 67.6 | 174.4 | -63.7 | -7.2 | 0 | 0 | 0 | 110.2 | R78 K81 Y85 | R78-H83 HydrophobicContact CB-CB 3.99Å; R78-H83 WeakPolarHBondContact CB-O 3.25Å; R78-H83 WeakPolarHBondContact O-CA 3.43Å; R78-H83 WeakPolarHBondContact O-CB 3.2Å; R78-H83 PolarHBondContact O-N 3Å; K81-H83 PolarHBondContact O-CE1 3.07Å; K81-H83 PolarHBondContact O-N 3.38Å; K81-H83 PolarHBondContact O-ND1 2.69Å; K81-H83 VanDerWaalsContact O-ND1 3.11Å; H83-Y85 PolarHBondContact O-N 2.69Å | ||
| 84 | I | 94.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.036 | 12% | 0.123 | C | C | . | . | trans | -60 | -13.9 | -174 | 61.3 | 169.6 | 0 | 0 | 0 | 115.8 | Y79 D82 V95 P97 V101 L104 Y105 | Y79-I84 HydrophobicContact CD2-CG2 4.5Å; D82-I84 VanDerWaalsContact C-N 3.27Å; D82-I84 PolarHBondContact O-N 2.77Å; I84-V95 WeakPolarHBondContact CB-O 3.18Å; I84-V95 PolarHBondContact O-N 2.86Å; I84-P97 HydrophobicContact CD1-CG 4.24Å; I84-P97 HydrophobicContact CG2-CB 4.01Å; I84-P97 HydrophobicContact CG2-CG 4.36Å; I84-V101 HydrophobicContact CD1-CG2 4.28Å; I84-L104 HydrophobicContact CD1-CD2 3.8Å; I84-L104 HydrophobicContact CG1-CD2 4.13Å; I84-Y105 WeakPolarHBondContact CD1-OH 3.42Å | ||
| 85 | Y | 96 | Very high | 91.4 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 138.2 | -177.2 | -73.6 | -61 | 0 | 0 | 0 | 111.8 | R78 H83 L92 I93 A94 L104 Y105 P123 H124 V125 N158 | R78-Y85 PolarHBondContact NE-O 2.93Å; R78-Y85 PolarHBondContact NH2-O 2.81Å; H83-Y85 PolarHBondContact O-N 2.69Å; Y85-L92 HydrophobicContact CD1-CD1 3.85Å; Y85-L92 HydrophobicContact CD1-CD2 3.75Å; Y85-L92 HydrophobicContact CD1-CG 3.92Å; Y85-L92 HydrophobicContact CE1-CD2 3.87Å; Y85-L92 HydrophobicContact CE1-CG 4.43Å; Y85-L92 HydrophobicContact CG-CD1 4.32Å; Y85-I93 WeakPolarHBondContact CA-O 3.44Å; Y85-A94 HydrophobicContact CD1-CB 3.73Å; Y85-A94 HydrophobicContact CE1-CB 3.5Å; Y85-A94 VanDerWaalsContact CE1-CB 3.5Å; Y85-L104 HydrophobicContact CE2-CD2 4.25Å; Y85-Y105 HydrophobicContact CE2-CE1 4.13Å; Y85-Y105 PolarHBondContact OH-OH 3.2Å; Y85-P123 WeakPolarHBondContact CB-O 3.48Å; Y85-P123 WeakPolarHBondContact O-CB 3.49Å; Y85-H124 AromaticContact CD2-CD2 3.49Å; Y85-H124 VanDerWaalsContact CD2-CD2 3.49Å; Y85-H124 WeakPolarHBondContact CD2-CD2 3.47Å; Y85-H124 AromaticContact CE2-CD2 3.47Å; Y85-H124 VanDerWaalsContact CE2-CD2 3.47Å; Y85-H124 WeakPolarHBondContact CE2-CD2 3.46Å; Y85-H124 AromaticContact CE2-NE2 3.64Å; Y85-V125 HydrophobicContact CE1-CB 4.12Å; Y85-V125 HydrophobicContact CE2-CG1 4.25Å; Y85-V125 WeakPolarHBondContact OH-CB 3.49Å; Y85-V125 VanDerWaalsContact OH-CG1 3.28Å; Y85-V125 WeakPolarHBondContact OH-CG1 3.45Å; Y85-N158 WeakPolarHBondContact CE1-OD1 3.28Å; Y85-N158 PolarHBondContact OH-OD1 2.67Å |
| 86 | T | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140.1 | 176.7 | -41.5 | 0 | 0 | 0 | 0 | 110.5 | N60 R78 I93 | N60-T86 VanDerWaalsContact ND2-CG2 3.31Å; N60-T86 WeakPolarHBondContact ND2-CG2 3.31Å; R78-T86 VanDerWaalsContact CD-OG1 3.31Å; R78-T86 WeakPolarHBondContact CD-OG1 3.43Å; R78-T86 PolarHBondContact NE-OG1 3.42Å; T86-I93 PolarHBondContact N-O 3.24Å; T86-I93 PolarHBondContact O-N 3.37Å |
| 87 | Y | 88 | Confident | 91.3 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 153.2 | 174.3 | -63.1 | -56.9 | 0 | 0 | 0 | 112.8 | D58 N60 I91 L92 L118 P123 H124 A127 I128 | D58-Y87 PolarHBondContact O-N 2.85Å; N60-Y87 PolarHBondContact N-O 3.35Å; N60-Y87 PolarHBondContact ND2-O 3.35Å; Y87-I91 WeakPolarHBondContact CA-O 3.31Å; Y87-L92 HydrophobicContact CD1-CD1 3.95Å; Y87-L92 HydrophobicContact CE1-CD1 3.91Å; Y87-L118 HydrophobicContact CD1-CD1 4.44Å; Y87-L118 HydrophobicContact CE1-CD1 3.64Å; Y87-L118 HydrophobicContact CE1-CG 4.42Å; Y87-L118 HydrophobicContact CE2-CD1 4.31Å; Y87-P123 HydrophobicContact CD1-CB 4.39Å; Y87-P123 HydrophobicContact CD2-CB 3.9Å; Y87-P123 HydrophobicContact CD2-CG 3.73Å; Y87-P123 HydrophobicContact CE1-CB 4.28Å; Y87-P123 VanDerWaalsContact CE2-CA 3.5Å; Y87-P123 HydrophobicContact CE2-CB 3.79Å; Y87-P123 HydrophobicContact CE2-CG 3.85Å; Y87-P123 HydrophobicContact CG-CB 4.19Å; Y87-P123 HydrophobicContact CG-CG 4.33Å; Y87-H124 PolarHBondContact OH-N 3.3Å; Y87-A127 WeakPolarHBondContact OH-CB 3.45Å; Y87-I128 HydrophobicContact CE1-CD1 4.12Å |
| 88 | V | 85.5 | Confident | 91 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 90.3 | 156.4 | 176.3 | 0 | 0 | 0 | 0 | 105.4 | N60 N90 I91 I93 V696 L697 | N60-V88 HydrophobicContact CB-CG2 4.16Å; V88-N90 PolarHBondContact O-N 3.35Å; V88-I91 HydrophobicContact CB-CB 4.4Å; V88-I91 PolarHBondContact N-O 3.12Å; V88-I91 PolarHBondContact O-N 2.87Å; V88-I93 HydrophobicContact CG2-CD1 3.59Å; V88-I93 HydrophobicContact CG2-CG1 4.18Å; V88-V696 HydrophobicContact CG1-CB 4.44Å; V88-V696 HydrophobicContact CG1-CG1 3.79Å; V88-L697 HydrophobicContact CG1-CD2 3.76Å; V88-L697 HydrophobicContact CG1-CG 4.13Å; V88-L697 HydrophobicContact CG2-CD2 4.43Å |
| 89 | A | 77.9 | Confident | 90.7 | Very high | 9 Ų | 9 | 29 Ų | 29 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -95.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D59 L118 M700 P705 | D59-A89 PolarHBondContact OD1-N 3.49Å; A89-L118 WeakPolarHBondContact O-CD2 3.24Å; A89-M700 HydrophobicContact CB-CG 4.07Å; A89-M700 HydrophobicContact CB-SD 4.43Å; A89-P705 HydrophobicContact CB-CB 3.74Å; A89-P705 HydrophobicContact CB-CG 4.2Å |
| 90 | N | 78.2 | Confident | 90.3 | Very high | 41 Ų | 41 | 35.6 Ų | 35.6 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 0.1 | 179.6 | 68.1 | -31.5 | 0 | 0 | 0 | 114.2 | V88 | V88-N90 PolarHBondContact O-N 3.35Š|
| 91 | I | 89.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.5 | 177.3 | -53.9 | 175.3 | 0 | 0 | 0 | 109 | Y87 V88 F482 I486 F664 R666 M693 V696 | Y87-I91 WeakPolarHBondContact CA-O 3.31Å; V88-I91 HydrophobicContact CB-CB 4.4Å; V88-I91 PolarHBondContact N-O 3.12Å; V88-I91 PolarHBondContact O-N 2.87Å; I91-F482 HydrophobicContact CD1-CE2 3.68Å; I91-F482 HydrophobicContact CD1-CZ 3.76Å; I91-I486 HydrophobicContact CD1-CG2 4.47Å; I91-F664 HydrophobicContact CG1-CB 4.44Å; I91-F664 HydrophobicContact CG2-CB 4.21Å; I91-R666 HydrophobicContact CG2-CG 3.95Å; I91-M693 HydrophobicContact CD1-CE 3.95Å; I91-M693 HydrophobicContact CD1-SD 4.36Å; I91-M693 HydrophobicContact CG2-CE 4.36Å; I91-M693 HydrophobicContact CG2-SD 3.99Å; I91-V696 HydrophobicContact CD1-CB 4.48Å; I91-V696 HydrophobicContact CD1-CG1 3.98Å; I91-V696 HydrophobicContact CD1-CG2 4.06Å |
| 92 | L | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.1 | 171.8 | -178.9 | 66.4 | 0 | 0 | 0 | 110.5 | Y85 Y87 P123 V125 I128 F664 I665 R666 | Y85-L92 HydrophobicContact CD1-CD1 3.85Å; Y85-L92 HydrophobicContact CD1-CD2 3.75Å; Y85-L92 HydrophobicContact CD1-CG 3.92Å; Y85-L92 HydrophobicContact CE1-CD2 3.87Å; Y85-L92 HydrophobicContact CE1-CG 4.43Å; Y85-L92 HydrophobicContact CG-CD1 4.32Å; Y87-L92 HydrophobicContact CD1-CD1 3.95Å; Y87-L92 HydrophobicContact CE1-CD1 3.91Å; L92-P123 HydrophobicContact CD1-CB 4.21Å; L92-V125 HydrophobicContact CD2-CB 4.19Å; L92-I128 HydrophobicContact CB-CD1 4.13Å; L92-I128 HydrophobicContact CB-CG1 3.82Å; L92-I128 HydrophobicContact CD2-CG1 3.87Å; L92-I128 HydrophobicContact CG-CG1 4.42Å; L92-F664 PolarHBondContact N-O 3.47Å; L92-F664 VanDerWaalsContact N-O 3.1Å; L92-I665 HydrophobicContact CB-CG1 4.41Å; L92-I665 HydrophobicContact CD2-CD1 4.48Å; L92-I665 HydrophobicContact CD2-CG1 4.46Å; L92-I665 HydrophobicContact CD2-CG2 4.39Å; L92-I665 CarbonylContact O-C 3.41Å; L92-I665 WeakPolarHBondContact O-CA 3.48Å; L92-R666 PolarHBondContact O-N 2.86Å |
| 93 | I | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.2 | 163.5 | -62.8 | 174.2 | 0 | 0 | 0 | 108 | L71 Y85 T86 V88 V95 R666 V668 L688 M693 | L71-I93 HydrophobicContact CD1-CD1 4.05Å; Y85-I93 WeakPolarHBondContact CA-O 3.44Å; T86-I93 PolarHBondContact N-O 3.24Å; T86-I93 PolarHBondContact O-N 3.37Å; V88-I93 HydrophobicContact CG2-CD1 3.59Å; V88-I93 HydrophobicContact CG2-CG1 4.18Å; I93-V95 HydrophobicContact CG2-CG2 4.47Å; I93-R666 WeakPolarHBondContact CA-O 3.36Å; I93-V668 HydrophobicContact CG2-CG2 4.06Å; I93-L688 HydrophobicContact CD1-CD2 3.84Å; I93-M693 HydrophobicContact CD1-CG 4.29Å; I93-M693 HydrophobicContact CD1-SD 4.45Å; I93-M693 HydrophobicContact CG1-SD 4.3Å |
| 94 | A | 96.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 111.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y85 I665 R666 C667 V668 | Y85-A94 HydrophobicContact CD1-CB 3.73Å; Y85-A94 HydrophobicContact CE1-CB 3.5Å; Y85-A94 VanDerWaalsContact CE1-CB 3.5Å; A94-I665 HydrophobicContact CB-CG2 4.28Å; A94-R666 PolarHBondContact N-O 3.15Å; A94-C667 CarbonylContact O-C 3.56Å; A94-C667 VanDerWaalsContact O-CA 3.3Å; A94-C667 WeakPolarHBondContact O-CA 3.48Å; A94-V668 PolarHBondContact O-N 2.5Å |
| 95 | V | 95.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.9 | 178 | -170.6 | 0 | 0 | 0 | 0 | 109.5 | V75 Y79 I84 I93 P97 V668 P670 | V75-V95 HydrophobicContact CG1-CG2 3.71Å; Y79-V95 HydrophobicContact CD2-CB 3.93Å; Y79-V95 HydrophobicContact CD2-CG1 3.49Å; Y79-V95 VanDerWaalsContact CD2-CG1 3.49Å; Y79-V95 HydrophobicContact CE2-CB 4.37Å; Y79-V95 HydrophobicContact CE2-CG1 3.66Å; Y79-V95 HydrophobicContact CG-CG1 4.29Å; I84-V95 WeakPolarHBondContact CB-O 3.18Å; I84-V95 PolarHBondContact O-N 2.86Å; I93-V95 HydrophobicContact CG2-CG2 4.47Å; V95-P97 VanDerWaalsContact O-CD 3.28Å; V95-P97 WeakPolarHBondContact O-CD 3.47Å; V95-V668 HydrophobicContact CG2-CB 4.39Å; V95-P670 HydrophobicContact CG1-CB 3.75Å; V95-P670 HydrophobicContact CG1-CG 4.06Å |
| 96 | N | 92.9 | Very high | 88.6 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | trans | -69.3 | 118.8 | -179.3 | -170.5 | -9.4 | 0 | 0 | 0 | 111.7 | Y98 G152 V668 P670 | N96-Y98 VanDerWaalsContact C-N 3.32Å; N96-Y98 HydrophobicContact CB-CE2 4.45Å; N96-Y98 WeakPolarHBondContact ND2-CE1 3.02Å; N96-Y98 PolarHBondContact O-N 2.8Å; N96-Y98 PolarHBondContact OD1-N 2.75Å; N96-G152 PolarHBondContact ND2-O 2.85Å; N96-V668 PolarHBondContact N-O 3.41Å; N96-P670 VanDerWaalsContact O-CG 3.29Å; N96-P670 WeakPolarHBondContact O-CG 3.34Å | ||
| 97 | P | 91.3 | Very high | 88.3 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | trans | -68.5 | -26.7 | 176.5 | 25.3 | -33 | 0 | 0 | 0 | 114.1 | I84 V95 Y99 V101 S676 | I84-P97 HydrophobicContact CD1-CG 4.24Å; I84-P97 HydrophobicContact CG2-CB 4.01Å; I84-P97 HydrophobicContact CG2-CG 4.36Å; V95-P97 VanDerWaalsContact O-CD 3.28Å; V95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-Y99 HydrophobicContact CB-CD1 3.82Å; P97-Y99 HydrophobicContact CB-CE1 3.76Å; P97-Y99 HydrophobicContact CB-CG 4.48Å; P97-Y99 WeakPolarHBondContact CG-O 3.43Å; P97-Y99 WeakPolarHBondContact O-CD1 3.45Å; P97-Y99 PolarHBondContact O-N 2.72Å; P97-V101 HydrophobicContact CB-CG2 4.04Å; P97-V101 HydrophobicContact CG-CG2 4.1Å; P97-S676 WeakPolarHBondContact O-CA 3.23Å; P97-S676 WeakPolarHBondContact O-CB 3.39Å | ||
| 98 | Y | 87.4 | Confident | 88.4 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 60 | 15.5 | -163.7 | -64.8 | -65.8 | 0 | 0 | 0 | 115.6 | N96 G152 K669 P670 M674 V675 | N96-Y98 VanDerWaalsContact C-N 3.32Å; N96-Y98 HydrophobicContact CB-CE2 4.45Å; N96-Y98 WeakPolarHBondContact ND2-CE1 3.02Å; N96-Y98 PolarHBondContact O-N 2.8Å; N96-Y98 PolarHBondContact OD1-N 2.75Å; Y98-G152 PolarHBondContact OH-O 3.05Å; Y98-K669 WeakPolarHBondContact OH-CG 3.25Å; Y98-P670 HydrophobicContact CD2-CG 4.19Å; Y98-P670 HydrophobicContact CE2-CG 3.83Å; Y98-M674 HydrophobicContact CD1-CB 4.06Å; Y98-M674 HydrophobicContact CE1-CB 3.65Å; Y98-M674 HydrophobicContact CE1-CG 3.85Å; Y98-M674 HydrophobicContact CE1-SD 4.24Å; Y98-M674 HydrophobicContact CE2-CB 4.36Å; Y98-V675 WeakPolarHBondContact CD2-O 3.42Å |
| 99 | Y | 86.6 | Confident | 88.6 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 28% | 0.275 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -152.8 | 162.9 | 170.8 | 75.8 | -87 | 0 | 0 | 0 | 110.8 | D82 P97 V101 H677 | D82-Y99 WeakPolarHBondContact CB-OH 3.45Å; D82-Y99 PolarHBondContact OD1-OH 3.37Å; P97-Y99 HydrophobicContact CB-CD1 3.82Å; P97-Y99 HydrophobicContact CB-CE1 3.76Å; P97-Y99 HydrophobicContact CB-CG 4.48Å; P97-Y99 WeakPolarHBondContact CG-O 3.43Å; P97-Y99 WeakPolarHBondContact O-CD1 3.45Å; P97-Y99 PolarHBondContact O-N 2.72Å; Y99-V101 HydrophobicContact CE2-CB 4.47Å; Y99-V101 HydrophobicContact CE2-CG2 4.04Å; Y99-V101 PolarHBondContact O-N 2.83Å; Y99-H677 AromaticContact CE1-CE1 3.62Å |
| 100 | D | 84.6 | Confident | 89.2 | Confident | 143 Ų | 143 | 47.1 Ų | 47.1 | 77% | 0.765 | 25% | 0.25 | S | S | * | . | trans | -76.1 | 110.3 | 177.3 | -76.2 | -47.8 | 0 | 0 | 0 | 112.1 | P102 | D100-P102 VanDerWaalsContact O-CD 3.31Å; D100-P102 WeakPolarHBondContact O-CD 3.44Å | ||
| 101 | V | 87.9 | Confident | 89.8 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | trans | -70.3 | 117.6 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | I84 P97 Y99 L104 | I84-V101 HydrophobicContact CD1-CG2 4.28Å; P97-V101 HydrophobicContact CB-CG2 4.04Å; P97-V101 HydrophobicContact CG-CG2 4.1Å; Y99-V101 HydrophobicContact CE2-CB 4.47Å; Y99-V101 HydrophobicContact CE2-CG2 4.04Å; Y99-V101 PolarHBondContact O-N 2.83Å; V101-L104 HydrophobicContact CB-CB 4.12Å; V101-L104 HydrophobicContact CB-CD2 3.84Å; V101-L104 HydrophobicContact CG1-CB 4.08Å; V101-L104 HydrophobicContact CG1-CD2 3.98Å; V101-L104 HydrophobicContact CG2-CD2 4.26Å | ||
| 102 | P | 86.8 | Confident | 89.8 | Confident | 104 Ų | 104 | 54 Ų | 54 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 140.1 | -173.6 | -26.9 | 35.9 | 0 | 0 | 0 | 113.7 | D100 L104 | D100-P102 VanDerWaalsContact O-CD 3.31Å; D100-P102 WeakPolarHBondContact O-CD 3.44Å; P102-L104 PolarHBondContact O-N 2.78Å |
| 103 | K | 84.7 | Confident | 89.7 | Confident | 196 Ų | 196 | 55.1 Ų | 55.1 | 85% | 0.852 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | -17 | 178.1 | -55.1 | 177.2 | -179.4 | 176.3 | 0 | 116.7 | Y105 G106 | K103-Y105 VanDerWaalsContact C-N 3.32Å; K103-Y105 PolarHBondContact O-N 3.31Å; K103-G106 PolarHBondContact O-N 3.05Å |
| 104 | L | 89.2 | Confident | 89.5 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -43.6 | -173.9 | -173.5 | 61.9 | 0 | 0 | 0 | 113.4 | I84 Y85 V101 P102 A109 | I84-L104 HydrophobicContact CD1-CD2 3.8Å; I84-L104 HydrophobicContact CG1-CD2 4.13Å; Y85-L104 HydrophobicContact CE2-CD2 4.25Å; V101-L104 HydrophobicContact CB-CB 4.12Å; V101-L104 HydrophobicContact CB-CD2 3.84Å; V101-L104 HydrophobicContact CG1-CB 4.08Å; V101-L104 HydrophobicContact CG1-CD2 3.98Å; V101-L104 HydrophobicContact CG2-CD2 4.26Å; P102-L104 PolarHBondContact O-N 2.78Å; L104-A109 VanDerWaalsContact O-CB 3.3Å; L104-A109 WeakPolarHBondContact O-CB 3.4Å |
| 105 | Y | 89.1 | Confident | 88.8 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 13% | 0.129 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 24.4 | 179.2 | -49.6 | -66.5 | 0 | 0 | 0 | 113.6 | I84 Y85 K103 H124 V125 F126 F161 R164 | I84-Y105 WeakPolarHBondContact CD1-OH 3.42Å; Y85-Y105 HydrophobicContact CE2-CE1 4.13Å; Y85-Y105 PolarHBondContact OH-OH 3.2Å; K103-Y105 VanDerWaalsContact C-N 3.32Å; K103-Y105 PolarHBondContact O-N 3.31Å; Y105-H124 AromaticContact CD1-CE1 3.97Å; Y105-H124 AromaticContact CD1-NE2 3.88Å; Y105-H124 AromaticContact CE1-NE2 3.64Å; Y105-V125 HydrophobicContact CE1-CG1 4.14Å; Y105-F126 HydrophobicContact CD1-CZ 4.2Å; Y105-F161 HydrophobicContact CD1-CB 4.49Å; Y105-F161 AromaticContact CD1-CD1 3.84Å; Y105-F161 HydrophobicContact CD1-CD1 3.84Å; Y105-F161 AromaticContact CD1-CD2 3.85Å; Y105-F161 HydrophobicContact CD1-CD2 3.85Å; Y105-F161 AromaticContact CD1-CE1 3.98Å; Y105-F161 HydrophobicContact CD1-CE1 3.98Å; Y105-F161 AromaticContact CD1-CE2 4Å; Y105-F161 HydrophobicContact CD1-CE2 4Å; Y105-F161 AromaticContact CD1-CG 3.8Å; Y105-F161 HydrophobicContact CD1-CG 3.8Å; Y105-F161 HydrophobicContact CD1-CZ 4.06Å; Y105-F161 AromaticContact CD2-CE1 3.87Å; Y105-F161 HydrophobicContact CD2-CE1 3.87Å; Y105-F161 HydrophobicContact CD2-CE2 4.02Å; Y105-F161 AromaticContact CD2-CZ 3.57Å; Y105-F161 HydrophobicContact CD2-CZ 3.57Å; Y105-F161 HydrophobicContact CE1-CD1 4.29Å; Y105-F161 AromaticContact CE1-CD2 3.43Å; Y105-F161 HydrophobicContact CE1-CD2 3.43Å; Y105-F161 VanDerWaalsContact CE1-CD2 3.43Å; Y105-F161 HydrophobicContact CE1-CE1 4.37Å; Y105-F161 AromaticContact CE1-CE2 3.54Å; Y105-F161 HydrophobicContact CE1-CE2 3.54Å; Y105-F161 AromaticContact CE1-CG 3.85Å; Y105-F161 HydrophobicContact CE1-CG 3.85Å; Y105-F161 HydrophobicContact CE1-CZ 4.04Å; Y105-F161 HydrophobicContact CE2-CD2 4.33Å; Y105-F161 HydrophobicContact CE2-CE1 4.27Å; Y105-F161 AromaticContact CE2-CE2 3.57Å; Y105-F161 HydrophobicContact CE2-CE2 3.57Å; Y105-F161 AromaticContact CE2-CZ 3.54Å; Y105-F161 HydrophobicContact CE2-CZ 3.54Å; Y105-F161 AromaticContact CG-CD1 3.98Å; Y105-F161 HydrophobicContact CG-CD1 3.98Å; Y105-F161 HydrophobicContact CG-CD2 4.45Å; Y105-F161 AromaticContact CG-CE1 3.69Å; Y105-F161 HydrophobicContact CG-CE1 3.69Å; Y105-F161 HydrophobicContact CG-CE2 4.21Å; Y105-F161 HydrophobicContact CG-CG 4.38Å; Y105-F161 AromaticContact CG-CZ 3.83Å; Y105-F161 HydrophobicContact CG-CZ 3.83Å; Y105-F161 AromaticContact CZ-CD2 3.68Å; Y105-F161 AromaticContact CZ-CE2 3.29Å; Y105-F161 AromaticContact CZ-CZ 3.77Å; Y105-R164 PolarHBondContact O-NH1 2.86Å |
| 106 | G | 86.8 | Confident | 88.1 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 19% | 0.186 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -72.7 | 162 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K103 D108 A109 I110 | K103-G106 PolarHBondContact O-N 3.05Å; G106-D108 PolarHBondContact O-N 2.79Å; G106-A109 WeakPolarHBondContact O-CB 3.26Å; G106-A109 PolarHBondContact O-N 2.7Å; G106-A109 VanDerWaalsContact O-N 3.12Å; G106-I110 PolarHBondContact O-N 2.89Å |
| 107 | P | 86.8 | Confident | 87.2 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 51% | 0.506 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -29.1 | 178.9 | 27 | -35.1 | 0 | 0 | 0 | 112.6 | I110 K111 | P107-I110 PolarHBondContact O-N 3.45Å; P107-K111 WeakPolarHBondContact O-CG 3.37Å; P107-K111 PolarHBondContact O-N 3.32Å; P107-K111 VanDerWaalsContact O-N 3.09Å |
| 108 | D | 89.5 | Confident | 86.5 | Confident | 109 Ų | 109 | 69.2 Ų | 69.2 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -76 | -27 | 178.4 | -53.4 | -47.7 | 0 | 0 | 0 | 112.3 | G106 K111 S112 | G106-D108 PolarHBondContact O-N 2.79Å; D108-K111 IonicContact OD1-NZ 2.96Å; D108-K111 PolarHBondContact OD1-NZ 3.21Å; D108-S112 WeakPolarHBondContact O-CB 3.39Å; D108-S112 PolarHBondContact O-N 2.79Å |
| 109 | A | 90.3 | Very high | 85.6 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.8 | -42.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L104 G106 K111 S112 Y113 F126 | L104-A109 VanDerWaalsContact O-CB 3.3Å; L104-A109 WeakPolarHBondContact O-CB 3.4Å; G106-A109 WeakPolarHBondContact O-CB 3.26Å; G106-A109 PolarHBondContact O-N 2.7Å; G106-A109 VanDerWaalsContact O-N 3.12Å; A109-K111 VanDerWaalsContact C-N 3.32Å; A109-K111 PolarHBondContact O-N 2.83Å; A109-S112 PolarHBondContact O-N 2.87Å; A109-S112 PolarHBondContact O-OG 3.06Å; A109-Y113 VanDerWaalsContact O-CD2 3.31Å; A109-Y113 WeakPolarHBondContact O-CD2 3.5Å; A109-Y113 PolarHBondContact O-N 2.86Å; A109-F126 HydrophobicContact CB-CD2 4.42Å; A109-F126 HydrophobicContact CB-CE2 4.04Å |
| 110 | I | 90.5 | Very high | 84.9 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 173.6 | -64 | 175.3 | 0 | 0 | 0 | 110.3 | G106 P107 S112 F126 Y165 T169 | G106-I110 PolarHBondContact O-N 2.89Å; P107-I110 PolarHBondContact O-N 3.45Å; I110-S112 PolarHBondContact O-N 2.71Å; I110-F126 HydrophobicContact CB-CE2 4.4Å; I110-F126 HydrophobicContact CD1-CZ 4.3Å; I110-F126 HydrophobicContact CG1-CD2 4.11Å; I110-F126 HydrophobicContact CG1-CE1 4.39Å; I110-F126 HydrophobicContact CG1-CE2 3.46Å; I110-F126 VanDerWaalsContact CG1-CE2 3.46Å; I110-F126 HydrophobicContact CG1-CZ 3.63Å; I110-Y165 HydrophobicContact CB-CD2 4.38Å; I110-Y165 HydrophobicContact CG1-CD2 4.36Å; I110-Y165 HydrophobicContact CG2-CD2 3.88Å; I110-Y165 HydrophobicContact CG2-CE2 4.04Å; I110-Y165 WeakPolarHBondContact O-CE2 2.98Å; I110-T169 VanDerWaalsContact CG2-OG1 3.26Å; I110-T169 WeakPolarHBondContact CG2-OG1 3.02Å |
| 111 | K | 89.9 | Confident | 84.8 | Confident | 132 Ų | 132 | 65 Ų | 65 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 176.4 | -66 | 168.7 | -166.8 | 160.6 | 0 | 113.3 | P107 D108 A109 Q114 | P107-K111 WeakPolarHBondContact O-CG 3.37Å; P107-K111 PolarHBondContact O-N 3.32Å; P107-K111 VanDerWaalsContact O-N 3.09Å; D108-K111 IonicContact OD1-NZ 2.96Å; D108-K111 PolarHBondContact OD1-NZ 3.21Å; A109-K111 VanDerWaalsContact C-N 3.32Å; A109-K111 PolarHBondContact O-N 2.83Å; K111-Q114 WeakPolarHBondContact O-CB 3.44Å; K111-Q114 PolarHBondContact O-N 2.87Å |
| 112 | S | 91.6 | Very high | 84.8 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70 | -35.7 | -174.5 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | D108 A109 I110 Q114 K116 L121 | D108-S112 WeakPolarHBondContact O-CB 3.39Å; D108-S112 PolarHBondContact O-N 2.79Å; A109-S112 PolarHBondContact O-N 2.87Å; A109-S112 PolarHBondContact O-OG 3.06Å; I110-S112 PolarHBondContact O-N 2.71Å; S112-Q114 VanDerWaalsContact C-N 3.34Å; S112-K116 WeakPolarHBondContact O-CE 3.35Å; S112-K116 WeakPolarHBondContact O-CG 2.83Å; S112-L121 WeakPolarHBondContact O-CD1 3.08Å |
| 113 | Y | 91.3 | Very high | 85 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78.2 | -12.7 | 177.1 | -76.8 | -81.2 | 0 | 0 | 0 | 114.2 | A109 G115 K116 L121 P122 H124 F126 A127 | A109-Y113 VanDerWaalsContact O-CD2 3.31Å; A109-Y113 WeakPolarHBondContact O-CD2 3.5Å; A109-Y113 PolarHBondContact O-N 2.86Å; Y113-G115 PolarHBondContact O-N 3.47Å; Y113-K116 WeakPolarHBondContact O-CB 3.5Å; Y113-K116 WeakPolarHBondContact O-CG 3.42Å; Y113-K116 PolarHBondContact O-N 2.88Å; Y113-K116 VanDerWaalsContact O-N 3.16Å; Y113-L121 HydrophobicContact CD1-CB 4.05Å; Y113-L121 HydrophobicContact CD1-CD1 3.68Å; Y113-L121 HydrophobicContact CD2-CD1 4.45Å; Y113-L121 HydrophobicContact CE1-CB 3.43Å; Y113-L121 VanDerWaalsContact CE1-CB 3.43Å; Y113-L121 HydrophobicContact CE1-CD1 3.77Å; Y113-L121 HydrophobicContact CE1-CG 4.27Å; Y113-L121 HydrophobicContact CG-CD1 4.02Å; Y113-P122 WeakPolarHBondContact CE1-O 3.48Å; Y113-P122 PolarHBondContact OH-O 3.12Å; Y113-P122 VanDerWaalsContact OH-O 3.04Å; Y113-H124 HydrophobicContact CE1-CB 3.81Å; Y113-H124 HydrophobicContact CE2-CB 3.88Å; Y113-H124 AromaticContact CE2-CG 3.99Å; Y113-H124 AromaticContact CE2-ND1 3.99Å; Y113-H124 VanDerWaalsContact CZ-CB 3.49Å; Y113-F126 HydrophobicContact CD2-CB 4.18Å; Y113-F126 HydrophobicContact CD2-CD2 4.17Å; Y113-F126 HydrophobicContact CG-CB 4.09Å; Y113-A127 HydrophobicContact CD1-CB 3.85Å; Y113-A127 HydrophobicContact CE1-CB 4.15Å |
| 114 | Q | 91.1 | Very high | 85.5 | Confident | 99 Ų | 99 | 53.3 Ų | 53.3 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 118.3 | -176.4 | -168.2 | 177.5 | 27.9 | 0 | 0 | 113 | K111 S112 K116 Y165 T169 | K111-Q114 WeakPolarHBondContact O-CB 3.44Å; K111-Q114 PolarHBondContact O-N 2.87Å; S112-Q114 VanDerWaalsContact C-N 3.34Å; Q114-K116 PolarHBondContact O-N 2.9Å; Q114-Y165 VanDerWaalsContact CA-OH 3.29Å; Q114-Y165 WeakPolarHBondContact CA-OH 3.39Å; Q114-Y165 PolarHBondContact N-OH 3.21Å; Q114-T169 HydrophobicContact CB-CG2 4.26Å; Q114-T169 HydrophobicContact CG-CG2 3.6Å; Q114-T169 VanDerWaalsContact NE2-CG2 3.26Å |
| 115 | G | 81.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 54% | 0.536 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 13.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y113 D130 | Y113-G115 PolarHBondContact O-N 3.47Å; G115-D130 PolarHBondContact N-OD1 3.41Å; G115-D130 PolarHBondContact N-OD2 2.99Å |
| 116 | K | 81.1 | Confident | 86.1 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -85 | 138.2 | -177.6 | -58.1 | -62.7 | -178.2 | 175.5 | 0 | 111.4 | S112 Y113 Q114 L121 D130 R134 | S112-K116 WeakPolarHBondContact O-CE 3.35Å; S112-K116 WeakPolarHBondContact O-CG 2.83Å; Y113-K116 WeakPolarHBondContact O-CB 3.5Å; Y113-K116 WeakPolarHBondContact O-CG 3.42Å; Y113-K116 PolarHBondContact O-N 2.88Å; Y113-K116 VanDerWaalsContact O-N 3.16Å; Q114-K116 PolarHBondContact O-N 2.9Å; K116-L121 HydrophobicContact CB-CD1 4.37Å; K116-L121 HydrophobicContact CG-CD1 3.87Å; K116-L121 HydrophobicContact CG-CG 4.47Å; K116-D130 PolarHBondContact N-OD2 2.87Å; K116-R134 PolarHBondContact O-NH2 3.41Å |
| 117 | S | 74.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 49 Ų | 49 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 145.3 | 172.8 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | G119 T120 | S117-G119 PolarHBondContact O-N 2.93Å; S117-T120 WeakPolarHBondContact O-CB 3.32Å; S117-T120 PolarHBondContact O-N 2.91Å; S117-T120 VanDerWaalsContact O-N 3.1Å; S117-T120 PolarHBondContact O-OG1 3.42Å |
| 118 | L | 76.3 | Confident | 86.7 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 135.8 | 175.4 | -162.7 | 73.8 | 0 | 0 | 0 | 110 | Y87 A89 T120 A127 I128 K131 | Y87-L118 HydrophobicContact CD1-CD1 4.44Å; Y87-L118 HydrophobicContact CE1-CD1 3.64Å; Y87-L118 HydrophobicContact CE1-CG 4.42Å; Y87-L118 HydrophobicContact CE2-CD1 4.31Å; A89-L118 WeakPolarHBondContact O-CD2 3.24Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 2.94Å; L118-A127 HydrophobicContact CD1-CB 4.2Å; L118-I128 HydrophobicContact CD1-CD1 4.2Å; L118-K131 HydrophobicContact CD2-CD 4.39Å |
| 119 | G | 67.5 | Low | 86.9 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 56% | 0.557 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 0.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S117 | S117-G119 PolarHBondContact O-N 2.93Š|
| 120 | T | 73.4 | Confident | 87 | Confident | 70 Ų | 70 | 39.3 Ų | 39.3 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -87.5 | -11.7 | 171 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | S117 L118 | S117-T120 WeakPolarHBondContact O-CB 3.32Å; S117-T120 PolarHBondContact O-N 2.91Å; S117-T120 VanDerWaalsContact O-N 3.1Å; S117-T120 PolarHBondContact O-OG1 3.42Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 2.94Å |
| 121 | L | 82.6 | Confident | 87 | Confident | 55 Ų | 55 | 40.4 Ų | 40.4 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -133.5 | 163.3 | 169.9 | -73.3 | -178.4 | 0 | 0 | 0 | 108.3 | S112 Y113 K116 | S112-L121 WeakPolarHBondContact O-CD1 3.08Å; Y113-L121 HydrophobicContact CD1-CB 4.05Å; Y113-L121 HydrophobicContact CD1-CD1 3.68Å; Y113-L121 HydrophobicContact CD2-CD1 4.45Å; Y113-L121 HydrophobicContact CE1-CB 3.43Å; Y113-L121 VanDerWaalsContact CE1-CB 3.43Å; Y113-L121 HydrophobicContact CE1-CD1 3.77Å; Y113-L121 HydrophobicContact CE1-CG 4.27Å; Y113-L121 HydrophobicContact CG-CD1 4.02Å; K116-L121 HydrophobicContact CB-CD1 4.37Å; K116-L121 HydrophobicContact CG-CD1 3.87Å; K116-L121 HydrophobicContact CG-CG 4.47Å |
| 122 | P | 86.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 34.1 Ų | 34.1 | 42% | 0.422 | 21% | 0.211 | S | C | . | . | trans | -54.7 | 164.7 | 177.6 | -27.5 | 36.5 | 0 | 0 | 0 | 113.9 | Y113 H124 | Y113-P122 WeakPolarHBondContact CE1-O 3.48Å; Y113-P122 PolarHBondContact OH-O 3.12Å; Y113-P122 VanDerWaalsContact OH-O 3.04Å; P122-H124 PolarHBondContact O-N 3.1Å | ||
| 123 | P | 92.1 | Very high | 87.2 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | trans | -64.1 | 127.8 | -178.6 | -22.7 | 34.7 | 0 | 0 | 0 | 112 | D58 Y85 Y87 L92 | D58-P123 HydrophobicContact CB-CG 3.68Å; D58-P123 WeakPolarHBondContact O-CG 3.45Å; D58-P123 VanDerWaalsContact OD1-CD 3.23Å; D58-P123 WeakPolarHBondContact OD1-CD 3.45Å; Y85-P123 WeakPolarHBondContact CB-O 3.48Å; Y85-P123 WeakPolarHBondContact O-CB 3.49Å; Y87-P123 HydrophobicContact CD1-CB 4.39Å; Y87-P123 HydrophobicContact CD2-CB 3.9Å; Y87-P123 HydrophobicContact CD2-CG 3.73Å; Y87-P123 HydrophobicContact CE1-CB 4.28Å; Y87-P123 VanDerWaalsContact CE2-CA 3.5Å; Y87-P123 HydrophobicContact CE2-CB 3.79Å; Y87-P123 HydrophobicContact CE2-CG 3.85Å; Y87-P123 HydrophobicContact CG-CB 4.19Å; Y87-P123 HydrophobicContact CG-CG 4.33Å; L92-P123 HydrophobicContact CD1-CB 4.21Å | ||
| 124 | H | 94.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -155.3 | 150 | 179 | -156.5 | -116.5 | 0 | 0 | 0 | 112.8 | Y85 Y87 Y105 Y113 P122 F126 A127 | Y85-H124 AromaticContact CD2-CD2 3.49Å; Y85-H124 VanDerWaalsContact CD2-CD2 3.49Å; Y85-H124 WeakPolarHBondContact CD2-CD2 3.47Å; Y85-H124 AromaticContact CE2-CD2 3.47Å; Y85-H124 VanDerWaalsContact CE2-CD2 3.47Å; Y85-H124 WeakPolarHBondContact CE2-CD2 3.46Å; Y85-H124 AromaticContact CE2-NE2 3.64Å; Y87-H124 PolarHBondContact OH-N 3.3Å; Y105-H124 AromaticContact CD1-CE1 3.97Å; Y105-H124 AromaticContact CD1-NE2 3.88Å; Y105-H124 AromaticContact CE1-NE2 3.64Å; Y113-H124 HydrophobicContact CE1-CB 3.81Å; Y113-H124 HydrophobicContact CE2-CB 3.88Å; Y113-H124 AromaticContact CE2-CG 3.99Å; Y113-H124 AromaticContact CE2-ND1 3.99Å; Y113-H124 VanDerWaalsContact CZ-CB 3.49Å; P122-H124 PolarHBondContact O-N 3.1Å; H124-F126 AromaticContact CE1-CD1 3.94Å; H124-F126 AromaticContact CE1-CD2 3.35Å; H124-F126 WeakPolarHBondContact CE1-CD2 3.24Å; H124-F126 AromaticContact CE1-CE2 3.5Å; H124-F126 AromaticContact CE1-CG 3.57Å; H124-F126 AromaticContact CE1-CZ 3.88Å; H124-F126 WeakPolarHBondContact ND1-CB 3.34Å; H124-F126 AromaticContact ND1-CD1 3.94Å; H124-F126 AromaticContact ND1-CD2 3.25Å; H124-F126 WeakPolarHBondContact ND1-CD2 3.45Å; H124-F126 AromaticContact ND1-CE2 3.92Å; H124-F126 AromaticContact ND1-CG 3.24Å; H124-F126 WeakPolarHBondContact ND1-CG 3.31Å; H124-F126 PolarHBondContact ND1-N 2.79Å; H124-F126 PolarHBondContact O-N 3.42Å; H124-A127 WeakPolarHBondContact O-CB 3.32Å; H124-A127 PolarHBondContact O-N 2.8Å; H124-A127 VanDerWaalsContact O-N 3.09Å | ||
| 125 | V | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.9 | -36.5 | 174.4 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | Y85 L92 Y105 A127 I128 A129 F161 V162 I665 | Y85-V125 HydrophobicContact CE1-CB 4.12Å; Y85-V125 HydrophobicContact CE2-CG1 4.25Å; Y85-V125 WeakPolarHBondContact OH-CB 3.49Å; Y85-V125 VanDerWaalsContact OH-CG1 3.28Å; Y85-V125 WeakPolarHBondContact OH-CG1 3.45Å; L92-V125 HydrophobicContact CD2-CB 4.19Å; Y105-V125 HydrophobicContact CE1-CG1 4.14Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.01Å; V125-I128 PolarHBondContact O-N 3.34Å; V125-A129 PolarHBondContact O-N 3.37Å; V125-F161 HydrophobicContact CG1-CB 3.88Å; V125-F161 HydrophobicContact CG2-CB 4.4Å; V125-V162 HydrophobicContact CG2-CG2 3.37Å; V125-I665 HydrophobicContact CG2-CD1 4.04Å |
| 126 | F | 94.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -34 | 176.8 | -62.8 | -15.7 | 0 | 0 | 0 | 113.1 | Y105 A109 I110 Y113 H124 I128 A129 D130 F161 Y165 | Y105-F126 HydrophobicContact CD1-CZ 4.2Å; A109-F126 HydrophobicContact CB-CD2 4.42Å; A109-F126 HydrophobicContact CB-CE2 4.04Å; I110-F126 HydrophobicContact CB-CE2 4.4Å; I110-F126 HydrophobicContact CD1-CZ 4.3Å; I110-F126 HydrophobicContact CG1-CD2 4.11Å; I110-F126 HydrophobicContact CG1-CE1 4.39Å; I110-F126 HydrophobicContact CG1-CE2 3.46Å; I110-F126 VanDerWaalsContact CG1-CE2 3.46Å; I110-F126 HydrophobicContact CG1-CZ 3.63Å; Y113-F126 HydrophobicContact CD2-CB 4.18Å; Y113-F126 HydrophobicContact CD2-CD2 4.17Å; Y113-F126 HydrophobicContact CG-CB 4.09Å; H124-F126 AromaticContact CE1-CD1 3.94Å; H124-F126 AromaticContact CE1-CD2 3.35Å; H124-F126 WeakPolarHBondContact CE1-CD2 3.24Å; H124-F126 AromaticContact CE1-CE2 3.5Å; H124-F126 AromaticContact CE1-CG 3.57Å; H124-F126 AromaticContact CE1-CZ 3.88Å; H124-F126 WeakPolarHBondContact ND1-CB 3.34Å; H124-F126 AromaticContact ND1-CD1 3.94Å; H124-F126 AromaticContact ND1-CD2 3.25Å; H124-F126 WeakPolarHBondContact ND1-CD2 3.45Å; H124-F126 AromaticContact ND1-CE2 3.92Å; H124-F126 AromaticContact ND1-CG 3.24Å; H124-F126 WeakPolarHBondContact ND1-CG 3.31Å; H124-F126 PolarHBondContact ND1-N 2.79Å; H124-F126 PolarHBondContact O-N 3.42Å; F126-I128 VanDerWaalsContact C-N 3.33Å; F126-I128 PolarHBondContact O-N 3.12Å; F126-A129 PolarHBondContact O-N 2.96Å; F126-D130 WeakPolarHBondContact O-CB 3.32Å; F126-D130 PolarHBondContact O-N 3.08Å; F126-F161 HydrophobicContact CE1-CB 4.16Å; F126-Y165 HydrophobicContact CB-CD2 3.49Å; F126-Y165 VanDerWaalsContact CB-CD2 3.49Å; F126-Y165 HydrophobicContact CB-CE2 3.69Å; F126-Y165 HydrophobicContact CB-CG 4.13Å; F126-Y165 AromaticContact CD1-CD2 3.65Å; F126-Y165 HydrophobicContact CD1-CD2 3.65Å; F126-Y165 AromaticContact CD1-CG 3.95Å; F126-Y165 HydrophobicContact CD1-CG 3.95Å; F126-Y165 AromaticContact CD2-CD2 3.99Å; F126-Y165 HydrophobicContact CD2-CD2 3.99Å; F126-Y165 HydrophobicContact CD2-CE2 4.43Å; F126-Y165 HydrophobicContact CE1-CD2 4.38Å; F126-Y165 AromaticContact CG-CD2 3.44Å; F126-Y165 HydrophobicContact CG-CD2 3.44Å; F126-Y165 VanDerWaalsContact CG-CD2 3.44Å; F126-Y165 HydrophobicContact CG-CE2 4.05Å; F126-Y165 HydrophobicContact CG-CG 4.14Å |
| 127 | A | 91.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.8 | -29.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y87 Y113 L118 H124 V125 K131 | Y87-A127 WeakPolarHBondContact OH-CB 3.45Å; Y113-A127 HydrophobicContact CD1-CB 3.85Å; Y113-A127 HydrophobicContact CE1-CB 4.15Å; L118-A127 HydrophobicContact CD1-CB 4.2Å; H124-A127 WeakPolarHBondContact O-CB 3.32Å; H124-A127 PolarHBondContact O-N 2.8Å; H124-A127 VanDerWaalsContact O-N 3.09Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.01Å; A127-K131 WeakPolarHBondContact O-CB 3.32Å; A127-K131 PolarHBondContact O-N 2.97Å |
| 128 | I | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.5 | -39.9 | 172.2 | -59.2 | -60.1 | 0 | 0 | 0 | 110.7 | Y87 L92 L118 V125 F126 K131 A132 I145 I665 | Y87-I128 HydrophobicContact CE1-CD1 4.12Å; L92-I128 HydrophobicContact CB-CD1 4.13Å; L92-I128 HydrophobicContact CB-CG1 3.82Å; L92-I128 HydrophobicContact CD2-CG1 3.87Å; L92-I128 HydrophobicContact CG-CG1 4.42Å; L118-I128 HydrophobicContact CD1-CD1 4.2Å; V125-I128 PolarHBondContact O-N 3.34Å; F126-I128 VanDerWaalsContact C-N 3.33Å; F126-I128 PolarHBondContact O-N 3.12Å; I128-K131 PolarHBondContact O-N 3.14Å; I128-A132 WeakPolarHBondContact O-CB 3.42Å; I128-A132 PolarHBondContact O-N 2.87Å; I128-I145 HydrophobicContact CG2-CG2 4.43Å; I128-I665 HydrophobicContact CG2-CD1 4.39Å; I128-I665 HydrophobicContact CG2-CG1 4.34Å |
| 129 | A | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V125 F126 A132 Y133 V162 Y165 L166 | V125-A129 PolarHBondContact O-N 3.37Å; F126-A129 PolarHBondContact O-N 2.96Å; A129-A132 PolarHBondContact O-N 2.96Å; A129-Y133 PolarHBondContact O-N 2.8Å; A129-V162 HydrophobicContact CB-CG1 4.22Å; A129-Y165 HydrophobicContact CB-CD1 3.47Å; A129-Y165 VanDerWaalsContact CB-CD1 3.47Å; A129-Y165 HydrophobicContact CB-CE1 4.18Å; A129-Y165 HydrophobicContact CB-CG 4.06Å; A129-L166 HydrophobicContact CB-CD2 4.18Å; A129-L166 HydrophobicContact CB-CG 4.31Å |
| 130 | D | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 174 | -167.6 | 82.3 | 0 | 0 | 0 | 112 | G115 K116 F126 Y133 R134 Y165 Y170 | G115-D130 PolarHBondContact N-OD1 3.41Å; G115-D130 PolarHBondContact N-OD2 2.99Å; K116-D130 PolarHBondContact N-OD2 2.87Å; F126-D130 WeakPolarHBondContact O-CB 3.32Å; F126-D130 PolarHBondContact O-N 3.08Å; D130-Y133 PolarHBondContact O-N 3.29Å; D130-R134 PolarHBondContact O-N 3.12Å; D130-R134 IonicContact OD2-CZ 3.47Å; D130-R134 VanDerWaalsContact OD2-CZ 3.31Å; D130-R134 IonicContact OD2-NE 2.69Å; D130-R134 PolarHBondContact OD2-NE 3.12Å; D130-R134 IonicContact OD2-NH2 3.81Å; D130-R134 PolarHBondContact OD2-NH2 2.97Å; D130-Y165 HydrophobicContact CB-CE1 3.82Å; D130-Y165 WeakPolarHBondContact CB-OH 3.43Å; D130-Y165 PolarHBondContact OD1-OH 3.02Å; D130-Y170 PolarHBondContact OD1-OH 3.1Å |
| 131 | K | 89.9 | Confident | 90.5 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -50.5 | 172.8 | 178.3 | -171.6 | 168.3 | -62.2 | 0 | 111.1 | L118 A127 I128 Y133 R134 D135 S663 | L118-K131 HydrophobicContact CD2-CD 4.39Å; A127-K131 WeakPolarHBondContact O-CB 3.32Å; A127-K131 PolarHBondContact O-N 2.97Å; I128-K131 PolarHBondContact O-N 3.14Å; K131-Y133 VanDerWaalsContact C-N 3.3Å; K131-Y133 PolarHBondContact O-N 2.75Å; K131-R134 PolarHBondContact O-N 2.92Å; K131-D135 WeakPolarHBondContact CE-OD2 3.48Å; K131-D135 WeakPolarHBondContact CG-OD2 3.24Å; K131-D135 IonicContact NZ-OD2 3.86Å; K131-D135 PolarHBondContact NZ-OD2 3.08Å; K131-D135 WeakPolarHBondContact O-CB 3.44Å; K131-D135 PolarHBondContact O-N 3.03Å; K131-S663 PolarHBondContact NZ-OG 2.83Å |
| 132 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I128 A129 D135 M136 Q143 I145 I450 | I128-A132 WeakPolarHBondContact O-CB 3.42Å; I128-A132 PolarHBondContact O-N 2.87Å; A129-A132 PolarHBondContact O-N 2.96Å; A132-D135 PolarHBondContact O-N 2.89Å; A132-M136 WeakPolarHBondContact O-CB 3.16Å; A132-M136 PolarHBondContact O-N 2.96Å; A132-Q143 HydrophobicContact CB-CB 4.36Å; A132-Q143 WeakPolarHBondContact O-CG 3.23Å; A132-I145 HydrophobicContact CB-CD1 3.83Å; A132-I145 HydrophobicContact CB-CG1 4.06Å; A132-I450 HydrophobicContact CB-CG2 4.3Å |
| 133 | Y | 92.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 175.6 | 175.7 | -97.7 | 0 | 0 | 0 | 113.2 | A129 D130 K131 M136 K137 Y170 F212 N216 I450 | A129-Y133 PolarHBondContact O-N 2.8Å; D130-Y133 PolarHBondContact O-N 3.29Å; K131-Y133 VanDerWaalsContact C-N 3.3Å; K131-Y133 PolarHBondContact O-N 2.75Å; Y133-M136 HydrophobicContact CD2-CE 3.78Å; Y133-M136 HydrophobicContact CE2-CE 3.95Å; Y133-K137 HydrophobicContact CE1-CD 4.31Å; Y133-K137 WeakPolarHBondContact O-CB 3.21Å; Y133-K137 PolarHBondContact O-N 3.36Å; Y133-Y170 HydrophobicContact CD1-CD1 4.07Å; Y133-Y170 HydrophobicContact CD1-CD2 4.18Å; Y133-Y170 AromaticContact CD1-CE1 3.48Å; Y133-Y170 HydrophobicContact CD1-CE1 3.48Å; Y133-Y170 VanDerWaalsContact CD1-CE1 3.48Å; Y133-Y170 AromaticContact CD1-CE2 3.6Å; Y133-Y170 HydrophobicContact CD1-CE2 3.6Å; Y133-Y170 HydrophobicContact CD1-CG 4.39Å; Y133-Y170 AromaticContact CD1-CZ 3.2Å; Y133-Y170 WeakPolarHBondContact CD1-OH 3.21Å; Y133-Y170 HydrophobicContact CD2-CD1 4.43Å; Y133-Y170 AromaticContact CD2-CD2 3.63Å; Y133-Y170 HydrophobicContact CD2-CD2 3.63Å; Y133-Y170 AromaticContact CD2-CE2 3.74Å; Y133-Y170 HydrophobicContact CD2-CE2 3.74Å; Y133-Y170 AromaticContact CD2-CG 3.99Å; Y133-Y170 HydrophobicContact CD2-CG 3.99Å; Y133-Y170 AromaticContact CE1-CD1 3.62Å; Y133-Y170 HydrophobicContact CE1-CD1 3.62Å; Y133-Y170 HydrophobicContact CE1-CD2 4.4Å; Y133-Y170 AromaticContact CE1-CE1 3.32Å; Y133-Y170 HydrophobicContact CE1-CE1 3.32Å; Y133-Y170 HydrophobicContact CE1-CE2 4.16Å; Y133-Y170 HydrophobicContact CE1-CG 4.15Å; Y133-Y170 AromaticContact CE1-CZ 3.62Å; Y133-Y170 HydrophobicContact CE2-CD1 4.04Å; Y133-Y170 AromaticContact CE2-CD2 3.92Å; Y133-Y170 HydrophobicContact CE2-CD2 3.92Å; Y133-Y170 HydrophobicContact CE2-CE1 4.43Å; Y133-Y170 HydrophobicContact CE2-CE2 4.3Å; Y133-Y170 AromaticContact CE2-CG 3.76Å; Y133-Y170 HydrophobicContact CE2-CG 3.76Å; Y133-Y170 HydrophobicContact CG-CD1 4.44Å; Y133-Y170 AromaticContact CG-CD2 3.77Å; Y133-Y170 HydrophobicContact CG-CD2 3.77Å; Y133-Y170 HydrophobicContact CG-CE1 4.09Å; Y133-Y170 AromaticContact CG-CE2 3.35Å; Y133-Y170 HydrophobicContact CG-CE2 3.35Å; Y133-Y170 HydrophobicContact CG-CG 4.29Å; Y133-Y170 AromaticContact CG-CZ 3.52Å; Y133-Y170 AromaticContact CZ-CD1 3.59Å; Y133-Y170 AromaticContact CZ-CE1 3.83Å; Y133-Y170 AromaticContact CZ-CG 3.83Å; Y133-F212 HydrophobicContact CD2-CD1 4.41Å; Y133-F212 AromaticContact CD2-CE1 3.8Å; Y133-F212 HydrophobicContact CD2-CE1 3.8Å; Y133-F212 HydrophobicContact CD2-CZ 4.18Å; Y133-F212 HydrophobicContact CE2-CD1 4.08Å; Y133-F212 AromaticContact CE2-CE1 3.79Å; Y133-F212 HydrophobicContact CE2-CE1 3.79Å; Y133-N216 HydrophobicContact CE2-CB 4.14Å; Y133-N216 VanDerWaalsContact CE2-O 3.28Å; Y133-N216 WeakPolarHBondContact CE2-O 3.27Å; Y133-N216 PolarHBondContact OH-O 2.96Å; Y133-I450 HydrophobicContact CD2-CD1 4.35Å |
| 134 | R | 89.3 | Confident | 91.7 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.9 | -77.4 | -172.8 | -77.7 | 90.4 | 1.6 | 112.1 | K116 D130 K131 K137 V138 | K116-R134 PolarHBondContact O-NH2 3.41Å; D130-R134 PolarHBondContact O-N 3.12Å; D130-R134 IonicContact OD2-CZ 3.47Å; D130-R134 VanDerWaalsContact OD2-CZ 3.31Å; D130-R134 IonicContact OD2-NE 2.69Å; D130-R134 PolarHBondContact OD2-NE 3.12Å; D130-R134 IonicContact OD2-NH2 3.81Å; D130-R134 PolarHBondContact OD2-NH2 2.97Å; K131-R134 PolarHBondContact O-N 2.92Å; R134-K137 PolarHBondContact O-N 2.81Å; R134-V138 WeakPolarHBondContact O-CB 3.31Å; R134-V138 WeakPolarHBondContact O-CG2 3.4Å; R134-V138 PolarHBondContact O-N 2.88Å |
| 135 | D | 88.9 | Confident | 91.8 | Very high | 41 Ų | 41 | 31.2 Ų | 31.2 | 22% | 0.219 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 179 | -68.5 | -5.1 | 0 | 0 | 0 | 110.6 | K131 A132 K137 V138 L139 | K131-D135 WeakPolarHBondContact CE-OD2 3.48Å; K131-D135 WeakPolarHBondContact CG-OD2 3.24Å; K131-D135 IonicContact NZ-OD2 3.86Å; K131-D135 PolarHBondContact NZ-OD2 3.08Å; K131-D135 WeakPolarHBondContact O-CB 3.44Å; K131-D135 PolarHBondContact O-N 3.03Å; A132-D135 PolarHBondContact O-N 2.89Å; D135-K137 PolarHBondContact O-N 3.05Å; D135-V138 PolarHBondContact O-N 2.88Å; D135-L139 HydrophobicContact CB-CD1 4.29Å; D135-L139 WeakPolarHBondContact O-CB 3.09Å; D135-L139 VanDerWaalsContact O-CG 3.25Å; D135-L139 WeakPolarHBondContact O-CG 3.29Å; D135-L139 PolarHBondContact O-N 3.3Å |
| 136 | M | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.3 | -48.8 | 171.6 | -176.8 | -168.4 | 65.3 | 0 | 0 | 111.7 | A132 Y133 V138 K140 M141 Q143 F212 N448 I450 | A132-M136 WeakPolarHBondContact O-CB 3.16Å; A132-M136 PolarHBondContact O-N 2.96Å; Y133-M136 HydrophobicContact CD2-CE 3.78Å; Y133-M136 HydrophobicContact CE2-CE 3.95Å; M136-V138 PolarHBondContact O-N 2.91Å; M136-K140 WeakPolarHBondContact O-CA 3.26Å; M136-K140 PolarHBondContact O-N 3.48Å; M136-M141 WeakPolarHBondContact CA-O 3.29Å; M136-Q143 HydrophobicContact CB-CG 3.78Å; M136-F212 HydrophobicContact CE-CB 4Å; M136-F212 HydrophobicContact CE-CD1 3.91Å; M136-F212 HydrophobicContact CE-CD2 3.77Å; M136-F212 HydrophobicContact CE-CE1 4.29Å; M136-F212 HydrophobicContact CE-CE2 4.19Å; M136-F212 HydrophobicContact CE-CG 3.63Å; M136-F212 HydrophobicContact CE-CZ 4.43Å; M136-F212 HydrophobicContact SD-CB 4.28Å; M136-F212 HydrophobicContact SD-CD2 3.66Å; M136-F212 HydrophobicContact SD-CE2 4.19Å; M136-F212 HydrophobicContact SD-CG 4.04Å; M136-N448 HydrophobicContact CG-CB 3.85Å; M136-N448 HydrophobicContact SD-CB 3.7Å; M136-I450 HydrophobicContact CE-CD1 4.27Å; M136-I450 HydrophobicContact CE-CG1 4.49Å; M136-I450 HydrophobicContact SD-CD1 4.12Å; M136-I450 HydrophobicContact SD-CG1 3.71Å |
| 137 | K | 88.4 | Confident | 91.5 | Very high | 100 Ų | 100 | 31.5 Ų | 31.5 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.7 | -36.2 | -176.2 | -179.5 | 171.2 | -179.9 | 175.9 | 0 | 113 | Y133 R134 D135 K140 N216 | Y133-K137 HydrophobicContact CE1-CD 4.31Å; Y133-K137 WeakPolarHBondContact O-CB 3.21Å; Y133-K137 PolarHBondContact O-N 3.36Å; R134-K137 PolarHBondContact O-N 2.81Å; D135-K137 PolarHBondContact O-N 3.05Å; K137-K140 WeakPolarHBondContact O-CE 3.14Å; K137-K140 PolarHBondContact O-NZ 3.49Å; K137-N216 HydrophobicContact CD-CB 4.47Å |
| 138 | V | 84.3 | Confident | 91.4 | Very high | 86 Ų | 86 | 31.6 Ų | 31.6 | 52% | 0.521 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -82.6 | -49.8 | 179.8 | 173 | 0 | 0 | 0 | 0 | 111.6 | R134 D135 M136 K140 | R134-V138 WeakPolarHBondContact O-CB 3.31Å; R134-V138 WeakPolarHBondContact O-CG2 3.4Å; R134-V138 PolarHBondContact O-N 2.88Å; D135-V138 PolarHBondContact O-N 2.88Å; M136-V138 PolarHBondContact O-N 2.91Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 2.95Å |
| 139 | L | 83.9 | Confident | 91 | Very high | 97 Ų | 97 | 32.6 Ų | 32.6 | 51% | 0.508 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -79.1 | -14.7 | -174.8 | -58 | 174.6 | 0 | 0 | 0 | 113.4 | D135 M141 | D135-L139 HydrophobicContact CB-CD1 4.29Å; D135-L139 WeakPolarHBondContact O-CB 3.09Å; D135-L139 VanDerWaalsContact O-CG 3.25Å; D135-L139 WeakPolarHBondContact O-CG 3.29Å; D135-L139 PolarHBondContact O-N 3.3Å; L139-M141 HydrophobicContact CB-CB 4.33Å; L139-M141 HydrophobicContact CD1-CE 4.11Å; L139-M141 PolarHBondContact O-N 2.83Å |
| 140 | K | 87 | Confident | 90.4 | Very high | 116 Ų | 116 | 34.5 Ų | 34.5 | 50% | 0.504 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.6 | -174.6 | -61.3 | -56.5 | -173.9 | -177.9 | 0 | 112.7 | M136 K137 V138 N216 | M136-K140 WeakPolarHBondContact O-CA 3.26Å; M136-K140 PolarHBondContact O-N 3.48Å; K137-K140 WeakPolarHBondContact O-CE 3.14Å; K137-K140 PolarHBondContact O-NZ 3.49Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 2.95Å; K140-N216 PolarHBondContact NZ-OD1 3.25Å; K140-N216 VanDerWaalsContact NZ-OD1 3.08Å |
| 141 | M | 91.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 34.9 Ų | 34.9 | 34% | 0.335 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -141.9 | 132.5 | -177.3 | 178.9 | -177.7 | 63.9 | 0 | 0 | 108.8 | M136 L139 Q143 N448 | M136-M141 WeakPolarHBondContact CA-O 3.29Å; L139-M141 HydrophobicContact CB-CB 4.33Å; L139-M141 HydrophobicContact CD1-CE 4.11Å; L139-M141 PolarHBondContact O-N 2.83Å; M141-Q143 PolarHBondContact O-NE2 2.77Å; M141-N448 VanDerWaalsContact C-OD1 3.31Å; M141-N448 WeakPolarHBondContact CA-OD1 3.31Å; M141-N448 PolarHBondContact N-OD1 3.2Å |
| 142 | S | 95.3 | Very high | 89.1 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | trans | -53.8 | 152.4 | 173.5 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | N448 F449 T660 G661 | S142-N448 PolarHBondContact N-OD1 2.83Å; S142-F449 CarbonylContact C-O 3.59Å; S142-F449 WeakPolarHBondContact CA-O 3.24Å; S142-F449 VanDerWaalsContact CB-O 3.24Å; S142-F449 WeakPolarHBondContact CB-O 3.44Å; S142-F449 WeakPolarHBondContact OG-CD1 2.87Å; S142-F449 WeakPolarHBondContact OG-CE1 3.27Å; S142-F449 PolarHBondContact OG-N 3.47Å; S142-T660 VanDerWaalsContact O-CA 3.29Å; S142-T660 WeakPolarHBondContact O-CA 3.26Å; S142-T660 VanDerWaalsContact O-CB 3.31Å; S142-T660 WeakPolarHBondContact O-CB 3.45Å; S142-G661 PolarHBondContact O-N 3.07Å | ||
| 143 | Q | 95.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 156.7 | -176.8 | -55 | -67.6 | -56.7 | 0 | 0 | 111 | A132 M136 M141 F449 I450 G451 G661 | A132-Q143 HydrophobicContact CB-CB 4.36Å; A132-Q143 WeakPolarHBondContact O-CG 3.23Å; M136-Q143 HydrophobicContact CB-CG 3.78Å; M141-Q143 PolarHBondContact O-NE2 2.77Å; Q143-F449 PolarHBondContact N-O 2.88Å; Q143-I450 HydrophobicContact CB-CG1 4.44Å; Q143-I450 HydrophobicContact CB-CG2 4.48Å; Q143-I450 CarbonylContact O-C 3.53Å; Q143-I450 WeakPolarHBondContact O-CA 3.35Å; Q143-G451 PolarHBondContact O-N 3.28Å; Q143-G661 CarbonylContact C-O 3.53Å; Q143-G661 VanDerWaalsContact CA-O 3.25Å; Q143-G661 WeakPolarHBondContact CA-O 3.28Å; Q143-G661 VanDerWaalsContact OE1-CA 3.29Å; Q143-G661 PolarHBondContact OE1-O 2.75Å |
| 144 | S | 95.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.7 | 173.2 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | G451 T660 G661 S663 | S144-G451 CarbonylContact C-O 3.59Å; S144-G451 WeakPolarHBondContact CA-O 3.27Å; S144-T660 WeakPolarHBondContact CB-OG1 3.29Å; S144-T660 PolarHBondContact OG-OG1 3.49Å; S144-G661 PolarHBondContact N-O 3.26Å; S144-S663 PolarHBondContact O-N 2.67Å |
| 145 | I | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115.4 | 171.5 | -61.5 | 169.6 | 0 | 0 | 0 | 107.4 | I128 A132 V147 V162 I450 G451 V452 L453 S663 I665 | I128-I145 HydrophobicContact CG2-CG2 4.43Å; A132-I145 HydrophobicContact CB-CD1 3.83Å; A132-I145 HydrophobicContact CB-CG1 4.06Å; I145-V147 HydrophobicContact CG2-CG2 4.4Å; I145-V162 HydrophobicContact CD1-CG1 3.5Å; I145-V162 HydrophobicContact CG2-CG2 4.38Å; I145-I450 HydrophobicContact CD1-CG2 4.14Å; I145-I450 HydrophobicContact CG1-CG2 4.46Å; I145-G451 PolarHBondContact N-O 2.77Å; I145-V452 WeakPolarHBondContact O-CA 3.31Å; I145-L453 PolarHBondContact O-N 3.16Å; I145-S663 CarbonylContact C-O 3.56Å; I145-S663 WeakPolarHBondContact CA-O 3.48Å; I145-I665 HydrophobicContact CG2-CD1 3.82Å; I145-I665 HydrophobicContact CG2-CG1 4.15Å |
| 146 | I | 93.2 | Very high | 88.1 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.2 | -175.4 | -64.1 | 164.2 | 0 | 0 | 0 | 108.8 | L453 F481 L657 S663 F664 I665 | I146-L453 HydrophobicContact CG1-CB 4.43Å; I146-L453 HydrophobicContact CG1-CD2 4.42Å; I146-L453 HydrophobicContact CG2-CD2 4.45Å; I146-F481 HydrophobicContact CD1-CD1 4.09Å; I146-F481 HydrophobicContact CD1-CE1 3.53Å; I146-L657 HydrophobicContact CD1-CD1 4.1Å; I146-L657 HydrophobicContact CD1-CD2 4.05Å; I146-L657 HydrophobicContact CG1-CD2 4.15Å; I146-S663 PolarHBondContact N-O 2.9Å; I146-F664 HydrophobicContact CB-CD1 3.82Å; I146-F664 HydrophobicContact CB-CE1 4.02Å; I146-F664 HydrophobicContact CD1-CD1 4.16Å; I146-F664 HydrophobicContact CD1-CE1 3.5Å; I146-F664 VanDerWaalsContact CD1-CE1 3.5Å; I146-F664 HydrophobicContact CD1-CZ 3.95Å; I146-F664 HydrophobicContact CG1-CE1 4.36Å; I146-F664 HydrophobicContact CG2-CD1 4.03Å; I146-F664 HydrophobicContact CG2-CE1 4.15Å; I146-I665 PolarHBondContact O-N 3.46Å |
| 147 | V | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.9 | 179.3 | -166 | 0 | 0 | 0 | 0 | 108.6 | I145 K155 N158 V452 L453 I665 C667 | I145-V147 HydrophobicContact CG2-CG2 4.4Å; V147-K155 HydrophobicContact CG1-CB 3.82Å; V147-K155 HydrophobicContact CG1-CG 4.1Å; V147-N158 HydrophobicContact CG1-CB 4.2Å; V147-V452 HydrophobicContact CG2-CG1 4.16Å; V147-L453 WeakPolarHBondContact CB-O 3.49Å; V147-L453 PolarHBondContact N-O 3.28Å; V147-I665 HydrophobicContact CG1-CB 4.39Å; V147-I665 HydrophobicContact CG1-CG2 4.43Å; V147-I665 HydrophobicContact CG2-CB 4.44Å; V147-I665 HydrophobicContact CG2-CD1 4.38Å; V147-C667 VanDerWaalsContact CG1-SG 3.6Å |
| 148 | S | 88.7 | Confident | 87.9 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.9 | -169.1 | 59.9 | 0 | 0 | 0 | 0 | 112 | I665 R666 C667 | S148-I665 PolarHBondContact N-O 2.81Å; S148-I665 PolarHBondContact OG-O 2.9Å; S148-R666 WeakPolarHBondContact OG-CD 3.21Å; S148-R666 PolarHBondContact OG-NH1 2.91Å; S148-C667 WeakPolarHBondContact O-CB 3.33Å; S148-C667 PolarHBondContact O-N 2.94Å |
| 149 | G | 86.1 | Confident | 88.1 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 23% | 0.227 | 15% | 0.152 | C | C | . | . | trans | 138.1 | 173 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K155 G457 C667 | G149-K155 PolarHBondContact O-NZ 2.83Å; G149-G457 WeakPolarHBondContact O-CA 3.46Å; G149-C667 WeakPolarHBondContact CA-O 3.36Å | ||
| 150 | E | 81 | Confident | 88.2 | Confident | 40 Ų | 40 | 25.6 Ų | 25.6 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -60.7 | 164.8 | -177.1 | -74.9 | -166.5 | -148.2 | 0 | 0 | 114.3 | A153 K155 R197 Q687 | E150-A153 VanDerWaalsContact O-CB 3.22Å; E150-A153 WeakPolarHBondContact O-CB 3.4Å; E150-A153 PolarHBondContact O-N 3.02Å; E150-K155 PolarHBondContact O-NZ 3.36Å; E150-R197 IonicContact OE2-NH1 3.8Å; E150-R197 PolarHBondContact OE2-NH1 3.02Å; E150-Q687 HydrophobicContact CG-CG 4.23Å; E150-Q687 VanDerWaalsContact OE1-CG 3.24Å; E150-Q687 WeakPolarHBondContact OE1-CG 3.48Å |
| 151 | S | 77.8 | Confident | 88.3 | Confident | 8 Ų | 8 | 21.5 Ų | 21.5 | 6% | 0.056 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 133.8 | 169.9 | -161 | 0 | 0 | 0 | 0 | 110.8 | N198 S201 | S151-N198 PolarHBondContact OG-ND2 3.44Å; S151-S201 PolarHBondContact OG-OG 3.05Å |
| 152 | G | 78.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 18.3 Ų | 18.3 | 16% | 0.155 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 1.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N96 Y98 G154 | N96-G152 PolarHBondContact ND2-O 2.85Å; Y98-G152 PolarHBondContact OH-O 3.05Å; G152-G154 VanDerWaalsContact C-N 3.27Å; G152-G154 PolarHBondContact O-N 3.26Å |
| 153 | A | 86.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -77.3 | 0.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E150 C667 K669 | E150-A153 VanDerWaalsContact O-CB 3.22Å; E150-A153 WeakPolarHBondContact O-CB 3.4Å; E150-A153 PolarHBondContact O-N 3.02Å; A153-C667 HydrophobicContact CB-CB 3.92Å; A153-C667 WeakPolarHBondContact O-CB 3.46Å; A153-K669 HydrophobicContact CB-CB 4.19Å |
| 154 | G | 87.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 22.8 Ų | 22.8 | 18% | 0.175 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 89.4 | 21 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | G152 N158 | G152-G154 VanDerWaalsContact C-N 3.27Å; G152-G154 PolarHBondContact O-N 3.26Å; G154-N158 PolarHBondContact O-N 3.47Å; G154-N158 PolarHBondContact O-ND2 3.32Å |
| 155 | K | 87.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 22.8 Ų | 22.8 | 7% | 0.065 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.7 | -53 | 179.6 | -63.4 | -169.8 | -67.2 | -72.6 | 0 | 113.2 | V147 G149 E150 E157 N158 T159 D454 I455 C667 | V147-K155 HydrophobicContact CG1-CB 3.82Å; V147-K155 HydrophobicContact CG1-CG 4.1Å; G149-K155 PolarHBondContact O-NZ 2.83Å; E150-K155 PolarHBondContact O-NZ 3.36Å; K155-E157 VanDerWaalsContact C-N 3.3Å; K155-E157 PolarHBondContact O-N 2.91Å; K155-N158 PolarHBondContact O-N 2.76Å; K155-N158 VanDerWaalsContact O-N 3.13Å; K155-T159 PolarHBondContact O-N 2.76Å; K155-T159 PolarHBondContact O-OG1 2.84Å; K155-D454 WeakPolarHBondContact CB-OD1 3.32Å; K155-I455 WeakPolarHBondContact CE-O 3.49Å; K155-C667 HydrophobicContact CG-CB 3.87Å |
| 156 | T | 82.5 | Confident | 87.1 | Confident | 38 Ų | 38 | 22.8 Ų | 22.8 | 23% | 0.233 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -32.5 | -174.9 | -49.1 | 0 | 0 | 0 | 0 | 113.3 | T159 K160 D454 | T156-T159 WeakPolarHBondContact O-CB 3.27Å; T156-T159 PolarHBondContact O-N 3.1Å; T156-K160 WeakPolarHBondContact O-CG 3.43Å; T156-K160 PolarHBondContact O-N 3.09Å; T156-D454 WeakPolarHBondContact CA-OD2 3.21Å; T156-D454 VanDerWaalsContact CB-OD2 3.3Å; T156-D454 WeakPolarHBondContact CB-OD2 3.47Å; T156-D454 PolarHBondContact OG1-OD2 3.46Å |
| 157 | E | 85.1 | Confident | 86.6 | Confident | 84 Ų | 84 | 22.9 Ų | 22.9 | 39% | 0.393 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -71.9 | -41.8 | 173.9 | -56 | -41.7 | 113.7 | 0 | 0 | 111.8 | K155 T159 K160 F161 | K155-E157 VanDerWaalsContact C-N 3.3Å; K155-E157 PolarHBondContact O-N 2.91Å; E157-T159 VanDerWaalsContact C-N 3.28Å; E157-T159 PolarHBondContact O-N 3.27Å; E157-K160 WeakPolarHBondContact O-CB 3.37Å; E157-K160 PolarHBondContact O-N 2.82Å; E157-K160 VanDerWaalsContact O-N 3.15Å; E157-K160 IonicContact OE1-NZ 2.7Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 WeakPolarHBondContact OE2-CD 2.96Å; E157-K160 IonicContact OE2-NZ 2.7Å; E157-K160 PolarHBondContact OE2-NZ 2.92Å; E157-F161 HydrophobicContact CB-CE2 4Å; E157-F161 HydrophobicContact CB-CZ 4.46Å; E157-F161 WeakPolarHBondContact O-CD2 3.34Å; E157-F161 VanDerWaalsContact O-CG 3.27Å; E157-F161 WeakPolarHBondContact O-CG 3.44Å; E157-F161 PolarHBondContact O-N 2.7Å |
| 158 | N | 91.3 | Very high | 86.2 | Confident | 13 Ų | 13 | 26.3 Ų | 26.3 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -40.3 | 171.2 | -78.1 | -85.1 | 0 | 0 | 0 | 111.6 | Y85 V147 G154 K155 F161 V162 | Y85-N158 WeakPolarHBondContact CE1-OD1 3.28Å; Y85-N158 PolarHBondContact OH-OD1 2.67Å; V147-N158 HydrophobicContact CG1-CB 4.2Å; G154-N158 PolarHBondContact O-N 3.47Å; G154-N158 PolarHBondContact O-ND2 3.32Å; K155-N158 PolarHBondContact O-N 2.76Å; K155-N158 VanDerWaalsContact O-N 3.13Å; N158-F161 PolarHBondContact O-N 3.42Å; N158-V162 WeakPolarHBondContact O-CG2 3.12Å; N158-V162 PolarHBondContact O-N 2.9Å |
| 159 | T | 89.4 | Confident | 86 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 172.2 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | K155 T156 E157 F161 V162 L163 V452 D454 | K155-T159 PolarHBondContact O-N 2.76Å; K155-T159 PolarHBondContact O-OG1 2.84Å; T156-T159 WeakPolarHBondContact O-CB 3.27Å; T156-T159 PolarHBondContact O-N 3.1Å; E157-T159 VanDerWaalsContact C-N 3.28Å; E157-T159 PolarHBondContact O-N 3.27Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 2.81Å; T159-V162 PolarHBondContact O-N 2.91Å; T159-L163 HydrophobicContact CG2-CD1 3.86Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.48Å; T159-L163 PolarHBondContact O-N 3.36Å; T159-V452 HydrophobicContact CG2-CG1 3.86Å; T159-D454 HydrophobicContact CG2-CB 4.33Å |
| 160 | K | 85.1 | Confident | 85.8 | Confident | 58 Ų | 58 | 27.1 Ų | 27.1 | 25% | 0.252 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 174.6 | -73.2 | 160 | 177.2 | 170.9 | 0 | 111.6 | T156 E157 L163 R164 E188 | T156-K160 WeakPolarHBondContact O-CG 3.43Å; T156-K160 PolarHBondContact O-N 3.09Å; E157-K160 WeakPolarHBondContact O-CB 3.37Å; E157-K160 PolarHBondContact O-N 2.82Å; E157-K160 VanDerWaalsContact O-N 3.15Å; E157-K160 IonicContact OE1-NZ 2.7Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 WeakPolarHBondContact OE2-CD 2.96Å; E157-K160 IonicContact OE2-NZ 2.7Å; E157-K160 PolarHBondContact OE2-NZ 2.92Å; K160-L163 PolarHBondContact O-N 3Å; K160-R164 VanDerWaalsContact O-CB 3.32Å; K160-R164 WeakPolarHBondContact O-CB 3.24Å; K160-R164 PolarHBondContact O-N 3.09Å; K160-E188 IonicContact NZ-OE1 3.21Å |
| 161 | F | 90.5 | Very high | 85.3 | Confident | 31 Ų | 31 | 27 Ų | 27 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 178.5 | -59.7 | -42.4 | 0 | 0 | 0 | 113.5 | Y105 V125 F126 E157 N158 T159 Y165 | Y105-F161 HydrophobicContact CD1-CB 4.49Å; Y105-F161 AromaticContact CD1-CD1 3.84Å; Y105-F161 HydrophobicContact CD1-CD1 3.84Å; Y105-F161 AromaticContact CD1-CD2 3.85Å; Y105-F161 HydrophobicContact CD1-CD2 3.85Å; Y105-F161 AromaticContact CD1-CE1 3.98Å; Y105-F161 HydrophobicContact CD1-CE1 3.98Å; Y105-F161 AromaticContact CD1-CE2 4Å; Y105-F161 HydrophobicContact CD1-CE2 4Å; Y105-F161 AromaticContact CD1-CG 3.8Å; Y105-F161 HydrophobicContact CD1-CG 3.8Å; Y105-F161 HydrophobicContact CD1-CZ 4.06Å; Y105-F161 AromaticContact CD2-CE1 3.87Å; Y105-F161 HydrophobicContact CD2-CE1 3.87Å; Y105-F161 HydrophobicContact CD2-CE2 4.02Å; Y105-F161 AromaticContact CD2-CZ 3.57Å; Y105-F161 HydrophobicContact CD2-CZ 3.57Å; Y105-F161 HydrophobicContact CE1-CD1 4.29Å; Y105-F161 AromaticContact CE1-CD2 3.43Å; Y105-F161 HydrophobicContact CE1-CD2 3.43Å; Y105-F161 VanDerWaalsContact CE1-CD2 3.43Å; Y105-F161 HydrophobicContact CE1-CE1 4.37Å; Y105-F161 AromaticContact CE1-CE2 3.54Å; Y105-F161 HydrophobicContact CE1-CE2 3.54Å; Y105-F161 AromaticContact CE1-CG 3.85Å; Y105-F161 HydrophobicContact CE1-CG 3.85Å; Y105-F161 HydrophobicContact CE1-CZ 4.04Å; Y105-F161 HydrophobicContact CE2-CD2 4.33Å; Y105-F161 HydrophobicContact CE2-CE1 4.27Å; Y105-F161 AromaticContact CE2-CE2 3.57Å; Y105-F161 HydrophobicContact CE2-CE2 3.57Å; Y105-F161 AromaticContact CE2-CZ 3.54Å; Y105-F161 HydrophobicContact CE2-CZ 3.54Å; Y105-F161 AromaticContact CG-CD1 3.98Å; Y105-F161 HydrophobicContact CG-CD1 3.98Å; Y105-F161 HydrophobicContact CG-CD2 4.45Å; Y105-F161 AromaticContact CG-CE1 3.69Å; Y105-F161 HydrophobicContact CG-CE1 3.69Å; Y105-F161 HydrophobicContact CG-CE2 4.21Å; Y105-F161 HydrophobicContact CG-CG 4.38Å; Y105-F161 AromaticContact CG-CZ 3.83Å; Y105-F161 HydrophobicContact CG-CZ 3.83Å; Y105-F161 AromaticContact CZ-CD2 3.68Å; Y105-F161 AromaticContact CZ-CE2 3.29Å; Y105-F161 AromaticContact CZ-CZ 3.77Å; V125-F161 HydrophobicContact CG1-CB 3.88Å; V125-F161 HydrophobicContact CG2-CB 4.4Å; F126-F161 HydrophobicContact CE1-CB 4.16Å; E157-F161 HydrophobicContact CB-CE2 4Å; E157-F161 HydrophobicContact CB-CZ 4.46Å; E157-F161 WeakPolarHBondContact O-CD2 3.34Å; E157-F161 VanDerWaalsContact O-CG 3.27Å; E157-F161 WeakPolarHBondContact O-CG 3.44Å; E157-F161 PolarHBondContact O-N 2.7Å; N158-F161 PolarHBondContact O-N 3.42Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 2.81Å; F161-Y165 WeakPolarHBondContact O-CB 3.27Å; F161-Y165 PolarHBondContact O-N 3.24Å |
| 162 | V | 92.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -50.1 | 172.8 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V125 A129 I145 N158 T159 Y165 L166 V452 I665 | V125-V162 HydrophobicContact CG2-CG2 3.37Å; A129-V162 HydrophobicContact CB-CG1 4.22Å; I145-V162 HydrophobicContact CD1-CG1 3.5Å; I145-V162 HydrophobicContact CG2-CG2 4.38Å; N158-V162 WeakPolarHBondContact O-CG2 3.12Å; N158-V162 PolarHBondContact O-N 2.9Å; T159-V162 PolarHBondContact O-N 2.91Å; V162-Y165 PolarHBondContact O-N 3.04Å; V162-L166 HydrophobicContact CG1-CD1 4.14Å; V162-L166 WeakPolarHBondContact O-CG 3.28Å; V162-L166 PolarHBondContact O-N 2.93Å; V162-L166 VanDerWaalsContact O-N 3.11Å; V162-V452 HydrophobicContact CB-CG1 4.45Å; V162-V452 HydrophobicContact CB-CG2 4.47Å; V162-V452 HydrophobicContact CG1-CG1 4.26Å; V162-V452 HydrophobicContact CG1-CG2 3.59Å; V162-I665 HydrophobicContact CG2-CD1 3.99Å |
| 163 | L | 88.5 | Confident | 83.7 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -50.1 | -177.8 | -68.8 | 168.3 | 0 | 0 | 0 | 110.7 | T159 K160 Y165 L166 T167 I180 V208 I210 V452 | T159-L163 HydrophobicContact CG2-CD1 3.86Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.48Å; T159-L163 PolarHBondContact O-N 3.36Å; K160-L163 PolarHBondContact O-N 3Å; L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 PolarHBondContact O-N 3.15Å; L163-L166 PolarHBondContact O-N 2.77Å; L163-L166 VanDerWaalsContact O-N 3.16Å; L163-T167 PolarHBondContact O-N 2.9Å; L163-T167 PolarHBondContact O-OG1 3.19Å; L163-I180 HydrophobicContact CD1-CG2 4.16Å; L163-V208 HydrophobicContact CD1-CB 4.14Å; L163-V208 HydrophobicContact CD1-CG1 4Å; L163-V208 HydrophobicContact CD1-CG2 4.22Å; L163-V208 HydrophobicContact CD2-CB 3.98Å; L163-V208 HydrophobicContact CD2-CG1 3.62Å; L163-V208 HydrophobicContact CG-CG1 4.5Å; L163-I210 HydrophobicContact CD2-CD1 3.88Å; L163-I210 HydrophobicContact CD2-CG1 3.86Å; L163-V452 HydrophobicContact CD2-CB 4.28Å; L163-V452 HydrophobicContact CD2-CG2 3.72Å; L163-V452 HydrophobicContact CG-CG2 4.22Å |
| 164 | R | 86.5 | Confident | 82.4 | Confident | 107 Ų | 107 | 36.4 Ų | 36.4 | 40% | 0.404 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.7 | -41.9 | 176.1 | -173.3 | -178.3 | -175.9 | -155.9 | 1.7 | 112.4 | Y105 K160 T167 T168 | Y105-R164 PolarHBondContact O-NH1 2.86Å; K160-R164 VanDerWaalsContact O-CB 3.32Å; K160-R164 WeakPolarHBondContact O-CB 3.24Å; K160-R164 PolarHBondContact O-N 3.09Å; R164-T167 PolarHBondContact O-OG1 3.21Å; R164-T168 VanDerWaalsContact O-CB 3.24Å; R164-T168 WeakPolarHBondContact O-CB 3.49Å; R164-T168 PolarHBondContact O-N 3.05Å; R164-T168 PolarHBondContact O-OG1 3.2Å |
| 165 | Y | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -49.7 | 176.8 | -177.3 | -90.4 | 0 | 0 | 0 | 111.7 | I110 Q114 F126 A129 D130 F161 V162 L163 T167 T169 Y170 | I110-Y165 HydrophobicContact CB-CD2 4.38Å; I110-Y165 HydrophobicContact CG1-CD2 4.36Å; I110-Y165 HydrophobicContact CG2-CD2 3.88Å; I110-Y165 HydrophobicContact CG2-CE2 4.04Å; I110-Y165 WeakPolarHBondContact O-CE2 2.98Å; Q114-Y165 VanDerWaalsContact CA-OH 3.29Å; Q114-Y165 WeakPolarHBondContact CA-OH 3.39Å; Q114-Y165 PolarHBondContact N-OH 3.21Å; F126-Y165 HydrophobicContact CB-CD2 3.49Å; F126-Y165 VanDerWaalsContact CB-CD2 3.49Å; F126-Y165 HydrophobicContact CB-CE2 3.69Å; F126-Y165 HydrophobicContact CB-CG 4.13Å; F126-Y165 AromaticContact CD1-CD2 3.65Å; F126-Y165 HydrophobicContact CD1-CD2 3.65Å; F126-Y165 AromaticContact CD1-CG 3.95Å; F126-Y165 HydrophobicContact CD1-CG 3.95Å; F126-Y165 AromaticContact CD2-CD2 3.99Å; F126-Y165 HydrophobicContact CD2-CD2 3.99Å; F126-Y165 HydrophobicContact CD2-CE2 4.43Å; F126-Y165 HydrophobicContact CE1-CD2 4.38Å; F126-Y165 AromaticContact CG-CD2 3.44Å; F126-Y165 HydrophobicContact CG-CD2 3.44Å; F126-Y165 VanDerWaalsContact CG-CD2 3.44Å; F126-Y165 HydrophobicContact CG-CE2 4.05Å; F126-Y165 HydrophobicContact CG-CG 4.14Å; A129-Y165 HydrophobicContact CB-CD1 3.47Å; A129-Y165 VanDerWaalsContact CB-CD1 3.47Å; A129-Y165 HydrophobicContact CB-CE1 4.18Å; A129-Y165 HydrophobicContact CB-CG 4.06Å; D130-Y165 HydrophobicContact CB-CE1 3.82Å; D130-Y165 WeakPolarHBondContact CB-OH 3.43Å; D130-Y165 PolarHBondContact OD1-OH 3.02Å; F161-Y165 WeakPolarHBondContact O-CB 3.27Å; F161-Y165 PolarHBondContact O-N 3.24Å; V162-Y165 PolarHBondContact O-N 3.04Å; L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 PolarHBondContact O-N 3.15Å; Y165-T167 PolarHBondContact O-N 3.15Å; Y165-T169 HydrophobicContact CE1-CG2 4.44Å; Y165-T169 WeakPolarHBondContact O-CB 3.32Å; Y165-T169 PolarHBondContact O-N 3.27Å; Y165-T169 PolarHBondContact O-OG1 2.6Å; Y165-Y170 HydrophobicContact CE1-CE2 4.13Å |
| 166 | L | 89.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | -177.4 | -67.4 | 174.6 | 0 | 0 | 0 | 112.1 | A129 V162 L163 Y170 I210 I450 | A129-L166 HydrophobicContact CB-CD2 4.18Å; A129-L166 HydrophobicContact CB-CG 4.31Å; V162-L166 HydrophobicContact CG1-CD1 4.14Å; V162-L166 WeakPolarHBondContact O-CG 3.28Å; V162-L166 PolarHBondContact O-N 2.93Å; V162-L166 VanDerWaalsContact O-N 3.11Å; L163-L166 PolarHBondContact O-N 2.77Å; L163-L166 VanDerWaalsContact O-N 3.16Å; L166-Y170 HydrophobicContact CD2-CD2 4.37Å; L166-Y170 HydrophobicContact CD2-CE2 4.16Å; L166-Y170 WeakPolarHBondContact O-CD2 3.29Å; L166-Y170 PolarHBondContact O-N 3.09Å; L166-I210 HydrophobicContact CD1-CG1 4.43Å; L166-I450 HydrophobicContact CD1-CB 4.13Å; L166-I450 HydrophobicContact CD1-CD1 4.31Å; L166-I450 HydrophobicContact CD1-CG2 3.8Å; L166-I450 HydrophobicContact CD2-CD1 3.9Å |
| 167 | T | 83.7 | Confident | 79.5 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.7 | -43.6 | -177.6 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | L163 R164 Y165 T169 G171 I176 D177 I210 | L163-T167 PolarHBondContact O-N 2.9Å; L163-T167 PolarHBondContact O-OG1 3.19Å; R164-T167 PolarHBondContact O-OG1 3.21Å; Y165-T167 PolarHBondContact O-N 3.15Å; T167-T169 VanDerWaalsContact C-N 3.33Å; T167-T169 PolarHBondContact O-N 3.23Å; T167-G171 WeakPolarHBondContact O-CA 3.3Å; T167-G171 PolarHBondContact O-N 3.11Å; T167-I176 HydrophobicContact CG2-CG2 4.41Å; T167-D177 HydrophobicContact CG2-CB 4.38Å; T167-D177 WeakPolarHBondContact OG1-CB 3.29Å; T167-I210 HydrophobicContact CG2-CD1 4.07Å |
| 168 | T | 84 | Confident | 78.8 | Confident | 71 Ų | 71 | 40.7 Ų | 40.7 | 44% | 0.436 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.8 | -30.7 | 177 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | R164 | R164-T168 VanDerWaalsContact O-CB 3.24Å; R164-T168 WeakPolarHBondContact O-CB 3.49Å; R164-T168 PolarHBondContact O-N 3.05Å; R164-T168 PolarHBondContact O-OG1 3.2Å |
| 169 | T | 83.6 | Confident | 78.1 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -89.3 | -30.1 | -174 | -49.1 | 0 | 0 | 0 | 0 | 113.9 | I110 Q114 Y165 T167 | I110-T169 VanDerWaalsContact CG2-OG1 3.26Å; I110-T169 WeakPolarHBondContact CG2-OG1 3.02Å; Q114-T169 HydrophobicContact CB-CG2 4.26Å; Q114-T169 HydrophobicContact CG-CG2 3.6Å; Q114-T169 VanDerWaalsContact NE2-CG2 3.26Å; Y165-T169 HydrophobicContact CE1-CG2 4.44Å; Y165-T169 WeakPolarHBondContact O-CB 3.32Å; Y165-T169 PolarHBondContact O-N 3.27Å; Y165-T169 PolarHBondContact O-OG1 2.6Å; T167-T169 VanDerWaalsContact C-N 3.33Å; T167-T169 PolarHBondContact O-N 3.23Å |
| 170 | Y | 81.3 | Confident | 77.3 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -129.5 | 13.2 | -176.7 | -42.1 | -66.7 | 0 | 0 | 0 | 113.4 | D130 Y133 Y165 L166 V218 | D130-Y170 PolarHBondContact OD1-OH 3.1Å; Y133-Y170 HydrophobicContact CD1-CD1 4.07Å; Y133-Y170 HydrophobicContact CD1-CD2 4.18Å; Y133-Y170 AromaticContact CD1-CE1 3.48Å; Y133-Y170 HydrophobicContact CD1-CE1 3.48Å; Y133-Y170 VanDerWaalsContact CD1-CE1 3.48Å; Y133-Y170 AromaticContact CD1-CE2 3.6Å; Y133-Y170 HydrophobicContact CD1-CE2 3.6Å; Y133-Y170 HydrophobicContact CD1-CG 4.39Å; Y133-Y170 AromaticContact CD1-CZ 3.2Å; Y133-Y170 WeakPolarHBondContact CD1-OH 3.21Å; Y133-Y170 HydrophobicContact CD2-CD1 4.43Å; Y133-Y170 AromaticContact CD2-CD2 3.63Å; Y133-Y170 HydrophobicContact CD2-CD2 3.63Å; Y133-Y170 AromaticContact CD2-CE2 3.74Å; Y133-Y170 HydrophobicContact CD2-CE2 3.74Å; Y133-Y170 AromaticContact CD2-CG 3.99Å; Y133-Y170 HydrophobicContact CD2-CG 3.99Å; Y133-Y170 AromaticContact CE1-CD1 3.62Å; Y133-Y170 HydrophobicContact CE1-CD1 3.62Å; Y133-Y170 HydrophobicContact CE1-CD2 4.4Å; Y133-Y170 AromaticContact CE1-CE1 3.32Å; Y133-Y170 HydrophobicContact CE1-CE1 3.32Å; Y133-Y170 HydrophobicContact CE1-CE2 4.16Å; Y133-Y170 HydrophobicContact CE1-CG 4.15Å; Y133-Y170 AromaticContact CE1-CZ 3.62Å; Y133-Y170 HydrophobicContact CE2-CD1 4.04Å; Y133-Y170 AromaticContact CE2-CD2 3.92Å; Y133-Y170 HydrophobicContact CE2-CD2 3.92Å; Y133-Y170 HydrophobicContact CE2-CE1 4.43Å; Y133-Y170 HydrophobicContact CE2-CE2 4.3Å; Y133-Y170 AromaticContact CE2-CG 3.76Å; Y133-Y170 HydrophobicContact CE2-CG 3.76Å; Y133-Y170 HydrophobicContact CG-CD1 4.44Å; Y133-Y170 AromaticContact CG-CD2 3.77Å; Y133-Y170 HydrophobicContact CG-CD2 3.77Å; Y133-Y170 HydrophobicContact CG-CE1 4.09Å; Y133-Y170 AromaticContact CG-CE2 3.35Å; Y133-Y170 HydrophobicContact CG-CE2 3.35Å; Y133-Y170 HydrophobicContact CG-CG 4.29Å; Y133-Y170 AromaticContact CG-CZ 3.52Å; Y133-Y170 AromaticContact CZ-CD1 3.59Å; Y133-Y170 AromaticContact CZ-CE1 3.83Å; Y133-Y170 AromaticContact CZ-CG 3.83Å; Y165-Y170 HydrophobicContact CE1-CE2 4.13Å; L166-Y170 HydrophobicContact CD2-CD2 4.37Å; L166-Y170 HydrophobicContact CD2-CE2 4.16Å; L166-Y170 WeakPolarHBondContact O-CD2 3.29Å; L166-Y170 PolarHBondContact O-N 3.09Å; Y170-V218 PolarHBondContact O-N 3.27Å |
| 171 | G | 71.5 | Confident | 76.7 | Confident | 38 Ų | 38 | 46 Ų | 46 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | trans | -62.5 | 148.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T167 G173 | T167-G171 WeakPolarHBondContact O-CA 3.3Å; T167-G171 PolarHBondContact O-N 3.11Å; G171-G173 PolarHBondContact O-N 3.02Å | ||
| 172 | S | 64.9 | Low | 76.2 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | trans | -86.7 | 13.5 | 176.6 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | V218 | S172-V218 PolarHBondContact OG-O 3.36Š| ||
| 173 | G | 58.1 | Low | 75.7 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 80% | 0.804 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 79.4 | 17.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G171 | G171-G173 PolarHBondContact O-N 3.02Š|
| 174 | Q | 57.3 | Low | 75.4 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -96.4 | 141.8 | 170.4 | -60 | -177.6 | 2.1 | 0 | 0 | 109.9 | I176 P442 | Q174-I176 HydrophobicContact CB-CD1 4.07Å; Q174-I176 HydrophobicContact CB-CG1 4.01Å; Q174-I176 PolarHBondContact O-N 3.33Å; Q174-P442 VanDerWaalsContact OE1-CG 3.31Å |
| 175 | D | 65.1 | Low | 75.5 | Confident | 78 Ų | 78 | 43.6 Ų | 43.6 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 36.2 | 177.9 | 5.8 | -68.3 | 0 | 0 | 0 | 114.4 | D177 E178 R179 | D175-D177 VanDerWaalsContact C-N 3.27Å; D175-D177 PolarHBondContact O-N 3.46Å; D175-E178 HydrophobicContact CB-CB 4.24Å; D175-E178 HydrophobicContact CB-CG 4.5Å; D175-R179 WeakPolarHBondContact O-CB 3.43Å; D175-R179 WeakPolarHBondContact O-CD 3.26Å; D175-R179 WeakPolarHBondContact O-CG 3.48Å; D175-R179 PolarHBondContact O-N 3.19Å; D175-R179 IonicContact OD2-CZ 3.49Å; D175-R179 IonicContact OD2-NE 3.85Å; D175-R179 IonicContact OD2-NH2 2.85Å; D175-R179 PolarHBondContact OD2-NH2 3.47Å |
| 176 | I | 67.9 | Low | 75.5 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -33.3 | 175.2 | -65.8 | 170.5 | 0 | 0 | 0 | 110.3 | T167 Q174 I180 V218 P442 | T167-I176 HydrophobicContact CG2-CG2 4.41Å; Q174-I176 HydrophobicContact CB-CD1 4.07Å; Q174-I176 HydrophobicContact CB-CG1 4.01Å; Q174-I176 PolarHBondContact O-N 3.33Å; I176-I180 HydrophobicContact CG2-CD1 3.66Å; I176-I180 HydrophobicContact CG2-CG1 4.34Å; I176-I180 VanDerWaalsContact O-CB 3.31Å; I176-I180 WeakPolarHBondContact O-CB 3.36Å; I176-I180 WeakPolarHBondContact O-CG1 3.33Å; I176-I180 PolarHBondContact O-N 3.38Å; I176-V218 HydrophobicContact CD1-CG1 4.04Å; I176-V218 HydrophobicContact CG2-CG1 4.42Å; I176-P442 HydrophobicContact CD1-CG 4.45Å |
| 177 | D | 64.9 | Low | 75.6 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.7 | -50.5 | 174.8 | 60 | -21.1 | 0 | 0 | 0 | 112 | T167 D175 R179 I180 V181 | T167-D177 HydrophobicContact CG2-CB 4.38Å; T167-D177 WeakPolarHBondContact OG1-CB 3.29Å; D175-D177 VanDerWaalsContact C-N 3.27Å; D175-D177 PolarHBondContact O-N 3.46Å; D177-R179 PolarHBondContact O-N 3.36Å; D177-I180 PolarHBondContact O-N 3.38Å; D177-V181 WeakPolarHBondContact O-CB 3.45Å; D177-V181 VanDerWaalsContact O-CG2 3.3Å; D177-V181 WeakPolarHBondContact O-CG2 3.44Å; D177-V181 PolarHBondContact O-N 2.88Å |
| 178 | E | 70 | Confident | 75.8 | Confident | 111 Ų | 111 | 44.8 Ų | 44.8 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.7 | -50.6 | 174.4 | -61.7 | -157.9 | 158.7 | 0 | 0 | 110.7 | D175 I180 V181 E182 | D175-E178 HydrophobicContact CB-CB 4.24Å; D175-E178 HydrophobicContact CB-CG 4.5Å; E178-I180 PolarHBondContact O-N 3.45Å; E178-V181 PolarHBondContact O-N 3.43Å; E178-V181 VanDerWaalsContact O-N 3.11Å; E178-E182 VanDerWaalsContact O-CB 3.3Å; E178-E182 WeakPolarHBondContact O-CB 3.36Å; E178-E182 WeakPolarHBondContact O-CG 3.48Å; E178-E182 PolarHBondContact O-N 2.98Å |
| 179 | R | 75.1 | Confident | 76.3 | Confident | 96 Ų | 96 | 41.4 Ų | 41.4 | 36% | 0.362 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -39 | 180 | -68.9 | 168.6 | -162.8 | -136.3 | 0.9 | 113.7 | D175 D177 A183 C440 F441 | D175-R179 WeakPolarHBondContact O-CB 3.43Å; D175-R179 WeakPolarHBondContact O-CD 3.26Å; D175-R179 WeakPolarHBondContact O-CG 3.48Å; D175-R179 PolarHBondContact O-N 3.19Å; D175-R179 IonicContact OD2-CZ 3.49Å; D175-R179 IonicContact OD2-NE 3.85Å; D175-R179 IonicContact OD2-NH2 2.85Å; D175-R179 PolarHBondContact OD2-NH2 3.47Å; D177-R179 PolarHBondContact O-N 3.36Å; R179-A183 WeakPolarHBondContact O-CB 3.21Å; R179-A183 PolarHBondContact O-N 3.46Å; R179-C440 PolarHBondContact NH1-O 2.99Å; R179-F441 HydrophobicContact CB-CD1 4.43Å; R179-F441 HydrophobicContact CB-CE1 4.2Å |
| 180 | I | 73 | Confident | 76.8 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.7 | -34.9 | 176.7 | -71.8 | 173.1 | 0 | 0 | 0 | 111.1 | L163 I176 D177 E178 N184 V208 I210 F441 | L163-I180 HydrophobicContact CD1-CG2 4.16Å; I176-I180 HydrophobicContact CG2-CD1 3.66Å; I176-I180 HydrophobicContact CG2-CG1 4.34Å; I176-I180 VanDerWaalsContact O-CB 3.31Å; I176-I180 WeakPolarHBondContact O-CB 3.36Å; I176-I180 WeakPolarHBondContact O-CG1 3.33Å; I176-I180 PolarHBondContact O-N 3.38Å; D177-I180 PolarHBondContact O-N 3.38Å; E178-I180 PolarHBondContact O-N 3.45Å; I180-N184 PolarHBondContact O-ND2 3.33Å; I180-V208 HydrophobicContact CG2-CG1 4.42Å; I180-I210 HydrophobicContact CD1-CD1 3.48Å; I180-I210 VanDerWaalsContact CD1-CD1 3.48Å; I180-F441 HydrophobicContact CB-CE1 4.46Å; I180-F441 HydrophobicContact CD1-CE1 4.46Å; I180-F441 HydrophobicContact CG1-CD1 4.11Å; I180-F441 HydrophobicContact CG1-CE1 3.43Å; I180-F441 VanDerWaalsContact CG1-CE1 3.43Å; I180-F441 HydrophobicContact CG1-CZ 3.87Å |
| 181 | V | 73.3 | Confident | 77.3 | Confident | 82 Ų | 82 | 39.1 Ų | 39.1 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.2 | -44 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | D177 E178 A183 N184 | D177-V181 WeakPolarHBondContact O-CB 3.45Å; D177-V181 VanDerWaalsContact O-CG2 3.3Å; D177-V181 WeakPolarHBondContact O-CG2 3.44Å; D177-V181 PolarHBondContact O-N 2.88Å; E178-V181 PolarHBondContact O-N 3.43Å; E178-V181 VanDerWaalsContact O-N 3.11Å; V181-A183 PolarHBondContact O-N 3.01Å; V181-N184 WeakPolarHBondContact CA-ND2 3.38Å; V181-N184 WeakPolarHBondContact O-CB 3.31Å; V181-N184 PolarHBondContact O-N 3.34Å; V181-N184 VanDerWaalsContact O-N 3.11Å; V181-N184 PolarHBondContact O-ND2 2.73Å |
| 182 | E | 79.1 | Confident | 78.2 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.6 | -22 | -178.6 | -69.4 | 178.1 | 159.9 | 0 | 0 | 113.9 | E178 N184 P185 A321 K324 | E178-E182 VanDerWaalsContact O-CB 3.3Å; E178-E182 WeakPolarHBondContact O-CB 3.36Å; E178-E182 WeakPolarHBondContact O-CG 3.48Å; E178-E182 PolarHBondContact O-N 2.98Å; E182-N184 PolarHBondContact O-N 3.02Å; E182-P185 WeakPolarHBondContact O-CD 3.48Å; E182-A321 WeakPolarHBondContact O-CB 3.28Å; E182-K324 WeakPolarHBondContact OE1-CD 3.39Å; E182-K324 WeakPolarHBondContact OE1-CE 3.24Å; E182-K324 IonicContact OE1-NZ 2.81Å; E182-K324 PolarHBondContact OE1-NZ 3.27Å; E182-K324 WeakPolarHBondContact OE2-CB 3.27Å; E182-K324 WeakPolarHBondContact OE2-CD 3.24Å; E182-K324 IonicContact OE2-NZ 3.04Å |
| 183 | A | 82.1 | Confident | 79.4 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -21.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R179 V181 L186 L187 V437 | R179-A183 WeakPolarHBondContact O-CB 3.21Å; R179-A183 PolarHBondContact O-N 3.46Å; V181-A183 PolarHBondContact O-N 3.01Å; A183-L186 PolarHBondContact O-N 2.67Å; A183-L187 WeakPolarHBondContact O-CG 3.35Å; A183-L187 PolarHBondContact O-N 2.92Å; A183-L187 VanDerWaalsContact O-N 3.1Å; A183-V437 HydrophobicContact CB-CG1 3.75Å; A183-V437 HydrophobicContact CB-CG2 4.29Å |
| 184 | N | 83.1 | Confident | 80.9 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -49.6 | -174.5 | -61 | -56.3 | 0 | 0 | 0 | 113.7 | I180 V181 E182 L186 L187 E188 K206 | I180-N184 PolarHBondContact O-ND2 3.33Å; V181-N184 WeakPolarHBondContact CA-ND2 3.38Å; V181-N184 WeakPolarHBondContact O-CB 3.31Å; V181-N184 PolarHBondContact O-N 3.34Å; V181-N184 VanDerWaalsContact O-N 3.11Å; V181-N184 PolarHBondContact O-ND2 2.73Å; E182-N184 PolarHBondContact O-N 3.02Å; N184-L186 PolarHBondContact O-N 2.85Å; N184-L187 PolarHBondContact O-N 2.99Å; N184-E188 WeakPolarHBondContact O-CB 3.5Å; N184-E188 WeakPolarHBondContact O-CG 3.46Å; N184-E188 PolarHBondContact O-N 3.23Å; N184-K206 PolarHBondContact OD1-NZ 3.46Å |
| 185 | P | 88.8 | Confident | 82.2 | Confident | 39 Ų | 39 | 27.8 Ų | 27.8 | 25% | 0.253 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -51.5 | -33.6 | 175.9 | -30.8 | 35.3 | 0 | 0 | 0 | 114.9 | E182 A189 A321 | E182-P185 WeakPolarHBondContact O-CD 3.48Å; P185-A189 WeakPolarHBondContact O-CB 3.4Å; P185-A189 PolarHBondContact O-N 2.89Å; P185-A189 VanDerWaalsContact O-N 3.14Å; P185-A321 HydrophobicContact CB-CB 4.21Å |
| 186 | L | 90.7 | Very high | 82.9 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.3 | -48.5 | 175.4 | -179.4 | 59.8 | 0 | 0 | 0 | 112 | A183 N184 A189 F190 M318 M322 I325 V433 V437 | A183-L186 PolarHBondContact O-N 2.67Å; N184-L186 PolarHBondContact O-N 2.85Å; L186-A189 PolarHBondContact O-N 3.23Å; L186-F190 HydrophobicContact CD1-CD2 3.9Å; L186-F190 HydrophobicContact CD1-CE2 3.68Å; L186-F190 WeakPolarHBondContact O-CD2 3.33Å; L186-F190 PolarHBondContact O-N 3.28Å; L186-M318 HydrophobicContact CD1-CG 4.33Å; L186-M322 HydrophobicContact CD1-CE 3.47Å; L186-M322 VanDerWaalsContact CD1-CE 3.47Å; L186-M322 HydrophobicContact CD1-CG 3.97Å; L186-M322 HydrophobicContact CD2-CG 4.48Å; L186-I325 HydrophobicContact CB-CD1 4.15Å; L186-I325 HydrophobicContact CD2-CD1 3.7Å; L186-V433 HydrophobicContact CD1-CG1 4.3Å; L186-V433 HydrophobicContact CD2-CG1 4.01Å; L186-V433 HydrophobicContact CG-CG1 3.84Å; L186-V437 HydrophobicContact CD2-CG2 4.06Å |
| 187 | L | 89.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 177.9 | -66.8 | 175.8 | 0 | 0 | 0 | 112.4 | A183 N184 A189 G191 F204 V223 V433 V434 | A183-L187 WeakPolarHBondContact O-CG 3.35Å; A183-L187 PolarHBondContact O-N 2.92Å; A183-L187 VanDerWaalsContact O-N 3.1Å; N184-L187 PolarHBondContact O-N 2.99Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-G191 WeakPolarHBondContact O-CA 3.16Å; L187-G191 PolarHBondContact O-N 3.35Å; L187-F204 HydrophobicContact CB-CZ 4.35Å; L187-V223 HydrophobicContact CD1-CG1 4.41Å; L187-V433 HydrophobicContact CD2-CG1 4.4Å; L187-V434 HydrophobicContact CD2-CG2 3.87Å |
| 188 | E | 89.1 | Confident | 83.7 | Confident | 28 Ų | 28 | 30.2 Ų | 30.2 | 13% | 0.131 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.2 | -33.8 | 174.6 | -67.3 | -177 | -148.4 | 0 | 0 | 111.5 | K160 N184 N192 N200 | K160-E188 IonicContact NZ-OE1 3.21Å; N184-E188 WeakPolarHBondContact O-CB 3.5Å; N184-E188 WeakPolarHBondContact O-CG 3.46Å; N184-E188 PolarHBondContact O-N 3.23Å; E188-N192 HydrophobicContact CB-CB 4.48Å; E188-N192 VanDerWaalsContact O-CB 3.29Å; E188-N192 WeakPolarHBondContact O-CB 3.1Å; E188-N192 PolarHBondContact O-N 3.42Å; E188-N200 PolarHBondContact OE2-ND2 2.9Å |
| 189 | A | 93.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P185 L186 L187 H244 I245 R248 M318 | P185-A189 WeakPolarHBondContact O-CB 3.4Å; P185-A189 PolarHBondContact O-N 2.89Å; P185-A189 VanDerWaalsContact O-N 3.14Å; L186-A189 PolarHBondContact O-N 3.23Å; L187-A189 VanDerWaalsContact C-N 3.34Å; A189-H244 PolarHBondContact O-N 2.78Å; A189-I245 HydrophobicContact CB-CB 4.34Å; A189-I245 HydrophobicContact CB-CD1 4.48Å; A189-I245 WeakPolarHBondContact O-CB 3.47Å; A189-I245 PolarHBondContact O-N 3.36Å; A189-R248 VanDerWaalsContact CA-NH1 3.35Å; A189-M318 HydrophobicContact CB-CG 4.24Å; A189-M318 HydrophobicContact CB-SD 3.49Å; A189-M318 WeakPolarHBondContact CB-SD 3.37Å |
| 190 | F | 94.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -88.3 | -17.7 | -175.6 | -73.3 | -100.3 | 0 | 0 | 0 | 114.3 | L186 Y243 I245 M322 V339 Y426 L429 F430 V433 | L186-F190 HydrophobicContact CD1-CD2 3.9Å; L186-F190 HydrophobicContact CD1-CE2 3.68Å; L186-F190 WeakPolarHBondContact O-CD2 3.33Å; L186-F190 PolarHBondContact O-N 3.28Å; F190-Y243 WeakPolarHBondContact O-CD1 3.34Å; F190-I245 HydrophobicContact CD1-CB 4.44Å; F190-I245 HydrophobicContact CD1-CG1 4.27Å; F190-I245 HydrophobicContact CD1-CG2 4.17Å; F190-I245 HydrophobicContact CD2-CB 4.43Å; F190-I245 HydrophobicContact CD2-CD1 4.35Å; F190-I245 HydrophobicContact CD2-CG1 4.32Å; F190-I245 HydrophobicContact CE1-CD1 4.47Å; F190-I245 HydrophobicContact CE1-CG1 3.9Å; F190-I245 HydrophobicContact CE2-CD1 3.72Å; F190-I245 HydrophobicContact CE2-CG1 3.95Å; F190-I245 HydrophobicContact CG-CB 4.38Å; F190-I245 HydrophobicContact CG-CG1 4.47Å; F190-I245 HydrophobicContact CG-CG2 4.39Å; F190-I245 HydrophobicContact CZ-CD1 3.8Å; F190-I245 HydrophobicContact CZ-CG1 3.74Å; F190-M322 HydrophobicContact CE2-CE 4.08Å; F190-V339 HydrophobicContact CE1-CG2 3.72Å; F190-V339 HydrophobicContact CZ-CG2 4.25Å; F190-Y426 WeakPolarHBondContact CA-OH 3.43Å; F190-Y426 HydrophobicContact CD1-CE2 4.43Å; F190-Y426 PolarHBondContact O-OH 3.44Å; F190-L429 HydrophobicContact CD1-CD2 4.44Å; F190-L429 HydrophobicContact CE1-CD2 3.82Å; F190-L429 HydrophobicContact CE1-CG 4.31Å; F190-F430 HydrophobicContact CB-CD2 3.81Å; F190-F430 HydrophobicContact CB-CE2 4.11Å; F190-V433 HydrophobicContact CE1-CG2 4.46Å; F190-V433 HydrophobicContact CZ-CG2 4.45Å |
| 191 | G | 91.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -120.5 | -10.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L187 R203 F204 | L187-G191 WeakPolarHBondContact O-CA 3.16Å; L187-G191 PolarHBondContact O-N 3.35Å; G191-R203 PolarHBondContact O-N 3.03Å; G191-F204 WeakPolarHBondContact O-CD1 3.24Å |
| 192 | N | 91.1 | Very high | 86 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 153.4 | 175.8 | -61.9 | 15.6 | 0 | 0 | 0 | 111.9 | E188 N200 S201 S202 Y243 H244 | E188-N192 HydrophobicContact CB-CB 4.48Å; E188-N192 VanDerWaalsContact O-CB 3.29Å; E188-N192 WeakPolarHBondContact O-CB 3.1Å; E188-N192 PolarHBondContact O-N 3.42Å; N192-N200 WeakPolarHBondContact CB-OD1 3.11Å; N192-N200 PolarHBondContact ND2-OD1 3.43Å; N192-S201 VanDerWaalsContact CA-O 3.29Å; N192-S201 WeakPolarHBondContact CA-O 3.4Å; N192-S202 PolarHBondContact ND2-OG 2.81Å; N192-S202 VanDerWaalsContact OD1-CA 3.28Å; N192-S202 WeakPolarHBondContact OD1-CA 3.43Å; N192-S202 PolarHBondContact OD1-OG 3.41Å; N192-S202 VanDerWaalsContact OD1-OG 3.12Å; N192-Y243 WeakPolarHBondContact O-CA 3.46Å; N192-H244 PolarHBondContact O-CD2 3.11Å; N192-H244 PolarHBondContact O-N 3.49Å |
| 193 | A | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 162.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S201 R203 R232 H244 | A193-S201 PolarHBondContact N-O 3.2Å; A193-S201 WeakPolarHBondContact O-CB 3.36Å; A193-S201 PolarHBondContact O-N 3.14Å; A193-R203 HydrophobicContact CB-CG 4.04Å; A193-R232 VanDerWaalsContact CB-CD 3.44Å; A193-H244 VanDerWaalsContact C-CE1 3.42Å; A193-H244 VanDerWaalsContact CA-CE1 3.48Å; A193-H244 WeakPolarHBondContact CA-CE1 3.39Å |
| 194 | K | 89.4 | Confident | 86.4 | Confident | 18 Ų | 18 | 19.7 Ų | 19.7 | 8% | 0.078 | 10% | 0.104 | C | C | . | . | trans | -77.8 | 125.5 | 168.8 | 173 | -176.7 | -171.4 | -57.8 | 0 | 109.2 | N199 E239 R241 H244 F280 L304 | K194-N199 WeakPolarHBondContact CA-O 3.46Å; K194-E239 PolarHBondContact NZ-O 2.92Å; K194-R241 HydrophobicContact CB-CB 3.98Å; K194-R241 HydrophobicContact CB-CG 3.95Å; K194-R241 HydrophobicContact CD-CG 4.28Å; K194-R241 PolarHBondContact O-N 3.23Å; K194-H244 PolarHBondContact N-CE1 3.28Å; K194-F280 HydrophobicContact CB-CE2 4.38Å; K194-F280 HydrophobicContact CB-CZ 4.41Å; K194-F280 HydrophobicContact CD-CZ 3.99Å; K194-F280 HydrophobicContact CG-CZ 4.43Å; K194-L304 HydrophobicContact CD-CD1 4.3Å | ||
| 195 | T | 83.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -100.7 | -178.5 | 162.9 | 64 | 0 | 0 | 0 | 0 | 111.2 | R197 N198 E240 | T195-R197 VanDerWaalsContact C-N 3.28Å; T195-R197 PolarHBondContact OG1-N 2.65Å; T195-N198 PolarHBondContact N-O 2.94Å; T195-N198 PolarHBondContact OG1-N 3.23Å; T195-N198 VanDerWaalsContact OG1-N 3.12Å; T195-N198 PolarHBondContact OG1-O 3.29Å; T195-E240 WeakPolarHBondContact CA-OE1 3.39Å; T195-E240 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 196 | V | 79.5 | Confident | 86.2 | Confident | 80 Ų | 80 | 18.5 Ų | 18.5 | 49% | 0.485 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -63.4 | -35 | 169.9 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | E240 F461 | V196-E240 HydrophobicContact CG2-CG 3.94Å; V196-E240 PolarHBondContact N-OE1 3.32Å; V196-E240 VanDerWaalsContact N-OE1 3.1Å; V196-F461 HydrophobicContact CB-CD1 4.23Å; V196-F461 HydrophobicContact CB-CE1 4.24Å |
| 197 | R | 72.3 | Confident | 86.2 | Confident | 72 Ų | 72 | 18.3 Ų | 18.3 | 27% | 0.272 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -98.4 | -13.5 | -174.1 | -78.7 | -178.3 | 176.6 | -140.1 | 1.5 | 115.8 | E150 T195 Y460 F461 M674 | E150-R197 IonicContact OE2-NH1 3.8Å; E150-R197 PolarHBondContact OE2-NH1 3.02Å; T195-R197 VanDerWaalsContact C-N 3.28Å; T195-R197 PolarHBondContact OG1-N 2.65Å; R197-Y460 PolarHBondContact NE-O 2.72Å; R197-Y460 PolarHBondContact NH2-O 2.86Å; R197-F461 HydrophobicContact CB-CE1 3.95Å; R197-F461 HydrophobicContact CG-CD1 4.12Å; R197-F461 HydrophobicContact CG-CE1 3.7Å; R197-M674 WeakPolarHBondContact O-CE 3.13Å |
| 198 | N | 78.7 | Confident | 86.1 | Confident | 33 Ų | 33 | 18.2 Ų | 18.2 | 18% | 0.176 | 10% | 0.095 | C | C | . | . | trans | -153.4 | 129.5 | -176.7 | 177.8 | 9.4 | 0 | 0 | 0 | 111.2 | S151 T195 N200 S201 | S151-N198 PolarHBondContact OG-ND2 3.44Å; T195-N198 PolarHBondContact N-O 2.94Å; T195-N198 PolarHBondContact OG1-N 3.23Å; T195-N198 VanDerWaalsContact OG1-N 3.12Å; T195-N198 PolarHBondContact OG1-O 3.29Å; N198-N200 PolarHBondContact ND2-O 3.43Å; N198-N200 PolarHBondContact OD1-N 2.87Å; N198-S201 WeakPolarHBondContact ND2-CA 3.47Å | ||
| 199 | N | 84.4 | Confident | 86.2 | Confident | 46 Ų | 46 | 17.1 Ų | 17.1 | 25% | 0.246 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -31.3 | -178.5 | -70.9 | -25.3 | 0 | 0 | 0 | 113.9 | K194 H244 F280 D306 L309 | K194-N199 WeakPolarHBondContact CA-O 3.46Å; N199-H244 PolarHBondContact O-CE1 2.99Å; N199-H244 VanDerWaalsContact O-CE1 3.25Å; N199-H244 PolarHBondContact O-NE2 2.73Å; N199-F280 HydrophobicContact CB-CE1 3.98Å; N199-F280 HydrophobicContact CB-CE2 4.41Å; N199-F280 HydrophobicContact CB-CZ 3.57Å; N199-D306 WeakPolarHBondContact CB-OD2 3.38Å; N199-D306 PolarHBondContact ND2-OD2 3.48Å; N199-L309 HydrophobicContact CB-CD1 3.73Å |
| 200 | N | 86.2 | Confident | 86 | Confident | 43 Ų | 43 | 17.1 Ų | 17.1 | 23% | 0.23 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 66.4 | 178.5 | -167.3 | 5.4 | 0 | 0 | 0 | 109.5 | E188 N192 N198 L309 | E188-N200 PolarHBondContact OE2-ND2 2.9Å; N192-N200 WeakPolarHBondContact CB-OD1 3.11Å; N192-N200 PolarHBondContact ND2-OD1 3.43Å; N198-N200 PolarHBondContact ND2-O 3.43Å; N198-N200 PolarHBondContact OD1-N 2.87Å; N200-L309 HydrophobicContact CB-CD1 4.11Å; N200-L309 HydrophobicContact CB-CD2 4.13Å; N200-L309 HydrophobicContact CB-CG 4.42Å |
| 201 | S | 83.7 | Confident | 85.8 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.4 | -177 | -158.5 | 0 | 0 | 0 | 0 | 111.1 | S151 N192 A193 N198 R203 | S151-S201 PolarHBondContact OG-OG 3.05Å; N192-S201 VanDerWaalsContact CA-O 3.29Å; N192-S201 WeakPolarHBondContact CA-O 3.4Å; A193-S201 PolarHBondContact N-O 3.2Å; A193-S201 WeakPolarHBondContact O-CB 3.36Å; A193-S201 PolarHBondContact O-N 3.14Å; N198-S201 WeakPolarHBondContact ND2-CA 3.47Å; S201-R203 WeakPolarHBondContact O-CG 3.38Å; S201-R203 PolarHBondContact O-N 3.19Å |
| 202 | S | 84.4 | Confident | 85.7 | Confident | 19 Ų | 19 | 18 Ų | 18 | 13% | 0.133 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 124.1 | 168.6 | -56.1 | 0 | 0 | 0 | 0 | 111 | N192 | N192-S202 PolarHBondContact ND2-OG 2.81Å; N192-S202 VanDerWaalsContact OD1-CA 3.28Å; N192-S202 WeakPolarHBondContact OD1-CA 3.43Å; N192-S202 PolarHBondContact OD1-OG 3.41Å; N192-S202 VanDerWaalsContact OD1-OG 3.12Å |
| 203 | R | 85.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | trans | -109 | 26.4 | 177.8 | -49.6 | -54.4 | -67.1 | 172.6 | -5 | 112.1 | G191 A193 S201 L228 E229 Y243 E459 | G191-R203 PolarHBondContact O-N 3.03Å; A193-R203 HydrophobicContact CB-CG 4.04Å; S201-R203 WeakPolarHBondContact O-CG 3.38Å; S201-R203 PolarHBondContact O-N 3.19Å; R203-L228 WeakPolarHBondContact O-CA 3.4Å; R203-E229 HydrophobicContact CB-CB 4Å; R203-E229 WeakPolarHBondContact CB-OE2 3.44Å; R203-E229 WeakPolarHBondContact CG-OE2 3.28Å; R203-E229 IonicContact CZ-OE1 3.83Å; R203-E229 IonicContact CZ-OE2 3.76Å; R203-E229 IonicContact NE-OE1 2.73Å; R203-E229 PolarHBondContact NE-OE1 3.12Å; R203-E229 IonicContact NE-OE2 3.73Å; R203-E229 PolarHBondContact NE-OE2 3.12Å; R203-E229 IonicContact NH2-OE1 2.89Å; R203-E229 PolarHBondContact NH2-OE1 3.14Å; R203-E229 IonicContact NH2-OE2 2.83Å; R203-E229 PolarHBondContact O-N 3.05Å; R203-Y243 HydrophobicContact CB-CE1 3.98Å; R203-Y243 HydrophobicContact CG-CE1 4.44Å; R203-E459 IonicContact CZ-OE1 3.14Å; R203-E459 IonicContact CZ-OE2 3.46Å; R203-E459 IonicContact NH1-OE1 3.22Å; R203-E459 PolarHBondContact NH1-OE1 3.31Å; R203-E459 IonicContact NH1-OE2 2.81Å; R203-E459 PolarHBondContact NH1-OE2 3.5Å; R203-E459 IonicContact NH2-OE2 2.69Å; R203-E459 PolarHBondContact NH2-OE2 2.92Å | ||
| 204 | F | 84.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -146.4 | 156.3 | 170.4 | 72.5 | -74.6 | 0 | 0 | 0 | 108.9 | L187 G191 K206 H225 L228 F430 | L187-F204 HydrophobicContact CB-CZ 4.35Å; G191-F204 WeakPolarHBondContact O-CD1 3.24Å; F204-K206 HydrophobicContact CD2-CB 4.35Å; F204-K206 HydrophobicContact CE2-CB 3.75Å; F204-K206 HydrophobicContact CE2-CG 4.06Å; F204-K206 HydrophobicContact CZ-CB 4.39Å; F204-H225 HydrophobicContact CD2-CB 4.06Å; F204-H225 HydrophobicContact CE2-CB 4.46Å; F204-L228 HydrophobicContact CB-CD1 4.16Å; F204-F430 HydrophobicContact CB-CE1 4.36Å; F204-F430 HydrophobicContact CB-CZ 4.44Å; F204-F430 AromaticContact CD1-CZ 3.92Å; F204-F430 HydrophobicContact CD1-CZ 3.92Å; F204-F430 HydrophobicContact CD2-CE1 4.07Å; F204-F430 AromaticContact CD2-CZ 3.78Å; F204-F430 HydrophobicContact CD2-CZ 3.78Å; F204-F430 HydrophobicContact CE1-CZ 4.07Å; F204-F430 AromaticContact CE2-CZ 3.91Å; F204-F430 HydrophobicContact CE2-CZ 3.91Å; F204-F430 HydrophobicContact CG-CE1 4.12Å; F204-F430 AromaticContact CG-CZ 3.79Å; F204-F430 HydrophobicContact CG-CZ 3.79Å; F204-F430 HydrophobicContact CZ-CZ 4.06Å |
| 205 | G | 81.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | H225 Y226 | G205-H225 CarbonylContact O-C 3.28Å; G205-H225 WeakPolarHBondContact O-CA 3.28Å; G205-Y226 PolarHBondContact N-O 3.16Å; G205-Y226 PolarHBondContact O-N 3.22Å |
| 206 | K | 86.1 | Confident | 85.4 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 9% | 0.087 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.5 | -177.8 | -169.6 | -168.3 | -174.9 | -166.4 | 0 | 109.6 | N184 F204 V208 V223 D454 | N184-K206 PolarHBondContact OD1-NZ 3.46Å; F204-K206 HydrophobicContact CD2-CB 4.35Å; F204-K206 HydrophobicContact CE2-CB 3.75Å; F204-K206 HydrophobicContact CE2-CG 4.06Å; F204-K206 HydrophobicContact CZ-CB 4.39Å; K206-V208 HydrophobicContact CD-CG2 3.85Å; K206-V208 VanDerWaalsContact CE-CG2 3.45Å; K206-V208 HydrophobicContact CG-CG2 3.89Å; K206-V223 HydrophobicContact CG-CG1 3.97Å; K206-D454 PolarHBondContact N-O 3.13Å; K206-D454 PolarHBondContact O-N 3.15Å; K206-D454 VanDerWaalsContact O-O 3.1Å |
| 207 | F | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 111.2 | 171.8 | -172.5 | -117.2 | 0 | 0 | 0 | 108.8 | E209 S224 Y226 F449 V452 L453 L653 K656 L657 | F207-E209 HydrophobicContact CD1-CG 3.58Å; F207-E209 HydrophobicContact CE1-CG 3.41Å; F207-E209 VanDerWaalsContact CE1-CG 3.41Å; F207-E209 HydrophobicContact CZ-CG 4.29Å; F207-S224 PolarHBondContact N-O 2.91Å; F207-S224 PolarHBondContact O-N 3.16Å; F207-Y226 HydrophobicContact CB-CE2 3.78Å; F207-F449 HydrophobicContact CE1-CE2 4.3Å; F207-F449 HydrophobicContact CZ-CE2 4.2Å; F207-V452 WeakPolarHBondContact CA-O 3.27Å; F207-L453 HydrophobicContact CB-CD1 4.07Å; F207-L453 HydrophobicContact CD2-CB 3.8Å; F207-L453 HydrophobicContact CD2-CD1 4Å; F207-L453 HydrophobicContact CD2-CG 4.46Å; F207-L453 HydrophobicContact CE2-CB 4.26Å; F207-L453 HydrophobicContact CG-CD1 4.48Å; F207-L653 HydrophobicContact CD2-CD1 4.45Å; F207-L653 HydrophobicContact CG-CD1 4.4Å; F207-K656 HydrophobicContact CE1-CD 4.02Å; F207-L657 HydrophobicContact CE2-CD2 4.17Å |
| 208 | V | 89.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.1 | -178.3 | -173.3 | 0 | 0 | 0 | 0 | 109 | L163 I180 K206 V223 G451 V452 | L163-V208 HydrophobicContact CD1-CB 4.14Å; L163-V208 HydrophobicContact CD1-CG1 4Å; L163-V208 HydrophobicContact CD1-CG2 4.22Å; L163-V208 HydrophobicContact CD2-CB 3.98Å; L163-V208 HydrophobicContact CD2-CG1 3.62Å; L163-V208 HydrophobicContact CG-CG1 4.5Å; I180-V208 HydrophobicContact CG2-CG1 4.42Å; K206-V208 HydrophobicContact CD-CG2 3.85Å; K206-V208 VanDerWaalsContact CE-CG2 3.45Å; K206-V208 HydrophobicContact CG-CG2 3.89Å; V208-V223 HydrophobicContact CG1-CG2 4.38Å; V208-V223 HydrophobicContact CG2-CG2 4.34Å; V208-G451 CarbonylContact O-C 3.42Å; V208-G451 WeakPolarHBondContact O-CA 3.36Å; V208-V452 PolarHBondContact N-O 2.7Å; V208-V452 PolarHBondContact O-N 3.33Å |
| 209 | E | 90.4 | Very high | 86.6 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 2% | 0.023 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.8 | -179 | -61.9 | 174.4 | 79.5 | 0 | 0 | 109.4 | F207 G221 F222 S224 F449 K656 | F207-E209 HydrophobicContact CD1-CG 3.58Å; F207-E209 HydrophobicContact CE1-CG 3.41Å; F207-E209 VanDerWaalsContact CE1-CG 3.41Å; F207-E209 HydrophobicContact CZ-CG 4.29Å; E209-G221 CarbonylContact O-C 3.55Å; E209-G221 WeakPolarHBondContact O-CA 3.22Å; E209-F222 HydrophobicContact CB-CB 4.36Å; E209-F222 PolarHBondContact N-O 2.87Å; E209-F222 PolarHBondContact O-N 3.49Å; E209-S224 PolarHBondContact OE2-OG 3.43Å; E209-F449 HydrophobicContact CB-CD2 4.42Å; E209-F449 HydrophobicContact CG-CD2 4.16Å; E209-K656 WeakPolarHBondContact OE1-CE 3.21Å; E209-K656 IonicContact OE1-NZ 2.64Å; E209-K656 PolarHBondContact OE1-NZ 2.88Å; E209-K656 IonicContact OE2-NZ 3.47Å; E209-K656 PolarHBondContact OE2-NZ 3.37Å |
| 210 | I | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.6 | 167.9 | -56.7 | -56.5 | 0 | 0 | 0 | 107.5 | L163 L166 T167 I180 F212 V218 F449 I450 | L163-I210 HydrophobicContact CD2-CD1 3.88Å; L163-I210 HydrophobicContact CD2-CG1 3.86Å; L166-I210 HydrophobicContact CD1-CG1 4.43Å; T167-I210 HydrophobicContact CG2-CD1 4.07Å; I180-I210 HydrophobicContact CD1-CD1 3.48Å; I180-I210 VanDerWaalsContact CD1-CD1 3.48Å; I210-F212 HydrophobicContact CB-CE2 3.98Å; I210-F212 HydrophobicContact CB-CZ 4.39Å; I210-F212 HydrophobicContact CG2-CD2 4.42Å; I210-F212 HydrophobicContact CG2-CE2 3.64Å; I210-F212 HydrophobicContact CG2-CZ 3.7Å; I210-F212 VanDerWaalsContact O-CD2 3.28Å; I210-F212 WeakPolarHBondContact O-CD2 3.33Å; I210-F212 VanDerWaalsContact O-CE2 3.28Å; I210-F212 WeakPolarHBondContact O-CE2 3.3Å; I210-V218 HydrophobicContact CG2-CB 4.36Å; I210-V218 HydrophobicContact CG2-CG1 3.72Å; I210-V218 HydrophobicContact CG2-CG2 3.72Å; I210-F449 CarbonylContact O-C 3.52Å; I210-F449 WeakPolarHBondContact O-CA 3.49Å; I210-F449 WeakPolarHBondContact O-CB 3.16Å; I210-I450 PolarHBondContact N-O 3.2Å; I210-I450 PolarHBondContact O-N 2.73Å |
| 211 | H | 89.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 24.1 Ų | 24.1 | 7% | 0.074 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.3 | -176 | -72.1 | -90 | 0 | 0 | 0 | 111.8 | V218 V219 G220 S446 | H211-V218 WeakPolarHBondContact O-CA 3.47Å; H211-V219 HydrophobicContact CB-CG2 4.28Å; H211-V219 WeakPolarHBondContact O-CG2 3.44Å; H211-V219 PolarHBondContact O-N 2.79Å; H211-G220 PolarHBondContact N-O 3.12Å; H211-S446 PolarHBondContact ND1-OG 3.03Å |
| 212 | F | 89.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.8 | -176.9 | -61.8 | -96.8 | 0 | 0 | 0 | 111.4 | Y133 M136 I210 A217 V218 S447 N448 I450 | Y133-F212 HydrophobicContact CD2-CD1 4.41Å; Y133-F212 AromaticContact CD2-CE1 3.8Å; Y133-F212 HydrophobicContact CD2-CE1 3.8Å; Y133-F212 HydrophobicContact CD2-CZ 4.18Å; Y133-F212 HydrophobicContact CE2-CD1 4.08Å; Y133-F212 AromaticContact CE2-CE1 3.79Å; Y133-F212 HydrophobicContact CE2-CE1 3.79Å; M136-F212 HydrophobicContact CE-CB 4Å; M136-F212 HydrophobicContact CE-CD1 3.91Å; M136-F212 HydrophobicContact CE-CD2 3.77Å; M136-F212 HydrophobicContact CE-CE1 4.29Å; M136-F212 HydrophobicContact CE-CE2 4.19Å; M136-F212 HydrophobicContact CE-CG 3.63Å; M136-F212 HydrophobicContact CE-CZ 4.43Å; M136-F212 HydrophobicContact SD-CB 4.28Å; M136-F212 HydrophobicContact SD-CD2 3.66Å; M136-F212 HydrophobicContact SD-CE2 4.19Å; M136-F212 HydrophobicContact SD-CG 4.04Å; I210-F212 HydrophobicContact CB-CE2 3.98Å; I210-F212 HydrophobicContact CB-CZ 4.39Å; I210-F212 HydrophobicContact CG2-CD2 4.42Å; I210-F212 HydrophobicContact CG2-CE2 3.64Å; I210-F212 HydrophobicContact CG2-CZ 3.7Å; I210-F212 VanDerWaalsContact O-CD2 3.28Å; I210-F212 WeakPolarHBondContact O-CD2 3.33Å; I210-F212 VanDerWaalsContact O-CE2 3.28Å; I210-F212 WeakPolarHBondContact O-CE2 3.3Å; F212-A217 WeakPolarHBondContact CA-O 3.21Å; F212-V218 HydrophobicContact CD1-CG2 4.02Å; F212-V218 HydrophobicContact CE1-CG2 3.46Å; F212-V218 VanDerWaalsContact CE1-CG2 3.46Å; F212-V218 HydrophobicContact CZ-CG2 3.9Å; F212-S447 PolarHBondContact O-N 3.43Å; F212-N448 PolarHBondContact N-O 2.91Å; F212-N448 PolarHBondContact O-N 2.76Å; F212-N448 VanDerWaalsContact O-N 3.14Å; F212-I450 HydrophobicContact CD2-CG1 4.28Å; F212-I450 HydrophobicContact CE2-CB 3.98Å; F212-I450 HydrophobicContact CE2-CD1 3.62Å; F212-I450 HydrophobicContact CE2-CG1 3.6Å; F212-I450 HydrophobicContact CZ-CD1 3.76Å; F212-I450 HydrophobicContact CZ-CG1 4.26Å |
| 213 | N | 88.7 | Confident | 86.9 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 22% | 0.219 | 14% | 0.139 | C | C | . | . | trans | -83.6 | -179.9 | 172.2 | 62.3 | 26.2 | 0 | 0 | 0 | 112.3 | K215 N216 A217 V219 | N213-K215 PolarHBondContact O-N 3.23Å; N213-K215 WeakPolarHBondContact OD1-CA 3.34Å; N213-K215 WeakPolarHBondContact OD1-CB 3.42Å; N213-K215 PolarHBondContact OD1-N 3.06Å; N213-K215 VanDerWaalsContact OD1-N 3.11Å; N213-N216 VanDerWaalsContact O-CA 3.3Å; N213-N216 WeakPolarHBondContact O-CA 3.3Å; N213-N216 PolarHBondContact O-N 3.39Å; N213-N216 PolarHBondContact OD1-N 3.29Å; N213-N216 VanDerWaalsContact OD1-N 3.11Å; N213-A217 PolarHBondContact N-O 2.87Å; N213-A217 PolarHBondContact OD1-N 3.32Å; N213-A217 PolarHBondContact OD1-O 3.4Å; N213-V219 HydrophobicContact CB-CG1 3.86Å; N213-V219 HydrophobicContact CB-CG2 4.48Å; N213-V219 WeakPolarHBondContact ND2-CG1 3.41Å | ||
| 214 | D | 86.8 | Confident | 86.9 | Confident | 126 Ų | 126 | 28.1 Ų | 28.1 | 67% | 0.674 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.2 | 179.4 | -56.8 | -47 | 0 | 0 | 0 | 113.8 | N216 S447 | D214-N216 PolarHBondContact O-N 2.89Å; D214-N216 PolarHBondContact O-ND2 3.41Å; D214-S447 PolarHBondContact N-OG 2.86Å; D214-S447 VanDerWaalsContact N-OG 3.16Å; D214-S447 WeakPolarHBondContact OD1-CB 3.45Å; D214-S447 PolarHBondContact OD1-OG 3.46Å |
| 215 | K | 86.9 | Confident | 87 | Confident | 187 Ų | 187 | 29.1 Ų | 29.1 | 81% | 0.813 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7 | 172.6 | -60.7 | -179.9 | -179.6 | 177.1 | 0 | 112.2 | N213 A217 | N213-K215 PolarHBondContact O-N 3.23Å; N213-K215 WeakPolarHBondContact OD1-CA 3.34Å; N213-K215 WeakPolarHBondContact OD1-CB 3.42Å; N213-K215 PolarHBondContact OD1-N 3.06Å; N213-K215 VanDerWaalsContact OD1-N 3.11Å; K215-A217 VanDerWaalsContact C-N 3.31Å |
| 216 | N | 86.9 | Confident | 86.8 | Confident | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 15% | 0.151 | C | C | . | . | trans | 65.9 | 29.7 | -178.8 | -31.2 | -100.8 | 0 | 0 | 0 | 112.3 | Y133 K137 K140 N213 D214 | Y133-N216 HydrophobicContact CE2-CB 4.14Å; Y133-N216 VanDerWaalsContact CE2-O 3.28Å; Y133-N216 WeakPolarHBondContact CE2-O 3.27Å; Y133-N216 PolarHBondContact OH-O 2.96Å; K137-N216 HydrophobicContact CD-CB 4.47Å; K140-N216 PolarHBondContact NZ-OD1 3.25Å; K140-N216 VanDerWaalsContact NZ-OD1 3.08Å; N213-N216 VanDerWaalsContact O-CA 3.3Å; N213-N216 WeakPolarHBondContact O-CA 3.3Å; N213-N216 PolarHBondContact O-N 3.39Å; N213-N216 PolarHBondContact OD1-N 3.29Å; N213-N216 VanDerWaalsContact OD1-N 3.11Å; D214-N216 PolarHBondContact O-N 2.89Å; D214-N216 PolarHBondContact O-ND2 3.41Å | ||
| 217 | A | 86 | Confident | 86.2 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 25% | 0.248 | 16% | 0.156 | C | C | . | . | trans | -98.9 | 149.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F212 N213 K215 | F212-A217 WeakPolarHBondContact CA-O 3.21Å; N213-A217 PolarHBondContact N-O 2.87Å; N213-A217 PolarHBondContact OD1-N 3.32Å; N213-A217 PolarHBondContact OD1-O 3.4Å; K215-A217 VanDerWaalsContact C-N 3.31Å | ||
| 218 | V | 85.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.3 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | Y170 S172 I176 I210 H211 F212 | Y170-V218 PolarHBondContact O-N 3.27Å; S172-V218 PolarHBondContact OG-O 3.36Å; I176-V218 HydrophobicContact CD1-CG1 4.04Å; I176-V218 HydrophobicContact CG2-CG1 4.42Å; I210-V218 HydrophobicContact CG2-CB 4.36Å; I210-V218 HydrophobicContact CG2-CG1 3.72Å; I210-V218 HydrophobicContact CG2-CG2 3.72Å; H211-V218 WeakPolarHBondContact O-CA 3.47Å; F212-V218 HydrophobicContact CD1-CG2 4.02Å; F212-V218 HydrophobicContact CE1-CG2 3.46Å; F212-V218 VanDerWaalsContact CE1-CG2 3.46Å; F212-V218 HydrophobicContact CZ-CG2 3.9Å |
| 219 | V | 83.4 | Confident | 85.6 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 11% | 0.109 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | -5.8 | -176.4 | -71.9 | 0 | 0 | 0 | 0 | 114.6 | H211 N213 P442 A445 | H211-V219 HydrophobicContact CB-CG2 4.28Å; H211-V219 WeakPolarHBondContact O-CG2 3.44Å; H211-V219 PolarHBondContact O-N 2.79Å; N213-V219 HydrophobicContact CB-CG1 3.86Å; N213-V219 HydrophobicContact CB-CG2 4.48Å; N213-V219 WeakPolarHBondContact ND2-CG1 3.41Å; V219-P442 VanDerWaalsContact O-O 3.11Å; V219-A445 WeakPolarHBondContact CG2-O 3.23Å |
| 220 | G | 83 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H211 P442 | H211-G220 PolarHBondContact N-O 3.12Å; G220-P442 WeakPolarHBondContact CA-O 3.36Å |
| 221 | G | 85.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 159.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | E209 F441 | E209-G221 CarbonylContact O-C 3.55Å; E209-G221 WeakPolarHBondContact O-CA 3.22Å; G221-F441 WeakPolarHBondContact O-CB 3.04Å; G221-F441 WeakPolarHBondContact O-CD2 3.43Å |
| 222 | F | 87.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 35.3 Ų | 35.3 | 38% | 0.377 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 133.5 | 172.4 | -170.5 | -97.8 | 0 | 0 | 0 | 110.4 | E209 S224 N438 | E209-F222 HydrophobicContact CB-CB 4.36Å; E209-F222 PolarHBondContact N-O 2.87Å; E209-F222 PolarHBondContact O-N 3.49Å; F222-S224 WeakPolarHBondContact CE1-OG 3.06Å; F222-N438 HydrophobicContact CD2-CB 4.15Å; F222-N438 HydrophobicContact CE2-CB 4.1Å; F222-N438 WeakPolarHBondContact CE2-ND2 3.44Å |
| 223 | V | 88 | Confident | 84.9 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | L187 K206 V208 V434 V437 N438 F441 | L187-V223 HydrophobicContact CD1-CG1 4.41Å; K206-V223 HydrophobicContact CG-CG1 3.97Å; V208-V223 HydrophobicContact CG1-CG2 4.38Å; V208-V223 HydrophobicContact CG2-CG2 4.34Å; V223-V434 HydrophobicContact CG1-CG1 4.49Å; V223-V434 WeakPolarHBondContact O-CG1 3.29Å; V223-V437 HydrophobicContact CG2-CG1 4.48Å; V223-N438 WeakPolarHBondContact CA-OD1 3.14Å; V223-N438 WeakPolarHBondContact CB-OD1 2.97Å; V223-N438 PolarHBondContact N-OD1 2.78Å; V223-N438 PolarHBondContact O-ND2 3.24Å; V223-F441 HydrophobicContact CG2-CE2 4.04Å; V223-F441 HydrophobicContact CG2-CZ 4.36Å |
| 224 | S | 86.6 | Confident | 84.9 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.8 | 163.8 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | F207 E209 F222 | F207-S224 PolarHBondContact N-O 2.91Å; F207-S224 PolarHBondContact O-N 3.16Å; E209-S224 PolarHBondContact OE2-OG 3.43Å; F222-S224 WeakPolarHBondContact CE1-OG 3.06Å |
| 225 | H | 85.6 | Confident | 84.7 | Confident | 29 Ų | 29 | 29.3 Ų | 29.3 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 152.5 | 172.6 | 88.4 | -98.7 | 0 | 0 | 0 | 110.2 | F204 G205 F430 D431 V434 | F204-H225 HydrophobicContact CD2-CB 4.06Å; F204-H225 HydrophobicContact CE2-CB 4.46Å; G205-H225 CarbonylContact O-C 3.28Å; G205-H225 WeakPolarHBondContact O-CA 3.28Å; H225-F430 HydrophobicContact CB-CE1 4.06Å; H225-F430 AromaticContact CD2-CD1 3.9Å; H225-F430 AromaticContact CD2-CE1 3.65Å; H225-F430 AromaticContact CG-CE1 3.72Å; H225-F430 AromaticContact NE2-CD1 3.96Å; H225-D431 IonicContact CE1-OD1 3.94Å; H225-D431 PolarHBondContact CE1-OD1 3.18Å; H225-D431 IonicContact NE2-OD1 2.77Å; H225-V434 HydrophobicContact CB-CG1 4.42Å; H225-V434 HydrophobicContact CB-CG2 4.19Å |
| 226 | Y | 77.9 | Confident | 84.6 | Confident | 22 Ų | 22 | 21.3 Ų | 21.3 | 9% | 0.086 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 152.5 | 179.8 | -52.9 | -86.5 | 0 | 0 | 0 | 110.5 | G205 F207 L228 Q649 L653 | G205-Y226 PolarHBondContact N-O 3.16Å; G205-Y226 PolarHBondContact O-N 3.22Å; F207-Y226 HydrophobicContact CB-CE2 3.78Å; Y226-L228 PolarHBondContact O-N 3.04Å; Y226-Q649 HydrophobicContact CD1-CB 3.98Å; Y226-Q649 HydrophobicContact CD1-CG 4.23Å; Y226-Q649 WeakPolarHBondContact CD1-O 3.47Å; Y226-Q649 WeakPolarHBondContact CE1-O 3.29Å; Y226-L653 HydrophobicContact CD1-CB 4.45Å; Y226-L653 HydrophobicContact CD2-CD2 4.13Å; Y226-L653 HydrophobicContact CE1-CB 4.04Å; Y226-L653 HydrophobicContact CE2-CB 4.5Å; Y226-L653 HydrophobicContact CE2-CD1 3.95Å; Y226-L653 HydrophobicContact CE2-CD2 4.24Å; Y226-L653 HydrophobicContact CE2-CG 4.46Å; Y226-L653 HydrophobicContact CG-CD2 4.41Å |
| 227 | L | 73.3 | Confident | 84.3 | Confident | 40 Ų | 40 | 23.5 Ų | 23.5 | 21% | 0.209 | 13% | 0.128 | C | C | . | . | trans | 55.5 | 49.7 | 163.3 | -47.2 | -176.9 | 0 | 0 | 0 | 115.5 | E229 C474 F644 Q649 | L227-E229 PolarHBondContact O-N 3.37Å; L227-C474 HydrophobicContact CD1-CB 3.93Å; L227-C474 WeakPolarHBondContact CD1-SG 3.46Å; L227-F644 HydrophobicContact CD1-CE1 4.34Å; L227-F644 HydrophobicContact CD1-CE2 3.97Å; L227-F644 HydrophobicContact CD1-CZ 3.63Å; L227-F644 HydrophobicContact CD2-CD2 3.86Å; L227-F644 HydrophobicContact CD2-CE1 4.42Å; L227-F644 HydrophobicContact CD2-CE2 3.63Å; L227-F644 HydrophobicContact CD2-CG 4.36Å; L227-F644 HydrophobicContact CD2-CZ 3.94Å; L227-F644 HydrophobicContact CG-CE2 4.24Å; L227-F644 HydrophobicContact CG-CZ 4.35Å; L227-Q649 HydrophobicContact CD2-CB 4.44Å | ||
| 228 | L | 84.1 | Confident | 84.1 | Confident | 20 Ų | 20 | 28.6 Ų | 28.6 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | trans | -64.4 | 125.6 | 170.1 | -175.5 | 71.9 | 0 | 0 | 0 | 110.7 | R203 F204 Y226 K230 Y243 Y426 F430 | R203-L228 WeakPolarHBondContact O-CA 3.4Å; F204-L228 HydrophobicContact CB-CD1 4.16Å; Y226-L228 PolarHBondContact O-N 3.04Å; L228-K230 PolarHBondContact O-N 2.99Å; L228-Y243 HydrophobicContact CD1-CE1 3.92Å; L228-Y243 WeakPolarHBondContact CD1-OH 3.2Å; L228-Y426 HydrophobicContact CD2-CD1 4.38Å; L228-Y426 HydrophobicContact CD2-CE1 4.46Å; L228-F430 HydrophobicContact CD1-CD1 4.13Å; L228-F430 HydrophobicContact CD1-CE1 4.11Å; L228-F430 HydrophobicContact CD1-CG 4.4Å; L228-F430 HydrophobicContact CD1-CZ 4.38Å; L228-F430 HydrophobicContact CD2-CB 3.94Å; L228-F430 HydrophobicContact CD2-CD1 3.9Å; L228-F430 HydrophobicContact CD2-CG 4Å; L228-F430 HydrophobicContact CG-CD1 4.42Å | ||
| 229 | E | 82.8 | Confident | 84 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | trans | -71.3 | 84.8 | 177.4 | -175 | -167.8 | -145.5 | 0 | 0 | 111.1 | R203 L227 S231 R232 Y243 E467 | R203-E229 HydrophobicContact CB-CB 4Å; R203-E229 WeakPolarHBondContact CB-OE2 3.44Å; R203-E229 WeakPolarHBondContact CG-OE2 3.28Å; R203-E229 IonicContact CZ-OE1 3.83Å; R203-E229 IonicContact CZ-OE2 3.76Å; R203-E229 IonicContact NE-OE1 2.73Å; R203-E229 PolarHBondContact NE-OE1 3.12Å; R203-E229 IonicContact NE-OE2 3.73Å; R203-E229 PolarHBondContact NE-OE2 3.12Å; R203-E229 IonicContact NH2-OE1 2.89Å; R203-E229 PolarHBondContact NH2-OE1 3.14Å; R203-E229 IonicContact NH2-OE2 2.83Å; R203-E229 PolarHBondContact O-N 3.05Å; L227-E229 PolarHBondContact O-N 3.37Å; E229-S231 PolarHBondContact O-N 3.24Å; E229-R232 HydrophobicContact CG-CB 4.15Å; E229-R232 PolarHBondContact O-N 2.94Å; E229-R232 IonicContact OE1-CZ 2.77Å; E229-R232 IonicContact OE1-NE 3.42Å; E229-R232 IonicContact OE1-NH2 3.65Å; E229-R232 PolarHBondContact OE1-NH2 3.36Å; E229-R232 IonicContact OE2-CZ 3.57Å; E229-R232 IonicContact OE2-NE 3.71Å; E229-R232 PolarHBondContact OE2-NE 3.41Å; E229-R232 IonicContact OE2-NH2 2.67Å; E229-R232 PolarHBondContact OE2-NH2 2.9Å; E229-Y243 PolarHBondContact N-OH 2.81Å; E229-Y243 PolarHBondContact O-OH 2.77Å; E229-E467 HydrophobicContact CG-CB 4.25Å; E229-E467 HydrophobicContact CG-CG 3.85Å; E229-E467 WeakPolarHBondContact OE1-CB 3.46Å | ||
| 230 | K | 83.8 | Confident | 84.3 | Confident | 52 Ų | 52 | 34.5 Ų | 34.5 | 23% | 0.226 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -64.9 | -34.3 | -175.8 | -59.5 | -169.6 | -173.4 | -176.8 | 0 | 114.2 | L228 R232 I233 K423 S427 D597 | L228-K230 PolarHBondContact O-N 2.99Å; K230-R232 PolarHBondContact O-N 2.9Å; K230-I233 HydrophobicContact CB-CD1 4.32Å; K230-I233 VanDerWaalsContact O-CB 3.27Å; K230-I233 WeakPolarHBondContact O-CB 3.33Å; K230-I233 VanDerWaalsContact O-CD1 3.27Å; K230-I233 WeakPolarHBondContact O-CD1 3.42Å; K230-I233 VanDerWaalsContact O-CG1 3.23Å; K230-I233 WeakPolarHBondContact O-CG1 3.44Å; K230-I233 PolarHBondContact O-N 3.39Å; K230-I233 VanDerWaalsContact O-N 3.09Å; K230-K423 HydrophobicContact CB-CB 4.29Å; K230-K423 HydrophobicContact CB-CG 4.2Å; K230-K423 HydrophobicContact CD-CB 4.33Å; K230-S427 WeakPolarHBondContact CE-OG 3.33Å; K230-D597 IonicContact NZ-OD1 2.67Å; K230-D597 IonicContact NZ-OD2 3.17Å; K230-D597 PolarHBondContact NZ-OD2 2.79Å |
| 231 | S | 81.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -63.1 | -28.8 | -176.5 | 47 | 0 | 0 | 0 | 0 | 112.7 | E229 I233 C234 M235 E467 | E229-S231 PolarHBondContact O-N 3.24Å; S231-I233 PolarHBondContact O-N 3.22Å; S231-I233 VanDerWaalsContact O-N 3.11Å; S231-C234 PolarHBondContact O-N 3.22Å; S231-M235 PolarHBondContact O-N 3.45Å; S231-E467 WeakPolarHBondContact CB-OE1 3.47Å; S231-E467 VanDerWaalsContact OG-CD 3.27Å; S231-E467 WeakPolarHBondContact OG-CG 3.31Å; S231-E467 PolarHBondContact OG-OE1 3.27Å |
| 232 | R | 87.8 | Confident | 85.1 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -54.9 | -27.6 | 173.5 | -176.2 | 166.9 | -59 | -81.1 | -16.3 | 113.7 | A193 E229 K230 C234 M235 Q236 E240 R241 N242 Y243 | A193-R232 VanDerWaalsContact CB-CD 3.44Å; E229-R232 HydrophobicContact CG-CB 4.15Å; E229-R232 PolarHBondContact O-N 2.94Å; E229-R232 IonicContact OE1-CZ 2.77Å; E229-R232 IonicContact OE1-NE 3.42Å; E229-R232 IonicContact OE1-NH2 3.65Å; E229-R232 PolarHBondContact OE1-NH2 3.36Å; E229-R232 IonicContact OE2-CZ 3.57Å; E229-R232 IonicContact OE2-NE 3.71Å; E229-R232 PolarHBondContact OE2-NE 3.41Å; E229-R232 IonicContact OE2-NH2 2.67Å; E229-R232 PolarHBondContact OE2-NH2 2.9Å; K230-R232 PolarHBondContact O-N 2.9Å; R232-C234 VanDerWaalsContact C-N 3.26Å; R232-C234 PolarHBondContact O-N 3.1Å; R232-M235 VanDerWaalsContact CA-O 3.28Å; R232-M235 WeakPolarHBondContact CA-O 3.48Å; R232-Q236 PolarHBondContact O-NE2 3.01Å; R232-E240 IonicContact CZ-OE2 2.95Å; R232-E240 VanDerWaalsContact CZ-OE2 3.23Å; R232-E240 IonicContact NH1-OE2 2.61Å; R232-E240 PolarHBondContact NH1-OE2 3.01Å; R232-E240 IonicContact NH2-OE2 3.97Å; R232-E240 PolarHBondContact NH2-OE2 3.08Å; R232-R241 WeakPolarHBondContact CD-O 3.15Å; R232-R241 PolarHBondContact NH1-O 3.3Å; R232-N242 VanDerWaalsContact O-CG 3.23Å; R232-N242 PolarHBondContact O-ND2 2.91Å; R232-N242 PolarHBondContact O-OD1 3.04Å; R232-N242 VanDerWaalsContact O-OD1 3.11Å; R232-Y243 HydrophobicContact CB-CE2 4Å; R232-Y243 HydrophobicContact CG-CD2 4.44Å; R232-Y243 HydrophobicContact CG-CE2 4.2Å |
| 233 | I | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -60.1 | -39 | 177.4 | -58.5 | 160.6 | 0 | 0 | 0 | 110.6 | K230 S231 N242 Y243 Y271 V342 A422 Y426 | K230-I233 HydrophobicContact CB-CD1 4.32Å; K230-I233 VanDerWaalsContact O-CB 3.27Å; K230-I233 WeakPolarHBondContact O-CB 3.33Å; K230-I233 VanDerWaalsContact O-CD1 3.27Å; K230-I233 WeakPolarHBondContact O-CD1 3.42Å; K230-I233 VanDerWaalsContact O-CG1 3.23Å; K230-I233 WeakPolarHBondContact O-CG1 3.44Å; K230-I233 PolarHBondContact O-N 3.39Å; K230-I233 VanDerWaalsContact O-N 3.09Å; S231-I233 PolarHBondContact O-N 3.22Å; S231-I233 VanDerWaalsContact O-N 3.11Å; I233-N242 PolarHBondContact O-ND2 2.77Å; I233-Y243 HydrophobicContact CG1-CD2 4.34Å; I233-Y243 HydrophobicContact CG1-CE2 4.03Å; I233-Y271 WeakPolarHBondContact O-CB 3.45Å; I233-V342 HydrophobicContact CG2-CG1 3.91Å; I233-A422 HydrophobicContact CG2-CB 4.49Å; I233-Y426 HydrophobicContact CD1-CD1 3.66Å; I233-Y426 HydrophobicContact CD1-CG 3.89Å; I233-Y426 HydrophobicContact CG1-CD1 3.96Å; I233-Y426 HydrophobicContact CG1-CG 4.16Å |
| 234 | C | 88.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -27.3 | -172.5 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | S231 R232 Y271 R274 D419 | S231-C234 PolarHBondContact O-N 3.22Å; R232-C234 VanDerWaalsContact C-N 3.26Å; R232-C234 PolarHBondContact O-N 3.1Å; C234-Y271 HydrophobicContact CB-CD1 4.19Å; C234-Y271 HydrophobicContact CB-CE1 3.82Å; C234-R274 PolarHBondContact O-NH1 3.23Å; C234-D419 HydrophobicContact CB-CB 4.35Å; C234-D419 WeakPolarHBondContact CB-OD2 3.4Å |
| 235 | M | 82.2 | Confident | 86.3 | Confident | 40 Ų | 40 | 29.1 Ų | 29.1 | 20% | 0.197 | 15% | 0.15 | C | C | . | . | trans | -138.3 | 136.8 | -171.5 | -71.2 | -70.5 | -76.6 | 0 | 0 | 110.3 | S231 R232 R274 | S231-M235 PolarHBondContact O-N 3.45Å; R232-M235 VanDerWaalsContact CA-O 3.28Å; R232-M235 WeakPolarHBondContact CA-O 3.48Å; M235-R274 PolarHBondContact SD-NH1 2.97Å | ||
| 236 | Q | 85.5 | Confident | 86.8 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | trans | -129.9 | 157.6 | 171.8 | -54.6 | 84 | 39.4 | 0 | 0 | 109.6 | R232 N242 Y271 | R232-Q236 PolarHBondContact O-NE2 3.01Å; Q236-N242 HydrophobicContact CG-CB 4.29Å; Q236-N242 PolarHBondContact NE2-ND2 3.27Å; Q236-Y271 PolarHBondContact NE2-O 2.92Å; Q236-Y271 PolarHBondContact OE1-O 3.24Å | ||
| 237 | S | 80.3 | Confident | 87.7 | Confident | 64 Ų | 64 | 26.7 Ų | 26.7 | 45% | 0.448 | 14% | 0.139 | S | C | . | . | trans | -82.8 | 162.6 | 168.3 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | E240 | S237-E240 WeakPolarHBondContact O-CB 3.49Å; S237-E240 PolarHBondContact O-N 2.98Å; S237-E240 VanDerWaalsContact O-N 3.12Å | ||
| 238 | N | 80.9 | Confident | 88.7 | Confident | 138 Ų | 138 | 25 Ų | 25 | 74% | 0.738 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 142 | 172.5 | -66.7 | -7.3 | 0 | 0 | 0 | 111 | E240 | N238-E240 PolarHBondContact O-N 3.37Š|
| 239 | E | 84.6 | Confident | 89.2 | Confident | 138 Ų | 138 | 24 Ų | 24 | 65% | 0.645 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -5.1 | -174.6 | -53.5 | -164.1 | 169.3 | 0 | 0 | 117.4 | K194 | K194-E239 PolarHBondContact NZ-O 2.92Š|
| 240 | E | 88.4 | Confident | 89.6 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | trans | -84 | 165.3 | 172.1 | -60.1 | -149 | 145.1 | 0 | 0 | 111.9 | T195 V196 R232 S237 N238 G275 C276 | T195-E240 WeakPolarHBondContact CA-OE1 3.39Å; T195-E240 WeakPolarHBondContact CB-OE1 3.45Å; V196-E240 HydrophobicContact CG2-CG 3.94Å; V196-E240 PolarHBondContact N-OE1 3.32Å; V196-E240 VanDerWaalsContact N-OE1 3.1Å; R232-E240 IonicContact CZ-OE2 2.95Å; R232-E240 VanDerWaalsContact CZ-OE2 3.23Å; R232-E240 IonicContact NH1-OE2 2.61Å; R232-E240 PolarHBondContact NH1-OE2 3.01Å; R232-E240 IonicContact NH2-OE2 3.97Å; R232-E240 PolarHBondContact NH2-OE2 3.08Å; S237-E240 WeakPolarHBondContact O-CB 3.49Å; S237-E240 PolarHBondContact O-N 2.98Å; S237-E240 VanDerWaalsContact O-N 3.12Å; N238-E240 PolarHBondContact O-N 3.37Å; E240-G275 WeakPolarHBondContact O-CA 3.28Å; E240-C276 PolarHBondContact O-N 3.44Å | ||
| 241 | R | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -118.3 | 160.8 | 172.3 | -62 | -157.2 | -48.7 | 168.7 | 9.8 | 111.3 | K194 R232 H244 Y247 C276 R278 F280 D311 | K194-R241 HydrophobicContact CB-CB 3.98Å; K194-R241 HydrophobicContact CB-CG 3.95Å; K194-R241 HydrophobicContact CD-CG 4.28Å; K194-R241 PolarHBondContact O-N 3.23Å; R232-R241 WeakPolarHBondContact CD-O 3.15Å; R232-R241 PolarHBondContact NH1-O 3.3Å; R241-H244 PolarHBondContact NH2-ND1 3.4Å; R241-Y247 WeakPolarHBondContact CA-OH 3.28Å; R241-Y247 HydrophobicContact CB-CE2 3.7Å; R241-Y247 WeakPolarHBondContact CB-OH 3.39Å; R241-Y247 HydrophobicContact CG-CE1 4.36Å; R241-Y247 HydrophobicContact CG-CE2 4.39Å; R241-C276 HydrophobicContact CG-CB 4.25Å; R241-R278 PolarHBondContact NH1-O 2.93Å; R241-F280 VanDerWaalsContact NH2-CD2 3.33Å; R241-D311 IonicContact CZ-OD1 2.66Å; R241-D311 IonicContact CZ-OD2 2.72Å; R241-D311 IonicContact NH1-OD1 3.5Å; R241-D311 IonicContact NH1-OD2 2.67Å; R241-D311 PolarHBondContact NH1-OD2 2.64Å; R241-D311 IonicContact NH2-OD1 3.17Å; R241-D311 PolarHBondContact NH2-OD1 3.25Å; R241-D311 IonicContact NH2-OD2 2.67Å; R241-D311 PolarHBondContact NH2-OD2 3.24Å | ||
| 242 | N | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -69.6 | -178.5 | 161.6 | -154.6 | -24.3 | 0 | 0 | 0 | 109.9 | R232 I233 Q236 F246 Y247 Y271 L272 | R232-N242 VanDerWaalsContact O-CG 3.23Å; R232-N242 PolarHBondContact O-ND2 2.91Å; R232-N242 PolarHBondContact O-OD1 3.04Å; R232-N242 VanDerWaalsContact O-OD1 3.11Å; I233-N242 PolarHBondContact O-ND2 2.77Å; Q236-N242 HydrophobicContact CG-CB 4.29Å; Q236-N242 PolarHBondContact NE2-ND2 3.27Å; N242-F246 HydrophobicContact CB-CD2 4.09Å; N242-F246 WeakPolarHBondContact OD1-CE2 3.4Å; N242-Y247 HydrophobicContact CB-CE2 3.89Å; N242-Y247 PolarHBondContact N-OH 3.11Å; N242-Y247 VanDerWaalsContact N-OH 3.14Å; N242-Y271 PolarHBondContact ND2-O 3.32Å; N242-L272 HydrophobicContact CB-CD2 3.7Å |
| 243 | Y | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -55.7 | 141.9 | 177.1 | -69 | -80.6 | 0 | 0 | 0 | 112.6 | F190 N192 R203 L228 E229 R232 I233 I245 F246 Y426 | F190-Y243 WeakPolarHBondContact O-CD1 3.34Å; N192-Y243 WeakPolarHBondContact O-CA 3.46Å; R203-Y243 HydrophobicContact CB-CE1 3.98Å; R203-Y243 HydrophobicContact CG-CE1 4.44Å; L228-Y243 HydrophobicContact CD1-CE1 3.92Å; L228-Y243 WeakPolarHBondContact CD1-OH 3.2Å; E229-Y243 PolarHBondContact N-OH 2.81Å; E229-Y243 PolarHBondContact O-OH 2.77Å; R232-Y243 HydrophobicContact CB-CE2 4Å; R232-Y243 HydrophobicContact CG-CD2 4.44Å; R232-Y243 HydrophobicContact CG-CE2 4.2Å; I233-Y243 HydrophobicContact CG1-CD2 4.34Å; I233-Y243 HydrophobicContact CG1-CE2 4.03Å; Y243-I245 PolarHBondContact O-N 2.96Å; Y243-I245 VanDerWaalsContact O-N 3.12Å; Y243-F246 HydrophobicContact CD2-CE2 4.5Å; Y243-F246 WeakPolarHBondContact O-CD2 3.35Å; Y243-F246 PolarHBondContact O-N 2.81Å; Y243-Y426 VanDerWaalsContact CB-OH 3.27Å; Y243-Y426 WeakPolarHBondContact CB-OH 3.41Å; Y243-Y426 AromaticContact CD2-CE1 3.94Å; Y243-Y426 HydrophobicContact CD2-CE1 3.94Å; Y243-Y426 AromaticContact CD2-CZ 3.99Å; Y243-Y426 HydrophobicContact CE2-CE1 4.19Å; Y243-Y426 HydrophobicContact CG-CE1 4.3Å |
| 244 | H | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -30.4 | -171.4 | -65.6 | -34.7 | 0 | 0 | 0 | 114 | A189 N192 A193 K194 N199 R241 F246 Y247 R248 | A189-H244 PolarHBondContact O-N 2.78Å; N192-H244 PolarHBondContact O-CD2 3.11Å; N192-H244 PolarHBondContact O-N 3.49Å; A193-H244 VanDerWaalsContact C-CE1 3.42Å; A193-H244 VanDerWaalsContact CA-CE1 3.48Å; A193-H244 WeakPolarHBondContact CA-CE1 3.39Å; K194-H244 PolarHBondContact N-CE1 3.28Å; N199-H244 PolarHBondContact O-CE1 2.99Å; N199-H244 VanDerWaalsContact O-CE1 3.25Å; N199-H244 PolarHBondContact O-NE2 2.73Å; R241-H244 PolarHBondContact NH2-ND1 3.4Å; H244-F246 VanDerWaalsContact C-N 3.26Å; H244-F246 PolarHBondContact O-N 3.05Å; H244-Y247 PolarHBondContact O-N 3.3Å; H244-R248 WeakPolarHBondContact O-CB 3.49Å; H244-R248 VanDerWaalsContact O-CG 3.26Å; H244-R248 WeakPolarHBondContact O-CG 3.45Å; H244-R248 PolarHBondContact O-N 2.68Å |
| 245 | I | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.5 | -40 | 178.5 | -177.2 | 61.8 | 0 | 0 | 0 | 113 | A189 F190 Y243 L249 M318 F336 V339 Y426 | A189-I245 HydrophobicContact CB-CB 4.34Å; A189-I245 HydrophobicContact CB-CD1 4.48Å; A189-I245 WeakPolarHBondContact O-CB 3.47Å; A189-I245 PolarHBondContact O-N 3.36Å; F190-I245 HydrophobicContact CD1-CB 4.44Å; F190-I245 HydrophobicContact CD1-CG1 4.27Å; F190-I245 HydrophobicContact CD1-CG2 4.17Å; F190-I245 HydrophobicContact CD2-CB 4.43Å; F190-I245 HydrophobicContact CD2-CD1 4.35Å; F190-I245 HydrophobicContact CD2-CG1 4.32Å; F190-I245 HydrophobicContact CE1-CD1 4.47Å; F190-I245 HydrophobicContact CE1-CG1 3.9Å; F190-I245 HydrophobicContact CE2-CD1 3.72Å; F190-I245 HydrophobicContact CE2-CG1 3.95Å; F190-I245 HydrophobicContact CG-CB 4.38Å; F190-I245 HydrophobicContact CG-CG1 4.47Å; F190-I245 HydrophobicContact CG-CG2 4.39Å; F190-I245 HydrophobicContact CZ-CD1 3.8Å; F190-I245 HydrophobicContact CZ-CG1 3.74Å; Y243-I245 PolarHBondContact O-N 2.96Å; Y243-I245 VanDerWaalsContact O-N 3.12Å; I245-L249 WeakPolarHBondContact O-CB 3.44Å; I245-L249 PolarHBondContact O-N 3.37Å; I245-M318 HydrophobicContact CD1-CE 3.84Å; I245-M318 HydrophobicContact CD1-SD 3.6Å; I245-M318 VanDerWaalsContact CD1-SD 3.6Å; I245-F336 HydrophobicContact CD1-CE1 4.31Å; I245-V339 HydrophobicContact CG1-CG1 4.21Å; I245-V339 HydrophobicContact CG1-CG2 4Å; I245-Y426 HydrophobicContact CG2-CE2 4.07Å; I245-Y426 WeakPolarHBondContact CG2-OH 3.41Å |
| 246 | F | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -46.6 | -179.4 | -61.9 | -68.9 | 0 | 0 | 0 | 111.5 | N242 Y243 H244 C250 L272 V339 V342 L343 Y426 | N242-F246 HydrophobicContact CB-CD2 4.09Å; N242-F246 WeakPolarHBondContact OD1-CE2 3.4Å; Y243-F246 HydrophobicContact CD2-CE2 4.5Å; Y243-F246 WeakPolarHBondContact O-CD2 3.35Å; Y243-F246 PolarHBondContact O-N 2.81Å; H244-F246 VanDerWaalsContact C-N 3.26Å; H244-F246 PolarHBondContact O-N 3.05Å; F246-C250 PolarHBondContact O-N 3.19Å; F246-C250 PolarHBondContact O-SG 3.5Å; F246-L272 HydrophobicContact CB-CD1 4.24Å; F246-L272 HydrophobicContact CB-CD2 3.64Å; F246-L272 HydrophobicContact CD2-CD2 4.28Å; F246-L272 HydrophobicContact CG-CD2 4.05Å; F246-V339 HydrophobicContact CD1-CG1 3.56Å; F246-V339 HydrophobicContact CE1-CG1 3.72Å; F246-V342 HydrophobicContact CE1-CG1 4.33Å; F246-V342 HydrophobicContact CZ-CG1 4.25Å; F246-L343 HydrophobicContact CD1-CD1 3.92Å; F246-L343 HydrophobicContact CD1-CD2 3.54Å; F246-L343 HydrophobicContact CD1-CG 3.65Å; F246-L343 HydrophobicContact CE1-CD2 3.88Å; F246-L343 HydrophobicContact CE1-CG 3.94Å; F246-L343 HydrophobicContact CG-CD2 4.19Å; F246-Y426 HydrophobicContact CE1-CD2 4.49Å; F246-Y426 HydrophobicContact CE1-CE2 4.31Å; F246-Y426 HydrophobicContact CE2-CD2 4.37Å; F246-Y426 AromaticContact CE2-CE2 3.81Å; F246-Y426 HydrophobicContact CE2-CE2 3.81Å; F246-Y426 AromaticContact CZ-CD2 3.7Å; F246-Y426 HydrophobicContact CZ-CD2 3.7Å; F246-Y426 AromaticContact CZ-CE2 3.5Å; F246-Y426 HydrophobicContact CZ-CE2 3.5Å |
| 247 | Y | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.8 | -42.9 | 179.6 | -59.1 | -93.2 | 0 | 0 | 0 | 111.7 | R241 N242 H244 L249 C250 A251 L272 C276 Y279 | R241-Y247 WeakPolarHBondContact CA-OH 3.28Å; R241-Y247 HydrophobicContact CB-CE2 3.7Å; R241-Y247 WeakPolarHBondContact CB-OH 3.39Å; R241-Y247 HydrophobicContact CG-CE1 4.36Å; R241-Y247 HydrophobicContact CG-CE2 4.39Å; N242-Y247 HydrophobicContact CB-CE2 3.89Å; N242-Y247 PolarHBondContact N-OH 3.11Å; N242-Y247 VanDerWaalsContact N-OH 3.14Å; H244-Y247 PolarHBondContact O-N 3.3Å; Y247-L249 VanDerWaalsContact C-N 3.31Å; Y247-L249 PolarHBondContact O-N 3.43Å; Y247-C250 PolarHBondContact O-N 3.09Å; Y247-A251 VanDerWaalsContact O-CB 3.31Å; Y247-A251 WeakPolarHBondContact O-CB 3.42Å; Y247-A251 PolarHBondContact O-N 3.48Å; Y247-L272 HydrophobicContact CE2-CD2 3.95Å; Y247-C276 WeakPolarHBondContact CE1-O 3.43Å; Y247-C276 PolarHBondContact OH-O 2.86Å; Y247-C276 VanDerWaalsContact OH-O 3.12Å; Y247-Y279 WeakPolarHBondContact O-CE1 3.41Å |
| 248 | R | 94.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 175.3 | -70.6 | 173.4 | 175 | 179.9 | -4.4 | 111.2 | A189 H244 G252 D311 D314 F315 | A189-R248 VanDerWaalsContact CA-NH1 3.35Å; H244-R248 WeakPolarHBondContact O-CB 3.49Å; H244-R248 VanDerWaalsContact O-CG 3.26Å; H244-R248 WeakPolarHBondContact O-CG 3.45Å; H244-R248 PolarHBondContact O-N 2.68Å; R248-G252 PolarHBondContact O-N 2.93Å; R248-D311 WeakPolarHBondContact CA-O 3.16Å; R248-D311 HydrophobicContact CG-CB 4.16Å; R248-D311 WeakPolarHBondContact CG-O 3.42Å; R248-D314 HydrophobicContact CG-CB 4.21Å; R248-D314 VanDerWaalsContact CZ-CB 3.47Å; R248-D314 IonicContact CZ-OD2 3.14Å; R248-D314 IonicContact NE-OD2 2.74Å; R248-D314 IonicContact NH2-OD1 2.86Å; R248-D314 IonicContact NH2-OD2 3.33Å; R248-D314 PolarHBondContact NH2-OD2 3.12Å; R248-F315 HydrophobicContact CB-CB 4.2Å; R248-F315 HydrophobicContact CB-CD2 4.34Å; R248-F315 WeakPolarHBondContact O-CB 3.17Å; R248-F315 VanDerWaalsContact O-CD2 3.29Å; R248-F315 WeakPolarHBondContact O-CD2 3.27Å; R248-F315 WeakPolarHBondContact O-CG 3.41Å |
| 249 | L | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -47.3 | 176.9 | -174.9 | 64.5 | 0 | 0 | 0 | 112.1 | I245 Y247 A251 A253 L257 L261 L263 F315 F336 V339 | I245-L249 WeakPolarHBondContact O-CB 3.44Å; I245-L249 PolarHBondContact O-N 3.37Å; Y247-L249 VanDerWaalsContact C-N 3.31Å; Y247-L249 PolarHBondContact O-N 3.43Å; L249-A251 PolarHBondContact O-N 3.39Å; L249-A253 HydrophobicContact CD1-CB 4.36Å; L249-A253 WeakPolarHBondContact O-CB 3.35Å; L249-A253 PolarHBondContact O-N 3.28Å; L249-A253 VanDerWaalsContact O-N 3.14Å; L249-L257 HydrophobicContact CD1-CD2 4.39Å; L249-L261 HydrophobicContact CD1-CD1 4.28Å; L249-L261 HydrophobicContact CD2-CD1 4.37Å; L249-L263 HydrophobicContact CD1-CD1 4.26Å; L249-L263 HydrophobicContact CD2-CD1 3.97Å; L249-L263 HydrophobicContact CD2-CD2 4.42Å; L249-L263 HydrophobicContact CG-CD1 3.71Å; L249-F315 HydrophobicContact CB-CE2 4.47Å; L249-F315 HydrophobicContact CD1-CE2 3.72Å; L249-F315 HydrophobicContact CD1-CZ 4.17Å; L249-F336 HydrophobicContact CD1-CB 4.18Å; L249-F336 HydrophobicContact CD1-CD1 4.02Å; L249-F336 HydrophobicContact CD1-CD2 4.19Å; L249-F336 HydrophobicContact CD1-CE1 4.44Å; L249-F336 HydrophobicContact CD1-CG 3.89Å; L249-F336 HydrophobicContact CD2-CB 4.44Å; L249-V339 HydrophobicContact CD2-CB 4.23Å; L249-V339 HydrophobicContact CD2-CG1 3.74Å |
| 250 | C | 92.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 176.2 | -72.9 | 0 | 0 | 0 | 0 | 113 | F246 Y247 P266 Y279 | F246-C250 PolarHBondContact O-N 3.19Å; F246-C250 PolarHBondContact O-SG 3.5Å; Y247-C250 PolarHBondContact O-N 3.09Å; C250-P266 HydrophobicContact CB-CG 4.47Å; C250-Y279 HydrophobicContact CB-CE1 4.29Å; C250-Y279 WeakPolarHBondContact CB-OH 3.38Å |
| 251 | A | 91.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.6 | -53.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y247 L249 Y279 I289 R293 D311 Q312 | Y247-A251 VanDerWaalsContact O-CB 3.31Å; Y247-A251 WeakPolarHBondContact O-CB 3.42Å; Y247-A251 PolarHBondContact O-N 3.48Å; L249-A251 PolarHBondContact O-N 3.39Å; A251-Y279 HydrophobicContact CB-CD1 3.87Å; A251-Y279 HydrophobicContact CB-CE1 3.8Å; A251-Y279 HydrophobicContact CB-CG 4.34Å; A251-I289 HydrophobicContact CB-CD1 4.38Å; A251-R293 PolarHBondContact O-NH1 2.92Å; A251-D311 HydrophobicContact CB-CB 4.33Å; A251-Q312 HydrophobicContact CB-CB 4.49Å |
| 252 | G | 90.2 | Very high | 92.6 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 14% | 0.144 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -98.3 | -11 | -162 | 0 | 0 | 0 | 0 | 0 | 117.7 | R248 F315 | R248-G252 PolarHBondContact O-N 2.93Å; G252-F315 VanDerWaalsContact C-CE1 3.5Å; G252-F315 VanDerWaalsContact O-CD1 3.24Å; G252-F315 WeakPolarHBondContact O-CD1 3.42Å; G252-F315 VanDerWaalsContact O-CE1 3.27Å; G252-F315 WeakPolarHBondContact O-CE1 3.41Å |
| 253 | A | 90.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -56 | 148.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L249 L257 R293 | L249-A253 HydrophobicContact CD1-CB 4.36Å; L249-A253 WeakPolarHBondContact O-CB 3.35Å; L249-A253 PolarHBondContact O-N 3.28Å; L249-A253 VanDerWaalsContact O-N 3.14Å; A253-L257 HydrophobicContact CB-CB 4.2Å; A253-L257 HydrophobicContact CB-CD2 3.86Å; A253-L257 HydrophobicContact CB-CG 4.14Å; A253-R293 PolarHBondContact O-NH1 3.03Å; A253-R293 PolarHBondContact O-NH2 3.37Å |
| 254 | S | 90.1 | Very high | 92.2 | Very high | 69 Ų | 69 | 32.2 Ų | 32.2 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | trans | -65.4 | 159.5 | 166 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | D256 L257 K258 | S254-D256 PolarHBondContact O-N 3.05Å; S254-L257 PolarHBondContact O-N 3.19Å; S254-L257 VanDerWaalsContact OG-CB 3.32Å; S254-L257 WeakPolarHBondContact OG-CB 3.24Å; S254-L257 PolarHBondContact OG-N 2.86Å; S254-K258 PolarHBondContact O-N 3.05Å | ||
| 255 | D | 87.7 | Confident | 92 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 39% | 0.385 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.1 | -25.6 | 178.5 | -77.4 | -32.5 | 0 | 0 | 0 | 112.9 | K258 K259 L290 R293 | D255-K258 PolarHBondContact O-N 3.39Å; D255-K259 WeakPolarHBondContact O-CE 3.21Å; D255-K259 VanDerWaalsContact O-CG 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.18Å; D255-K259 PolarHBondContact O-N 3.48Å; D255-L290 WeakPolarHBondContact OD1-CD1 3.31Å; D255-L290 WeakPolarHBondContact OD2-CD1 3.39Å; D255-R293 IonicContact OD1-CZ 2.77Å; D255-R293 IonicContact OD1-NE 3.37Å; D255-R293 IonicContact OD1-NH2 2.86Å; D255-R293 PolarHBondContact OD1-NH2 2.69Å |
| 256 | D | 89.7 | Confident | 91.8 | Very high | 101 Ų | 101 | 32.9 Ų | 32.9 | 54% | 0.54 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72.1 | -42.2 | 171.9 | -55.5 | -47 | 0 | 0 | 0 | 111.3 | S254 K258 K259 T260 | S254-D256 PolarHBondContact O-N 3.05Å; D256-K258 VanDerWaalsContact C-N 3.3Å; D256-K258 PolarHBondContact O-N 3.12Å; D256-K259 WeakPolarHBondContact O-CB 3.47Å; D256-K259 PolarHBondContact O-N 2.91Å; D256-K259 VanDerWaalsContact O-N 3.16Å; D256-K259 IonicContact OD1-NZ 2.69Å; D256-K259 PolarHBondContact OD1-NZ 2.83Å; D256-T260 PolarHBondContact O-N 2.92Å; D256-T260 PolarHBondContact O-OG1 2.71Å; D256-T260 VanDerWaalsContact O-OG1 3.12Å |
| 257 | L | 90.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 14% | 0.141 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 171.9 | -172.7 | 65.5 | 0 | 0 | 0 | 111.6 | L249 A253 S254 L261 F315 L333 F336 | L249-L257 HydrophobicContact CD1-CD2 4.39Å; A253-L257 HydrophobicContact CB-CB 4.2Å; A253-L257 HydrophobicContact CB-CD2 3.86Å; A253-L257 HydrophobicContact CB-CG 4.14Å; S254-L257 PolarHBondContact O-N 3.19Å; S254-L257 VanDerWaalsContact OG-CB 3.32Å; S254-L257 WeakPolarHBondContact OG-CB 3.24Å; S254-L257 PolarHBondContact OG-N 2.86Å; L257-L261 HydrophobicContact CD1-CD1 3.67Å; L257-L261 HydrophobicContact CD1-CG 3.96Å; L257-L261 HydrophobicContact CG-CD1 3.83Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 WeakPolarHBondContact O-CB 3.39Å; L257-L261 WeakPolarHBondContact O-CG 3.32Å; L257-L261 PolarHBondContact O-N 3.35Å; L257-F315 HydrophobicContact CD2-CZ 4.3Å; L257-L333 HydrophobicContact CD1-CD1 3.59Å; L257-F336 HydrophobicContact CD2-CD2 3.91Å; L257-F336 HydrophobicContact CD2-CE2 4.17Å |
| 258 | K | 89.9 | Confident | 91.4 | Very high | 35 Ų | 35 | 39 Ų | 39 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 172 | -170.3 | -174.4 | 177.2 | -174.9 | 0 | 110.8 | S254 D255 D256 H262 L263 D264 S292 | S254-K258 PolarHBondContact O-N 3.05Å; D255-K258 PolarHBondContact O-N 3.39Å; D256-K258 VanDerWaalsContact C-N 3.3Å; D256-K258 PolarHBondContact O-N 3.12Å; K258-H262 WeakPolarHBondContact O-CA 3.31Å; K258-H262 PolarHBondContact O-N 3.03Å; K258-H262 VanDerWaalsContact O-N 3.12Å; K258-L263 WeakPolarHBondContact CE-O 3.46Å; K258-L263 HydrophobicContact CG-CB 4.02Å; K258-L263 VanDerWaalsContact CG-O 3.31Å; K258-L263 WeakPolarHBondContact CG-O 3.4Å; K258-L263 PolarHBondContact O-N 3.49Å; K258-D264 IonicContact NZ-OD1 3.99Å; K258-D264 PolarHBondContact NZ-OD1 3.17Å; K258-S292 PolarHBondContact NZ-O 3.09Å |
| 259 | K | 91.1 | Very high | 91.4 | Very high | 131 Ų | 131 | 39 Ų | 39 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63.8 | -51.1 | 177.2 | -66 | 161.1 | -154.6 | 160.8 | 0 | 111.8 | D255 D256 L261 H262 | D255-K259 WeakPolarHBondContact O-CE 3.21Å; D255-K259 VanDerWaalsContact O-CG 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.18Å; D255-K259 PolarHBondContact O-N 3.48Å; D256-K259 WeakPolarHBondContact O-CB 3.47Å; D256-K259 PolarHBondContact O-N 2.91Å; D256-K259 VanDerWaalsContact O-N 3.16Å; D256-K259 IonicContact OD1-NZ 2.69Å; D256-K259 PolarHBondContact OD1-NZ 2.83Å; K259-L261 VanDerWaalsContact C-N 3.29Å; K259-L261 PolarHBondContact O-N 2.59Å; K259-H262 PolarHBondContact O-N 2.97Å; K259-H262 VanDerWaalsContact O-N 3.14Å; K259-H262 PolarHBondContact O-ND1 3.33Å |
| 260 | T | 92.4 | Very high | 91.3 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 52% | 0.515 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.7 | -32 | -177.7 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | D256 | D256-T260 PolarHBondContact O-N 2.92Å; D256-T260 PolarHBondContact O-OG1 2.71Å; D256-T260 VanDerWaalsContact O-OG1 3.12Å |
| 261 | L | 93.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.8 | 178.3 | -61.6 | -177.8 | 0 | 0 | 0 | 113.6 | L249 L257 K259 L263 L333 F336 R337 A340 H344 L376 | L249-L261 HydrophobicContact CD1-CD1 4.28Å; L249-L261 HydrophobicContact CD2-CD1 4.37Å; L257-L261 HydrophobicContact CD1-CD1 3.67Å; L257-L261 HydrophobicContact CD1-CG 3.96Å; L257-L261 HydrophobicContact CG-CD1 3.83Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 WeakPolarHBondContact O-CB 3.39Å; L257-L261 WeakPolarHBondContact O-CG 3.32Å; L257-L261 PolarHBondContact O-N 3.35Å; K259-L261 VanDerWaalsContact C-N 3.29Å; K259-L261 PolarHBondContact O-N 2.59Å; L261-L263 HydrophobicContact CB-CD1 3.73Å; L261-L263 HydrophobicContact CB-CG 3.68Å; L261-L263 HydrophobicContact CD1-CD1 3.83Å; L261-L263 HydrophobicContact CG-CD1 4.42Å; L261-L263 PolarHBondContact O-N 2.92Å; L261-L263 VanDerWaalsContact O-N 3.12Å; L261-L333 HydrophobicContact CD2-CD1 4.49Å; L261-F336 HydrophobicContact CD1-CB 3.73Å; L261-R337 HydrophobicContact CD2-CB 4.18Å; L261-A340 HydrophobicContact CB-CB 3.9Å; L261-A340 HydrophobicContact CD1-CB 4.49Å; L261-A340 HydrophobicContact CD2-CB 4.25Å; L261-A340 HydrophobicContact CG-CB 4.45Å; L261-H344 PolarHBondContact O-NE2 3.39Å; L261-L376 HydrophobicContact CD2-CD2 4.09Å |
| 262 | H | 93.5 | Very high | 91.4 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 38.2 | -173.6 | -50.1 | -47.2 | 0 | 0 | 0 | 113 | K258 K259 H344 F372 | K258-H262 WeakPolarHBondContact O-CA 3.31Å; K258-H262 PolarHBondContact O-N 3.03Å; K258-H262 VanDerWaalsContact O-N 3.12Å; K259-H262 PolarHBondContact O-N 2.97Å; K259-H262 VanDerWaalsContact O-N 3.14Å; K259-H262 PolarHBondContact O-ND1 3.33Å; H262-H344 PolarHBondContact O-CE1 3.01Å; H262-H344 PolarHBondContact O-NE2 3.22Å; H262-F372 HydrophobicContact CB-CD1 4.29Å; H262-F372 HydrophobicContact CB-CD2 4.06Å; H262-F372 HydrophobicContact CB-CE1 4.38Å; H262-F372 HydrophobicContact CB-CE2 4.18Å; H262-F372 HydrophobicContact CB-CG 4.11Å; H262-F372 HydrophobicContact CB-CZ 4.33Å; H262-F372 AromaticContact CD2-CD1 3.11Å; H262-F372 WeakPolarHBondContact CD2-CD1 3.34Å; H262-F372 AromaticContact CD2-CE1 3.58Å; H262-F372 AromaticContact CD2-CG 3.53Å; H262-F372 AromaticContact CE1-CE1 3.94Å; H262-F372 AromaticContact CG-CD1 3.66Å; H262-F372 AromaticContact CG-CE1 3.72Å; H262-F372 AromaticContact CG-CG 3.96Å; H262-F372 AromaticContact ND1-CE1 3.95Å; H262-F372 AromaticContact NE2-CD1 3.46Å; H262-F372 WeakPolarHBondContact NE2-CD1 3.34Å; H262-F372 AromaticContact NE2-CE1 3.71Å |
| 263 | L | 91.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | trans | -77.5 | 152.3 | -176.7 | -72.6 | 167 | 0 | 0 | 0 | 110.9 | L249 K258 L261 F269 A340 L343 | L249-L263 HydrophobicContact CD1-CD1 4.26Å; L249-L263 HydrophobicContact CD2-CD1 3.97Å; L249-L263 HydrophobicContact CD2-CD2 4.42Å; L249-L263 HydrophobicContact CG-CD1 3.71Å; K258-L263 WeakPolarHBondContact CE-O 3.46Å; K258-L263 HydrophobicContact CG-CB 4.02Å; K258-L263 VanDerWaalsContact CG-O 3.31Å; K258-L263 WeakPolarHBondContact CG-O 3.4Å; K258-L263 PolarHBondContact O-N 3.49Å; L261-L263 HydrophobicContact CB-CD1 3.73Å; L261-L263 HydrophobicContact CB-CG 3.68Å; L261-L263 HydrophobicContact CD1-CD1 3.83Å; L261-L263 HydrophobicContact CG-CD1 4.42Å; L261-L263 PolarHBondContact O-N 2.92Å; L261-L263 VanDerWaalsContact O-N 3.12Å; L263-F269 HydrophobicContact CD2-CZ 4.45Å; L263-A340 HydrophobicContact CD2-CB 4.12Å; L263-L343 HydrophobicContact CD2-CD1 4.09Å | ||
| 264 | D | 89.9 | Confident | 91.1 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | trans | -144.8 | -170.3 | 177.5 | -155.3 | 9.2 | 0 | 0 | 0 | 112.2 | K258 N268 F269 | K258-D264 IonicContact NZ-OD1 3.99Å; K258-D264 PolarHBondContact NZ-OD1 3.17Å; D264-N268 PolarHBondContact OD2-ND2 3.3Å; D264-F269 HydrophobicContact CB-CE2 4.35Å; D264-F269 HydrophobicContact CB-CZ 4.5Å | ||
| 265 | S | 91.6 | Very high | 91 | Very high | 14 Ų | 14 | 46 Ų | 46 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | trans | -61 | 150.9 | 175.2 | 78.7 | 0 | 0 | 0 | 0 | 111.9 | D267 N268 | S265-D267 PolarHBondContact O-N 2.86Å; S265-N268 PolarHBondContact O-N 2.85Å; S265-N268 VanDerWaalsContact O-N 3.11Å | ||
| 266 | P | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -66.9 | -23.1 | -173.5 | -20.5 | 32.8 | 0 | 0 | 0 | 114.2 | C250 N268 F269 L272 T277 Y279 | C250-P266 HydrophobicContact CB-CG 4.47Å; P266-N268 PolarHBondContact O-N 3.43Å; P266-F269 PolarHBondContact O-N 2.93Å; P266-L272 HydrophobicContact CB-CB 4.09Å; P266-L272 HydrophobicContact CB-CD1 3.9Å; P266-T277 HydrophobicContact CB-CG2 4.21Å; P266-Y279 WeakPolarHBondContact CD-OH 3.32Å; P266-Y279 HydrophobicContact CG-CE1 4.12Å; P266-Y279 VanDerWaalsContact CG-OH 3.31Å; P266-Y279 WeakPolarHBondContact CG-OH 3.14Å |
| 267 | D | 91.4 | Very high | 91.2 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 23% | 0.225 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -61.3 | -28.9 | 175.1 | -66.1 | -16.2 | 0 | 0 | 0 | 112 | S265 F269 N273 T277 S295 A296 | S265-D267 PolarHBondContact O-N 2.86Å; D267-F269 PolarHBondContact O-N 3.38Å; D267-N273 WeakPolarHBondContact O-CB 3.46Å; D267-N273 PolarHBondContact O-ND2 3.01Å; D267-T277 VanDerWaalsContact OD1-CB 3.25Å; D267-T277 WeakPolarHBondContact OD1-CB 3.45Å; D267-T277 VanDerWaalsContact OD1-CG2 3.25Å; D267-T277 WeakPolarHBondContact OD1-CG2 3.39Å; D267-T277 PolarHBondContact OD1-OG1 3.28Å; D267-S295 WeakPolarHBondContact OD1-CB 3.19Å; D267-S295 VanDerWaalsContact OD2-CA 3.24Å; D267-S295 WeakPolarHBondContact OD2-CA 3.22Å; D267-S295 WeakPolarHBondContact OD2-CB 3.28Å; D267-A296 PolarHBondContact OD2-N 2.89Å |
| 268 | N | 91.4 | Very high | 91.3 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -82.2 | 3.1 | -178.4 | -67 | -11.1 | 0 | 0 | 0 | 113 | D264 S265 P266 N347 | D264-N268 PolarHBondContact OD2-ND2 3.3Å; S265-N268 PolarHBondContact O-N 2.85Å; S265-N268 VanDerWaalsContact O-N 3.11Å; P266-N268 PolarHBondContact O-N 3.43Å; N268-N347 PolarHBondContact O-ND2 2.92Å |
| 269 | F | 93.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | trans | -118.5 | 120.4 | 175.8 | -64.6 | -68.4 | 0 | 0 | 0 | 112.3 | L263 D264 P266 D267 Y271 L272 N273 L343 H344 N347 | L263-F269 HydrophobicContact CD2-CZ 4.45Å; D264-F269 HydrophobicContact CB-CE2 4.35Å; D264-F269 HydrophobicContact CB-CZ 4.5Å; P266-F269 PolarHBondContact O-N 2.93Å; D267-F269 PolarHBondContact O-N 3.38Å; F269-Y271 PolarHBondContact O-N 3.35Å; F269-L272 HydrophobicContact CB-CB 4.43Å; F269-L272 HydrophobicContact CB-CD1 4.15Å; F269-L272 HydrophobicContact CB-CG 4.22Å; F269-L272 HydrophobicContact CD2-CD1 4.24Å; F269-L272 PolarHBondContact O-N 2.88Å; F269-N273 PolarHBondContact O-N 2.82Å; F269-L343 HydrophobicContact CB-CD2 4.26Å; F269-L343 HydrophobicContact CD1-CB 3.68Å; F269-L343 HydrophobicContact CD2-CD1 4.28Å; F269-L343 HydrophobicContact CE1-CB 3.87Å; F269-L343 HydrophobicContact CE2-CD1 4.31Å; F269-L343 HydrophobicContact CG-CB 4.13Å; F269-L343 HydrophobicContact CG-CD1 4.43Å; F269-L343 HydrophobicContact CG-CD2 4.38Å; F269-L343 HydrophobicContact CZ-CB 4.48Å; F269-H344 AromaticContact CE1-CE1 3.86Å; F269-N347 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 270 | R | 92.4 | Very high | 91.6 | Very high | 65 Ų | 65 | 31.3 Ų | 31.3 | 25% | 0.245 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.9 | -178.7 | -159.4 | -177.9 | -147.6 | 163 | 22.7 | 114.3 | N273 R274 G346 N347 D349 | R270-N273 WeakPolarHBondContact CA-OD1 3.15Å; R270-N273 PolarHBondContact O-OD1 2.64Å; R270-R274 WeakPolarHBondContact O-CD 3.28Å; R270-R274 WeakPolarHBondContact O-CG 3.48Å; R270-G346 VanDerWaalsContact CB-O 3.32Å; R270-G346 WeakPolarHBondContact CB-O 3.47Å; R270-G346 VanDerWaalsContact CD-O 3.24Å; R270-G346 WeakPolarHBondContact CD-O 3.39Å; R270-N347 PolarHBondContact N-OD1 2.86Å; R270-D349 IonicContact CZ-OD1 2.7Å; R270-D349 IonicContact NH1-OD1 3.6Å; R270-D349 PolarHBondContact NH1-OD1 3.45Å; R270-D349 IonicContact NH2-OD1 3.73Å; R270-D349 PolarHBondContact NH2-OD1 3.02Å; R270-D349 IonicContact NH2-OD2 3.63Å |
| 271 | Y | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.4 | 179 | -69.7 | -15.8 | 0 | 0 | 0 | 113.8 | I233 C234 Q236 N242 F269 V342 D419 A422 | I233-Y271 WeakPolarHBondContact O-CB 3.45Å; C234-Y271 HydrophobicContact CB-CD1 4.19Å; C234-Y271 HydrophobicContact CB-CE1 3.82Å; Q236-Y271 PolarHBondContact NE2-O 2.92Å; Q236-Y271 PolarHBondContact OE1-O 3.24Å; N242-Y271 PolarHBondContact ND2-O 3.32Å; F269-Y271 PolarHBondContact O-N 3.35Å; Y271-V342 HydrophobicContact CD2-CG1 4.36Å; Y271-V342 VanDerWaalsContact CD2-O 3.28Å; Y271-V342 WeakPolarHBondContact CD2-O 3.44Å; Y271-V342 HydrophobicContact CE2-CG1 4.41Å; Y271-V342 VanDerWaalsContact CE2-O 3.22Å; Y271-V342 WeakPolarHBondContact CE2-O 3.27Å; Y271-D419 PolarHBondContact OH-OD1 3.24Å; Y271-A422 HydrophobicContact CE2-CB 3.62Å; Y271-A422 WeakPolarHBondContact OH-CB 3.14Å |
| 272 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -35.1 | 175.9 | -55.8 | 177.1 | 0 | 0 | 0 | 111.9 | N242 F246 Y247 P266 F269 R274 G275 L343 | N242-L272 HydrophobicContact CB-CD2 3.7Å; F246-L272 HydrophobicContact CB-CD1 4.24Å; F246-L272 HydrophobicContact CB-CD2 3.64Å; F246-L272 HydrophobicContact CD2-CD2 4.28Å; F246-L272 HydrophobicContact CG-CD2 4.05Å; Y247-L272 HydrophobicContact CE2-CD2 3.95Å; P266-L272 HydrophobicContact CB-CB 4.09Å; P266-L272 HydrophobicContact CB-CD1 3.9Å; F269-L272 HydrophobicContact CB-CB 4.43Å; F269-L272 HydrophobicContact CB-CD1 4.15Å; F269-L272 HydrophobicContact CB-CG 4.22Å; F269-L272 HydrophobicContact CD2-CD1 4.24Å; F269-L272 PolarHBondContact O-N 2.88Å; L272-R274 PolarHBondContact O-N 2.89Å; L272-G275 PolarHBondContact O-N 3.42Å; L272-L343 HydrophobicContact CD1-CD1 4.36Å; L272-L343 HydrophobicContact CD1-CD2 3.83Å; L272-L343 HydrophobicContact CD2-CD2 4.2Å; L272-L343 HydrophobicContact CG-CD2 3.84Å |
| 273 | N | 90 | Very high | 90.8 | Very high | 75 Ų | 75 | 34.9 Ų | 34.9 | 40% | 0.401 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 4.5 | -176.4 | 75.5 | 8.5 | 0 | 0 | 0 | 115.9 | D267 F269 R270 T277 | D267-N273 WeakPolarHBondContact O-CB 3.46Å; D267-N273 PolarHBondContact O-ND2 3.01Å; F269-N273 PolarHBondContact O-N 2.82Å; R270-N273 WeakPolarHBondContact CA-OD1 3.15Å; R270-N273 PolarHBondContact O-OD1 2.64Å; N273-T277 HydrophobicContact CB-CG2 4.34Å |
| 274 | R | 84.1 | Confident | 90.5 | Very high | 83 Ų | 83 | 38.6 Ų | 38.6 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -16.8 | 173.9 | -73 | 173.2 | 161.6 | 171.1 | -10.9 | 113.2 | C234 M235 R270 L272 | C234-R274 PolarHBondContact O-NH1 3.23Å; M235-R274 PolarHBondContact SD-NH1 2.97Å; R270-R274 WeakPolarHBondContact O-CD 3.28Å; R270-R274 WeakPolarHBondContact O-CG 3.48Å; L272-R274 PolarHBondContact O-N 2.89Å |
| 275 | G | 86.6 | Confident | 90.3 | Very high | 17 Ų | 17 | 36 Ų | 36 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -118.7 | -147 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E240 L272 | E240-G275 WeakPolarHBondContact O-CA 3.28Å; L272-G275 PolarHBondContact O-N 3.42Å |
| 276 | C | 89.7 | Confident | 90.1 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | trans | -80.2 | 130.5 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | E240 R241 Y247 E297 | E240-C276 PolarHBondContact O-N 3.44Å; R241-C276 HydrophobicContact CG-CB 4.25Å; Y247-C276 WeakPolarHBondContact CE1-O 3.43Å; Y247-C276 PolarHBondContact OH-O 2.86Å; Y247-C276 VanDerWaalsContact OH-O 3.12Å; C276-E297 WeakPolarHBondContact CA-OE2 3.29Å; C276-E297 PolarHBondContact SG-OE1 2.84Å; C276-E297 PolarHBondContact SG-OE2 3.06Å; C276-E297 VanDerWaalsContact SG-OE2 3.37Å | ||
| 277 | T | 91.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -97.6 | 2.6 | 179.1 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | P266 D267 N273 S295 E297 | P266-T277 HydrophobicContact CB-CG2 4.21Å; D267-T277 VanDerWaalsContact OD1-CB 3.25Å; D267-T277 WeakPolarHBondContact OD1-CB 3.45Å; D267-T277 VanDerWaalsContact OD1-CG2 3.25Å; D267-T277 WeakPolarHBondContact OD1-CG2 3.39Å; D267-T277 PolarHBondContact OD1-OG1 3.28Å; N273-T277 HydrophobicContact CB-CG2 4.34Å; T277-S295 PolarHBondContact O-OG 2.76Å; T277-S295 WeakPolarHBondContact OG1-CB 3.46Å; T277-S295 PolarHBondContact OG1-OG 2.79Å; T277-E297 PolarHBondContact N-OE2 3.05Å; T277-E297 PolarHBondContact OG1-OE2 2.99Å | ||
| 278 | R | 93.1 | Very high | 89.7 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 138.7 | -178.1 | -60.8 | 163.3 | 65.7 | -166.3 | 5 | 112.8 | R241 E297 H298 L301 G302 L304 | R241-R278 PolarHBondContact NH1-O 2.93Å; R278-E297 VanDerWaalsContact CD-CD 3.42Å; R278-E297 WeakPolarHBondContact CD-OE1 3.34Å; R278-E297 HydrophobicContact CG-CB 4.31Å; R278-E297 HydrophobicContact CG-CG 4.05Å; R278-H298 WeakPolarHBondContact CA-CE1 3.42Å; R278-H298 HydrophobicContact CB-CB 4.39Å; R278-H298 WeakPolarHBondContact CB-CE1 3.36Å; R278-H298 HydrophobicContact CG-CB 3.96Å; R278-L301 PolarHBondContact NH2-O 3.21Å; R278-G302 PolarHBondContact NE-O 3.01Å; R278-G302 PolarHBondContact NH2-O 2.91Å; R278-L304 HydrophobicContact CB-CD1 4.12Å; R278-L304 HydrophobicContact CB-CG 3.86Å |
| 279 | Y | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 147.6 | 167.7 | -52.8 | -64.9 | 0 | 0 | 0 | 112.6 | Y247 C250 A251 P266 I289 R293 H298 A303 L304 D311 | Y247-Y279 WeakPolarHBondContact O-CE1 3.41Å; C250-Y279 HydrophobicContact CB-CE1 4.29Å; C250-Y279 WeakPolarHBondContact CB-OH 3.38Å; A251-Y279 HydrophobicContact CB-CD1 3.87Å; A251-Y279 HydrophobicContact CB-CE1 3.8Å; A251-Y279 HydrophobicContact CB-CG 4.34Å; P266-Y279 WeakPolarHBondContact CD-OH 3.32Å; P266-Y279 HydrophobicContact CG-CE1 4.12Å; P266-Y279 VanDerWaalsContact CG-OH 3.31Å; P266-Y279 WeakPolarHBondContact CG-OH 3.14Å; Y279-I289 HydrophobicContact CD2-CD1 3.98Å; Y279-I289 HydrophobicContact CD2-CG2 4.24Å; Y279-I289 HydrophobicContact CE2-CG2 4.11Å; Y279-I289 HydrophobicContact CG-CD1 4.19Å; Y279-R293 WeakPolarHBondContact CE2-O 3.33Å; Y279-R293 PolarHBondContact OH-O 2.8Å; Y279-H298 AromaticContact CD2-ND1 3.99Å; Y279-H298 PolarHBondContact N-CE1 2.7Å; Y279-H298 PolarHBondContact N-ND1 3.23Å; Y279-H298 PolarHBondContact O-CE1 2.78Å; Y279-H298 PolarHBondContact O-NE2 3.4Å; Y279-A303 WeakPolarHBondContact O-CA 3.21Å; Y279-L304 PolarHBondContact O-N 2.79Å; Y279-D311 VanDerWaalsContact CA-OD2 3.23Å; Y279-D311 WeakPolarHBondContact CA-OD2 3.3Å; Y279-D311 HydrophobicContact CD1-CB 4.29Å |
| 280 | F | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 131.5 | 156.3 | -67.6 | -77.6 | 0 | 0 | 0 | 109 | K194 N199 R241 L304 D306 L309 D311 | K194-F280 HydrophobicContact CB-CE2 4.38Å; K194-F280 HydrophobicContact CB-CZ 4.41Å; K194-F280 HydrophobicContact CD-CZ 3.99Å; K194-F280 HydrophobicContact CG-CZ 4.43Å; N199-F280 HydrophobicContact CB-CE1 3.98Å; N199-F280 HydrophobicContact CB-CE2 4.41Å; N199-F280 HydrophobicContact CB-CZ 3.57Å; R241-F280 VanDerWaalsContact NH2-CD2 3.33Å; F280-L304 WeakPolarHBondContact CA-O 3.47Å; F280-L304 HydrophobicContact CD1-CB 3.39Å; F280-L304 HydrophobicContact CD1-CD1 4.26Å; F280-L304 HydrophobicContact CD1-CG 4.47Å; F280-L304 HydrophobicContact CD2-CD1 4.48Å; F280-L304 HydrophobicContact CE1-CB 3.64Å; F280-L304 HydrophobicContact CE1-CD1 3.97Å; F280-L304 HydrophobicContact CE1-CG 4.4Å; F280-L304 HydrophobicContact CE2-CD1 4.22Å; F280-L304 HydrophobicContact CG-CB 4.03Å; F280-L304 HydrophobicContact CG-CD1 4.49Å; F280-L304 HydrophobicContact CZ-CB 4.45Å; F280-L304 HydrophobicContact CZ-CD1 3.94Å; F280-D306 HydrophobicContact CD1-CB 3.72Å; F280-D306 HydrophobicContact CE1-CB 3.98Å; F280-L309 HydrophobicContact CB-CB 3.98Å; F280-L309 HydrophobicContact CD1-CB 4.35Å; F280-L309 HydrophobicContact CD1-CD1 4.43Å; F280-L309 HydrophobicContact CD2-CB 4.12Å; F280-L309 HydrophobicContact CD2-CD1 3.78Å; F280-L309 HydrophobicContact CE1-CD1 4.3Å; F280-L309 HydrophobicContact CE2-CD1 3.63Å; F280-L309 HydrophobicContact CG-CB 3.92Å; F280-L309 HydrophobicContact CG-CD1 4.2Å; F280-L309 HydrophobicContact CZ-CD1 3.92Å; F280-D311 PolarHBondContact N-OD2 3.26Å; F280-D311 PolarHBondContact O-N 3.14Å |
| 281 | A | 90.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | trans | -156 | 156.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D286 I289 A303 L304 R305 | A281-D286 HydrophobicContact CB-CB 3.94Å; A281-I289 HydrophobicContact CB-CD1 4.38Å; A281-A303 HydrophobicContact CB-CB 3.86Å; A281-L304 PolarHBondContact N-O 2.9Å; A281-L304 VanDerWaalsContact N-O 3.15Å; A281-R305 PolarHBondContact O-NH1 3.32Å | ||
| 282 | S | 87.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -73.7 | -178.8 | 164.6 | 73.7 | 0 | 0 | 0 | 0 | 111.7 | D284 S285 D286 R305 D310 | S282-D284 PolarHBondContact O-N 3.38Å; S282-D284 PolarHBondContact OG-N 2.89Å; S282-S285 PolarHBondContact N-OG 3.45Å; S282-S285 PolarHBondContact OG-N 3.17Å; S282-S285 PolarHBondContact OG-OG 2.98Å; S282-D286 VanDerWaalsContact O-CB 3.28Å; S282-D286 WeakPolarHBondContact O-CB 3.49Å; S282-D286 PolarHBondContact O-N 3.05Å; S282-R305 PolarHBondContact O-NH1 2.99Å; S282-D310 PolarHBondContact N-OD2 3.48Å | ||
| 283 | K | 85.1 | Confident | 87.8 | Confident | 160 Ų | 160 | 54.6 Ų | 54.6 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -14 | 172.4 | -75.3 | -173.7 | 179.1 | 178.9 | 0 | 113 | K287 | K283-K287 WeakPolarHBondContact O-CE 3.32Š|
| 284 | D | 85.6 | Confident | 87.8 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -30.4 | -170.3 | -61 | -62.7 | 0 | 0 | 0 | 113.4 | S282 K287 Q288 | S282-D284 PolarHBondContact O-N 3.38Å; S282-D284 PolarHBondContact OG-N 2.89Å; D284-K287 PolarHBondContact O-N 3.44Å; D284-K287 IonicContact OD1-NZ 2.6Å; D284-K287 PolarHBondContact OD1-NZ 3.24Å; D284-Q288 WeakPolarHBondContact O-CG 3.38Å; D284-Q288 PolarHBondContact O-NE2 2.94Å |
| 285 | S | 85.7 | Confident | 88.2 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.3 | -33.2 | 165.1 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | S282 K287 Q288 I289 D310 Q312 | S282-S285 PolarHBondContact N-OG 3.45Å; S282-S285 PolarHBondContact OG-N 3.17Å; S282-S285 PolarHBondContact OG-OG 2.98Å; S285-K287 PolarHBondContact O-N 3.44Å; S285-K287 VanDerWaalsContact O-N 3.08Å; S285-Q288 CarbonylContact O-C 3.59Å; S285-Q288 WeakPolarHBondContact O-CA 3.3Å; S285-Q288 WeakPolarHBondContact O-CB 3.4Å; S285-Q288 PolarHBondContact O-N 2.96Å; S285-I289 PolarHBondContact O-N 3.31Å; S285-D310 VanDerWaalsContact CB-OD2 3.28Å; S285-D310 WeakPolarHBondContact CB-OD2 3.27Å; S285-D310 VanDerWaalsContact OG-CG 3.31Å; S285-D310 PolarHBondContact OG-OD1 3.24Å; S285-D310 PolarHBondContact OG-OD2 2.83Å; S285-Q312 PolarHBondContact O-OE1 3.3Å |
| 286 | D | 87.9 | Confident | 88.3 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -24 | 173.5 | -171.9 | 49.6 | 0 | 0 | 0 | 113.1 | A281 S282 K294 H298 A303 | A281-D286 HydrophobicContact CB-CB 3.94Å; S282-D286 VanDerWaalsContact O-CB 3.28Å; S282-D286 WeakPolarHBondContact O-CB 3.49Å; S282-D286 PolarHBondContact O-N 3.05Å; D286-K294 VanDerWaalsContact CG-NZ 3.26Å; D286-K294 WeakPolarHBondContact O-CE 3.41Å; D286-K294 PolarHBondContact O-NZ 3.3Å; D286-K294 IonicContact OD1-NZ 3Å; D286-K294 PolarHBondContact OD1-NZ 2.68Å; D286-K294 IonicContact OD2-NZ 2.8Å; D286-H298 IonicContact OD1-NE2 2.78Å; D286-H298 PolarHBondContact OD1-NE2 3.28Å; D286-A303 HydrophobicContact CB-CB 4.44Å |
| 287 | K | 87.3 | Confident | 88.3 | Confident | 156 Ų | 156 | 53.5 Ų | 53.5 | 68% | 0.678 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -78.9 | -26.3 | 171.5 | -58.6 | 168.1 | -173.6 | 159.3 | 0 | 113 | K283 D284 S285 | K283-K287 WeakPolarHBondContact O-CE 3.32Å; D284-K287 PolarHBondContact O-N 3.44Å; D284-K287 IonicContact OD1-NZ 2.6Å; D284-K287 PolarHBondContact OD1-NZ 3.24Å; S285-K287 PolarHBondContact O-N 3.44Å; S285-K287 VanDerWaalsContact O-N 3.08Å |
| 288 | Q | 86.3 | Confident | 88.2 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -85.9 | -15.4 | -179.8 | -67.4 | 167.4 | 55.1 | 0 | 0 | 112.5 | D284 S285 L290 Q312 | D284-Q288 WeakPolarHBondContact O-CG 3.38Å; D284-Q288 PolarHBondContact O-NE2 2.94Å; S285-Q288 CarbonylContact O-C 3.59Å; S285-Q288 WeakPolarHBondContact O-CA 3.3Å; S285-Q288 WeakPolarHBondContact O-CB 3.4Å; S285-Q288 PolarHBondContact O-N 2.96Å; Q288-L290 PolarHBondContact O-N 3.41Å; Q288-Q312 PolarHBondContact O-NE2 3.41Å |
| 289 | I | 86.5 | Confident | 88 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -77.9 | 111.8 | 170.3 | -61 | 173.8 | 0 | 0 | 0 | 108.9 | A251 Y279 A281 S285 R293 K294 Q312 | A251-I289 HydrophobicContact CB-CD1 4.38Å; Y279-I289 HydrophobicContact CD2-CD1 3.98Å; Y279-I289 HydrophobicContact CD2-CG2 4.24Å; Y279-I289 HydrophobicContact CE2-CG2 4.11Å; Y279-I289 HydrophobicContact CG-CD1 4.19Å; A281-I289 HydrophobicContact CB-CD1 4.38Å; S285-I289 PolarHBondContact O-N 3.31Å; I289-R293 HydrophobicContact CG2-CB 4.3Å; I289-K294 HydrophobicContact CG2-CG 3.88Å; I289-K294 WeakPolarHBondContact O-CE 3.44Å; I289-Q312 HydrophobicContact CG1-CB 4.29Å |
| 290 | L | 84.5 | Confident | 87.9 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 40% | 0.398 | 33% | 0.328 | S | S | . | . | trans | -55.8 | 140.5 | 178.3 | -69.9 | 168.2 | 0 | 0 | 0 | 112.4 | D255 Q288 S292 R293 | D255-L290 WeakPolarHBondContact OD1-CD1 3.31Å; D255-L290 WeakPolarHBondContact OD2-CD1 3.39Å; Q288-L290 PolarHBondContact O-N 3.41Å; L290-S292 PolarHBondContact O-N 3.17Å; L290-S292 VanDerWaalsContact O-N 3.15Å; L290-R293 HydrophobicContact CB-CG 4.21Å; L290-R293 WeakPolarHBondContact O-CB 3.48Å; L290-R293 PolarHBondContact O-N 2.82Å | ||
| 291 | Q | 83.9 | Confident | 87.7 | Confident | 126 Ų | 126 | 68.4 Ų | 68.4 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -56.6 | -34.3 | -178.4 | -169.6 | 66.1 | 11.8 | 0 | 0 | 112.7 | R293 K294 | Q291-R293 PolarHBondContact O-N 3.49Å; Q291-K294 PolarHBondContact O-N 2.95Å |
| 292 | S | 84.3 | Confident | 87.6 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 51% | 0.51 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -72.7 | 15.9 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | K258 L290 | K258-S292 PolarHBondContact NZ-O 3.09Å; L290-S292 PolarHBondContact O-N 3.17Å; L290-S292 VanDerWaalsContact O-N 3.15Å |
| 293 | R | 86.5 | Confident | 87.7 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 5% | 0.045 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -130 | -11.3 | 175.8 | -55.9 | 175.5 | 177.1 | -144 | -0.2 | 112.7 | A251 A253 D255 Y279 I289 L290 Q291 | A251-R293 PolarHBondContact O-NH1 2.92Å; A253-R293 PolarHBondContact O-NH1 3.03Å; A253-R293 PolarHBondContact O-NH2 3.37Å; D255-R293 IonicContact OD1-CZ 2.77Å; D255-R293 IonicContact OD1-NE 3.37Å; D255-R293 IonicContact OD1-NH2 2.86Å; D255-R293 PolarHBondContact OD1-NH2 2.69Å; Y279-R293 WeakPolarHBondContact CE2-O 3.33Å; Y279-R293 PolarHBondContact OH-O 2.8Å; I289-R293 HydrophobicContact CG2-CB 4.3Å; L290-R293 HydrophobicContact CB-CG 4.21Å; L290-R293 WeakPolarHBondContact O-CB 3.48Å; L290-R293 PolarHBondContact O-N 2.82Å; Q291-R293 PolarHBondContact O-N 3.49Å |
| 294 | K | 90.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 13% | 0.13 | 32% | 0.323 | C | S | . | . | trans | -83.2 | 132.8 | -179.8 | -64.7 | -175.1 | 177.1 | -142.4 | 0 | 109.6 | D286 I289 Q291 V299 | D286-K294 VanDerWaalsContact CG-NZ 3.26Å; D286-K294 WeakPolarHBondContact O-CE 3.41Å; D286-K294 PolarHBondContact O-NZ 3.3Å; D286-K294 IonicContact OD1-NZ 3Å; D286-K294 PolarHBondContact OD1-NZ 2.68Å; D286-K294 IonicContact OD2-NZ 2.8Å; I289-K294 HydrophobicContact CG2-CG 3.88Å; I289-K294 WeakPolarHBondContact O-CE 3.44Å; Q291-K294 PolarHBondContact O-N 2.95Å; K294-V299 HydrophobicContact CB-CG2 3.91Å | ||
| 295 | S | 91.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | trans | -68.9 | 160 | 172 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | D267 T277 E297 H298 V299 | D267-S295 WeakPolarHBondContact OD1-CB 3.19Å; D267-S295 VanDerWaalsContact OD2-CA 3.24Å; D267-S295 WeakPolarHBondContact OD2-CA 3.22Å; D267-S295 WeakPolarHBondContact OD2-CB 3.28Å; T277-S295 PolarHBondContact O-OG 2.76Å; T277-S295 WeakPolarHBondContact OG1-CB 3.46Å; T277-S295 PolarHBondContact OG1-OG 2.79Å; S295-E297 PolarHBondContact O-N 3.02Å; S295-H298 PolarHBondContact O-N 3.27Å; S295-H298 VanDerWaalsContact O-N 3.11Å; S295-H298 WeakPolarHBondContact OG-CB 3.29Å; S295-H298 PolarHBondContact OG-N 2.99Å; S295-H298 VanDerWaalsContact OG-N 3.16Å; S295-V299 WeakPolarHBondContact O-CG2 3.34Å; S295-V299 PolarHBondContact O-N 2.95Å | ||
| 296 | A | 89.7 | Confident | 87.6 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.9 | -36.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D267 K300 | D267-A296 PolarHBondContact OD2-N 2.89Å; A296-K300 VanDerWaalsContact O-CB 3.27Å; A296-K300 WeakPolarHBondContact O-CB 3.44Å; A296-K300 PolarHBondContact O-N 3.4Å |
| 297 | E | 88.8 | Confident | 87 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 172.2 | -161 | -153.2 | 156.2 | 0 | 0 | 111.3 | C276 T277 R278 S295 K300 L301 | C276-E297 WeakPolarHBondContact CA-OE2 3.29Å; C276-E297 PolarHBondContact SG-OE1 2.84Å; C276-E297 PolarHBondContact SG-OE2 3.06Å; C276-E297 VanDerWaalsContact SG-OE2 3.37Å; T277-E297 PolarHBondContact N-OE2 3.05Å; T277-E297 PolarHBondContact OG1-OE2 2.99Å; R278-E297 VanDerWaalsContact CD-CD 3.42Å; R278-E297 WeakPolarHBondContact CD-OE1 3.34Å; R278-E297 HydrophobicContact CG-CB 4.31Å; R278-E297 HydrophobicContact CG-CG 4.05Å; S295-E297 PolarHBondContact O-N 3.02Å; E297-K300 PolarHBondContact O-N 3.33Å; E297-L301 HydrophobicContact CG-CD1 4.13Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 PolarHBondContact O-N 3.2Å |
| 298 | H | 90.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.2 | -33 | -178.8 | -178.9 | 106.1 | 0 | 0 | 0 | 113.2 | R278 Y279 D286 S295 K300 G302 A303 | R278-H298 WeakPolarHBondContact CA-CE1 3.42Å; R278-H298 HydrophobicContact CB-CB 4.39Å; R278-H298 WeakPolarHBondContact CB-CE1 3.36Å; R278-H298 HydrophobicContact CG-CB 3.96Å; Y279-H298 AromaticContact CD2-ND1 3.99Å; Y279-H298 PolarHBondContact N-CE1 2.7Å; Y279-H298 PolarHBondContact N-ND1 3.23Å; Y279-H298 PolarHBondContact O-CE1 2.78Å; Y279-H298 PolarHBondContact O-NE2 3.4Å; D286-H298 IonicContact OD1-NE2 2.78Å; D286-H298 PolarHBondContact OD1-NE2 3.28Å; S295-H298 PolarHBondContact O-N 3.27Å; S295-H298 VanDerWaalsContact O-N 3.11Å; S295-H298 WeakPolarHBondContact OG-CB 3.29Å; S295-H298 PolarHBondContact OG-N 2.99Å; S295-H298 VanDerWaalsContact OG-N 3.16Å; H298-K300 VanDerWaalsContact C-N 3.34Å; H298-G302 WeakPolarHBondContact O-CA 3.28Å; H298-G302 PolarHBondContact O-N 2.92Å; H298-A303 WeakPolarHBondContact NE2-CA 3.47Å; H298-A303 WeakPolarHBondContact NE2-CB 3.38Å |
| 299 | V | 89.9 | Confident | 86.5 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 171.3 | 175 | 0 | 0 | 0 | 0 | 111.1 | K294 S295 | K294-V299 HydrophobicContact CB-CG2 3.91Å; S295-V299 WeakPolarHBondContact O-CG2 3.34Å; S295-V299 PolarHBondContact O-N 2.95Å |
| 300 | K | 90.8 | Very high | 86.8 | Confident | 180 Ų | 180 | 64 Ų | 64 | 78% | 0.783 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -78.3 | -38.1 | 179.9 | -174.3 | 178.5 | 178.7 | -177.2 | 0 | 114.1 | A296 E297 H298 | A296-K300 VanDerWaalsContact O-CB 3.27Å; A296-K300 WeakPolarHBondContact O-CB 3.44Å; A296-K300 PolarHBondContact O-N 3.4Å; E297-K300 PolarHBondContact O-N 3.33Å; H298-K300 VanDerWaalsContact C-N 3.34Å |
| 301 | L | 88.3 | Confident | 87.2 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 52% | 0.518 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -113.9 | -3.6 | -172.6 | -60 | -179.8 | 0 | 0 | 0 | 114.2 | R278 E297 | R278-L301 PolarHBondContact NH2-O 3.21Å; E297-L301 HydrophobicContact CG-CD1 4.13Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 PolarHBondContact O-N 3.2Å |
| 302 | G | 89.1 | Confident | 87.6 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | trans | 69.3 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R278 H298 | R278-G302 PolarHBondContact NE-O 3.01Å; R278-G302 PolarHBondContact NH2-O 2.91Å; H298-G302 WeakPolarHBondContact O-CA 3.28Å; H298-G302 PolarHBondContact O-N 2.92Å | ||
| 303 | A | 89.3 | Confident | 87.9 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | trans | -58 | 147.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y279 A281 D286 H298 | Y279-A303 WeakPolarHBondContact O-CA 3.21Å; A281-A303 HydrophobicContact CB-CB 3.86Å; D286-A303 HydrophobicContact CB-CB 4.44Å; H298-A303 WeakPolarHBondContact NE2-CA 3.47Å; H298-A303 WeakPolarHBondContact NE2-CB 3.38Å | ||
| 304 | L | 89 | Confident | 88.1 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 145.4 | 164.1 | -63.4 | 170.3 | 0 | 0 | 0 | 109 | K194 R278 Y279 F280 A281 | K194-L304 HydrophobicContact CD-CD1 4.3Å; R278-L304 HydrophobicContact CB-CD1 4.12Å; R278-L304 HydrophobicContact CB-CG 3.86Å; Y279-L304 PolarHBondContact O-N 2.79Å; F280-L304 WeakPolarHBondContact CA-O 3.47Å; F280-L304 HydrophobicContact CD1-CB 3.39Å; F280-L304 HydrophobicContact CD1-CD1 4.26Å; F280-L304 HydrophobicContact CD1-CG 4.47Å; F280-L304 HydrophobicContact CD2-CD1 4.48Å; F280-L304 HydrophobicContact CE1-CB 3.64Å; F280-L304 HydrophobicContact CE1-CD1 3.97Å; F280-L304 HydrophobicContact CE1-CG 4.4Å; F280-L304 HydrophobicContact CE2-CD1 4.22Å; F280-L304 HydrophobicContact CG-CB 4.03Å; F280-L304 HydrophobicContact CG-CD1 4.49Å; F280-L304 HydrophobicContact CZ-CB 4.45Å; F280-L304 HydrophobicContact CZ-CD1 3.94Å; A281-L304 PolarHBondContact N-O 2.9Å; A281-L304 VanDerWaalsContact N-O 3.15Å |
| 305 | R | 84.1 | Confident | 88.3 | Confident | 134 Ų | 134 | 52.2 Ų | 52.2 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | trans | -113.7 | 127.1 | -179.6 | -56.7 | -57.6 | -178.5 | -171.3 | -1.9 | 109.9 | A281 S282 | A281-R305 PolarHBondContact O-NH1 3.32Å; S282-R305 PolarHBondContact O-NH1 2.99Å | ||
| 306 | D | 81.8 | Confident | 88.3 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | trans | -148.9 | 143.2 | 176.2 | -173.3 | -79.2 | 0 | 0 | 0 | 107.2 | N199 F280 L308 L309 | N199-D306 WeakPolarHBondContact CB-OD2 3.38Å; N199-D306 PolarHBondContact ND2-OD2 3.48Å; F280-D306 HydrophobicContact CD1-CB 3.72Å; F280-D306 HydrophobicContact CE1-CB 3.98Å; D306-L308 VanDerWaalsContact C-N 3.31Å; D306-L308 PolarHBondContact O-N 2.9Å; D306-L308 PolarHBondContact OD1-N 3.05Å; D306-L309 HydrophobicContact CB-CB 4.05Å; D306-L309 PolarHBondContact OD1-N 2.82Å | ||
| 307 | P | 74.6 | Confident | 88.4 | Confident | 129 Ų | 129 | 58.9 Ų | 58.9 | 84% | 0.838 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -72.1 | -20.1 | -179.5 | -19.6 | 33.5 | 0 | 0 | 0 | 114.7 | ||
| 308 | L | 78.9 | Confident | 88.6 | Confident | 139 Ų | 139 | 56.2 Ų | 56.2 | 73% | 0.728 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -112.5 | -38.1 | -171 | -59.1 | 177 | 0 | 0 | 0 | 112.3 | D306 R317 | D306-L308 VanDerWaalsContact C-N 3.31Å; D306-L308 PolarHBondContact O-N 2.9Å; D306-L308 PolarHBondContact OD1-N 3.05Å; L308-R317 PolarHBondContact O-NH2 3.08Å |
| 309 | L | 85.9 | Confident | 88.6 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | trans | -86.1 | 136.1 | -178.5 | -64.2 | 175.9 | 0 | 0 | 0 | 113.4 | N199 N200 F280 D306 | N199-L309 HydrophobicContact CB-CD1 3.73Å; N200-L309 HydrophobicContact CB-CD1 4.11Å; N200-L309 HydrophobicContact CB-CD2 4.13Å; N200-L309 HydrophobicContact CB-CG 4.42Å; F280-L309 HydrophobicContact CB-CB 3.98Å; F280-L309 HydrophobicContact CD1-CB 4.35Å; F280-L309 HydrophobicContact CD1-CD1 4.43Å; F280-L309 HydrophobicContact CD2-CB 4.12Å; F280-L309 HydrophobicContact CD2-CD1 3.78Å; F280-L309 HydrophobicContact CE1-CD1 4.3Å; F280-L309 HydrophobicContact CE2-CD1 3.63Å; F280-L309 HydrophobicContact CG-CB 3.92Å; F280-L309 HydrophobicContact CG-CD1 4.2Å; F280-L309 HydrophobicContact CZ-CD1 3.92Å; D306-L309 HydrophobicContact CB-CB 4.05Å; D306-L309 PolarHBondContact OD1-N 2.82Å | ||
| 310 | D | 91.7 | Very high | 88.7 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | trans | -151 | 107 | 172.2 | -174.2 | -52.1 | 0 | 0 | 0 | 106.6 | S282 S285 Q312 G313 D314 | S282-D310 PolarHBondContact N-OD2 3.48Å; S285-D310 VanDerWaalsContact CB-OD2 3.28Å; S285-D310 WeakPolarHBondContact CB-OD2 3.27Å; S285-D310 VanDerWaalsContact OG-CG 3.31Å; S285-D310 PolarHBondContact OG-OD1 3.24Å; S285-D310 PolarHBondContact OG-OD2 2.83Å; D310-Q312 PolarHBondContact O-N 3.13Å; D310-Q312 VanDerWaalsContact O-N 3.15Å; D310-Q312 PolarHBondContact OD1-N 2.95Å; D310-G313 PolarHBondContact O-N 3.07Å; D310-G313 PolarHBondContact OD1-N 3.33Å; D310-D314 PolarHBondContact N-OD2 2.89Å; D310-D314 WeakPolarHBondContact O-CA 3.44Å; D310-D314 WeakPolarHBondContact O-CB 3.19Å; D310-D314 PolarHBondContact O-N 3.25Å | ||
| 311 | D | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -27.2 | -169.5 | -71.4 | -55.4 | 0 | 0 | 0 | 112.5 | R241 R248 A251 Y279 F280 F315 | R241-D311 IonicContact CZ-OD1 2.66Å; R241-D311 IonicContact CZ-OD2 2.72Å; R241-D311 IonicContact NH1-OD1 3.5Å; R241-D311 IonicContact NH1-OD2 2.67Å; R241-D311 PolarHBondContact NH1-OD2 2.64Å; R241-D311 IonicContact NH2-OD1 3.17Å; R241-D311 PolarHBondContact NH2-OD1 3.25Å; R241-D311 IonicContact NH2-OD2 2.67Å; R241-D311 PolarHBondContact NH2-OD2 3.24Å; R248-D311 WeakPolarHBondContact CA-O 3.16Å; R248-D311 HydrophobicContact CG-CB 4.16Å; R248-D311 WeakPolarHBondContact CG-O 3.42Å; A251-D311 HydrophobicContact CB-CB 4.33Å; Y279-D311 VanDerWaalsContact CA-OD2 3.23Å; Y279-D311 WeakPolarHBondContact CA-OD2 3.3Å; Y279-D311 HydrophobicContact CD1-CB 4.29Å; F280-D311 PolarHBondContact N-OD2 3.26Å; F280-D311 PolarHBondContact O-N 3.14Å; D311-F315 PolarHBondContact O-N 2.77Å |
| 312 | Q | 91.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -82.8 | -45.3 | 176.9 | -171.2 | 176.7 | 30.6 | 0 | 0 | 111.6 | A251 S285 Q288 I289 D310 D314 F315 N316 | A251-Q312 HydrophobicContact CB-CB 4.49Å; S285-Q312 PolarHBondContact O-OE1 3.3Å; Q288-Q312 PolarHBondContact O-NE2 3.41Å; I289-Q312 HydrophobicContact CG1-CB 4.29Å; D310-Q312 PolarHBondContact O-N 3.13Å; D310-Q312 VanDerWaalsContact O-N 3.15Å; D310-Q312 PolarHBondContact OD1-N 2.95Å; Q312-D314 VanDerWaalsContact C-N 3.3Å; Q312-D314 PolarHBondContact O-N 3.36Å; Q312-F315 PolarHBondContact O-N 3.07Å; Q312-N316 PolarHBondContact O-N 2.84Å; Q312-N316 PolarHBondContact O-ND2 2.93Å |
| 313 | G | 91.1 | Very high | 88.6 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D310 N316 R317 | D310-G313 PolarHBondContact O-N 3.07Å; D310-G313 PolarHBondContact OD1-N 3.33Å; G313-N316 WeakPolarHBondContact O-CB 3.46Å; G313-N316 PolarHBondContact O-N 3.49Å; G313-R317 WeakPolarHBondContact O-CG 3.36Å; G313-R317 PolarHBondContact O-N 2.91Å |
| 314 | D | 91.9 | Very high | 88.3 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 177.3 | -77.3 | -34.6 | 0 | 0 | 0 | 113.6 | R248 D310 Q312 N316 R317 M318 | R248-D314 HydrophobicContact CG-CB 4.21Å; R248-D314 VanDerWaalsContact CZ-CB 3.47Å; R248-D314 IonicContact CZ-OD2 3.14Å; R248-D314 IonicContact NE-OD2 2.74Å; R248-D314 IonicContact NH2-OD1 2.86Å; R248-D314 IonicContact NH2-OD2 3.33Å; R248-D314 PolarHBondContact NH2-OD2 3.12Å; D310-D314 PolarHBondContact N-OD2 2.89Å; D310-D314 WeakPolarHBondContact O-CA 3.44Å; D310-D314 WeakPolarHBondContact O-CB 3.19Å; D310-D314 PolarHBondContact O-N 3.25Å; Q312-D314 VanDerWaalsContact C-N 3.3Å; Q312-D314 PolarHBondContact O-N 3.36Å; D314-N316 PolarHBondContact O-N 3.27Å; D314-R317 PolarHBondContact O-N 3.38Å; D314-R317 IonicContact OD1-CZ 3.44Å; D314-R317 IonicContact OD1-NE 3.2Å; D314-R317 PolarHBondContact OD1-NE 3.26Å; D314-R317 IonicContact OD1-NH2 2.69Å; D314-R317 PolarHBondContact OD1-NH2 3.33Å; D314-R317 IonicContact OD2-NH2 3.43Å; D314-M318 WeakPolarHBondContact O-CB 3.39Å; D314-M318 PolarHBondContact O-N 3.41Å |
| 315 | F | 93.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 4% | 0.044 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 172.2 | -177.2 | -99.2 | 0 | 0 | 0 | 111 | R248 L249 G252 L257 D311 Q312 M318 C319 F336 | R248-F315 HydrophobicContact CB-CB 4.2Å; R248-F315 HydrophobicContact CB-CD2 4.34Å; R248-F315 WeakPolarHBondContact O-CB 3.17Å; R248-F315 VanDerWaalsContact O-CD2 3.29Å; R248-F315 WeakPolarHBondContact O-CD2 3.27Å; R248-F315 WeakPolarHBondContact O-CG 3.41Å; L249-F315 HydrophobicContact CB-CE2 4.47Å; L249-F315 HydrophobicContact CD1-CE2 3.72Å; L249-F315 HydrophobicContact CD1-CZ 4.17Å; G252-F315 VanDerWaalsContact C-CE1 3.5Å; G252-F315 VanDerWaalsContact O-CD1 3.24Å; G252-F315 WeakPolarHBondContact O-CD1 3.42Å; G252-F315 VanDerWaalsContact O-CE1 3.27Å; G252-F315 WeakPolarHBondContact O-CE1 3.41Å; L257-F315 HydrophobicContact CD2-CZ 4.3Å; D311-F315 PolarHBondContact O-N 2.77Å; Q312-F315 PolarHBondContact O-N 3.07Å; F315-M318 HydrophobicContact CD2-CE 3.63Å; F315-M318 HydrophobicContact CE2-CE 3.78Å; F315-C319 WeakPolarHBondContact O-CB 3.23Å; F315-C319 PolarHBondContact O-N 3.48Å; F315-C319 PolarHBondContact O-SG 2.68Å; F315-F336 HydrophobicContact CE2-CE1 4.12Å; F315-F336 HydrophobicContact CE2-CE2 4.16Å; F315-F336 AromaticContact CE2-CZ 3.7Å; F315-F336 HydrophobicContact CE2-CZ 3.7Å; F315-F336 AromaticContact CZ-CE2 3.9Å; F315-F336 HydrophobicContact CZ-CE2 3.9Å; F315-F336 AromaticContact CZ-CZ 3.86Å; F315-F336 HydrophobicContact CZ-CZ 3.86Å |
| 316 | N | 91.9 | Very high | 88 | Confident | 87 Ų | 87 | 50.2 Ų | 50.2 | 47% | 0.465 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.5 | -45.3 | 175 | -67.2 | -34.5 | 0 | 0 | 0 | 112 | Q312 G313 D314 M318 C319 V320 | Q312-N316 PolarHBondContact O-N 2.84Å; Q312-N316 PolarHBondContact O-ND2 2.93Å; G313-N316 WeakPolarHBondContact O-CB 3.46Å; G313-N316 PolarHBondContact O-N 3.49Å; D314-N316 PolarHBondContact O-N 3.27Å; N316-M318 VanDerWaalsContact C-N 3.32Å; N316-M318 PolarHBondContact O-N 3.39Å; N316-C319 PolarHBondContact O-N 3.03Å; N316-V320 WeakPolarHBondContact O-CG2 3.27Å; N316-V320 PolarHBondContact O-N 3.26Å |
| 317 | R | 90.9 | Very high | 88.3 | Confident | 127 Ų | 127 | 48.8 Ų | 48.8 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 174.4 | -68.2 | -169.4 | -80.6 | -139.4 | 12.6 | 111.7 | L308 G313 D314 V320 A321 | L308-R317 PolarHBondContact O-NH2 3.08Å; G313-R317 WeakPolarHBondContact O-CG 3.36Å; G313-R317 PolarHBondContact O-N 2.91Å; D314-R317 PolarHBondContact O-N 3.38Å; D314-R317 IonicContact OD1-CZ 3.44Å; D314-R317 IonicContact OD1-NE 3.2Å; D314-R317 PolarHBondContact OD1-NE 3.26Å; D314-R317 IonicContact OD1-NH2 2.69Å; D314-R317 PolarHBondContact OD1-NH2 3.33Å; D314-R317 IonicContact OD2-NH2 3.43Å; R317-V320 PolarHBondContact O-N 2.8Å; R317-A321 WeakPolarHBondContact O-CB 3.28Å; R317-A321 PolarHBondContact O-N 3.5Å |
| 318 | M | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 176.1 | -179.4 | -165 | 71.4 | 0 | 0 | 112.1 | L186 A189 I245 D314 F315 N316 V320 A321 M322 F336 | L186-M318 HydrophobicContact CD1-CG 4.33Å; A189-M318 HydrophobicContact CB-CG 4.24Å; A189-M318 HydrophobicContact CB-SD 3.49Å; A189-M318 WeakPolarHBondContact CB-SD 3.37Å; I245-M318 HydrophobicContact CD1-CE 3.84Å; I245-M318 HydrophobicContact CD1-SD 3.6Å; I245-M318 VanDerWaalsContact CD1-SD 3.6Å; D314-M318 WeakPolarHBondContact O-CB 3.39Å; D314-M318 PolarHBondContact O-N 3.41Å; F315-M318 HydrophobicContact CD2-CE 3.63Å; F315-M318 HydrophobicContact CE2-CE 3.78Å; N316-M318 VanDerWaalsContact C-N 3.32Å; N316-M318 PolarHBondContact O-N 3.39Å; M318-V320 VanDerWaalsContact C-N 3.32Å; M318-V320 PolarHBondContact O-N 2.93Å; M318-A321 WeakPolarHBondContact O-CB 3.42Å; M318-A321 PolarHBondContact O-N 3.31Å; M318-M322 HydrophobicContact CE-CE 4.06Å; M318-M322 HydrophobicContact CE-SD 4.45Å; M318-M322 HydrophobicContact CG-CE 4.14Å; M318-M322 HydrophobicContact CG-SD 4.46Å; M318-M322 WeakPolarHBondContact O-CG 3.27Å; M318-M322 PolarHBondContact O-N 2.95Å; M318-M322 HydrophobicContact SD-CE 4.07Å; M318-F336 HydrophobicContact CE-CE1 3.63Å; M318-F336 HydrophobicContact CE-CZ 3.78Å |
| 319 | C | 91.3 | Very high | 89.5 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -36.5 | 176.3 | -75 | 0 | 0 | 0 | 0 | 112.7 | F315 N316 K323 | F315-C319 WeakPolarHBondContact O-CB 3.23Å; F315-C319 PolarHBondContact O-N 3.48Å; F315-C319 PolarHBondContact O-SG 2.68Å; N316-C319 PolarHBondContact O-N 3.03Å; C319-K323 PolarHBondContact O-N 3.34Å |
| 320 | V | 90.4 | Very high | 89.7 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 172.5 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | N316 R317 M318 M322 K323 K324 | N316-V320 WeakPolarHBondContact O-CG2 3.27Å; N316-V320 PolarHBondContact O-N 3.26Å; R317-V320 PolarHBondContact O-N 2.8Å; M318-V320 VanDerWaalsContact C-N 3.32Å; M318-V320 PolarHBondContact O-N 2.93Å; V320-M322 PolarHBondContact O-N 2.84Å; V320-K323 PolarHBondContact O-N 2.79Å; V320-K324 PolarHBondContact O-N 3.17Å |
| 321 | A | 88.9 | Confident | 89.7 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.7 | -49.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E182 P185 R317 M318 K323 K324 I325 | E182-A321 WeakPolarHBondContact O-CB 3.28Å; P185-A321 HydrophobicContact CB-CB 4.21Å; R317-A321 WeakPolarHBondContact O-CB 3.28Å; R317-A321 PolarHBondContact O-N 3.5Å; M318-A321 WeakPolarHBondContact O-CB 3.42Å; M318-A321 PolarHBondContact O-N 3.31Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.7Å; A321-K324 PolarHBondContact O-N 3.4Å; A321-I325 HydrophobicContact CB-CD1 4.33Å; A321-I325 WeakPolarHBondContact O-CB 3.13Å; A321-I325 WeakPolarHBondContact O-CD1 3.38Å; A321-I325 WeakPolarHBondContact O-CG1 3.34Å; A321-I325 PolarHBondContact O-N 3.01Å |
| 322 | M | 90.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -51 | -45.1 | 175.4 | -74.3 | 172.5 | 165 | 0 | 0 | 112.1 | L186 F190 M318 V320 I325 G326 L327 K332 L335 F336 | L186-M322 HydrophobicContact CD1-CE 3.47Å; L186-M322 VanDerWaalsContact CD1-CE 3.47Å; L186-M322 HydrophobicContact CD1-CG 3.97Å; L186-M322 HydrophobicContact CD2-CG 4.48Å; F190-M322 HydrophobicContact CE2-CE 4.08Å; M318-M322 HydrophobicContact CE-CE 4.06Å; M318-M322 HydrophobicContact CE-SD 4.45Å; M318-M322 HydrophobicContact CG-CE 4.14Å; M318-M322 HydrophobicContact CG-SD 4.46Å; M318-M322 WeakPolarHBondContact O-CG 3.27Å; M318-M322 PolarHBondContact O-N 2.95Å; M318-M322 HydrophobicContact SD-CE 4.07Å; V320-M322 PolarHBondContact O-N 2.84Å; M322-I325 CarbonylContact O-C 3.46Å; M322-I325 PolarHBondContact O-N 3.34Å; M322-G326 PolarHBondContact O-N 3.42Å; M322-L327 HydrophobicContact CB-CB 4.4Å; M322-L327 HydrophobicContact CG-CD2 4.39Å; M322-L327 WeakPolarHBondContact O-CB 3.37Å; M322-L327 PolarHBondContact O-N 2.89Å; M322-K332 HydrophobicContact SD-CB 4.47Å; M322-K332 HydrophobicContact SD-CD 4.15Å; M322-K332 HydrophobicContact SD-CG 3.88Å; M322-L335 HydrophobicContact CE-CD1 3.96Å; M322-F336 HydrophobicContact CE-CE1 3.82Å; M322-F336 HydrophobicContact CE-CZ 4.23Å; M322-F336 HydrophobicContact SD-CE1 4.3Å; M322-F336 HydrophobicContact SD-CZ 4.1Å |
| 323 | K | 88.2 | Confident | 89.7 | Confident | 146 Ų | 146 | 53.5 Ų | 53.5 | 64% | 0.635 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.3 | -35 | 179.4 | -172.6 | 167.9 | -176.9 | 165.6 | 0 | 113.2 | C319 V320 A321 G326 | C319-K323 PolarHBondContact O-N 3.34Å; V320-K323 PolarHBondContact O-N 2.79Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.7Å; K323-G326 WeakPolarHBondContact O-CA 3.42Å; K323-G326 PolarHBondContact O-N 3.4Å |
| 324 | K | 83.3 | Confident | 89.8 | Confident | 116 Ų | 116 | 53.6 Ų | 53.6 | 50% | 0.504 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.6 | -33.1 | 175.1 | -71.3 | -162.9 | 174.9 | -161.2 | 0 | 113.5 | E182 V320 A321 G326 | E182-K324 WeakPolarHBondContact OE1-CD 3.39Å; E182-K324 WeakPolarHBondContact OE1-CE 3.24Å; E182-K324 IonicContact OE1-NZ 2.81Å; E182-K324 PolarHBondContact OE1-NZ 3.27Å; E182-K324 WeakPolarHBondContact OE2-CB 3.27Å; E182-K324 WeakPolarHBondContact OE2-CD 3.24Å; E182-K324 IonicContact OE2-NZ 3.04Å; V320-K324 PolarHBondContact O-N 3.17Å; A321-K324 PolarHBondContact O-N 3.4Å; K324-G326 PolarHBondContact O-N 3.16Å; K324-G326 VanDerWaalsContact O-N 3.12Å |
| 325 | I | 83.3 | Confident | 89.9 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 0.6 | 164.7 | -57.1 | 160.6 | 0 | 0 | 0 | 110.1 | L186 A321 M322 L327 R436 V437 C440 | L186-I325 HydrophobicContact CB-CD1 4.15Å; L186-I325 HydrophobicContact CD2-CD1 3.7Å; A321-I325 HydrophobicContact CB-CD1 4.33Å; A321-I325 WeakPolarHBondContact O-CB 3.13Å; A321-I325 WeakPolarHBondContact O-CD1 3.38Å; A321-I325 WeakPolarHBondContact O-CG1 3.34Å; A321-I325 PolarHBondContact O-N 3.01Å; M322-I325 CarbonylContact O-C 3.46Å; M322-I325 PolarHBondContact O-N 3.34Å; I325-L327 VanDerWaalsContact C-N 3.26Å; I325-L327 HydrophobicContact CB-CD1 3.86Å; I325-L327 HydrophobicContact CG2-CD1 3.47Å; I325-L327 VanDerWaalsContact CG2-CD1 3.47Å; I325-L327 PolarHBondContact O-N 2.93Å; I325-R436 PolarHBondContact O-NH1 2.87Å; I325-R436 VanDerWaalsContact O-NH1 3.09Å; I325-V437 HydrophobicContact CG2-CG2 4.41Å; I325-C440 HydrophobicContact CG2-CB 4.28Å; I325-C440 WeakPolarHBondContact CG2-SG 3.13Å; I325-C440 PolarHBondContact O-SG 3Å |
| 326 | G | 83.5 | Confident | 90 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 22.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M322 K323 K324 R436 | M322-G326 PolarHBondContact O-N 3.42Å; K323-G326 WeakPolarHBondContact O-CA 3.42Å; K323-G326 PolarHBondContact O-N 3.4Å; K324-G326 PolarHBondContact O-N 3.16Å; K324-G326 VanDerWaalsContact O-N 3.12Å; G326-R436 PolarHBondContact O-NH2 3.42Å |
| 327 | L | 87.2 | Confident | 90.1 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | trans | -68 | 130.5 | 164.4 | -76.6 | 73 | 0 | 0 | 0 | 108 | M322 I325 E331 L335 R436 | M322-L327 HydrophobicContact CB-CB 4.4Å; M322-L327 HydrophobicContact CG-CD2 4.39Å; M322-L327 WeakPolarHBondContact O-CB 3.37Å; M322-L327 PolarHBondContact O-N 2.89Å; I325-L327 VanDerWaalsContact C-N 3.26Å; I325-L327 HydrophobicContact CB-CD1 3.86Å; I325-L327 HydrophobicContact CG2-CD1 3.47Å; I325-L327 VanDerWaalsContact CG2-CD1 3.47Å; I325-L327 PolarHBondContact O-N 2.93Å; L327-E331 WeakPolarHBondContact CA-OE2 3.19Å; L327-E331 HydrophobicContact CB-CB 4.46Å; L327-L335 HydrophobicContact CD2-CD1 3.57Å; L327-R436 HydrophobicContact CD1-CG 3.77Å; L327-R436 HydrophobicContact CG-CG 4.07Å | ||
| 328 | N | 89.4 | Confident | 90.4 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | trans | -77.4 | 162.5 | 171.6 | 68.5 | 62.7 | 0 | 0 | 0 | 110.7 | T330 E331 K332 | N328-T330 PolarHBondContact O-N 2.87Å; N328-T330 WeakPolarHBondContact OD1-CA 3.07Å; N328-T330 WeakPolarHBondContact OD1-CB 3.36Å; N328-T330 PolarHBondContact OD1-N 3.25Å; N328-E331 PolarHBondContact N-OE2 3.43Å; N328-E331 PolarHBondContact ND2-OE2 3.38Å; N328-E331 PolarHBondContact O-N 3.42Å; N328-E331 PolarHBondContact OD1-N 2.75Å; N328-K332 WeakPolarHBondContact O-CB 3.23Å; N328-K332 PolarHBondContact O-N 3.48Å | ||
| 329 | D | 89.6 | Confident | 90.5 | Very high | 97 Ų | 97 | 44.5 Ų | 44.5 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.2 | -18.7 | -176.3 | -74.3 | -69.3 | 0 | 0 | 0 | 113.3 | K332 L333 | D329-K332 IonicContact OD1-NZ 2.82Å; D329-K332 PolarHBondContact OD1-NZ 3.43Å; D329-L333 WeakPolarHBondContact O-CB 3.35Å; D329-L333 PolarHBondContact O-N 3.11Å |
| 330 | T | 90.5 | Very high | 90.7 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -73.2 | -52.7 | 170.7 | -44.3 | 0 | 0 | 0 | 0 | 111.4 | N328 K332 L333 D334 | N328-T330 PolarHBondContact O-N 2.87Å; N328-T330 WeakPolarHBondContact OD1-CA 3.07Å; N328-T330 WeakPolarHBondContact OD1-CB 3.36Å; N328-T330 PolarHBondContact OD1-N 3.25Å; T330-K332 PolarHBondContact O-N 3.25Å; T330-L333 CarbonylContact O-C 3.52Å; T330-L333 WeakPolarHBondContact O-CA 3.18Å; T330-L333 WeakPolarHBondContact O-CB 3.44Å; T330-L333 PolarHBondContact O-N 3.45Å; T330-D334 VanDerWaalsContact O-CG 3.29Å; T330-D334 PolarHBondContact O-N 2.72Å |
| 331 | E | 90.3 | Very high | 91 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 19% | 0.192 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.8 | -39.9 | 175 | -73.1 | 171.6 | 118.8 | 0 | 0 | 111.2 | L327 N328 D334 L335 R436 | L327-E331 WeakPolarHBondContact CA-OE2 3.19Å; L327-E331 HydrophobicContact CB-CB 4.46Å; N328-E331 PolarHBondContact N-OE2 3.43Å; N328-E331 PolarHBondContact ND2-OE2 3.38Å; N328-E331 PolarHBondContact O-N 3.42Å; N328-E331 PolarHBondContact OD1-N 2.75Å; E331-D334 WeakPolarHBondContact O-CB 3.44Å; E331-D334 PolarHBondContact O-N 3.09Å; E331-L335 WeakPolarHBondContact O-CG 3.32Å; E331-L335 PolarHBondContact O-N 3.41Å; E331-R436 VanDerWaalsContact CD-NH2 3.3Å; E331-R436 IonicContact OE1-CZ 3.3Å; E331-R436 IonicContact OE1-NE 2.71Å; E331-R436 PolarHBondContact OE1-NE 3.13Å; E331-R436 IonicContact OE1-NH2 3.24Å; E331-R436 PolarHBondContact OE1-NH2 3.49Å; E331-R436 IonicContact OE2-CZ 3.41Å; E331-R436 IonicContact OE2-NE 2.68Å; E331-R436 IonicContact OE2-NH2 3.03Å; E331-R436 PolarHBondContact OE2-NH2 3.46Å |
| 332 | K | 91.8 | Very high | 91.3 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 19% | 0.191 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 175.3 | 169.3 | 177.3 | 153.7 | -154.4 | 0 | 112.5 | M322 N328 D329 T330 F336 | M322-K332 HydrophobicContact SD-CB 4.47Å; M322-K332 HydrophobicContact SD-CD 4.15Å; M322-K332 HydrophobicContact SD-CG 3.88Å; N328-K332 WeakPolarHBondContact O-CB 3.23Å; N328-K332 PolarHBondContact O-N 3.48Å; D329-K332 IonicContact OD1-NZ 2.82Å; D329-K332 PolarHBondContact OD1-NZ 3.43Å; T330-K332 PolarHBondContact O-N 3.25Å; K332-F336 HydrophobicContact CD-CE2 4.43Å; K332-F336 HydrophobicContact CG-CD2 4.29Å; K332-F336 HydrophobicContact CG-CE2 3.7Å; K332-F336 HydrophobicContact CG-CZ 3.98Å; K332-F336 WeakPolarHBondContact O-CD2 3.28Å; K332-F336 VanDerWaalsContact O-CG 3.32Å; K332-F336 WeakPolarHBondContact O-CG 3.46Å; K332-F336 PolarHBondContact O-N 2.91Å; K332-F336 VanDerWaalsContact O-N 3.15Å |
| 333 | L | 92.8 | Very high | 91.5 | Very high | 66 Ų | 66 | 39.2 Ų | 39.2 | 35% | 0.346 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.7 | -38.8 | 173.3 | -178.4 | 60.8 | 0 | 0 | 0 | 111.6 | L257 L261 D329 T330 F336 R337 | L257-L333 HydrophobicContact CD1-CD1 3.59Å; L261-L333 HydrophobicContact CD2-CD1 4.49Å; D329-L333 WeakPolarHBondContact O-CB 3.35Å; D329-L333 PolarHBondContact O-N 3.11Å; T330-L333 CarbonylContact O-C 3.52Å; T330-L333 WeakPolarHBondContact O-CA 3.18Å; T330-L333 WeakPolarHBondContact O-CB 3.44Å; T330-L333 PolarHBondContact O-N 3.45Å; L333-F336 PolarHBondContact O-N 3.13Å; L333-R337 VanDerWaalsContact O-CB 3.3Å; L333-R337 WeakPolarHBondContact O-CB 3.28Å; L333-R337 PolarHBondContact O-N 2.78Å |
| 334 | D | 93.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 174.5 | -64.7 | -41 | 0 | 0 | 0 | 111.3 | T330 E331 F336 R337 V338 F614 | T330-D334 VanDerWaalsContact O-CG 3.29Å; T330-D334 PolarHBondContact O-N 2.72Å; E331-D334 WeakPolarHBondContact O-CB 3.44Å; E331-D334 PolarHBondContact O-N 3.09Å; D334-F336 PolarHBondContact O-N 3.42Å; D334-R337 PolarHBondContact O-N 2.71Å; D334-R337 IonicContact OD1-CZ 2.7Å; D334-R337 IonicContact OD1-NH1 2.76Å; D334-R337 PolarHBondContact OD1-NH1 2.8Å; D334-R337 IonicContact OD1-NH2 2.63Å; D334-R337 PolarHBondContact OD1-NH2 2.96Å; D334-V338 WeakPolarHBondContact O-CG2 3.44Å; D334-V338 PolarHBondContact O-N 2.9Å; D334-F614 HydrophobicContact CB-CB 4.09Å; D334-F614 HydrophobicContact CB-CD1 3.79Å; D334-F614 HydrophobicContact CB-CD2 4.06Å; D334-F614 HydrophobicContact CB-CE1 4.21Å; D334-F614 HydrophobicContact CB-CE2 4.46Å; D334-F614 HydrophobicContact CB-CG 3.71Å |
| 335 | L | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.1 | -49.3 | 173.4 | -72.1 | 178.9 | 0 | 0 | 0 | 111.7 | M322 L327 E331 R337 V338 V339 L429 V433 F614 | M322-L335 HydrophobicContact CE-CD1 3.96Å; L327-L335 HydrophobicContact CD2-CD1 3.57Å; E331-L335 WeakPolarHBondContact O-CG 3.32Å; E331-L335 PolarHBondContact O-N 3.41Å; L335-R337 VanDerWaalsContact C-N 3.35Å; L335-R337 PolarHBondContact O-N 3.44Å; L335-V338 PolarHBondContact O-N 2.92Å; L335-V339 WeakPolarHBondContact O-CG2 3.42Å; L335-V339 PolarHBondContact O-N 3.04Å; L335-V339 VanDerWaalsContact O-N 3.12Å; L335-L429 HydrophobicContact CD2-CD1 3.57Å; L335-L429 HydrophobicContact CD2-CG 4.24Å; L335-V433 HydrophobicContact CD1-CG2 4.32Å; L335-V433 HydrophobicContact CD2-CG2 3.77Å; L335-F614 HydrophobicContact CD2-CE1 4.47Å; L335-F614 HydrophobicContact CD2-CZ 3.85Å |
| 336 | F | 95.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -33.4 | 179.5 | -61 | -25.8 | 0 | 0 | 0 | 112.9 | I245 L249 L257 L261 F315 M318 M322 K332 L333 D334 V339 A340 | I245-F336 HydrophobicContact CD1-CE1 4.31Å; L249-F336 HydrophobicContact CD1-CB 4.18Å; L249-F336 HydrophobicContact CD1-CD1 4.02Å; L249-F336 HydrophobicContact CD1-CD2 4.19Å; L249-F336 HydrophobicContact CD1-CE1 4.44Å; L249-F336 HydrophobicContact CD1-CG 3.89Å; L249-F336 HydrophobicContact CD2-CB 4.44Å; L257-F336 HydrophobicContact CD2-CD2 3.91Å; L257-F336 HydrophobicContact CD2-CE2 4.17Å; L261-F336 HydrophobicContact CD1-CB 3.73Å; F315-F336 HydrophobicContact CE2-CE1 4.12Å; F315-F336 HydrophobicContact CE2-CE2 4.16Å; F315-F336 AromaticContact CE2-CZ 3.7Å; F315-F336 HydrophobicContact CE2-CZ 3.7Å; F315-F336 AromaticContact CZ-CE2 3.9Å; F315-F336 HydrophobicContact CZ-CE2 3.9Å; F315-F336 AromaticContact CZ-CZ 3.86Å; F315-F336 HydrophobicContact CZ-CZ 3.86Å; M318-F336 HydrophobicContact CE-CE1 3.63Å; M318-F336 HydrophobicContact CE-CZ 3.78Å; M322-F336 HydrophobicContact CE-CE1 3.82Å; M322-F336 HydrophobicContact CE-CZ 4.23Å; M322-F336 HydrophobicContact SD-CE1 4.3Å; M322-F336 HydrophobicContact SD-CZ 4.1Å; K332-F336 HydrophobicContact CD-CE2 4.43Å; K332-F336 HydrophobicContact CG-CD2 4.29Å; K332-F336 HydrophobicContact CG-CE2 3.7Å; K332-F336 HydrophobicContact CG-CZ 3.98Å; K332-F336 WeakPolarHBondContact O-CD2 3.28Å; K332-F336 VanDerWaalsContact O-CG 3.32Å; K332-F336 WeakPolarHBondContact O-CG 3.46Å; K332-F336 PolarHBondContact O-N 2.91Å; K332-F336 VanDerWaalsContact O-N 3.15Å; L333-F336 PolarHBondContact O-N 3.13Å; D334-F336 PolarHBondContact O-N 3.42Å; F336-V339 PolarHBondContact O-N 3.13Å; F336-A340 WeakPolarHBondContact O-CB 3.47Å; F336-A340 PolarHBondContact O-N 2.97Å |
| 337 | R | 95.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 26.1 Ų | 26.1 | 15% | 0.151 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.2 | -169.7 | -178.1 | 58.9 | -104.6 | -3.4 | 111.3 | L261 L333 D334 L335 A340 G341 L376 D612 | L261-R337 HydrophobicContact CD2-CB 4.18Å; L333-R337 VanDerWaalsContact O-CB 3.3Å; L333-R337 WeakPolarHBondContact O-CB 3.28Å; L333-R337 PolarHBondContact O-N 2.78Å; D334-R337 PolarHBondContact O-N 2.71Å; D334-R337 IonicContact OD1-CZ 2.7Å; D334-R337 IonicContact OD1-NH1 2.76Å; D334-R337 PolarHBondContact OD1-NH1 2.8Å; D334-R337 IonicContact OD1-NH2 2.63Å; D334-R337 PolarHBondContact OD1-NH2 2.96Å; L335-R337 VanDerWaalsContact C-N 3.35Å; L335-R337 PolarHBondContact O-N 3.44Å; R337-A340 PolarHBondContact O-N 3.46Å; R337-G341 PolarHBondContact O-N 3.48Å; R337-L376 WeakPolarHBondContact CD-O 3.21Å; R337-L376 HydrophobicContact CG-CB 3.99Å; R337-L376 HydrophobicContact CG-CD2 3.73Å; R337-L376 HydrophobicContact CG-CG 4.49Å; R337-L376 WeakPolarHBondContact CG-O 3.42Å; R337-L376 PolarHBondContact NE-O 2.95Å; R337-L376 VanDerWaalsContact NE-O 3.16Å; R337-D612 IonicContact CZ-OD1 3.23Å; R337-D612 IonicContact NH2-OD1 2.76Å; R337-D612 PolarHBondContact NH2-OD1 3.24Å; R337-D612 IonicContact NH2-OD2 3.55Å; R337-D612 PolarHBondContact NH2-OD2 2.97Å |
| 338 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | D334 L335 G341 V342 L377 V425 L429 F614 V615 L618 | D334-V338 WeakPolarHBondContact O-CG2 3.44Å; D334-V338 PolarHBondContact O-N 2.9Å; L335-V338 PolarHBondContact O-N 2.92Å; V338-G341 PolarHBondContact O-N 3.4Å; V338-V342 WeakPolarHBondContact O-CG2 3.34Å; V338-V342 PolarHBondContact O-N 2.99Å; V338-L377 HydrophobicContact CG1-CD2 4.44Å; V338-V425 HydrophobicContact CG1-CG1 3.34Å; V338-L429 HydrophobicContact CB-CD1 3.99Å; V338-L429 HydrophobicContact CB-CD2 4.12Å; V338-L429 HydrophobicContact CG1-CD1 4.03Å; V338-L429 HydrophobicContact CG1-CD2 3.94Å; V338-L429 HydrophobicContact CG1-CG 4.42Å; V338-L429 HydrophobicContact CG2-CD1 4.44Å; V338-F614 HydrophobicContact CG2-CD1 3.85Å; V338-F614 HydrophobicContact CG2-CE1 3.86Å; V338-V615 HydrophobicContact CG2-CG2 3.86Å; V338-L618 HydrophobicContact CG1-CD1 4.4Å; V338-L618 HydrophobicContact CG2-CD1 4.45Å |
| 339 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | F190 I245 F246 L249 L335 F336 V342 L343 L429 | F190-V339 HydrophobicContact CE1-CG2 3.72Å; F190-V339 HydrophobicContact CZ-CG2 4.25Å; I245-V339 HydrophobicContact CG1-CG1 4.21Å; I245-V339 HydrophobicContact CG1-CG2 4Å; F246-V339 HydrophobicContact CD1-CG1 3.56Å; F246-V339 HydrophobicContact CE1-CG1 3.72Å; L249-V339 HydrophobicContact CD2-CB 4.23Å; L249-V339 HydrophobicContact CD2-CG1 3.74Å; L335-V339 WeakPolarHBondContact O-CG2 3.42Å; L335-V339 PolarHBondContact O-N 3.04Å; L335-V339 VanDerWaalsContact O-N 3.12Å; F336-V339 PolarHBondContact O-N 3.13Å; V339-V342 PolarHBondContact O-N 3.3Å; V339-L343 PolarHBondContact O-N 2.96Å; V339-L429 HydrophobicContact CG2-CD2 3.75Å |
| 340 | A | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L261 L263 F336 R337 V342 L343 H344 L376 | L261-A340 HydrophobicContact CB-CB 3.9Å; L261-A340 HydrophobicContact CD1-CB 4.49Å; L261-A340 HydrophobicContact CD2-CB 4.25Å; L261-A340 HydrophobicContact CG-CB 4.45Å; L263-A340 HydrophobicContact CD2-CB 4.12Å; F336-A340 WeakPolarHBondContact O-CB 3.47Å; F336-A340 PolarHBondContact O-N 2.97Å; R337-A340 PolarHBondContact O-N 3.46Å; A340-V342 VanDerWaalsContact C-N 3.31Å; A340-V342 PolarHBondContact O-N 3.03Å; A340-L343 WeakPolarHBondContact O-CB 3.33Å; A340-L343 PolarHBondContact O-N 3.12Å; A340-L343 VanDerWaalsContact O-N 3.08Å; A340-H344 PolarHBondContact O-CD2 2.93Å; A340-H344 VanDerWaalsContact O-CD2 3.23Å; A340-H344 PolarHBondContact O-N 3.14Å; A340-L376 HydrophobicContact CB-CD1 4Å |
| 341 | G | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.9 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R337 V338 L343 H344 L345 | R337-G341 PolarHBondContact O-N 3.48Å; V338-G341 PolarHBondContact O-N 3.4Å; G341-L343 PolarHBondContact O-N 3.01Å; G341-H344 PolarHBondContact O-N 2.87Å; G341-L345 VanDerWaalsContact O-CB 3.28Å; G341-L345 WeakPolarHBondContact O-CB 3.4Å; G341-L345 PolarHBondContact O-N 2.99Å |
| 342 | V | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 174.1 | 169.2 | 0 | 0 | 0 | 0 | 112.2 | I233 F246 Y271 V338 V339 A340 G346 A422 V425 | I233-V342 HydrophobicContact CG2-CG1 3.91Å; F246-V342 HydrophobicContact CE1-CG1 4.33Å; F246-V342 HydrophobicContact CZ-CG1 4.25Å; Y271-V342 HydrophobicContact CD2-CG1 4.36Å; Y271-V342 VanDerWaalsContact CD2-O 3.28Å; Y271-V342 WeakPolarHBondContact CD2-O 3.44Å; Y271-V342 HydrophobicContact CE2-CG1 4.41Å; Y271-V342 VanDerWaalsContact CE2-O 3.22Å; Y271-V342 WeakPolarHBondContact CE2-O 3.27Å; V338-V342 WeakPolarHBondContact O-CG2 3.34Å; V338-V342 PolarHBondContact O-N 2.99Å; V339-V342 PolarHBondContact O-N 3.3Å; A340-V342 VanDerWaalsContact C-N 3.31Å; A340-V342 PolarHBondContact O-N 3.03Å; V342-G346 PolarHBondContact O-N 3.39Å; V342-A422 HydrophobicContact CG1-CB 4.28Å; V342-V425 HydrophobicContact CG2-CB 4.18Å; V342-V425 HydrophobicContact CG2-CG1 3.76Å |
| 343 | L | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.8 | -47.2 | 175 | -70.7 | 178 | 0 | 0 | 0 | 112.3 | F246 L263 F269 L272 V339 A340 G341 L345 G346 | F246-L343 HydrophobicContact CD1-CD1 3.92Å; F246-L343 HydrophobicContact CD1-CD2 3.54Å; F246-L343 HydrophobicContact CD1-CG 3.65Å; F246-L343 HydrophobicContact CE1-CD2 3.88Å; F246-L343 HydrophobicContact CE1-CG 3.94Å; F246-L343 HydrophobicContact CG-CD2 4.19Å; L263-L343 HydrophobicContact CD2-CD1 4.09Å; F269-L343 HydrophobicContact CB-CD2 4.26Å; F269-L343 HydrophobicContact CD1-CB 3.68Å; F269-L343 HydrophobicContact CD2-CD1 4.28Å; F269-L343 HydrophobicContact CE1-CB 3.87Å; F269-L343 HydrophobicContact CE2-CD1 4.31Å; F269-L343 HydrophobicContact CG-CB 4.13Å; F269-L343 HydrophobicContact CG-CD1 4.43Å; F269-L343 HydrophobicContact CG-CD2 4.38Å; F269-L343 HydrophobicContact CZ-CB 4.48Å; L272-L343 HydrophobicContact CD1-CD1 4.36Å; L272-L343 HydrophobicContact CD1-CD2 3.83Å; L272-L343 HydrophobicContact CD2-CD2 4.2Å; L272-L343 HydrophobicContact CG-CD2 3.84Å; V339-L343 PolarHBondContact O-N 2.96Å; A340-L343 WeakPolarHBondContact O-CB 3.33Å; A340-L343 PolarHBondContact O-N 3.12Å; A340-L343 VanDerWaalsContact O-N 3.08Å; G341-L343 PolarHBondContact O-N 3.01Å; L343-L345 PolarHBondContact O-N 3.35Å; L343-G346 PolarHBondContact O-N 3.06Å |
| 344 | H | 95.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 178.4 | -75.1 | -69.6 | 0 | 0 | 0 | 112.7 | L261 H262 F269 A340 G341 G346 N347 F372 C373 L376 | L261-H344 PolarHBondContact O-NE2 3.39Å; H262-H344 PolarHBondContact O-CE1 3.01Å; H262-H344 PolarHBondContact O-NE2 3.22Å; F269-H344 AromaticContact CE1-CE1 3.86Å; A340-H344 PolarHBondContact O-CD2 2.93Å; A340-H344 VanDerWaalsContact O-CD2 3.23Å; A340-H344 PolarHBondContact O-N 3.14Å; G341-H344 PolarHBondContact O-N 2.87Å; H344-G346 PolarHBondContact O-N 2.85Å; H344-N347 PolarHBondContact O-N 3.27Å; H344-F372 AromaticContact CE1-CD2 3.85Å; H344-F372 AromaticContact ND1-CD2 3.95Å; H344-C373 HydrophobicContact CB-CB 4.13Å; H344-L376 VanDerWaalsContact CD2-CD1 3.47Å; H344-L376 WeakPolarHBondContact CD2-CD1 3.45Å |
| 345 | L | 94.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.8 | -39 | 172.6 | 178.6 | 57.4 | 0 | 0 | 0 | 111.9 | G341 L343 N347 I348 R418 L421 A422 | G341-L345 VanDerWaalsContact O-CB 3.28Å; G341-L345 WeakPolarHBondContact O-CB 3.4Å; G341-L345 PolarHBondContact O-N 2.99Å; L343-L345 PolarHBondContact O-N 3.35Å; L345-N347 PolarHBondContact O-N 3.49Å; L345-I348 HydrophobicContact CD1-CD1 4.07Å; L345-I348 PolarHBondContact O-N 2.94Å; L345-R418 HydrophobicContact CD1-CG 3.78Å; L345-R418 HydrophobicContact CG-CG 4.07Å; L345-R418 VanDerWaalsContact O-CD 3.3Å; L345-R418 WeakPolarHBondContact O-CD 3.37Å; L345-R418 WeakPolarHBondContact O-CG 3.2Å; L345-L421 HydrophobicContact CD1-CD2 4.14Å; L345-L421 HydrophobicContact CD2-CB 4.15Å; L345-L421 HydrophobicContact CD2-CD2 3.81Å; L345-L421 HydrophobicContact CD2-CG 3.78Å; L345-A422 HydrophobicContact CD2-CB 3.89Å |
| 346 | G | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -21.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R270 V342 L343 H344 R418 | R270-G346 VanDerWaalsContact CB-O 3.32Å; R270-G346 WeakPolarHBondContact CB-O 3.47Å; R270-G346 VanDerWaalsContact CD-O 3.24Å; R270-G346 WeakPolarHBondContact CD-O 3.39Å; V342-G346 PolarHBondContact O-N 3.39Å; L343-G346 PolarHBondContact O-N 3.06Å; H344-G346 PolarHBondContact O-N 2.85Å; G346-R418 PolarHBondContact O-NH1 2.81Å |
| 347 | N | 94.4 | Very high | 87.1 | Confident | 35 Ų | 35 | 38 Ų | 38 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.2 | 179 | -71.5 | -5 | 0 | 0 | 0 | 113.9 | N268 F269 R270 H344 L345 D349 S366 T369 | N268-N347 PolarHBondContact O-ND2 2.92Å; F269-N347 WeakPolarHBondContact CA-OD1 3.47Å; R270-N347 PolarHBondContact N-OD1 2.86Å; H344-N347 PolarHBondContact O-N 3.27Å; L345-N347 PolarHBondContact O-N 3.49Å; N347-D349 PolarHBondContact O-N 3.43Å; N347-S366 PolarHBondContact O-OG 3.38Å; N347-S366 VanDerWaalsContact O-OG 3.05Å; N347-T369 HydrophobicContact CB-CG2 3.91Å |
| 348 | I | 94.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -77.3 | 120.4 | 171.9 | -57 | -179 | 0 | 0 | 0 | 108.7 | L345 F350 I362 L370 C373 L388 R418 | L345-I348 HydrophobicContact CD1-CD1 4.07Å; L345-I348 PolarHBondContact O-N 2.94Å; I348-F350 HydrophobicContact CG2-CE1 4.3Å; I348-F350 HydrophobicContact CG2-CZ 4.14Å; I348-I362 HydrophobicContact CG2-CD1 3.84Å; I348-I362 HydrophobicContact CG2-CG1 4.12Å; I348-I362 HydrophobicContact CG2-CG2 3.95Å; I348-L370 HydrophobicContact CD1-CB 4.28Å; I348-L370 HydrophobicContact CD1-CD1 3.79Å; I348-C373 HydrophobicContact CD1-CB 4.37Å; I348-L388 HydrophobicContact CD1-CD1 3.92Å; I348-L388 HydrophobicContact CG2-CD1 4.32Å; I348-R418 VanDerWaalsContact O-CD 3.23Å; I348-R418 WeakPolarHBondContact O-CD 3.49Å; I348-R418 PolarHBondContact O-NH1 2.82Å | ||
| 349 | D | 92.1 | Very high | 85.2 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | trans | -120.7 | 146.1 | -174.1 | -148.7 | 30.3 | 0 | 0 | 0 | 110.1 | R270 N347 K363 S366 | R270-D349 IonicContact CZ-OD1 2.7Å; R270-D349 IonicContact NH1-OD1 3.6Å; R270-D349 PolarHBondContact NH1-OD1 3.45Å; R270-D349 IonicContact NH2-OD1 3.73Å; R270-D349 PolarHBondContact NH2-OD1 3.02Å; R270-D349 IonicContact NH2-OD2 3.63Å; N347-D349 PolarHBondContact O-N 3.43Å; D349-K363 HydrophobicContact CB-CD 4.08Å; D349-K363 HydrophobicContact CB-CG 4.49Å; D349-K363 PolarHBondContact O-N 2.86Å; D349-K363 WeakPolarHBondContact OD2-CE 3.23Å; D349-K363 IonicContact OD2-NZ 2.87Å; D349-K363 PolarHBondContact OD2-NZ 3.41Å; D349-S366 PolarHBondContact N-OG 2.72Å | ||
| 350 | F | 92.4 | Very high | 84.8 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 154.5 | -171.5 | -54.3 | -83.3 | 0 | 0 | 0 | 112.2 | I348 C360 T361 I362 K363 L388 T389 V411 A414 R418 | I348-F350 HydrophobicContact CG2-CE1 4.3Å; I348-F350 HydrophobicContact CG2-CZ 4.14Å; F350-C360 HydrophobicContact CB-CB 4.46Å; F350-T361 CarbonylContact C-O 3.42Å; F350-T361 VanDerWaalsContact CA-O 3.29Å; F350-T361 WeakPolarHBondContact CA-O 3.44Å; F350-I362 HydrophobicContact CD1-CG1 3.85Å; F350-I362 HydrophobicContact CE1-CD1 4.29Å; F350-I362 HydrophobicContact CE1-CG1 3.69Å; F350-K363 VanDerWaalsContact O-CE 3.25Å; F350-K363 WeakPolarHBondContact O-CE 3.28Å; F350-L388 HydrophobicContact CE1-CB 4.07Å; F350-L388 HydrophobicContact CZ-CB 4.12Å; F350-T389 HydrophobicContact CD1-CG2 4.33Å; F350-T389 HydrophobicContact CE1-CG2 4.27Å; F350-V411 HydrophobicContact CB-CG1 4.28Å; F350-V411 HydrophobicContact CB-CG2 4.3Å; F350-A414 HydrophobicContact CD1-CB 3.85Å; F350-A414 HydrophobicContact CD2-CB 3.89Å; F350-A414 HydrophobicContact CE1-CB 3.82Å; F350-A414 VanDerWaalsContact CE2-C 3.47Å; F350-A414 HydrophobicContact CE2-CB 3.86Å; F350-A414 WeakPolarHBondContact CE2-O 2.93Å; F350-A414 HydrophobicContact CG-CB 3.88Å; F350-A414 HydrophobicContact CZ-CB 3.83Å; F350-R418 HydrophobicContact CE2-CB 4.16Å; F350-R418 HydrophobicContact CZ-CB 4.29Å |
| 351 | E | 91 | Very high | 84.5 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.6 | 175.1 | 63.4 | -165.2 | -176.2 | 0 | 0 | 110.1 | C360 T361 K363 | E351-C360 CarbonylContact O-C 3.41Å; E351-C360 WeakPolarHBondContact O-CA 3.12Å; E351-C360 WeakPolarHBondContact O-CB 3.16Å; E351-T361 VanDerWaalsContact CG-OG1 3.26Å; E351-T361 WeakPolarHBondContact CG-OG1 3.49Å; E351-T361 PolarHBondContact N-O 3.26Å; E351-T361 PolarHBondContact O-N 3.39Å; E351-T361 PolarHBondContact OE1-OG1 3.42Å; E351-K363 HydrophobicContact CB-CG 4.03Å; E351-K363 HydrophobicContact CG-CG 4.23Å |
| 352 | E | 87.1 | Confident | 84.2 | Confident | 150 Ų | 150 | 41.9 Ų | 41.9 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.9 | -179.6 | -69.5 | -159.9 | 136.1 | 0 | 0 | 111.7 | G354 V411 | E352-G354 PolarHBondContact O-N 2.88Å; E352-V411 HydrophobicContact CB-CG2 4.45Å; E352-V411 HydrophobicContact CG-CB 4.5Å; E352-V411 HydrophobicContact CG-CG2 3.6Å |
| 353 | T | 78.8 | Confident | 84 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | trans | -75.5 | 113.1 | 175.3 | -41.3 | 0 | 0 | 0 | 0 | 109 | S355 G359 C360 T361 | T353-S355 PolarHBondContact O-N 3.36Å; T353-G359 PolarHBondContact N-O 3Å; T353-G359 VanDerWaalsContact N-O 3.15Å; T353-G359 VanDerWaalsContact OG1-C 3.31Å; T353-C360 VanDerWaalsContact OG1-C 3.25Å; T353-C360 VanDerWaalsContact OG1-CA 3.29Å; T353-C360 WeakPolarHBondContact OG1-CA 3.5Å; T353-C360 PolarHBondContact OG1-N 3.27Å; T353-T361 HydrophobicContact CG2-CG2 4.49Å | ||
| 354 | G | 66.4 | Low | 83.5 | Confident | 91 Ų | 91 | 53 Ų | 53 | 94% | 0.938 | 33% | 0.325 | S | S | * | . | trans | -69.3 | 38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E352 | E352-G354 PolarHBondContact O-N 2.88Š| ||
| 355 | S | 64.2 | Low | 83.1 | Confident | 69 Ų | 69 | 61 Ų | 61 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -118.9 | 147.7 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | T353 S357 G358 | T353-S355 PolarHBondContact O-N 3.36Å; S355-S357 PolarHBondContact O-N 3.48Å; S355-G358 PolarHBondContact O-N 2.92Å |
| 356 | S | 57.1 | Low | 82.9 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 99% | 0.986 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.6 | -175.1 | 51 | 0 | 0 | 0 | 0 | 115.5 | G358 | S356-G358 VanDerWaalsContact C-N 3.34Š|
| 357 | S | 59.9 | Low | 82.7 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 70% | 0.699 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -18.8 | 170.8 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | S355 | S355-S357 PolarHBondContact O-N 3.48Š|
| 358 | G | 68.9 | Low | 82.5 | Confident | 35 Ų | 35 | 67 Ų | 67 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | trans | 67.6 | 168.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S355 S356 | S355-G358 PolarHBondContact O-N 2.92Å; S356-G358 VanDerWaalsContact C-N 3.34Å | ||
| 359 | G | 82.2 | Confident | 82.3 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 12% | 0.124 | 40% | 0.399 | C | S | . | . | trans | 141.7 | -166.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T353 L409 | T353-G359 PolarHBondContact N-O 3Å; T353-G359 VanDerWaalsContact N-O 3.15Å; T353-G359 VanDerWaalsContact OG1-C 3.31Å; G359-L409 CarbonylContact C-O 3.57Å; G359-L409 VanDerWaalsContact C-O 3.28Å; G359-L409 WeakPolarHBondContact CA-O 3.39Å | ||
| 360 | C | 87.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.5 | 169.3 | 62 | 0 | 0 | 0 | 0 | 111.6 | F350 E351 T353 L409 V411 A414 | F350-C360 HydrophobicContact CB-CB 4.46Å; E351-C360 CarbonylContact O-C 3.41Å; E351-C360 WeakPolarHBondContact O-CA 3.12Å; E351-C360 WeakPolarHBondContact O-CB 3.16Å; T353-C360 VanDerWaalsContact OG1-C 3.25Å; T353-C360 VanDerWaalsContact OG1-CA 3.29Å; T353-C360 WeakPolarHBondContact OG1-CA 3.5Å; T353-C360 PolarHBondContact OG1-N 3.27Å; C360-L409 PolarHBondContact N-O 2.82Å; C360-L409 VanDerWaalsContact N-O 3.09Å; C360-L409 PolarHBondContact SG-O 2.83Å; C360-V411 HydrophobicContact CB-CB 4.47Å; C360-V411 HydrophobicContact CB-CG2 3.59Å; C360-A414 WeakPolarHBondContact SG-CB 3.48Å |
| 361 | T | 89.4 | Confident | 82.5 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 34% | 0.344 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 160.6 | 169 | 43.8 | 0 | 0 | 0 | 0 | 110.1 | F350 E351 T353 | F350-T361 CarbonylContact C-O 3.42Å; F350-T361 VanDerWaalsContact CA-O 3.29Å; F350-T361 WeakPolarHBondContact CA-O 3.44Å; E351-T361 VanDerWaalsContact CG-OG1 3.26Å; E351-T361 WeakPolarHBondContact CG-OG1 3.49Å; E351-T361 PolarHBondContact N-O 3.26Å; E351-T361 PolarHBondContact O-N 3.39Å; E351-T361 PolarHBondContact OE1-OG1 3.42Å; T353-T361 HydrophobicContact CG2-CG2 4.49Å |
| 362 | I | 90.3 | Very high | 82.6 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 5% | 0.051 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.2 | 169.3 | -65.1 | -180 | 0 | 0 | 0 | 107.9 | I348 F350 L370 R385 L388 T389 | I348-I362 HydrophobicContact CG2-CD1 3.84Å; I348-I362 HydrophobicContact CG2-CG1 4.12Å; I348-I362 HydrophobicContact CG2-CG2 3.95Å; F350-I362 HydrophobicContact CD1-CG1 3.85Å; F350-I362 HydrophobicContact CE1-CD1 4.29Å; F350-I362 HydrophobicContact CE1-CG1 3.69Å; I362-L370 HydrophobicContact CD1-CD1 4.07Å; I362-L370 HydrophobicContact CD1-CD2 4.14Å; I362-R385 HydrophobicContact CD1-CB 4.39Å; I362-R385 HydrophobicContact CD1-CG 4.1Å; I362-L388 HydrophobicContact CD1-CD1 4.37Å; I362-T389 HydrophobicContact CG1-CG2 4.11Å |
| 363 | K | 89.9 | Confident | 83 | Confident | 61 Ų | 61 | 62 Ų | 62 | 27% | 0.265 | 37% | 0.367 | S | S | . | . | trans | -61 | 139.5 | 176.7 | -65.8 | -172.5 | -174.1 | 169 | 0 | 110.5 | D349 F350 E351 Q365 S366 | D349-K363 HydrophobicContact CB-CD 4.08Å; D349-K363 HydrophobicContact CB-CG 4.49Å; D349-K363 PolarHBondContact O-N 2.86Å; D349-K363 WeakPolarHBondContact OD2-CE 3.23Å; D349-K363 IonicContact OD2-NZ 2.87Å; D349-K363 PolarHBondContact OD2-NZ 3.41Å; F350-K363 VanDerWaalsContact O-CE 3.25Å; F350-K363 WeakPolarHBondContact O-CE 3.28Å; E351-K363 HydrophobicContact CB-CG 4.03Å; E351-K363 HydrophobicContact CG-CG 4.23Å; K363-Q365 PolarHBondContact O-N 2.88Å; K363-S366 WeakPolarHBondContact O-CA 3.27Å; K363-S366 WeakPolarHBondContact O-CB 3.47Å; K363-S366 PolarHBondContact O-N 3.46Å | ||
| 364 | K | 85.1 | Confident | 83.7 | Confident | 174 Ų | 174 | 60.2 Ų | 60.2 | 76% | 0.757 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -54 | -31.4 | 177.3 | -63 | -179.1 | -179.2 | 178.6 | 0 | 114 | S366 D367 | K364-S366 PolarHBondContact O-N 3.21Å; K364-D367 WeakPolarHBondContact CA-OD2 3.36Å; K364-D367 WeakPolarHBondContact O-CB 3.06Å; K364-D367 PolarHBondContact O-N 2.87Å |
| 365 | Q | 87.1 | Confident | 85 | Confident | 173 Ų | 173 | 61.5 Ų | 61.5 | 81% | 0.808 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -64.2 | -26.1 | 175.7 | -67.7 | 173.9 | -12.8 | 0 | 0 | 113 | K363 | K363-Q365 PolarHBondContact O-N 2.88Š|
| 366 | S | 89.5 | Confident | 86.5 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -90.3 | 0.3 | 177.3 | -63.7 | 0 | 0 | 0 | 0 | 113.9 | N347 D349 K363 K364 Q368 T369 L370 | N347-S366 PolarHBondContact O-OG 3.38Å; N347-S366 VanDerWaalsContact O-OG 3.05Å; D349-S366 PolarHBondContact N-OG 2.72Å; K363-S366 WeakPolarHBondContact O-CA 3.27Å; K363-S366 WeakPolarHBondContact O-CB 3.47Å; K363-S366 PolarHBondContact O-N 3.46Å; K364-S366 PolarHBondContact O-N 3.21Å; S366-Q368 VanDerWaalsContact C-N 3.26Å; S366-Q368 PolarHBondContact O-N 3.03Å; S366-T369 WeakPolarHBondContact CA-OG1 3.35Å; S366-T369 PolarHBondContact O-N 3.1Å; S366-T369 PolarHBondContact O-OG1 3.41Å; S366-T369 VanDerWaalsContact O-OG1 3.05Å; S366-L370 VanDerWaalsContact O-CB 3.24Å; S366-L370 WeakPolarHBondContact O-CB 3.36Å; S366-L370 PolarHBondContact O-N 3.39Å |
| 367 | D | 88.6 | Confident | 88.2 | Confident | 50 Ų | 50 | 52 Ų | 52 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 178.9 | -80.7 | -44.4 | 0 | 0 | 0 | 112.2 | K364 K371 Q381 R385 | K364-D367 WeakPolarHBondContact CA-OD2 3.36Å; K364-D367 WeakPolarHBondContact O-CB 3.06Å; K364-D367 PolarHBondContact O-N 2.87Å; D367-K371 PolarHBondContact O-N 3.33Å; D367-Q381 PolarHBondContact O-NE2 2.72Å; D367-R385 IonicContact OD1-CZ 2.86Å; D367-R385 VanDerWaalsContact OD1-CZ 3.23Å; D367-R385 IonicContact OD1-NH1 4Å; D367-R385 PolarHBondContact OD1-NH1 3.32Å; D367-R385 IonicContact OD1-NH2 2.65Å; D367-R385 PolarHBondContact OD1-NH2 2.99Å |
| 368 | Q | 90.9 | Very high | 89.8 | Confident | 107 Ų | 107 | 47.9 Ų | 47.9 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.6 | -41.7 | 177.3 | -170.7 | 64.7 | 44 | 0 | 0 | 112.2 | S366 K371 F372 | S366-Q368 VanDerWaalsContact C-N 3.26Å; S366-Q368 PolarHBondContact O-N 3.03Å; Q368-K371 PolarHBondContact O-N 2.89Å; Q368-F372 HydrophobicContact CG-CD2 4.38Å; Q368-F372 HydrophobicContact CG-CE2 3.79Å; Q368-F372 HydrophobicContact CG-CZ 3.91Å; Q368-F372 WeakPolarHBondContact O-CD2 3.47Å; Q368-F372 WeakPolarHBondContact O-CG 3.41Å; Q368-F372 PolarHBondContact O-N 2.9Å |
| 369 | T | 91.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.6 | -31.7 | 177.2 | 50 | 0 | 0 | 0 | 0 | 112.1 | N347 S366 F372 C373 | N347-T369 HydrophobicContact CB-CG2 3.91Å; S366-T369 WeakPolarHBondContact CA-OG1 3.35Å; S366-T369 PolarHBondContact O-N 3.1Å; S366-T369 PolarHBondContact O-OG1 3.41Å; S366-T369 VanDerWaalsContact O-OG1 3.05Å; T369-F372 PolarHBondContact O-N 3.32Å; T369-C373 WeakPolarHBondContact O-CB 3.33Å; T369-C373 PolarHBondContact O-N 3.42Å |
| 370 | L | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 168.1 | 175.8 | 71.4 | 0 | 0 | 0 | 110.9 | I348 I362 S366 C373 A374 Q381 L384 R385 | I348-L370 HydrophobicContact CD1-CB 4.28Å; I348-L370 HydrophobicContact CD1-CD1 3.79Å; I362-L370 HydrophobicContact CD1-CD1 4.07Å; I362-L370 HydrophobicContact CD1-CD2 4.14Å; S366-L370 VanDerWaalsContact O-CB 3.24Å; S366-L370 WeakPolarHBondContact O-CB 3.36Å; S366-L370 PolarHBondContact O-N 3.39Å; L370-C373 PolarHBondContact O-N 2.86Å; L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.49Å; L370-Q381 HydrophobicContact CD2-CG 3.98Å; L370-Q381 HydrophobicContact CG-CG 3.98Å; L370-L384 HydrophobicContact CD1-CB 4.3Å; L370-L384 HydrophobicContact CD1-CD2 3.72Å; L370-L384 HydrophobicContact CD1-CG 3.78Å; L370-R385 HydrophobicContact CD2-CB 4.16Å; L370-R385 HydrophobicContact CD2-CG 4.47Å |
| 371 | K | 93.9 | Very high | 91.7 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -51.6 | 175.3 | -175.9 | 180 | 174.4 | -178.7 | 0 | 111.7 | D367 Q368 C373 A374 E375 | D367-K371 PolarHBondContact O-N 3.33Å; Q368-K371 PolarHBondContact O-N 2.89Å; K371-C373 VanDerWaalsContact C-N 3.3Å; K371-C373 PolarHBondContact O-N 2.88Å; K371-A374 PolarHBondContact O-N 3.2Å; K371-E375 WeakPolarHBondContact O-CB 3.48Å; K371-E375 PolarHBondContact O-N 3.48Å |
| 372 | F | 94.4 | Very high | 91.7 | Very high | 47 Ų | 47 | 53.6 Ų | 53.6 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 177.5 | -63.8 | -30.5 | 0 | 0 | 0 | 112.1 | H262 H344 Q368 T369 L376 | H262-F372 HydrophobicContact CB-CD1 4.29Å; H262-F372 HydrophobicContact CB-CD2 4.06Å; H262-F372 HydrophobicContact CB-CE1 4.38Å; H262-F372 HydrophobicContact CB-CE2 4.18Å; H262-F372 HydrophobicContact CB-CG 4.11Å; H262-F372 HydrophobicContact CB-CZ 4.33Å; H262-F372 AromaticContact CD2-CD1 3.11Å; H262-F372 WeakPolarHBondContact CD2-CD1 3.34Å; H262-F372 AromaticContact CD2-CE1 3.58Å; H262-F372 AromaticContact CD2-CG 3.53Å; H262-F372 AromaticContact CE1-CE1 3.94Å; H262-F372 AromaticContact CG-CD1 3.66Å; H262-F372 AromaticContact CG-CE1 3.72Å; H262-F372 AromaticContact CG-CG 3.96Å; H262-F372 AromaticContact ND1-CE1 3.95Å; H262-F372 AromaticContact NE2-CD1 3.46Å; H262-F372 WeakPolarHBondContact NE2-CD1 3.34Å; H262-F372 AromaticContact NE2-CE1 3.71Å; H344-F372 AromaticContact CE1-CD2 3.85Å; H344-F372 AromaticContact ND1-CD2 3.95Å; Q368-F372 HydrophobicContact CG-CD2 4.38Å; Q368-F372 HydrophobicContact CG-CE2 3.79Å; Q368-F372 HydrophobicContact CG-CZ 3.91Å; Q368-F372 WeakPolarHBondContact O-CD2 3.47Å; Q368-F372 WeakPolarHBondContact O-CG 3.41Å; Q368-F372 PolarHBondContact O-N 2.9Å; T369-F372 PolarHBondContact O-N 3.32Å; F372-L376 WeakPolarHBondContact O-CB 3.08Å; F372-L376 WeakPolarHBondContact O-CD1 3.42Å; F372-L376 WeakPolarHBondContact O-CG 3.31Å; F372-L376 PolarHBondContact O-N 2.97Å |
| 373 | C | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | H344 I348 T369 L370 K371 L377 | H344-C373 HydrophobicContact CB-CB 4.13Å; I348-C373 HydrophobicContact CD1-CB 4.37Å; T369-C373 WeakPolarHBondContact O-CB 3.33Å; T369-C373 PolarHBondContact O-N 3.42Å; L370-C373 PolarHBondContact O-N 2.86Å; K371-C373 VanDerWaalsContact C-N 3.3Å; K371-C373 PolarHBondContact O-N 2.88Å; C373-L377 WeakPolarHBondContact O-CB 3.39Å; C373-L377 WeakPolarHBondContact O-CG 3.44Å; C373-L377 PolarHBondContact O-N 3.13Å; C373-L377 VanDerWaalsContact O-N 3.09Å |
| 374 | A | 93.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L370 K371 L377 G378 L379 Q381 L384 | L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.49Å; K371-A374 PolarHBondContact O-N 3.2Å; A374-L377 PolarHBondContact O-N 2.89Å; A374-G378 CarbonylContact O-C 3.57Å; A374-G378 PolarHBondContact O-N 3.46Å; A374-L379 PolarHBondContact O-N 2.73Å; A374-Q381 HydrophobicContact CB-CB 4.29Å; A374-L384 HydrophobicContact CB-CD2 4.15Å |
| 375 | E | 94.6 | Very high | 92 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 55% | 0.547 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 178.3 | -171.2 | 167.4 | 164.3 | 0 | 0 | 112 | K371 G378 | K371-E375 WeakPolarHBondContact O-CB 3.48Å; K371-E375 PolarHBondContact O-N 3.48Å; E375-G378 PolarHBondContact O-N 3.34Å |
| 376 | L | 94.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.9 | -33.7 | 180 | -65.2 | 168 | 0 | 0 | 0 | 113.1 | L261 R337 A340 H344 F372 | L261-L376 HydrophobicContact CD2-CD2 4.09Å; R337-L376 WeakPolarHBondContact CD-O 3.21Å; R337-L376 HydrophobicContact CG-CB 3.99Å; R337-L376 HydrophobicContact CG-CD2 3.73Å; R337-L376 HydrophobicContact CG-CG 4.49Å; R337-L376 WeakPolarHBondContact CG-O 3.42Å; R337-L376 PolarHBondContact NE-O 2.95Å; R337-L376 VanDerWaalsContact NE-O 3.16Å; A340-L376 HydrophobicContact CB-CD1 4Å; H344-L376 VanDerWaalsContact CD2-CD1 3.47Å; H344-L376 WeakPolarHBondContact CD2-CD1 3.45Å; F372-L376 WeakPolarHBondContact O-CB 3.08Å; F372-L376 WeakPolarHBondContact O-CD1 3.42Å; F372-L376 WeakPolarHBondContact O-CG 3.31Å; F372-L376 PolarHBondContact O-N 2.97Å |
| 377 | L | 93.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -91.9 | 1.7 | 178.7 | -61.6 | -179.3 | 0 | 0 | 0 | 113.9 | V338 C373 A374 L379 S610 V615 | V338-L377 HydrophobicContact CG1-CD2 4.44Å; C373-L377 WeakPolarHBondContact O-CB 3.39Å; C373-L377 WeakPolarHBondContact O-CG 3.44Å; C373-L377 PolarHBondContact O-N 3.13Å; C373-L377 VanDerWaalsContact O-N 3.09Å; A374-L377 PolarHBondContact O-N 2.89Å; L377-L379 HydrophobicContact CB-CD1 4Å; L377-L379 HydrophobicContact CB-CG 3.83Å; L377-L379 HydrophobicContact CD1-CD1 4.35Å; L377-L379 PolarHBondContact O-N 3.25Å; L377-S610 PolarHBondContact O-OG 3.24Å; L377-V615 HydrophobicContact CD2-CG2 4.42Å |
| 378 | G | 93.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 18.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A374 E375 S610 K611 | A374-G378 CarbonylContact O-C 3.57Å; A374-G378 PolarHBondContact O-N 3.46Å; E375-G378 PolarHBondContact O-N 3.34Å; G378-S610 WeakPolarHBondContact CA-OG 3.3Å; G378-S610 PolarHBondContact O-OG 3.01Å; G378-K611 WeakPolarHBondContact O-CB 3.17Å; G378-K611 PolarHBondContact O-N 3.19Å |
| 379 | L | 93.3 | Very high | 92 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | trans | -87.7 | 165.5 | -176 | -54.2 | -177.8 | 0 | 0 | 0 | 111.3 | A374 L377 L384 L606 | A374-L379 PolarHBondContact O-N 2.73Å; L377-L379 HydrophobicContact CB-CD1 4Å; L377-L379 HydrophobicContact CB-CG 3.83Å; L377-L379 HydrophobicContact CD1-CD1 4.35Å; L377-L379 PolarHBondContact O-N 3.25Å; L379-L384 HydrophobicContact CD1-CD1 4.04Å; L379-L384 HydrophobicContact CD1-CD2 4.34Å; L379-L606 HydrophobicContact CD1-CD2 4.3Å; L379-L606 HydrophobicContact CD1-CG 4.31Å; L379-L606 HydrophobicContact CD2-CD1 4.5Å; L379-L606 HydrophobicContact CD2-CG 4.25Å; L379-L606 WeakPolarHBondContact CD2-O 3.41Å | ||
| 380 | D | 93.3 | Very high | 91.8 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | trans | -83.5 | 142.9 | 165.6 | -149.6 | -76.5 | 0 | 0 | 0 | 111.6 | D382 D383 L384 K611 | D380-D382 PolarHBondContact OD1-N 3.19Å; D380-D383 HydrophobicContact CB-CB 4.29Å; D380-L384 WeakPolarHBondContact O-CB 3.4Å; D380-L384 PolarHBondContact O-N 3.05Å; D380-K611 IonicContact OD2-NZ 3.57Å; D380-K611 PolarHBondContact OD2-NZ 3.27Å | ||
| 381 | Q | 92.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.1 | -39.6 | -172.5 | -171.1 | 177.1 | -8.6 | 0 | 0 | 111.4 | D367 L370 A374 R385 | D367-Q381 PolarHBondContact O-NE2 2.72Å; L370-Q381 HydrophobicContact CD2-CG 3.98Å; L370-Q381 HydrophobicContact CG-CG 3.98Å; A374-Q381 HydrophobicContact CB-CB 4.29Å; Q381-R385 WeakPolarHBondContact O-CB 3.45Å; Q381-R385 PolarHBondContact O-N 3.39Å |
| 382 | D | 90.1 | Very high | 90.5 | Very high | 96 Ų | 96 | 37.6 Ų | 37.6 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -83.9 | -33.5 | -176.9 | -74.8 | -37.9 | 0 | 0 | 0 | 112.6 | D380 L384 R385 V386 | D380-D382 PolarHBondContact OD1-N 3.19Å; D382-L384 VanDerWaalsContact C-N 3.31Å; D382-L384 PolarHBondContact O-N 2.67Å; D382-R385 WeakPolarHBondContact O-CB 3.4Å; D382-R385 PolarHBondContact O-N 2.9Å; D382-R385 IonicContact OD1-NE 3.35Å; D382-R385 PolarHBondContact OD1-NE 2.92Å; D382-V386 WeakPolarHBondContact O-CB 3.45Å; D382-V386 WeakPolarHBondContact O-CG2 3.46Å; D382-V386 PolarHBondContact O-N 2.81Å |
| 383 | D | 89.8 | Confident | 89.2 | Confident | 83 Ų | 83 | 38.3 Ų | 38.3 | 44% | 0.444 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.3 | -32.8 | 169.9 | -75.1 | -50.2 | 0 | 0 | 0 | 112.1 | D380 S387 L606 | D380-D383 HydrophobicContact CB-CB 4.29Å; D383-S387 WeakPolarHBondContact O-CB 3.36Å; D383-S387 PolarHBondContact O-N 3.49Å; D383-S387 PolarHBondContact O-OG 2.85Å; D383-L606 HydrophobicContact CB-CD1 3.89Å |
| 384 | L | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.4 | -44.9 | 169.7 | -176.8 | 60 | 0 | 0 | 0 | 111.6 | L370 A374 L379 D380 D382 V386 S387 L388 L606 | L370-L384 HydrophobicContact CD1-CB 4.3Å; L370-L384 HydrophobicContact CD1-CD2 3.72Å; L370-L384 HydrophobicContact CD1-CG 3.78Å; A374-L384 HydrophobicContact CB-CD2 4.15Å; L379-L384 HydrophobicContact CD1-CD1 4.04Å; L379-L384 HydrophobicContact CD1-CD2 4.34Å; D380-L384 WeakPolarHBondContact O-CB 3.4Å; D380-L384 PolarHBondContact O-N 3.05Å; D382-L384 VanDerWaalsContact C-N 3.31Å; D382-L384 PolarHBondContact O-N 2.67Å; L384-V386 VanDerWaalsContact C-N 3.34Å; L384-V386 PolarHBondContact O-N 2.85Å; L384-S387 PolarHBondContact O-N 3.12Å; L384-L388 HydrophobicContact CD1-CD1 3.85Å; L384-L388 HydrophobicContact CD1-CG 3.99Å; L384-L388 HydrophobicContact CG-CD1 4Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 WeakPolarHBondContact O-CG 3.37Å; L384-L388 PolarHBondContact O-N 2.74Å; L384-L606 HydrophobicContact CB-CD2 4.13Å; L384-L606 HydrophobicContact CD1-CD2 3.85Å |
| 385 | R | 91.2 | Very high | 86.1 | Confident | 70 Ų | 70 | 42 Ų | 42 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.8 | -48 | 174.2 | -173.4 | -171.5 | -62.7 | -82.2 | -1.7 | 111.4 | I362 D367 L370 Q381 D382 T389 | I362-R385 HydrophobicContact CD1-CB 4.39Å; I362-R385 HydrophobicContact CD1-CG 4.1Å; D367-R385 IonicContact OD1-CZ 2.86Å; D367-R385 VanDerWaalsContact OD1-CZ 3.23Å; D367-R385 IonicContact OD1-NH1 4Å; D367-R385 PolarHBondContact OD1-NH1 3.32Å; D367-R385 IonicContact OD1-NH2 2.65Å; D367-R385 PolarHBondContact OD1-NH2 2.99Å; L370-R385 HydrophobicContact CD2-CB 4.16Å; L370-R385 HydrophobicContact CD2-CG 4.47Å; Q381-R385 WeakPolarHBondContact O-CB 3.45Å; Q381-R385 PolarHBondContact O-N 3.39Å; D382-R385 WeakPolarHBondContact O-CB 3.4Å; D382-R385 PolarHBondContact O-N 2.9Å; D382-R385 IonicContact OD1-NE 3.35Å; D382-R385 PolarHBondContact OD1-NE 2.92Å; R385-T389 WeakPolarHBondContact O-CG2 3.36Å; R385-T389 PolarHBondContact O-N 3.21Å; R385-T389 PolarHBondContact O-OG1 3.15Å |
| 386 | V | 89.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 42.3 Ų | 42.3 | 28% | 0.279 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -73.8 | -35.5 | -178.2 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | D382 L384 T389 T390 K406 | D382-V386 WeakPolarHBondContact O-CB 3.45Å; D382-V386 WeakPolarHBondContact O-CG2 3.46Å; D382-V386 PolarHBondContact O-N 2.81Å; L384-V386 VanDerWaalsContact C-N 3.34Å; L384-V386 PolarHBondContact O-N 2.85Å; V386-T389 PolarHBondContact O-N 2.9Å; V386-T389 PolarHBondContact O-OG1 3.37Å; V386-T390 HydrophobicContact CG1-CG2 4.49Å; V386-T390 WeakPolarHBondContact O-CB 3.32Å; V386-T390 PolarHBondContact O-N 3.05Å; V386-T390 PolarHBondContact O-OG1 2.69Å; V386-K406 HydrophobicContact CG1-CD 3.91Å |
| 387 | S | 88.4 | Confident | 81.9 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -78.8 | -23.7 | -178.1 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | D383 L384 L603 | D383-S387 WeakPolarHBondContact O-CB 3.36Å; D383-S387 PolarHBondContact O-N 3.49Å; D383-S387 PolarHBondContact O-OG 2.85Å; L384-S387 PolarHBondContact O-N 3.12Å; S387-L603 WeakPolarHBondContact O-CD2 3.41Å |
| 388 | L | 89.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -78.4 | -28.1 | 170.3 | -71.7 | 172.7 | 0 | 0 | 0 | 112.9 | I348 F350 I362 L384 A414 R418 L603 | I348-L388 HydrophobicContact CD1-CD1 3.92Å; I348-L388 HydrophobicContact CG2-CD1 4.32Å; F350-L388 HydrophobicContact CE1-CB 4.07Å; F350-L388 HydrophobicContact CZ-CB 4.12Å; I362-L388 HydrophobicContact CD1-CD1 4.37Å; L384-L388 HydrophobicContact CD1-CD1 3.85Å; L384-L388 HydrophobicContact CD1-CG 3.99Å; L384-L388 HydrophobicContact CG-CD1 4Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 WeakPolarHBondContact O-CG 3.37Å; L384-L388 PolarHBondContact O-N 2.74Å; L388-A414 WeakPolarHBondContact O-CB 3.16Å; L388-R418 HydrophobicContact CD2-CB 4.14Å; L388-L603 HydrophobicContact CD2-CD1 4.49Å; L388-L603 HydrophobicContact CD2-CD2 4.05Å; L388-L603 HydrophobicContact CG-CD2 4.4Å |
| 389 | T | 89.5 | Confident | 78.1 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -99.2 | -15 | -177.7 | 53.2 | 0 | 0 | 0 | 0 | 114 | F350 I362 R385 V386 L409 | F350-T389 HydrophobicContact CD1-CG2 4.33Å; F350-T389 HydrophobicContact CE1-CG2 4.27Å; I362-T389 HydrophobicContact CG1-CG2 4.11Å; R385-T389 WeakPolarHBondContact O-CG2 3.36Å; R385-T389 PolarHBondContact O-N 3.21Å; R385-T389 PolarHBondContact O-OG1 3.15Å; V386-T389 PolarHBondContact O-N 2.9Å; V386-T389 PolarHBondContact O-OG1 3.37Å; T389-L409 PolarHBondContact O-N 3.02Å |
| 390 | T | 85.9 | Confident | 76 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143 | 179.5 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | V386 V407 | V386-T390 HydrophobicContact CG1-CG2 4.49Å; V386-T390 WeakPolarHBondContact O-CB 3.32Å; V386-T390 PolarHBondContact O-N 3.05Å; V386-T390 PolarHBondContact O-OG1 2.69Å; T390-V407 CarbonylContact C-O 3.56Å; T390-V407 WeakPolarHBondContact CA-O 3.39Å |
| 391 | R | 81.6 | Confident | 73.6 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 28% | 0.275 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 137.8 | 168.5 | 64.4 | -178.7 | -172 | -167 | 1.6 | 110.5 | M393 V407 L409 | R391-M393 HydrophobicContact CG-CG 4.46Å; R391-M393 PolarHBondContact NE-SD 2.91Å; R391-V407 HydrophobicContact CG-CB 4Å; R391-V407 PolarHBondContact N-O 2.84Å; R391-V407 PolarHBondContact O-N 2.95Å; R391-L409 HydrophobicContact CB-CD2 3.95Å; R391-L409 HydrophobicContact CG-CD2 3.81Å |
| 392 | V | 78.2 | Confident | 71.9 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 132 | 172.2 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | V404 I405 K406 | V392-V404 HydrophobicContact CG1-CG1 3.49Å; V392-V404 VanDerWaalsContact CG1-CG1 3.49Å; V392-I405 WeakPolarHBondContact CA-O 3.49Å; V392-K406 HydrophobicContact CG2-CG 4.24Å |
| 393 | M | 68.2 | Low | 70.8 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 30% | 0.3 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.9 | 174.2 | -65.4 | -176.2 | 64.5 | 0 | 0 | 111.1 | R391 I405 V407 | R391-M393 HydrophobicContact CG-CG 4.46Å; R391-M393 PolarHBondContact NE-SD 2.91Å; M393-I405 HydrophobicContact CB-CD1 4.48Å; M393-I405 HydrophobicContact CB-CG1 4.03Å; M393-I405 PolarHBondContact N-O 2.96Å; M393-I405 WeakPolarHBondContact O-CG1 3.3Å; M393-I405 PolarHBondContact O-N 3.49Å; M393-V407 HydrophobicContact SD-CG2 4.19Å |
| 394 | L | 65.1 | Low | 69.8 | Low | 52 Ų | 52 | 59.4 Ų | 59.4 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.3 | 173.6 | -68.3 | 165.5 | 0 | 0 | 0 | 109.2 | T396 V404 A632 | L394-T396 PolarHBondContact O-N 3.11Å; L394-V404 HydrophobicContact CD2-CG2 3.8Å; L394-A632 HydrophobicContact CD1-CB 3.94Å |
| 395 | T | 57.3 | Low | 69 | Low | 29 Ų | 29 | 62.8 Ų | 62.8 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | trans | -78.7 | 113.2 | -177.9 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | T403 I405 | T395-T403 PolarHBondContact N-O 3.26Å; T395-T403 PolarHBondContact OG1-O 3.35Å; T395-T403 PolarHBondContact OG1-OG1 2.8Å; T395-I405 HydrophobicContact CG2-CD1 3.72Å; T395-I405 HydrophobicContact CG2-CG1 4.07Å; T395-I405 HydrophobicContact CG2-CG2 4.1Å | ||
| 396 | T | 54.5 | Low | 68.5 | Low | 124 Ų | 124 | 65.3 Ų | 65.3 | 76% | 0.761 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -80.2 | -19 | 175.2 | 31.8 | 0 | 0 | 0 | 0 | 114.2 | L394 | L394-T396 PolarHBondContact O-N 3.11Š|
| 397 | A | 46.6 | Very low | 68.2 | Low | 82 Ų | 82 | 65 Ų | 65 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -151.1 | 163 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 398 | G | 48.4 | Very low | 68.1 | Low | 93 Ų | 93 | 67.4 Ų | 67.4 | 96% | 0.959 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 89.3 | 10.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 399 | G | 56.8 | Low | 67.9 | Low | 47 Ų | 47 | 67.5 Ų | 67.5 | 49% | 0.485 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -170.7 | -171.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K401 | G399-K401 PolarHBondContact O-N 3.35Å; G399-K401 VanDerWaalsContact O-N 3.17Å |
| 400 | A | 49.2 | Very low | 67.7 | Low | 75 Ų | 75 | 72.9 Ų | 72.9 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -60.4 | 118.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G402 T403 | A400-G402 PolarHBondContact O-N 2.86Å; A400-G402 VanDerWaalsContact O-N 3.12Å; A400-T403 HydrophobicContact CB-CG2 4.18Å; A400-T403 PolarHBondContact O-N 3.45Å; A400-T403 PolarHBondContact O-OG1 3.01Å; A400-T403 VanDerWaalsContact O-OG1 3.07Å |
| 401 | K | 44.1 | Very low | 67.7 | Low | 190 Ų | 190 | 73.3 Ų | 73.3 | 83% | 0.826 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 120.4 | -170.6 | -73.9 | -179.4 | 176.3 | 175.9 | 0 | 111 | G399 | G399-K401 PolarHBondContact O-N 3.35Å; G399-K401 VanDerWaalsContact O-N 3.17Å |
| 402 | G | 56.3 | Low | 67.7 | Low | 46 Ų | 46 | 76.8 Ų | 76.8 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | 2.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A400 V404 | A400-G402 PolarHBondContact O-N 2.86Å; A400-G402 VanDerWaalsContact O-N 3.12Å; G402-V404 PolarHBondContact O-N 2.81Å |
| 403 | T | 65.8 | Low | 67.9 | Low | 64 Ų | 64 | 78.3 Ų | 78.3 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | trans | -57.6 | 129.8 | 169.8 | 38.1 | 0 | 0 | 0 | 0 | 111.7 | T395 A400 | T395-T403 PolarHBondContact N-O 3.26Å; T395-T403 PolarHBondContact OG1-O 3.35Å; T395-T403 PolarHBondContact OG1-OG1 2.8Å; A400-T403 HydrophobicContact CB-CG2 4.18Å; A400-T403 PolarHBondContact O-N 3.45Å; A400-T403 PolarHBondContact O-OG1 3.01Å; A400-T403 VanDerWaalsContact O-OG1 3.07Å | ||
| 404 | V | 68.8 | Low | 68.8 | Low | 100 Ų | 100 | 75.4 Ų | 75.4 | 61% | 0.606 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 116.3 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | V392 L394 G402 | V392-V404 HydrophobicContact CG1-CG1 3.49Å; V392-V404 VanDerWaalsContact CG1-CG1 3.49Å; L394-V404 HydrophobicContact CD2-CG2 3.8Å; G402-V404 PolarHBondContact O-N 2.81Å |
| 405 | I | 75.6 | Confident | 69.8 | Low | 72 Ų | 72 | 74.6 Ų | 74.6 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.5 | 176.5 | 60.3 | 169.8 | 0 | 0 | 0 | 110.8 | V392 M393 T395 V407 | V392-I405 WeakPolarHBondContact CA-O 3.49Å; M393-I405 HydrophobicContact CB-CD1 4.48Å; M393-I405 HydrophobicContact CB-CG1 4.03Å; M393-I405 PolarHBondContact N-O 2.96Å; M393-I405 WeakPolarHBondContact O-CG1 3.3Å; M393-I405 PolarHBondContact O-N 3.49Å; T395-I405 HydrophobicContact CG2-CD1 3.72Å; T395-I405 HydrophobicContact CG2-CG1 4.07Å; T395-I405 HydrophobicContact CG2-CG2 4.1Å; I405-V407 HydrophobicContact CD1-CG2 3.93Å; I405-V407 HydrophobicContact CG1-CG2 4.13Å |
| 406 | K | 79.6 | Confident | 71.1 | Confident | 123 Ų | 123 | 75.8 Ų | 75.8 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.2 | 167.3 | -66.2 | -171 | -180 | -173 | 0 | 107.9 | V386 V392 | V386-K406 HydrophobicContact CG1-CD 3.91Å; V392-K406 HydrophobicContact CG2-CG 4.24Å |
| 407 | V | 82.9 | Confident | 72.5 | Confident | 39 Ų | 39 | 70 Ų | 70 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.7 | 179.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | T390 R391 M393 I405 | T390-V407 CarbonylContact C-O 3.56Å; T390-V407 WeakPolarHBondContact CA-O 3.39Å; R391-V407 HydrophobicContact CG-CB 4Å; R391-V407 PolarHBondContact N-O 2.84Å; R391-V407 PolarHBondContact O-N 2.95Å; M393-V407 HydrophobicContact SD-CG2 4.19Å; I405-V407 HydrophobicContact CD1-CG2 3.93Å; I405-V407 HydrophobicContact CG1-CG2 4.13Å |
| 408 | P | 86 | Confident | 74.6 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 143.2 | 176.2 | -25.6 | 34.8 | 0 | 0 | 0 | 112.8 | ||
| 409 | L | 85.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 149.8 | 172.2 | -64.8 | -178.3 | 0 | 0 | 0 | 110.4 | G359 C360 T389 R391 Q413 A414 A417 | G359-L409 CarbonylContact C-O 3.57Å; G359-L409 VanDerWaalsContact C-O 3.28Å; G359-L409 WeakPolarHBondContact CA-O 3.39Å; C360-L409 PolarHBondContact N-O 2.82Å; C360-L409 VanDerWaalsContact N-O 3.09Å; C360-L409 PolarHBondContact SG-O 2.83Å; T389-L409 PolarHBondContact O-N 3.02Å; R391-L409 HydrophobicContact CB-CD2 3.95Å; R391-L409 HydrophobicContact CG-CD2 3.81Å; L409-Q413 HydrophobicContact CB-CB 4.04Å; L409-Q413 HydrophobicContact CD2-CB 4.14Å; L409-A414 HydrophobicContact CB-CB 4.4Å; L409-A417 HydrophobicContact CD1-CB 4.22Å |
| 410 | K | 85.9 | Confident | 78 | Confident | 130 Ų | 130 | 60.1 Ų | 60.1 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 160.7 | 164.2 | -66 | -169 | 173.3 | -165.7 | 0 | 110.9 | E412 Q413 A414 | K410-E412 VanDerWaalsContact C-N 3.31Å; K410-E412 PolarHBondContact O-N 2.91Å; K410-Q413 HydrophobicContact CB-CG 4.29Å; K410-Q413 VanDerWaalsContact N-OE1 3.14Å; K410-Q413 WeakPolarHBondContact O-CA 3.29Å; K410-Q413 WeakPolarHBondContact O-CB 3.43Å; K410-Q413 PolarHBondContact O-N 3.41Å; K410-A414 PolarHBondContact O-N 3.3Å |
| 411 | V | 86.4 | Confident | 79.9 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -50.8 | -46 | 177.7 | 167.4 | 0 | 0 | 0 | 0 | 112.7 | F350 E352 C360 Q413 A414 N415 | F350-V411 HydrophobicContact CB-CG1 4.28Å; F350-V411 HydrophobicContact CB-CG2 4.3Å; E352-V411 HydrophobicContact CB-CG2 4.45Å; E352-V411 HydrophobicContact CG-CB 4.5Å; E352-V411 HydrophobicContact CG-CG2 3.6Å; C360-V411 HydrophobicContact CB-CB 4.47Å; C360-V411 HydrophobicContact CB-CG2 3.59Å; V411-Q413 VanDerWaalsContact C-N 3.33Å; V411-Q413 PolarHBondContact O-N 2.91Å; V411-A414 PolarHBondContact O-N 2.92Å; V411-N415 PolarHBondContact O-N 2.77Å; V411-N415 PolarHBondContact O-ND2 3.43Å |
| 412 | E | 81.6 | Confident | 82.2 | Confident | 145 Ų | 145 | 47.5 Ų | 47.5 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.5 | -39.5 | 176.6 | -61.7 | 178.9 | 143.2 | 0 | 0 | 112.5 | K410 N415 N416 | K410-E412 VanDerWaalsContact C-N 3.31Å; K410-E412 PolarHBondContact O-N 2.91Å; E412-N415 PolarHBondContact O-N 3.13Å; E412-N416 WeakPolarHBondContact O-CB 3.43Å; E412-N416 VanDerWaalsContact O-CG 3.24Å; E412-N416 PolarHBondContact O-N 3.15Å; E412-N416 PolarHBondContact O-ND2 3.22Å |
| 413 | Q | 81.5 | Confident | 83.7 | Confident | 75 Ų | 75 | 46.1 Ų | 46.1 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.6 | -36.3 | -179.8 | -64.5 | 172.8 | -16.3 | 0 | 0 | 111.5 | L409 K410 V411 N416 A417 | L409-Q413 HydrophobicContact CB-CB 4.04Å; L409-Q413 HydrophobicContact CD2-CB 4.14Å; K410-Q413 HydrophobicContact CB-CG 4.29Å; K410-Q413 VanDerWaalsContact N-OE1 3.14Å; K410-Q413 WeakPolarHBondContact O-CA 3.29Å; K410-Q413 WeakPolarHBondContact O-CB 3.43Å; K410-Q413 PolarHBondContact O-N 3.41Å; V411-Q413 VanDerWaalsContact C-N 3.33Å; V411-Q413 PolarHBondContact O-N 2.91Å; Q413-N416 PolarHBondContact O-N 3.04Å; Q413-A417 VanDerWaalsContact O-CB 3.28Å; Q413-A417 WeakPolarHBondContact O-CB 3.45Å; Q413-A417 PolarHBondContact O-N 2.97Å |
| 414 | A | 86.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F350 C360 L388 L409 K410 V411 A417 R418 | F350-A414 HydrophobicContact CD1-CB 3.85Å; F350-A414 HydrophobicContact CD2-CB 3.89Å; F350-A414 HydrophobicContact CE1-CB 3.82Å; F350-A414 VanDerWaalsContact CE2-C 3.47Å; F350-A414 HydrophobicContact CE2-CB 3.86Å; F350-A414 WeakPolarHBondContact CE2-O 2.93Å; F350-A414 HydrophobicContact CG-CB 3.88Å; F350-A414 HydrophobicContact CZ-CB 3.83Å; C360-A414 WeakPolarHBondContact SG-CB 3.48Å; L388-A414 WeakPolarHBondContact O-CB 3.16Å; L409-A414 HydrophobicContact CB-CB 4.4Å; K410-A414 PolarHBondContact O-N 3.3Å; V411-A414 PolarHBondContact O-N 2.92Å; A414-A417 PolarHBondContact O-N 3.31Å; A414-R418 WeakPolarHBondContact O-CB 3.27Å; A414-R418 PolarHBondContact O-N 2.66Å |
| 415 | N | 87.2 | Confident | 85.9 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 169.2 | -80.2 | -76.9 | 0 | 0 | 0 | 111.1 | V411 E412 A417 R418 D419 | V411-N415 PolarHBondContact O-N 2.77Å; V411-N415 PolarHBondContact O-ND2 3.43Å; E412-N415 PolarHBondContact O-N 3.13Å; N415-A417 VanDerWaalsContact C-N 3.3Å; N415-A417 PolarHBondContact O-N 3.05Å; N415-R418 WeakPolarHBondContact O-CB 3.35Å; N415-R418 PolarHBondContact O-N 3.07Å; N415-D419 WeakPolarHBondContact O-CB 3.09Å; N415-D419 PolarHBondContact O-N 3.1Å; N415-D419 VanDerWaalsContact O-OD1 3.07Å |
| 416 | N | 82.9 | Confident | 86.8 | Confident | 54 Ų | 54 | 35.8 Ų | 35.8 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 177.1 | -72.5 | -24.2 | 0 | 0 | 0 | 112.7 | E412 Q413 A420 | E412-N416 WeakPolarHBondContact O-CB 3.43Å; E412-N416 VanDerWaalsContact O-CG 3.24Å; E412-N416 PolarHBondContact O-N 3.15Å; E412-N416 PolarHBondContact O-ND2 3.22Å; Q413-N416 PolarHBondContact O-N 3.04Å; N416-A420 WeakPolarHBondContact O-CB 3.41Å; N416-A420 PolarHBondContact O-N 3.43Å |
| 417 | A | 85.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.1 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L409 Q413 A414 N415 A420 L421 L603 | L409-A417 HydrophobicContact CD1-CB 4.22Å; Q413-A417 VanDerWaalsContact O-CB 3.28Å; Q413-A417 WeakPolarHBondContact O-CB 3.45Å; Q413-A417 PolarHBondContact O-N 2.97Å; A414-A417 PolarHBondContact O-N 3.31Å; N415-A417 VanDerWaalsContact C-N 3.3Å; N415-A417 PolarHBondContact O-N 3.05Å; A417-A420 PolarHBondContact O-N 2.98Å; A417-L421 WeakPolarHBondContact O-CB 3.45Å; A417-L421 PolarHBondContact O-N 2.69Å; A417-L603 HydrophobicContact CB-CD1 3.94Å |
| 418 | R | 90.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 173 | -179.8 | -159.8 | 71.7 | 156.8 | 9 | 111.6 | L345 G346 I348 F350 L388 A414 N415 L421 A422 | L345-R418 HydrophobicContact CD1-CG 3.78Å; L345-R418 HydrophobicContact CG-CG 4.07Å; L345-R418 VanDerWaalsContact O-CD 3.3Å; L345-R418 WeakPolarHBondContact O-CD 3.37Å; L345-R418 WeakPolarHBondContact O-CG 3.2Å; G346-R418 PolarHBondContact O-NH1 2.81Å; I348-R418 VanDerWaalsContact O-CD 3.23Å; I348-R418 WeakPolarHBondContact O-CD 3.49Å; I348-R418 PolarHBondContact O-NH1 2.82Å; F350-R418 HydrophobicContact CE2-CB 4.16Å; F350-R418 HydrophobicContact CZ-CB 4.29Å; L388-R418 HydrophobicContact CD2-CB 4.14Å; A414-R418 WeakPolarHBondContact O-CB 3.27Å; A414-R418 PolarHBondContact O-N 2.66Å; N415-R418 WeakPolarHBondContact O-CB 3.35Å; N415-R418 PolarHBondContact O-N 3.07Å; R418-L421 PolarHBondContact O-N 3.05Å; R418-A422 PolarHBondContact O-N 3.45Å |
| 419 | D | 88.8 | Confident | 87.9 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.9 | -36 | -179.8 | -72.6 | 37.6 | 0 | 0 | 0 | 111 | C234 Y271 N415 A422 K423 | C234-D419 HydrophobicContact CB-CB 4.35Å; C234-D419 WeakPolarHBondContact CB-OD2 3.4Å; Y271-D419 PolarHBondContact OH-OD1 3.24Å; N415-D419 WeakPolarHBondContact O-CB 3.09Å; N415-D419 PolarHBondContact O-N 3.1Å; N415-D419 VanDerWaalsContact O-OD1 3.07Å; D419-A422 PolarHBondContact O-N 2.78Å; D419-K423 WeakPolarHBondContact O-CB 3.35Å; D419-K423 WeakPolarHBondContact O-CD 3.41Å; D419-K423 WeakPolarHBondContact O-CG 3.05Å; D419-K423 PolarHBondContact O-N 3.12Å |
| 420 | A | 86.3 | Confident | 88.3 | Confident | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | N416 A417 A424 | N416-A420 WeakPolarHBondContact O-CB 3.41Å; N416-A420 PolarHBondContact O-N 3.43Å; A417-A420 PolarHBondContact O-N 2.98Å; A420-A424 VanDerWaalsContact O-CB 3.29Å; A420-A424 WeakPolarHBondContact O-CB 3.4Å; A420-A424 PolarHBondContact O-N 3.05Å |
| 421 | L | 90.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 173.4 | 177.8 | 63.5 | 0 | 0 | 0 | 111.4 | L345 A417 R418 K423 A424 V425 L599 L603 V607 | L345-L421 HydrophobicContact CD1-CD2 4.14Å; L345-L421 HydrophobicContact CD2-CB 4.15Å; L345-L421 HydrophobicContact CD2-CD2 3.81Å; L345-L421 HydrophobicContact CD2-CG 3.78Å; A417-L421 WeakPolarHBondContact O-CB 3.45Å; A417-L421 PolarHBondContact O-N 2.69Å; R418-L421 PolarHBondContact O-N 3.05Å; L421-K423 PolarHBondContact O-N 2.96Å; L421-A424 PolarHBondContact O-N 2.67Å; L421-V425 HydrophobicContact CD1-CG2 3.9Å; L421-V425 HydrophobicContact CG-CG2 4.37Å; L421-V425 WeakPolarHBondContact O-CG2 3.13Å; L421-V425 PolarHBondContact O-N 3Å; L421-L599 HydrophobicContact CB-CD1 4.19Å; L421-L599 HydrophobicContact CD1-CD1 4.34Å; L421-L603 HydrophobicContact CD2-CD2 4.36Å; L421-V607 HydrophobicContact CD1-CG2 3.73Å |
| 422 | A | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 Y271 V342 L345 R418 D419 A424 Y426 | I233-A422 HydrophobicContact CG2-CB 4.49Å; Y271-A422 HydrophobicContact CE2-CB 3.62Å; Y271-A422 WeakPolarHBondContact OH-CB 3.14Å; V342-A422 HydrophobicContact CG1-CB 4.28Å; L345-A422 HydrophobicContact CD2-CB 3.89Å; R418-A422 PolarHBondContact O-N 3.45Å; D419-A422 PolarHBondContact O-N 2.78Å; A422-A424 VanDerWaalsContact C-N 3.33Å; A422-A424 PolarHBondContact O-N 3.27Å; A422-Y426 PolarHBondContact O-N 3.44Å; A422-Y426 VanDerWaalsContact O-N 3.11Å |
| 423 | K | 88.6 | Confident | 89.1 | Confident | 16 Ų | 16 | 18.4 Ų | 18.4 | 7% | 0.07 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 174.2 | -70.1 | 163 | -166.5 | 169.4 | 0 | 112 | K230 D419 L421 S427 | K230-K423 HydrophobicContact CB-CB 4.29Å; K230-K423 HydrophobicContact CB-CG 4.2Å; K230-K423 HydrophobicContact CD-CB 4.33Å; D419-K423 WeakPolarHBondContact O-CB 3.35Å; D419-K423 WeakPolarHBondContact O-CD 3.41Å; D419-K423 WeakPolarHBondContact O-CG 3.05Å; D419-K423 PolarHBondContact O-N 3.12Å; L421-K423 PolarHBondContact O-N 2.96Å; K423-S427 WeakPolarHBondContact O-CB 3.37Å; K423-S427 PolarHBondContact O-N 2.99Å; K423-S427 VanDerWaalsContact O-N 3.13Å |
| 424 | A | 87.8 | Confident | 89.5 | Confident | 15 Ų | 15 | 15.1 Ų | 15.1 | 12% | 0.124 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.8 | -53.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | A420 L421 A422 Y426 S427 R428 L599 F619 | A420-A424 VanDerWaalsContact O-CB 3.29Å; A420-A424 WeakPolarHBondContact O-CB 3.4Å; A420-A424 PolarHBondContact O-N 3.05Å; L421-A424 PolarHBondContact O-N 2.67Å; A422-A424 VanDerWaalsContact C-N 3.33Å; A422-A424 PolarHBondContact O-N 3.27Å; A424-Y426 PolarHBondContact O-N 3.11Å; A424-S427 PolarHBondContact O-N 3.18Å; A424-R428 WeakPolarHBondContact O-CG 3.48Å; A424-R428 PolarHBondContact O-N 3.37Å; A424-L599 HydrophobicContact CB-CD2 4.05Å; A424-F619 HydrophobicContact CB-CZ 4.39Å |
| 425 | V | 92.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.024 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.3 | -49.3 | -177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | V338 V342 L421 S427 R428 L429 F619 | V338-V425 HydrophobicContact CG1-CG1 3.34Å; V342-V425 HydrophobicContact CG2-CB 4.18Å; V342-V425 HydrophobicContact CG2-CG1 3.76Å; L421-V425 HydrophobicContact CD1-CG2 3.9Å; L421-V425 HydrophobicContact CG-CG2 4.37Å; L421-V425 WeakPolarHBondContact O-CG2 3.13Å; L421-V425 PolarHBondContact O-N 3Å; V425-S427 PolarHBondContact O-N 3.48Å; V425-R428 PolarHBondContact O-N 2.86Å; V425-L429 WeakPolarHBondContact O-CB 3.48Å; V425-L429 PolarHBondContact O-N 3.24Å; V425-F619 HydrophobicContact CG2-CE2 4.15Å; V425-F619 HydrophobicContact CG2-CZ 3.96Å |
| 426 | Y | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.6 | -36.3 | 178.7 | -170.5 | -83.2 | 0 | 0 | 0 | 112.5 | F190 L228 I233 Y243 I245 F246 A422 A424 R428 L429 F430 | F190-Y426 WeakPolarHBondContact CA-OH 3.43Å; F190-Y426 HydrophobicContact CD1-CE2 4.43Å; F190-Y426 PolarHBondContact O-OH 3.44Å; L228-Y426 HydrophobicContact CD2-CD1 4.38Å; L228-Y426 HydrophobicContact CD2-CE1 4.46Å; I233-Y426 HydrophobicContact CD1-CD1 3.66Å; I233-Y426 HydrophobicContact CD1-CG 3.89Å; I233-Y426 HydrophobicContact CG1-CD1 3.96Å; I233-Y426 HydrophobicContact CG1-CG 4.16Å; Y243-Y426 VanDerWaalsContact CB-OH 3.27Å; Y243-Y426 WeakPolarHBondContact CB-OH 3.41Å; Y243-Y426 AromaticContact CD2-CE1 3.94Å; Y243-Y426 HydrophobicContact CD2-CE1 3.94Å; Y243-Y426 AromaticContact CD2-CZ 3.99Å; Y243-Y426 HydrophobicContact CE2-CE1 4.19Å; Y243-Y426 HydrophobicContact CG-CE1 4.3Å; I245-Y426 HydrophobicContact CG2-CE2 4.07Å; I245-Y426 WeakPolarHBondContact CG2-OH 3.41Å; F246-Y426 HydrophobicContact CE1-CD2 4.49Å; F246-Y426 HydrophobicContact CE1-CE2 4.31Å; F246-Y426 HydrophobicContact CE2-CD2 4.37Å; F246-Y426 AromaticContact CE2-CE2 3.81Å; F246-Y426 HydrophobicContact CE2-CE2 3.81Å; F246-Y426 AromaticContact CZ-CD2 3.7Å; F246-Y426 HydrophobicContact CZ-CD2 3.7Å; F246-Y426 AromaticContact CZ-CE2 3.5Å; F246-Y426 HydrophobicContact CZ-CE2 3.5Å; A422-Y426 PolarHBondContact O-N 3.44Å; A422-Y426 VanDerWaalsContact O-N 3.11Å; A424-Y426 PolarHBondContact O-N 3.11Å; Y426-R428 PolarHBondContact O-N 3.34Å; Y426-L429 WeakPolarHBondContact O-CB 3.42Å; Y426-L429 PolarHBondContact O-N 2.88Å; Y426-F430 PolarHBondContact O-N 2.91Å |
| 427 | S | 89.2 | Confident | 89.9 | Confident | 16 Ų | 16 | 17.5 Ų | 17.5 | 11% | 0.112 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | K230 K423 A424 V425 F430 D431 | K230-S427 WeakPolarHBondContact CE-OG 3.33Å; K423-S427 WeakPolarHBondContact O-CB 3.37Å; K423-S427 PolarHBondContact O-N 2.99Å; K423-S427 VanDerWaalsContact O-N 3.13Å; A424-S427 PolarHBondContact O-N 3.18Å; V425-S427 PolarHBondContact O-N 3.48Å; S427-F430 PolarHBondContact O-N 2.79Å; S427-D431 VanDerWaalsContact O-CG 3.27Å; S427-D431 PolarHBondContact O-N 3.17Å |
| 428 | R | 89.4 | Confident | 90 | Very high | 71 Ų | 71 | 18.5 Ų | 18.5 | 27% | 0.268 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -67.8 | -35.7 | 174.6 | -63.8 | -54.5 | -165 | 177.5 | 8.3 | 112.5 | A424 V425 Y426 F430 D431 H432 L618 F619 | A424-R428 WeakPolarHBondContact O-CG 3.48Å; A424-R428 PolarHBondContact O-N 3.37Å; V425-R428 PolarHBondContact O-N 2.86Å; Y426-R428 PolarHBondContact O-N 3.34Å; R428-F430 VanDerWaalsContact C-N 3.32Å; R428-F430 PolarHBondContact O-N 3.16Å; R428-D431 WeakPolarHBondContact CD-OD2 3.42Å; R428-D431 IonicContact NH1-OD2 2.59Å; R428-D431 WeakPolarHBondContact O-CB 3.41Å; R428-D431 PolarHBondContact O-N 3.18Å; R428-H432 WeakPolarHBondContact O-CB 3.44Å; R428-H432 PolarHBondContact O-N 2.88Å; R428-L618 HydrophobicContact CB-CB 3.92Å; R428-L618 WeakPolarHBondContact CD-O 3.49Å; R428-L618 WeakPolarHBondContact CG-O 3.47Å; R428-F619 HydrophobicContact CB-CE2 4.36Å; R428-F619 HydrophobicContact CG-CD2 4.34Å; R428-F619 HydrophobicContact CG-CE1 4.49Å; R428-F619 HydrophobicContact CG-CE2 4Å; R428-F619 HydrophobicContact CG-CZ 4.09Å |
| 429 | L | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 173.9 | -167.5 | 68 | 0 | 0 | 0 | 111.1 | F190 L335 V338 V339 V425 Y426 H432 V433 F614 L618 | F190-L429 HydrophobicContact CD1-CD2 4.44Å; F190-L429 HydrophobicContact CE1-CD2 3.82Å; F190-L429 HydrophobicContact CE1-CG 4.31Å; L335-L429 HydrophobicContact CD2-CD1 3.57Å; L335-L429 HydrophobicContact CD2-CG 4.24Å; V338-L429 HydrophobicContact CB-CD1 3.99Å; V338-L429 HydrophobicContact CB-CD2 4.12Å; V338-L429 HydrophobicContact CG1-CD1 4.03Å; V338-L429 HydrophobicContact CG1-CD2 3.94Å; V338-L429 HydrophobicContact CG1-CG 4.42Å; V338-L429 HydrophobicContact CG2-CD1 4.44Å; V339-L429 HydrophobicContact CG2-CD2 3.75Å; V425-L429 WeakPolarHBondContact O-CB 3.48Å; V425-L429 PolarHBondContact O-N 3.24Å; Y426-L429 WeakPolarHBondContact O-CB 3.42Å; Y426-L429 PolarHBondContact O-N 2.88Å; L429-H432 PolarHBondContact O-N 2.92Å; L429-V433 WeakPolarHBondContact O-CG2 3.2Å; L429-V433 PolarHBondContact O-N 3.27Å; L429-F614 HydrophobicContact CD1-CE1 3.7Å; L429-F614 HydrophobicContact CD1-CZ 3.95Å; L429-L618 HydrophobicContact CD1-CD1 4.13Å |
| 430 | F | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 174.3 | -168.2 | -109.6 | 0 | 0 | 0 | 112.5 | F190 F204 H225 L228 Y426 S427 R428 H432 V433 V434 | F190-F430 HydrophobicContact CB-CD2 3.81Å; F190-F430 HydrophobicContact CB-CE2 4.11Å; F204-F430 HydrophobicContact CB-CE1 4.36Å; F204-F430 HydrophobicContact CB-CZ 4.44Å; F204-F430 AromaticContact CD1-CZ 3.92Å; F204-F430 HydrophobicContact CD1-CZ 3.92Å; F204-F430 HydrophobicContact CD2-CE1 4.07Å; F204-F430 AromaticContact CD2-CZ 3.78Å; F204-F430 HydrophobicContact CD2-CZ 3.78Å; F204-F430 HydrophobicContact CE1-CZ 4.07Å; F204-F430 AromaticContact CE2-CZ 3.91Å; F204-F430 HydrophobicContact CE2-CZ 3.91Å; F204-F430 HydrophobicContact CG-CE1 4.12Å; F204-F430 AromaticContact CG-CZ 3.79Å; F204-F430 HydrophobicContact CG-CZ 3.79Å; F204-F430 HydrophobicContact CZ-CZ 4.06Å; H225-F430 HydrophobicContact CB-CE1 4.06Å; H225-F430 AromaticContact CD2-CD1 3.9Å; H225-F430 AromaticContact CD2-CE1 3.65Å; H225-F430 AromaticContact CG-CE1 3.72Å; H225-F430 AromaticContact NE2-CD1 3.96Å; L228-F430 HydrophobicContact CD1-CD1 4.13Å; L228-F430 HydrophobicContact CD1-CE1 4.11Å; L228-F430 HydrophobicContact CD1-CG 4.4Å; L228-F430 HydrophobicContact CD1-CZ 4.38Å; L228-F430 HydrophobicContact CD2-CB 3.94Å; L228-F430 HydrophobicContact CD2-CD1 3.9Å; L228-F430 HydrophobicContact CD2-CG 4Å; L228-F430 HydrophobicContact CG-CD1 4.42Å; Y426-F430 PolarHBondContact O-N 2.91Å; S427-F430 PolarHBondContact O-N 2.79Å; R428-F430 VanDerWaalsContact C-N 3.32Å; R428-F430 PolarHBondContact O-N 3.16Å; F430-H432 PolarHBondContact O-N 2.79Å; F430-V433 PolarHBondContact O-N 2.83Å; F430-V434 HydrophobicContact CD1-CG2 4.35Å; F430-V434 HydrophobicContact CE1-CG2 4.07Å; F430-V434 HydrophobicContact CE2-CG2 4.47Å; F430-V434 HydrophobicContact CZ-CG2 4.14Å; F430-V434 WeakPolarHBondContact O-CG2 3.49Å; F430-V434 PolarHBondContact O-N 3Å |
| 431 | D | 89.9 | Confident | 88.7 | Confident | 51 Ų | 51 | 25.2 Ų | 25.2 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -51.4 | -46 | 170.8 | -65.6 | -25.4 | 0 | 0 | 0 | 110.5 | H225 S427 R428 K435 | H225-D431 IonicContact CE1-OD1 3.94Å; H225-D431 PolarHBondContact CE1-OD1 3.18Å; H225-D431 IonicContact NE2-OD1 2.77Å; S427-D431 VanDerWaalsContact O-CG 3.27Å; S427-D431 PolarHBondContact O-N 3.17Å; R428-D431 WeakPolarHBondContact CD-OD2 3.42Å; R428-D431 IonicContact NH1-OD2 2.59Å; R428-D431 WeakPolarHBondContact O-CB 3.41Å; R428-D431 PolarHBondContact O-N 3.18Å; D431-K435 WeakPolarHBondContact O-CB 3.37Å; D431-K435 PolarHBondContact O-N 3.01Å |
| 432 | H | 90.8 | Very high | 87.6 | Confident | 30 Ų | 30 | 27.2 Ų | 27.2 | 14% | 0.139 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.4 | -45.8 | 178.8 | -174.1 | 112.1 | 0 | 0 | 0 | 112.5 | R428 L429 F430 V434 K435 R436 F614 L618 | R428-H432 WeakPolarHBondContact O-CB 3.44Å; R428-H432 PolarHBondContact O-N 2.88Å; L429-H432 PolarHBondContact O-N 2.92Å; F430-H432 PolarHBondContact O-N 2.79Å; H432-V434 VanDerWaalsContact C-N 3.31Å; H432-V434 PolarHBondContact O-N 3.26Å; H432-K435 CarbonylContact O-C 3.57Å; H432-K435 WeakPolarHBondContact O-CB 3.44Å; H432-K435 PolarHBondContact O-N 3.4Å; H432-K435 VanDerWaalsContact O-N 3.17Å; H432-R436 WeakPolarHBondContact O-CB 3.48Å; H432-R436 PolarHBondContact O-N 3.49Å; H432-F614 AromaticContact CE1-CE2 3.53Å; H432-F614 AromaticContact ND1-CE2 3.91Å; H432-F614 AromaticContact NE2-CE2 3.66Å; H432-L618 HydrophobicContact CB-CD2 3.46Å; H432-L618 VanDerWaalsContact CB-CD2 3.46Å |
| 433 | V | 91.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 177.6 | 166.9 | 0 | 0 | 0 | 0 | 110.9 | L186 L187 F190 L335 L429 F430 R436 V437 | L186-V433 HydrophobicContact CD1-CG1 4.3Å; L186-V433 HydrophobicContact CD2-CG1 4.01Å; L186-V433 HydrophobicContact CG-CG1 3.84Å; L187-V433 HydrophobicContact CD2-CG1 4.4Å; F190-V433 HydrophobicContact CE1-CG2 4.46Å; F190-V433 HydrophobicContact CZ-CG2 4.45Å; L335-V433 HydrophobicContact CD1-CG2 4.32Å; L335-V433 HydrophobicContact CD2-CG2 3.77Å; L429-V433 WeakPolarHBondContact O-CG2 3.2Å; L429-V433 PolarHBondContact O-N 3.27Å; F430-V433 PolarHBondContact O-N 2.83Å; V433-R436 PolarHBondContact O-N 3.2Å; V433-V437 WeakPolarHBondContact O-CG2 3.31Å; V433-V437 PolarHBondContact O-N 3.33Å |
| 434 | V | 89.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 175.8 | 177 | 0 | 0 | 0 | 0 | 111.4 | L187 V223 H225 F430 H432 R436 V437 N438 | L187-V434 HydrophobicContact CD2-CG2 3.87Å; V223-V434 HydrophobicContact CG1-CG1 4.49Å; V223-V434 WeakPolarHBondContact O-CG1 3.29Å; H225-V434 HydrophobicContact CB-CG1 4.42Å; H225-V434 HydrophobicContact CB-CG2 4.19Å; F430-V434 HydrophobicContact CD1-CG2 4.35Å; F430-V434 HydrophobicContact CE1-CG2 4.07Å; F430-V434 HydrophobicContact CE2-CG2 4.47Å; F430-V434 HydrophobicContact CZ-CG2 4.14Å; F430-V434 WeakPolarHBondContact O-CG2 3.49Å; F430-V434 PolarHBondContact O-N 3Å; H432-V434 VanDerWaalsContact C-N 3.31Å; H432-V434 PolarHBondContact O-N 3.26Å; V434-R436 VanDerWaalsContact C-N 3.34Å; V434-R436 PolarHBondContact O-N 3.41Å; V434-V437 PolarHBondContact O-N 2.9Å; V434-N438 VanDerWaalsContact O-CG 3.31Å; V434-N438 PolarHBondContact O-N 2.71Å; V434-N438 PolarHBondContact O-ND2 2.69Å |
| 435 | K | 88.9 | Confident | 84.4 | Confident | 98 Ų | 98 | 42.4 Ų | 42.4 | 43% | 0.426 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 173.3 | -179.4 | -176.3 | 177.2 | -175.8 | 0 | 111.8 | D431 H432 N438 Q439 | D431-K435 WeakPolarHBondContact O-CB 3.37Å; D431-K435 PolarHBondContact O-N 3.01Å; H432-K435 CarbonylContact O-C 3.57Å; H432-K435 WeakPolarHBondContact O-CB 3.44Å; H432-K435 PolarHBondContact O-N 3.4Å; H432-K435 VanDerWaalsContact O-N 3.17Å; K435-N438 PolarHBondContact O-N 3.35Å; K435-Q439 WeakPolarHBondContact O-CG 3.42Å; K435-Q439 PolarHBondContact O-N 3.01Å |
| 436 | R | 87.8 | Confident | 83.9 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -40.7 | -179.5 | -168.9 | 60.5 | 167.4 | 76.6 | -1 | 111.9 | I325 G326 L327 E331 H432 V433 V434 N438 Q439 C440 | I325-R436 PolarHBondContact O-NH1 2.87Å; I325-R436 VanDerWaalsContact O-NH1 3.09Å; G326-R436 PolarHBondContact O-NH2 3.42Å; L327-R436 HydrophobicContact CD1-CG 3.77Å; L327-R436 HydrophobicContact CG-CG 4.07Å; E331-R436 VanDerWaalsContact CD-NH2 3.3Å; E331-R436 IonicContact OE1-CZ 3.3Å; E331-R436 IonicContact OE1-NE 2.71Å; E331-R436 PolarHBondContact OE1-NE 3.13Å; E331-R436 IonicContact OE1-NH2 3.24Å; E331-R436 PolarHBondContact OE1-NH2 3.49Å; E331-R436 IonicContact OE2-CZ 3.41Å; E331-R436 IonicContact OE2-NE 2.68Å; E331-R436 IonicContact OE2-NH2 3.03Å; E331-R436 PolarHBondContact OE2-NH2 3.46Å; H432-R436 WeakPolarHBondContact O-CB 3.48Å; H432-R436 PolarHBondContact O-N 3.49Å; V433-R436 PolarHBondContact O-N 3.2Å; V434-R436 VanDerWaalsContact C-N 3.34Å; V434-R436 PolarHBondContact O-N 3.41Å; R436-N438 VanDerWaalsContact C-N 3.33Å; R436-N438 PolarHBondContact O-N 2.84Å; R436-Q439 PolarHBondContact O-N 3.23Å; R436-C440 PolarHBondContact O-SG 3.07Å |
| 437 | V | 87.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 169.2 | 165.2 | 0 | 0 | 0 | 0 | 110.7 | A183 L186 V223 I325 V433 V434 Q439 C440 F441 | A183-V437 HydrophobicContact CB-CG1 3.75Å; A183-V437 HydrophobicContact CB-CG2 4.29Å; L186-V437 HydrophobicContact CD2-CG2 4.06Å; V223-V437 HydrophobicContact CG2-CG1 4.48Å; I325-V437 HydrophobicContact CG2-CG2 4.41Å; V433-V437 WeakPolarHBondContact O-CG2 3.31Å; V433-V437 PolarHBondContact O-N 3.33Å; V434-V437 PolarHBondContact O-N 2.9Å; V437-Q439 VanDerWaalsContact C-N 3.31Å; V437-Q439 PolarHBondContact O-N 2.96Å; V437-C440 WeakPolarHBondContact O-CB 3.35Å; V437-C440 PolarHBondContact O-N 3.36Å; V437-F441 HydrophobicContact CG1-CE2 3.82Å; V437-F441 HydrophobicContact CG1-CZ 3.71Å; V437-F441 WeakPolarHBondContact O-CE2 3.3Å |
| 438 | N | 88.2 | Confident | 83.7 | Confident | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -31.4 | 179.5 | -72.2 | -21.8 | 0 | 0 | 0 | 113.8 | F222 V223 V434 K435 R436 C440 F441 | F222-N438 HydrophobicContact CD2-CB 4.15Å; F222-N438 HydrophobicContact CE2-CB 4.1Å; F222-N438 WeakPolarHBondContact CE2-ND2 3.44Å; V223-N438 WeakPolarHBondContact CA-OD1 3.14Å; V223-N438 WeakPolarHBondContact CB-OD1 2.97Å; V223-N438 PolarHBondContact N-OD1 2.78Å; V223-N438 PolarHBondContact O-ND2 3.24Å; V434-N438 VanDerWaalsContact O-CG 3.31Å; V434-N438 PolarHBondContact O-N 2.71Å; V434-N438 PolarHBondContact O-ND2 2.69Å; K435-N438 PolarHBondContact O-N 3.35Å; R436-N438 VanDerWaalsContact C-N 3.33Å; R436-N438 PolarHBondContact O-N 2.84Å; N438-C440 PolarHBondContact O-N 2.81Å; N438-F441 PolarHBondContact O-N 3.46Å |
| 439 | Q | 85.3 | Confident | 83.9 | Confident | 122 Ų | 122 | 45.1 Ų | 45.1 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.7 | 174.1 | -72 | 169.5 | -45.1 | 0 | 0 | 113.8 | K435 R436 V437 | K435-Q439 WeakPolarHBondContact O-CG 3.42Å; K435-Q439 PolarHBondContact O-N 3.01Å; R436-Q439 PolarHBondContact O-N 3.23Å; V437-Q439 VanDerWaalsContact C-N 3.31Å; V437-Q439 PolarHBondContact O-N 2.96Å |
| 440 | C | 77.6 | Confident | 83.9 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -12.1 | -177.9 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | R179 I325 R436 V437 N438 | R179-C440 PolarHBondContact NH1-O 2.99Å; I325-C440 HydrophobicContact CG2-CB 4.28Å; I325-C440 WeakPolarHBondContact CG2-SG 3.13Å; I325-C440 PolarHBondContact O-SG 3Å; R436-C440 PolarHBondContact O-SG 3.07Å; V437-C440 WeakPolarHBondContact O-CB 3.35Å; V437-C440 PolarHBondContact O-N 3.36Å; N438-C440 PolarHBondContact O-N 2.81Å |
| 441 | F | 75.5 | Confident | 84 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -88.3 | 126.4 | 170.8 | -47.8 | -53 | 0 | 0 | 0 | 108.9 | R179 I180 G221 V223 V437 N438 | R179-F441 HydrophobicContact CB-CD1 4.43Å; R179-F441 HydrophobicContact CB-CE1 4.2Å; I180-F441 HydrophobicContact CB-CE1 4.46Å; I180-F441 HydrophobicContact CD1-CE1 4.46Å; I180-F441 HydrophobicContact CG1-CD1 4.11Å; I180-F441 HydrophobicContact CG1-CE1 3.43Å; I180-F441 VanDerWaalsContact CG1-CE1 3.43Å; I180-F441 HydrophobicContact CG1-CZ 3.87Å; G221-F441 WeakPolarHBondContact O-CB 3.04Å; G221-F441 WeakPolarHBondContact O-CD2 3.43Å; V223-F441 HydrophobicContact CG2-CE2 4.04Å; V223-F441 HydrophobicContact CG2-CZ 4.36Å; V437-F441 HydrophobicContact CG1-CE2 3.82Å; V437-F441 HydrophobicContact CG1-CZ 3.71Å; V437-F441 WeakPolarHBondContact O-CE2 3.3Å; N438-F441 PolarHBondContact O-N 3.46Å |
| 442 | P | 66.3 | Low | 84.1 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 29% | 0.286 | 22% | 0.223 | S | C | . | . | trans | -63.8 | 143.2 | 172.3 | 27.8 | -33.2 | 0 | 0 | 0 | 109.7 | Q174 I176 V219 G220 | Q174-P442 VanDerWaalsContact OE1-CG 3.31Å; I176-P442 HydrophobicContact CD1-CG 4.45Å; V219-P442 VanDerWaalsContact O-O 3.11Å; G220-P442 WeakPolarHBondContact CA-O 3.36Å | ||
| 443 | F | 68 | Low | 84.2 | Confident | 128 Ų | 128 | 41.2 Ų | 41.2 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | trans | -137.9 | 107.7 | 177.1 | -166.8 | -87.3 | 0 | 0 | 0 | 109.6 | ||||
| 444 | Q | 62.5 | Low | 84 | Confident | 158 Ų | 158 | 41.5 Ų | 41.5 | 74% | 0.738 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -104.9 | -58.1 | -177.8 | -66.5 | -177.9 | -10.4 | 0 | 0 | 111.7 | ||
| 445 | A | 72.1 | Confident | 83.5 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 52% | 0.521 | 22% | 0.219 | S | C | . | . | trans | -158.7 | 134.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | V219 | V219-A445 WeakPolarHBondContact CG2-O 3.23Š| ||
| 446 | S | 81.9 | Confident | 82.8 | Confident | 47 Ų | 47 | 38 Ų | 38 | 33% | 0.329 | 21% | 0.206 | S | C | . | . | trans | -116.2 | 128 | 179.8 | 165.9 | 0 | 0 | 0 | 0 | 110.6 | H211 | H211-S446 PolarHBondContact ND1-OG 3.03Š| ||
| 447 | S | 86.4 | Confident | 82.2 | Confident | 46 Ų | 46 | 36.2 Ų | 36.2 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -101.9 | -43.2 | 175.8 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | F212 D214 | F212-S447 PolarHBondContact O-N 3.43Å; D214-S447 PolarHBondContact N-OG 2.86Å; D214-S447 VanDerWaalsContact N-OG 3.16Å; D214-S447 WeakPolarHBondContact OD1-CB 3.45Å; D214-S447 PolarHBondContact OD1-OG 3.46Å |
| 448 | N | 92.4 | Very high | 81.8 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 164.7 | 176 | -73.4 | -93.9 | 0 | 0 | 0 | 109.4 | M136 M141 S142 F212 | M136-N448 HydrophobicContact CG-CB 3.85Å; M136-N448 HydrophobicContact SD-CB 3.7Å; M141-N448 VanDerWaalsContact C-OD1 3.31Å; M141-N448 WeakPolarHBondContact CA-OD1 3.31Å; M141-N448 PolarHBondContact N-OD1 3.2Å; S142-N448 PolarHBondContact N-OD1 2.83Å; F212-N448 PolarHBondContact N-O 2.91Å; F212-N448 PolarHBondContact O-N 2.76Å; F212-N448 VanDerWaalsContact O-N 3.14Å |
| 449 | F | 93.1 | Very high | 81.3 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 157.8 | 173.2 | 67.5 | -94.3 | 0 | 0 | 0 | 112.1 | S142 Q143 F207 E209 I210 K656 T660 | S142-F449 CarbonylContact C-O 3.59Å; S142-F449 WeakPolarHBondContact CA-O 3.24Å; S142-F449 VanDerWaalsContact CB-O 3.24Å; S142-F449 WeakPolarHBondContact CB-O 3.44Å; S142-F449 WeakPolarHBondContact OG-CD1 2.87Å; S142-F449 WeakPolarHBondContact OG-CE1 3.27Å; S142-F449 PolarHBondContact OG-N 3.47Å; Q143-F449 PolarHBondContact N-O 2.88Å; F207-F449 HydrophobicContact CE1-CE2 4.3Å; F207-F449 HydrophobicContact CZ-CE2 4.2Å; E209-F449 HydrophobicContact CB-CD2 4.42Å; E209-F449 HydrophobicContact CG-CD2 4.16Å; I210-F449 CarbonylContact O-C 3.52Å; I210-F449 WeakPolarHBondContact O-CA 3.49Å; I210-F449 WeakPolarHBondContact O-CB 3.16Å; F449-K656 HydrophobicContact CZ-CG 4.35Å; F449-T660 HydrophobicContact CE2-CG2 3.82Å; F449-T660 HydrophobicContact CZ-CG2 3.57Å |
| 450 | I | 94.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.4 | 162.9 | -56.5 | 173.5 | 0 | 0 | 0 | 107.2 | A132 Y133 M136 Q143 I145 L166 I210 F212 | A132-I450 HydrophobicContact CB-CG2 4.3Å; Y133-I450 HydrophobicContact CD2-CD1 4.35Å; M136-I450 HydrophobicContact CE-CD1 4.27Å; M136-I450 HydrophobicContact CE-CG1 4.49Å; M136-I450 HydrophobicContact SD-CD1 4.12Å; M136-I450 HydrophobicContact SD-CG1 3.71Å; Q143-I450 HydrophobicContact CB-CG1 4.44Å; Q143-I450 HydrophobicContact CB-CG2 4.48Å; Q143-I450 CarbonylContact O-C 3.53Å; Q143-I450 WeakPolarHBondContact O-CA 3.35Å; I145-I450 HydrophobicContact CD1-CG2 4.14Å; I145-I450 HydrophobicContact CG1-CG2 4.46Å; L166-I450 HydrophobicContact CD1-CB 4.13Å; L166-I450 HydrophobicContact CD1-CD1 4.31Å; L166-I450 HydrophobicContact CD1-CG2 3.8Å; L166-I450 HydrophobicContact CD2-CD1 3.9Å; I210-I450 PolarHBondContact N-O 3.2Å; I210-I450 PolarHBondContact O-N 2.73Å; F212-I450 HydrophobicContact CD2-CG1 4.28Å; F212-I450 HydrophobicContact CE2-CB 3.98Å; F212-I450 HydrophobicContact CE2-CD1 3.62Å; F212-I450 HydrophobicContact CE2-CG1 3.6Å; F212-I450 HydrophobicContact CZ-CD1 3.76Å; F212-I450 HydrophobicContact CZ-CG1 4.26Å |
| 451 | G | 93.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 144.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q143 S144 I145 V208 | Q143-G451 PolarHBondContact O-N 3.28Å; S144-G451 CarbonylContact C-O 3.59Å; S144-G451 WeakPolarHBondContact CA-O 3.27Å; I145-G451 PolarHBondContact N-O 2.77Å; V208-G451 CarbonylContact O-C 3.42Å; V208-G451 WeakPolarHBondContact O-CA 3.36Å |
| 452 | V | 93.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.5 | 169.7 | -167.3 | 0 | 0 | 0 | 0 | 107.9 | I145 V147 T159 V162 L163 F207 V208 | I145-V452 WeakPolarHBondContact O-CA 3.31Å; V147-V452 HydrophobicContact CG2-CG1 4.16Å; T159-V452 HydrophobicContact CG2-CG1 3.86Å; V162-V452 HydrophobicContact CB-CG1 4.45Å; V162-V452 HydrophobicContact CB-CG2 4.47Å; V162-V452 HydrophobicContact CG1-CG1 4.26Å; V162-V452 HydrophobicContact CG1-CG2 3.59Å; L163-V452 HydrophobicContact CD2-CB 4.28Å; L163-V452 HydrophobicContact CD2-CG2 3.72Å; L163-V452 HydrophobicContact CG-CG2 4.22Å; F207-V452 WeakPolarHBondContact CA-O 3.27Å; V208-V452 PolarHBondContact N-O 2.7Å; V208-V452 PolarHBondContact O-N 3.33Å |
| 453 | L | 91.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.9 | -179.5 | -175.4 | 60.8 | 0 | 0 | 0 | 110.3 | I145 I146 V147 F207 I455 L478 L653 L657 | I145-L453 PolarHBondContact O-N 3.16Å; I146-L453 HydrophobicContact CG1-CB 4.43Å; I146-L453 HydrophobicContact CG1-CD2 4.42Å; I146-L453 HydrophobicContact CG2-CD2 4.45Å; V147-L453 WeakPolarHBondContact CB-O 3.49Å; V147-L453 PolarHBondContact N-O 3.28Å; F207-L453 HydrophobicContact CB-CD1 4.07Å; F207-L453 HydrophobicContact CD2-CB 3.8Å; F207-L453 HydrophobicContact CD2-CD1 4Å; F207-L453 HydrophobicContact CD2-CG 4.46Å; F207-L453 HydrophobicContact CE2-CB 4.26Å; F207-L453 HydrophobicContact CG-CD1 4.48Å; L453-I455 HydrophobicContact CD1-CG2 3.78Å; L453-I455 HydrophobicContact CD2-CG2 4.33Å; L453-I455 HydrophobicContact CG-CG2 3.94Å; L453-L478 HydrophobicContact CD2-CD2 4.25Å; L453-L653 HydrophobicContact CD1-CD1 4.21Å; L453-L653 HydrophobicContact CD1-CD2 4.03Å; L453-L653 HydrophobicContact CD2-CD1 4.44Å; L453-L653 HydrophobicContact CD2-CD2 4.23Å; L453-L657 HydrophobicContact CD2-CD1 3.98Å |
| 454 | D | 87.1 | Confident | 82.4 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.5 | 165.6 | -167 | 9.2 | 0 | 0 | 0 | 108.6 | K155 T156 T159 K206 | K155-D454 WeakPolarHBondContact CB-OD1 3.32Å; T156-D454 WeakPolarHBondContact CA-OD2 3.21Å; T156-D454 VanDerWaalsContact CB-OD2 3.3Å; T156-D454 WeakPolarHBondContact CB-OD2 3.47Å; T156-D454 PolarHBondContact OG1-OD2 3.46Å; T159-D454 HydrophobicContact CG2-CB 4.33Å; K206-D454 PolarHBondContact N-O 3.13Å; K206-D454 PolarHBondContact O-N 3.15Å; K206-D454 VanDerWaalsContact O-O 3.1Å |
| 455 | I | 79.6 | Confident | 83.6 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | trans | -136.3 | 156.5 | -174.5 | 47.8 | 134.2 | 0 | 0 | 0 | 110.9 | K155 L453 G457 L478 | K155-I455 WeakPolarHBondContact CE-O 3.49Å; L453-I455 HydrophobicContact CD1-CG2 3.78Å; L453-I455 HydrophobicContact CD2-CG2 4.33Å; L453-I455 HydrophobicContact CG-CG2 3.94Å; I455-G457 PolarHBondContact O-N 2.86Å; I455-L478 HydrophobicContact CD1-CD1 3.56Å; I455-L478 HydrophobicContact CG1-CD1 4.28Å; I455-L478 HydrophobicContact CG2-CD1 4.35Å | ||
| 456 | A | 74.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 26.7 Ų | 26.7 | 14% | 0.14 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 123.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I471 N475 | A456-I471 HydrophobicContact CB-CD1 4.42Å; A456-I471 HydrophobicContact CB-CG1 4.43Å; A456-I471 HydrophobicContact CB-CG2 3.95Å; A456-N475 PolarHBondContact O-ND2 3.39Å |
| 457 | G | 74.4 | Confident | 84 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G149 I455 E459 I471 | G149-G457 WeakPolarHBondContact O-CA 3.46Å; I455-G457 PolarHBondContact O-N 2.86Å; G457-E459 WeakPolarHBondContact O-CG 3.45Å; G457-E459 PolarHBondContact O-N 2.86Å; G457-I471 VanDerWaalsContact O-CG2 3.28Å; G457-I471 WeakPolarHBondContact O-CG2 3.43Å |
| 458 | F | 80.8 | Confident | 83.9 | Confident | 20 Ų | 20 | 23.5 Ų | 23.5 | 9% | 0.088 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 135.8 | 169.5 | -163.6 | -83.8 | 0 | 0 | 0 | 110.4 | N472 N475 H579 F580 A581 V584 | F458-N472 HydrophobicContact CD2-CB 4.1Å; F458-N472 WeakPolarHBondContact CD2-OD1 3.35Å; F458-N472 HydrophobicContact CE2-CB 3.62Å; F458-N472 HydrophobicContact CZ-CB 4.01Å; F458-N475 HydrophobicContact CB-CB 4.46Å; F458-N475 HydrophobicContact CD2-CB 4.05Å; F458-N475 PolarHBondContact N-OD1 3.23Å; F458-H579 HydrophobicContact CE2-CB 3.71Å; F458-H579 AromaticContact CE2-CG 3.84Å; F458-H579 HydrophobicContact CZ-CB 3.64Å; F458-H579 AromaticContact CZ-CG 3.77Å; F458-F580 AromaticContact CD2-CE1 3.8Å; F458-F580 HydrophobicContact CD2-CE1 3.8Å; F458-F580 AromaticContact CD2-CZ 3.93Å; F458-F580 HydrophobicContact CD2-CZ 3.93Å; F458-F580 HydrophobicContact CE2-CE1 4.17Å; F458-A581 HydrophobicContact CD1-CB 3.63Å; F458-A581 HydrophobicContact CD2-CB 3.78Å; F458-A581 HydrophobicContact CE1-CB 3.62Å; F458-A581 HydrophobicContact CE2-CB 3.75Å; F458-A581 HydrophobicContact CG-CB 3.72Å; F458-A581 HydrophobicContact CZ-CB 3.68Å; F458-V584 HydrophobicContact CE1-CG2 3.68Å; F458-V584 HydrophobicContact CZ-CG2 3.55Å |
| 459 | E | 76.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | trans | -120.8 | 134.7 | -176.7 | -59.1 | -154.5 | 130.4 | 0 | 0 | 111.6 | R203 G457 F461 Q468 I471 N472 | R203-E459 IonicContact CZ-OE1 3.14Å; R203-E459 IonicContact CZ-OE2 3.46Å; R203-E459 IonicContact NH1-OE1 3.22Å; R203-E459 PolarHBondContact NH1-OE1 3.31Å; R203-E459 IonicContact NH1-OE2 2.81Å; R203-E459 PolarHBondContact NH1-OE2 3.5Å; R203-E459 IonicContact NH2-OE2 2.69Å; R203-E459 PolarHBondContact NH2-OE2 2.92Å; G457-E459 WeakPolarHBondContact O-CG 3.45Å; G457-E459 PolarHBondContact O-N 2.86Å; E459-F461 HydrophobicContact CB-CE2 3.86Å; E459-F461 HydrophobicContact CB-CZ 4.21Å; E459-F461 HydrophobicContact CG-CE2 4.44Å; E459-F461 HydrophobicContact CG-CZ 4.47Å; E459-Q468 HydrophobicContact CB-CG 4.13Å; E459-I471 HydrophobicContact CG-CG2 4.17Å; E459-N472 PolarHBondContact N-OD1 3.33Å; E459-N472 PolarHBondContact O-ND2 2.69Å; E459-N472 PolarHBondContact O-OD1 2.76Å | ||
| 460 | Y | 76.7 | Confident | 83.3 | Confident | 72 Ų | 72 | 21.6 Ų | 21.6 | 28% | 0.282 | 10% | 0.104 | S | C | . | . | trans | -141.8 | 111.2 | 175.6 | 179.6 | -109.2 | 0 | 0 | 0 | 109.3 | R197 L563 A583 V584 | R197-Y460 PolarHBondContact NE-O 2.72Å; R197-Y460 PolarHBondContact NH2-O 2.86Å; Y460-L563 WeakPolarHBondContact OH-CD1 3.48Å; Y460-A583 WeakPolarHBondContact CE2-O 3.4Å; Y460-V584 HydrophobicContact CD2-CB 4.3Å; Y460-V584 HydrophobicContact CD2-CG1 4.09Å; Y460-V584 HydrophobicContact CD2-CG2 3.96Å | ||
| 461 | F | 76.2 | Confident | 82.7 | Confident | 20 Ų | 20 | 22.6 Ų | 22.6 | 9% | 0.088 | 11% | 0.11 | C | C | . | . | trans | -114.4 | 173.9 | 173.6 | -51.9 | -68.7 | 0 | 0 | 0 | 109.5 | V196 R197 E459 H463 N464 Q468 | V196-F461 HydrophobicContact CB-CD1 4.23Å; V196-F461 HydrophobicContact CB-CE1 4.24Å; R197-F461 HydrophobicContact CB-CE1 3.95Å; R197-F461 HydrophobicContact CG-CD1 4.12Å; R197-F461 HydrophobicContact CG-CE1 3.7Å; E459-F461 HydrophobicContact CB-CE2 3.86Å; E459-F461 HydrophobicContact CB-CZ 4.21Å; E459-F461 HydrophobicContact CG-CE2 4.44Å; E459-F461 HydrophobicContact CG-CZ 4.47Å; F461-H463 VanDerWaalsContact C-N 3.26Å; F461-N464 PolarHBondContact N-OD1 3Å; F461-N464 PolarHBondContact O-ND2 3.19Å; F461-N464 PolarHBondContact O-OD1 3.05Å; F461-Q468 HydrophobicContact CD2-CG 3.71Å; F461-Q468 HydrophobicContact CE2-CG 3.7Å | ||
| 462 | E | 78.4 | Confident | 82.4 | Confident | 131 Ų | 131 | 22.6 Ų | 22.6 | 61% | 0.612 | 11% | 0.11 | S | C | * | . | S | Bend | trans | -68.5 | -30.5 | 173.8 | -58.9 | -176.9 | 149.1 | 0 | 0 | 111.4 | I565 H566 | E462-I565 HydrophobicContact CB-CD1 4.48Å; E462-H566 PolarHBondContact O-NE2 2.91Å |
| 463 | H | 80.4 | Confident | 82.1 | Confident | 103 Ų | 103 | 22.9 Ų | 22.9 | 48% | 0.477 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -123.5 | 111 | 174 | -59.3 | -81.6 | 0 | 0 | 0 | 108.5 | F461 E587 | F461-H463 VanDerWaalsContact C-N 3.26Å; H463-E587 IonicContact CE1-OE1 2.83Å; H463-E587 IonicContact CG-OE1 3.54Å; H463-E587 IonicContact CG-OE2 3.22Å; H463-E587 IonicContact ND1-OE1 2.65Å; H463-E587 PolarHBondContact ND1-OE1 2.91Å; H463-E587 IonicContact ND1-OE2 2.68Å; H463-E587 PolarHBondContact ND1-OE2 3.5Å |
| 464 | N | 85.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -111.1 | 134.8 | 179.1 | -50.8 | -87.3 | 0 | 0 | 0 | 109.6 | F461 Q468 V584 C585 Y586 E587 | F461-N464 PolarHBondContact N-OD1 3Å; F461-N464 PolarHBondContact O-ND2 3.19Å; F461-N464 PolarHBondContact O-OD1 3.05Å; N464-Q468 HydrophobicContact CB-CB 4.07Å; N464-Q468 HydrophobicContact CB-CG 4.35Å; N464-V584 HydrophobicContact CB-CG1 4.07Å; N464-C585 WeakPolarHBondContact CB-O 3.23Å; N464-C585 PolarHBondContact ND2-O 3.08Å; N464-Y586 HydrophobicContact CB-CD1 3.67Å; N464-Y586 HydrophobicContact CB-CE1 3.98Å; N464-Y586 WeakPolarHBondContact O-CA 3.17Å; N464-E587 PolarHBondContact O-N 2.77Å |
| 465 | S | 85.9 | Confident | 81.7 | Confident | 18 Ų | 18 | 23.4 Ų | 23.4 | 13% | 0.126 | 11% | 0.114 | C | C | . | . | trans | -121.2 | -167.8 | -179.4 | -159.8 | 0 | 0 | 0 | 0 | 111.6 | E467 Q468 F469 K594 | S465-E467 WeakPolarHBondContact CB-OE2 3.43Å; S465-E467 PolarHBondContact O-N 3.35Å; S465-E467 VanDerWaalsContact O-N 3.14Å; S465-Q468 PolarHBondContact O-N 2.87Å; S465-Q468 VanDerWaalsContact O-N 3.12Å; S465-F469 PolarHBondContact O-N 2.71Å; S465-K594 PolarHBondContact OG-NZ 3.07Å | ||
| 466 | F | 84.4 | Confident | 82.1 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 2% | 0.022 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.6 | -30.1 | -172.4 | -178 | -113.4 | 0 | 0 | 0 | 113.5 | F469 C470 L524 L527 F591 K594 N595 V640 | F466-F469 HydrophobicContact CD2-CD1 4.27Å; F466-F469 HydrophobicContact CE2-CD1 4.4Å; F466-F469 PolarHBondContact O-N 3.44Å; F466-C470 PolarHBondContact O-N 2.83Å; F466-C470 PolarHBondContact O-SG 2.98Å; F466-L524 HydrophobicContact CE2-CD2 4.41Å; F466-L527 HydrophobicContact CD2-CD2 4.02Å; F466-L527 HydrophobicContact CE2-CD2 3.53Å; F466-L527 HydrophobicContact CZ-CD2 4.31Å; F466-F591 HydrophobicContact CB-CD1 3.9Å; F466-F591 HydrophobicContact CB-CD2 4.39Å; F466-F591 HydrophobicContact CB-CE1 3.82Å; F466-F591 HydrophobicContact CB-CE2 4.33Å; F466-F591 HydrophobicContact CB-CG 4.19Å; F466-F591 HydrophobicContact CB-CZ 4.05Å; F466-F591 AromaticContact CD2-CD2 3.8Å; F466-F591 HydrophobicContact CD2-CD2 3.8Å; F466-F591 AromaticContact CD2-CE2 3.87Å; F466-F591 HydrophobicContact CD2-CE2 3.87Å; F466-F591 HydrophobicContact CD2-CG 4.26Å; F466-F591 HydrophobicContact CD2-CZ 4.4Å; F466-K594 HydrophobicContact CB-CB 4.17Å; F466-K594 HydrophobicContact CB-CD 3.94Å; F466-K594 HydrophobicContact CD1-CB 3.78Å; F466-K594 HydrophobicContact CG-CB 4.23Å; F466-N595 HydrophobicContact CE1-CB 4.28Å; F466-N595 HydrophobicContact CE2-CB 4.38Å; F466-N595 HydrophobicContact CZ-CB 3.92Å; F466-V640 HydrophobicContact CE1-CB 3.85Å; F466-V640 HydrophobicContact CE1-CG1 3.83Å; F466-V640 HydrophobicContact CE1-CG2 4.37Å; F466-V640 HydrophobicContact CZ-CB 4.07Å; F466-V640 HydrophobicContact CZ-CG1 4.18Å |
| 467 | E | 79.2 | Confident | 82.8 | Confident | 19 Ų | 19 | 23.2 Ų | 23.2 | 9% | 0.089 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -49.2 | 176.5 | -62.6 | 78.4 | -174.5 | 0 | 0 | 111.6 | E229 S231 S465 F469 C470 I471 K594 | E229-E467 HydrophobicContact CG-CB 4.25Å; E229-E467 HydrophobicContact CG-CG 3.85Å; E229-E467 WeakPolarHBondContact OE1-CB 3.46Å; S231-E467 WeakPolarHBondContact CB-OE1 3.47Å; S231-E467 VanDerWaalsContact OG-CD 3.27Å; S231-E467 WeakPolarHBondContact OG-CG 3.31Å; S231-E467 PolarHBondContact OG-OE1 3.27Å; S465-E467 WeakPolarHBondContact CB-OE2 3.43Å; S465-E467 PolarHBondContact O-N 3.35Å; S465-E467 VanDerWaalsContact O-N 3.14Å; E467-F469 VanDerWaalsContact C-N 3.33Å; E467-C470 PolarHBondContact O-N 3.03Å; E467-I471 WeakPolarHBondContact O-CG1 3.25Å; E467-I471 PolarHBondContact O-N 3.23Å; E467-K594 VanDerWaalsContact CD-NZ 3.26Å; E467-K594 VanDerWaalsContact OE1-CD 3.3Å; E467-K594 WeakPolarHBondContact OE1-CD 3.31Å; E467-K594 WeakPolarHBondContact OE1-CE 3.3Å; E467-K594 IonicContact OE1-NZ 3.25Å; E467-K594 PolarHBondContact OE1-NZ 3.2Å; E467-K594 IonicContact OE2-NZ 2.71Å; E467-K594 PolarHBondContact OE2-NZ 2.84Å |
| 468 | Q | 83.7 | Confident | 83.4 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 175 | -71.4 | 70 | 42.3 | 0 | 0 | 110.9 | E459 F461 N464 S465 C470 I471 N472 Y586 | E459-Q468 HydrophobicContact CB-CG 4.13Å; F461-Q468 HydrophobicContact CD2-CG 3.71Å; F461-Q468 HydrophobicContact CE2-CG 3.7Å; N464-Q468 HydrophobicContact CB-CB 4.07Å; N464-Q468 HydrophobicContact CB-CG 4.35Å; S465-Q468 PolarHBondContact O-N 2.87Å; S465-Q468 VanDerWaalsContact O-N 3.12Å; Q468-C470 VanDerWaalsContact C-N 3.32Å; Q468-C470 PolarHBondContact O-N 2.99Å; Q468-I471 PolarHBondContact O-N 3.38Å; Q468-N472 VanDerWaalsContact O-CB 3.24Å; Q468-N472 WeakPolarHBondContact O-CB 3.24Å; Q468-N472 VanDerWaalsContact O-CG 3.23Å; Q468-N472 PolarHBondContact O-N 3.12Å; Q468-N472 PolarHBondContact O-ND2 2.86Å; Q468-Y586 HydrophobicContact CB-CE1 4.19Å |
| 469 | F | 88.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 175.1 | 177.2 | -100.9 | 0 | 0 | 0 | 111.5 | S465 F466 E467 Y473 V516 I523 L524 F575 I577 Y586 F591 | S465-F469 PolarHBondContact O-N 2.71Å; F466-F469 HydrophobicContact CD2-CD1 4.27Å; F466-F469 HydrophobicContact CE2-CD1 4.4Å; F466-F469 PolarHBondContact O-N 3.44Å; E467-F469 VanDerWaalsContact C-N 3.33Å; F469-Y473 VanDerWaalsContact O-CB 3.24Å; F469-Y473 WeakPolarHBondContact O-CB 3.37Å; F469-Y473 PolarHBondContact O-N 3.06Å; F469-V516 HydrophobicContact CE1-CG1 4.22Å; F469-V516 HydrophobicContact CE2-CG2 4.15Å; F469-V516 HydrophobicContact CZ-CG1 3.8Å; F469-V516 HydrophobicContact CZ-CG2 4.05Å; F469-I523 HydrophobicContact CE1-CG2 4.41Å; F469-I523 HydrophobicContact CE2-CG2 4.3Å; F469-I523 HydrophobicContact CZ-CB 4.14Å; F469-I523 HydrophobicContact CZ-CG2 3.69Å; F469-L524 HydrophobicContact CE1-CD2 3.82Å; F469-L524 HydrophobicContact CE1-CG 4.19Å; F469-F575 HydrophobicContact CD2-CE2 4.32Å; F469-F575 HydrophobicContact CD2-CZ 4.45Å; F469-F575 HydrophobicContact CE2-CE2 4.16Å; F469-F575 HydrophobicContact CE2-CZ 4.24Å; F469-I577 HydrophobicContact CD2-CD1 4.35Å; F469-I577 HydrophobicContact CE2-CD1 3.74Å; F469-Y586 VanDerWaalsContact CA-CE1 3.47Å; F469-Y586 HydrophobicContact CB-CD1 3.88Å; F469-Y586 HydrophobicContact CB-CE1 3.74Å; F469-Y586 HydrophobicContact CD2-CD1 4.5Å; F469-Y586 HydrophobicContact CD2-CD2 4.16Å; F469-Y586 HydrophobicContact CD2-CE1 4.36Å; F469-Y586 AromaticContact CD2-CE2 3.99Å; F469-Y586 HydrophobicContact CD2-CE2 3.99Å; F469-Y586 HydrophobicContact CD2-CG 4.4Å; F469-F591 HydrophobicContact CB-CE2 4.42Å; F469-F591 HydrophobicContact CB-CZ 4.19Å; F469-F591 HydrophobicContact CD1-CE2 4.37Å; F469-F591 HydrophobicContact CG-CE2 4.28Å; F469-F591 HydrophobicContact CG-CZ 4.49Å |
| 470 | C | 84.3 | Confident | 84.3 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 9% | 0.088 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 174.6 | -70.7 | 0 | 0 | 0 | 0 | 113.2 | F466 E467 Q468 Y473 C474 F644 | F466-C470 PolarHBondContact O-N 2.83Å; F466-C470 PolarHBondContact O-SG 2.98Å; E467-C470 PolarHBondContact O-N 3.03Å; Q468-C470 VanDerWaalsContact C-N 3.32Å; Q468-C470 PolarHBondContact O-N 2.99Å; C470-Y473 PolarHBondContact O-N 2.92Å; C470-C474 PolarHBondContact O-N 3.05Å; C470-F644 HydrophobicContact CB-CD2 4.27Å; C470-F644 HydrophobicContact CB-CE2 3.66Å; C470-F644 HydrophobicContact CB-CZ 4.08Å; C470-F644 WeakPolarHBondContact O-CZ 3.43Å |
| 471 | I | 81.9 | Confident | 84.9 | Confident | 22 Ų | 22 | 20.3 Ų | 20.3 | 11% | 0.113 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 179.3 | -69.7 | 166 | 0 | 0 | 0 | 111.3 | A456 G457 E459 E467 Q468 C474 N475 | A456-I471 HydrophobicContact CB-CD1 4.42Å; A456-I471 HydrophobicContact CB-CG1 4.43Å; A456-I471 HydrophobicContact CB-CG2 3.95Å; G457-I471 VanDerWaalsContact O-CG2 3.28Å; G457-I471 WeakPolarHBondContact O-CG2 3.43Å; E459-I471 HydrophobicContact CG-CG2 4.17Å; E467-I471 WeakPolarHBondContact O-CG1 3.25Å; E467-I471 PolarHBondContact O-N 3.23Å; Q468-I471 PolarHBondContact O-N 3.38Å; I471-C474 WeakPolarHBondContact O-CB 3.35Å; I471-C474 PolarHBondContact O-N 2.94Å; I471-N475 PolarHBondContact O-N 3.25Å; I471-N475 PolarHBondContact O-ND2 3.12Å |
| 472 | N | 87.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.9 | -38 | 178.9 | -69.7 | -14.9 | 0 | 0 | 0 | 111.2 | F458 E459 Q468 C474 N475 E476 Y586 | F458-N472 HydrophobicContact CD2-CB 4.1Å; F458-N472 WeakPolarHBondContact CD2-OD1 3.35Å; F458-N472 HydrophobicContact CE2-CB 3.62Å; F458-N472 HydrophobicContact CZ-CB 4.01Å; E459-N472 PolarHBondContact N-OD1 3.33Å; E459-N472 PolarHBondContact O-ND2 2.69Å; E459-N472 PolarHBondContact O-OD1 2.76Å; Q468-N472 VanDerWaalsContact O-CB 3.24Å; Q468-N472 WeakPolarHBondContact O-CB 3.24Å; Q468-N472 VanDerWaalsContact O-CG 3.23Å; Q468-N472 PolarHBondContact O-N 3.12Å; Q468-N472 PolarHBondContact O-ND2 2.86Å; N472-C474 VanDerWaalsContact C-N 3.35Å; N472-C474 PolarHBondContact O-N 3.49Å; N472-N475 CarbonylContact O-C 3.54Å; N472-N475 PolarHBondContact O-N 3.03Å; N472-E476 WeakPolarHBondContact O-CB 3.21Å; N472-E476 PolarHBondContact O-N 2.93Å; N472-Y586 WeakPolarHBondContact CB-OH 3.45Å; N472-Y586 PolarHBondContact ND2-OH 3.01Å |
| 473 | Y | 87.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 13.6 Ų | 13.6 | 2% | 0.024 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 170.6 | 173.7 | -124.9 | 0 | 0 | 0 | 113 | F469 C470 E476 K477 I513 V516 E517 L524 F644 | F469-Y473 VanDerWaalsContact O-CB 3.24Å; F469-Y473 WeakPolarHBondContact O-CB 3.37Å; F469-Y473 PolarHBondContact O-N 3.06Å; C470-Y473 PolarHBondContact O-N 2.92Å; Y473-E476 WeakPolarHBondContact O-CB 3.3Å; Y473-E476 PolarHBondContact O-N 3.36Å; Y473-K477 HydrophobicContact CD2-CG 4.47Å; Y473-K477 HydrophobicContact CE2-CD 4.49Å; Y473-K477 HydrophobicContact CE2-CG 3.91Å; Y473-K477 PolarHBondContact O-N 2.66Å; Y473-K477 WeakPolarHBondContact OH-CE 3.04Å; Y473-I513 HydrophobicContact CE2-CG2 4.46Å; Y473-V516 HydrophobicContact CD1-CG1 4.18Å; Y473-V516 HydrophobicContact CD2-CB 3.95Å; Y473-V516 HydrophobicContact CD2-CG1 3.56Å; Y473-V516 HydrophobicContact CD2-CG2 4.42Å; Y473-V516 HydrophobicContact CE1-CG1 4.44Å; Y473-V516 HydrophobicContact CE2-CB 4.15Å; Y473-V516 HydrophobicContact CE2-CG1 3.86Å; Y473-V516 HydrophobicContact CG-CG1 3.76Å; Y473-E517 HydrophobicContact CE2-CB 4.43Å; Y473-E517 WeakPolarHBondContact OH-CB 3.32Å; Y473-E517 WeakPolarHBondContact OH-CG 3.3Å; Y473-E517 PolarHBondContact OH-OE2 2.92Å; Y473-L524 HydrophobicContact CD1-CD1 4.41Å; Y473-L524 HydrophobicContact CE1-CD1 4.19Å; Y473-F644 AromaticContact CD1-CD1 3.84Å; Y473-F644 HydrophobicContact CD1-CD1 3.84Å; Y473-F644 AromaticContact CD1-CE1 3.54Å; Y473-F644 HydrophobicContact CD1-CE1 3.54Å; Y473-F644 HydrophobicContact CD1-CZ 4.48Å; Y473-F644 AromaticContact CE1-CD1 3.85Å; Y473-F644 HydrophobicContact CE1-CD1 3.85Å; Y473-F644 AromaticContact CE1-CE1 3.9Å; Y473-F644 HydrophobicContact CE1-CE1 3.9Å |
| 474 | C | 84.6 | Confident | 86.2 | Confident | 7 Ų | 7 | 10.9 Ų | 10.9 | 5% | 0.047 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 172.3 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | L227 C470 I471 N472 K477 L478 F644 L650 | L227-C474 HydrophobicContact CD1-CB 3.93Å; L227-C474 WeakPolarHBondContact CD1-SG 3.46Å; C470-C474 PolarHBondContact O-N 3.05Å; I471-C474 WeakPolarHBondContact O-CB 3.35Å; I471-C474 PolarHBondContact O-N 2.94Å; N472-C474 VanDerWaalsContact C-N 3.35Å; N472-C474 PolarHBondContact O-N 3.49Å; C474-K477 PolarHBondContact O-N 3.21Å; C474-L478 WeakPolarHBondContact O-CG 3.07Å; C474-L478 PolarHBondContact O-N 3.09Å; C474-F644 HydrophobicContact CB-CE1 4.42Å; C474-F644 HydrophobicContact CB-CZ 4.08Å; C474-L650 HydrophobicContact CB-CD2 4.35Å |
| 475 | N | 85.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 13.2 Ų | 13.2 | 6% | 0.059 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 176 | -79.9 | -97.1 | 0 | 0 | 0 | 111.6 | A456 F458 I471 N472 L478 Q479 F580 | A456-N475 PolarHBondContact O-ND2 3.39Å; F458-N475 HydrophobicContact CB-CB 4.46Å; F458-N475 HydrophobicContact CD2-CB 4.05Å; F458-N475 PolarHBondContact N-OD1 3.23Å; I471-N475 PolarHBondContact O-N 3.25Å; I471-N475 PolarHBondContact O-ND2 3.12Å; N472-N475 CarbonylContact O-C 3.54Å; N472-N475 PolarHBondContact O-N 3.03Å; N475-L478 PolarHBondContact O-N 3.22Å; N475-Q479 WeakPolarHBondContact O-CB 3.48Å; N475-Q479 PolarHBondContact O-N 3.18Å; N475-F580 HydrophobicContact CB-CE1 4.05Å; N475-F580 HydrophobicContact CB-CZ 4.32Å |
| 476 | E | 87.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.009 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 174.3 | -155.3 | 72.7 | -129 | 0 | 0 | 111.1 | N472 Y473 Q479 Q480 N509 C512 I513 H579 F580 | N472-E476 WeakPolarHBondContact O-CB 3.21Å; N472-E476 PolarHBondContact O-N 2.93Å; Y473-E476 WeakPolarHBondContact O-CB 3.3Å; Y473-E476 PolarHBondContact O-N 3.36Å; E476-Q479 PolarHBondContact O-N 3.33Å; E476-Q480 PolarHBondContact O-N 3.47Å; E476-N509 PolarHBondContact O-ND2 3.35Å; E476-N509 WeakPolarHBondContact OE1-CB 3.42Å; E476-N509 PolarHBondContact OE1-ND2 2.83Å; E476-C512 HydrophobicContact CG-CB 4.29Å; E476-I513 HydrophobicContact CB-CG1 4.37Å; E476-I513 HydrophobicContact CG-CG1 3.87Å; E476-H579 WeakPolarHBondContact OE2-CA 3.36Å; E476-H579 VanDerWaalsContact OE2-CB 3.27Å; E476-H579 WeakPolarHBondContact OE2-CB 3.37Å; E476-H579 IonicContact OE2-CE1 2.72Å; E476-H579 IonicContact OE2-CG 3.76Å; E476-H579 IonicContact OE2-ND1 3.64Å; E476-H579 PolarHBondContact OE2-ND1 3.06Å; E476-F580 WeakPolarHBondContact OE1-CB 3.18Å; E476-F580 WeakPolarHBondContact OE1-CD1 3.4Å; E476-F580 PolarHBondContact OE1-N 2.73Å; E476-F580 VanDerWaalsContact OE1-N 3.13Å; E476-F580 PolarHBondContact OE2-N 2.69Å |
| 477 | K | 88.4 | Confident | 86.1 | Confident | 24 Ų | 24 | 12.8 Ų | 12.8 | 10% | 0.104 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 174.8 | -80.7 | -73 | -168.7 | -179.4 | 0 | 113.2 | Y473 C474 Q480 F481 I513 E517 L650 L654 | Y473-K477 HydrophobicContact CD2-CG 4.47Å; Y473-K477 HydrophobicContact CE2-CD 4.49Å; Y473-K477 HydrophobicContact CE2-CG 3.91Å; Y473-K477 PolarHBondContact O-N 2.66Å; Y473-K477 WeakPolarHBondContact OH-CE 3.04Å; C474-K477 PolarHBondContact O-N 3.21Å; K477-Q480 PolarHBondContact O-N 3.35Å; K477-F481 PolarHBondContact O-N 3.19Å; K477-I513 HydrophobicContact CD-CD1 4.13Å; K477-I513 HydrophobicContact CD-CG1 4.36Å; K477-I513 HydrophobicContact CD-CG2 4.12Å; K477-E517 VanDerWaalsContact NZ-CD 3.33Å; K477-E517 IonicContact NZ-OE1 2.92Å; K477-E517 PolarHBondContact NZ-OE1 3.32Å; K477-E517 IonicContact NZ-OE2 2.76Å; K477-L650 HydrophobicContact CB-CD2 4.21Å; K477-L650 HydrophobicContact CG-CD2 4.13Å; K477-L654 HydrophobicContact CB-CD1 4.27Å; K477-L654 HydrophobicContact CD-CD1 4.26Å |
| 478 | L | 86.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 16.6 Ų | 16.6 | 8% | 0.079 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -74.1 | -30.6 | 178.7 | -74.2 | 165.7 | 0 | 0 | 0 | 112.5 | L453 I455 C474 N475 F482 L654 L657 | L453-L478 HydrophobicContact CD2-CD2 4.25Å; I455-L478 HydrophobicContact CD1-CD1 3.56Å; I455-L478 HydrophobicContact CG1-CD1 4.28Å; I455-L478 HydrophobicContact CG2-CD1 4.35Å; C474-L478 WeakPolarHBondContact O-CG 3.07Å; C474-L478 PolarHBondContact O-N 3.09Å; N475-L478 PolarHBondContact O-N 3.22Å; L478-F482 PolarHBondContact O-N 3.04Å; L478-L654 HydrophobicContact CD2-CD2 3.91Å; L478-L657 HydrophobicContact CD2-CD1 3.93Å |
| 479 | Q | 86.8 | Confident | 86.3 | Confident | 7 Ų | 7 | 20.1 Ų | 20.1 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.6 | -37.1 | 170.3 | -171.5 | 62.4 | 20.7 | 0 | 0 | 111.3 | N475 E476 F482 N483 F580 S691 | N475-Q479 WeakPolarHBondContact O-CB 3.48Å; N475-Q479 PolarHBondContact O-N 3.18Å; E476-Q479 PolarHBondContact O-N 3.33Å; Q479-F482 WeakPolarHBondContact O-CB 3.37Å; Q479-F482 PolarHBondContact O-N 3.39Å; Q479-N483 VanDerWaalsContact O-CG 3.24Å; Q479-N483 PolarHBondContact O-N 2.79Å; Q479-N483 PolarHBondContact O-OD1 3.05Å; Q479-F580 HydrophobicContact CB-CD1 3.96Å; Q479-F580 HydrophobicContact CB-CD2 4.46Å; Q479-F580 HydrophobicContact CB-CE1 4Å; Q479-F580 HydrophobicContact CB-CE2 4.49Å; Q479-F580 HydrophobicContact CB-CG 4.19Å; Q479-F580 HydrophobicContact CB-CZ 4.27Å; Q479-F580 HydrophobicContact CG-CB 4.37Å; Q479-F580 HydrophobicContact CG-CD1 4.2Å; Q479-F580 HydrophobicContact CG-CD2 3.96Å; Q479-F580 HydrophobicContact CG-CE2 4.28Å; Q479-F580 HydrophobicContact CG-CG 3.91Å; Q479-S691 PolarHBondContact NE2-O 3.36Å |
| 480 | Q | 89.6 | Confident | 86 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 172.8 | -178.1 | 64 | -34.5 | 0 | 0 | 112 | E476 K477 F482 N483 E484 D508 N509 I513 | E476-Q480 PolarHBondContact O-N 3.47Å; K477-Q480 PolarHBondContact O-N 3.35Å; Q480-F482 PolarHBondContact O-N 3.34Å; Q480-N483 PolarHBondContact O-N 3.11Å; Q480-N483 VanDerWaalsContact O-N 3.16Å; Q480-N483 PolarHBondContact OE1-ND2 2.62Å; Q480-E484 WeakPolarHBondContact O-CB 3.15Å; Q480-E484 WeakPolarHBondContact O-CG 3.37Å; Q480-E484 PolarHBondContact O-N 3.46Å; Q480-D508 PolarHBondContact NE2-OD1 2.89Å; Q480-D508 PolarHBondContact OE1-OD1 2.96Å; Q480-N509 WeakPolarHBondContact CA-OD1 3.48Å; Q480-N509 WeakPolarHBondContact CB-OD1 3.49Å; Q480-N509 PolarHBondContact OE1-OD1 3.46Å; Q480-N509 VanDerWaalsContact OE1-OD1 3.09Å; Q480-I513 HydrophobicContact CB-CD1 3.5Å; Q480-I513 HydrophobicContact CG-CD1 3.89Å |
| 481 | F | 89.9 | Confident | 86 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.6 | -37 | 171.6 | 171.8 | -99.4 | 0 | 0 | 0 | 112.3 | I146 K477 R485 L654 L657 R658 F664 | I146-F481 HydrophobicContact CD1-CD1 4.09Å; I146-F481 HydrophobicContact CD1-CE1 3.53Å; K477-F481 PolarHBondContact O-N 3.19Å; F481-R485 HydrophobicContact CE1-CB 4.47Å; F481-R485 HydrophobicContact CE2-CB 4.43Å; F481-R485 HydrophobicContact CZ-CB 4.25Å; F481-R485 HydrophobicContact CZ-CG 4.14Å; F481-R485 WeakPolarHBondContact O-CB 3.33Å; F481-R485 PolarHBondContact O-N 3.36Å; F481-L654 HydrophobicContact CB-CD2 4.01Å; F481-L654 HydrophobicContact CG-CD2 4.41Å; F481-L657 HydrophobicContact CD1-CD1 4.45Å; F481-L657 HydrophobicContact CE1-CB 4.14Å; F481-L657 HydrophobicContact CE1-CD1 4.39Å; F481-L657 HydrophobicContact CE2-CB 4.15Å; F481-L657 HydrophobicContact CZ-CB 3.81Å; F481-R658 HydrophobicContact CD2-CG 3.88Å; F481-R658 HydrophobicContact CE2-CB 4.4Å; F481-R658 HydrophobicContact CE2-CG 3.58Å; F481-F664 HydrophobicContact CD1-CE1 4.46Å; F481-F664 HydrophobicContact CD1-CZ 4.27Å; F481-F664 HydrophobicContact CE1-CE1 4.32Å; F481-F664 AromaticContact CE1-CZ 3.87Å; F481-F664 HydrophobicContact CE1-CZ 3.87Å |
| 482 | F | 88.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 173 | 171.1 | -93 | 0 | 0 | 0 | 112.2 | I91 L478 Q479 Q480 R485 I486 F664 R666 M693 V696 | I91-F482 HydrophobicContact CD1-CE2 3.68Å; I91-F482 HydrophobicContact CD1-CZ 3.76Å; L478-F482 PolarHBondContact O-N 3.04Å; Q479-F482 WeakPolarHBondContact O-CB 3.37Å; Q479-F482 PolarHBondContact O-N 3.39Å; Q480-F482 PolarHBondContact O-N 3.34Å; F482-R485 PolarHBondContact O-N 3.09Å; F482-I486 HydrophobicContact CD2-CG1 3.87Å; F482-I486 HydrophobicContact CE2-CB 4.35Å; F482-I486 HydrophobicContact CE2-CG1 3.81Å; F482-I486 HydrophobicContact CZ-CG1 4.43Å; F482-I486 HydrophobicContact CZ-CG2 4.47Å; F482-I486 WeakPolarHBondContact O-CB 3.44Å; F482-I486 PolarHBondContact O-N 3.02Å; F482-F664 HydrophobicContact CB-CE1 4.16Å; F482-F664 HydrophobicContact CB-CZ 4.37Å; F482-F664 AromaticContact CD2-CD1 3.72Å; F482-F664 HydrophobicContact CD2-CD1 3.72Å; F482-F664 HydrophobicContact CD2-CD2 4.1Å; F482-F664 AromaticContact CD2-CE1 3.71Å; F482-F664 HydrophobicContact CD2-CE1 3.71Å; F482-F664 HydrophobicContact CD2-CE2 4.1Å; F482-F664 AromaticContact CD2-CG 3.91Å; F482-F664 HydrophobicContact CD2-CG 3.91Å; F482-F664 AromaticContact CD2-CZ 3.9Å; F482-F664 HydrophobicContact CD2-CZ 3.9Å; F482-F664 HydrophobicContact CE2-CB 4.49Å; F482-F664 HydrophobicContact CE2-CD1 4.35Å; F482-F664 HydrophobicContact CE2-CD2 4.32Å; F482-F664 HydrophobicContact CE2-CG 4.15Å; F482-F664 HydrophobicContact CG-CE1 4.44Å; F482-R666 VanDerWaalsContact CD2-NH2 3.27Å; F482-M693 HydrophobicContact CE1-CE 4.25Å; F482-M693 HydrophobicContact CE2-CE 4.17Å; F482-M693 HydrophobicContact CZ-CE 3.49Å; F482-M693 VanDerWaalsContact CZ-CE 3.49Å; F482-V696 HydrophobicContact CE1-CG2 4.1Å; F482-V696 HydrophobicContact CZ-CG2 3.74Å |
| 483 | N | 86.8 | Confident | 85.9 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -59.9 | -47.8 | 176.2 | -66 | -17.2 | 0 | 0 | 0 | 111.2 | Q479 Q480 R485 L487 K488 Y506 N509 | Q479-N483 VanDerWaalsContact O-CG 3.24Å; Q479-N483 PolarHBondContact O-N 2.79Å; Q479-N483 PolarHBondContact O-OD1 3.05Å; Q480-N483 PolarHBondContact O-N 3.11Å; Q480-N483 VanDerWaalsContact O-N 3.16Å; Q480-N483 PolarHBondContact OE1-ND2 2.62Å; N483-R485 PolarHBondContact O-N 2.91Å; N483-L487 HydrophobicContact CB-CD1 4.44Å; N483-L487 WeakPolarHBondContact O-CA 3.35Å; N483-L487 VanDerWaalsContact O-CB 3.29Å; N483-L487 WeakPolarHBondContact O-CB 3.27Å; N483-L487 PolarHBondContact O-N 3.45Å; N483-K488 PolarHBondContact O-N 2.94Å; N483-Y506 HydrophobicContact CB-CD2 4.33Å; N483-Y506 HydrophobicContact CB-CE2 3.95Å; N483-N509 PolarHBondContact ND2-OD1 3.06Å |
| 484 | E | 86.9 | Confident | 85.8 | Confident | 46 Ų | 46 | 24.8 Ų | 24.8 | 22% | 0.215 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -53.5 | -53.8 | 172.5 | -73.9 | 179.9 | 163.4 | 0 | 0 | 111.3 | Q480 K488 E489 R658 | Q480-E484 WeakPolarHBondContact O-CB 3.15Å; Q480-E484 WeakPolarHBondContact O-CG 3.37Å; Q480-E484 PolarHBondContact O-N 3.46Å; E484-K488 WeakPolarHBondContact O-CB 3.45Å; E484-K488 PolarHBondContact O-N 3.27Å; E484-E489 WeakPolarHBondContact O-CG 3.41Å; E484-E489 PolarHBondContact O-N 3.12Å; E484-R658 IonicContact OE1-CZ 2.68Å; E484-R658 IonicContact OE1-NH2 3.76Å; E484-R658 PolarHBondContact OE1-NH2 3.29Å; E484-R658 IonicContact OE2-CZ 3.77Å; E484-R658 IonicContact OE2-NE 3.84Å; E484-R658 PolarHBondContact OE2-NE 3.19Å; E484-R658 IonicContact OE2-NH2 3.19Å; E484-R658 PolarHBondContact OE2-NH2 3.21Å |
| 485 | R | 86.8 | Confident | 85.9 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 19% | 0.185 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -79.6 | -26.8 | -167.4 | -170.6 | 53.6 | 148.4 | -169.6 | -13 | 114.9 | F481 F482 N483 E489 T660 S662 F664 | F481-R485 HydrophobicContact CE1-CB 4.47Å; F481-R485 HydrophobicContact CE2-CB 4.43Å; F481-R485 HydrophobicContact CZ-CB 4.25Å; F481-R485 HydrophobicContact CZ-CG 4.14Å; F481-R485 WeakPolarHBondContact O-CB 3.33Å; F481-R485 PolarHBondContact O-N 3.36Å; F482-R485 PolarHBondContact O-N 3.09Å; N483-R485 PolarHBondContact O-N 2.91Å; R485-E489 WeakPolarHBondContact CD-OE1 3.14Å; R485-E489 VanDerWaalsContact CD-OE2 3.31Å; R485-E489 WeakPolarHBondContact CD-OE2 3.43Å; R485-E489 IonicContact CZ-OE1 3.35Å; R485-E489 IonicContact CZ-OE2 3.59Å; R485-E489 IonicContact NE-OE1 2.67Å; R485-E489 IonicContact NE-OE2 3.18Å; R485-E489 IonicContact NH1-OE1 2.73Å; R485-E489 PolarHBondContact NH1-OE1 3.38Å; R485-E489 IonicContact NH1-OE2 3.34Å; R485-E489 PolarHBondContact NH1-OE2 2.98Å; R485-T660 PolarHBondContact NH2-O 3.48Å; R485-S662 PolarHBondContact NE-OG 2.84Å; R485-F664 HydrophobicContact CG-CE2 4.42Å |
| 486 | I | 84.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -106.9 | -37 | -177.8 | -62.7 | -61.7 | 0 | 0 | 0 | 112.3 | I91 F482 E490 F664 V696 L699 | I91-I486 HydrophobicContact CD1-CG2 4.47Å; F482-I486 HydrophobicContact CD2-CG1 3.87Å; F482-I486 HydrophobicContact CE2-CB 4.35Å; F482-I486 HydrophobicContact CE2-CG1 3.81Å; F482-I486 HydrophobicContact CZ-CG1 4.43Å; F482-I486 HydrophobicContact CZ-CG2 4.47Å; F482-I486 WeakPolarHBondContact O-CB 3.44Å; F482-I486 PolarHBondContact O-N 3.02Å; I486-E490 VanDerWaalsContact O-CB 3.23Å; I486-E490 WeakPolarHBondContact O-CB 3.36Å; I486-F664 HydrophobicContact CD1-CD2 3.86Å; I486-F664 HydrophobicContact CD1-CE2 3.7Å; I486-F664 HydrophobicContact CG1-CD2 3.97Å; I486-F664 HydrophobicContact CG1-CE2 3.65Å; I486-F664 HydrophobicContact CG1-CZ 4.43Å; I486-V696 HydrophobicContact CG2-CG1 4.38Å; I486-V696 HydrophobicContact CG2-CG2 3.73Å; I486-L699 WeakPolarHBondContact O-CD2 3.26Å |
| 487 | L | 83.1 | Confident | 85.8 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -97.7 | -51.8 | -174.2 | -52.4 | 175.2 | 0 | 0 | 0 | 111.5 | N483 Q491 Y506 V696 L699 | N483-L487 HydrophobicContact CB-CD1 4.44Å; N483-L487 WeakPolarHBondContact O-CA 3.35Å; N483-L487 VanDerWaalsContact O-CB 3.29Å; N483-L487 WeakPolarHBondContact O-CB 3.27Å; N483-L487 PolarHBondContact O-N 3.45Å; L487-Q491 VanDerWaalsContact O-CG 3.25Å; L487-Q491 WeakPolarHBondContact O-CG 3.37Å; L487-Q491 PolarHBondContact O-N 3.29Å; L487-Q491 PolarHBondContact O-NE2 2.99Å; L487-Y506 HydrophobicContact CB-CD1 3.76Å; L487-Y506 HydrophobicContact CB-CE1 3.95Å; L487-Y506 HydrophobicContact CB-CG 4.16Å; L487-Y506 HydrophobicContact CD1-CD1 4.03Å; L487-Y506 HydrophobicContact CD1-CD2 3.82Å; L487-Y506 HydrophobicContact CD1-CG 3.53Å; L487-Y506 HydrophobicContact CG-CG 4.47Å; L487-V696 HydrophobicContact CD2-CG2 3.83Å; L487-L699 HydrophobicContact CB-CD2 4.4Å; L487-L699 HydrophobicContact CD2-CB 4.36Å; L487-L699 HydrophobicContact CD2-CD2 3.68Å |
| 488 | K | 84.1 | Confident | 85.6 | Confident | 99 Ų | 99 | 39.5 Ų | 39.5 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -75.3 | -54.1 | -175 | -172.8 | 175 | 179.8 | 172.2 | 0 | 113 | N483 E484 E490 Q491 E492 | N483-K488 PolarHBondContact O-N 2.94Å; E484-K488 WeakPolarHBondContact O-CB 3.45Å; E484-K488 PolarHBondContact O-N 3.27Å; K488-E490 VanDerWaalsContact C-N 3.25Å; K488-E490 PolarHBondContact O-N 3.44Å; K488-Q491 PolarHBondContact O-N 2.88Å; K488-E492 PolarHBondContact O-N 3.07Å |
| 489 | E | 82.9 | Confident | 85.5 | Confident | 83 Ų | 83 | 39.3 Ų | 39.3 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60 | -33.6 | 180 | -79.6 | -171.1 | -158.4 | 0 | 0 | 113.2 | E484 R485 L493 | E484-E489 WeakPolarHBondContact O-CG 3.41Å; E484-E489 PolarHBondContact O-N 3.12Å; R485-E489 WeakPolarHBondContact CD-OE1 3.14Å; R485-E489 VanDerWaalsContact CD-OE2 3.31Å; R485-E489 WeakPolarHBondContact CD-OE2 3.43Å; R485-E489 IonicContact CZ-OE1 3.35Å; R485-E489 IonicContact CZ-OE2 3.59Å; R485-E489 IonicContact NE-OE1 2.67Å; R485-E489 IonicContact NE-OE2 3.18Å; R485-E489 IonicContact NH1-OE1 2.73Å; R485-E489 PolarHBondContact NH1-OE1 3.38Å; R485-E489 IonicContact NH1-OE2 3.34Å; R485-E489 PolarHBondContact NH1-OE2 2.98Å; E489-L493 WeakPolarHBondContact O-CB 3.46Å; E489-L493 PolarHBondContact O-N 3.2Å |
| 490 | E | 80.8 | Confident | 85.1 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.6 | -42.1 | -179.9 | -167.6 | 65.7 | -156.8 | 0 | 0 | 111.2 | I486 K488 L493 Y494 L699 R707 | I486-E490 VanDerWaalsContact O-CB 3.23Å; I486-E490 WeakPolarHBondContact O-CB 3.36Å; K488-E490 VanDerWaalsContact C-N 3.25Å; K488-E490 PolarHBondContact O-N 3.44Å; E490-L493 WeakPolarHBondContact O-CB 3.27Å; E490-L493 PolarHBondContact O-N 2.86Å; E490-Y494 HydrophobicContact CG-CE1 4.02Å; E490-Y494 HydrophobicContact CG-CE2 4.13Å; E490-Y494 WeakPolarHBondContact CG-OH 3.44Å; E490-Y494 WeakPolarHBondContact O-CD1 3.36Å; E490-Y494 PolarHBondContact O-N 3.23Å; E490-Y494 WeakPolarHBondContact OE1-CE1 3.47Å; E490-Y494 VanDerWaalsContact OE1-CZ 3.31Å; E490-Y494 PolarHBondContact OE1-OH 3.1Å; E490-L699 HydrophobicContact CB-CD2 4.37Å; E490-R707 IonicContact OE1-CZ 2.91Å; E490-R707 IonicContact OE1-NH1 2.71Å; E490-R707 PolarHBondContact OE1-NH1 3.18Å; E490-R707 IonicContact OE1-NH2 3.57Å; E490-R707 IonicContact OE2-CZ 2.7Å; E490-R707 IonicContact OE2-NH1 2.72Å; E490-R707 PolarHBondContact OE2-NH1 3.13Å; E490-R707 IonicContact OE2-NH2 3.54Å; E490-R707 PolarHBondContact OE2-NH2 3.12Å |
| 491 | Q | 83.8 | Confident | 84.7 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 173 | -70.5 | -175.2 | 74.5 | 0 | 0 | 111.9 | L487 K488 L493 Y494 Q495 V504 L699 | L487-Q491 VanDerWaalsContact O-CG 3.25Å; L487-Q491 WeakPolarHBondContact O-CG 3.37Å; L487-Q491 PolarHBondContact O-N 3.29Å; L487-Q491 PolarHBondContact O-NE2 2.99Å; K488-Q491 PolarHBondContact O-N 2.88Å; Q491-L493 PolarHBondContact O-N 3.21Å; Q491-Y494 PolarHBondContact O-N 2.91Å; Q491-Y494 VanDerWaalsContact O-N 3.08Å; Q491-Q495 WeakPolarHBondContact O-CG 3.4Å; Q491-Q495 PolarHBondContact O-N 3.12Å; Q491-V504 PolarHBondContact NE2-O 2.99Å; Q491-V504 VanDerWaalsContact NE2-O 3.1Å; Q491-L699 HydrophobicContact CG-CD1 3.61Å |
| 492 | E | 85 | Confident | 84 | Confident | 79 Ų | 79 | 49.3 Ų | 49.3 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -37.4 | 171.4 | -78.5 | -171.9 | -154.4 | 0 | 0 | 111.9 | K488 R496 | K488-E492 PolarHBondContact O-N 3.07Å; E492-R496 WeakPolarHBondContact O-CB 3.18Å; E492-R496 PolarHBondContact O-N 3.01Å; E492-R496 IonicContact OE2-NH2 2.79Å; E492-R496 PolarHBondContact OE2-NH2 2.92Å; E492-R496 VanDerWaalsContact OE2-NH2 3.14Å |
| 493 | L | 82.7 | Confident | 83.5 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 175 | -174 | 71 | 0 | 0 | 0 | 112 | E489 E490 Q491 Q495 R496 E497 F756 | E489-L493 WeakPolarHBondContact O-CB 3.46Å; E489-L493 PolarHBondContact O-N 3.2Å; E490-L493 WeakPolarHBondContact O-CB 3.27Å; E490-L493 PolarHBondContact O-N 2.86Å; Q491-L493 PolarHBondContact O-N 3.21Å; L493-Q495 VanDerWaalsContact C-N 3.29Å; L493-Q495 PolarHBondContact O-N 3.26Å; L493-R496 PolarHBondContact O-N 2.9Å; L493-E497 HydrophobicContact CD1-CG 3.97Å; L493-E497 HydrophobicContact CG-CG 4.22Å; L493-E497 WeakPolarHBondContact O-CB 3.47Å; L493-E497 PolarHBondContact O-N 2.87Å; L493-F756 HydrophobicContact CD2-CE1 4.02Å; L493-F756 HydrophobicContact CD2-CZ 3.87Å; L493-F756 HydrophobicContact CG-CZ 4.18Å |
| 494 | Y | 86.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 177.8 | -63.9 | -12.8 | 0 | 0 | 0 | 112.1 | E490 Q491 G498 L499 V501 L699 F704 F756 | E490-Y494 HydrophobicContact CG-CE1 4.02Å; E490-Y494 HydrophobicContact CG-CE2 4.13Å; E490-Y494 WeakPolarHBondContact CG-OH 3.44Å; E490-Y494 WeakPolarHBondContact O-CD1 3.36Å; E490-Y494 PolarHBondContact O-N 3.23Å; E490-Y494 WeakPolarHBondContact OE1-CE1 3.47Å; E490-Y494 VanDerWaalsContact OE1-CZ 3.31Å; E490-Y494 PolarHBondContact OE1-OH 3.1Å; Q491-Y494 PolarHBondContact O-N 2.91Å; Q491-Y494 VanDerWaalsContact O-N 3.08Å; Y494-G498 PolarHBondContact O-N 2.92Å; Y494-L499 HydrophobicContact CD1-CD1 3.58Å; Y494-L499 HydrophobicContact CE1-CD1 4.28Å; Y494-L499 HydrophobicContact CG-CD1 4.02Å; Y494-L499 PolarHBondContact O-N 2.89Å; Y494-V501 HydrophobicContact CD2-CB 3.97Å; Y494-V501 HydrophobicContact CD2-CG1 3.93Å; Y494-V501 HydrophobicContact CD2-CG2 3.96Å; Y494-V501 HydrophobicContact CE2-CG1 4.42Å; Y494-V501 HydrophobicContact CG-CB 4.48Å; Y494-V501 HydrophobicContact CG-CG2 4.25Å; Y494-L699 HydrophobicContact CE2-CD1 4.46Å; Y494-F704 PolarHBondContact OH-N 3.14Å; Y494-F704 VanDerWaalsContact OH-N 3.1Å; Y494-F704 PolarHBondContact OH-O 2.83Å; Y494-F756 HydrophobicContact CD1-CD1 4.44Å; Y494-F756 HydrophobicContact CD1-CE1 4.08Å; Y494-F756 HydrophobicContact CE1-CD1 4.11Å; Y494-F756 AromaticContact CE1-CE1 3.91Å; Y494-F756 HydrophobicContact CE1-CE1 3.91Å |
| 495 | Q | 86.2 | Confident | 82.2 | Confident | 125 Ų | 125 | 62.7 Ų | 62.7 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65 | -51 | 170.4 | -66 | 178 | 10 | 0 | 0 | 111.1 | Q491 L493 E497 G498 | Q491-Q495 WeakPolarHBondContact O-CG 3.4Å; Q491-Q495 PolarHBondContact O-N 3.12Å; L493-Q495 VanDerWaalsContact C-N 3.29Å; L493-Q495 PolarHBondContact O-N 3.26Å; Q495-E497 PolarHBondContact O-N 3.19Å; Q495-G498 WeakPolarHBondContact O-CA 3.38Å; Q495-G498 PolarHBondContact O-N 2.89Å |
| 496 | R | 86 | Confident | 81.6 | Confident | 156 Ų | 156 | 62.9 Ų | 62.9 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.7 | -34.8 | -178 | -170.1 | -175.4 | -51.5 | 174.9 | 5.1 | 113.9 | E492 L493 G498 L752 | E492-R496 WeakPolarHBondContact O-CB 3.18Å; E492-R496 PolarHBondContact O-N 3.01Å; E492-R496 IonicContact OE2-NH2 2.79Å; E492-R496 PolarHBondContact OE2-NH2 2.92Å; E492-R496 VanDerWaalsContact OE2-NH2 3.14Å; L493-R496 PolarHBondContact O-N 2.9Å; R496-G498 VanDerWaalsContact C-N 3.33Å; R496-L752 WeakPolarHBondContact O-CD1 3.49Å |
| 497 | E | 85.9 | Confident | 81 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -4 | 174.8 | -73.7 | -80.3 | 133.1 | 0 | 0 | 113.1 | L493 Q495 L499 G751 L752 T753 K754 F756 | L493-E497 HydrophobicContact CD1-CG 3.97Å; L493-E497 HydrophobicContact CG-CG 4.22Å; L493-E497 WeakPolarHBondContact O-CB 3.47Å; L493-E497 PolarHBondContact O-N 2.87Å; Q495-E497 PolarHBondContact O-N 3.19Å; E497-L499 HydrophobicContact CB-CD2 4.31Å; E497-L499 HydrophobicContact CB-CG 4.23Å; E497-G751 WeakPolarHBondContact O-CA 3.47Å; E497-G751 VanDerWaalsContact OE2-C 3.29Å; E497-G751 VanDerWaalsContact OE2-CA 3.3Å; E497-G751 WeakPolarHBondContact OE2-CA 3.2Å; E497-L752 PolarHBondContact O-N 2.89Å; E497-L752 PolarHBondContact OE2-N 3.29Å; E497-T753 WeakPolarHBondContact OE1-CB 3.42Å; E497-T753 WeakPolarHBondContact OE1-CG2 3.24Å; E497-T753 PolarHBondContact OE1-N 2.97Å; E497-T753 PolarHBondContact OE1-OG1 2.92Å; E497-T753 PolarHBondContact OE2-N 2.88Å; E497-K754 PolarHBondContact OE2-N 3.3Å; E497-K754 VanDerWaalsContact OE2-N 3.11Å; E497-F756 HydrophobicContact CB-CE2 3.82Å; E497-F756 HydrophobicContact CB-CZ 4.16Å; E497-F756 HydrophobicContact CG-CE2 3.74Å; E497-F756 HydrophobicContact CG-CZ 3.86Å |
| 498 | G | 84.8 | Confident | 81.1 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 62% | 0.619 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 34.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y494 Q495 R496 | Y494-G498 PolarHBondContact O-N 2.92Å; Q495-G498 WeakPolarHBondContact O-CA 3.38Å; Q495-G498 PolarHBondContact O-N 2.89Å; R496-G498 VanDerWaalsContact C-N 3.33Å |
| 499 | L | 83.9 | Confident | 81.3 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | trans | -76.1 | -24.9 | -172 | -58.6 | -174.4 | 0 | 0 | 0 | 114.1 | Y494 E497 V501 F704 K749 F756 | Y494-L499 HydrophobicContact CD1-CD1 3.58Å; Y494-L499 HydrophobicContact CE1-CD1 4.28Å; Y494-L499 HydrophobicContact CG-CD1 4.02Å; Y494-L499 PolarHBondContact O-N 2.89Å; E497-L499 HydrophobicContact CB-CD2 4.31Å; E497-L499 HydrophobicContact CB-CG 4.23Å; L499-V501 HydrophobicContact CB-CG2 4.05Å; L499-F704 HydrophobicContact CD1-CD2 4.22Å; L499-K749 HydrophobicContact CB-CD 4.36Å; L499-K749 HydrophobicContact CD2-CB 4.09Å; L499-K749 VanDerWaalsContact O-CD 3.27Å; L499-K749 WeakPolarHBondContact O-CD 3.47Å; L499-K749 WeakPolarHBondContact O-CE 3.33Å; L499-K749 PolarHBondContact O-NZ 3.23Å; L499-F756 HydrophobicContact CD1-CB 4.11Å; L499-F756 HydrophobicContact CD1-CD1 3.77Å; L499-F756 HydrophobicContact CD1-CD2 3.75Å; L499-F756 HydrophobicContact CD1-CE1 4.05Å; L499-F756 HydrophobicContact CD1-CE2 4.03Å; L499-F756 HydrophobicContact CD1-CG 3.6Å; L499-F756 HydrophobicContact CD1-CZ 4.17Å; L499-F756 HydrophobicContact CD2-CD2 3.71Å; L499-F756 HydrophobicContact CD2-CE2 4.14Å; L499-F756 HydrophobicContact CD2-CG 4.25Å; L499-F756 HydrophobicContact CG-CD2 4.3Å; L499-F756 HydrophobicContact CG-CE2 4.47Å | ||
| 500 | G | 79.3 | Confident | 81.7 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 63% | 0.629 | 35% | 0.345 | S | S | * | . | trans | 60.6 | 67.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K749 | G500-K749 PolarHBondContact O-NZ 2.81Š| ||
| 501 | V | 79.9 | Confident | 82.2 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | trans | -108.8 | 143.8 | 167.7 | 179.2 | 0 | 0 | 0 | 0 | 105.9 | Y494 L499 F704 | Y494-V501 HydrophobicContact CD2-CB 3.97Å; Y494-V501 HydrophobicContact CD2-CG1 3.93Å; Y494-V501 HydrophobicContact CD2-CG2 3.96Å; Y494-V501 HydrophobicContact CE2-CG1 4.42Å; Y494-V501 HydrophobicContact CG-CB 4.48Å; Y494-V501 HydrophobicContact CG-CG2 4.25Å; L499-V501 HydrophobicContact CB-CG2 4.05Å; V501-F704 HydrophobicContact CG2-CD2 3.89Å; V501-F704 HydrophobicContact CG2-CE2 3.73Å | ||
| 502 | N | 74.9 | Confident | 82.6 | Confident | 139 Ų | 139 | 65.1 Ų | 65.1 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | trans | -66.3 | 151.3 | 177.3 | -64.8 | 5.4 | 0 | 0 | 0 | 110.1 | ||||
| 503 | E | 77.9 | Confident | 82.9 | Confident | 138 Ų | 138 | 61.3 Ų | 61.3 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | trans | -70.2 | 140.7 | 169.4 | -159.2 | 165.4 | 160.8 | 0 | 0 | 109.4 | ||||
| 504 | V | 75 | Confident | 83.4 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 17% | 0.17 | 34% | 0.342 | C | S | . | . | trans | -117.6 | 108 | -176.1 | 178 | 0 | 0 | 0 | 0 | 107.6 | Q491 Y506 D698 L699 | Q491-V504 PolarHBondContact NE2-O 2.99Å; Q491-V504 VanDerWaalsContact NE2-O 3.1Å; V504-Y506 PolarHBondContact O-N 3.38Å; V504-D698 HydrophobicContact CG1-CB 4.29Å; V504-L699 HydrophobicContact CB-CD1 4.14Å; V504-L699 HydrophobicContact CG1-CB 4.3Å; V504-L699 HydrophobicContact CG2-CD1 3.96Å | ||
| 505 | H | 71.4 | Confident | 83.8 | Confident | 170 Ų | 170 | 63.5 Ų | 63.5 | 79% | 0.787 | 34% | 0.342 | S | S | * | . | trans | -64.7 | 130.6 | 175.1 | -66.6 | -68.5 | 0 | 0 | 0 | 110.2 | ||||
| 506 | Y | 75.9 | Confident | 84.1 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | trans | -128.9 | 160.5 | 173.2 | 65.4 | -93.3 | 0 | 0 | 0 | 109.4 | N483 L487 V504 D508 | N483-Y506 HydrophobicContact CB-CD2 4.33Å; N483-Y506 HydrophobicContact CB-CE2 3.95Å; L487-Y506 HydrophobicContact CB-CD1 3.76Å; L487-Y506 HydrophobicContact CB-CE1 3.95Å; L487-Y506 HydrophobicContact CB-CG 4.16Å; L487-Y506 HydrophobicContact CD1-CD1 4.03Å; L487-Y506 HydrophobicContact CD1-CD2 3.82Å; L487-Y506 HydrophobicContact CD1-CG 3.53Å; L487-Y506 HydrophobicContact CG-CG 4.47Å; V504-Y506 PolarHBondContact O-N 3.38Å; Y506-D508 HydrophobicContact CE2-CB 4.03Å; Y506-D508 PolarHBondContact O-N 3.36Å; Y506-D508 VanDerWaalsContact O-N 3.08Å | ||
| 507 | V | 72.4 | Confident | 84.2 | Confident | 111 Ų | 111 | 52 Ų | 52 | 67% | 0.673 | 30% | 0.295 | S | S | * | . | trans | -77.3 | 97.1 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 508 | D | 83.2 | Confident | 84.4 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | trans | -62.8 | 146.7 | 165.1 | -156.2 | -50.5 | 0 | 0 | 0 | 109.6 | Q480 Y506 Q510 R554 | Q480-D508 PolarHBondContact NE2-OD1 2.89Å; Q480-D508 PolarHBondContact OE1-OD1 2.96Å; Y506-D508 HydrophobicContact CE2-CB 4.03Å; Y506-D508 PolarHBondContact O-N 3.36Å; Y506-D508 VanDerWaalsContact O-N 3.08Å; D508-Q510 VanDerWaalsContact OD1-CB 3.26Å; D508-Q510 WeakPolarHBondContact OD1-CB 3.36Å; D508-Q510 PolarHBondContact OD1-N 3.23Å; D508-R554 PolarHBondContact O-NH2 2.69Å | ||
| 509 | N | 88.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | trans | -124.9 | 14.7 | 179.4 | 69.7 | -39.8 | 0 | 0 | 0 | 113.2 | E476 Q480 N483 D511 C512 I513 | E476-N509 PolarHBondContact O-ND2 3.35Å; E476-N509 WeakPolarHBondContact OE1-CB 3.42Å; E476-N509 PolarHBondContact OE1-ND2 2.83Å; Q480-N509 WeakPolarHBondContact CA-OD1 3.48Å; Q480-N509 WeakPolarHBondContact CB-OD1 3.49Å; Q480-N509 PolarHBondContact OE1-OD1 3.46Å; Q480-N509 VanDerWaalsContact OE1-OD1 3.09Å; N483-N509 PolarHBondContact ND2-OD1 3.06Å; N509-D511 PolarHBondContact O-N 2.78Å; N509-C512 PolarHBondContact O-N 3.25Å; N509-C512 VanDerWaalsContact O-N 3.13Å; N509-I513 PolarHBondContact O-N 3.19Å; N509-I513 VanDerWaalsContact O-N 3.16Å | ||
| 510 | Q | 90.8 | Very high | 84.4 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.9 | -35.7 | 171.6 | -170.8 | 57.2 | 44.9 | 0 | 0 | 112.6 | D508 C512 I513 D514 | D508-Q510 VanDerWaalsContact OD1-CB 3.26Å; D508-Q510 WeakPolarHBondContact OD1-CB 3.36Å; D508-Q510 PolarHBondContact OD1-N 3.23Å; Q510-C512 VanDerWaalsContact C-N 3.34Å; Q510-C512 PolarHBondContact O-N 3.45Å; Q510-I513 CarbonylContact O-C 3.58Å; Q510-I513 WeakPolarHBondContact O-CB 3.49Å; Q510-I513 PolarHBondContact O-N 2.87Å; Q510-I513 VanDerWaalsContact O-N 3.15Å; Q510-D514 PolarHBondContact NE2-OD1 3.19Å; Q510-D514 WeakPolarHBondContact O-CB 3.49Å; Q510-D514 VanDerWaalsContact O-CG 3.28Å; Q510-D514 PolarHBondContact O-N 3.28Å |
| 511 | D | 92.3 | Very high | 84.8 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 178.4 | 72.5 | -56.6 | 0 | 0 | 0 | 112.5 | N509 I513 L515 F553 R554 | N509-D511 PolarHBondContact O-N 2.78Å; D511-I513 VanDerWaalsContact C-N 3.34Å; D511-L515 WeakPolarHBondContact O-CB 3.42Å; D511-L515 PolarHBondContact O-N 3.48Å; D511-F553 WeakPolarHBondContact OD2-CE1 3.48Å; D511-F553 WeakPolarHBondContact OD2-CZ 2.97Å; D511-R554 IonicContact OD1-CZ 3.88Å; D511-R554 IonicContact OD1-NE 2.73Å; D511-R554 PolarHBondContact OD1-NE 2.84Å; D511-R554 IonicContact OD1-NH2 3.82Å; D511-R554 PolarHBondContact OD1-NH2 2.63Å; D511-R554 WeakPolarHBondContact OD2-CD 3.44Å; D511-R554 WeakPolarHBondContact OD2-CG 3.36Å; D511-R554 IonicContact OD2-CZ 2.85Å; D511-R554 IonicContact OD2-NE 3.43Å; D511-R554 PolarHBondContact OD2-NE 2.69Å; D511-R554 IonicContact OD2-NH2 2.65Å |
| 512 | C | 92.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.3 | -30.1 | 174 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | E476 N509 Q510 R554 | E476-C512 HydrophobicContact CG-CB 4.29Å; N509-C512 PolarHBondContact O-N 3.25Å; N509-C512 VanDerWaalsContact O-N 3.13Å; Q510-C512 VanDerWaalsContact C-N 3.34Å; Q510-C512 PolarHBondContact O-N 3.45Å; C512-R554 HydrophobicContact CB-CG 4.4Å |
| 513 | I | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70 | -46.7 | 172.5 | -73.1 | 162.1 | 0 | 0 | 0 | 110.3 | Y473 E476 K477 Q480 N509 Q510 D511 L515 V516 E517 | Y473-I513 HydrophobicContact CE2-CG2 4.46Å; E476-I513 HydrophobicContact CB-CG1 4.37Å; E476-I513 HydrophobicContact CG-CG1 3.87Å; K477-I513 HydrophobicContact CD-CD1 4.13Å; K477-I513 HydrophobicContact CD-CG1 4.36Å; K477-I513 HydrophobicContact CD-CG2 4.12Å; Q480-I513 HydrophobicContact CB-CD1 3.5Å; Q480-I513 HydrophobicContact CG-CD1 3.89Å; N509-I513 PolarHBondContact O-N 3.19Å; N509-I513 VanDerWaalsContact O-N 3.16Å; Q510-I513 CarbonylContact O-C 3.58Å; Q510-I513 WeakPolarHBondContact O-CB 3.49Å; Q510-I513 PolarHBondContact O-N 2.87Å; Q510-I513 VanDerWaalsContact O-N 3.15Å; D511-I513 VanDerWaalsContact C-N 3.34Å; I513-L515 PolarHBondContact O-N 2.79Å; I513-V516 PolarHBondContact O-N 2.96Å; I513-E517 HydrophobicContact CG2-CG 3.94Å; I513-E517 WeakPolarHBondContact O-CG 3.44Å; I513-E517 PolarHBondContact O-N 3.3Å |
| 514 | D | 92.6 | Very high | 86.8 | Confident | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | -179.1 | -70.5 | -14.6 | 0 | 0 | 0 | 111.5 | Q510 V516 E517 A518 | Q510-D514 PolarHBondContact NE2-OD1 3.19Å; Q510-D514 WeakPolarHBondContact O-CB 3.49Å; Q510-D514 VanDerWaalsContact O-CG 3.28Å; Q510-D514 PolarHBondContact O-N 3.28Å; D514-V516 PolarHBondContact O-N 3.35Å; D514-E517 PolarHBondContact O-N 3.22Å; D514-A518 WeakPolarHBondContact O-CA 3.43Å; D514-A518 WeakPolarHBondContact O-CB 3.41Å; D514-A518 PolarHBondContact O-N 3.5Å |
| 515 | L | 93.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.1 | -36.8 | 169.7 | 175.9 | 62.6 | 0 | 0 | 0 | 112.4 | D511 I513 G522 I523 H549 R554 L555 I577 | D511-L515 WeakPolarHBondContact O-CB 3.42Å; D511-L515 PolarHBondContact O-N 3.48Å; I513-L515 PolarHBondContact O-N 2.79Å; L515-G522 CarbonylContact O-C 3.56Å; L515-G522 VanDerWaalsContact O-CA 3.3Å; L515-G522 WeakPolarHBondContact O-CA 3.41Å; L515-I523 HydrophobicContact CD1-CD1 4.17Å; L515-I523 HydrophobicContact CD1-CG1 4.44Å; L515-I523 HydrophobicContact CD2-CD1 4.47Å; L515-I523 HydrophobicContact CG-CD1 3.96Å; L515-I523 WeakPolarHBondContact O-CG1 3.27Å; L515-I523 PolarHBondContact O-N 2.86Å; L515-H549 HydrophobicContact CD1-CB 4.1Å; L515-R554 HydrophobicContact CD2-CB 3.88Å; L515-L555 HydrophobicContact CD2-CB 4.24Å; L515-I577 HydrophobicContact CD2-CG1 4.49Å; L515-I577 HydrophobicContact CD2-CG2 4.38Å |
| 516 | V | 91.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -85.4 | -43.5 | -179.8 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | F469 Y473 I513 D514 G522 I523 L524 | F469-V516 HydrophobicContact CE1-CG1 4.22Å; F469-V516 HydrophobicContact CE2-CG2 4.15Å; F469-V516 HydrophobicContact CZ-CG1 3.8Å; F469-V516 HydrophobicContact CZ-CG2 4.05Å; Y473-V516 HydrophobicContact CD1-CG1 4.18Å; Y473-V516 HydrophobicContact CD2-CB 3.95Å; Y473-V516 HydrophobicContact CD2-CG1 3.56Å; Y473-V516 HydrophobicContact CD2-CG2 4.42Å; Y473-V516 HydrophobicContact CE1-CG1 4.44Å; Y473-V516 HydrophobicContact CE2-CB 4.15Å; Y473-V516 HydrophobicContact CE2-CG1 3.86Å; Y473-V516 HydrophobicContact CG-CG1 3.76Å; I513-V516 PolarHBondContact O-N 2.96Å; D514-V516 PolarHBondContact O-N 3.35Å; V516-G522 CarbonylContact O-C 3.55Å; V516-I523 PolarHBondContact O-N 2.97Å; V516-L524 HydrophobicContact CG1-CD1 3.81Å; V516-L524 HydrophobicContact CG1-CG 3.96Å; V516-L524 PolarHBondContact O-N 3.22Å; V516-L524 VanDerWaalsContact O-N 3.08Å |
| 517 | E | 89.4 | Confident | 89.2 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -116.9 | 2.3 | -169.1 | 81.1 | 150.7 | -177 | 0 | 0 | 117.5 | Y473 K477 I513 D514 K645 | Y473-E517 HydrophobicContact CE2-CB 4.43Å; Y473-E517 WeakPolarHBondContact OH-CB 3.32Å; Y473-E517 WeakPolarHBondContact OH-CG 3.3Å; Y473-E517 PolarHBondContact OH-OE2 2.92Å; K477-E517 VanDerWaalsContact NZ-CD 3.33Å; K477-E517 IonicContact NZ-OE1 2.92Å; K477-E517 PolarHBondContact NZ-OE1 3.32Å; K477-E517 IonicContact NZ-OE2 2.76Å; I513-E517 HydrophobicContact CG2-CG 3.94Å; I513-E517 WeakPolarHBondContact O-CG 3.44Å; I513-E517 PolarHBondContact O-N 3.3Å; D514-E517 PolarHBondContact O-N 3.22Å; E517-K645 HydrophobicContact CB-CD 4.21Å; E517-K645 WeakPolarHBondContact O-CE 3.22Å; E517-K645 PolarHBondContact O-NZ 3.4Å |
| 518 | A | 89.3 | Confident | 89.8 | Confident | 27 Ų | 27 | 32.9 Ų | 32.9 | 22% | 0.223 | 17% | 0.17 | C | C | . | . | trans | -54.9 | 145.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D514 V521 G522 | D514-A518 WeakPolarHBondContact O-CA 3.43Å; D514-A518 WeakPolarHBondContact O-CB 3.41Å; D514-A518 PolarHBondContact O-N 3.5Å; A518-V521 HydrophobicContact CB-CG2 3.62Å; A518-G522 WeakPolarHBondContact O-CA 3.49Å; A518-G522 PolarHBondContact O-N 3.36Å | ||
| 519 | K | 85.8 | Confident | 90.1 | Very high | 169 Ų | 169 | 33.5 Ų | 33.5 | 74% | 0.735 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 137.2 | -179.1 | -67.3 | 173.5 | -176.1 | 167.2 | 0 | 109.9 | V521 D525 | K519-V521 PolarHBondContact O-N 2.92Å; K519-D525 WeakPolarHBondContact CA-OD2 3.44Å |
| 520 | L | 83.4 | Confident | 90.1 | Very high | 121 Ų | 121 | 33.7 Ų | 33.7 | 63% | 0.634 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -26.8 | 179.4 | -47.8 | 172.3 | 0 | 0 | 0 | 116.1 | D525 K548 | L520-D525 PolarHBondContact N-OD2 3.24Å; L520-K548 PolarHBondContact O-NZ 3.38Å |
| 521 | V | 87.8 | Confident | 89.7 | Confident | 71 Ų | 71 | 31.8 Ų | 31.8 | 43% | 0.43 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -29.8 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | A518 K519 I526 H549 | A518-V521 HydrophobicContact CB-CG2 3.62Å; K519-V521 PolarHBondContact O-N 2.92Å; V521-I526 VanDerWaalsContact O-CD1 3.27Å; V521-I526 WeakPolarHBondContact O-CD1 3.48Å; V521-I526 WeakPolarHBondContact O-CG1 3.42Å; V521-H549 PolarHBondContact O-CE1 3.04Å; V521-H549 PolarHBondContact O-NE2 2.87Å |
| 522 | G | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -64.5 | 147.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L515 V516 A518 L524 D525 I526 | L515-G522 CarbonylContact O-C 3.56Å; L515-G522 VanDerWaalsContact O-CA 3.3Å; L515-G522 WeakPolarHBondContact O-CA 3.41Å; V516-G522 CarbonylContact O-C 3.55Å; A518-G522 WeakPolarHBondContact O-CA 3.49Å; A518-G522 PolarHBondContact O-N 3.36Å; G522-L524 PolarHBondContact O-N 3.47Å; G522-D525 WeakPolarHBondContact O-CA 3.16Å; G522-D525 PolarHBondContact O-N 3.25Å; G522-I526 PolarHBondContact O-N 2.93Å |
| 523 | I | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -50.7 | -38.6 | -172.1 | -66 | 168.8 | 0 | 0 | 0 | 112.9 | F469 L515 V516 I526 L527 F541 V545 F575 I577 | F469-I523 HydrophobicContact CE1-CG2 4.41Å; F469-I523 HydrophobicContact CE2-CG2 4.3Å; F469-I523 HydrophobicContact CZ-CB 4.14Å; F469-I523 HydrophobicContact CZ-CG2 3.69Å; L515-I523 HydrophobicContact CD1-CD1 4.17Å; L515-I523 HydrophobicContact CD1-CG1 4.44Å; L515-I523 HydrophobicContact CD2-CD1 4.47Å; L515-I523 HydrophobicContact CG-CD1 3.96Å; L515-I523 WeakPolarHBondContact O-CG1 3.27Å; L515-I523 PolarHBondContact O-N 2.86Å; V516-I523 PolarHBondContact O-N 2.97Å; I523-I526 PolarHBondContact O-N 3.15Å; I523-L527 PolarHBondContact O-N 3.25Å; I523-F541 HydrophobicContact CG2-CE2 4.22Å; I523-F541 HydrophobicContact CG2-CZ 3.91Å; I523-V545 HydrophobicContact CD1-CG1 4.27Å; I523-V545 HydrophobicContact CG1-CG1 4.07Å; I523-V545 HydrophobicContact CG1-CG2 4.36Å; I523-V545 HydrophobicContact CG2-CG2 4.27Å; I523-F575 HydrophobicContact CD1-CE2 4.43Å; I523-F575 HydrophobicContact CG2-CZ 4.13Å; I523-I577 HydrophobicContact CD1-CD1 3.72Å |
| 524 | L | 90.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 176.1 | -72.4 | 174 | 0 | 0 | 0 | 113.6 | F466 F469 Y473 V516 G522 D528 | F466-L524 HydrophobicContact CE2-CD2 4.41Å; F469-L524 HydrophobicContact CE1-CD2 3.82Å; F469-L524 HydrophobicContact CE1-CG 4.19Å; Y473-L524 HydrophobicContact CD1-CD1 4.41Å; Y473-L524 HydrophobicContact CE1-CD1 4.19Å; V516-L524 HydrophobicContact CG1-CD1 3.81Å; V516-L524 HydrophobicContact CG1-CG 3.96Å; V516-L524 PolarHBondContact O-N 3.22Å; V516-L524 VanDerWaalsContact O-N 3.08Å; G522-L524 PolarHBondContact O-N 3.47Å; L524-D528 WeakPolarHBondContact O-CB 3.34Å; L524-D528 PolarHBondContact O-N 3.31Å |
| 525 | D | 89 | Confident | 87.2 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.9 | -30.9 | 175.8 | -86.7 | 22.6 | 0 | 0 | 0 | 110.9 | K519 L520 G522 D528 E529 K645 K646 | K519-D525 WeakPolarHBondContact CA-OD2 3.44Å; L520-D525 PolarHBondContact N-OD2 3.24Å; G522-D525 WeakPolarHBondContact O-CA 3.16Å; G522-D525 PolarHBondContact O-N 3.25Å; D525-D528 PolarHBondContact O-N 3.16Å; D525-E529 WeakPolarHBondContact O-CG 3.44Å; D525-E529 PolarHBondContact O-N 3.39Å; D525-K645 VanDerWaalsContact CG-NZ 3.26Å; D525-K645 IonicContact OD1-NZ 2.78Å; D525-K645 PolarHBondContact OD1-NZ 2.9Å; D525-K645 IonicContact OD2-NZ 3.52Å; D525-K646 IonicContact OD1-NZ 3.88Å |
| 526 | I | 91.8 | Very high | 86.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 171.3 | -53.6 | 174.4 | 0 | 0 | 0 | 110.6 | V521 G522 I523 D528 E529 E530 F541 A544 V545 K548 | V521-I526 VanDerWaalsContact O-CD1 3.27Å; V521-I526 WeakPolarHBondContact O-CD1 3.48Å; V521-I526 WeakPolarHBondContact O-CG1 3.42Å; G522-I526 PolarHBondContact O-N 2.93Å; I523-I526 PolarHBondContact O-N 3.15Å; I526-D528 PolarHBondContact O-N 2.89Å; I526-E529 WeakPolarHBondContact O-CB 3.49Å; I526-E529 PolarHBondContact O-N 2.89Å; I526-E530 PolarHBondContact O-N 3.44Å; I526-F541 HydrophobicContact CB-CE2 4.35Å; I526-F541 HydrophobicContact CG2-CD2 3.97Å; I526-F541 HydrophobicContact CG2-CE2 4.26Å; I526-A544 HydrophobicContact CG2-CB 4.01Å; I526-V545 HydrophobicContact CB-CG2 4.48Å; I526-V545 HydrophobicContact CD1-CG2 3.92Å; I526-V545 HydrophobicContact CG2-CG2 4.2Å; I526-K548 HydrophobicContact CD1-CB 4.16Å; I526-K548 HydrophobicContact CD1-CD 3.58Å; I526-K548 HydrophobicContact CD1-CG 4.43Å; I526-K548 HydrophobicContact CG1-CD 3.74Å |
| 527 | L | 90.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -26.6 | 178.2 | -170.5 | 57.9 | 0 | 0 | 0 | 112.6 | F466 I523 N531 F541 F591 V592 N595 | F466-L527 HydrophobicContact CD2-CD2 4.02Å; F466-L527 HydrophobicContact CE2-CD2 3.53Å; F466-L527 HydrophobicContact CZ-CD2 4.31Å; I523-L527 PolarHBondContact O-N 3.25Å; L527-N531 PolarHBondContact O-N 2.83Å; L527-N531 PolarHBondContact O-ND2 3.48Å; L527-F541 HydrophobicContact CB-CD2 4.08Å; L527-F541 HydrophobicContact CB-CE2 3.59Å; L527-F541 HydrophobicContact CB-CZ 4.1Å; L527-F541 HydrophobicContact CD1-CD1 3.99Å; L527-F541 HydrophobicContact CD1-CD2 3.8Å; L527-F541 HydrophobicContact CD1-CE1 3.98Å; L527-F541 HydrophobicContact CD1-CE2 3.81Å; L527-F541 HydrophobicContact CD1-CG 3.9Å; L527-F541 HydrophobicContact CD1-CZ 3.9Å; L527-F541 HydrophobicContact CD2-CZ 4.47Å; L527-F541 HydrophobicContact CG-CE2 4.21Å; L527-F541 HydrophobicContact CG-CZ 4.37Å; L527-F591 HydrophobicContact CD1-CB 3.98Å; L527-F591 HydrophobicContact CD2-CB 4.42Å; L527-F591 HydrophobicContact CD2-CD2 4.08Å; L527-V592 HydrophobicContact CD1-CG2 4.04Å; L527-N595 HydrophobicContact CD2-CB 3.74Å; L527-N595 HydrophobicContact CG-CB 4Å |
| 528 | D | 86.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.011 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -83.5 | -21.7 | 174.1 | -76.5 | 0.3 | 0 | 0 | 0 | 114.2 | L524 D525 I526 R532 N595 F637 S639 N642 | L524-D528 WeakPolarHBondContact O-CB 3.34Å; L524-D528 PolarHBondContact O-N 3.31Å; D525-D528 PolarHBondContact O-N 3.16Å; I526-D528 PolarHBondContact O-N 2.89Å; D528-R532 VanDerWaalsContact O-CD 3.23Å; D528-R532 WeakPolarHBondContact O-CD 3.38Å; D528-R532 VanDerWaalsContact O-CG 3.31Å; D528-R532 WeakPolarHBondContact O-CG 3.26Å; D528-R532 PolarHBondContact O-NE 3.18Å; D528-R532 VanDerWaalsContact O-NE 3.12Å; D528-N595 PolarHBondContact OD1-ND2 2.8Å; D528-F637 HydrophobicContact CB-CE1 4.17Å; D528-S639 WeakPolarHBondContact OD1-CB 3.24Å; D528-S639 PolarHBondContact OD1-OG 3.35Å; D528-S639 PolarHBondContact OD2-OG 3.04Å; D528-N642 PolarHBondContact OD2-ND2 3.02Å |
| 529 | E | 88 | Confident | 86.7 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75 | -45.6 | 168.1 | -76.4 | 171.3 | 177.3 | 0 | 0 | 110 | D525 I526 N531 R532 K548 | D525-E529 WeakPolarHBondContact O-CG 3.44Å; D525-E529 PolarHBondContact O-N 3.39Å; I526-E529 WeakPolarHBondContact O-CB 3.49Å; I526-E529 PolarHBondContact O-N 2.89Å; E529-N531 PolarHBondContact O-N 3.08Å; E529-R532 WeakPolarHBondContact O-CB 3Å; E529-R532 PolarHBondContact O-N 3.21Å; E529-K548 IonicContact OE1-NZ 3.54Å; E529-K548 IonicContact OE2-NZ 3.4Å; E529-K548 PolarHBondContact OE2-NZ 3.02Å |
| 530 | E | 89.1 | Confident | 87.1 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -48.9 | 177.6 | -170.2 | 65.9 | -153.3 | 0 | 0 | 112.1 | I526 R532 L533 A536 S537 H540 F541 V592 | I526-E530 PolarHBondContact O-N 3.44Å; E530-R532 PolarHBondContact O-N 3.15Å; E530-L533 WeakPolarHBondContact O-CB 3.41Å; E530-L533 WeakPolarHBondContact O-CG 3.47Å; E530-L533 PolarHBondContact O-N 3.41Å; E530-A536 HydrophobicContact CG-CB 4.23Å; E530-A536 VanDerWaalsContact O-CB 3.27Å; E530-A536 WeakPolarHBondContact O-CB 3.13Å; E530-S537 PolarHBondContact OE1-N 3.09Å; E530-H540 IonicContact OE1-CG 3.42Å; E530-H540 IonicContact OE1-ND1 3.23Å; E530-H540 PolarHBondContact OE1-ND1 3.14Å; E530-H540 IonicContact OE2-CE1 2.71Å; E530-H540 IonicContact OE2-CG 2.75Å; E530-H540 IonicContact OE2-ND1 3.29Å; E530-H540 PolarHBondContact OE2-ND1 3.2Å; E530-F541 HydrophobicContact CB-CB 4.26Å; E530-F541 HydrophobicContact CG-CB 3.91Å; E530-V592 HydrophobicContact CB-CG2 4.41Å; E530-V592 HydrophobicContact CG-CG2 3.7Å |
| 531 | N | 83.4 | Confident | 87.6 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -8.5 | 178.4 | -94.6 | -87 | 0 | 0 | 0 | 114.7 | L527 E529 V592 F637 | L527-N531 PolarHBondContact O-N 2.83Å; L527-N531 PolarHBondContact O-ND2 3.48Å; E529-N531 PolarHBondContact O-N 3.08Å; N531-V592 PolarHBondContact ND2-O 2.8Å; N531-V592 PolarHBondContact OD1-O 3.28Å; N531-F637 HydrophobicContact CB-CD1 4.23Å; N531-F637 HydrophobicContact CB-CD2 4.07Å; N531-F637 HydrophobicContact CB-CE1 3.61Å; N531-F637 HydrophobicContact CB-CE2 3.45Å; N531-F637 VanDerWaalsContact CB-CE2 3.45Å; N531-F637 HydrophobicContact CB-CG 4.43Å; N531-F637 HydrophobicContact CB-CZ 3.18Å; N531-F637 WeakPolarHBondContact OD1-CE2 3.39Å |
| 532 | R | 81.4 | Confident | 87.9 | Confident | 149 Ų | 149 | 46.2 Ų | 46.2 | 56% | 0.562 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -5.5 | 176.8 | -63.8 | 169.3 | -171.4 | 155.8 | 10.3 | 113.1 | D528 E529 E530 F637 | D528-R532 VanDerWaalsContact O-CD 3.23Å; D528-R532 WeakPolarHBondContact O-CD 3.38Å; D528-R532 VanDerWaalsContact O-CG 3.31Å; D528-R532 WeakPolarHBondContact O-CG 3.26Å; D528-R532 PolarHBondContact O-NE 3.18Å; D528-R532 VanDerWaalsContact O-NE 3.12Å; E529-R532 WeakPolarHBondContact O-CB 3Å; E529-R532 PolarHBondContact O-N 3.21Å; E530-R532 PolarHBondContact O-N 3.15Å; R532-F637 HydrophobicContact CG-CB 4.5Å; R532-F637 HydrophobicContact CG-CD1 4.32Å |
| 533 | L | 82.4 | Confident | 87.9 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -70.8 | 150.4 | 175.8 | -59.6 | -176.6 | 0 | 0 | 0 | 110.8 | E530 Q535 | E530-L533 WeakPolarHBondContact O-CB 3.41Å; E530-L533 WeakPolarHBondContact O-CG 3.47Å; E530-L533 PolarHBondContact O-N 3.41Å; L533-Q535 PolarHBondContact O-N 3.46Å |
| 534 | P | 73.8 | Confident | 87.9 | Confident | 139 Ų | 139 | 49.7 Ų | 49.7 | 90% | 0.903 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -62.6 | -25.2 | 176.3 | -23 | 34.4 | 0 | 0 | 0 | 113.8 | ||
| 535 | Q | 79.5 | Confident | 88.1 | Confident | 174 Ų | 174 | 49.5 Ų | 49.5 | 81% | 0.813 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -133.8 | 106.7 | 170.1 | -68.9 | 177.3 | -17.2 | 0 | 0 | 106 | L533 | L533-Q535 PolarHBondContact O-N 3.46Š|
| 536 | A | 82.6 | Confident | 88.3 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | trans | -93.9 | 140 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | E530 V592 | E530-A536 HydrophobicContact CG-CB 4.23Å; E530-A536 VanDerWaalsContact O-CB 3.27Å; E530-A536 WeakPolarHBondContact O-CB 3.13Å; A536-V592 HydrophobicContact CB-CG1 3.69Å | ||
| 537 | S | 88.4 | Confident | 88.3 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | trans | -142.3 | 129.2 | -174.2 | 174.4 | 0 | 0 | 0 | 0 | 112 | E530 L539 H540 F541 | E530-S537 PolarHBondContact OE1-N 3.09Å; S537-L539 PolarHBondContact O-N 3.01Å; S537-L539 PolarHBondContact OG-N 3.08Å; S537-H540 PolarHBondContact O-N 3.44Å; S537-F541 PolarHBondContact O-N 2.94Å | ||
| 538 | D | 90.1 | Very high | 88.4 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.4 | -35.5 | 175.6 | -62.3 | -49.3 | 0 | 0 | 0 | 111.9 | F541 T542 T588 R590 F591 V592 | D538-F541 PolarHBondContact O-N 3.42Å; D538-T542 PolarHBondContact O-N 3.21Å; D538-T542 PolarHBondContact O-OG1 3.31Å; D538-T588 WeakPolarHBondContact CB-O 3.17Å; D538-T588 VanDerWaalsContact CG-O 3.27Å; D538-R590 VanDerWaalsContact CG-N 3.32Å; D538-R590 WeakPolarHBondContact OD2-CA 3.48Å; D538-R590 PolarHBondContact OD2-N 3.48Å; D538-F591 PolarHBondContact OD1-N 3.41Å; D538-V592 WeakPolarHBondContact OD1-CB 3.34Å; D538-V592 WeakPolarHBondContact OD1-CG2 3.35Å; D538-V592 PolarHBondContact OD1-N 2.97Å |
| 539 | L | 92.2 | Very high | 88.7 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 178 | -57.4 | 178.8 | 0 | 0 | 0 | 111.8 | S537 S543 D572 E573 | S537-L539 PolarHBondContact O-N 3.01Å; S537-L539 PolarHBondContact OG-N 3.08Å; L539-S543 WeakPolarHBondContact O-CB 3.43Å; L539-S543 PolarHBondContact O-N 2.78Å; L539-S543 PolarHBondContact O-OG 2.89Å; L539-D572 HydrophobicContact CD2-CB 4.45Å; L539-D572 VanDerWaalsContact CD2-O 3.26Å; L539-D572 WeakPolarHBondContact CD2-O 3.48Å; L539-E573 HydrophobicContact CD2-CG 4.02Å |
| 540 | H | 93.6 | Very high | 88.7 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.5 | -43.1 | 176.7 | -178.3 | -103.3 | 0 | 0 | 0 | 111 | E530 S537 T542 S543 A544 | E530-H540 IonicContact OE1-CG 3.42Å; E530-H540 IonicContact OE1-ND1 3.23Å; E530-H540 PolarHBondContact OE1-ND1 3.14Å; E530-H540 IonicContact OE2-CE1 2.71Å; E530-H540 IonicContact OE2-CG 2.75Å; E530-H540 IonicContact OE2-ND1 3.29Å; E530-H540 PolarHBondContact OE2-ND1 3.2Å; S537-H540 PolarHBondContact O-N 3.44Å; H540-T542 VanDerWaalsContact C-N 3.35Å; H540-T542 PolarHBondContact O-N 2.9Å; H540-S543 PolarHBondContact O-N 2.85Å; H540-A544 WeakPolarHBondContact O-CB 3.43Å; H540-A544 PolarHBondContact O-N 3.39Å |
| 541 | F | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -54 | -48.5 | 170.7 | 160.7 | -111.2 | 0 | 0 | 0 | 112.1 | I523 I526 L527 E530 S537 D538 S543 A544 V545 F575 T588 F591 | I523-F541 HydrophobicContact CG2-CE2 4.22Å; I523-F541 HydrophobicContact CG2-CZ 3.91Å; I526-F541 HydrophobicContact CB-CE2 4.35Å; I526-F541 HydrophobicContact CG2-CD2 3.97Å; I526-F541 HydrophobicContact CG2-CE2 4.26Å; L527-F541 HydrophobicContact CB-CD2 4.08Å; L527-F541 HydrophobicContact CB-CE2 3.59Å; L527-F541 HydrophobicContact CB-CZ 4.1Å; L527-F541 HydrophobicContact CD1-CD1 3.99Å; L527-F541 HydrophobicContact CD1-CD2 3.8Å; L527-F541 HydrophobicContact CD1-CE1 3.98Å; L527-F541 HydrophobicContact CD1-CE2 3.81Å; L527-F541 HydrophobicContact CD1-CG 3.9Å; L527-F541 HydrophobicContact CD1-CZ 3.9Å; L527-F541 HydrophobicContact CD2-CZ 4.47Å; L527-F541 HydrophobicContact CG-CE2 4.21Å; L527-F541 HydrophobicContact CG-CZ 4.37Å; E530-F541 HydrophobicContact CB-CB 4.26Å; E530-F541 HydrophobicContact CG-CB 3.91Å; S537-F541 PolarHBondContact O-N 2.94Å; D538-F541 PolarHBondContact O-N 3.42Å; F541-S543 PolarHBondContact O-N 3.34Å; F541-A544 PolarHBondContact O-N 3.25Å; F541-V545 HydrophobicContact CD2-CG2 3.96Å; F541-V545 HydrophobicContact CE2-CG2 3.48Å; F541-V545 VanDerWaalsContact CE2-CG2 3.48Å; F541-V545 HydrophobicContact CZ-CG2 3.83Å; F541-V545 WeakPolarHBondContact O-CG2 3.38Å; F541-V545 PolarHBondContact O-N 3.47Å; F541-F575 AromaticContact CE1-CE1 4Å; F541-F575 HydrophobicContact CE1-CE1 4Å; F541-F575 HydrophobicContact CZ-CE1 4.08Å; F541-T588 HydrophobicContact CD1-CG2 4.16Å; F541-T588 HydrophobicContact CE1-CG2 3.82Å; F541-F591 HydrophobicContact CD1-CB 4.33Å; F541-F591 HydrophobicContact CE1-CB 4.05Å; F541-F591 AromaticContact CE1-CD2 3.66Å; F541-F591 HydrophobicContact CE1-CD2 3.66Å; F541-F591 HydrophobicContact CE1-CE2 4.48Å; F541-F591 HydrophobicContact CE1-CG 4.14Å; F541-F591 HydrophobicContact CZ-CD2 4.06Å |
| 542 | T | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | -179.7 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | D538 H540 A544 V545 H546 D571 D572 T588 | D538-T542 PolarHBondContact O-N 3.21Å; D538-T542 PolarHBondContact O-OG1 3.31Å; H540-T542 VanDerWaalsContact C-N 3.35Å; H540-T542 PolarHBondContact O-N 2.9Å; T542-A544 VanDerWaalsContact C-N 3.32Å; T542-A544 PolarHBondContact O-N 3.32Å; T542-V545 PolarHBondContact O-N 3.32Å; T542-H546 PolarHBondContact O-CD2 3.09Å; T542-H546 VanDerWaalsContact O-CD2 3.3Å; T542-H546 PolarHBondContact O-N 3.02Å; T542-D571 WeakPolarHBondContact CG2-O 3.26Å; T542-D572 VanDerWaalsContact CB-O 3.24Å; T542-D572 WeakPolarHBondContact CB-O 3.44Å; T542-D572 PolarHBondContact OG1-O 2.65Å; T542-T588 HydrophobicContact CG2-CG2 4.05Å; T542-T588 WeakPolarHBondContact OG1-CB 3.47Å; T542-T588 VanDerWaalsContact OG1-CG2 3.28Å; T542-T588 WeakPolarHBondContact OG1-CG2 3.31Å; T542-T588 PolarHBondContact OG1-OG1 3.26Å |
| 543 | S | 92.6 | Very high | 89.5 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 36% | 0.357 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | L539 H540 F541 T547 | L539-S543 WeakPolarHBondContact O-CB 3.43Å; L539-S543 PolarHBondContact O-N 2.78Å; L539-S543 PolarHBondContact O-OG 2.89Å; H540-S543 PolarHBondContact O-N 2.85Å; F541-S543 PolarHBondContact O-N 3.34Å; S543-T547 VanDerWaalsContact O-CB 3.24Å; S543-T547 WeakPolarHBondContact O-CB 3.35Å; S543-T547 PolarHBondContact O-N 3.28Å; S543-T547 PolarHBondContact O-OG1 2.87Å |
| 544 | A | 93.3 | Very high | 89.9 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I526 H540 F541 T542 T547 K548 | I526-A544 HydrophobicContact CG2-CB 4.01Å; H540-A544 WeakPolarHBondContact O-CB 3.43Å; H540-A544 PolarHBondContact O-N 3.39Å; F541-A544 PolarHBondContact O-N 3.25Å; T542-A544 VanDerWaalsContact C-N 3.32Å; T542-A544 PolarHBondContact O-N 3.32Å; A544-T547 PolarHBondContact O-N 2.79Å; A544-K548 WeakPolarHBondContact O-CB 3.38Å; A544-K548 PolarHBondContact O-N 3.38Å |
| 545 | V | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -53.6 | 172.9 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | I523 I526 F541 T542 T547 K548 H549 L555 F575 | I523-V545 HydrophobicContact CD1-CG1 4.27Å; I523-V545 HydrophobicContact CG1-CG1 4.07Å; I523-V545 HydrophobicContact CG1-CG2 4.36Å; I523-V545 HydrophobicContact CG2-CG2 4.27Å; I526-V545 HydrophobicContact CB-CG2 4.48Å; I526-V545 HydrophobicContact CD1-CG2 3.92Å; I526-V545 HydrophobicContact CG2-CG2 4.2Å; F541-V545 HydrophobicContact CD2-CG2 3.96Å; F541-V545 HydrophobicContact CE2-CG2 3.48Å; F541-V545 VanDerWaalsContact CE2-CG2 3.48Å; F541-V545 HydrophobicContact CZ-CG2 3.83Å; F541-V545 WeakPolarHBondContact O-CG2 3.38Å; F541-V545 PolarHBondContact O-N 3.47Å; T542-V545 PolarHBondContact O-N 3.32Å; V545-T547 VanDerWaalsContact C-N 3.26Å; V545-T547 PolarHBondContact O-N 2.83Å; V545-K548 PolarHBondContact O-N 3.26Å; V545-H549 PolarHBondContact O-N 3.1Å; V545-H549 VanDerWaalsContact O-N 3.1Å; V545-L555 HydrophobicContact CG1-CD1 4.34Å; V545-L555 HydrophobicContact CG1-CD2 3.93Å; V545-F575 HydrophobicContact CG1-CD1 4.13Å; V545-F575 HydrophobicContact CG1-CE1 4.47Å |
| 546 | H | 93.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -29.9 | 177.8 | -68.5 | -56.1 | 0 | 0 | 0 | 112.7 | T542 K550 D571 G574 F575 | T542-H546 PolarHBondContact O-CD2 3.09Å; T542-H546 VanDerWaalsContact O-CD2 3.3Å; T542-H546 PolarHBondContact O-N 3.02Å; H546-K550 WeakPolarHBondContact O-CA 3.46Å; H546-K550 WeakPolarHBondContact O-CB 3.46Å; H546-K550 PolarHBondContact O-N 3.38Å; H546-K550 VanDerWaalsContact O-N 3.13Å; H546-D571 PolarHBondContact CD2-O 2.84Å; H546-D571 PolarHBondContact NE2-O 3.19Å; H546-G574 PolarHBondContact NE2-O 3.33Å; H546-F575 VanDerWaalsContact CE1-CB 3.49Å; H546-F575 WeakPolarHBondContact CE1-CB 3.47Å |
| 547 | T | 92.7 | Very high | 91.9 | Very high | 112 Ų | 112 | 56.2 Ų | 56.2 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -75.2 | -44.1 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | S543 A544 V545 H549 | S543-T547 VanDerWaalsContact O-CB 3.24Å; S543-T547 WeakPolarHBondContact O-CB 3.35Å; S543-T547 PolarHBondContact O-N 3.28Å; S543-T547 PolarHBondContact O-OG1 2.87Å; A544-T547 PolarHBondContact O-N 2.79Å; V545-T547 VanDerWaalsContact C-N 3.26Å; V545-T547 PolarHBondContact O-N 2.83Å; T547-H549 VanDerWaalsContact C-N 3.33Å; T547-H549 PolarHBondContact O-N 3.39Å |
| 548 | K | 92.6 | Very high | 91.9 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.6 | -25.4 | 178.7 | -80.3 | -178.7 | 173.4 | -174.8 | 0 | 113.1 | L520 I526 E529 A544 V545 | L520-K548 PolarHBondContact O-NZ 3.38Å; I526-K548 HydrophobicContact CD1-CB 4.16Å; I526-K548 HydrophobicContact CD1-CD 3.58Å; I526-K548 HydrophobicContact CD1-CG 4.43Å; I526-K548 HydrophobicContact CG1-CD 3.74Å; E529-K548 IonicContact OE1-NZ 3.54Å; E529-K548 IonicContact OE2-NZ 3.4Å; E529-K548 PolarHBondContact OE2-NZ 3.02Å; A544-K548 WeakPolarHBondContact O-CB 3.38Å; A544-K548 PolarHBondContact O-N 3.38Å; V545-K548 PolarHBondContact O-N 3.26Å |
| 549 | H | 92.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 24.6 | -173 | -67.6 | -70.1 | 0 | 0 | 0 | 114.6 | L515 V521 V545 T547 D551 H552 L555 | L515-H549 HydrophobicContact CD1-CB 4.1Å; V521-H549 PolarHBondContact O-CE1 3.04Å; V521-H549 PolarHBondContact O-NE2 2.87Å; V545-H549 PolarHBondContact O-N 3.1Å; V545-H549 VanDerWaalsContact O-N 3.1Å; T547-H549 VanDerWaalsContact C-N 3.33Å; T547-H549 PolarHBondContact O-N 3.39Å; H549-D551 PolarHBondContact O-N 3.14Å; H549-H552 HydrophobicContact CB-CB 4.1Å; H549-H552 WeakPolarHBondContact O-CB 3.01Å; H549-H552 PolarHBondContact O-N 2.79Å; H549-L555 HydrophobicContact CB-CD2 3.5Å |
| 550 | K | 86.5 | Confident | 91.2 | Very high | 164 Ų | 164 | 63.5 Ų | 63.5 | 71% | 0.713 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | -41.1 | -171.5 | -173.6 | -170.4 | 172.4 | -161.4 | 0 | 114.9 | H546 | H546-K550 WeakPolarHBondContact O-CA 3.46Å; H546-K550 WeakPolarHBondContact O-CB 3.46Å; H546-K550 PolarHBondContact O-N 3.38Å; H546-K550 VanDerWaalsContact O-N 3.13Å |
| 551 | D | 87.9 | Confident | 90.7 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 77% | 0.77 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 6.2 | -172.6 | -48 | -64.1 | 0 | 0 | 0 | 112.8 | H549 F553 | H549-D551 PolarHBondContact O-N 3.14Å; D551-F553 PolarHBondContact O-N 2.81Å |
| 552 | H | 91.9 | Very high | 89.9 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | trans | -79 | 108.9 | -176.9 | -166.7 | -78.9 | 0 | 0 | 0 | 111.7 | H549 R554 L555 | H549-H552 HydrophobicContact CB-CB 4.1Å; H549-H552 WeakPolarHBondContact O-CB 3.01Å; H549-H552 PolarHBondContact O-N 2.79Å; H552-R554 PolarHBondContact O-N 3.39Å; H552-L555 PolarHBondContact O-N 2.63Å | ||
| 553 | F | 91.5 | Very high | 89.1 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.8 | -168.7 | 77.9 | -85.2 | 0 | 0 | 0 | 116.8 | D511 D551 | D511-F553 WeakPolarHBondContact OD2-CE1 3.48Å; D511-F553 WeakPolarHBondContact OD2-CZ 2.97Å; D551-F553 PolarHBondContact O-N 2.81Å |
| 554 | R | 91.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 73.5 Ų | 73.5 | 5% | 0.053 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -24.9 | 172.3 | -64.5 | -80.7 | -174.7 | 165.8 | 5.4 | 113.6 | D508 D511 C512 L515 H552 I577 R578 | D508-R554 PolarHBondContact O-NH2 2.69Å; D511-R554 IonicContact OD1-CZ 3.88Å; D511-R554 IonicContact OD1-NE 2.73Å; D511-R554 PolarHBondContact OD1-NE 2.84Å; D511-R554 IonicContact OD1-NH2 3.82Å; D511-R554 PolarHBondContact OD1-NH2 2.63Å; D511-R554 WeakPolarHBondContact OD2-CD 3.44Å; D511-R554 WeakPolarHBondContact OD2-CG 3.36Å; D511-R554 IonicContact OD2-CZ 2.85Å; D511-R554 IonicContact OD2-NE 3.43Å; D511-R554 PolarHBondContact OD2-NE 2.69Å; D511-R554 IonicContact OD2-NH2 2.65Å; C512-R554 HydrophobicContact CB-CG 4.4Å; L515-R554 HydrophobicContact CD2-CB 3.88Å; H552-R554 PolarHBondContact O-N 3.39Å; R554-I577 CarbonylContact O-C 3.56Å; R554-I577 WeakPolarHBondContact O-CA 3.44Å; R554-R578 WeakPolarHBondContact CD-O 3.17Å; R554-R578 PolarHBondContact NH1-O 2.75Å; R554-R578 PolarHBondContact O-N 2.96Å |
| 555 | L | 94 | Very high | 88 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.5 | -175.8 | -171.2 | 71.4 | 0 | 0 | 0 | 110.6 | L515 V545 H549 H552 F575 M576 I577 | L515-L555 HydrophobicContact CD2-CB 4.24Å; V545-L555 HydrophobicContact CG1-CD1 4.34Å; V545-L555 HydrophobicContact CG1-CD2 3.93Å; H549-L555 HydrophobicContact CB-CD2 3.5Å; H552-L555 PolarHBondContact O-N 2.63Å; L555-F575 HydrophobicContact CD1-CB 3.98Å; L555-F575 HydrophobicContact CD1-CD2 4.17Å; L555-F575 HydrophobicContact CD1-CG 4.25Å; L555-M576 CarbonylContact C-O 3.47Å; L555-M576 WeakPolarHBondContact CA-O 3.2Å; L555-I577 HydrophobicContact CD1-CG1 4.07Å |
| 556 | T | 91.6 | Very high | 87.4 | Confident | 46 Ų | 46 | 75.9 Ų | 75.9 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 154.6 | 175.7 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | K560 M576 | T556-K560 HydrophobicContact CG2-CD 4.37Å; T556-M576 PolarHBondContact N-O 3.03Å; T556-M576 PolarHBondContact O-N 3.28Å; T556-M576 WeakPolarHBondContact OG1-CB 3.24Å |
| 557 | V | 90.9 | Very high | 86.9 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | trans | -74.6 | 144.5 | 174.3 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | R559 K560 D571 M576 | V557-R559 PolarHBondContact O-N 2.73Å; V557-R559 VanDerWaalsContact O-N 3.12Å; V557-K560 HydrophobicContact CG2-CD 4.19Å; V557-K560 HydrophobicContact CG2-CG 3.98Å; V557-K560 PolarHBondContact O-N 2.92Å; V557-D571 HydrophobicContact CB-CB 4.37Å; V557-D571 HydrophobicContact CG1-CB 4.18Å; V557-M576 VanDerWaalsContact O-CE 3.27Å; V557-M576 WeakPolarHBondContact O-CE 3.38Å | ||
| 558 | P | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -53.2 | -35.2 | -176.4 | -28.2 | 36.1 | 0 | 0 | 0 | 114.4 | K560 S561 H566 L569 G574 | P558-K560 PolarHBondContact O-N 2.94Å; P558-S561 WeakPolarHBondContact O-CB 3.33Å; P558-S561 PolarHBondContact O-N 2.86Å; P558-H566 CarbonylContact C-O 3.57Å; P558-H566 WeakPolarHBondContact CB-O 3.37Å; P558-L569 HydrophobicContact CB-CB 4Å; P558-L569 HydrophobicContact CB-CD1 4.46Å; P558-L569 HydrophobicContact CG-CB 4.4Å; P558-G574 VanDerWaalsContact CD-O 3.31Å; P558-G574 WeakPolarHBondContact CD-O 3.24Å; P558-G574 WeakPolarHBondContact CG-O 3.25Å |
| 559 | R | 85.5 | Confident | 86.2 | Confident | 152 Ų | 152 | 79 Ų | 79 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -61.1 | -13.5 | 178.3 | -64.7 | -169.8 | -70 | -178.5 | -0.4 | 115.1 | V557 D571 | V557-R559 PolarHBondContact O-N 2.73Å; V557-R559 VanDerWaalsContact O-N 3.12Å; R559-D571 WeakPolarHBondContact CG-OD1 3.47Å; R559-D571 IonicContact CZ-OD1 3.84Å; R559-D571 IonicContact CZ-OD2 3.78Å; R559-D571 VanDerWaalsContact NE-CG 3.31Å; R559-D571 IonicContact NE-OD1 2.67Å; R559-D571 PolarHBondContact NE-OD1 2.93Å; R559-D571 IonicContact NE-OD2 3.17Å; R559-D571 PolarHBondContact NE-OD2 3.08Å; R559-D571 VanDerWaalsContact NH2-CG 3.25Å; R559-D571 IonicContact NH2-OD1 3.98Å; R559-D571 IonicContact NH2-OD2 3.88Å; R559-D571 PolarHBondContact NH2-OD2 3.23Å |
| 560 | K | 82.9 | Confident | 85.8 | Confident | 159 Ų | 159 | 84.1 Ų | 84.1 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -85.4 | 0.5 | 171.1 | -69 | -178.5 | 177.8 | 179.4 | 0 | 114 | T556 V557 P558 M576 | T556-K560 HydrophobicContact CG2-CD 4.37Å; V557-K560 HydrophobicContact CG2-CD 4.19Å; V557-K560 HydrophobicContact CG2-CG 3.98Å; V557-K560 PolarHBondContact O-N 2.92Å; P558-K560 PolarHBondContact O-N 2.94Å; K560-M576 HydrophobicContact CB-CE 4.23Å |
| 561 | S | 82.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 78.2 Ų | 78.2 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | trans | -74.4 | 151.4 | -177.7 | -151.3 | 0 | 0 | 0 | 0 | 112.9 | P558 H566 R567 M576 | P558-S561 WeakPolarHBondContact O-CB 3.33Å; P558-S561 PolarHBondContact O-N 2.86Å; S561-H566 PolarHBondContact OG-ND1 3.48Å; S561-H566 VanDerWaalsContact OG-ND1 3.09Å; S561-R567 WeakPolarHBondContact O-CD 3.21Å; S561-R567 WeakPolarHBondContact O-CG 3.09Å; S561-R567 PolarHBondContact O-NE 3.1Å; S561-M576 VanDerWaalsContact CB-SD 3.55Å; S561-M576 PolarHBondContact OG-SD 3.3Å; S561-M576 VanDerWaalsContact OG-SD 3.36Å | ||
| 562 | K | 77.4 | Confident | 85.6 | Confident | 201 Ų | 201 | 73 Ų | 73 | 87% | 0.874 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -70.6 | -36.8 | 172.7 | -65.7 | -175.2 | 177.9 | -177.4 | 0 | 111.8 | R567 | K562-R567 PolarHBondContact O-NH2 3.42Š|
| 563 | L | 78.2 | Confident | 85.5 | Confident | 86 Ų | 86 | 73.3 Ų | 73.3 | 45% | 0.45 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -70.7 | 142.7 | -177.6 | -67.3 | 168.9 | 0 | 0 | 0 | 111.3 | Y460 H566 R567 | Y460-L563 WeakPolarHBondContact OH-CD1 3.48Å; L563-H566 VanDerWaalsContact CD1-CE1 3.49Å; L563-H566 WeakPolarHBondContact CD1-CE1 3.44Å; L563-R567 PolarHBondContact O-NE 2.92Å |
| 564 | A | 80.4 | Confident | 85.5 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H566 R567 N568 | A564-H566 PolarHBondContact O-N 2.9Å; A564-R567 PolarHBondContact O-N 2.9Å; A564-N568 PolarHBondContact O-N 3.3Å; A564-N568 PolarHBondContact O-OD1 3.47Å |
| 565 | I | 80.5 | Confident | 85.6 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 36% | 0.359 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.9 | -53.2 | -179.7 | -58.2 | 172.2 | 0 | 0 | 0 | 110.5 | E462 R567 N568 | E462-I565 HydrophobicContact CB-CD1 4.48Å; I565-R567 PolarHBondContact O-N 3.39Å; I565-N568 WeakPolarHBondContact O-CB 3.4Å; I565-N568 PolarHBondContact O-N 2.67Å; I565-N568 VanDerWaalsContact O-N 3.08Å |
| 566 | H | 82.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -24.1 | 177.9 | -55.4 | 155.7 | 0 | 0 | 0 | 114.2 | E462 P558 S561 L563 A564 N568 | E462-H566 PolarHBondContact O-NE2 2.91Å; P558-H566 CarbonylContact C-O 3.57Å; P558-H566 WeakPolarHBondContact CB-O 3.37Å; S561-H566 PolarHBondContact OG-ND1 3.48Å; S561-H566 VanDerWaalsContact OG-ND1 3.09Å; L563-H566 VanDerWaalsContact CD1-CE1 3.49Å; L563-H566 WeakPolarHBondContact CD1-CE1 3.44Å; A564-H566 PolarHBondContact O-N 2.9Å; H566-N568 VanDerWaalsContact C-N 3.3Å |
| 567 | R | 83.5 | Confident | 85.6 | Confident | 128 Ų | 128 | 64 Ų | 64 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -78.4 | -14.7 | 176.8 | -76.9 | -174.1 | -76.3 | 137.6 | -7.9 | 113.5 | S561 K562 L563 A564 I565 | S561-R567 WeakPolarHBondContact O-CD 3.21Å; S561-R567 WeakPolarHBondContact O-CG 3.09Å; S561-R567 PolarHBondContact O-NE 3.1Å; K562-R567 PolarHBondContact O-NH2 3.42Å; L563-R567 PolarHBondContact O-NE 2.92Å; A564-R567 PolarHBondContact O-N 2.9Å; I565-R567 PolarHBondContact O-N 3.39Å |
| 568 | N | 84.5 | Confident | 85.5 | Confident | 140 Ų | 140 | 69.2 Ų | 69.2 | 75% | 0.749 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -85.8 | -19.1 | 175.1 | -63.6 | -13 | 0 | 0 | 0 | 112.6 | A564 I565 H566 | A564-N568 PolarHBondContact O-N 3.3Å; A564-N568 PolarHBondContact O-OD1 3.47Å; I565-N568 WeakPolarHBondContact O-CB 3.4Å; I565-N568 PolarHBondContact O-N 2.67Å; I565-N568 VanDerWaalsContact O-N 3.08Å; H566-N568 VanDerWaalsContact C-N 3.3Å |
| 569 | L | 84.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -67.6 | 142 | 171.7 | -66.7 | 171.9 | 0 | 0 | 0 | 110.7 | P558 E587 | P558-L569 HydrophobicContact CB-CB 4Å; P558-L569 HydrophobicContact CB-CD1 4.46Å; P558-L569 HydrophobicContact CG-CB 4.4Å; L569-E587 HydrophobicContact CD1-CG 3.86Å; L569-E587 HydrophobicContact CD2-CG 4.2Å |
| 570 | R | 84.3 | Confident | 85.4 | Confident | 130 Ų | 130 | 64.3 Ų | 64.3 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | trans | -75.5 | 157.8 | 171.3 | -63 | 163.2 | 41.8 | 169.1 | 0.3 | 111.4 | D572 E573 | R570-D572 WeakPolarHBondContact CB-OD1 3.43Å; R570-D572 IonicContact CZ-OD1 3.31Å; R570-D572 IonicContact CZ-OD2 3.56Å; R570-D572 IonicContact NE-OD1 2.72Å; R570-D572 PolarHBondContact NE-OD1 3.42Å; R570-D572 IonicContact NE-OD2 3.99Å; R570-D572 VanDerWaalsContact NH2-CG 3.34Å; R570-D572 IonicContact NH2-OD1 3.06Å; R570-D572 PolarHBondContact NH2-OD1 3.02Å; R570-D572 IonicContact NH2-OD2 2.72Å; R570-D572 PolarHBondContact NH2-OD2 3.42Å; R570-D572 PolarHBondContact O-N 3.16Å; R570-E573 HydrophobicContact CB-CB 4.31Å; R570-E573 HydrophobicContact CB-CG 3.99Å; R570-E573 VanDerWaalsContact CB-OE2 3.25Å; R570-E573 WeakPolarHBondContact CB-OE2 3.47Å; R570-E573 WeakPolarHBondContact CD-OE1 3.48Å; R570-E573 WeakPolarHBondContact CD-OE2 3.42Å; R570-E573 VanDerWaalsContact CG-OE2 3.3Å; R570-E573 WeakPolarHBondContact CG-OE2 3.29Å; R570-E573 PolarHBondContact N-OE2 3.03Å; R570-E573 IonicContact NE-OE1 3.33Å; R570-E573 PolarHBondContact O-N 3.44Å; R570-E573 VanDerWaalsContact O-N 3.09Å | ||
| 571 | D | 85.4 | Confident | 85.1 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.2 | 178 | -69.4 | 2.4 | 0 | 0 | 0 | 112.7 | T542 H546 V557 R559 | T542-D571 WeakPolarHBondContact CG2-O 3.26Å; H546-D571 PolarHBondContact CD2-O 2.84Å; H546-D571 PolarHBondContact NE2-O 3.19Å; V557-D571 HydrophobicContact CB-CB 4.37Å; V557-D571 HydrophobicContact CG1-CB 4.18Å; R559-D571 WeakPolarHBondContact CG-OD1 3.47Å; R559-D571 IonicContact CZ-OD1 3.84Å; R559-D571 IonicContact CZ-OD2 3.78Å; R559-D571 VanDerWaalsContact NE-CG 3.31Å; R559-D571 IonicContact NE-OD1 2.67Å; R559-D571 PolarHBondContact NE-OD1 2.93Å; R559-D571 IonicContact NE-OD2 3.17Å; R559-D571 PolarHBondContact NE-OD2 3.08Å; R559-D571 VanDerWaalsContact NH2-CG 3.25Å; R559-D571 IonicContact NH2-OD1 3.98Å; R559-D571 IonicContact NH2-OD2 3.88Å; R559-D571 PolarHBondContact NH2-OD2 3.23Å |
| 572 | D | 86.1 | Confident | 85 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.7 | 174.8 | 62 | -39 | 0 | 0 | 0 | 114.3 | L539 T542 R570 | L539-D572 HydrophobicContact CD2-CB 4.45Å; L539-D572 VanDerWaalsContact CD2-O 3.26Å; L539-D572 WeakPolarHBondContact CD2-O 3.48Å; T542-D572 VanDerWaalsContact CB-O 3.24Å; T542-D572 WeakPolarHBondContact CB-O 3.44Å; T542-D572 PolarHBondContact OG1-O 2.65Å; R570-D572 WeakPolarHBondContact CB-OD1 3.43Å; R570-D572 IonicContact CZ-OD1 3.31Å; R570-D572 IonicContact CZ-OD2 3.56Å; R570-D572 IonicContact NE-OD1 2.72Å; R570-D572 PolarHBondContact NE-OD1 3.42Å; R570-D572 IonicContact NE-OD2 3.99Å; R570-D572 VanDerWaalsContact NH2-CG 3.34Å; R570-D572 IonicContact NH2-OD1 3.06Å; R570-D572 PolarHBondContact NH2-OD1 3.02Å; R570-D572 IonicContact NH2-OD2 2.72Å; R570-D572 PolarHBondContact NH2-OD2 3.42Å; R570-D572 PolarHBondContact O-N 3.16Å |
| 573 | E | 88.7 | Confident | 85.4 | Confident | 58 Ų | 58 | 51.6 Ų | 51.6 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -6.5 | 178.1 | -67.8 | 169.8 | 157.5 | 0 | 0 | 113.3 | L539 R570 T588 | L539-E573 HydrophobicContact CD2-CG 4.02Å; R570-E573 HydrophobicContact CB-CB 4.31Å; R570-E573 HydrophobicContact CB-CG 3.99Å; R570-E573 VanDerWaalsContact CB-OE2 3.25Å; R570-E573 WeakPolarHBondContact CB-OE2 3.47Å; R570-E573 WeakPolarHBondContact CD-OE1 3.48Å; R570-E573 WeakPolarHBondContact CD-OE2 3.42Å; R570-E573 VanDerWaalsContact CG-OE2 3.3Å; R570-E573 WeakPolarHBondContact CG-OE2 3.29Å; R570-E573 PolarHBondContact N-OE2 3.03Å; R570-E573 IonicContact NE-OE1 3.33Å; R570-E573 PolarHBondContact O-N 3.44Å; R570-E573 VanDerWaalsContact O-N 3.09Å; E573-T588 VanDerWaalsContact C-OG1 3.24Å; E573-T588 PolarHBondContact O-N 3.04Å; E573-T588 PolarHBondContact O-OG1 2.93Å; E573-T588 VanDerWaalsContact O-OG1 3.1Å |
| 574 | G | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.2 | 170.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H546 P558 Y586 | H546-G574 PolarHBondContact NE2-O 3.33Å; P558-G574 VanDerWaalsContact CD-O 3.31Å; P558-G574 WeakPolarHBondContact CD-O 3.24Å; P558-G574 WeakPolarHBondContact CG-O 3.25Å; G574-Y586 CarbonylContact C-O 3.6Å; G574-Y586 WeakPolarHBondContact CA-O 3.07Å |
| 575 | F | 93.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.3 | 171.7 | 57.6 | -108.5 | 0 | 0 | 0 | 111.6 | F469 I523 F541 V545 H546 L555 I577 Y586 T588 F591 | F469-F575 HydrophobicContact CD2-CE2 4.32Å; F469-F575 HydrophobicContact CD2-CZ 4.45Å; F469-F575 HydrophobicContact CE2-CE2 4.16Å; F469-F575 HydrophobicContact CE2-CZ 4.24Å; I523-F575 HydrophobicContact CD1-CE2 4.43Å; I523-F575 HydrophobicContact CG2-CZ 4.13Å; F541-F575 AromaticContact CE1-CE1 4Å; F541-F575 HydrophobicContact CE1-CE1 4Å; F541-F575 HydrophobicContact CZ-CE1 4.08Å; V545-F575 HydrophobicContact CG1-CD1 4.13Å; V545-F575 HydrophobicContact CG1-CE1 4.47Å; H546-F575 VanDerWaalsContact CE1-CB 3.49Å; H546-F575 WeakPolarHBondContact CE1-CB 3.47Å; L555-F575 HydrophobicContact CD1-CB 3.98Å; L555-F575 HydrophobicContact CD1-CD2 4.17Å; L555-F575 HydrophobicContact CD1-CG 4.25Å; F575-I577 HydrophobicContact CD2-CD1 4.08Å; F575-I577 HydrophobicContact CD2-CG1 3.92Å; F575-I577 HydrophobicContact CE2-CD1 3.69Å; F575-I577 HydrophobicContact CE2-CG1 4.05Å; F575-Y586 HydrophobicContact CD2-CD2 4.07Å; F575-Y586 AromaticContact CE2-CD2 3.67Å; F575-Y586 HydrophobicContact CE2-CD2 3.67Å; F575-Y586 HydrophobicContact CE2-CG 4.14Å; F575-Y586 PolarHBondContact N-O 3Å; F575-Y586 PolarHBondContact O-N 3.11Å; F575-T588 HydrophobicContact CD1-CG2 3.63Å; F575-T588 HydrophobicContact CE1-CG2 3.51Å; F575-F591 HydrophobicContact CZ-CE2 4.12Å |
| 576 | M | 92.3 | Very high | 87 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.8 | 173.8 | -71.5 | -164 | -67.2 | 0 | 0 | 111.5 | L555 T556 V557 K560 S561 V584 C585 | L555-M576 CarbonylContact C-O 3.47Å; L555-M576 WeakPolarHBondContact CA-O 3.2Å; T556-M576 PolarHBondContact N-O 3.03Å; T556-M576 PolarHBondContact O-N 3.28Å; T556-M576 WeakPolarHBondContact OG1-CB 3.24Å; V557-M576 VanDerWaalsContact O-CE 3.27Å; V557-M576 WeakPolarHBondContact O-CE 3.38Å; K560-M576 HydrophobicContact CB-CE 4.23Å; S561-M576 VanDerWaalsContact CB-SD 3.55Å; S561-M576 PolarHBondContact OG-SD 3.3Å; S561-M576 VanDerWaalsContact OG-SD 3.36Å; M576-V584 CarbonylContact C-O 3.56Å; M576-V584 VanDerWaalsContact CA-O 3.23Å; M576-V584 WeakPolarHBondContact CA-O 3.31Å; M576-C585 HydrophobicContact CG-CB 3.7Å; M576-C585 HydrophobicContact SD-CB 4.33Å |
| 577 | I | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.7 | 173 | -60.5 | 177.4 | 0 | 0 | 0 | 110.2 | F469 L515 I523 R554 L555 F575 H579 A583 V584 Y586 | F469-I577 HydrophobicContact CD2-CD1 4.35Å; F469-I577 HydrophobicContact CE2-CD1 3.74Å; L515-I577 HydrophobicContact CD2-CG1 4.49Å; L515-I577 HydrophobicContact CD2-CG2 4.38Å; I523-I577 HydrophobicContact CD1-CD1 3.72Å; R554-I577 CarbonylContact O-C 3.56Å; R554-I577 WeakPolarHBondContact O-CA 3.44Å; L555-I577 HydrophobicContact CD1-CG1 4.07Å; F575-I577 HydrophobicContact CD2-CD1 4.08Å; F575-I577 HydrophobicContact CD2-CG1 3.92Å; F575-I577 HydrophobicContact CE2-CD1 3.69Å; F575-I577 HydrophobicContact CE2-CG1 4.05Å; I577-H579 PolarHBondContact O-CD2 2.99Å; I577-H579 PolarHBondContact O-N 3.48Å; I577-A583 WeakPolarHBondContact O-CA 3.46Å; I577-V584 PolarHBondContact N-O 3.16Å; I577-V584 PolarHBondContact O-N 2.96Å; I577-Y586 HydrophobicContact CB-CE2 4.26Å; I577-Y586 HydrophobicContact CD1-CD2 4.48Å; I577-Y586 HydrophobicContact CD1-CE2 4.26Å; I577-Y586 HydrophobicContact CG1-CE2 4.41Å |
| 578 | R | 90.1 | Very high | 87.8 | Confident | 142 Ų | 142 | 37.4 Ų | 37.4 | 54% | 0.536 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 77.4 | 171.4 | -173 | -175 | -72 | 177.6 | -2.8 | 111.1 | R554 G582 | R554-R578 WeakPolarHBondContact CD-O 3.17Å; R554-R578 PolarHBondContact NH1-O 2.75Å; R554-R578 PolarHBondContact O-N 2.96Å; R578-G582 CarbonylContact C-O 3.59Å |
| 579 | H | 88.8 | Confident | 87.9 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 166.8 | 168.7 | -70.2 | -80.8 | 0 | 0 | 0 | 112.2 | F458 E476 I577 A581 G582 Y586 | F458-H579 HydrophobicContact CE2-CB 3.71Å; F458-H579 AromaticContact CE2-CG 3.84Å; F458-H579 HydrophobicContact CZ-CB 3.64Å; F458-H579 AromaticContact CZ-CG 3.77Å; E476-H579 WeakPolarHBondContact OE2-CA 3.36Å; E476-H579 VanDerWaalsContact OE2-CB 3.27Å; E476-H579 WeakPolarHBondContact OE2-CB 3.37Å; E476-H579 IonicContact OE2-CE1 2.72Å; E476-H579 IonicContact OE2-CG 3.76Å; E476-H579 IonicContact OE2-ND1 3.64Å; E476-H579 PolarHBondContact OE2-ND1 3.06Å; I577-H579 PolarHBondContact O-CD2 2.99Å; I577-H579 PolarHBondContact O-N 3.48Å; H579-A581 PolarHBondContact O-N 2.85Å; H579-A581 VanDerWaalsContact O-N 3.13Å; H579-G582 PolarHBondContact N-O 3.46Å; H579-G582 PolarHBondContact O-N 3.27Å; H579-Y586 AromaticContact NE2-CE2 3.44Å; H579-Y586 WeakPolarHBondContact NE2-CE2 3.34Å; H579-Y586 AromaticContact NE2-CZ 3.54Å; H579-Y586 PolarHBondContact NE2-OH 3.09Å |
| 580 | F | 81.9 | Confident | 87.9 | Confident | 45 Ų | 45 | 39 Ų | 39 | 20% | 0.197 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30 | 169.7 | 79.4 | -93.3 | 0 | 0 | 0 | 113 | F458 N475 E476 Q479 C690 | F458-F580 AromaticContact CD2-CE1 3.8Å; F458-F580 HydrophobicContact CD2-CE1 3.8Å; F458-F580 AromaticContact CD2-CZ 3.93Å; F458-F580 HydrophobicContact CD2-CZ 3.93Å; F458-F580 HydrophobicContact CE2-CE1 4.17Å; N475-F580 HydrophobicContact CB-CE1 4.05Å; N475-F580 HydrophobicContact CB-CZ 4.32Å; E476-F580 WeakPolarHBondContact OE1-CB 3.18Å; E476-F580 WeakPolarHBondContact OE1-CD1 3.4Å; E476-F580 PolarHBondContact OE1-N 2.73Å; E476-F580 VanDerWaalsContact OE1-N 3.13Å; E476-F580 PolarHBondContact OE2-N 2.69Å; Q479-F580 HydrophobicContact CB-CD1 3.96Å; Q479-F580 HydrophobicContact CB-CD2 4.46Å; Q479-F580 HydrophobicContact CB-CE1 4Å; Q479-F580 HydrophobicContact CB-CE2 4.49Å; Q479-F580 HydrophobicContact CB-CG 4.19Å; Q479-F580 HydrophobicContact CB-CZ 4.27Å; Q479-F580 HydrophobicContact CG-CB 4.37Å; Q479-F580 HydrophobicContact CG-CD1 4.2Å; Q479-F580 HydrophobicContact CG-CD2 3.96Å; Q479-F580 HydrophobicContact CG-CE2 4.28Å; Q479-F580 HydrophobicContact CG-CG 3.91Å; F580-C690 HydrophobicContact CD2-CB 4.19Å; F580-C690 WeakPolarHBondContact CD2-O 3.43Å; F580-C690 HydrophobicContact CE2-CB 4.33Å; F580-C690 WeakPolarHBondContact CE2-O 3.39Å; F580-C690 PolarHBondContact O-SG 2.91Å; F580-C690 VanDerWaalsContact O-SG 3.42Å |
| 581 | A | 75.9 | Confident | 88 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 3.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F458 H579 C690 | F458-A581 HydrophobicContact CD1-CB 3.63Å; F458-A581 HydrophobicContact CD2-CB 3.78Å; F458-A581 HydrophobicContact CE1-CB 3.62Å; F458-A581 HydrophobicContact CE2-CB 3.75Å; F458-A581 HydrophobicContact CG-CB 3.72Å; F458-A581 HydrophobicContact CZ-CB 3.68Å; H579-A581 PolarHBondContact O-N 2.85Å; H579-A581 VanDerWaalsContact O-N 3.13Å; A581-C690 VanDerWaalsContact CA-SG 3.54Å; A581-C690 HydrophobicContact CB-CB 4.25Å |
| 582 | G | 81.1 | Confident | 88 | Confident | 32 Ų | 32 | 31.7 Ų | 31.7 | 33% | 0.33 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.3 | -170.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R578 H579 | R578-G582 CarbonylContact C-O 3.59Å; H579-G582 PolarHBondContact N-O 3.46Å; H579-G582 PolarHBondContact O-N 3.27Å |
| 583 | A | 85.8 | Confident | 87.6 | Confident | 52 Ų | 52 | 32.8 Ų | 32.8 | 43% | 0.43 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y460 I577 | Y460-A583 WeakPolarHBondContact CE2-O 3.4Å; I577-A583 WeakPolarHBondContact O-CA 3.46Å |
| 584 | V | 88.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.3 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | F458 Y460 N464 M576 I577 Y586 | F458-V584 HydrophobicContact CE1-CG2 3.68Å; F458-V584 HydrophobicContact CZ-CG2 3.55Å; Y460-V584 HydrophobicContact CD2-CB 4.3Å; Y460-V584 HydrophobicContact CD2-CG1 4.09Å; Y460-V584 HydrophobicContact CD2-CG2 3.96Å; N464-V584 HydrophobicContact CB-CG1 4.07Å; M576-V584 CarbonylContact C-O 3.56Å; M576-V584 VanDerWaalsContact CA-O 3.23Å; M576-V584 WeakPolarHBondContact CA-O 3.31Å; I577-V584 PolarHBondContact N-O 3.16Å; I577-V584 PolarHBondContact O-N 2.96Å; V584-Y586 HydrophobicContact CB-CE1 4.46Å; V584-Y586 HydrophobicContact CB-CE2 3.81Å; V584-Y586 HydrophobicContact CG1-CD1 4.15Å; V584-Y586 HydrophobicContact CG1-CD2 4.28Å; V584-Y586 HydrophobicContact CG1-CE1 3.56Å; V584-Y586 HydrophobicContact CG1-CE2 3.75Å; V584-Y586 HydrophobicContact CG1-CG 4.47Å |
| 585 | C | 91.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.7 | 173.2 | -165.2 | 0 | 0 | 0 | 0 | 109.5 | N464 M576 | N464-C585 WeakPolarHBondContact CB-O 3.23Å; N464-C585 PolarHBondContact ND2-O 3.08Å; M576-C585 HydrophobicContact CG-CB 3.7Å; M576-C585 HydrophobicContact SD-CB 4.33Å |
| 586 | Y | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.4 | 177.6 | -60.1 | -76.9 | 0 | 0 | 0 | 110.3 | N464 Q468 F469 N472 G574 F575 I577 H579 V584 | N464-Y586 HydrophobicContact CB-CD1 3.67Å; N464-Y586 HydrophobicContact CB-CE1 3.98Å; N464-Y586 WeakPolarHBondContact O-CA 3.17Å; Q468-Y586 HydrophobicContact CB-CE1 4.19Å; F469-Y586 VanDerWaalsContact CA-CE1 3.47Å; F469-Y586 HydrophobicContact CB-CD1 3.88Å; F469-Y586 HydrophobicContact CB-CE1 3.74Å; F469-Y586 HydrophobicContact CD2-CD1 4.5Å; F469-Y586 HydrophobicContact CD2-CD2 4.16Å; F469-Y586 HydrophobicContact CD2-CE1 4.36Å; F469-Y586 AromaticContact CD2-CE2 3.99Å; F469-Y586 HydrophobicContact CD2-CE2 3.99Å; F469-Y586 HydrophobicContact CD2-CG 4.4Å; N472-Y586 WeakPolarHBondContact CB-OH 3.45Å; N472-Y586 PolarHBondContact ND2-OH 3.01Å; G574-Y586 CarbonylContact C-O 3.6Å; G574-Y586 WeakPolarHBondContact CA-O 3.07Å; F575-Y586 HydrophobicContact CD2-CD2 4.07Å; F575-Y586 AromaticContact CE2-CD2 3.67Å; F575-Y586 HydrophobicContact CE2-CD2 3.67Å; F575-Y586 HydrophobicContact CE2-CG 4.14Å; F575-Y586 PolarHBondContact N-O 3Å; F575-Y586 PolarHBondContact O-N 3.11Å; I577-Y586 HydrophobicContact CB-CE2 4.26Å; I577-Y586 HydrophobicContact CD1-CD2 4.48Å; I577-Y586 HydrophobicContact CD1-CE2 4.26Å; I577-Y586 HydrophobicContact CG1-CE2 4.41Å; H579-Y586 AromaticContact NE2-CE2 3.44Å; H579-Y586 WeakPolarHBondContact NE2-CE2 3.34Å; H579-Y586 AromaticContact NE2-CZ 3.54Å; H579-Y586 PolarHBondContact NE2-OH 3.09Å; V584-Y586 HydrophobicContact CB-CE1 4.46Å; V584-Y586 HydrophobicContact CB-CE2 3.81Å; V584-Y586 HydrophobicContact CG1-CD1 4.15Å; V584-Y586 HydrophobicContact CG1-CD2 4.28Å; V584-Y586 HydrophobicContact CG1-CE1 3.56Å; V584-Y586 HydrophobicContact CG1-CE2 3.75Å; V584-Y586 HydrophobicContact CG1-CG 4.47Å |
| 587 | E | 91.9 | Very high | 84.8 | Confident | 40 Ų | 40 | 34 Ų | 34 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.5 | 173.4 | -67.3 | 175.4 | 164.5 | 0 | 0 | 108.8 | H463 N464 L569 T589 F591 | H463-E587 IonicContact CE1-OE1 2.83Å; H463-E587 IonicContact CG-OE1 3.54Å; H463-E587 IonicContact CG-OE2 3.22Å; H463-E587 IonicContact ND1-OE1 2.65Å; H463-E587 PolarHBondContact ND1-OE1 2.91Å; H463-E587 IonicContact ND1-OE2 2.68Å; H463-E587 PolarHBondContact ND1-OE2 3.5Å; N464-E587 PolarHBondContact O-N 2.77Å; L569-E587 HydrophobicContact CD1-CG 3.86Å; L569-E587 HydrophobicContact CD2-CG 4.2Å; E587-T589 VanDerWaalsContact C-N 3.27Å; E587-T589 PolarHBondContact O-N 2.83Å; E587-F591 WeakPolarHBondContact O-CD1 3.47Å; E587-F591 WeakPolarHBondContact O-CE1 3.37Å |
| 588 | T | 90.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -81.3 | -5.7 | -171.5 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | D538 F541 T542 E573 F575 R590 F591 | D538-T588 WeakPolarHBondContact CB-O 3.17Å; D538-T588 VanDerWaalsContact CG-O 3.27Å; F541-T588 HydrophobicContact CD1-CG2 4.16Å; F541-T588 HydrophobicContact CE1-CG2 3.82Å; T542-T588 HydrophobicContact CG2-CG2 4.05Å; T542-T588 WeakPolarHBondContact OG1-CB 3.47Å; T542-T588 VanDerWaalsContact OG1-CG2 3.28Å; T542-T588 WeakPolarHBondContact OG1-CG2 3.31Å; T542-T588 PolarHBondContact OG1-OG1 3.26Å; E573-T588 VanDerWaalsContact C-OG1 3.24Å; E573-T588 PolarHBondContact O-N 3.04Å; E573-T588 PolarHBondContact O-OG1 2.93Å; E573-T588 VanDerWaalsContact O-OG1 3.1Å; F575-T588 HydrophobicContact CD1-CG2 3.63Å; F575-T588 HydrophobicContact CE1-CG2 3.51Å; T588-R590 PolarHBondContact O-N 3.04Å; T588-F591 VanDerWaalsContact O-CB 3.28Å; T588-F591 WeakPolarHBondContact O-CB 3.41Å; T588-F591 PolarHBondContact O-N 3.26Å | ||
| 589 | T | 87.4 | Confident | 82.9 | Confident | 83 Ų | 83 | 29.7 Ų | 29.7 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 123.3 | 176.3 | -45.7 | 0 | 0 | 0 | 0 | 111.4 | E587 F591 | E587-T589 VanDerWaalsContact C-N 3.27Å; E587-T589 PolarHBondContact O-N 2.83Å; T589-F591 VanDerWaalsContact C-N 3.29Å; T589-F591 PolarHBondContact O-N 2.97Å |
| 590 | R | 83.8 | Confident | 82.3 | Confident | 117 Ų | 117 | 30.7 Ų | 30.7 | 44% | 0.442 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 17.7 | -172.9 | -59 | -177.2 | 171.3 | 112.7 | 3 | 115.7 | D538 T588 V592 E593 K594 | D538-R590 VanDerWaalsContact CG-N 3.32Å; D538-R590 WeakPolarHBondContact OD2-CA 3.48Å; D538-R590 PolarHBondContact OD2-N 3.48Å; T588-R590 PolarHBondContact O-N 3.04Å; R590-V592 VanDerWaalsContact C-N 3.29Å; R590-V592 PolarHBondContact O-N 3.05Å; R590-E593 HydrophobicContact CB-CB 4.11Å; R590-E593 WeakPolarHBondContact CD-OE2 3.4Å; R590-E593 VanDerWaalsContact CG-OE2 3.29Å; R590-E593 WeakPolarHBondContact CG-OE2 3.36Å; R590-E593 IonicContact NE-OE2 3.94Å; R590-E593 PolarHBondContact NE-OE2 3.34Å; R590-E593 PolarHBondContact O-N 3Å; R590-K594 HydrophobicContact CB-CG 4.42Å; R590-K594 VanDerWaalsContact O-CB 3.23Å; R590-K594 WeakPolarHBondContact O-CB 3.37Å; R590-K594 WeakPolarHBondContact O-CG 3.42Å; R590-K594 PolarHBondContact O-N 2.98Å |
| 591 | F | 87.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 171.9 | -97.9 | 50.4 | 0 | 0 | 0 | 111.5 | F466 F469 L527 D538 F541 F575 E587 T588 T589 N595 | F466-F591 HydrophobicContact CB-CD1 3.9Å; F466-F591 HydrophobicContact CB-CD2 4.39Å; F466-F591 HydrophobicContact CB-CE1 3.82Å; F466-F591 HydrophobicContact CB-CE2 4.33Å; F466-F591 HydrophobicContact CB-CG 4.19Å; F466-F591 HydrophobicContact CB-CZ 4.05Å; F466-F591 AromaticContact CD2-CD2 3.8Å; F466-F591 HydrophobicContact CD2-CD2 3.8Å; F466-F591 AromaticContact CD2-CE2 3.87Å; F466-F591 HydrophobicContact CD2-CE2 3.87Å; F466-F591 HydrophobicContact CD2-CG 4.26Å; F466-F591 HydrophobicContact CD2-CZ 4.4Å; F469-F591 HydrophobicContact CB-CE2 4.42Å; F469-F591 HydrophobicContact CB-CZ 4.19Å; F469-F591 HydrophobicContact CD1-CE2 4.37Å; F469-F591 HydrophobicContact CG-CE2 4.28Å; F469-F591 HydrophobicContact CG-CZ 4.49Å; L527-F591 HydrophobicContact CD1-CB 3.98Å; L527-F591 HydrophobicContact CD2-CB 4.42Å; L527-F591 HydrophobicContact CD2-CD2 4.08Å; D538-F591 PolarHBondContact OD1-N 3.41Å; F541-F591 HydrophobicContact CD1-CB 4.33Å; F541-F591 HydrophobicContact CE1-CB 4.05Å; F541-F591 AromaticContact CE1-CD2 3.66Å; F541-F591 HydrophobicContact CE1-CD2 3.66Å; F541-F591 HydrophobicContact CE1-CE2 4.48Å; F541-F591 HydrophobicContact CE1-CG 4.14Å; F541-F591 HydrophobicContact CZ-CD2 4.06Å; F575-F591 HydrophobicContact CZ-CE2 4.12Å; E587-F591 WeakPolarHBondContact O-CD1 3.47Å; E587-F591 WeakPolarHBondContact O-CE1 3.37Å; T588-F591 VanDerWaalsContact O-CB 3.28Å; T588-F591 WeakPolarHBondContact O-CB 3.41Å; T588-F591 PolarHBondContact O-N 3.26Å; T589-F591 VanDerWaalsContact C-N 3.29Å; T589-F591 PolarHBondContact O-N 2.97Å; F591-N595 VanDerWaalsContact O-CB 3.28Å; F591-N595 WeakPolarHBondContact O-CB 3.48Å; F591-N595 PolarHBondContact O-N 2.82Å |
| 592 | V | 84.9 | Confident | 82.1 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -51.2 | 177.6 | 173 | 0 | 0 | 0 | 0 | 110.2 | L527 E530 N531 A536 D538 R590 N595 N596 | L527-V592 HydrophobicContact CD1-CG2 4.04Å; E530-V592 HydrophobicContact CB-CG2 4.41Å; E530-V592 HydrophobicContact CG-CG2 3.7Å; N531-V592 PolarHBondContact ND2-O 2.8Å; N531-V592 PolarHBondContact OD1-O 3.28Å; A536-V592 HydrophobicContact CB-CG1 3.69Å; D538-V592 WeakPolarHBondContact OD1-CB 3.34Å; D538-V592 WeakPolarHBondContact OD1-CG2 3.35Å; D538-V592 PolarHBondContact OD1-N 2.97Å; R590-V592 VanDerWaalsContact C-N 3.29Å; R590-V592 PolarHBondContact O-N 3.05Å; V592-N595 PolarHBondContact O-N 2.87Å; V592-N596 PolarHBondContact O-N 2.78Å |
| 593 | E | 78.1 | Confident | 82.3 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 27% | 0.271 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 178.2 | -169 | -161.9 | 129.7 | 0 | 0 | 111.9 | R590 N595 N596 | R590-E593 HydrophobicContact CB-CB 4.11Å; R590-E593 WeakPolarHBondContact CD-OE2 3.4Å; R590-E593 VanDerWaalsContact CG-OE2 3.29Å; R590-E593 WeakPolarHBondContact CG-OE2 3.36Å; R590-E593 IonicContact NE-OE2 3.94Å; R590-E593 PolarHBondContact NE-OE2 3.34Å; R590-E593 PolarHBondContact O-N 3Å; E593-N595 PolarHBondContact O-N 2.95Å; E593-N596 PolarHBondContact O-N 2.91Å |
| 594 | K | 79.1 | Confident | 82.2 | Confident | 32 Ų | 32 | 30.1 Ų | 30.1 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.1 | -31.4 | -178.6 | -72.7 | 175.4 | 169.3 | -163.9 | 0 | 113.5 | S465 F466 E467 R590 N596 | S465-K594 PolarHBondContact OG-NZ 3.07Å; F466-K594 HydrophobicContact CB-CB 4.17Å; F466-K594 HydrophobicContact CB-CD 3.94Å; F466-K594 HydrophobicContact CD1-CB 3.78Å; F466-K594 HydrophobicContact CG-CB 4.23Å; E467-K594 VanDerWaalsContact CD-NZ 3.26Å; E467-K594 VanDerWaalsContact OE1-CD 3.3Å; E467-K594 WeakPolarHBondContact OE1-CD 3.31Å; E467-K594 WeakPolarHBondContact OE1-CE 3.3Å; E467-K594 IonicContact OE1-NZ 3.25Å; E467-K594 PolarHBondContact OE1-NZ 3.2Å; E467-K594 IonicContact OE2-NZ 2.71Å; E467-K594 PolarHBondContact OE2-NZ 2.84Å; R590-K594 HydrophobicContact CB-CG 4.42Å; R590-K594 VanDerWaalsContact O-CB 3.23Å; R590-K594 WeakPolarHBondContact O-CB 3.37Å; R590-K594 WeakPolarHBondContact O-CG 3.42Å; R590-K594 PolarHBondContact O-N 2.98Å; K594-N596 PolarHBondContact O-N 3.05Å |
| 595 | N | 81.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.5 | -16.4 | 175.2 | -172.2 | 40.4 | 0 | 0 | 0 | 112.8 | F466 L527 D528 F591 V592 E593 D597 S639 V640 G641 | F466-N595 HydrophobicContact CE1-CB 4.28Å; F466-N595 HydrophobicContact CE2-CB 4.38Å; F466-N595 HydrophobicContact CZ-CB 3.92Å; L527-N595 HydrophobicContact CD2-CB 3.74Å; L527-N595 HydrophobicContact CG-CB 4Å; D528-N595 PolarHBondContact OD1-ND2 2.8Å; F591-N595 VanDerWaalsContact O-CB 3.28Å; F591-N595 WeakPolarHBondContact O-CB 3.48Å; F591-N595 PolarHBondContact O-N 2.82Å; V592-N595 PolarHBondContact O-N 2.87Å; E593-N595 PolarHBondContact O-N 2.95Å; N595-D597 PolarHBondContact O-N 2.79Å; N595-S639 WeakPolarHBondContact ND2-CB 3.41Å; N595-S639 CarbonylContact O-C 3.47Å; N595-S639 VanDerWaalsContact O-CA 3.27Å; N595-S639 WeakPolarHBondContact O-CA 3.35Å; N595-S639 VanDerWaalsContact OD1-CB 3.31Å; N595-S639 WeakPolarHBondContact OD1-CB 3.46Å; N595-V640 PolarHBondContact O-N 2.96Å; N595-V640 PolarHBondContact OD1-N 2.87Å; N595-G641 PolarHBondContact OD1-N 3.05Å |
| 596 | N | 76.7 | Confident | 81.7 | Confident | 49 Ų | 49 | 33.5 Ų | 33.5 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -84.4 | 100.8 | -178.9 | -167 | 0.3 | 0 | 0 | 0 | 112.2 | V592 E593 K594 A598 F637 | V592-N596 PolarHBondContact O-N 2.78Å; E593-N596 PolarHBondContact O-N 2.91Å; K594-N596 PolarHBondContact O-N 3.05Å; N596-A598 VanDerWaalsContact OD1-CB 3.27Å; N596-A598 WeakPolarHBondContact OD1-CB 3.48Å; N596-A598 PolarHBondContact OD1-N 2.78Å; N596-F637 HydrophobicContact CB-CE2 4.36Å |
| 597 | D | 70.5 | Confident | 81.5 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | trans | -115.1 | 38.4 | 174.7 | -168.6 | 50.5 | 0 | 0 | 0 | 110.1 | K230 N595 I638 V640 K643 | K230-D597 IonicContact NZ-OD1 2.67Å; K230-D597 IonicContact NZ-OD2 3.17Å; K230-D597 PolarHBondContact NZ-OD2 2.79Å; N595-D597 PolarHBondContact O-N 2.79Å; D597-I638 CarbonylContact C-O 3.37Å; D597-V640 HydrophobicContact CB-CG2 3.67Å; D597-K643 VanDerWaalsContact CG-NZ 3.35Å; D597-K643 PolarHBondContact O-NZ 2.79Å; D597-K643 WeakPolarHBondContact OD2-CD 3.35Å; D597-K643 WeakPolarHBondContact OD2-CE 3.4Å; D597-K643 IonicContact OD2-NZ 3.3Å; D597-K643 PolarHBondContact OD2-NZ 2.87Å | ||
| 598 | A | 68.1 | Low | 81.1 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | trans | -92.3 | 95 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N596 | N596-A598 VanDerWaalsContact OD1-CB 3.27Å; N596-A598 WeakPolarHBondContact OD1-CB 3.48Å; N596-A598 PolarHBondContact OD1-N 2.78Å | ||
| 599 | L | 75.4 | Confident | 81 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | trans | -66 | 136.8 | 169.6 | -172.3 | 63.3 | 0 | 0 | 0 | 110.4 | L421 A424 L603 E604 F619 | L421-L599 HydrophobicContact CB-CD1 4.19Å; L421-L599 HydrophobicContact CD1-CD1 4.34Å; A424-L599 HydrophobicContact CB-CD2 4.05Å; L599-L603 HydrophobicContact CD1-CB 3.81Å; L599-L603 HydrophobicContact CD1-CD1 4.23Å; L599-L603 HydrophobicContact CG-CB 4.37Å; L599-E604 HydrophobicContact CD2-CB 3.87Å; L599-E604 HydrophobicContact CD2-CG 4.27Å; L599-E604 HydrophobicContact CG-CB 4.42Å; L599-F619 HydrophobicContact CD2-CE1 4.34Å | ||
| 600 | H | 74.4 | Confident | 81.2 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | trans | -73.3 | 139.3 | 172.7 | -68.3 | -46.2 | 0 | 0 | 0 | 110.9 | S602 L603 E604 | H600-S602 PolarHBondContact O-N 2.86Å; H600-S602 VanDerWaalsContact O-N 3.14Å; H600-L603 HydrophobicContact CB-CD1 4.38Å; H600-L603 HydrophobicContact CB-CG 4.46Å; H600-L603 PolarHBondContact O-N 2.95Å; H600-E604 PolarHBondContact O-N 3.44Å | ||
| 601 | M | 74.8 | Confident | 81.5 | Confident | 71 Ų | 71 | 38.4 Ų | 38.4 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.3 | -30.6 | 177.7 | -59.5 | -171.5 | -48 | 0 | 0 | 112.7 | L603 E604 S605 | M601-L603 VanDerWaalsContact C-N 3.34Å; M601-L603 PolarHBondContact O-N 3.17Å; M601-E604 PolarHBondContact O-N 2.8Å; M601-S605 WeakPolarHBondContact O-CB 3.43Å; M601-S605 PolarHBondContact O-N 2.82Å; M601-S605 PolarHBondContact O-OG 3.39Å |
| 602 | S | 79.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 173.3 | 40.3 | 0 | 0 | 0 | 0 | 112.8 | H600 L606 | H600-S602 PolarHBondContact O-N 2.86Å; H600-S602 VanDerWaalsContact O-N 3.14Å; S602-L606 VanDerWaalsContact O-CB 3.31Å; S602-L606 WeakPolarHBondContact O-CB 3.25Å; S602-L606 PolarHBondContact O-N 3.34Å |
| 603 | L | 84.8 | Confident | 82 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.1 | -35.6 | 176.4 | -66.3 | 171.7 | 0 | 0 | 0 | 111.8 | S387 L388 A417 L421 L599 H600 M601 V607 | S387-L603 WeakPolarHBondContact O-CD2 3.41Å; L388-L603 HydrophobicContact CD2-CD1 4.49Å; L388-L603 HydrophobicContact CD2-CD2 4.05Å; L388-L603 HydrophobicContact CG-CD2 4.4Å; A417-L603 HydrophobicContact CB-CD1 3.94Å; L421-L603 HydrophobicContact CD2-CD2 4.36Å; L599-L603 HydrophobicContact CD1-CB 3.81Å; L599-L603 HydrophobicContact CD1-CD1 4.23Å; L599-L603 HydrophobicContact CG-CB 4.37Å; H600-L603 HydrophobicContact CB-CD1 4.38Å; H600-L603 HydrophobicContact CB-CG 4.46Å; H600-L603 PolarHBondContact O-N 2.95Å; M601-L603 VanDerWaalsContact C-N 3.34Å; M601-L603 PolarHBondContact O-N 3.17Å; L603-V607 WeakPolarHBondContact O-CG2 3.45Å; L603-V607 PolarHBondContact O-N 3.46Å |
| 604 | E | 83.1 | Confident | 82.6 | Confident | 63 Ų | 63 | 43.4 Ų | 43.4 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 174.3 | -166.6 | 169.6 | -162.6 | 0 | 0 | 111.7 | L599 H600 M601 V607 C608 F619 | L599-E604 HydrophobicContact CD2-CB 3.87Å; L599-E604 HydrophobicContact CD2-CG 4.27Å; L599-E604 HydrophobicContact CG-CB 4.42Å; H600-E604 PolarHBondContact O-N 3.44Å; M601-E604 PolarHBondContact O-N 2.8Å; E604-V607 PolarHBondContact O-N 3.06Å; E604-C608 PolarHBondContact O-N 2.88Å; E604-C608 VanDerWaalsContact O-N 3.14Å; E604-C608 PolarHBondContact O-SG 2.6Å; E604-F619 HydrophobicContact CG-CD1 4.38Å |
| 605 | S | 82.8 | Confident | 83.2 | Confident | 59 Ų | 59 | 42 Ų | 42 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 172.1 | -79.2 | 0 | 0 | 0 | 0 | 112.3 | M601 V607 C608 E609 | M601-S605 WeakPolarHBondContact O-CB 3.43Å; M601-S605 PolarHBondContact O-N 2.82Å; M601-S605 PolarHBondContact O-OG 3.39Å; S605-V607 VanDerWaalsContact C-N 3.27Å; S605-V607 PolarHBondContact O-N 3.37Å; S605-C608 CarbonylContact O-C 3.51Å; S605-C608 WeakPolarHBondContact O-CA 3.33Å; S605-C608 WeakPolarHBondContact O-CB 3.35Å; S605-C608 PolarHBondContact O-N 3.48Å; S605-C608 VanDerWaalsContact O-N 3.08Å; S605-E609 WeakPolarHBondContact O-CB 3.38Å; S605-E609 WeakPolarHBondContact O-CG 3.28Å; S605-E609 PolarHBondContact O-N 3.13Å |
| 606 | L | 87.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -40.5 | -180 | 176.2 | 62 | 0 | 0 | 0 | 112.6 | L379 D383 L384 S602 E609 S610 | L379-L606 HydrophobicContact CD1-CD2 4.3Å; L379-L606 HydrophobicContact CD1-CG 4.31Å; L379-L606 HydrophobicContact CD2-CD1 4.5Å; L379-L606 HydrophobicContact CD2-CG 4.25Å; L379-L606 WeakPolarHBondContact CD2-O 3.41Å; D383-L606 HydrophobicContact CB-CD1 3.89Å; L384-L606 HydrophobicContact CB-CD2 4.13Å; L384-L606 HydrophobicContact CD1-CD2 3.85Å; S602-L606 VanDerWaalsContact O-CB 3.31Å; S602-L606 WeakPolarHBondContact O-CB 3.25Å; S602-L606 PolarHBondContact O-N 3.34Å; L606-E609 CarbonylContact O-C 3.49Å; L606-E609 PolarHBondContact O-N 3.29Å; L606-S610 PolarHBondContact O-N 2.96Å |
| 607 | V | 87.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.5 | -36.4 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | L421 L603 E604 S605 E609 S610 V615 F619 | L421-V607 HydrophobicContact CD1-CG2 3.73Å; L603-V607 WeakPolarHBondContact O-CG2 3.45Å; L603-V607 PolarHBondContact O-N 3.46Å; E604-V607 PolarHBondContact O-N 3.06Å; S605-V607 VanDerWaalsContact C-N 3.27Å; S605-V607 PolarHBondContact O-N 3.37Å; V607-E609 PolarHBondContact O-N 3.22Å; V607-S610 VanDerWaalsContact O-CB 3.27Å; V607-S610 WeakPolarHBondContact O-CB 3.29Å; V607-S610 PolarHBondContact O-N 2.96Å; V607-V615 HydrophobicContact CG1-CG1 3.49Å; V607-V615 VanDerWaalsContact CG1-CG1 3.49Å; V607-F619 HydrophobicContact CB-CD2 4.49Å; V607-F619 HydrophobicContact CB-CE2 4.49Å; V607-F619 HydrophobicContact CG1-CD1 4.35Å; V607-F619 HydrophobicContact CG1-CD2 3.5Å; V607-F619 VanDerWaalsContact CG1-CD2 3.5Å; V607-F619 HydrophobicContact CG1-CE1 4.35Å; V607-F619 HydrophobicContact CG1-CE2 3.52Å; V607-F619 HydrophobicContact CG1-CG 3.96Å; V607-F619 HydrophobicContact CG1-CZ 3.96Å |
| 608 | C | 85 | Confident | 85.1 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -22.8 | 170.6 | -69.8 | 0 | 0 | 0 | 0 | 113.4 | E604 S605 R616 | E604-C608 PolarHBondContact O-N 2.88Å; E604-C608 VanDerWaalsContact O-N 3.14Å; E604-C608 PolarHBondContact O-SG 2.6Å; S605-C608 CarbonylContact O-C 3.51Å; S605-C608 WeakPolarHBondContact O-CA 3.33Å; S605-C608 WeakPolarHBondContact O-CB 3.35Å; S605-C608 PolarHBondContact O-N 3.48Å; S605-C608 VanDerWaalsContact O-N 3.08Å; C608-R616 VanDerWaalsContact O-CD 3.23Å; C608-R616 WeakPolarHBondContact O-CD 3.35Å; C608-R616 WeakPolarHBondContact O-CG 3.41Å |
| 609 | E | 87.4 | Confident | 85.8 | Confident | 149 Ų | 149 | 45.9 Ų | 45.9 | 70% | 0.696 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.5 | 176.9 | -71 | 166.9 | -151.5 | 0 | 0 | 113 | S605 L606 V607 | S605-E609 WeakPolarHBondContact O-CB 3.38Å; S605-E609 WeakPolarHBondContact O-CG 3.28Å; S605-E609 PolarHBondContact O-N 3.13Å; L606-E609 CarbonylContact O-C 3.49Å; L606-E609 PolarHBondContact O-N 3.29Å; V607-E609 PolarHBondContact O-N 3.22Å |
| 610 | S | 91.6 | Very high | 85.6 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -55 | 139.8 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 112.7 | L377 G378 L606 V607 D612 R616 | L377-S610 PolarHBondContact O-OG 3.24Å; G378-S610 WeakPolarHBondContact CA-OG 3.3Å; G378-S610 PolarHBondContact O-OG 3.01Å; L606-S610 PolarHBondContact O-N 2.96Å; V607-S610 VanDerWaalsContact O-CB 3.27Å; V607-S610 WeakPolarHBondContact O-CB 3.29Å; V607-S610 PolarHBondContact O-N 2.96Å; S610-D612 PolarHBondContact O-N 2.96Å; S610-D612 PolarHBondContact OG-N 2.83Å; S610-D612 VanDerWaalsContact OG-N 3.15Å; S610-R616 WeakPolarHBondContact O-CD 3.42Å; S610-R616 PolarHBondContact O-NE 2.84Å | ||
| 611 | K | 91.6 | Very high | 84.6 | Confident | 138 Ų | 138 | 52.8 Ų | 52.8 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -65.6 | -30.8 | 173.5 | -61.8 | 160.1 | -171 | 164.5 | 0 | 110.3 | G378 D380 R616 | G378-K611 WeakPolarHBondContact O-CB 3.17Å; G378-K611 PolarHBondContact O-N 3.19Å; D380-K611 IonicContact OD2-NZ 3.57Å; D380-K611 PolarHBondContact OD2-NZ 3.27Å; K611-R616 PolarHBondContact O-NH2 3.32Å |
| 612 | D | 91 | Very high | 83.3 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | trans | -68.2 | 142.8 | 174.6 | -179.8 | -141 | 0 | 0 | 0 | 111.9 | R337 S610 F614 V615 R616 | R337-D612 IonicContact CZ-OD1 3.23Å; R337-D612 IonicContact NH2-OD1 2.76Å; R337-D612 PolarHBondContact NH2-OD1 3.24Å; R337-D612 IonicContact NH2-OD2 3.55Å; R337-D612 PolarHBondContact NH2-OD2 2.97Å; S610-D612 PolarHBondContact O-N 2.96Å; S610-D612 PolarHBondContact OG-N 2.83Å; S610-D612 VanDerWaalsContact OG-N 3.15Å; D612-F614 PolarHBondContact OD1-N 2.86Å; D612-F614 PolarHBondContact OD2-N 2.92Å; D612-V615 HydrophobicContact CB-CB 4.23Å; D612-V615 HydrophobicContact CB-CG2 4.44Å; D612-V615 VanDerWaalsContact OD1-CG2 3.27Å; D612-V615 WeakPolarHBondContact OD1-CG2 3.12Å; D612-V615 PolarHBondContact OD1-N 3.1Å; D612-R616 PolarHBondContact O-NE 3.27Å | ||
| 613 | K | 90.8 | Very high | 81.3 | Confident | 136 Ų | 136 | 54.9 Ų | 54.9 | 59% | 0.591 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -81.9 | -40.2 | 178.3 | -175.2 | 170.5 | 179.4 | -74.3 | 0 | 111.4 | R616 E617 | K613-R616 PolarHBondContact O-N 3.45Å; K613-E617 IonicContact NZ-OE1 3.76Å; K613-E617 PolarHBondContact NZ-OE1 3.25Å; K613-E617 PolarHBondContact O-N 3.32Å; K613-E617 VanDerWaalsContact O-N 3.13Å |
| 614 | F | 91.6 | Very high | 78.9 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66 | -48.2 | -177.2 | -178.8 | -101.6 | 0 | 0 | 0 | 111.5 | D334 L335 V338 L429 H432 D612 R616 E617 L618 | D334-F614 HydrophobicContact CB-CB 4.09Å; D334-F614 HydrophobicContact CB-CD1 3.79Å; D334-F614 HydrophobicContact CB-CD2 4.06Å; D334-F614 HydrophobicContact CB-CE1 4.21Å; D334-F614 HydrophobicContact CB-CE2 4.46Å; D334-F614 HydrophobicContact CB-CG 3.71Å; L335-F614 HydrophobicContact CD2-CE1 4.47Å; L335-F614 HydrophobicContact CD2-CZ 3.85Å; V338-F614 HydrophobicContact CG2-CD1 3.85Å; V338-F614 HydrophobicContact CG2-CE1 3.86Å; L429-F614 HydrophobicContact CD1-CE1 3.7Å; L429-F614 HydrophobicContact CD1-CZ 3.95Å; H432-F614 AromaticContact CE1-CE2 3.53Å; H432-F614 AromaticContact ND1-CE2 3.91Å; H432-F614 AromaticContact NE2-CE2 3.66Å; D612-F614 PolarHBondContact OD1-N 2.86Å; D612-F614 PolarHBondContact OD2-N 2.92Å; F614-R616 VanDerWaalsContact C-N 3.26Å; F614-R616 PolarHBondContact O-N 3.39Å; F614-E617 PolarHBondContact O-N 2.86Å; F614-E617 VanDerWaalsContact O-N 3.15Å; F614-L618 HydrophobicContact CD1-CD1 4.33Å; F614-L618 HydrophobicContact CE1-CD1 3.95Å; F614-L618 HydrophobicContact CE1-CD2 4.21Å; F614-L618 HydrophobicContact CE1-CG 4.22Å; F614-L618 HydrophobicContact CZ-CD2 4.04Å; F614-L618 WeakPolarHBondContact O-CG 3.36Å; F614-L618 PolarHBondContact O-N 3.14Å |
| 615 | V | 90.8 | Very high | 76.7 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.6 | -35.6 | 176.1 | 166.2 | 0 | 0 | 0 | 0 | 112.9 | V338 L377 V607 D612 L618 | V338-V615 HydrophobicContact CG2-CG2 3.86Å; L377-V615 HydrophobicContact CD2-CG2 4.42Å; V607-V615 HydrophobicContact CG1-CG1 3.49Å; V607-V615 VanDerWaalsContact CG1-CG1 3.49Å; D612-V615 HydrophobicContact CB-CB 4.23Å; D612-V615 HydrophobicContact CB-CG2 4.44Å; D612-V615 VanDerWaalsContact OD1-CG2 3.27Å; D612-V615 WeakPolarHBondContact OD1-CG2 3.12Å; D612-V615 PolarHBondContact OD1-N 3.1Å; V615-L618 WeakPolarHBondContact O-CB 3.44Å |
| 616 | R | 90.8 | Very high | 74.4 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.2 | -45.7 | 174.2 | -77 | -177.4 | -75.3 | 165.9 | -15.4 | 113 | C608 S610 K611 D612 K613 F614 L618 F619 E620 | C608-R616 VanDerWaalsContact O-CD 3.23Å; C608-R616 WeakPolarHBondContact O-CD 3.35Å; C608-R616 WeakPolarHBondContact O-CG 3.41Å; S610-R616 WeakPolarHBondContact O-CD 3.42Å; S610-R616 PolarHBondContact O-NE 2.84Å; K611-R616 PolarHBondContact O-NH2 3.32Å; D612-R616 PolarHBondContact O-NE 3.27Å; K613-R616 PolarHBondContact O-N 3.45Å; F614-R616 VanDerWaalsContact C-N 3.26Å; F614-R616 PolarHBondContact O-N 3.39Å; R616-L618 PolarHBondContact O-N 2.74Å; R616-L618 VanDerWaalsContact O-N 3.14Å; R616-F619 PolarHBondContact O-N 3.26Å; R616-E620 WeakPolarHBondContact O-CG 3.48Å; R616-E620 PolarHBondContact O-N 2.79Å |
| 617 | E | 88.9 | Confident | 72 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.5 | -28 | 178.1 | -74.9 | -177.9 | -152.9 | 0 | 0 | 113.2 | K613 F614 F619 N621 | K613-E617 IonicContact NZ-OE1 3.76Å; K613-E617 PolarHBondContact NZ-OE1 3.25Å; K613-E617 PolarHBondContact O-N 3.32Å; K613-E617 VanDerWaalsContact O-N 3.13Å; F614-E617 PolarHBondContact O-N 2.86Å; F614-E617 VanDerWaalsContact O-N 3.15Å; E617-F619 VanDerWaalsContact C-N 3.25Å; E617-F619 PolarHBondContact O-N 2.83Å; E617-N621 PolarHBondContact O-ND2 3.37Å |
| 618 | L | 88.3 | Confident | 69.7 | Low | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.5 | -27.7 | 172.2 | -64.9 | -175.5 | 0 | 0 | 0 | 113.2 | V338 R428 L429 H432 F614 V615 R616 | V338-L618 HydrophobicContact CG1-CD1 4.4Å; V338-L618 HydrophobicContact CG2-CD1 4.45Å; R428-L618 HydrophobicContact CB-CB 3.92Å; R428-L618 WeakPolarHBondContact CD-O 3.49Å; R428-L618 WeakPolarHBondContact CG-O 3.47Å; L429-L618 HydrophobicContact CD1-CD1 4.13Å; H432-L618 HydrophobicContact CB-CD2 3.46Å; H432-L618 VanDerWaalsContact CB-CD2 3.46Å; F614-L618 HydrophobicContact CD1-CD1 4.33Å; F614-L618 HydrophobicContact CE1-CD1 3.95Å; F614-L618 HydrophobicContact CE1-CD2 4.21Å; F614-L618 HydrophobicContact CE1-CG 4.22Å; F614-L618 HydrophobicContact CZ-CD2 4.04Å; F614-L618 WeakPolarHBondContact O-CG 3.36Å; F614-L618 PolarHBondContact O-N 3.14Å; V615-L618 WeakPolarHBondContact O-CB 3.44Å; R616-L618 PolarHBondContact O-N 2.74Å; R616-L618 VanDerWaalsContact O-N 3.14Å |
| 619 | F | 83.3 | Confident | 67.5 | Low | 2 Ų | 2 | 83.3 Ų | 83.3 | 1% | 0.009 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -108.9 | -31.2 | -174.4 | -77.5 | -105.2 | 0 | 0 | 0 | 114 | A424 V425 R428 L599 E604 V607 R616 E617 N621 S622 | A424-F619 HydrophobicContact CB-CZ 4.39Å; V425-F619 HydrophobicContact CG2-CE2 4.15Å; V425-F619 HydrophobicContact CG2-CZ 3.96Å; R428-F619 HydrophobicContact CB-CE2 4.36Å; R428-F619 HydrophobicContact CG-CD2 4.34Å; R428-F619 HydrophobicContact CG-CE1 4.49Å; R428-F619 HydrophobicContact CG-CE2 4Å; R428-F619 HydrophobicContact CG-CZ 4.09Å; L599-F619 HydrophobicContact CD2-CE1 4.34Å; E604-F619 HydrophobicContact CG-CD1 4.38Å; V607-F619 HydrophobicContact CB-CD2 4.49Å; V607-F619 HydrophobicContact CB-CE2 4.49Å; V607-F619 HydrophobicContact CG1-CD1 4.35Å; V607-F619 HydrophobicContact CG1-CD2 3.5Å; V607-F619 VanDerWaalsContact CG1-CD2 3.5Å; V607-F619 HydrophobicContact CG1-CE1 4.35Å; V607-F619 HydrophobicContact CG1-CE2 3.52Å; V607-F619 HydrophobicContact CG1-CG 3.96Å; V607-F619 HydrophobicContact CG1-CZ 3.96Å; R616-F619 PolarHBondContact O-N 3.26Å; E617-F619 VanDerWaalsContact C-N 3.25Å; E617-F619 PolarHBondContact O-N 2.83Å; F619-N621 PolarHBondContact O-N 2.84Å; F619-S622 PolarHBondContact O-N 3.5Å; F619-S622 PolarHBondContact O-OG 3.04Å |
| 620 | E | 71.6 | Confident | 65.2 | Low | 102 Ų | 102 | 84.9 Ų | 84.9 | 48% | 0.477 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -49.5 | -31.6 | -178.4 | -80.2 | 176 | -178.6 | 0 | 0 | 114.4 | R616 S622 S623 | R616-E620 WeakPolarHBondContact O-CG 3.48Å; R616-E620 PolarHBondContact O-N 2.79Å; E620-S622 PolarHBondContact O-N 3.15Å; E620-S623 WeakPolarHBondContact O-CB 3.23Å; E620-S623 PolarHBondContact O-N 2.79Å; E620-S623 PolarHBondContact O-OG 2.65Å |
| 621 | N | 53.8 | Low | 62.8 | Low | 101 Ų | 101 | 92.9 Ų | 92.9 | 54% | 0.54 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -7.6 | 179.9 | -64.4 | -86.7 | 0 | 0 | 0 | 114.5 | E617 F619 | E617-N621 PolarHBondContact O-ND2 3.37Å; F619-N621 PolarHBondContact O-N 2.84Å |
| 622 | S | 47.9 | Very low | 60.3 | Low | 48 Ų | 48 | 89.5 Ų | 89.5 | 34% | 0.336 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18.8 | 171.4 | 69.3 | 0 | 0 | 0 | 0 | 114.1 | F619 E620 | F619-S622 PolarHBondContact O-N 3.5Å; F619-S622 PolarHBondContact O-OG 3.04Å; E620-S622 PolarHBondContact O-N 3.15Å |
| 623 | S | 37.1 | Very low | 57.8 | Low | 79 Ų | 79 | 88.9 Ų | 88.9 | 55% | 0.552 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.6 | -162.1 | 66.3 | 0 | 0 | 0 | 0 | 115.9 | E620 S625 | E620-S623 WeakPolarHBondContact O-CB 3.23Å; E620-S623 PolarHBondContact O-N 2.79Å; E620-S623 PolarHBondContact O-OG 2.65Å; S623-S625 VanDerWaalsContact C-N 3.32Å; S623-S625 PolarHBondContact O-N 2.95Å |
| 624 | T | 34.3 | Very low | 55.6 | Low | 122 Ų | 122 | 91 Ų | 91 | 75% | 0.748 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.6 | -167.9 | 45.8 | 0 | 0 | 0 | 0 | 115.1 | K626 | T624-K626 PolarHBondContact O-N 3.1Š|
| 625 | S | 37.3 | Very low | 53.4 | Low | 73 Ų | 73 | 93.5 Ų | 93.5 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | trans | -76.7 | 107.5 | 170.5 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | S623 D627 S628 | S623-S625 VanDerWaalsContact C-N 3.32Å; S623-S625 PolarHBondContact O-N 2.95Å; S625-D627 PolarHBondContact O-N 3.36Å; S625-S628 PolarHBondContact O-N 3.26Å | ||
| 626 | K | 35.1 | Very low | 51.6 | Low | 199 Ų | 199 | 95.6 Ų | 95.6 | 87% | 0.865 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -61.4 | -10.4 | -172.2 | -67.6 | -177.4 | 177.2 | 178.1 | 0 | 116.1 | T624 S628 | T624-K626 PolarHBondContact O-N 3.1Å; K626-S628 VanDerWaalsContact C-N 3.33Å; K626-S628 PolarHBondContact O-N 2.77Å |
| 627 | D | 36.2 | Very low | 50.1 | Low | 128 Ų | 128 | 94 Ų | 94 | 68% | 0.684 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -81.4 | -2.5 | -180 | -65.4 | -48 | 0 | 0 | 0 | 115 | S625 K629 Q630 | S625-D627 PolarHBondContact O-N 3.36Å; D627-K629 PolarHBondContact O-N 3.32Å; D627-Q630 PolarHBondContact O-N 3.07Å |
| 628 | S | 39.5 | Very low | 48.9 | Very low | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -51.1 | -32.6 | -176.6 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | S625 K626 Q630 K631 | S625-S628 PolarHBondContact O-N 3.26Å; K626-S628 VanDerWaalsContact C-N 3.33Å; K626-S628 PolarHBondContact O-N 2.77Å; S628-Q630 PolarHBondContact O-N 3.34Å; S628-Q630 VanDerWaalsContact O-N 3.15Å; S628-K631 PolarHBondContact O-N 3.05Å |
| 629 | K | 39.9 | Very low | 48.1 | Very low | 195 Ų | 195 | 94 Ų | 94 | 85% | 0.848 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -62.6 | -17 | 178.3 | -69.3 | -170.2 | 176.1 | -175.4 | 0 | 115.4 | D627 | D627-K629 PolarHBondContact O-N 3.32Š|
| 630 | Q | 39 | Very low | 47.4 | Very low | 182 Ų | 182 | 95.7 Ų | 95.7 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -92.3 | -6.1 | 177.9 | -69.5 | -164.6 | 5.1 | 0 | 0 | 115 | D627 S628 | D627-Q630 PolarHBondContact O-N 3.07Å; S628-Q630 PolarHBondContact O-N 3.34Å; S628-Q630 VanDerWaalsContact O-N 3.15Å |
| 631 | K | 39.7 | Very low | 47.2 | Very low | 171 Ų | 171 | 90.9 Ų | 90.9 | 74% | 0.743 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -100.1 | -6.7 | 179 | -72.9 | -177.7 | 178.8 | 174 | 0 | 114.7 | S628 G633 | S628-K631 PolarHBondContact O-N 3.05Å; K631-G633 PolarHBondContact O-N 3.23Å |
| 632 | A | 38.9 | Very low | 48 | Very low | 66 Ų | 66 | 87.2 Ų | 87.2 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 97.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L394 | L394-A632 HydrophobicContact CD1-CB 3.94Š|
| 633 | G | 40.3 | Very low | 48.9 | Very low | 17 Ų | 17 | 87.5 Ų | 87.5 | 18% | 0.175 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 144 | -13.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | K631 | K631-G633 PolarHBondContact O-N 3.23Š|
| 634 | K | 43 | Very low | 50.3 | Low | 182 Ų | 182 | 84.9 Ų | 84.9 | 79% | 0.791 | 45% | 0.447 | S | S | * | . | trans | -117.2 | 125.5 | 169.4 | -98.8 | -175.4 | 173.3 | -178.3 | 0 | 110.7 | G636 | K634-G636 VanDerWaalsContact C-N 3.29Å; K634-G636 PolarHBondContact O-N 3.39Å | ||
| 635 | L | 45.3 | Very low | 51.7 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | trans | -61.6 | 96.5 | 156.3 | -90.2 | 160.7 | 0 | 0 | 0 | 107.6 | F637 | L635-F637 PolarHBondContact O-N 2.93Š| ||
| 636 | G | 53.9 | Low | 52.3 | Low | 46 Ų | 46 | 82.1 Ų | 82.1 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | trans | -68.2 | 126.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | K634 I638 | K634-G636 VanDerWaalsContact C-N 3.29Å; K634-G636 PolarHBondContact O-N 3.39Å; G636-I638 WeakPolarHBondContact O-CG1 3.5Å; G636-I638 PolarHBondContact O-N 3.17Å | ||
| 637 | F | 58.8 | Low | 52.7 | Low | 48 Ų | 48 | 78.1 Ų | 78.1 | 21% | 0.211 | 40% | 0.399 | C | S | . | . | trans | -67.3 | 116.2 | 167.9 | 171 | -109.2 | 0 | 0 | 0 | 108.9 | D528 N531 R532 N596 L635 S639 | D528-F637 HydrophobicContact CB-CE1 4.17Å; N531-F637 HydrophobicContact CB-CD1 4.23Å; N531-F637 HydrophobicContact CB-CD2 4.07Å; N531-F637 HydrophobicContact CB-CE1 3.61Å; N531-F637 HydrophobicContact CB-CE2 3.45Å; N531-F637 VanDerWaalsContact CB-CE2 3.45Å; N531-F637 HydrophobicContact CB-CG 4.43Å; N531-F637 HydrophobicContact CB-CZ 3.18Å; N531-F637 WeakPolarHBondContact OD1-CE2 3.39Å; R532-F637 HydrophobicContact CG-CB 4.5Å; R532-F637 HydrophobicContact CG-CD1 4.32Å; N596-F637 HydrophobicContact CB-CE2 4.36Å; L635-F637 PolarHBondContact O-N 2.93Å; F637-S639 VanDerWaalsContact CE1-CB 3.47Å | ||
| 638 | I | 65 | Low | 53.5 | Low | 76 Ų | 76 | 75.8 Ų | 75.8 | 39% | 0.39 | 39% | 0.39 | S | S | . | . | trans | -111.9 | 88.9 | -179.5 | -48.8 | 175.4 | 0 | 0 | 0 | 108.9 | D597 G636 K643 | D597-I638 CarbonylContact C-O 3.37Å; G636-I638 WeakPolarHBondContact O-CG1 3.5Å; G636-I638 PolarHBondContact O-N 3.17Å; I638-K643 HydrophobicContact CG2-CD 4.01Å; I638-K643 HydrophobicContact CG2-CG 4.15Å | ||
| 639 | S | 70.6 | Confident | 54.6 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 149.4 | 175.8 | 39.7 | 0 | 0 | 0 | 0 | 113.7 | D528 N595 F637 N642 K643 | D528-S639 WeakPolarHBondContact OD1-CB 3.24Å; D528-S639 PolarHBondContact OD1-OG 3.35Å; D528-S639 PolarHBondContact OD2-OG 3.04Å; N595-S639 WeakPolarHBondContact ND2-CB 3.41Å; N595-S639 CarbonylContact O-C 3.47Å; N595-S639 VanDerWaalsContact O-CA 3.27Å; N595-S639 WeakPolarHBondContact O-CA 3.35Å; N595-S639 VanDerWaalsContact OD1-CB 3.31Å; N595-S639 WeakPolarHBondContact OD1-CB 3.46Å; F637-S639 VanDerWaalsContact CE1-CB 3.47Å; S639-N642 PolarHBondContact O-N 3.3Å; S639-N642 VanDerWaalsContact OG-CB 3.24Å; S639-N642 WeakPolarHBondContact OG-CB 3.5Å; S639-N642 PolarHBondContact OG-N 3.11Å; S639-N642 VanDerWaalsContact OG-N 3.08Å; S639-N642 PolarHBondContact OG-ND2 3.24Å; S639-K643 PolarHBondContact O-N 3.1Å |
| 640 | V | 69 | Low | 56.1 | Low | 37 Ų | 37 | 66.5 Ų | 66.5 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.8 | -43.5 | 160.4 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | F466 N595 D597 N642 K643 F644 | F466-V640 HydrophobicContact CE1-CB 3.85Å; F466-V640 HydrophobicContact CE1-CG1 3.83Å; F466-V640 HydrophobicContact CE1-CG2 4.37Å; F466-V640 HydrophobicContact CZ-CB 4.07Å; F466-V640 HydrophobicContact CZ-CG1 4.18Å; N595-V640 PolarHBondContact O-N 2.96Å; N595-V640 PolarHBondContact OD1-N 2.87Å; D597-V640 HydrophobicContact CB-CG2 3.67Å; V640-N642 PolarHBondContact O-N 3.42Å; V640-K643 WeakPolarHBondContact O-CB 3.45Å; V640-K643 PolarHBondContact O-N 2.87Å; V640-K643 VanDerWaalsContact O-N 3.1Å; V640-F644 WeakPolarHBondContact O-CB 3.32Å; V640-F644 PolarHBondContact O-N 3.33Å |
| 641 | G | 67.1 | Low | 58.1 | Low | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -52.4 | -48.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | N595 F644 K645 | N595-G641 PolarHBondContact OD1-N 3.05Å; G641-F644 PolarHBondContact O-N 3.43Å; G641-K645 WeakPolarHBondContact O-CB 3.45Å; G641-K645 PolarHBondContact O-N 2.96Å |
| 642 | N | 69.3 | Low | 60.1 | Low | 24 Ų | 24 | 56.5 Ų | 56.5 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.9 | -33.2 | 175.1 | -80.1 | -46.4 | 0 | 0 | 0 | 113.8 | D528 S639 V640 F644 K646 Q647 | D528-N642 PolarHBondContact OD2-ND2 3.02Å; S639-N642 PolarHBondContact O-N 3.3Å; S639-N642 VanDerWaalsContact OG-CB 3.24Å; S639-N642 WeakPolarHBondContact OG-CB 3.5Å; S639-N642 PolarHBondContact OG-N 3.11Å; S639-N642 VanDerWaalsContact OG-N 3.08Å; S639-N642 PolarHBondContact OG-ND2 3.24Å; V640-N642 PolarHBondContact O-N 3.42Å; N642-F644 VanDerWaalsContact C-N 3.29Å; N642-K646 WeakPolarHBondContact O-CA 3.42Å; N642-K646 WeakPolarHBondContact O-CB 3.24Å; N642-K646 PolarHBondContact O-N 3.16Å; N642-K646 VanDerWaalsContact OD1-CD 3.25Å; N642-K646 WeakPolarHBondContact OD1-CD 3.35Å; N642-K646 WeakPolarHBondContact OD1-CE 3.39Å; N642-K646 PolarHBondContact OD1-NZ 3.17Å; N642-Q647 PolarHBondContact O-N 3.32Å; N642-Q647 VanDerWaalsContact O-N 3.09Å |
| 643 | K | 68.4 | Low | 62.2 | Low | 55 Ų | 55 | 53.6 Ų | 53.6 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 171.3 | -80.8 | 161.2 | 168.3 | 152.3 | 0 | 110.5 | D597 I638 S639 V640 Q647 | D597-K643 VanDerWaalsContact CG-NZ 3.35Å; D597-K643 PolarHBondContact O-NZ 2.79Å; D597-K643 WeakPolarHBondContact OD2-CD 3.35Å; D597-K643 WeakPolarHBondContact OD2-CE 3.4Å; D597-K643 IonicContact OD2-NZ 3.3Å; D597-K643 PolarHBondContact OD2-NZ 2.87Å; I638-K643 HydrophobicContact CG2-CD 4.01Å; I638-K643 HydrophobicContact CG2-CG 4.15Å; S639-K643 PolarHBondContact O-N 3.1Å; V640-K643 WeakPolarHBondContact O-CB 3.45Å; V640-K643 PolarHBondContact O-N 2.87Å; V640-K643 VanDerWaalsContact O-N 3.1Å; K643-Q647 CarbonylContact O-C 3.52Å; K643-Q647 WeakPolarHBondContact O-CA 3.1Å; K643-Q647 WeakPolarHBondContact O-CB 3.17Å; K643-Q647 PolarHBondContact O-N 2.79Å |
| 644 | F | 65.3 | Low | 64.4 | Low | 23 Ų | 23 | 53.2 Ų | 53.2 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 178.9 | -149.8 | -77.4 | 0 | 0 | 0 | 113.2 | L227 C470 Y473 C474 V640 G641 N642 L650 | L227-F644 HydrophobicContact CD1-CE1 4.34Å; L227-F644 HydrophobicContact CD1-CE2 3.97Å; L227-F644 HydrophobicContact CD1-CZ 3.63Å; L227-F644 HydrophobicContact CD2-CD2 3.86Å; L227-F644 HydrophobicContact CD2-CE1 4.42Å; L227-F644 HydrophobicContact CD2-CE2 3.63Å; L227-F644 HydrophobicContact CD2-CG 4.36Å; L227-F644 HydrophobicContact CD2-CZ 3.94Å; L227-F644 HydrophobicContact CG-CE2 4.24Å; L227-F644 HydrophobicContact CG-CZ 4.35Å; C470-F644 HydrophobicContact CB-CD2 4.27Å; C470-F644 HydrophobicContact CB-CE2 3.66Å; C470-F644 HydrophobicContact CB-CZ 4.08Å; C470-F644 WeakPolarHBondContact O-CZ 3.43Å; Y473-F644 AromaticContact CD1-CD1 3.84Å; Y473-F644 HydrophobicContact CD1-CD1 3.84Å; Y473-F644 AromaticContact CD1-CE1 3.54Å; Y473-F644 HydrophobicContact CD1-CE1 3.54Å; Y473-F644 HydrophobicContact CD1-CZ 4.48Å; Y473-F644 AromaticContact CE1-CD1 3.85Å; Y473-F644 HydrophobicContact CE1-CD1 3.85Å; Y473-F644 AromaticContact CE1-CE1 3.9Å; Y473-F644 HydrophobicContact CE1-CE1 3.9Å; C474-F644 HydrophobicContact CB-CE1 4.42Å; C474-F644 HydrophobicContact CB-CZ 4.08Å; V640-F644 WeakPolarHBondContact O-CB 3.32Å; V640-F644 PolarHBondContact O-N 3.33Å; G641-F644 PolarHBondContact O-N 3.43Å; N642-F644 VanDerWaalsContact C-N 3.29Å; F644-L650 HydrophobicContact CD1-CD2 4.42Å; F644-L650 HydrophobicContact CE1-CD2 3.83Å |
| 645 | K | 63.6 | Low | 66.6 | Low | 17 Ų | 17 | 50.1 Ų | 50.1 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -88.3 | -47.7 | -172.6 | 179.2 | 179.1 | 178.5 | 174.2 | 0 | 114.1 | E517 D525 G641 N651 | E517-K645 HydrophobicContact CB-CD 4.21Å; E517-K645 WeakPolarHBondContact O-CE 3.22Å; E517-K645 PolarHBondContact O-NZ 3.4Å; D525-K645 VanDerWaalsContact CG-NZ 3.26Å; D525-K645 IonicContact OD1-NZ 2.78Å; D525-K645 PolarHBondContact OD1-NZ 2.9Å; D525-K645 IonicContact OD2-NZ 3.52Å; G641-K645 WeakPolarHBondContact O-CB 3.45Å; G641-K645 PolarHBondContact O-N 2.96Å; K645-N651 PolarHBondContact O-ND2 3.46Å; K645-N651 VanDerWaalsContact O-ND2 3.1Å |
| 646 | K | 49.9 | Very low | 68.6 | Low | 121 Ų | 121 | 49.6 Ų | 49.6 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -103 | -24 | -171.6 | -58.5 | -169.8 | 175 | 97.4 | 0 | 113 | D525 N642 T648 | D525-K646 IonicContact OD1-NZ 3.88Å; N642-K646 WeakPolarHBondContact O-CA 3.42Å; N642-K646 WeakPolarHBondContact O-CB 3.24Å; N642-K646 PolarHBondContact O-N 3.16Å; N642-K646 VanDerWaalsContact OD1-CD 3.25Å; N642-K646 WeakPolarHBondContact OD1-CD 3.35Å; N642-K646 WeakPolarHBondContact OD1-CE 3.39Å; N642-K646 PolarHBondContact OD1-NZ 3.17Å; K646-T648 PolarHBondContact O-N 3.44Å |
| 647 | Q | 44.3 | Very low | 70.3 | Confident | 114 Ų | 114 | 47.4 Ų | 47.4 | 53% | 0.533 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -102.9 | 65.2 | -173.3 | -145.4 | 161.3 | 6.8 | 0 | 0 | 112.9 | N642 K643 Q649 | N642-Q647 PolarHBondContact O-N 3.32Å; N642-Q647 VanDerWaalsContact O-N 3.09Å; K643-Q647 CarbonylContact O-C 3.52Å; K643-Q647 WeakPolarHBondContact O-CA 3.1Å; K643-Q647 WeakPolarHBondContact O-CB 3.17Å; K643-Q647 PolarHBondContact O-N 2.79Å; Q647-Q649 VanDerWaalsContact C-N 3.29Å; Q647-Q649 PolarHBondContact O-N 3.4Å |
| 648 | T | 52.3 | Low | 71.8 | Confident | 79 Ų | 79 | 51 Ų | 51 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 60.2 | -34.7 | 158.4 | 37.8 | 0 | 0 | 0 | 0 | 120.5 | K646 L650 L652 | K646-T648 PolarHBondContact O-N 3.44Å; T648-L650 PolarHBondContact O-N 2.79Å; T648-L652 HydrophobicContact CG2-CD1 3.85Å; T648-L652 HydrophobicContact CG2-CD2 4.45Å; T648-L652 HydrophobicContact CG2-CG 3.93Å; T648-L652 WeakPolarHBondContact O-CB 3.17Å; T648-L652 VanDerWaalsContact O-CG 3.24Å; T648-L652 WeakPolarHBondContact O-CG 3.29Å; T648-L652 PolarHBondContact O-N 3.33Å |
| 649 | Q | 62.3 | Low | 73 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -59.9 | -166.9 | -81.3 | -164 | -6.6 | 0 | 0 | 114.9 | Y226 L227 Q647 L653 | Y226-Q649 HydrophobicContact CD1-CB 3.98Å; Y226-Q649 HydrophobicContact CD1-CG 4.23Å; Y226-Q649 WeakPolarHBondContact CD1-O 3.47Å; Y226-Q649 WeakPolarHBondContact CE1-O 3.29Å; L227-Q649 HydrophobicContact CD2-CB 4.44Å; Q647-Q649 VanDerWaalsContact C-N 3.29Å; Q647-Q649 PolarHBondContact O-N 3.4Å; Q649-L653 PolarHBondContact O-N 3.43Å |
| 650 | L | 73.1 | Confident | 74 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.5 | -37.7 | -178.1 | -177.7 | 56.5 | 0 | 0 | 0 | 112.5 | C474 K477 F644 T648 L653 L654 | C474-L650 HydrophobicContact CB-CD2 4.35Å; K477-L650 HydrophobicContact CB-CD2 4.21Å; K477-L650 HydrophobicContact CG-CD2 4.13Å; F644-L650 HydrophobicContact CD1-CD2 4.42Å; F644-L650 HydrophobicContact CE1-CD2 3.83Å; T648-L650 PolarHBondContact O-N 2.79Å; L650-L653 HydrophobicContact CD1-CD2 4.49Å; L650-L653 WeakPolarHBondContact O-CB 3.46Å; L650-L653 PolarHBondContact O-N 3.06Å; L650-L654 HydrophobicContact CD1-CD1 4.33Å; L650-L654 HydrophobicContact CD1-CG 4.33Å; L650-L654 HydrophobicContact CG-CD1 4.11Å; L650-L654 WeakPolarHBondContact O-CG 3.48Å; L650-L654 PolarHBondContact O-N 2.9Å |
| 651 | N | 79.8 | Confident | 75 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.8 | -38.8 | -178.9 | -76.2 | -35.2 | 0 | 0 | 0 | 112.8 | K645 L653 L654 E655 | K645-N651 PolarHBondContact O-ND2 3.46Å; K645-N651 VanDerWaalsContact O-ND2 3.1Å; N651-L653 VanDerWaalsContact C-N 3.3Å; N651-L653 PolarHBondContact O-N 2.72Å; N651-L654 PolarHBondContact O-N 3.18Å; N651-E655 WeakPolarHBondContact O-CB 3.48Å; N651-E655 VanDerWaalsContact O-CG 3.31Å; N651-E655 WeakPolarHBondContact O-CG 3.35Å; N651-E655 PolarHBondContact O-N 3.2Å |
| 652 | L | 81.4 | Confident | 76.2 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 47% | 0.466 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 170.7 | -72.1 | -179.2 | 0 | 0 | 0 | 111.7 | T648 K656 | T648-L652 HydrophobicContact CG2-CD1 3.85Å; T648-L652 HydrophobicContact CG2-CD2 4.45Å; T648-L652 HydrophobicContact CG2-CG 3.93Å; T648-L652 WeakPolarHBondContact O-CB 3.17Å; T648-L652 VanDerWaalsContact O-CG 3.24Å; T648-L652 WeakPolarHBondContact O-CG 3.29Å; T648-L652 PolarHBondContact O-N 3.33Å; L652-K656 WeakPolarHBondContact O-CB 3.46Å; L652-K656 PolarHBondContact O-N 3.41Å |
| 653 | L | 83.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 173.8 | 177 | 60 | 0 | 0 | 0 | 110.5 | F207 Y226 L453 Q649 L650 N651 K656 L657 | F207-L653 HydrophobicContact CD2-CD1 4.45Å; F207-L653 HydrophobicContact CG-CD1 4.4Å; Y226-L653 HydrophobicContact CD1-CB 4.45Å; Y226-L653 HydrophobicContact CD2-CD2 4.13Å; Y226-L653 HydrophobicContact CE1-CB 4.04Å; Y226-L653 HydrophobicContact CE2-CB 4.5Å; Y226-L653 HydrophobicContact CE2-CD1 3.95Å; Y226-L653 HydrophobicContact CE2-CD2 4.24Å; Y226-L653 HydrophobicContact CE2-CG 4.46Å; Y226-L653 HydrophobicContact CG-CD2 4.41Å; L453-L653 HydrophobicContact CD1-CD1 4.21Å; L453-L653 HydrophobicContact CD1-CD2 4.03Å; L453-L653 HydrophobicContact CD2-CD1 4.44Å; L453-L653 HydrophobicContact CD2-CD2 4.23Å; Q649-L653 PolarHBondContact O-N 3.43Å; L650-L653 HydrophobicContact CD1-CD2 4.49Å; L650-L653 WeakPolarHBondContact O-CB 3.46Å; L650-L653 PolarHBondContact O-N 3.06Å; N651-L653 VanDerWaalsContact C-N 3.3Å; N651-L653 PolarHBondContact O-N 2.72Å; L653-K656 PolarHBondContact O-N 2.8Å; L653-L657 HydrophobicContact CD1-CD1 4.38Å; L653-L657 HydrophobicContact CD1-CG 4.2Å; L653-L657 HydrophobicContact CG-CD1 4.28Å; L653-L657 VanDerWaalsContact O-CG 3.28Å; L653-L657 WeakPolarHBondContact O-CG 3.34Å; L653-L657 PolarHBondContact O-N 2.8Å |
| 654 | L | 87.1 | Confident | 78.5 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 178.4 | -68.1 | 168.3 | 0 | 0 | 0 | 112.9 | K477 L478 F481 L650 N651 L657 R658 | K477-L654 HydrophobicContact CB-CD1 4.27Å; K477-L654 HydrophobicContact CD-CD1 4.26Å; L478-L654 HydrophobicContact CD2-CD2 3.91Å; F481-L654 HydrophobicContact CB-CD2 4.01Å; F481-L654 HydrophobicContact CG-CD2 4.41Å; L650-L654 HydrophobicContact CD1-CD1 4.33Å; L650-L654 HydrophobicContact CD1-CG 4.33Å; L650-L654 HydrophobicContact CG-CD1 4.11Å; L650-L654 WeakPolarHBondContact O-CG 3.48Å; L650-L654 PolarHBondContact O-N 2.9Å; N651-L654 PolarHBondContact O-N 3.18Å; L654-L657 PolarHBondContact O-N 3.46Å; L654-R658 WeakPolarHBondContact O-CB 3.35Å; L654-R658 VanDerWaalsContact O-CG 3.27Å; L654-R658 WeakPolarHBondContact O-CG 3.28Å; L654-R658 PolarHBondContact O-N 3.36Å |
| 655 | E | 87.6 | Confident | 79.9 | Confident | 117 Ų | 117 | 45.9 Ų | 45.9 | 55% | 0.547 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 172.9 | -73.7 | 170.9 | -177.8 | 0 | 0 | 111.6 | N651 R658 S659 | N651-E655 WeakPolarHBondContact O-CB 3.48Å; N651-E655 VanDerWaalsContact O-CG 3.31Å; N651-E655 WeakPolarHBondContact O-CG 3.35Å; N651-E655 PolarHBondContact O-N 3.2Å; E655-R658 PolarHBondContact O-N 2.98Å; E655-S659 PolarHBondContact O-N 3.25Å; E655-S659 PolarHBondContact O-OG 3.38Å |
| 656 | K | 88.1 | Confident | 81.3 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.6 | -167.2 | 170.2 | -171.1 | 175.6 | 0 | 111.3 | F207 E209 F449 L652 L653 S659 T660 | F207-K656 HydrophobicContact CE1-CD 4.02Å; E209-K656 WeakPolarHBondContact OE1-CE 3.21Å; E209-K656 IonicContact OE1-NZ 2.64Å; E209-K656 PolarHBondContact OE1-NZ 2.88Å; E209-K656 IonicContact OE2-NZ 3.47Å; E209-K656 PolarHBondContact OE2-NZ 3.37Å; F449-K656 HydrophobicContact CZ-CG 4.35Å; L652-K656 WeakPolarHBondContact O-CB 3.46Å; L652-K656 PolarHBondContact O-N 3.41Å; L653-K656 PolarHBondContact O-N 2.8Å; K656-S659 PolarHBondContact O-N 3.16Å; K656-S659 PolarHBondContact O-OG 2.89Å; K656-T660 WeakPolarHBondContact O-CG2 3.21Å; K656-T660 PolarHBondContact O-N 3.1Å |
| 657 | L | 90.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 174 | -68.4 | 177.1 | 0 | 0 | 0 | 111.9 | I146 F207 L453 L478 F481 L653 L654 S659 T660 | I146-L657 HydrophobicContact CD1-CD1 4.1Å; I146-L657 HydrophobicContact CD1-CD2 4.05Å; I146-L657 HydrophobicContact CG1-CD2 4.15Å; F207-L657 HydrophobicContact CE2-CD2 4.17Å; L453-L657 HydrophobicContact CD2-CD1 3.98Å; L478-L657 HydrophobicContact CD2-CD1 3.93Å; F481-L657 HydrophobicContact CD1-CD1 4.45Å; F481-L657 HydrophobicContact CE1-CB 4.14Å; F481-L657 HydrophobicContact CE1-CD1 4.39Å; F481-L657 HydrophobicContact CE2-CB 4.15Å; F481-L657 HydrophobicContact CZ-CB 3.81Å; L653-L657 HydrophobicContact CD1-CD1 4.38Å; L653-L657 HydrophobicContact CD1-CG 4.2Å; L653-L657 HydrophobicContact CG-CD1 4.28Å; L653-L657 VanDerWaalsContact O-CG 3.28Å; L653-L657 WeakPolarHBondContact O-CG 3.34Å; L653-L657 PolarHBondContact O-N 2.8Å; L654-L657 PolarHBondContact O-N 3.46Å; L657-S659 VanDerWaalsContact C-N 3.28Å; L657-S659 PolarHBondContact O-N 3.48Å; L657-T660 PolarHBondContact O-N 2.91Å; L657-T660 VanDerWaalsContact O-O 3.09Å; L657-T660 PolarHBondContact O-OG1 2.92Å |
| 658 | R | 89.4 | Confident | 85.6 | Confident | 122 Ų | 122 | 35 Ų | 35 | 46% | 0.46 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.3 | -33.9 | 177.3 | -78.2 | 172.3 | 171.1 | 164.1 | -5.5 | 113.2 | F481 E484 L654 E655 T660 | F481-R658 HydrophobicContact CD2-CG 3.88Å; F481-R658 HydrophobicContact CE2-CB 4.4Å; F481-R658 HydrophobicContact CE2-CG 3.58Å; E484-R658 IonicContact OE1-CZ 2.68Å; E484-R658 IonicContact OE1-NH2 3.76Å; E484-R658 PolarHBondContact OE1-NH2 3.29Å; E484-R658 IonicContact OE2-CZ 3.77Å; E484-R658 IonicContact OE2-NE 3.84Å; E484-R658 PolarHBondContact OE2-NE 3.19Å; E484-R658 IonicContact OE2-NH2 3.19Å; E484-R658 PolarHBondContact OE2-NH2 3.21Å; L654-R658 WeakPolarHBondContact O-CB 3.35Å; L654-R658 VanDerWaalsContact O-CG 3.27Å; L654-R658 WeakPolarHBondContact O-CG 3.28Å; L654-R658 PolarHBondContact O-N 3.36Å; E655-R658 PolarHBondContact O-N 2.98Å; R658-T660 VanDerWaalsContact C-N 3.3Å; R658-T660 PolarHBondContact O-N 3.3Å |
| 659 | S | 90 | Very high | 87.4 | Confident | 79 Ų | 79 | 31.4 Ų | 31.4 | 55% | 0.552 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2.9 | 174.6 | 63.5 | 0 | 0 | 0 | 0 | 115.4 | E655 K656 L657 | E655-S659 PolarHBondContact O-N 3.25Å; E655-S659 PolarHBondContact O-OG 3.38Å; K656-S659 PolarHBondContact O-N 3.16Å; K656-S659 PolarHBondContact O-OG 2.89Å; L657-S659 VanDerWaalsContact C-N 3.28Å; L657-S659 PolarHBondContact O-N 3.48Å |
| 660 | T | 92.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -113.8 | 152.3 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | S142 S144 F449 R485 K656 L657 R658 S662 | S142-T660 VanDerWaalsContact O-CA 3.29Å; S142-T660 WeakPolarHBondContact O-CA 3.26Å; S142-T660 VanDerWaalsContact O-CB 3.31Å; S142-T660 WeakPolarHBondContact O-CB 3.45Å; S144-T660 WeakPolarHBondContact CB-OG1 3.29Å; S144-T660 PolarHBondContact OG-OG1 3.49Å; F449-T660 HydrophobicContact CE2-CG2 3.82Å; F449-T660 HydrophobicContact CZ-CG2 3.57Å; R485-T660 PolarHBondContact NH2-O 3.48Å; K656-T660 WeakPolarHBondContact O-CG2 3.21Å; K656-T660 PolarHBondContact O-N 3.1Å; L657-T660 PolarHBondContact O-N 2.91Å; L657-T660 VanDerWaalsContact O-O 3.09Å; L657-T660 PolarHBondContact O-OG1 2.92Å; R658-T660 VanDerWaalsContact C-N 3.3Å; R658-T660 PolarHBondContact O-N 3.3Å; T660-S662 PolarHBondContact O-OG 3.28Å |
| 661 | G | 90.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 28 Ų | 28 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 136.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S142 Q143 S144 | S142-G661 PolarHBondContact O-N 3.07Å; Q143-G661 CarbonylContact C-O 3.53Å; Q143-G661 VanDerWaalsContact CA-O 3.25Å; Q143-G661 WeakPolarHBondContact CA-O 3.28Å; Q143-G661 VanDerWaalsContact OE1-CA 3.29Å; Q143-G661 PolarHBondContact OE1-O 2.75Å; S144-G661 PolarHBondContact N-O 3.26Å |
| 662 | S | 91.7 | Very high | 89.7 | Confident | 16 Ų | 16 | 29.6 Ų | 29.6 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.1 | -166.2 | -38.6 | 0 | 0 | 0 | 0 | 111.5 | R485 T660 | R485-S662 PolarHBondContact NE-OG 2.84Å; T660-S662 PolarHBondContact O-OG 3.28Å |
| 663 | S | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.8 | 169.6 | -64 | 0 | 0 | 0 | 0 | 109.6 | K131 S144 I145 I146 | K131-S663 PolarHBondContact NZ-OG 2.83Å; S144-S663 PolarHBondContact O-N 2.67Å; I145-S663 CarbonylContact C-O 3.56Å; I145-S663 WeakPolarHBondContact CA-O 3.48Å; I146-S663 PolarHBondContact N-O 2.9Å |
| 664 | F | 92.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.2 | -168.5 | -66.1 | -88.5 | 0 | 0 | 0 | 112.2 | I91 L92 I146 F481 F482 R485 I486 | I91-F664 HydrophobicContact CG1-CB 4.44Å; I91-F664 HydrophobicContact CG2-CB 4.21Å; L92-F664 PolarHBondContact N-O 3.47Å; L92-F664 VanDerWaalsContact N-O 3.1Å; I146-F664 HydrophobicContact CB-CD1 3.82Å; I146-F664 HydrophobicContact CB-CE1 4.02Å; I146-F664 HydrophobicContact CD1-CD1 4.16Å; I146-F664 HydrophobicContact CD1-CE1 3.5Å; I146-F664 VanDerWaalsContact CD1-CE1 3.5Å; I146-F664 HydrophobicContact CD1-CZ 3.95Å; I146-F664 HydrophobicContact CG1-CE1 4.36Å; I146-F664 HydrophobicContact CG2-CD1 4.03Å; I146-F664 HydrophobicContact CG2-CE1 4.15Å; F481-F664 HydrophobicContact CD1-CE1 4.46Å; F481-F664 HydrophobicContact CD1-CZ 4.27Å; F481-F664 HydrophobicContact CE1-CE1 4.32Å; F481-F664 AromaticContact CE1-CZ 3.87Å; F481-F664 HydrophobicContact CE1-CZ 3.87Å; F482-F664 HydrophobicContact CB-CE1 4.16Å; F482-F664 HydrophobicContact CB-CZ 4.37Å; F482-F664 AromaticContact CD2-CD1 3.72Å; F482-F664 HydrophobicContact CD2-CD1 3.72Å; F482-F664 HydrophobicContact CD2-CD2 4.1Å; F482-F664 AromaticContact CD2-CE1 3.71Å; F482-F664 HydrophobicContact CD2-CE1 3.71Å; F482-F664 HydrophobicContact CD2-CE2 4.1Å; F482-F664 AromaticContact CD2-CG 3.91Å; F482-F664 HydrophobicContact CD2-CG 3.91Å; F482-F664 AromaticContact CD2-CZ 3.9Å; F482-F664 HydrophobicContact CD2-CZ 3.9Å; F482-F664 HydrophobicContact CE2-CB 4.49Å; F482-F664 HydrophobicContact CE2-CD1 4.35Å; F482-F664 HydrophobicContact CE2-CD2 4.32Å; F482-F664 HydrophobicContact CE2-CG 4.15Å; F482-F664 HydrophobicContact CG-CE1 4.44Å; R485-F664 HydrophobicContact CG-CE2 4.42Å; I486-F664 HydrophobicContact CD1-CD2 3.86Å; I486-F664 HydrophobicContact CD1-CE2 3.7Å; I486-F664 HydrophobicContact CG1-CD2 3.97Å; I486-F664 HydrophobicContact CG1-CE2 3.65Å; I486-F664 HydrophobicContact CG1-CZ 4.43Å |
| 665 | I | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.3 | 170.5 | -54.5 | -179 | 0 | 0 | 0 | 107.5 | L92 A94 V125 I128 I145 I146 V147 S148 V162 | L92-I665 HydrophobicContact CB-CG1 4.41Å; L92-I665 HydrophobicContact CD2-CD1 4.48Å; L92-I665 HydrophobicContact CD2-CG1 4.46Å; L92-I665 HydrophobicContact CD2-CG2 4.39Å; L92-I665 CarbonylContact O-C 3.41Å; L92-I665 WeakPolarHBondContact O-CA 3.48Å; A94-I665 HydrophobicContact CB-CG2 4.28Å; V125-I665 HydrophobicContact CG2-CD1 4.04Å; I128-I665 HydrophobicContact CG2-CD1 4.39Å; I128-I665 HydrophobicContact CG2-CG1 4.34Å; I145-I665 HydrophobicContact CG2-CD1 3.82Å; I145-I665 HydrophobicContact CG2-CG1 4.15Å; I146-I665 PolarHBondContact O-N 3.46Å; V147-I665 HydrophobicContact CG1-CB 4.39Å; V147-I665 HydrophobicContact CG1-CG2 4.43Å; V147-I665 HydrophobicContact CG2-CB 4.44Å; V147-I665 HydrophobicContact CG2-CD1 4.38Å; S148-I665 PolarHBondContact N-O 2.81Å; S148-I665 PolarHBondContact OG-O 2.9Å; V162-I665 HydrophobicContact CG2-CD1 3.99Å |
| 666 | R | 93 | Very high | 89.6 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 105.4 | 176.5 | -61.5 | -51.6 | -160.6 | 155.1 | 12.2 | 109.1 | I91 L92 I93 A94 S148 F482 S691 M693 | I91-R666 HydrophobicContact CG2-CG 3.95Å; L92-R666 PolarHBondContact O-N 2.86Å; I93-R666 WeakPolarHBondContact CA-O 3.36Å; A94-R666 PolarHBondContact N-O 3.15Å; S148-R666 WeakPolarHBondContact OG-CD 3.21Å; S148-R666 PolarHBondContact OG-NH1 2.91Å; F482-R666 VanDerWaalsContact CD2-NH2 3.27Å; R666-S691 PolarHBondContact NH2-O 3.43Å; R666-M693 HydrophobicContact CB-SD 4.41Å; R666-M693 HydrophobicContact CG-CE 3.65Å; R666-M693 HydrophobicContact CG-SD 3.79Å |
| 667 | C | 93.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133.1 | 177.7 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | A94 V147 S148 G149 A153 K155 | A94-C667 CarbonylContact O-C 3.56Å; A94-C667 VanDerWaalsContact O-CA 3.3Å; A94-C667 WeakPolarHBondContact O-CA 3.48Å; V147-C667 VanDerWaalsContact CG1-SG 3.6Å; S148-C667 WeakPolarHBondContact O-CB 3.33Å; S148-C667 PolarHBondContact O-N 2.94Å; G149-C667 WeakPolarHBondContact CA-O 3.36Å; A153-C667 HydrophobicContact CB-CB 3.92Å; A153-C667 WeakPolarHBondContact O-CB 3.46Å; K155-C667 HydrophobicContact CG-CB 3.87Å |
| 668 | V | 92.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130 | -174.3 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | I93 A94 V95 N96 P670 I684 L688 | I93-V668 HydrophobicContact CG2-CG2 4.06Å; A94-V668 PolarHBondContact O-N 2.5Å; V95-V668 HydrophobicContact CG2-CB 4.39Å; N96-V668 PolarHBondContact N-O 3.41Å; V668-P670 WeakPolarHBondContact O-CD 3.1Å; V668-I684 HydrophobicContact CG1-CB 4.45Å; V668-I684 HydrophobicContact CG1-CG1 4.12Å; V668-I684 HydrophobicContact CG1-CG2 4.02Å; V668-L688 HydrophobicContact CG2-CD2 4.34Å |
| 669 | K | 89.8 | Confident | 89.9 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | trans | -85.7 | 114.9 | 172.7 | 179.5 | 168.8 | -177.8 | -173.8 | 0 | 109.2 | Y98 A153 N671 L672 Q687 | Y98-K669 WeakPolarHBondContact OH-CG 3.25Å; A153-K669 HydrophobicContact CB-CB 4.19Å; K669-N671 WeakPolarHBondContact CE-O 3.45Å; K669-N671 WeakPolarHBondContact CG-O 3.42Å; K669-L672 PolarHBondContact NZ-O 2.75Å; K669-Q687 PolarHBondContact O-NE2 2.88Å | ||
| 670 | P | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -80.2 | -23.3 | -171.8 | 30.3 | -36.8 | 0 | 0 | 0 | 115.2 | Y79 V95 N96 Y98 V668 E680 I684 | Y79-P670 HydrophobicContact CE1-CB 4.39Å; Y79-P670 HydrophobicContact CE2-CB 4.35Å; Y79-P670 HydrophobicContact CE2-CG 4.26Å; V95-P670 HydrophobicContact CG1-CB 3.75Å; V95-P670 HydrophobicContact CG1-CG 4.06Å; N96-P670 VanDerWaalsContact O-CG 3.29Å; N96-P670 WeakPolarHBondContact O-CG 3.34Å; Y98-P670 HydrophobicContact CD2-CG 4.19Å; Y98-P670 HydrophobicContact CE2-CG 3.83Å; V668-P670 WeakPolarHBondContact O-CD 3.1Å; P670-E680 PolarHBondContact O-N 2.67Å; P670-I684 HydrophobicContact CB-CD1 4.06Å | ||
| 671 | N | 88.7 | Confident | 89.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -153.5 | 152 | 177.3 | 62.5 | 83.7 | 0 | 0 | 0 | 110.2 | K669 K673 M674 V675 Q678 E680 | K669-N671 WeakPolarHBondContact CE-O 3.45Å; K669-N671 WeakPolarHBondContact CG-O 3.42Å; N671-K673 VanDerWaalsContact C-N 3.33Å; N671-K673 PolarHBondContact O-N 3.36Å; N671-K673 PolarHBondContact OD1-N 3.47Å; N671-M674 PolarHBondContact OD1-N 3.05Å; N671-V675 PolarHBondContact ND2-O 3.41Å; N671-V675 PolarHBondContact OD1-N 3.33Å; N671-Q678 HydrophobicContact CB-CB 4.16Å; N671-Q678 HydrophobicContact CB-CG 4.12Å; N671-Q678 PolarHBondContact ND2-O 2.97Å; N671-E680 VanDerWaalsContact CA-OE2 3.26Å; N671-E680 WeakPolarHBondContact CA-OE2 3.45Å; N671-E680 HydrophobicContact CB-CB 4.46Å; N671-E680 HydrophobicContact CB-CG 3.8Å | ||
| 672 | L | 82.7 | Confident | 89.8 | Confident | 87 Ų | 87 | 36.6 Ų | 36.6 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -35.2 | -179.6 | -71.5 | 179.5 | 0 | 0 | 0 | 113 | K669 M674 E680 L683 | K669-L672 PolarHBondContact NZ-O 2.75Å; L672-M674 VanDerWaalsContact C-N 3.29Å; L672-M674 PolarHBondContact O-N 3.33Å; L672-E680 PolarHBondContact N-OE2 3.1Å; L672-L683 HydrophobicContact CD2-CD1 3.92Å; L672-L683 HydrophobicContact CD2-CD2 3.96Å; L672-L683 HydrophobicContact CG-CD1 4.31Å; L672-L683 HydrophobicContact CG-CD2 3.95Å |
| 673 | K | 82.3 | Confident | 89.6 | Confident | 153 Ų | 153 | 37.6 Ų | 37.6 | 67% | 0.665 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -11.9 | -172 | -61.9 | -178.2 | -174.1 | 165.9 | 0 | 115.5 | N671 V675 | N671-K673 VanDerWaalsContact C-N 3.33Å; N671-K673 PolarHBondContact O-N 3.36Å; N671-K673 PolarHBondContact OD1-N 3.47Å; K673-V675 HydrophobicContact CB-CG2 3.94Å |
| 674 | M | 82.7 | Confident | 89.6 | Confident | 65 Ų | 65 | 37.5 Ų | 37.5 | 32% | 0.32 | 19% | 0.192 | S | C | . | . | trans | 62 | 36.1 | -175.2 | -54.9 | -164.5 | 165 | 0 | 0 | 114.8 | Y98 R197 N671 L672 | Y98-M674 HydrophobicContact CD1-CB 4.06Å; Y98-M674 HydrophobicContact CE1-CB 3.65Å; Y98-M674 HydrophobicContact CE1-CG 3.85Å; Y98-M674 HydrophobicContact CE1-SD 4.24Å; Y98-M674 HydrophobicContact CE2-CB 4.36Å; R197-M674 WeakPolarHBondContact O-CE 3.13Å; N671-M674 PolarHBondContact OD1-N 3.05Å; L672-M674 VanDerWaalsContact C-N 3.29Å; L672-M674 PolarHBondContact O-N 3.33Å | ||
| 675 | V | 85.1 | Confident | 89.4 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | trans | -101.6 | 143.8 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | Y98 N671 K673 | Y98-V675 WeakPolarHBondContact CD2-O 3.42Å; N671-V675 PolarHBondContact ND2-O 3.41Å; N671-V675 PolarHBondContact OD1-N 3.33Å; K673-V675 HydrophobicContact CB-CG2 3.94Å | ||
| 676 | S | 87.6 | Confident | 89 | Confident | 51 Ų | 51 | 40.6 Ų | 40.6 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 153.7 | 174.9 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | P97 Q678 | P97-S676 WeakPolarHBondContact O-CA 3.23Å; P97-S676 WeakPolarHBondContact O-CB 3.39Å; S676-Q678 PolarHBondContact O-N 3.4Å |
| 677 | H | 89.6 | Confident | 88.7 | Confident | 120 Ų | 120 | 40.4 Ų | 40.4 | 56% | 0.556 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -2.9 | 179.5 | -53 | -41.5 | 0 | 0 | 0 | 117.2 | Y79 D82 Y99 | Y79-H677 PolarHBondContact OH-N 2.78Å; D82-H677 IonicContact OD1-CE1 3.79Å; D82-H677 PolarHBondContact OD1-CE1 2.83Å; D82-H677 IonicContact OD1-ND1 3.38Å; Y99-H677 AromaticContact CE1-CE1 3.62Å |
| 678 | Q | 91.7 | Very high | 88.4 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | trans | -83.8 | 128.1 | 173.5 | -166.9 | -161.8 | -19.1 | 0 | 0 | 111 | N671 S676 E680 | N671-Q678 HydrophobicContact CB-CB 4.16Å; N671-Q678 HydrophobicContact CB-CG 4.12Å; N671-Q678 PolarHBondContact ND2-O 2.97Å; S676-Q678 PolarHBondContact O-N 3.4Å; Q678-E680 PolarHBondContact NE2-OE1 2.75Å | ||
| 679 | F | 91.8 | Very high | 87.9 | Confident | 37 Ų | 37 | 44 Ų | 44 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | trans | -121.7 | 114.3 | -178 | -172.1 | -82.9 | 0 | 0 | 0 | 110.8 | L72 V75 R76 Y79 I684 | L72-F679 HydrophobicContact CD1-CE1 4.26Å; L72-F679 HydrophobicContact CD1-CZ 4.06Å; V75-F679 HydrophobicContact CG1-CE2 4.37Å; R76-F679 VanDerWaalsContact CA-CE2 3.41Å; R76-F679 VanDerWaalsContact CA-CZ 3.48Å; R76-F679 HydrophobicContact CB-CD1 4.42Å; R76-F679 HydrophobicContact CB-CE1 3.74Å; R76-F679 HydrophobicContact CB-CE2 3.91Å; R76-F679 HydrophobicContact CB-CZ 3.45Å; R76-F679 VanDerWaalsContact CB-CZ 3.45Å; R76-F679 HydrophobicContact CG-CD1 3.94Å; R76-F679 HydrophobicContact CG-CD2 4.48Å; R76-F679 HydrophobicContact CG-CE1 3.72Å; R76-F679 HydrophobicContact CG-CE2 4.28Å; R76-F679 HydrophobicContact CG-CG 4.32Å; R76-F679 HydrophobicContact CG-CZ 3.91Å; Y79-F679 HydrophobicContact CD1-CB 4.34Å; Y79-F679 AromaticContact CD1-CD2 3.81Å; Y79-F679 HydrophobicContact CD1-CD2 3.81Å; Y79-F679 HydrophobicContact CG-CD2 4.21Å; F679-I684 HydrophobicContact CD1-CD1 3.89Å; F679-I684 HydrophobicContact CD2-CD1 3.38Å; F679-I684 HydrophobicContact CE1-CD1 3.74Å; F679-I684 HydrophobicContact CE2-CD1 3.21Å; F679-I684 HydrophobicContact CG-CD1 3.72Å; F679-I684 HydrophobicContact CZ-CB 4.47Å; F679-I684 HydrophobicContact CZ-CD1 3.4Å; F679-I684 VanDerWaalsContact CZ-CD1 3.4Å; F679-I684 HydrophobicContact CZ-CG2 4.24Å | ||
| 680 | E | 93.3 | Very high | 87.3 | Confident | 41 Ų | 41 | 45 Ų | 45 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | trans | -102 | 92.4 | 178.7 | -69.3 | 173.3 | 178.6 | 0 | 0 | 109.1 | P670 N671 L672 Q678 A682 L683 I684 | P670-E680 PolarHBondContact O-N 2.67Å; N671-E680 VanDerWaalsContact CA-OE2 3.26Å; N671-E680 WeakPolarHBondContact CA-OE2 3.45Å; N671-E680 HydrophobicContact CB-CB 4.46Å; N671-E680 HydrophobicContact CB-CG 3.8Å; L672-E680 PolarHBondContact N-OE2 3.1Å; Q678-E680 PolarHBondContact NE2-OE1 2.75Å; E680-A682 PolarHBondContact O-N 3.35Å; E680-L683 HydrophobicContact CB-CB 4.04Å; E680-L683 HydrophobicContact CB-CD2 4.41Å; E680-L683 WeakPolarHBondContact O-CB 3.31Å; E680-L683 PolarHBondContact O-N 2.66Å; E680-L683 VanDerWaalsContact O-N 3.1Å; E680-I684 PolarHBondContact O-N 2.88Å; E680-I684 VanDerWaalsContact O-N 3.12Å | ||
| 681 | G | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T11 D12 I684 L685 | T11-G681 PolarHBondContact O-N 2.94Å; D12-G681 CarbonylContact O-C 3.59Å; D12-G681 WeakPolarHBondContact O-CA 3.15Å; G681-I684 PolarHBondContact O-N 2.95Å; G681-L685 WeakPolarHBondContact O-CB 3.48Å; G681-L685 PolarHBondContact O-N 2.61Å |
| 682 | A | 88.4 | Confident | 86.1 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 28% | 0.281 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P10 T11 E680 S686 | P10-A682 WeakPolarHBondContact O-CB 3.11Å; T11-A682 WeakPolarHBondContact O-CB 3.41Å; T11-A682 PolarHBondContact O-N 2.7Å; E680-A682 PolarHBondContact O-N 3.35Å; A682-S686 PolarHBondContact O-N 3.03Å; A682-S686 VanDerWaalsContact O-N 3.08Å |
| 683 | L | 87.3 | Confident | 86.1 | Confident | 37 Ų | 37 | 42 Ų | 42 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.9 | -178.6 | 75.1 | 0 | 0 | 0 | 111.2 | L672 E680 Q687 | L672-L683 HydrophobicContact CD2-CD1 3.92Å; L672-L683 HydrophobicContact CD2-CD2 3.96Å; L672-L683 HydrophobicContact CG-CD1 4.31Å; L672-L683 HydrophobicContact CG-CD2 3.95Å; E680-L683 HydrophobicContact CB-CB 4.04Å; E680-L683 HydrophobicContact CB-CD2 4.41Å; E680-L683 WeakPolarHBondContact O-CB 3.31Å; E680-L683 PolarHBondContact O-N 2.66Å; E680-L683 VanDerWaalsContact O-N 3.1Å; L683-Q687 PolarHBondContact O-N 3.01Å; L683-Q687 PolarHBondContact O-NE2 3.34Å |
| 684 | I | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.2 | -43 | 178.5 | -67.1 | 168.8 | 0 | 0 | 0 | 110.6 | L72 V75 V668 P670 F679 E680 G681 S686 Q687 L688 | L72-I684 HydrophobicContact CD1-CB 4.01Å; L72-I684 HydrophobicContact CD1-CG2 3.63Å; V75-I684 HydrophobicContact CG1-CG2 4.49Å; V668-I684 HydrophobicContact CG1-CB 4.45Å; V668-I684 HydrophobicContact CG1-CG1 4.12Å; V668-I684 HydrophobicContact CG1-CG2 4.02Å; P670-I684 HydrophobicContact CB-CD1 4.06Å; F679-I684 HydrophobicContact CD1-CD1 3.89Å; F679-I684 HydrophobicContact CD2-CD1 3.38Å; F679-I684 HydrophobicContact CE1-CD1 3.74Å; F679-I684 HydrophobicContact CE2-CD1 3.21Å; F679-I684 HydrophobicContact CG-CD1 3.72Å; F679-I684 HydrophobicContact CZ-CB 4.47Å; F679-I684 HydrophobicContact CZ-CD1 3.4Å; F679-I684 VanDerWaalsContact CZ-CD1 3.4Å; F679-I684 HydrophobicContact CZ-CG2 4.24Å; E680-I684 PolarHBondContact O-N 2.88Å; E680-I684 VanDerWaalsContact O-N 3.12Å; G681-I684 PolarHBondContact O-N 2.95Å; I684-S686 PolarHBondContact O-N 2.72Å; I684-Q687 PolarHBondContact O-N 3.32Å; I684-L688 HydrophobicContact CG2-CD1 3.8Å; I684-L688 HydrophobicContact CG2-CG 4.36Å; I684-L688 VanDerWaalsContact O-CG 3.31Å; I684-L688 WeakPolarHBondContact O-CG 3.36Å; I684-L688 PolarHBondContact O-N 2.76Å |
| 685 | L | 89.8 | Confident | 85.8 | Confident | 17 Ų | 17 | 33.8 Ų | 33.8 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56 | -48.9 | 174.9 | 177.7 | 58.4 | 0 | 0 | 0 | 111.5 | F14 E68 L72 G681 Q687 L688 Q689 | F14-L685 HydrophobicContact CD2-CD1 4.49Å; F14-L685 HydrophobicContact CD2-CD2 3.89Å; F14-L685 HydrophobicContact CE2-CD1 3.8Å; F14-L685 HydrophobicContact CE2-CD2 3.42Å; F14-L685 VanDerWaalsContact CE2-CD2 3.42Å; F14-L685 HydrophobicContact CE2-CG 4.27Å; F14-L685 HydrophobicContact CZ-CD2 4.13Å; E68-L685 HydrophobicContact CB-CD1 3.98Å; L72-L685 HydrophobicContact CD1-CB 4.29Å; L72-L685 HydrophobicContact CD2-CB 4.11Å; G681-L685 WeakPolarHBondContact O-CB 3.48Å; G681-L685 PolarHBondContact O-N 2.61Å; L685-Q687 PolarHBondContact O-N 2.86Å; L685-L688 PolarHBondContact O-N 2.65Å; L685-L688 VanDerWaalsContact O-N 3.1Å; L685-Q689 HydrophobicContact CD1-CG 4.2Å; L685-Q689 WeakPolarHBondContact O-CG 3.47Å; L685-Q689 PolarHBondContact O-N 2.81Å |
| 686 | S | 84.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 30.2 Ų | 30.2 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 176.1 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | A682 I684 L688 Q689 C690 | A682-S686 PolarHBondContact O-N 3.03Å; A682-S686 VanDerWaalsContact O-N 3.08Å; I684-S686 PolarHBondContact O-N 2.72Å; S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.3Å; S686-Q689 PolarHBondContact O-N 2.9Å; S686-C690 VanDerWaalsContact O-CB 3.27Å; S686-C690 WeakPolarHBondContact O-CB 3.31Å; S686-C690 PolarHBondContact O-N 2.95Å; S686-C690 PolarHBondContact O-SG 2.9Å |
| 687 | Q | 87.4 | Confident | 85.2 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 7% | 0.065 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 176.2 | -76.2 | 168.4 | 88.7 | 0 | 0 | 113.5 | E150 K669 L683 I684 L685 S691 | E150-Q687 HydrophobicContact CG-CG 4.23Å; E150-Q687 VanDerWaalsContact OE1-CG 3.24Å; E150-Q687 WeakPolarHBondContact OE1-CG 3.48Å; K669-Q687 PolarHBondContact O-NE2 2.88Å; L683-Q687 PolarHBondContact O-N 3.01Å; L683-Q687 PolarHBondContact O-NE2 3.34Å; I684-Q687 PolarHBondContact O-N 3.32Å; L685-Q687 PolarHBondContact O-N 2.86Å; Q687-S691 VanDerWaalsContact O-CB 3.28Å; Q687-S691 WeakPolarHBondContact O-CB 3.49Å; Q687-S691 PolarHBondContact O-N 2.89Å; Q687-S691 PolarHBondContact O-OG 3.42Å |
| 688 | L | 88.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.1 | -40.3 | 179.3 | -69.1 | 169.1 | 0 | 0 | 0 | 112.4 | L71 L72 I93 V668 I684 L685 S686 S691 G692 M693 | L71-L688 HydrophobicContact CD2-CB 4.16Å; L71-L688 HydrophobicContact CD2-CD1 4.05Å; L71-L688 HydrophobicContact CD2-CD2 4.36Å; L71-L688 HydrophobicContact CD2-CG 4.43Å; L71-L688 HydrophobicContact CG-CD1 4.12Å; L72-L688 HydrophobicContact CD1-CD1 4.42Å; I93-L688 HydrophobicContact CD1-CD2 3.84Å; V668-L688 HydrophobicContact CG2-CD2 4.34Å; I684-L688 HydrophobicContact CG2-CD1 3.8Å; I684-L688 HydrophobicContact CG2-CG 4.36Å; I684-L688 VanDerWaalsContact O-CG 3.31Å; I684-L688 WeakPolarHBondContact O-CG 3.36Å; I684-L688 PolarHBondContact O-N 2.76Å; L685-L688 PolarHBondContact O-N 2.65Å; L685-L688 VanDerWaalsContact O-N 3.1Å; S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.3Å; L688-S691 PolarHBondContact O-OG 2.96Å; L688-G692 PolarHBondContact O-N 3.08Å; L688-M693 HydrophobicContact CD2-CB 4.43Å; L688-M693 HydrophobicContact CD2-CG 4.08Å; L688-M693 WeakPolarHBondContact O-CB 3.27Å; L688-M693 PolarHBondContact O-N 3.27Å |
| 689 | Q | 82.3 | Confident | 83.8 | Confident | 80 Ų | 80 | 22.4 Ų | 22.4 | 37% | 0.374 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.4 | -55.4 | 170 | -73.5 | 172.3 | -22 | 0 | 0 | 110.3 | E68 L685 S686 S691 G692 V694 | E68-Q689 WeakPolarHBondContact OE1-CG 3.37Å; E68-Q689 PolarHBondContact OE1-NE2 2.99Å; E68-Q689 PolarHBondContact OE2-NE2 3.27Å; L685-Q689 HydrophobicContact CD1-CG 4.2Å; L685-Q689 WeakPolarHBondContact O-CG 3.47Å; L685-Q689 PolarHBondContact O-N 2.81Å; S686-Q689 PolarHBondContact O-N 2.9Å; Q689-S691 PolarHBondContact O-N 3.27Å; Q689-G692 WeakPolarHBondContact O-CA 3.17Å; Q689-G692 PolarHBondContact O-N 3.24Å; Q689-V694 HydrophobicContact CG-CG2 4.19Å |
| 690 | C | 76.1 | Confident | 83 | Confident | 26 Ų | 26 | 21 Ų | 21 | 18% | 0.176 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.6 | -34.5 | -175.1 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | F580 A581 S686 G692 | F580-C690 HydrophobicContact CD2-CB 4.19Å; F580-C690 WeakPolarHBondContact CD2-O 3.43Å; F580-C690 HydrophobicContact CE2-CB 4.33Å; F580-C690 WeakPolarHBondContact CE2-O 3.39Å; F580-C690 PolarHBondContact O-SG 2.91Å; F580-C690 VanDerWaalsContact O-SG 3.42Å; A581-C690 VanDerWaalsContact CA-SG 3.54Å; A581-C690 HydrophobicContact CB-CB 4.25Å; S686-C690 VanDerWaalsContact O-CB 3.27Å; S686-C690 WeakPolarHBondContact O-CB 3.31Å; S686-C690 PolarHBondContact O-N 2.95Å; S686-C690 PolarHBondContact O-SG 2.9Å; C690-G692 PolarHBondContact O-N 2.88Å |
| 691 | S | 77.8 | Confident | 82 | Confident | 15 Ų | 15 | 23.4 Ų | 23.4 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -3.7 | 171.4 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | Q479 R666 Q687 L688 Q689 M693 | Q479-S691 PolarHBondContact NE2-O 3.36Å; R666-S691 PolarHBondContact NH2-O 3.43Å; Q687-S691 VanDerWaalsContact O-CB 3.28Å; Q687-S691 WeakPolarHBondContact O-CB 3.49Å; Q687-S691 PolarHBondContact O-N 2.89Å; Q687-S691 PolarHBondContact O-OG 3.42Å; L688-S691 PolarHBondContact O-OG 2.96Å; Q689-S691 PolarHBondContact O-N 3.27Å; S691-M693 VanDerWaalsContact O-CE 3.29Å; S691-M693 WeakPolarHBondContact O-CE 2.98Å; S691-M693 WeakPolarHBondContact OG-CG 3.3Å |
| 692 | G | 76.9 | Confident | 81 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 8% | 0.082 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 17.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L688 Q689 C690 V694 S695 V696 | L688-G692 PolarHBondContact O-N 3.08Å; Q689-G692 WeakPolarHBondContact O-CA 3.17Å; Q689-G692 PolarHBondContact O-N 3.24Å; C690-G692 PolarHBondContact O-N 2.88Å; G692-V694 PolarHBondContact O-N 2.71Å; G692-S695 PolarHBondContact O-N 3.06Å; G692-V696 WeakPolarHBondContact O-CG2 3.34Å; G692-V696 PolarHBondContact O-N 2.86Å |
| 693 | M | 84.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -30.8 | -177.9 | -63.3 | -60.1 | 91.8 | 0 | 0 | 112.3 | L71 I91 I93 F482 R666 L688 S691 V696 L697 | L71-M693 HydrophobicContact CD2-CB 4.2Å; I91-M693 HydrophobicContact CD1-CE 3.95Å; I91-M693 HydrophobicContact CD1-SD 4.36Å; I91-M693 HydrophobicContact CG2-CE 4.36Å; I91-M693 HydrophobicContact CG2-SD 3.99Å; I93-M693 HydrophobicContact CD1-CG 4.29Å; I93-M693 HydrophobicContact CD1-SD 4.45Å; I93-M693 HydrophobicContact CG1-SD 4.3Å; F482-M693 HydrophobicContact CE1-CE 4.25Å; F482-M693 HydrophobicContact CE2-CE 4.17Å; F482-M693 HydrophobicContact CZ-CE 3.49Å; F482-M693 VanDerWaalsContact CZ-CE 3.49Å; R666-M693 HydrophobicContact CB-SD 4.41Å; R666-M693 HydrophobicContact CG-CE 3.65Å; R666-M693 HydrophobicContact CG-SD 3.79Å; L688-M693 HydrophobicContact CD2-CB 4.43Å; L688-M693 HydrophobicContact CD2-CG 4.08Å; L688-M693 WeakPolarHBondContact O-CB 3.27Å; L688-M693 PolarHBondContact O-N 3.27Å; S691-M693 VanDerWaalsContact O-CE 3.29Å; S691-M693 WeakPolarHBondContact O-CE 2.98Å; S691-M693 WeakPolarHBondContact OG-CG 3.3Å; M693-V696 PolarHBondContact O-N 2.95Å; M693-L697 WeakPolarHBondContact O-CG 3.4Å; M693-L697 PolarHBondContact O-N 3.04Å |
| 694 | V | 79.6 | Confident | 79.8 | Confident | 18 Ų | 18 | 21.9 Ų | 21.9 | 11% | 0.109 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -58.4 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | E68 Q689 G692 V696 L697 D698 | E68-V694 HydrophobicContact CG-CB 4.4Å; E68-V694 HydrophobicContact CG-CG1 3.7Å; E68-V694 HydrophobicContact CG-CG2 3.76Å; Q689-V694 HydrophobicContact CG-CG2 4.19Å; G692-V694 PolarHBondContact O-N 2.71Å; V694-V696 PolarHBondContact O-N 3.05Å; V694-V696 VanDerWaalsContact O-N 3.11Å; V694-L697 WeakPolarHBondContact O-CA 3.49Å; V694-L697 WeakPolarHBondContact O-CB 3.29Å; V694-L697 PolarHBondContact O-N 3.15Å; V694-D698 VanDerWaalsContact O-CG 3.32Å; V694-D698 PolarHBondContact O-N 3.24Å |
| 695 | S | 78 | Confident | 78.6 | Confident | 28 Ų | 28 | 23.1 Ų | 23.1 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -23.8 | 178.5 | -49.6 | 0 | 0 | 0 | 0 | 113.8 | G692 D698 L699 | G692-S695 PolarHBondContact O-N 3.06Å; S695-D698 WeakPolarHBondContact CA-OD2 3.26Å; S695-L699 WeakPolarHBondContact O-CB 3.33Å; S695-L699 PolarHBondContact O-N 3.45Å |
| 696 | V | 81.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72 | -43.9 | 168.1 | 176 | 0 | 0 | 0 | 0 | 111.6 | V88 I91 F482 I486 L487 G692 M693 V694 D698 L699 M700 | V88-V696 HydrophobicContact CG1-CB 4.44Å; V88-V696 HydrophobicContact CG1-CG1 3.79Å; I91-V696 HydrophobicContact CD1-CB 4.48Å; I91-V696 HydrophobicContact CD1-CG1 3.98Å; I91-V696 HydrophobicContact CD1-CG2 4.06Å; F482-V696 HydrophobicContact CE1-CG2 4.1Å; F482-V696 HydrophobicContact CZ-CG2 3.74Å; I486-V696 HydrophobicContact CG2-CG1 4.38Å; I486-V696 HydrophobicContact CG2-CG2 3.73Å; L487-V696 HydrophobicContact CD2-CG2 3.83Å; G692-V696 WeakPolarHBondContact O-CG2 3.34Å; G692-V696 PolarHBondContact O-N 2.86Å; M693-V696 PolarHBondContact O-N 2.95Å; V694-V696 PolarHBondContact O-N 3.05Å; V694-V696 VanDerWaalsContact O-N 3.11Å; V696-D698 VanDerWaalsContact C-N 3.31Å; V696-D698 PolarHBondContact O-N 3.37Å; V696-L699 PolarHBondContact O-N 3.43Å; V696-M700 HydrophobicContact CG1-CE 4.17Å; V696-M700 HydrophobicContact CG1-CG 4.04Å; V696-M700 WeakPolarHBondContact O-CB 3.39Å; V696-M700 VanDerWaalsContact O-CG 3.24Å; V696-M700 WeakPolarHBondContact O-CG 3.34Å; V696-M700 PolarHBondContact O-N 3.12Å |
| 697 | L | 78.4 | Confident | 77.1 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 176 | -71.1 | 169.1 | 0 | 0 | 0 | 111.3 | N60 L66 L71 V88 M693 V694 L699 M700 Q701 | N60-L697 HydrophobicContact CB-CD2 3.81Å; L66-L697 HydrophobicContact CD2-CD2 4.03Å; L71-L697 HydrophobicContact CB-CD1 3.92Å; L71-L697 HydrophobicContact CD1-CD1 4.18Å; L71-L697 HydrophobicContact CD2-CD1 3.77Å; L71-L697 HydrophobicContact CG-CD1 4.14Å; V88-L697 HydrophobicContact CG1-CD2 3.76Å; V88-L697 HydrophobicContact CG1-CG 4.13Å; V88-L697 HydrophobicContact CG2-CD2 4.43Å; M693-L697 WeakPolarHBondContact O-CG 3.4Å; M693-L697 PolarHBondContact O-N 3.04Å; V694-L697 WeakPolarHBondContact O-CA 3.49Å; V694-L697 WeakPolarHBondContact O-CB 3.29Å; V694-L697 PolarHBondContact O-N 3.15Å; L697-L699 VanDerWaalsContact C-N 3.35Å; L697-L699 PolarHBondContact O-N 3.08Å; L697-M700 CarbonylContact O-C 3.58Å; L697-M700 PolarHBondContact O-N 3.05Å; L697-Q701 WeakPolarHBondContact O-CB 3.35Å; L697-Q701 PolarHBondContact O-N 2.9Å |
| 698 | D | 75.4 | Confident | 76.1 | Confident | 60 Ų | 60 | 26 Ų | 26 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 176.4 | -54.7 | -34.7 | 0 | 0 | 0 | 111 | V504 V694 S695 V696 M700 Q701 G702 | V504-D698 HydrophobicContact CG1-CB 4.29Å; V694-D698 VanDerWaalsContact O-CG 3.32Å; V694-D698 PolarHBondContact O-N 3.24Å; S695-D698 WeakPolarHBondContact CA-OD2 3.26Å; V696-D698 VanDerWaalsContact C-N 3.31Å; V696-D698 PolarHBondContact O-N 3.37Å; D698-M700 PolarHBondContact O-N 2.86Å; D698-Q701 WeakPolarHBondContact O-CB 3.37Å; D698-Q701 PolarHBondContact O-N 2.79Å; D698-G702 PolarHBondContact O-N 2.94Å |
| 699 | L | 77.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 175.7 | 179.1 | 60.6 | 0 | 0 | 0 | 112.6 | I486 L487 E490 Q491 Y494 V504 S695 V696 L697 G703 | I486-L699 WeakPolarHBondContact O-CD2 3.26Å; L487-L699 HydrophobicContact CB-CD2 4.4Å; L487-L699 HydrophobicContact CD2-CB 4.36Å; L487-L699 HydrophobicContact CD2-CD2 3.68Å; E490-L699 HydrophobicContact CB-CD2 4.37Å; Q491-L699 HydrophobicContact CG-CD1 3.61Å; Y494-L699 HydrophobicContact CE2-CD1 4.46Å; V504-L699 HydrophobicContact CB-CD1 4.14Å; V504-L699 HydrophobicContact CG1-CB 4.3Å; V504-L699 HydrophobicContact CG2-CD1 3.96Å; S695-L699 WeakPolarHBondContact O-CB 3.33Å; S695-L699 PolarHBondContact O-N 3.45Å; V696-L699 PolarHBondContact O-N 3.43Å; L697-L699 VanDerWaalsContact C-N 3.35Å; L697-L699 PolarHBondContact O-N 3.08Å; L699-G703 WeakPolarHBondContact O-CA 3.32Å; L699-G703 PolarHBondContact O-N 2.9Å |
| 700 | M | 75.1 | Confident | 75.4 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.034 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -77.8 | -19.6 | -179.5 | -61.1 | -52.4 | 157.4 | 0 | 0 | 113.1 | A89 V696 L697 D698 P705 | A89-M700 HydrophobicContact CB-CG 4.07Å; A89-M700 HydrophobicContact CB-SD 4.43Å; V696-M700 HydrophobicContact CG1-CE 4.17Å; V696-M700 HydrophobicContact CG1-CG 4.04Å; V696-M700 WeakPolarHBondContact O-CB 3.39Å; V696-M700 VanDerWaalsContact O-CG 3.24Å; V696-M700 WeakPolarHBondContact O-CG 3.34Å; V696-M700 PolarHBondContact O-N 3.12Å; L697-M700 CarbonylContact O-C 3.58Å; L697-M700 PolarHBondContact O-N 3.05Å; D698-M700 PolarHBondContact O-N 2.86Å; M700-P705 HydrophobicContact SD-CB 3.68Å; M700-P705 HydrophobicContact SD-CG 4.11Å |
| 701 | Q | 71.7 | Confident | 75.3 | Confident | 92 Ų | 92 | 27.7 Ų | 27.7 | 43% | 0.43 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.3 | -49 | 169.4 | -174.4 | 171.5 | 24.6 | 0 | 0 | 111.2 | L66 L697 D698 R758 | L66-Q701 HydrophobicContact CD1-CB 3.59Å; L66-Q701 HydrophobicContact CD1-CG 3.72Å; L697-Q701 WeakPolarHBondContact O-CB 3.35Å; L697-Q701 PolarHBondContact O-N 2.9Å; D698-Q701 WeakPolarHBondContact O-CB 3.37Å; D698-Q701 PolarHBondContact O-N 2.79Å; Q701-R758 PolarHBondContact O-NH1 3.36Å |
| 702 | G | 69 | Low | 74.9 | Confident | 36 Ų | 36 | 29.8 Ų | 29.8 | 37% | 0.371 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -72.9 | -35.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D698 | D698-G702 PolarHBondContact O-N 2.94Å |
| 703 | G | 74.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -88 | -157.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117 | L699 | L699-G703 WeakPolarHBondContact O-CA 3.32Å; L699-G703 PolarHBondContact O-N 2.9Å |
| 704 | F | 76.4 | Confident | 74.5 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | trans | -145.1 | 78.3 | -174.9 | -64.2 | -88.1 | 0 | 0 | 0 | 110.6 | Y494 L499 V501 S706 K749 F756 F757 R758 | Y494-F704 PolarHBondContact OH-N 3.14Å; Y494-F704 VanDerWaalsContact OH-N 3.1Å; Y494-F704 PolarHBondContact OH-O 2.83Å; L499-F704 HydrophobicContact CD1-CD2 4.22Å; V501-F704 HydrophobicContact CG2-CD2 3.89Å; V501-F704 HydrophobicContact CG2-CE2 3.73Å; F704-S706 VanDerWaalsContact C-N 3.33Å; F704-S706 PolarHBondContact O-N 3.3Å; F704-K749 HydrophobicContact CE1-CB 4.45Å; F704-K749 HydrophobicContact CE1-CD 4.48Å; F704-K749 HydrophobicContact CE1-CG 4.11Å; F704-K749 HydrophobicContact CE2-CD 3.67Å; F704-K749 HydrophobicContact CE2-CG 4.15Å; F704-K749 HydrophobicContact CZ-CB 4.26Å; F704-K749 HydrophobicContact CZ-CD 3.56Å; F704-K749 HydrophobicContact CZ-CG 3.64Å; F704-F756 HydrophobicContact CB-CB 3.73Å; F704-F756 HydrophobicContact CB-CD1 4.1Å; F704-F756 HydrophobicContact CB-CG 4.38Å; F704-F756 HydrophobicContact CD1-CB 4.44Å; F704-F756 HydrophobicContact CG-CB 4.07Å; F704-F757 CarbonylContact C-O 3.58Å; F704-F757 WeakPolarHBondContact CA-O 3.39Å; F704-R758 HydrophobicContact CD1-CG 4.07Å; F704-R758 HydrophobicContact CE1-CG 4.01Å | ||
| 705 | P | 65.4 | Low | 74.3 | Confident | 26 Ų | 26 | 35.1 Ų | 35.1 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | trans | -62.4 | -33.9 | -173.2 | 17.5 | -29 | 0 | 0 | 0 | 114.5 | A89 M700 P759 | A89-P705 HydrophobicContact CB-CB 3.74Å; A89-P705 HydrophobicContact CB-CG 4.2Å; M700-P705 HydrophobicContact SD-CB 3.68Å; M700-P705 HydrophobicContact SD-CG 4.11Å; P705-P759 HydrophobicContact CG-CG 3.88Å | ||
| 706 | S | 68.6 | Low | 73.9 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 127.1 | -179.6 | -81.1 | 0 | 0 | 0 | 0 | 110.2 | F704 F756 F757 | F704-S706 VanDerWaalsContact C-N 3.33Å; F704-S706 PolarHBondContact O-N 3.3Å; S706-F756 CarbonylContact O-C 3.6Å; S706-F757 PolarHBondContact N-O 2.86Å; S706-F757 PolarHBondContact O-N 3.28Å |
| 707 | R | 74.7 | Confident | 73.6 | Confident | 99 Ų | 99 | 37.9 Ų | 37.9 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 141.6 | -173.6 | 60.5 | -168.2 | 172.7 | -167.4 | -6.1 | 112.6 | E490 V755 F756 | E490-R707 IonicContact OE1-CZ 2.91Å; E490-R707 IonicContact OE1-NH1 2.71Å; E490-R707 PolarHBondContact OE1-NH1 3.18Å; E490-R707 IonicContact OE1-NH2 3.57Å; E490-R707 IonicContact OE2-CZ 2.7Å; E490-R707 IonicContact OE2-NH1 2.72Å; E490-R707 PolarHBondContact OE2-NH1 3.13Å; E490-R707 IonicContact OE2-NH2 3.54Å; E490-R707 PolarHBondContact OE2-NH2 3.12Å; R707-V755 CarbonylContact C-O 3.56Å; R707-V755 VanDerWaalsContact CA-O 3.26Å; R707-V755 WeakPolarHBondContact CA-O 3.43Å; R707-F756 HydrophobicContact CB-CD1 3.88Å; R707-F756 HydrophobicContact CB-CE1 4.01Å; R707-F756 HydrophobicContact CB-CG 4.47Å |
| 708 | A | 66.8 | Low | 73.6 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 128.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L713 V755 F762 | A708-L713 HydrophobicContact CB-CD1 3.96Å; A708-L713 HydrophobicContact CB-CD2 3.63Å; A708-L713 HydrophobicContact CB-CG 3.68Å; A708-V755 PolarHBondContact N-O 3.01Å; A708-V755 PolarHBondContact O-N 2.88Å; A708-F762 HydrophobicContact CB-CE2 4.34Å |
| 709 | P | 75.9 | Confident | 73.6 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 16% | 0.156 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 143.6 | 172.2 | -27.9 | 38.9 | 0 | 0 | 0 | 112.9 | H711 E712 L713 K754 | P709-H711 PolarHBondContact O-N 2.91Å; P709-H711 VanDerWaalsContact O-N 3.09Å; P709-E712 HydrophobicContact CB-CG 4.36Å; P709-E712 WeakPolarHBondContact CD-OE2 3.38Å; P709-E712 HydrophobicContact CG-CG 4.5Å; P709-E712 WeakPolarHBondContact CG-OE1 3.45Å; P709-E712 PolarHBondContact O-N 3.2Å; P709-L713 PolarHBondContact O-N 3.47Å; P709-K754 HydrophobicContact CG-CD 4.44Å; P709-K754 HydrophobicContact CG-CG 4.32Å |
| 710 | F | 78.8 | Confident | 73.3 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.9 | -33.1 | -179.2 | -68.5 | -63.7 | 0 | 0 | 0 | 113.4 | Y714 P730 R731 C734 F750 T753 K754 V755 | F710-Y714 WeakPolarHBondContact O-CB 3.34Å; F710-Y714 PolarHBondContact O-N 3.48Å; F710-Y714 VanDerWaalsContact O-N 3.07Å; F710-P730 HydrophobicContact CB-CB 4.06Å; F710-P730 WeakPolarHBondContact O-CB 3.47Å; F710-R731 HydrophobicContact CB-CB 4.4Å; F710-R731 HydrophobicContact CD1-CB 4.16Å; F710-R731 HydrophobicContact CD1-CG 4.04Å; F710-R731 HydrophobicContact CD2-CB 3.95Å; F710-R731 HydrophobicContact CD2-CG 3.78Å; F710-R731 HydrophobicContact CE1-CB 4.47Å; F710-R731 HydrophobicContact CE1-CG 3.84Å; F710-R731 HydrophobicContact CE2-CB 4.32Å; F710-R731 VanDerWaalsContact CE2-CD 3.42Å; F710-R731 HydrophobicContact CE2-CG 3.62Å; F710-R731 HydrophobicContact CG-CB 3.91Å; F710-R731 HydrophobicContact CG-CG 4.03Å; F710-R731 HydrophobicContact CZ-CG 3.67Å; F710-C734 HydrophobicContact CD1-CB 3.81Å; F710-C734 HydrophobicContact CE1-CB 4.2Å; F710-F750 AromaticContact CE1-CD1 3.77Å; F710-F750 HydrophobicContact CE1-CD1 3.77Å; F710-F750 HydrophobicContact CE1-CE1 4.15Å; F710-F750 HydrophobicContact CZ-CD1 4.05Å; F710-T753 WeakPolarHBondContact CD2-O 3.37Å; F710-T753 PolarHBondContact N-O 3.44Å; F710-K754 WeakPolarHBondContact CZ-O 3.27Å; F710-V755 HydrophobicContact CD1-CG2 3.8Å; F710-V755 HydrophobicContact CE1-CG2 3.43Å; F710-V755 VanDerWaalsContact CE1-CG2 3.43Å; F710-V755 HydrophobicContact CZ-CG2 4.24Å |
| 711 | H | 75.2 | Confident | 73.1 | Confident | 107 Ų | 107 | 50.6 Ų | 50.6 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.8 | -33.8 | -176.8 | 80.1 | -84.5 | 0 | 0 | 0 | 113.1 | P709 Y714 N715 | P709-H711 PolarHBondContact O-N 2.91Å; P709-H711 VanDerWaalsContact O-N 3.09Å; H711-Y714 PolarHBondContact O-N 2.74Å; H711-N715 WeakPolarHBondContact O-CB 3.47Å; H711-N715 VanDerWaalsContact O-CG 3.27Å; H711-N715 PolarHBondContact O-N 3.16Å |
| 712 | E | 69.6 | Low | 73.1 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 27% | 0.271 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.9 | -49.6 | 173.9 | -71.9 | 170 | -146 | 0 | 0 | 110.5 | P709 Y714 N715 M716 | P709-E712 HydrophobicContact CB-CG 4.36Å; P709-E712 WeakPolarHBondContact CD-OE2 3.38Å; P709-E712 HydrophobicContact CG-CG 4.5Å; P709-E712 WeakPolarHBondContact CG-OE1 3.45Å; P709-E712 PolarHBondContact O-N 3.2Å; E712-Y714 VanDerWaalsContact C-N 3.27Å; E712-Y714 PolarHBondContact O-N 3.21Å; E712-N715 PolarHBondContact O-N 3.3Å; E712-N715 VanDerWaalsContact O-N 3.07Å; E712-M716 WeakPolarHBondContact O-CB 3.33Å; E712-M716 WeakPolarHBondContact O-CG 3.5Å; E712-M716 PolarHBondContact O-N 2.95Å |
| 713 | L | 72.4 | Confident | 73.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.8 | -43.6 | 173.5 | -66.5 | 172.7 | 0 | 0 | 0 | 111.7 | A708 P709 Y717 V755 F762 F765 | A708-L713 HydrophobicContact CB-CD1 3.96Å; A708-L713 HydrophobicContact CB-CD2 3.63Å; A708-L713 HydrophobicContact CB-CG 3.68Å; P709-L713 PolarHBondContact O-N 3.47Å; L713-Y717 HydrophobicContact CD2-CE2 3.84Å; L713-Y717 WeakPolarHBondContact O-CD2 3.34Å; L713-Y717 PolarHBondContact O-N 3.19Å; L713-Y717 VanDerWaalsContact O-N 3.14Å; L713-V755 HydrophobicContact CD1-CB 3.99Å; L713-V755 HydrophobicContact CD1-CG2 3.47Å; L713-V755 VanDerWaalsContact CD1-CG2 3.47Å; L713-F762 HydrophobicContact CD2-CE2 4.08Å; L713-F765 HydrophobicContact CD2-CE1 4.04Å |
| 714 | Y | 80 | Confident | 73.1 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 13% | 0.125 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 174.1 | 172.7 | -90.9 | 0 | 0 | 0 | 111.4 | F710 H711 E712 M716 Y717 K718 T726 P730 F733 | F710-Y714 WeakPolarHBondContact O-CB 3.34Å; F710-Y714 PolarHBondContact O-N 3.48Å; F710-Y714 VanDerWaalsContact O-N 3.07Å; H711-Y714 PolarHBondContact O-N 2.74Å; E712-Y714 VanDerWaalsContact C-N 3.27Å; E712-Y714 PolarHBondContact O-N 3.21Å; Y714-M716 PolarHBondContact O-N 3.46Å; Y714-Y717 PolarHBondContact O-N 3.45Å; Y714-K718 HydrophobicContact CE1-CD 3.85Å; Y714-K718 HydrophobicContact CE1-CG 4.49Å; Y714-K718 WeakPolarHBondContact O-CA 3.18Å; Y714-K718 WeakPolarHBondContact O-CB 2.99Å; Y714-K718 PolarHBondContact O-N 3.32Å; Y714-K718 WeakPolarHBondContact OH-CE 3.44Å; Y714-T726 WeakPolarHBondContact CE2-O 3.44Å; Y714-T726 PolarHBondContact OH-O 2.81Å; Y714-P730 HydrophobicContact CD1-CG 4.2Å; Y714-P730 HydrophobicContact CD2-CB 4.49Å; Y714-P730 HydrophobicContact CD2-CG 4.3Å; Y714-P730 HydrophobicContact CG-CB 4.14Å; Y714-P730 HydrophobicContact CG-CG 3.92Å; Y714-F733 HydrophobicContact CD2-CB 4.07Å; Y714-F733 AromaticContact CD2-CD1 3.96Å; Y714-F733 HydrophobicContact CD2-CD1 3.96Å; Y714-F733 HydrophobicContact CD2-CD2 4.14Å; Y714-F733 HydrophobicContact CD2-CE1 4.4Å; Y714-F733 AromaticContact CD2-CG 3.81Å; Y714-F733 HydrophobicContact CD2-CG 3.81Å; Y714-F733 HydrophobicContact CE2-CD2 4.5Å |
| 715 | N | 75.4 | Confident | 72.8 | Confident | 105 Ų | 105 | 60.6 Ų | 60.6 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | -178.8 | -73.7 | -15.2 | 0 | 0 | 0 | 113 | H711 E712 | H711-N715 WeakPolarHBondContact O-CB 3.47Å; H711-N715 VanDerWaalsContact O-CG 3.27Å; H711-N715 PolarHBondContact O-N 3.16Å; E712-N715 PolarHBondContact O-N 3.3Å; E712-N715 VanDerWaalsContact O-N 3.07Å |
| 716 | M | 69.8 | Low | 73.3 | Confident | 83 Ų | 83 | 60 Ų | 60 | 41% | 0.409 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 176.4 | -72.8 | 173.2 | 66.6 | 0 | 0 | 112.1 | E712 Y714 | E712-M716 WeakPolarHBondContact O-CB 3.33Å; E712-M716 WeakPolarHBondContact O-CG 3.5Å; E712-M716 PolarHBondContact O-N 2.95Å; Y714-M716 PolarHBondContact O-N 3.46Å |
| 717 | Y | 74.6 | Confident | 73.8 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -99.8 | -7.6 | -169.6 | -54.5 | -58.7 | 0 | 0 | 0 | 114.7 | L713 Y714 A719 Y720 M721 F765 D766 M769 | L713-Y717 HydrophobicContact CD2-CE2 3.84Å; L713-Y717 WeakPolarHBondContact O-CD2 3.34Å; L713-Y717 PolarHBondContact O-N 3.19Å; L713-Y717 VanDerWaalsContact O-N 3.14Å; Y714-Y717 PolarHBondContact O-N 3.45Å; Y717-A719 VanDerWaalsContact C-N 3.26Å; Y717-A719 PolarHBondContact O-N 3.17Å; Y717-Y720 PolarHBondContact O-N 2.66Å; Y717-M721 WeakPolarHBondContact O-CG 3.36Å; Y717-F765 HydrophobicContact CD2-CE1 4.43Å; Y717-F765 HydrophobicContact CD2-CZ 4.37Å; Y717-F765 AromaticContact CE2-CE1 3.53Å; Y717-F765 HydrophobicContact CE2-CE1 3.53Å; Y717-F765 AromaticContact CE2-CZ 3.89Å; Y717-F765 HydrophobicContact CE2-CZ 3.89Å; Y717-F765 AromaticContact CZ-CE1 3.86Å; Y717-D766 PolarHBondContact OH-OD1 3.18Å; Y717-M769 HydrophobicContact CD1-CB 3.81Å; Y717-M769 HydrophobicContact CD1-CE 3.66Å; Y717-M769 HydrophobicContact CD1-CG 4.26Å; Y717-M769 HydrophobicContact CD2-CE 4.11Å; Y717-M769 HydrophobicContact CE1-CB 3.49Å; Y717-M769 VanDerWaalsContact CE1-CB 3.49Å; Y717-M769 HydrophobicContact CE1-CE 4.37Å; Y717-M769 HydrophobicContact CE1-CG 4.04Å; Y717-M769 HydrophobicContact CG-CE 3.5Å; Y717-M769 VanDerWaalsContact CG-CE 3.5Å |
| 718 | K | 79.2 | Confident | 74 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -54.6 | -40.5 | 176.7 | -176.2 | -172.4 | -176.7 | -176.6 | 0 | 112.4 | Y714 Y720 M721 T726 | Y714-K718 HydrophobicContact CE1-CD 3.85Å; Y714-K718 HydrophobicContact CE1-CG 4.49Å; Y714-K718 WeakPolarHBondContact O-CA 3.18Å; Y714-K718 WeakPolarHBondContact O-CB 2.99Å; Y714-K718 PolarHBondContact O-N 3.32Å; Y714-K718 WeakPolarHBondContact OH-CE 3.44Å; K718-Y720 VanDerWaalsContact C-N 3.26Å; K718-Y720 PolarHBondContact O-N 3.1Å; K718-M721 PolarHBondContact O-N 3.1Å; K718-T726 HydrophobicContact CG-CG2 3.59Å |
| 719 | A | 75.1 | Confident | 74.7 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -63.6 | -29.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y717 | Y717-A719 VanDerWaalsContact C-N 3.26Å; Y717-A719 PolarHBondContact O-N 3.17Å |
| 720 | Y | 70 | Confident | 74.9 | Confident | 136 Ų | 136 | 68.9 Ų | 68.9 | 53% | 0.533 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -91.4 | 2 | 179.9 | -51.6 | -85.1 | 0 | 0 | 0 | 112.6 | Y717 K718 L776 | Y717-Y720 PolarHBondContact O-N 2.66Å; K718-Y720 VanDerWaalsContact C-N 3.26Å; K718-Y720 PolarHBondContact O-N 3.1Å; Y720-L776 WeakPolarHBondContact O-CD2 3.22Å |
| 721 | M | 71.7 | Confident | 75.1 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 6% | 0.064 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -119.9 | 139.5 | -167.2 | -75.2 | -75.6 | 166.9 | 0 | 0 | 113 | Y717 K718 L725 T726 F733 L737 M769 L776 L780 | Y717-M721 WeakPolarHBondContact O-CG 3.36Å; K718-M721 PolarHBondContact O-N 3.1Å; M721-L725 HydrophobicContact SD-CD1 4.32Å; M721-T726 HydrophobicContact CB-CG2 4.29Å; M721-T726 VanDerWaalsContact O-CG2 3.24Å; M721-T726 WeakPolarHBondContact O-CG2 3.34Å; M721-F733 HydrophobicContact CB-CE2 4.09Å; M721-F733 HydrophobicContact CB-CZ 4.42Å; M721-F733 HydrophobicContact CG-CE2 3.95Å; M721-F733 HydrophobicContact CG-CZ 3.92Å; M721-L737 HydrophobicContact CE-CD1 3.56Å; M721-M769 HydrophobicContact CE-CE 3.45Å; M721-M769 VanDerWaalsContact CE-CE 3.45Å; M721-M769 HydrophobicContact CE-SD 4.3Å; M721-L776 HydrophobicContact CE-CD1 4.21Å; M721-L776 HydrophobicContact CE-CD2 4Å; M721-L776 HydrophobicContact CE-CG 4.14Å; M721-L776 HydrophobicContact SD-CD2 4.47Å; M721-L780 HydrophobicContact SD-CD2 3.84Å |
| 722 | P | 71.5 | Confident | 75.3 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | trans | -65.8 | 152.2 | -178.7 | -20.1 | 31.4 | 0 | 0 | 0 | 114 | K724 L725 T726 L780 | P722-K724 PolarHBondContact O-N 3.28Å; P722-L725 WeakPolarHBondContact O-CA 3.37Å; P722-L725 WeakPolarHBondContact O-CB 3.34Å; P722-L725 PolarHBondContact O-N 3.11Å; P722-T726 PolarHBondContact O-N 2.69Å; P722-L780 HydrophobicContact CG-CD1 3.59Å; P722-L780 HydrophobicContact CG-CD2 3.91Å; P722-L780 HydrophobicContact CG-CG 4.38Å | ||
| 723 | D | 72.6 | Confident | 76 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -53.9 | -29.5 | -175.8 | -70 | -49.5 | 0 | 0 | 0 | 115.8 | L725 T726 R727 | D723-L725 PolarHBondContact O-N 2.91Å; D723-T726 WeakPolarHBondContact CA-OG1 3.49Å; D723-T726 PolarHBondContact O-N 3.02Å; D723-T726 PolarHBondContact O-OG1 3.42Å; D723-R727 WeakPolarHBondContact O-CB 3.28Å; D723-R727 WeakPolarHBondContact O-CD 3.45Å; D723-R727 WeakPolarHBondContact O-CG 3.24Å; D723-R727 PolarHBondContact O-N 3.15Å |
| 724 | K | 71 | Confident | 76.4 | Confident | 167 Ų | 167 | 67.7 Ų | 67.7 | 73% | 0.726 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64 | -24.7 | 176.7 | -66.3 | 178.1 | -179 | 173.3 | 0 | 112.4 | P722 | P722-K724 PolarHBondContact O-N 3.28Å |
| 725 | L | 70.3 | Confident | 76.5 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -96.7 | -39.1 | 177.7 | -110.8 | 154.3 | 0 | 0 | 0 | 112.4 | M721 P722 D723 R727 L728 F733 L780 V783 | M721-L725 HydrophobicContact SD-CD1 4.32Å; P722-L725 WeakPolarHBondContact O-CA 3.37Å; P722-L725 WeakPolarHBondContact O-CB 3.34Å; P722-L725 PolarHBondContact O-N 3.11Å; D723-L725 PolarHBondContact O-N 2.91Å; L725-R727 PolarHBondContact O-N 3.43Å; L725-L728 HydrophobicContact CD2-CD1 3.81Å; L725-L728 WeakPolarHBondContact O-CB 3.5Å; L725-L728 WeakPolarHBondContact O-CG 3.25Å; L725-L728 PolarHBondContact O-N 3.34Å; L725-F733 HydrophobicContact CD2-CD2 3.76Å; L725-F733 HydrophobicContact CD2-CE2 4.16Å; L725-L780 HydrophobicContact CD1-CD2 3.23Å; L725-V783 HydrophobicContact CD1-CB 4.3Å; L725-V783 HydrophobicContact CD1-CG1 3.78Å; L725-V783 HydrophobicContact CD2-CG1 4.03Å; L725-V783 HydrophobicContact CG-CG1 4.16Å |
| 726 | T | 76.4 | Confident | 76.6 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 9% | 0.086 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -23.5 | 177.1 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | Y714 K718 M721 P722 D723 L728 | Y714-T726 WeakPolarHBondContact CE2-O 3.44Å; Y714-T726 PolarHBondContact OH-O 2.81Å; K718-T726 HydrophobicContact CG-CG2 3.59Å; M721-T726 HydrophobicContact CB-CG2 4.29Å; M721-T726 VanDerWaalsContact O-CG2 3.24Å; M721-T726 WeakPolarHBondContact O-CG2 3.34Å; P722-T726 PolarHBondContact O-N 2.69Å; D723-T726 WeakPolarHBondContact CA-OG1 3.49Å; D723-T726 PolarHBondContact O-N 3.02Å; D723-T726 PolarHBondContact O-OG1 3.42Å; T726-L728 PolarHBondContact O-N 2.91Å |
| 727 | R | 79.4 | Confident | 76.9 | Confident | 209 Ų | 209 | 60.3 Ų | 60.3 | 79% | 0.789 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -3.1 | 171 | -70.1 | 170.8 | -167.9 | -155.5 | 3.7 | 115 | D723 L725 | D723-R727 WeakPolarHBondContact O-CB 3.28Å; D723-R727 WeakPolarHBondContact O-CD 3.45Å; D723-R727 WeakPolarHBondContact O-CG 3.24Å; D723-R727 PolarHBondContact O-N 3.15Å; L725-R727 PolarHBondContact O-N 3.43Å |
| 728 | L | 78.9 | Confident | 77.1 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -82.6 | 148.7 | 172.6 | -59.8 | -177.5 | 0 | 0 | 0 | 111 | L725 T726 F733 L787 | L725-L728 HydrophobicContact CD2-CD1 3.81Å; L725-L728 WeakPolarHBondContact O-CB 3.5Å; L725-L728 WeakPolarHBondContact O-CG 3.25Å; L725-L728 PolarHBondContact O-N 3.34Å; T726-L728 PolarHBondContact O-N 2.91Å; L728-F733 HydrophobicContact CB-CB 4.21Å; L728-L787 HydrophobicContact CD1-CD1 3.91Å; L728-L787 HydrophobicContact CD1-CD2 3.65Å; L728-L787 HydrophobicContact CD1-CG 4.45Å; L728-L787 HydrophobicContact CD2-CD2 4.44Å |
| 729 | N | 80.9 | Confident | 76.9 | Confident | 89 Ų | 89 | 60.3 Ų | 60.3 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | trans | -67.3 | 146.6 | 170.1 | 69.8 | -67.3 | 0 | 0 | 0 | 110.5 | R731 L732 F733 | N729-R731 VanDerWaalsContact C-N 3.29Å; N729-R731 PolarHBondContact O-N 3.02Å; N729-L732 PolarHBondContact O-N 2.93Å; N729-L732 WeakPolarHBondContact OD1-CB 3.25Å; N729-L732 WeakPolarHBondContact OD1-CD1 3.48Å; N729-F733 PolarHBondContact O-N 3.19Å | ||
| 730 | P | 80.5 | Confident | 76.6 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 26% | 0.26 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -51.1 | -38.6 | -167.3 | -32.8 | 36.2 | 0 | 0 | 0 | 116.1 | F710 Y714 F733 C734 | F710-P730 HydrophobicContact CB-CB 4.06Å; F710-P730 WeakPolarHBondContact O-CB 3.47Å; Y714-P730 HydrophobicContact CD1-CG 4.2Å; Y714-P730 HydrophobicContact CD2-CB 4.49Å; Y714-P730 HydrophobicContact CD2-CG 4.3Å; Y714-P730 HydrophobicContact CG-CB 4.14Å; Y714-P730 HydrophobicContact CG-CG 3.92Å; P730-F733 WeakPolarHBondContact O-CB 3.09Å; P730-F733 PolarHBondContact O-N 2.95Å; P730-C734 PolarHBondContact O-N 3.05Å; P730-C734 PolarHBondContact O-SG 3.22Å |
| 731 | R | 82.2 | Confident | 76.6 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 32% | 0.317 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.4 | -30.2 | 178.7 | -168.9 | 165.9 | -171.8 | -149.7 | -2.8 | 113.7 | F710 N729 K735 G751 L752 | F710-R731 HydrophobicContact CB-CB 4.4Å; F710-R731 HydrophobicContact CD1-CB 4.16Å; F710-R731 HydrophobicContact CD1-CG 4.04Å; F710-R731 HydrophobicContact CD2-CB 3.95Å; F710-R731 HydrophobicContact CD2-CG 3.78Å; F710-R731 HydrophobicContact CE1-CB 4.47Å; F710-R731 HydrophobicContact CE1-CG 3.84Å; F710-R731 HydrophobicContact CE2-CB 4.32Å; F710-R731 VanDerWaalsContact CE2-CD 3.42Å; F710-R731 HydrophobicContact CE2-CG 3.62Å; F710-R731 HydrophobicContact CG-CB 3.91Å; F710-R731 HydrophobicContact CG-CG 4.03Å; F710-R731 HydrophobicContact CZ-CG 3.67Å; N729-R731 VanDerWaalsContact C-N 3.29Å; N729-R731 PolarHBondContact O-N 3.02Å; R731-K735 WeakPolarHBondContact O-CB 3.26Å; R731-K735 VanDerWaalsContact O-CG 3.27Å; R731-K735 WeakPolarHBondContact O-CG 3.18Å; R731-K735 PolarHBondContact O-N 3.47Å; R731-G751 PolarHBondContact NE-O 2.83Å; R731-G751 PolarHBondContact NH2-O 3.14Å; R731-L752 PolarHBondContact NE-O 3.34Å; R731-L752 PolarHBondContact NH1-O 3.21Å |
| 732 | L | 80.8 | Confident | 76.5 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -81.7 | -33 | 171.8 | -86.8 | 174.9 | 0 | 0 | 0 | 112.2 | N729 K735 A736 | N729-L732 PolarHBondContact O-N 2.93Å; N729-L732 WeakPolarHBondContact OD1-CB 3.25Å; N729-L732 WeakPolarHBondContact OD1-CD1 3.48Å; L732-K735 PolarHBondContact O-N 2.95Å; L732-A736 VanDerWaalsContact O-CB 3.25Å; L732-A736 WeakPolarHBondContact O-CB 3.29Å; L732-A736 PolarHBondContact O-N 2.84Å |
| 733 | F | 83.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.1 | -56.1 | 169.8 | 173.9 | -94.5 | 0 | 0 | 0 | 110.7 | Y714 M721 L725 L728 N729 P730 K735 A736 L737 | Y714-F733 HydrophobicContact CD2-CB 4.07Å; Y714-F733 AromaticContact CD2-CD1 3.96Å; Y714-F733 HydrophobicContact CD2-CD1 3.96Å; Y714-F733 HydrophobicContact CD2-CD2 4.14Å; Y714-F733 HydrophobicContact CD2-CE1 4.4Å; Y714-F733 AromaticContact CD2-CG 3.81Å; Y714-F733 HydrophobicContact CD2-CG 3.81Å; Y714-F733 HydrophobicContact CE2-CD2 4.5Å; M721-F733 HydrophobicContact CB-CE2 4.09Å; M721-F733 HydrophobicContact CB-CZ 4.42Å; M721-F733 HydrophobicContact CG-CE2 3.95Å; M721-F733 HydrophobicContact CG-CZ 3.92Å; L725-F733 HydrophobicContact CD2-CD2 3.76Å; L725-F733 HydrophobicContact CD2-CE2 4.16Å; L728-F733 HydrophobicContact CB-CB 4.21Å; N729-F733 PolarHBondContact O-N 3.19Å; P730-F733 WeakPolarHBondContact O-CB 3.09Å; P730-F733 PolarHBondContact O-N 2.95Å; F733-K735 PolarHBondContact O-N 3.23Å; F733-A736 PolarHBondContact O-N 3.02Å; F733-L737 HydrophobicContact CE1-CD2 4.37Å; F733-L737 WeakPolarHBondContact O-CB 3.31Å; F733-L737 PolarHBondContact O-N 3.45Å |
| 734 | C | 81.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | F710 P730 A736 L737 F738 V755 | F710-C734 HydrophobicContact CD1-CB 3.81Å; F710-C734 HydrophobicContact CE1-CB 4.2Å; P730-C734 PolarHBondContact O-N 3.05Å; P730-C734 PolarHBondContact O-SG 3.22Å; C734-A736 VanDerWaalsContact C-N 3.31Å; C734-A736 PolarHBondContact O-N 2.98Å; C734-L737 PolarHBondContact O-N 3.45Å; C734-F738 HydrophobicContact CB-CE2 4.37Å; C734-F738 WeakPolarHBondContact O-CD2 3.21Å; C734-F738 PolarHBondContact O-N 2.85Å; C734-F738 VanDerWaalsContact O-N 3.08Å; C734-V755 HydrophobicContact CB-CG2 4.44Å |
| 735 | K | 81.9 | Confident | 77.1 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 177.9 | -78.8 | -171.4 | 173.6 | -161.6 | 0 | 113.8 | R731 L732 F733 F750 | R731-K735 WeakPolarHBondContact O-CB 3.26Å; R731-K735 VanDerWaalsContact O-CG 3.27Å; R731-K735 WeakPolarHBondContact O-CG 3.18Å; R731-K735 PolarHBondContact O-N 3.47Å; L732-K735 PolarHBondContact O-N 2.95Å; F733-K735 PolarHBondContact O-N 3.23Å; K735-F750 HydrophobicContact CB-CE2 4.39Å; K735-F750 HydrophobicContact CB-CZ 4.22Å; K735-F750 HydrophobicContact CD-CD2 4.34Å; K735-F750 HydrophobicContact CD-CE2 4.44Å; K735-F750 HydrophobicContact CG-CD1 4.1Å; K735-F750 HydrophobicContact CG-CD2 3.95Å; K735-F750 HydrophobicContact CG-CE1 3.83Å; K735-F750 HydrophobicContact CG-CE2 3.65Å; K735-F750 HydrophobicContact CG-CG 4.17Å; K735-F750 HydrophobicContact CG-CZ 3.6Å |
| 736 | A | 77.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.9 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L732 F733 C734 A740 V783 W786 L787 | L732-A736 VanDerWaalsContact O-CB 3.25Å; L732-A736 WeakPolarHBondContact O-CB 3.29Å; L732-A736 PolarHBondContact O-N 2.84Å; F733-A736 PolarHBondContact O-N 3.02Å; C734-A736 VanDerWaalsContact C-N 3.31Å; C734-A736 PolarHBondContact O-N 2.98Å; A736-A740 PolarHBondContact O-N 2.87Å; A736-V783 HydrophobicContact CB-CG1 3.88Å; A736-W786 HydrophobicContact CB-CE3 3.88Å; A736-W786 HydrophobicContact CB-CZ3 3.77Å; A736-L787 HydrophobicContact CB-CD2 3.83Å; A736-L787 HydrophobicContact CB-CG 4.2Å |
| 737 | L | 76.8 | Confident | 77.3 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -55.3 | 179.5 | -178.1 | 65.2 | 0 | 0 | 0 | 112.4 | M721 F733 C734 K739 A740 L741 F765 M769 L779 | M721-L737 HydrophobicContact CE-CD1 3.56Å; F733-L737 HydrophobicContact CE1-CD2 4.37Å; F733-L737 WeakPolarHBondContact O-CB 3.31Å; F733-L737 PolarHBondContact O-N 3.45Å; C734-L737 PolarHBondContact O-N 3.45Å; L737-K739 VanDerWaalsContact C-N 3.33Å; L737-K739 PolarHBondContact O-N 2.97Å; L737-A740 PolarHBondContact O-N 2.83Å; L737-L741 HydrophobicContact CD1-CD1 4.48Å; L737-L741 HydrophobicContact CG-CD1 4.15Å; L737-L741 PolarHBondContact O-N 2.88Å; L737-F765 HydrophobicContact CD2-CE2 4.06Å; L737-F765 HydrophobicContact CD2-CZ 3.92Å; L737-F765 HydrophobicContact CG-CE2 4.46Å; L737-M769 HydrophobicContact CD1-CE 4.02Å; L737-M769 HydrophobicContact CD1-SD 3.76Å; L737-M769 HydrophobicContact CD2-CE 3.77Å; L737-M769 HydrophobicContact CD2-SD 3.83Å; L737-M769 HydrophobicContact CG-CE 4.46Å; L737-M769 HydrophobicContact CG-SD 4.11Å; L737-L779 HydrophobicContact CD1-CD2 3.77Å |
| 738 | F | 78.8 | Confident | 77.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | -175.3 | -76.3 | -126 | 0 | 0 | 0 | 112.1 | C734 A740 L741 G742 L743 F748 F750 V755 F757 F765 | C734-F738 HydrophobicContact CB-CE2 4.37Å; C734-F738 WeakPolarHBondContact O-CD2 3.21Å; C734-F738 PolarHBondContact O-N 2.85Å; C734-F738 VanDerWaalsContact O-N 3.08Å; F738-A740 PolarHBondContact O-N 2.94Å; F738-L741 PolarHBondContact O-N 2.97Å; F738-G742 PolarHBondContact O-N 3.21Å; F738-L743 HydrophobicContact CD1-CD1 3.77Å; F738-L743 HydrophobicContact CE1-CD1 4.25Å; F738-L743 HydrophobicContact CG-CD1 4.32Å; F738-F748 HydrophobicContact CB-CE2 4.08Å; F738-F748 HydrophobicContact CB-CZ 3.99Å; F738-F748 HydrophobicContact CD1-CD1 4.16Å; F738-F748 AromaticContact CD1-CD2 3.51Å; F738-F748 HydrophobicContact CD1-CD2 3.51Å; F738-F748 HydrophobicContact CD1-CE1 4.24Å; F738-F748 AromaticContact CD1-CE2 3.6Å; F738-F748 HydrophobicContact CD1-CE2 3.6Å; F738-F748 AromaticContact CD1-CG 3.82Å; F738-F748 HydrophobicContact CD1-CG 3.82Å; F738-F748 AromaticContact CD1-CZ 3.98Å; F738-F748 HydrophobicContact CD1-CZ 3.98Å; F738-F748 AromaticContact CE1-CD2 3.92Å; F738-F748 HydrophobicContact CE1-CD2 3.92Å; F738-F748 HydrophobicContact CE1-CE2 4.43Å; F738-F748 HydrophobicContact CE1-CG 4.12Å; F738-F748 HydrophobicContact CG-CE2 4.22Å; F738-F748 HydrophobicContact CG-CZ 4.48Å; F738-F750 HydrophobicContact CB-CZ 4.04Å; F738-F750 HydrophobicContact CD1-CZ 4.48Å; F738-F750 HydrophobicContact CG-CZ 4.16Å; F738-V755 HydrophobicContact CE1-CG1 3.65Å; F738-V755 HydrophobicContact CZ-CB 4.45Å; F738-V755 HydrophobicContact CZ-CG1 3.79Å; F738-V755 HydrophobicContact CZ-CG2 4.28Å; F738-F757 HydrophobicContact CE1-CD1 4.4Å; F738-F757 AromaticContact CE1-CE1 3.51Å; F738-F757 HydrophobicContact CE1-CE1 3.51Å; F738-F757 AromaticContact CE1-CZ 3.66Å; F738-F757 HydrophobicContact CE1-CZ 3.66Å; F738-F757 AromaticContact CZ-CE1 3.8Å; F738-F757 HydrophobicContact CZ-CE1 3.8Å; F738-F757 HydrophobicContact CZ-CE2 4.48Å; F738-F757 AromaticContact CZ-CZ 3.49Å; F738-F757 HydrophobicContact CZ-CZ 3.49Å; F738-F757 VanDerWaalsContact CZ-CZ 3.49Å; F738-F765 AromaticContact CD2-CE2 3.94Å; F738-F765 HydrophobicContact CD2-CE2 3.94Å; F738-F765 HydrophobicContact CD2-CZ 4.26Å; F738-F765 HydrophobicContact CE1-CD2 4.48Å; F738-F765 HydrophobicContact CE1-CE2 4.39Å; F738-F765 HydrophobicContact CE2-CD2 4.36Å; F738-F765 HydrophobicContact CE2-CE1 4.22Å; F738-F765 AromaticContact CE2-CE2 3.51Å; F738-F765 HydrophobicContact CE2-CE2 3.51Å; F738-F765 AromaticContact CE2-CZ 3.44Å; F738-F765 HydrophobicContact CE2-CZ 3.44Å; F738-F765 VanDerWaalsContact CE2-CZ 3.44Å; F738-F765 HydrophobicContact CZ-CD1 4.5Å; F738-F765 HydrophobicContact CZ-CD2 4.22Å; F738-F765 HydrophobicContact CZ-CE1 4.08Å; F738-F765 AromaticContact CZ-CE2 3.78Å; F738-F765 HydrophobicContact CZ-CE2 3.78Å; F738-F765 AromaticContact CZ-CZ 3.71Å; F738-F765 HydrophobicContact CZ-CZ 3.71Å |
| 739 | K | 73.3 | Confident | 77.7 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.8 | -11.8 | 176 | -74.4 | -168 | 172.3 | -69.9 | 0 | 114.1 | L737 E745 W786 | L737-K739 VanDerWaalsContact C-N 3.33Å; L737-K739 PolarHBondContact O-N 2.97Å; K739-E745 IonicContact NZ-OE1 3.66Å; K739-E745 PolarHBondContact NZ-OE1 3.38Å; K739-W786 HydrophobicContact CD-CZ2 4.35Å |
| 740 | A | 69.8 | Low | 78 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -93.1 | -27 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | A736 L737 F738 L779 K782 V783 | A736-A740 PolarHBondContact O-N 2.87Å; L737-A740 PolarHBondContact O-N 2.83Å; F738-A740 PolarHBondContact O-N 2.94Å; A740-L779 HydrophobicContact CB-CD1 4.39Å; A740-L779 HydrophobicContact CB-CG 4.05Å; A740-L779 WeakPolarHBondContact O-CD1 3.33Å; A740-K782 HydrophobicContact CB-CB 3.99Å; A740-V783 HydrophobicContact CB-CB 4.2Å; A740-V783 HydrophobicContact CB-CG2 3.24Å |
| 741 | L | 70.8 | Confident | 78.1 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.8 | -18.8 | 168.9 | -72.6 | 161 | 0 | 0 | 0 | 112.9 | L737 F738 L743 F765 I768 M769 L779 | L737-L741 HydrophobicContact CD1-CD1 4.48Å; L737-L741 HydrophobicContact CG-CD1 4.15Å; L737-L741 PolarHBondContact O-N 2.88Å; F738-L741 PolarHBondContact O-N 2.97Å; L741-L743 HydrophobicContact CB-CD1 4.37Å; L741-L743 HydrophobicContact CB-CG 4.03Å; L741-L743 HydrophobicContact CD1-CD1 4.33Å; L741-L743 PolarHBondContact O-N 3.48Å; L741-F765 HydrophobicContact CD1-CD2 3.66Å; L741-F765 HydrophobicContact CD1-CE2 3.53Å; L741-I768 HydrophobicContact CD2-CG2 3.56Å; L741-M769 HydrophobicContact CD1-SD 4.32Å; L741-L779 HydrophobicContact CB-CD1 4.37Å; L741-L779 HydrophobicContact CD2-CD1 3.57Å; L741-L779 HydrophobicContact CD2-CD2 4.04Å; L741-L779 HydrophobicContact CD2-CG 4.46Å; L741-L779 HydrophobicContact CG-CD1 3.81Å; L741-L779 HydrophobicContact CG-CD2 4.05Å |
| 742 | G | 69.3 | Low | 78.2 | Confident | 65 Ų | 65 | 48 Ų | 48 | 67% | 0.67 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 14.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F738 | F738-G742 PolarHBondContact O-N 3.21Š|
| 743 | L | 74.7 | Confident | 78 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | trans | -54.4 | 145.2 | 175.5 | -66.5 | 173.1 | 0 | 0 | 0 | 110.9 | F738 L741 F748 F765 | F738-L743 HydrophobicContact CD1-CD1 3.77Å; F738-L743 HydrophobicContact CE1-CD1 4.25Å; F738-L743 HydrophobicContact CG-CD1 4.32Å; L741-L743 HydrophobicContact CB-CD1 4.37Å; L741-L743 HydrophobicContact CB-CG 4.03Å; L741-L743 HydrophobicContact CD1-CD1 4.33Å; L741-L743 PolarHBondContact O-N 3.48Å; L743-F748 HydrophobicContact CB-CD1 3.75Å; L743-F748 HydrophobicContact CB-CE1 3.46Å; L743-F748 VanDerWaalsContact CB-CE1 3.46Å; L743-F748 HydrophobicContact CB-CZ 4.47Å; L743-F748 HydrophobicContact CD1-CD1 4.48Å; L743-F748 WeakPolarHBondContact O-CE1 3.1Å; L743-F765 HydrophobicContact CD1-CD2 4.04Å | ||
| 744 | N | 77.4 | Confident | 77.9 | Confident | 87 Ų | 87 | 51.1 Ų | 51.1 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | trans | -78.1 | 139.3 | -176.6 | -164.5 | -16.3 | 0 | 0 | 0 | 111.2 | K746 D747 F748 | N744-K746 PolarHBondContact O-N 3.35Å; N744-K746 VanDerWaalsContact O-N 3.07Å; N744-K746 PolarHBondContact OD1-N 2.9Å; N744-D747 HydrophobicContact CB-CB 4.42Å; N744-D747 VanDerWaalsContact CB-OD2 3.29Å; N744-D747 WeakPolarHBondContact CB-OD2 3.24Å; N744-D747 WeakPolarHBondContact O-CB 3.48Å; N744-D747 PolarHBondContact O-N 2.95Å; N744-F748 WeakPolarHBondContact O-CD1 3.48Å; N744-F748 VanDerWaalsContact O-CE1 3.29Å; N744-F748 WeakPolarHBondContact O-CE1 3.27Å; N744-F748 PolarHBondContact O-N 3.23Å | ||
| 745 | E | 74.9 | Confident | 78 | Confident | 119 Ų | 119 | 51.1 Ų | 51.1 | 56% | 0.556 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -1.3 | 176.5 | -59.7 | -166.7 | 156.6 | 0 | 0 | 113.1 | K739 | K739-E745 IonicContact NZ-OE1 3.66Å; K739-E745 PolarHBondContact NZ-OE1 3.38Å |
| 746 | K | 75.1 | Confident | 78.1 | Confident | 158 Ų | 158 | 48 Ų | 48 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -29.4 | 164 | -66.6 | -170.1 | 176.6 | -172.7 | 0 | 113.8 | N744 R758 | N744-K746 PolarHBondContact O-N 3.35Å; N744-K746 VanDerWaalsContact O-N 3.07Å; N744-K746 PolarHBondContact OD1-N 2.9Å; K746-R758 VanDerWaalsContact O-CD 3.31Å; K746-R758 WeakPolarHBondContact O-CD 3.49Å; K746-R758 PolarHBondContact O-NE 2.98Å |
| 747 | D | 76.6 | Confident | 78 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -26.4 | -174 | -69.6 | -33.6 | 0 | 0 | 0 | 112.6 | N744 F757 R758 K761 | N744-D747 HydrophobicContact CB-CB 4.42Å; N744-D747 VanDerWaalsContact CB-OD2 3.29Å; N744-D747 WeakPolarHBondContact CB-OD2 3.24Å; N744-D747 WeakPolarHBondContact O-CB 3.48Å; N744-D747 PolarHBondContact O-N 2.95Å; D747-F757 WeakPolarHBondContact O-CA 3.1Å; D747-R758 PolarHBondContact O-N 3Å; D747-K761 HydrophobicContact CB-CG 4.05Å |
| 748 | F | 82.4 | Confident | 77.9 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.7 | 178.1 | 76.3 | -79.2 | 0 | 0 | 0 | 111.2 | F738 L743 N744 F750 V755 F756 F757 | F738-F748 HydrophobicContact CB-CE2 4.08Å; F738-F748 HydrophobicContact CB-CZ 3.99Å; F738-F748 HydrophobicContact CD1-CD1 4.16Å; F738-F748 AromaticContact CD1-CD2 3.51Å; F738-F748 HydrophobicContact CD1-CD2 3.51Å; F738-F748 HydrophobicContact CD1-CE1 4.24Å; F738-F748 AromaticContact CD1-CE2 3.6Å; F738-F748 HydrophobicContact CD1-CE2 3.6Å; F738-F748 AromaticContact CD1-CG 3.82Å; F738-F748 HydrophobicContact CD1-CG 3.82Å; F738-F748 AromaticContact CD1-CZ 3.98Å; F738-F748 HydrophobicContact CD1-CZ 3.98Å; F738-F748 AromaticContact CE1-CD2 3.92Å; F738-F748 HydrophobicContact CE1-CD2 3.92Å; F738-F748 HydrophobicContact CE1-CE2 4.43Å; F738-F748 HydrophobicContact CE1-CG 4.12Å; F738-F748 HydrophobicContact CG-CE2 4.22Å; F738-F748 HydrophobicContact CG-CZ 4.48Å; L743-F748 HydrophobicContact CB-CD1 3.75Å; L743-F748 HydrophobicContact CB-CE1 3.46Å; L743-F748 VanDerWaalsContact CB-CE1 3.46Å; L743-F748 HydrophobicContact CB-CZ 4.47Å; L743-F748 HydrophobicContact CD1-CD1 4.48Å; L743-F748 WeakPolarHBondContact O-CE1 3.1Å; N744-F748 WeakPolarHBondContact O-CD1 3.48Å; N744-F748 VanDerWaalsContact O-CE1 3.29Å; N744-F748 WeakPolarHBondContact O-CE1 3.27Å; N744-F748 PolarHBondContact O-N 3.23Å; F748-F750 HydrophobicContact CD2-CE2 4.45Å; F748-F750 HydrophobicContact CD2-CZ 4.35Å; F748-F750 HydrophobicContact CE2-CD2 4.04Å; F748-F750 HydrophobicContact CE2-CE1 4.27Å; F748-F750 AromaticContact CE2-CE2 3.52Å; F748-F750 HydrophobicContact CE2-CE2 3.52Å; F748-F750 AromaticContact CE2-CZ 3.63Å; F748-F750 HydrophobicContact CE2-CZ 3.63Å; F748-F750 HydrophobicContact CZ-CE2 4.31Å; F748-V755 HydrophobicContact CD2-CG1 4.28Å; F748-F756 CarbonylContact C-O 3.51Å; F748-F756 WeakPolarHBondContact CA-O 3.47Å; F748-F756 VanDerWaalsContact CB-O 3.25Å; F748-F756 WeakPolarHBondContact CB-O 3.4Å; F748-F757 HydrophobicContact CB-CD1 4.13Å; F748-F757 HydrophobicContact CB-CG 4.43Å |
| 749 | K | 84.4 | Confident | 77.1 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 30% | 0.296 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.4 | 171.9 | -76.8 | -171.4 | 179.4 | 174.8 | 0 | 111.4 | L499 G500 F704 F756 | L499-K749 HydrophobicContact CB-CD 4.36Å; L499-K749 HydrophobicContact CD2-CB 4.09Å; L499-K749 VanDerWaalsContact O-CD 3.27Å; L499-K749 WeakPolarHBondContact O-CD 3.47Å; L499-K749 WeakPolarHBondContact O-CE 3.33Å; L499-K749 PolarHBondContact O-NZ 3.23Å; G500-K749 PolarHBondContact O-NZ 2.81Å; F704-K749 HydrophobicContact CE1-CB 4.45Å; F704-K749 HydrophobicContact CE1-CD 4.48Å; F704-K749 HydrophobicContact CE1-CG 4.11Å; F704-K749 HydrophobicContact CE2-CD 3.67Å; F704-K749 HydrophobicContact CE2-CG 4.15Å; F704-K749 HydrophobicContact CZ-CB 4.26Å; F704-K749 HydrophobicContact CZ-CD 3.56Å; F704-K749 HydrophobicContact CZ-CG 3.64Å; K749-F756 PolarHBondContact N-O 3.21Å; K749-F756 PolarHBondContact O-N 3.43Å |
| 750 | F | 85.6 | Confident | 76.5 | Confident | 44 Ų | 44 | 50 Ų | 50 | 19% | 0.193 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 103.1 | 174.1 | -74 | -58.3 | 0 | 0 | 0 | 111.2 | F710 K735 F738 F748 V755 | F710-F750 AromaticContact CE1-CD1 3.77Å; F710-F750 HydrophobicContact CE1-CD1 3.77Å; F710-F750 HydrophobicContact CE1-CE1 4.15Å; F710-F750 HydrophobicContact CZ-CD1 4.05Å; K735-F750 HydrophobicContact CB-CE2 4.39Å; K735-F750 HydrophobicContact CB-CZ 4.22Å; K735-F750 HydrophobicContact CD-CD2 4.34Å; K735-F750 HydrophobicContact CD-CE2 4.44Å; K735-F750 HydrophobicContact CG-CD1 4.1Å; K735-F750 HydrophobicContact CG-CD2 3.95Å; K735-F750 HydrophobicContact CG-CE1 3.83Å; K735-F750 HydrophobicContact CG-CE2 3.65Å; K735-F750 HydrophobicContact CG-CG 4.17Å; K735-F750 HydrophobicContact CG-CZ 3.6Å; F738-F750 HydrophobicContact CB-CZ 4.04Å; F738-F750 HydrophobicContact CD1-CZ 4.48Å; F738-F750 HydrophobicContact CG-CZ 4.16Å; F748-F750 HydrophobicContact CD2-CE2 4.45Å; F748-F750 HydrophobicContact CD2-CZ 4.35Å; F748-F750 HydrophobicContact CE2-CD2 4.04Å; F748-F750 HydrophobicContact CE2-CE1 4.27Å; F748-F750 AromaticContact CE2-CE2 3.52Å; F748-F750 HydrophobicContact CE2-CE2 3.52Å; F748-F750 AromaticContact CE2-CZ 3.63Å; F748-F750 HydrophobicContact CE2-CZ 3.63Å; F748-F750 HydrophobicContact CZ-CE2 4.31Å; F750-V755 HydrophobicContact CD1-CG1 4.42Å; F750-V755 HydrophobicContact CD1-CG2 3.99Å; F750-V755 HydrophobicContact CE1-CG1 4.37Å; F750-V755 HydrophobicContact CE1-CG2 3.91Å |
| 751 | G | 84.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -68.4 | -175.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | E497 R731 K754 | E497-G751 WeakPolarHBondContact O-CA 3.47Å; E497-G751 VanDerWaalsContact OE2-C 3.29Å; E497-G751 VanDerWaalsContact OE2-CA 3.3Å; E497-G751 WeakPolarHBondContact OE2-CA 3.2Å; R731-G751 PolarHBondContact NE-O 2.83Å; R731-G751 PolarHBondContact NH2-O 3.14Å; G751-K754 WeakPolarHBondContact CA-O 3.25Å; G751-K754 PolarHBondContact N-O 3.18Å | ||
| 752 | L | 82.6 | Confident | 76.4 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 51% | 0.508 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -68.1 | -44.9 | 174.5 | -62.5 | -174 | 0 | 0 | 0 | 112.2 | R496 E497 R731 | R496-L752 WeakPolarHBondContact O-CD1 3.49Å; E497-L752 PolarHBondContact O-N 2.89Å; E497-L752 PolarHBondContact OE2-N 3.29Å; R731-L752 PolarHBondContact NE-O 3.34Å; R731-L752 PolarHBondContact NH1-O 3.21Å |
| 753 | T | 77.1 | Confident | 76 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -120.1 | -18.5 | -174.2 | 74.9 | 0 | 0 | 0 | 0 | 114.3 | E497 F710 | E497-T753 WeakPolarHBondContact OE1-CB 3.42Å; E497-T753 WeakPolarHBondContact OE1-CG2 3.24Å; E497-T753 PolarHBondContact OE1-N 2.97Å; E497-T753 PolarHBondContact OE1-OG1 2.92Å; E497-T753 PolarHBondContact OE2-N 2.88Å; F710-T753 WeakPolarHBondContact CD2-O 3.37Å; F710-T753 PolarHBondContact N-O 3.44Å |
| 754 | K | 81.6 | Confident | 75.6 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162.2 | -179.3 | -50.8 | -176.9 | -173.2 | 177.6 | 0 | 113 | E497 P709 F710 G751 F756 | E497-K754 PolarHBondContact OE2-N 3.3Å; E497-K754 VanDerWaalsContact OE2-N 3.11Å; P709-K754 HydrophobicContact CG-CD 4.44Å; P709-K754 HydrophobicContact CG-CG 4.32Å; F710-K754 WeakPolarHBondContact CZ-O 3.27Å; G751-K754 WeakPolarHBondContact CA-O 3.25Å; G751-K754 PolarHBondContact N-O 3.18Å; K754-F756 HydrophobicContact CB-CD2 4.26Å; K754-F756 HydrophobicContact CB-CE2 3.77Å; K754-F756 HydrophobicContact CB-CZ 4.29Å; K754-F756 HydrophobicContact CD-CZ 4.43Å |
| 755 | V | 83 | Confident | 75.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 138.9 | 157.8 | -170.8 | 0 | 0 | 0 | 0 | 108.2 | R707 A708 F710 L713 C734 F738 F748 F750 F757 | R707-V755 CarbonylContact C-O 3.56Å; R707-V755 VanDerWaalsContact CA-O 3.26Å; R707-V755 WeakPolarHBondContact CA-O 3.43Å; A708-V755 PolarHBondContact N-O 3.01Å; A708-V755 PolarHBondContact O-N 2.88Å; F710-V755 HydrophobicContact CD1-CG2 3.8Å; F710-V755 HydrophobicContact CE1-CG2 3.43Å; F710-V755 VanDerWaalsContact CE1-CG2 3.43Å; F710-V755 HydrophobicContact CZ-CG2 4.24Å; L713-V755 HydrophobicContact CD1-CB 3.99Å; L713-V755 HydrophobicContact CD1-CG2 3.47Å; L713-V755 VanDerWaalsContact CD1-CG2 3.47Å; C734-V755 HydrophobicContact CB-CG2 4.44Å; F738-V755 HydrophobicContact CE1-CG1 3.65Å; F738-V755 HydrophobicContact CZ-CB 4.45Å; F738-V755 HydrophobicContact CZ-CG1 3.79Å; F738-V755 HydrophobicContact CZ-CG2 4.28Å; F748-V755 HydrophobicContact CD2-CG1 4.28Å; F750-V755 HydrophobicContact CD1-CG1 4.42Å; F750-V755 HydrophobicContact CD1-CG2 3.99Å; F750-V755 HydrophobicContact CE1-CG1 4.37Å; F750-V755 HydrophobicContact CE1-CG2 3.91Å; V755-F757 HydrophobicContact CB-CE2 3.95Å; V755-F757 HydrophobicContact CB-CZ 4.46Å; V755-F757 HydrophobicContact CG1-CD2 4.13Å; V755-F757 HydrophobicContact CG1-CE2 3.7Å; V755-F757 HydrophobicContact CG1-CZ 3.96Å |
| 756 | F | 83.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.3 | 177.8 | -74.5 | -92.6 | 0 | 0 | 0 | 109.2 | L493 Y494 E497 L499 F704 S706 R707 F748 K749 K754 | L493-F756 HydrophobicContact CD2-CE1 4.02Å; L493-F756 HydrophobicContact CD2-CZ 3.87Å; L493-F756 HydrophobicContact CG-CZ 4.18Å; Y494-F756 HydrophobicContact CD1-CD1 4.44Å; Y494-F756 HydrophobicContact CD1-CE1 4.08Å; Y494-F756 HydrophobicContact CE1-CD1 4.11Å; Y494-F756 AromaticContact CE1-CE1 3.91Å; Y494-F756 HydrophobicContact CE1-CE1 3.91Å; E497-F756 HydrophobicContact CB-CE2 3.82Å; E497-F756 HydrophobicContact CB-CZ 4.16Å; E497-F756 HydrophobicContact CG-CE2 3.74Å; E497-F756 HydrophobicContact CG-CZ 3.86Å; L499-F756 HydrophobicContact CD1-CB 4.11Å; L499-F756 HydrophobicContact CD1-CD1 3.77Å; L499-F756 HydrophobicContact CD1-CD2 3.75Å; L499-F756 HydrophobicContact CD1-CE1 4.05Å; L499-F756 HydrophobicContact CD1-CE2 4.03Å; L499-F756 HydrophobicContact CD1-CG 3.6Å; L499-F756 HydrophobicContact CD1-CZ 4.17Å; L499-F756 HydrophobicContact CD2-CD2 3.71Å; L499-F756 HydrophobicContact CD2-CE2 4.14Å; L499-F756 HydrophobicContact CD2-CG 4.25Å; L499-F756 HydrophobicContact CG-CD2 4.3Å; L499-F756 HydrophobicContact CG-CE2 4.47Å; F704-F756 HydrophobicContact CB-CB 3.73Å; F704-F756 HydrophobicContact CB-CD1 4.1Å; F704-F756 HydrophobicContact CB-CG 4.38Å; F704-F756 HydrophobicContact CD1-CB 4.44Å; F704-F756 HydrophobicContact CG-CB 4.07Å; S706-F756 CarbonylContact O-C 3.6Å; R707-F756 HydrophobicContact CB-CD1 3.88Å; R707-F756 HydrophobicContact CB-CE1 4.01Å; R707-F756 HydrophobicContact CB-CG 4.47Å; F748-F756 CarbonylContact C-O 3.51Å; F748-F756 WeakPolarHBondContact CA-O 3.47Å; F748-F756 VanDerWaalsContact CB-O 3.25Å; F748-F756 WeakPolarHBondContact CB-O 3.4Å; K749-F756 PolarHBondContact N-O 3.21Å; K749-F756 PolarHBondContact O-N 3.43Å; K754-F756 HydrophobicContact CB-CD2 4.26Å; K754-F756 HydrophobicContact CB-CE2 3.77Å; K754-F756 HydrophobicContact CB-CZ 4.29Å; K754-F756 HydrophobicContact CD-CZ 4.43Å |
| 757 | F | 76.4 | Confident | 74.8 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.7 | -174.1 | -57.4 | -109.7 | 0 | 0 | 0 | 110.2 | F704 S706 F738 D747 F748 V755 K761 F762 F765 | F704-F757 CarbonylContact C-O 3.58Å; F704-F757 WeakPolarHBondContact CA-O 3.39Å; S706-F757 PolarHBondContact N-O 2.86Å; S706-F757 PolarHBondContact O-N 3.28Å; F738-F757 HydrophobicContact CE1-CD1 4.4Å; F738-F757 AromaticContact CE1-CE1 3.51Å; F738-F757 HydrophobicContact CE1-CE1 3.51Å; F738-F757 AromaticContact CE1-CZ 3.66Å; F738-F757 HydrophobicContact CE1-CZ 3.66Å; F738-F757 AromaticContact CZ-CE1 3.8Å; F738-F757 HydrophobicContact CZ-CE1 3.8Å; F738-F757 HydrophobicContact CZ-CE2 4.48Å; F738-F757 AromaticContact CZ-CZ 3.49Å; F738-F757 HydrophobicContact CZ-CZ 3.49Å; F738-F757 VanDerWaalsContact CZ-CZ 3.49Å; D747-F757 WeakPolarHBondContact O-CA 3.1Å; F748-F757 HydrophobicContact CB-CD1 4.13Å; F748-F757 HydrophobicContact CB-CG 4.43Å; V755-F757 HydrophobicContact CB-CE2 3.95Å; V755-F757 HydrophobicContact CB-CZ 4.46Å; V755-F757 HydrophobicContact CG1-CD2 4.13Å; V755-F757 HydrophobicContact CG1-CE2 3.7Å; V755-F757 HydrophobicContact CG1-CZ 3.96Å; F757-K761 HydrophobicContact CB-CB 4.38Å; F757-K761 HydrophobicContact CD1-CB 4.47Å; F757-F762 HydrophobicContact CB-CB 4.33Å; F757-F762 HydrophobicContact CD1-CB 4.19Å; F757-F762 HydrophobicContact CD2-CB 4.19Å; F757-F762 HydrophobicContact CD2-CD2 4.22Å; F757-F762 HydrophobicContact CE1-CB 4.41Å; F757-F762 HydrophobicContact CE1-CD2 4.13Å; F757-F762 HydrophobicContact CE2-CB 4.43Å; F757-F762 AromaticContact CE2-CD2 3.65Å; F757-F762 HydrophobicContact CE2-CD2 3.65Å; F757-F762 HydrophobicContact CE2-CE2 4.42Å; F757-F762 HydrophobicContact CE2-CG 4.43Å; F757-F762 HydrophobicContact CG-CB 4.05Å; F757-F762 AromaticContact CZ-CD2 3.56Å; F757-F762 HydrophobicContact CZ-CD2 3.56Å; F757-F762 HydrophobicContact CZ-CE2 4.33Å; F757-F765 HydrophobicContact CE1-CB 4.08Å; F757-F765 HydrophobicContact CE1-CD1 4.02Å; F757-F765 HydrophobicContact CE1-CG 4.03Å; F757-F765 AromaticContact CZ-CD1 3.98Å; F757-F765 HydrophobicContact CZ-CD1 3.98Å; F757-F765 HydrophobicContact CZ-CE1 4.32Å; F757-F765 HydrophobicContact CZ-CG 4.42Å |
| 758 | R | 74.6 | Confident | 74.6 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | trans | -66.3 | 163.7 | 166 | -76.5 | -166.2 | 171 | -80.9 | -11.1 | 111.4 | Q701 F704 K746 D747 K761 | Q701-R758 PolarHBondContact O-NH1 3.36Å; F704-R758 HydrophobicContact CD1-CG 4.07Å; F704-R758 HydrophobicContact CE1-CG 4.01Å; K746-R758 VanDerWaalsContact O-CD 3.31Å; K746-R758 WeakPolarHBondContact O-CD 3.49Å; K746-R758 PolarHBondContact O-NE 2.98Å; D747-R758 PolarHBondContact O-N 3Å; R758-K761 HydrophobicContact CB-CG 4.08Å; R758-K761 PolarHBondContact O-N 3.47Å | ||
| 759 | P | 62.6 | Low | 74 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 142.5 | 172.9 | -27 | 34.2 | 0 | 0 | 0 | 112.4 | C61 P705 K761 | C61-P759 HydrophobicContact CB-CB 3.84Å; C61-P759 HydrophobicContact CB-CG 3.58Å; C61-P759 WeakPolarHBondContact O-CB 3.34Å; P705-P759 HydrophobicContact CG-CG 3.88Å; P759-K761 PolarHBondContact O-N 3.45Å |
| 760 | G | 59.8 | Low | 73.2 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -35.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F762 A763 E764 | G760-F762 VanDerWaalsContact C-N 3.27Å; G760-F762 PolarHBondContact O-N 3.03Å; G760-F762 VanDerWaalsContact O-N 3.1Å; G760-A763 WeakPolarHBondContact O-CB 3.42Å; G760-A763 PolarHBondContact O-N 3.03Å; G760-E764 PolarHBondContact O-N 2.95Å; G760-E764 VanDerWaalsContact O-N 3.16Å |
| 761 | K | 70 | Confident | 72.2 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -21.8 | -168.5 | -61.9 | -49.9 | -169.7 | -170.2 | 0 | 115.6 | D747 F757 R758 P759 E764 F765 | D747-K761 HydrophobicContact CB-CG 4.05Å; F757-K761 HydrophobicContact CB-CB 4.38Å; F757-K761 HydrophobicContact CD1-CB 4.47Å; R758-K761 HydrophobicContact CB-CG 4.08Å; R758-K761 PolarHBondContact O-N 3.47Å; P759-K761 PolarHBondContact O-N 3.45Å; K761-E764 VanDerWaalsContact CD-CD 3.48Å; K761-E764 WeakPolarHBondContact CD-OE1 3.14Å; K761-E764 WeakPolarHBondContact CD-OE2 3.18Å; K761-E764 IonicContact NZ-OE1 3.79Å; K761-E764 PolarHBondContact NZ-OE1 3.33Å; K761-E764 IonicContact NZ-OE2 3.05Å; K761-E764 PolarHBondContact NZ-OE2 2.96Å; K761-F765 VanDerWaalsContact O-CB 3.32Å; K761-F765 WeakPolarHBondContact O-CB 3.3Å; K761-F765 PolarHBondContact O-N 3.03Å |
| 762 | F | 67.7 | Low | 71.2 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73 | -37.2 | 169.6 | 176.9 | -110.8 | 0 | 0 | 0 | 112.9 | A708 L713 F757 G760 F765 D766 | A708-F762 HydrophobicContact CB-CE2 4.34Å; L713-F762 HydrophobicContact CD2-CE2 4.08Å; F757-F762 HydrophobicContact CB-CB 4.33Å; F757-F762 HydrophobicContact CD1-CB 4.19Å; F757-F762 HydrophobicContact CD2-CB 4.19Å; F757-F762 HydrophobicContact CD2-CD2 4.22Å; F757-F762 HydrophobicContact CE1-CB 4.41Å; F757-F762 HydrophobicContact CE1-CD2 4.13Å; F757-F762 HydrophobicContact CE2-CB 4.43Å; F757-F762 AromaticContact CE2-CD2 3.65Å; F757-F762 HydrophobicContact CE2-CD2 3.65Å; F757-F762 HydrophobicContact CE2-CE2 4.42Å; F757-F762 HydrophobicContact CE2-CG 4.43Å; F757-F762 HydrophobicContact CG-CB 4.05Å; F757-F762 AromaticContact CZ-CD2 3.56Å; F757-F762 HydrophobicContact CZ-CD2 3.56Å; F757-F762 HydrophobicContact CZ-CE2 4.33Å; G760-F762 VanDerWaalsContact C-N 3.27Å; G760-F762 PolarHBondContact O-N 3.03Å; G760-F762 VanDerWaalsContact O-N 3.1Å; F762-F765 HydrophobicContact CD2-CD1 4.15Å; F762-F765 HydrophobicContact CE2-CD1 4.26Å; F762-F765 PolarHBondContact O-N 3.42Å; F762-D766 WeakPolarHBondContact O-CB 3.16Å; F762-D766 PolarHBondContact O-N 3.47Å |
| 763 | A | 61.7 | Low | 70.5 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.8 | -42 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | G760 F765 D766 Q767 | G760-A763 WeakPolarHBondContact O-CB 3.42Å; G760-A763 PolarHBondContact O-N 3.03Å; A763-F765 VanDerWaalsContact C-N 3.29Å; A763-F765 PolarHBondContact O-N 3.49Å; A763-D766 PolarHBondContact O-N 2.83Å; A763-Q767 WeakPolarHBondContact O-CB 3.44Å; A763-Q767 PolarHBondContact O-N 3.13Å |
| 764 | E | 66.8 | Low | 69.9 | Low | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.7 | -48.2 | 169.6 | -69 | 176.1 | -155.6 | 0 | 0 | 111 | G760 K761 Q767 I768 | G760-E764 PolarHBondContact O-N 2.95Å; G760-E764 VanDerWaalsContact O-N 3.16Å; K761-E764 VanDerWaalsContact CD-CD 3.48Å; K761-E764 WeakPolarHBondContact CD-OE1 3.14Å; K761-E764 WeakPolarHBondContact CD-OE2 3.18Å; K761-E764 IonicContact NZ-OE1 3.79Å; K761-E764 PolarHBondContact NZ-OE1 3.33Å; K761-E764 IonicContact NZ-OE2 3.05Å; K761-E764 PolarHBondContact NZ-OE2 2.96Å; E764-Q767 PolarHBondContact O-N 3.1Å; E764-I768 WeakPolarHBondContact O-CD1 3.48Å; E764-I768 VanDerWaalsContact O-CG1 3.24Å; E764-I768 WeakPolarHBondContact O-CG1 3.38Å; E764-I768 PolarHBondContact O-N 3.3Å |
| 765 | F | 72.1 | Confident | 69.3 | Low | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 178.2 | 166.4 | -99.7 | 0 | 0 | 0 | 112.7 | L713 Y717 L737 F738 L741 L743 F757 K761 F762 A763 Q767 I768 M769 | L713-F765 HydrophobicContact CD2-CE1 4.04Å; Y717-F765 HydrophobicContact CD2-CE1 4.43Å; Y717-F765 HydrophobicContact CD2-CZ 4.37Å; Y717-F765 AromaticContact CE2-CE1 3.53Å; Y717-F765 HydrophobicContact CE2-CE1 3.53Å; Y717-F765 AromaticContact CE2-CZ 3.89Å; Y717-F765 HydrophobicContact CE2-CZ 3.89Å; Y717-F765 AromaticContact CZ-CE1 3.86Å; L737-F765 HydrophobicContact CD2-CE2 4.06Å; L737-F765 HydrophobicContact CD2-CZ 3.92Å; L737-F765 HydrophobicContact CG-CE2 4.46Å; F738-F765 AromaticContact CD2-CE2 3.94Å; F738-F765 HydrophobicContact CD2-CE2 3.94Å; F738-F765 HydrophobicContact CD2-CZ 4.26Å; F738-F765 HydrophobicContact CE1-CD2 4.48Å; F738-F765 HydrophobicContact CE1-CE2 4.39Å; F738-F765 HydrophobicContact CE2-CD2 4.36Å; F738-F765 HydrophobicContact CE2-CE1 4.22Å; F738-F765 AromaticContact CE2-CE2 3.51Å; F738-F765 HydrophobicContact CE2-CE2 3.51Å; F738-F765 AromaticContact CE2-CZ 3.44Å; F738-F765 HydrophobicContact CE2-CZ 3.44Å; F738-F765 VanDerWaalsContact CE2-CZ 3.44Å; F738-F765 HydrophobicContact CZ-CD1 4.5Å; F738-F765 HydrophobicContact CZ-CD2 4.22Å; F738-F765 HydrophobicContact CZ-CE1 4.08Å; F738-F765 AromaticContact CZ-CE2 3.78Å; F738-F765 HydrophobicContact CZ-CE2 3.78Å; F738-F765 AromaticContact CZ-CZ 3.71Å; F738-F765 HydrophobicContact CZ-CZ 3.71Å; L741-F765 HydrophobicContact CD1-CD2 3.66Å; L741-F765 HydrophobicContact CD1-CE2 3.53Å; L743-F765 HydrophobicContact CD1-CD2 4.04Å; F757-F765 HydrophobicContact CE1-CB 4.08Å; F757-F765 HydrophobicContact CE1-CD1 4.02Å; F757-F765 HydrophobicContact CE1-CG 4.03Å; F757-F765 AromaticContact CZ-CD1 3.98Å; F757-F765 HydrophobicContact CZ-CD1 3.98Å; F757-F765 HydrophobicContact CZ-CE1 4.32Å; F757-F765 HydrophobicContact CZ-CG 4.42Å; K761-F765 VanDerWaalsContact O-CB 3.32Å; K761-F765 WeakPolarHBondContact O-CB 3.3Å; K761-F765 PolarHBondContact O-N 3.03Å; F762-F765 HydrophobicContact CD2-CD1 4.15Å; F762-F765 HydrophobicContact CE2-CD1 4.26Å; F762-F765 PolarHBondContact O-N 3.42Å; A763-F765 VanDerWaalsContact C-N 3.29Å; A763-F765 PolarHBondContact O-N 3.49Å; F765-Q767 VanDerWaalsContact C-N 3.32Å; F765-Q767 PolarHBondContact O-N 3.39Å; F765-I768 PolarHBondContact O-N 3.07Å; F765-M769 HydrophobicContact CD2-CG 4.12Å; F765-M769 HydrophobicContact CE1-CG 4.22Å; F765-M769 HydrophobicContact CE2-CG 3.74Å; F765-M769 HydrophobicContact CE2-SD 4.15Å; F765-M769 HydrophobicContact CZ-CG 3.79Å; F765-M769 HydrophobicContact CZ-SD 4.38Å; F765-M769 WeakPolarHBondContact O-CB 3.4Å; F765-M769 WeakPolarHBondContact O-CG 3.19Å; F765-M769 PolarHBondContact O-N 2.73Å |
| 766 | D | 68.8 | Low | 68.5 | Low | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 177.8 | -179.3 | 48.9 | 0 | 0 | 0 | 112 | Y717 F762 A763 M769 K770 | Y717-D766 PolarHBondContact OH-OD1 3.18Å; F762-D766 WeakPolarHBondContact O-CB 3.16Å; F762-D766 PolarHBondContact O-N 3.47Å; A763-D766 PolarHBondContact O-N 2.83Å; D766-M769 PolarHBondContact O-N 2.77Å; D766-K770 WeakPolarHBondContact O-CB 3.23Å; D766-K770 WeakPolarHBondContact O-CD 3.31Å; D766-K770 WeakPolarHBondContact O-CG 3.2Å; D766-K770 PolarHBondContact O-N 3.29Å; D766-K770 VanDerWaalsContact O-N 3.11Å; D766-K770 WeakPolarHBondContact OD1-CE 3.5Å; D766-K770 IonicContact OD1-NZ 3.66Å; D766-K770 PolarHBondContact OD1-NZ 3.41Å; D766-K770 IonicContact OD2-NZ 2.69Å; D766-K770 PolarHBondContact OD2-NZ 3.48Å |
| 767 | Q | 70.4 | Confident | 67.9 | Low | 148 Ų | 148 | 59 Ų | 59 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67 | -45.8 | 174.5 | -172.7 | 177.1 | 4.1 | 0 | 0 | 112.2 | A763 E764 F765 M769 K770 S771 | A763-Q767 WeakPolarHBondContact O-CB 3.44Å; A763-Q767 PolarHBondContact O-N 3.13Å; E764-Q767 PolarHBondContact O-N 3.1Å; F765-Q767 VanDerWaalsContact C-N 3.32Å; F765-Q767 PolarHBondContact O-N 3.39Å; Q767-M769 VanDerWaalsContact C-N 3.28Å; Q767-M769 PolarHBondContact O-N 2.75Å; Q767-K770 CarbonylContact O-C 3.58Å; Q767-K770 PolarHBondContact O-N 2.92Å; Q767-K770 VanDerWaalsContact O-N 3.15Å; Q767-S771 PolarHBondContact O-N 3.33Å; Q767-S771 VanDerWaalsContact O-N 3.1Å |
| 768 | I | 70.8 | Confident | 67.7 | Low | 65 Ų | 65 | 63.8 Ų | 63.8 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 175 | -64.1 | 159.5 | 0 | 0 | 0 | 110.4 | L741 E764 F765 K770 S771 | L741-I768 HydrophobicContact CD2-CG2 3.56Å; E764-I768 WeakPolarHBondContact O-CD1 3.48Å; E764-I768 VanDerWaalsContact O-CG1 3.24Å; E764-I768 WeakPolarHBondContact O-CG1 3.38Å; E764-I768 PolarHBondContact O-N 3.3Å; F765-I768 PolarHBondContact O-N 3.07Å; I768-K770 PolarHBondContact O-N 2.89Å; I768-S771 WeakPolarHBondContact O-CB 3.49Å; I768-S771 PolarHBondContact O-N 2.88Å; I768-S771 VanDerWaalsContact O-N 3.1Å; I768-S771 PolarHBondContact O-OG 3.37Å |
| 769 | M | 69.7 | Low | 67.4 | Low | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.4 | -17.1 | 177.7 | -74.3 | -60.4 | -59.5 | 0 | 0 | 114.4 | Y717 M721 L737 L741 F765 D766 Q767 | Y717-M769 HydrophobicContact CD1-CB 3.81Å; Y717-M769 HydrophobicContact CD1-CE 3.66Å; Y717-M769 HydrophobicContact CD1-CG 4.26Å; Y717-M769 HydrophobicContact CD2-CE 4.11Å; Y717-M769 HydrophobicContact CE1-CB 3.49Å; Y717-M769 VanDerWaalsContact CE1-CB 3.49Å; Y717-M769 HydrophobicContact CE1-CE 4.37Å; Y717-M769 HydrophobicContact CE1-CG 4.04Å; Y717-M769 HydrophobicContact CG-CE 3.5Å; Y717-M769 VanDerWaalsContact CG-CE 3.5Å; M721-M769 HydrophobicContact CE-CE 3.45Å; M721-M769 VanDerWaalsContact CE-CE 3.45Å; M721-M769 HydrophobicContact CE-SD 4.3Å; L737-M769 HydrophobicContact CD1-CE 4.02Å; L737-M769 HydrophobicContact CD1-SD 3.76Å; L737-M769 HydrophobicContact CD2-CE 3.77Å; L737-M769 HydrophobicContact CD2-SD 3.83Å; L737-M769 HydrophobicContact CG-CE 4.46Å; L737-M769 HydrophobicContact CG-SD 4.11Å; L741-M769 HydrophobicContact CD1-SD 4.32Å; F765-M769 HydrophobicContact CD2-CG 4.12Å; F765-M769 HydrophobicContact CE1-CG 4.22Å; F765-M769 HydrophobicContact CE2-CG 3.74Å; F765-M769 HydrophobicContact CE2-SD 4.15Å; F765-M769 HydrophobicContact CZ-CG 3.79Å; F765-M769 HydrophobicContact CZ-SD 4.38Å; F765-M769 WeakPolarHBondContact O-CB 3.4Å; F765-M769 WeakPolarHBondContact O-CG 3.19Å; F765-M769 PolarHBondContact O-N 2.73Å; D766-M769 PolarHBondContact O-N 2.77Å; Q767-M769 VanDerWaalsContact C-N 3.28Å; Q767-M769 PolarHBondContact O-N 2.75Å |
| 770 | K | 67.6 | Low | 67.8 | Low | 119 Ų | 119 | 60.4 Ų | 60.4 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 5.3 | 173.3 | -69.2 | 166.5 | 179.4 | 164.2 | 0 | 113.1 | D766 Q767 I768 | D766-K770 WeakPolarHBondContact O-CB 3.23Å; D766-K770 WeakPolarHBondContact O-CD 3.31Å; D766-K770 WeakPolarHBondContact O-CG 3.2Å; D766-K770 PolarHBondContact O-N 3.29Å; D766-K770 VanDerWaalsContact O-N 3.11Å; D766-K770 WeakPolarHBondContact OD1-CE 3.5Å; D766-K770 IonicContact OD1-NZ 3.66Å; D766-K770 PolarHBondContact OD1-NZ 3.41Å; D766-K770 IonicContact OD2-NZ 2.69Å; D766-K770 PolarHBondContact OD2-NZ 3.48Å; Q767-K770 CarbonylContact O-C 3.58Å; Q767-K770 PolarHBondContact O-N 2.92Å; Q767-K770 VanDerWaalsContact O-N 3.15Å; I768-K770 PolarHBondContact O-N 2.89Å |
| 771 | S | 66.4 | Low | 68.5 | Low | 50 Ų | 50 | 66.1 Ų | 66.1 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -81.5 | 179.6 | 178.8 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | Q767 I768 | Q767-S771 PolarHBondContact O-N 3.33Å; Q767-S771 VanDerWaalsContact O-N 3.1Å; I768-S771 WeakPolarHBondContact O-CB 3.49Å; I768-S771 PolarHBondContact O-N 2.88Å; I768-S771 VanDerWaalsContact O-N 3.1Å; I768-S771 PolarHBondContact O-OG 3.37Å |
| 772 | D | 63.3 | Low | 68.6 | Low | 119 Ų | 119 | 68.4 Ų | 68.4 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | trans | -58.6 | 136.5 | -161.2 | -147.6 | 11.8 | 0 | 0 | 0 | 113.8 | A774 H775 L776 | D772-A774 PolarHBondContact O-N 3.18Å; D772-H775 WeakPolarHBondContact O-CB 3.29Å; D772-H775 PolarHBondContact O-N 3.29Å; D772-L776 PolarHBondContact O-N 2.71Å | ||
| 773 | P | 66.3 | Low | 68.8 | Low | 100 Ų | 100 | 66.2 Ų | 66.2 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -57 | -26.1 | -173.5 | -28.4 | 37 | 0 | 0 | 0 | 115.1 | L776 A777 | P773-L776 WeakPolarHBondContact O-CB 3.39Å; P773-L776 PolarHBondContact O-N 3Å; P773-A777 PolarHBondContact O-N 3Å |
| 774 | A | 65.6 | Low | 69.4 | Low | 74 Ų | 74 | 67.6 Ų | 67.6 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D772 A777 E778 | D772-A774 PolarHBondContact O-N 3.18Å; A774-A777 WeakPolarHBondContact O-CB 3.25Å; A774-A777 PolarHBondContact O-N 2.89Å; A774-E778 PolarHBondContact O-N 3.24Å |
| 775 | H | 68.3 | Low | 70 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 177.3 | -153.6 | 118.4 | 0 | 0 | 0 | 110.5 | D772 A777 E778 L779 | D772-H775 WeakPolarHBondContact O-CB 3.29Å; D772-H775 PolarHBondContact O-N 3.29Å; H775-A777 VanDerWaalsContact C-N 3.31Å; H775-A777 PolarHBondContact O-N 3.48Å; H775-E778 PolarHBondContact O-N 2.84Å; H775-L779 PolarHBondContact O-N 2.88Å; H775-L779 VanDerWaalsContact O-N 3.13Å |
| 776 | L | 67.4 | Low | 70.3 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 173.1 | -138.4 | 88.7 | 0 | 0 | 0 | 111.6 | Y720 M721 D772 P773 E778 L779 L780 | Y720-L776 WeakPolarHBondContact O-CD2 3.22Å; M721-L776 HydrophobicContact CE-CD1 4.21Å; M721-L776 HydrophobicContact CE-CD2 4Å; M721-L776 HydrophobicContact CE-CG 4.14Å; M721-L776 HydrophobicContact SD-CD2 4.47Å; D772-L776 PolarHBondContact O-N 2.71Å; P773-L776 WeakPolarHBondContact O-CB 3.39Å; P773-L776 PolarHBondContact O-N 3Å; L776-E778 PolarHBondContact O-N 3.48Å; L776-L779 VanDerWaalsContact O-CB 3.26Å; L776-L779 WeakPolarHBondContact O-CB 3.35Å; L776-L779 PolarHBondContact O-N 3.06Å; L776-L780 WeakPolarHBondContact O-CD1 3.46Å; L776-L780 WeakPolarHBondContact O-CG 3.46Å; L776-L780 PolarHBondContact O-N 3.38Å |
| 777 | A | 68.9 | Low | 70.6 | Confident | 48 Ų | 48 | 75.1 Ų | 75.1 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | P773 A774 H775 | P773-A777 PolarHBondContact O-N 3Å; A774-A777 WeakPolarHBondContact O-CB 3.25Å; A774-A777 PolarHBondContact O-N 2.89Å; H775-A777 VanDerWaalsContact C-N 3.31Å; H775-A777 PolarHBondContact O-N 3.48Å |
| 778 | E | 72.7 | Confident | 71.1 | Confident | 101 Ų | 101 | 74.1 Ų | 74.1 | 47% | 0.472 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.7 | -43.3 | 172.2 | -160.9 | -161 | 124.5 | 0 | 0 | 111.6 | A774 H775 L776 L780 K781 K782 | A774-E778 PolarHBondContact O-N 3.24Å; H775-E778 PolarHBondContact O-N 2.84Å; L776-E778 PolarHBondContact O-N 3.48Å; E778-L780 PolarHBondContact O-N 3.31Å; E778-K781 WeakPolarHBondContact O-CB 3.45Å; E778-K781 PolarHBondContact O-N 2.95Å; E778-K782 PolarHBondContact O-N 3.09Å; E778-K782 WeakPolarHBondContact OE1-CE 2.87Å; E778-K782 IonicContact OE1-NZ 3.79Å; E778-K782 PolarHBondContact OE1-NZ 3.49Å |
| 779 | L | 68.8 | Low | 71.6 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -51.7 | -45.8 | 175.5 | -158.4 | 88.4 | 0 | 0 | 0 | 111.4 | L737 A740 L741 H775 L776 K781 K782 V783 | L737-L779 HydrophobicContact CD1-CD2 3.77Å; A740-L779 HydrophobicContact CB-CD1 4.39Å; A740-L779 HydrophobicContact CB-CG 4.05Å; A740-L779 WeakPolarHBondContact O-CD1 3.33Å; L741-L779 HydrophobicContact CB-CD1 4.37Å; L741-L779 HydrophobicContact CD2-CD1 3.57Å; L741-L779 HydrophobicContact CD2-CD2 4.04Å; L741-L779 HydrophobicContact CD2-CG 4.46Å; L741-L779 HydrophobicContact CG-CD1 3.81Å; L741-L779 HydrophobicContact CG-CD2 4.05Å; H775-L779 PolarHBondContact O-N 2.88Å; H775-L779 VanDerWaalsContact O-N 3.13Å; L776-L779 VanDerWaalsContact O-CB 3.26Å; L776-L779 WeakPolarHBondContact O-CB 3.35Å; L776-L779 PolarHBondContact O-N 3.06Å; L779-K781 VanDerWaalsContact C-N 3.27Å; L779-K781 PolarHBondContact O-N 2.7Å; L779-K782 WeakPolarHBondContact O-CA 2.93Å; L779-K782 WeakPolarHBondContact O-CB 3.4Å; L779-K782 PolarHBondContact O-N 2.92Å; L779-V783 WeakPolarHBondContact O-CG2 3.38Å; L779-V783 PolarHBondContact O-N 3Å |
| 780 | L | 70.2 | Confident | 71.8 | Confident | 23 Ų | 23 | 76.1 Ų | 76.1 | 12% | 0.12 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.7 | -31.4 | 179.5 | -71.4 | 164.2 | 0 | 0 | 0 | 113 | M721 P722 L725 L776 E778 N784 | M721-L780 HydrophobicContact SD-CD2 3.84Å; P722-L780 HydrophobicContact CG-CD1 3.59Å; P722-L780 HydrophobicContact CG-CD2 3.91Å; P722-L780 HydrophobicContact CG-CG 4.38Å; L725-L780 HydrophobicContact CD1-CD2 3.23Å; L776-L780 WeakPolarHBondContact O-CD1 3.46Å; L776-L780 WeakPolarHBondContact O-CG 3.46Å; L776-L780 PolarHBondContact O-N 3.38Å; E778-L780 PolarHBondContact O-N 3.31Å; L780-N784 PolarHBondContact O-N 2.71Å; L780-N784 VanDerWaalsContact O-N 3.07Å; L780-N784 PolarHBondContact O-ND2 3.25Å |
| 781 | K | 74.5 | Confident | 72.4 | Confident | 157 Ų | 157 | 77.6 Ų | 77.6 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.2 | -44.2 | 172.7 | -62.3 | 172.6 | -174.3 | 173.1 | 0 | 110.7 | E778 L779 N784 K785 | E778-K781 WeakPolarHBondContact O-CB 3.45Å; E778-K781 PolarHBondContact O-N 2.95Å; L779-K781 VanDerWaalsContact C-N 3.27Å; L779-K781 PolarHBondContact O-N 2.7Å; K781-N784 PolarHBondContact O-N 3.36Å; K781-K785 PolarHBondContact O-N 3.21Å |
| 782 | K | 72.8 | Confident | 73.3 | Confident | 104 Ų | 104 | 83 Ų | 83 | 45% | 0.452 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.3 | -60.8 | 171.1 | -173.9 | 165.6 | 0 | 111.1 | A740 E778 L779 N784 K785 W786 | A740-K782 HydrophobicContact CB-CB 3.99Å; E778-K782 PolarHBondContact O-N 3.09Å; E778-K782 WeakPolarHBondContact OE1-CE 2.87Å; E778-K782 IonicContact OE1-NZ 3.79Å; E778-K782 PolarHBondContact OE1-NZ 3.49Å; L779-K782 WeakPolarHBondContact O-CA 2.93Å; L779-K782 WeakPolarHBondContact O-CB 3.4Å; L779-K782 PolarHBondContact O-N 2.92Å; K782-N784 PolarHBondContact O-N 3.4Å; K782-K785 PolarHBondContact O-N 3.2Å; K782-W786 PolarHBondContact O-N 2.95Å |
| 783 | V | 72.3 | Confident | 74.3 | Confident | 1 Ų | 1 | 83.4 Ų | 83.4 | 1% | 0.006 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.9 | -50.5 | 175.2 | 178 | 0 | 0 | 0 | 0 | 111.8 | L725 A736 A740 L779 K785 W786 L787 | L725-V783 HydrophobicContact CD1-CB 4.3Å; L725-V783 HydrophobicContact CD1-CG1 3.78Å; L725-V783 HydrophobicContact CD2-CG1 4.03Å; L725-V783 HydrophobicContact CG-CG1 4.16Å; A736-V783 HydrophobicContact CB-CG1 3.88Å; A740-V783 HydrophobicContact CB-CB 4.2Å; A740-V783 HydrophobicContact CB-CG2 3.24Å; L779-V783 WeakPolarHBondContact O-CG2 3.38Å; L779-V783 PolarHBondContact O-N 3Å; V783-K785 PolarHBondContact O-N 3.46Å; V783-W786 PolarHBondContact O-N 3.43Å; V783-L787 HydrophobicContact CG1-CD1 3.61Å; V783-L787 HydrophobicContact CG1-CG 4.01Å; V783-L787 WeakPolarHBondContact O-CG 3.48Å; V783-L787 PolarHBondContact O-N 3.45Å |
| 784 | N | 74.8 | Confident | 75 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | -175.1 | -83.1 | -70.5 | 0 | 0 | 0 | 112.6 | L780 K781 K782 W786 L787 L788 | L780-N784 PolarHBondContact O-N 2.71Å; L780-N784 VanDerWaalsContact O-N 3.07Å; L780-N784 PolarHBondContact O-ND2 3.25Å; K781-N784 PolarHBondContact O-N 3.36Å; K782-N784 PolarHBondContact O-N 3.4Å; N784-W786 PolarHBondContact O-N 3.02Å; N784-L787 PolarHBondContact O-N 3.46Å; N784-L788 PolarHBondContact O-N 2.69Å; N784-L788 VanDerWaalsContact O-N 3.08Å |
| 785 | K | 79.6 | Confident | 76 | Confident | 160 Ų | 160 | 85.9 Ų | 85.9 | 70% | 0.696 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.6 | -46.4 | 174.3 | -172.6 | 176.9 | -178.1 | 178.2 | 0 | 111.3 | K781 K782 V783 C789 | K781-K785 PolarHBondContact O-N 3.21Å; K782-K785 PolarHBondContact O-N 3.2Å; V783-K785 PolarHBondContact O-N 3.46Å; K785-C789 PolarHBondContact O-N 2.85Å; K785-C789 PolarHBondContact O-SG 2.92Å; K785-C789 VanDerWaalsContact O-SG 3.39Å |
| 786 | W | 78 | Confident | 77 | Confident | 82 Ų | 82 | 85.3 Ų | 85.3 | 31% | 0.311 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.9 | -176.3 | 88.5 | 0 | 0 | 0 | 112.8 | A736 K739 K782 V783 N784 L788 C789 S790 | A736-W786 HydrophobicContact CB-CE3 3.88Å; A736-W786 HydrophobicContact CB-CZ3 3.77Å; K739-W786 HydrophobicContact CD-CZ2 4.35Å; K782-W786 PolarHBondContact O-N 2.95Å; V783-W786 PolarHBondContact O-N 3.43Å; N784-W786 PolarHBondContact O-N 3.02Å; W786-L788 PolarHBondContact O-N 3.21Å; W786-C789 PolarHBondContact O-N 2.87Å; W786-S790 VanDerWaalsContact O-CB 3.29Å; W786-S790 WeakPolarHBondContact O-CB 3.05Å; W786-S790 PolarHBondContact O-N 3.37Å |
| 787 | L | 74.9 | Confident | 77.9 | Confident | 14 Ų | 14 | 92 Ų | 92 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.7 | -75.5 | 172.9 | 0 | 0 | 0 | 112.5 | L728 A736 V783 N784 S790 R791 | L728-L787 HydrophobicContact CD1-CD1 3.91Å; L728-L787 HydrophobicContact CD1-CD2 3.65Å; L728-L787 HydrophobicContact CD1-CG 4.45Å; L728-L787 HydrophobicContact CD2-CD2 4.44Å; A736-L787 HydrophobicContact CB-CD2 3.83Å; A736-L787 HydrophobicContact CB-CG 4.2Å; V783-L787 HydrophobicContact CG1-CD1 3.61Å; V783-L787 HydrophobicContact CG1-CG 4.01Å; V783-L787 WeakPolarHBondContact O-CG 3.48Å; V783-L787 PolarHBondContact O-N 3.45Å; N784-L787 PolarHBondContact O-N 3.46Å; L787-S790 PolarHBondContact O-N 2.72Å; L787-R791 WeakPolarHBondContact O-CB 3.33Å; L787-R791 VanDerWaalsContact O-CG 3.26Å; L787-R791 WeakPolarHBondContact O-CG 3.3Å; L787-R791 PolarHBondContact O-N 2.92Å |
| 788 | L | 80.1 | Confident | 78.7 | Confident | 127 Ų | 127 | 93 Ų | 93 | 67% | 0.665 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.6 | -53.4 | 174.3 | -83.8 | 159.6 | 0 | 0 | 0 | 111.2 | N784 W786 S790 R791 W792 | N784-L788 PolarHBondContact O-N 2.69Å; N784-L788 VanDerWaalsContact O-N 3.08Å; W786-L788 PolarHBondContact O-N 3.21Å; L788-S790 VanDerWaalsContact C-N 3.31Å; L788-S790 PolarHBondContact O-N 2.96Å; L788-R791 PolarHBondContact O-N 2.94Å; L788-W792 WeakPolarHBondContact O-CB 3.42Å; L788-W792 PolarHBondContact O-N 3.38Å |
| 789 | C | 80.8 | Confident | 79.5 | Confident | 69 Ų | 69 | 91.6 Ų | 91.6 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | 178.3 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | K785 W786 K793 | K785-C789 PolarHBondContact O-N 2.85Å; K785-C789 PolarHBondContact O-SG 2.92Å; K785-C789 VanDerWaalsContact O-SG 3.39Å; W786-C789 PolarHBondContact O-N 2.87Å; C789-K793 WeakPolarHBondContact O-CB 3.37Å; C789-K793 WeakPolarHBondContact O-CG 3.34Å; C789-K793 PolarHBondContact O-N 2.95Å |
| 790 | S | 74.9 | Confident | 80.6 | Confident | 40 Ų | 40 | 94.2 Ų | 94.2 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 179.5 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | W786 L787 L788 K794 | W786-S790 VanDerWaalsContact O-CB 3.29Å; W786-S790 WeakPolarHBondContact O-CB 3.05Å; W786-S790 PolarHBondContact O-N 3.37Å; L787-S790 PolarHBondContact O-N 2.72Å; L788-S790 VanDerWaalsContact C-N 3.31Å; L788-S790 PolarHBondContact O-N 2.96Å; S790-K794 PolarHBondContact O-N 3.23Å |
| 791 | R | 79.9 | Confident | 81.3 | Confident | 150 Ų | 150 | 96.5 Ų | 96.5 | 57% | 0.566 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 173.9 | -74.5 | 174.5 | 178.6 | -171.2 | 1 | 111.5 | L787 L788 K794 V795 | L787-R791 WeakPolarHBondContact O-CB 3.33Å; L787-R791 VanDerWaalsContact O-CG 3.26Å; L787-R791 WeakPolarHBondContact O-CG 3.3Å; L787-R791 PolarHBondContact O-N 2.92Å; L788-R791 PolarHBondContact O-N 2.94Å; R791-K794 WeakPolarHBondContact O-CB 3.11Å; R791-K794 PolarHBondContact O-N 3.13Å; R791-V795 PolarHBondContact O-N 3.26Å; R791-V795 VanDerWaalsContact O-N 3.15Å |
| 792 | W | 85.6 | Confident | 82.1 | Confident | 164 Ų | 164 | 93.9 Ų | 93.9 | 62% | 0.621 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.3 | -49.7 | 176.9 | -174.6 | -115.3 | 0 | 0 | 0 | 112.1 | L788 K794 V795 Q796 | L788-W792 WeakPolarHBondContact O-CB 3.42Å; L788-W792 PolarHBondContact O-N 3.38Å; W792-K794 VanDerWaalsContact C-N 3.28Å; W792-K794 PolarHBondContact O-N 3.31Å; W792-V795 PolarHBondContact O-N 3Å; W792-V795 VanDerWaalsContact O-N 3.13Å; W792-Q796 WeakPolarHBondContact O-CG 3.33Å; W792-Q796 PolarHBondContact O-N 2.96Å |
| 793 | K | 84 | Confident | 83 | Confident | 127 Ų | 127 | 93.3 Ų | 93.3 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.8 | -39.9 | 174.7 | -74.2 | -179 | 179.7 | -174.1 | 0 | 112.1 | C789 V795 Q796 W797 | C789-K793 WeakPolarHBondContact O-CB 3.37Å; C789-K793 WeakPolarHBondContact O-CG 3.34Å; C789-K793 PolarHBondContact O-N 2.95Å; K793-V795 PolarHBondContact O-N 3.4Å; K793-Q796 PolarHBondContact O-N 3.42Å; K793-W797 PolarHBondContact O-N 2.63Å |
| 794 | K | 80.8 | Confident | 83.8 | Confident | 147 Ų | 147 | 99.4 Ų | 99.4 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | 176 | -171.9 | -175.7 | 178.2 | -173.6 | 0 | 111.9 | S790 R791 W792 W797 C798 | S790-K794 PolarHBondContact O-N 3.23Å; R791-K794 WeakPolarHBondContact O-CB 3.11Å; R791-K794 PolarHBondContact O-N 3.13Å; W792-K794 VanDerWaalsContact C-N 3.28Å; W792-K794 PolarHBondContact O-N 3.31Å; K794-W797 PolarHBondContact O-N 3.32Å; K794-C798 PolarHBondContact O-N 3.41Å; K794-C798 PolarHBondContact O-SG 3.32Å; K794-C798 VanDerWaalsContact O-SG 3.34Å |
| 795 | V | 86.5 | Confident | 84.5 | Confident | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 177.6 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | R791 W792 K793 W797 C798 C799 | R791-V795 PolarHBondContact O-N 3.26Å; R791-V795 VanDerWaalsContact O-N 3.15Å; W792-V795 PolarHBondContact O-N 3Å; W792-V795 VanDerWaalsContact O-N 3.13Å; K793-V795 PolarHBondContact O-N 3.4Å; V795-W797 PolarHBondContact O-N 3.06Å; V795-C798 PolarHBondContact O-N 3.42Å; V795-C798 VanDerWaalsContact O-N 3.16Å; V795-C799 PolarHBondContact O-N 3.32Å; V795-C799 PolarHBondContact O-SG 3.37Å; V795-C799 VanDerWaalsContact O-SG 3.36Å |
| 796 | Q | 88.7 | Confident | 85.1 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.6 | -46.5 | 177.1 | -67.3 | 178.5 | -49.1 | 0 | 0 | 112.2 | W792 K793 C799 L800 | W792-Q796 WeakPolarHBondContact O-CG 3.33Å; W792-Q796 PolarHBondContact O-N 2.96Å; K793-Q796 PolarHBondContact O-N 3.42Å; Q796-C799 PolarHBondContact O-N 3.03Å; Q796-L800 WeakPolarHBondContact O-CB 3.43Å; Q796-L800 PolarHBondContact O-N 3.08Å |
| 797 | W | 86.8 | Confident | 85.7 | Confident | 164 Ų | 164 | 103 Ų | 103 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.9 | -35.3 | 177.6 | -74.6 | 118.4 | 0 | 0 | 0 | 113.5 | K793 K794 V795 L800 S801 | K793-W797 PolarHBondContact O-N 2.63Å; K794-W797 PolarHBondContact O-N 3.32Å; V795-W797 PolarHBondContact O-N 3.06Å; W797-L800 HydrophobicContact CE3-CD2 3.64Å; W797-L800 HydrophobicContact CZ3-CD2 3.48Å; W797-L800 VanDerWaalsContact CZ3-CD2 3.48Å; W797-S801 WeakPolarHBondContact O-CB 3.18Å; W797-S801 PolarHBondContact O-N 3.08Å; W797-S801 PolarHBondContact O-OG 3.35Å |
| 798 | C | 85.9 | Confident | 86.4 | Confident | 68 Ų | 68 | 108 Ų | 108 | 46% | 0.459 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -49.6 | 173.4 | -73.1 | 0 | 0 | 0 | 0 | 111.4 | K794 V795 L800 S801 V802 | K794-C798 PolarHBondContact O-N 3.41Å; K794-C798 PolarHBondContact O-SG 3.32Å; K794-C798 VanDerWaalsContact O-SG 3.34Å; V795-C798 PolarHBondContact O-N 3.42Å; V795-C798 VanDerWaalsContact O-N 3.16Å; C798-L800 PolarHBondContact O-N 3.19Å; C798-S801 WeakPolarHBondContact O-CB 3.37Å; C798-S801 PolarHBondContact O-N 3.22Å; C798-S801 VanDerWaalsContact O-N 3.13Å; C798-V802 PolarHBondContact O-N 2.83Å; C798-V802 VanDerWaalsContact O-N 3.08Å |
| 799 | C | 89.9 | Confident | 86.8 | Confident | 71 Ų | 71 | 107.9 Ų | 107.9 | 48% | 0.48 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 176.4 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | V795 Q796 S801 V802 I803 | V795-C799 PolarHBondContact O-N 3.32Å; V795-C799 PolarHBondContact O-SG 3.37Å; V795-C799 VanDerWaalsContact O-SG 3.36Å; Q796-C799 PolarHBondContact O-N 3.03Å; C799-S801 VanDerWaalsContact C-N 3.25Å; C799-S801 PolarHBondContact O-N 3.33Å; C799-V802 PolarHBondContact O-N 3.07Å; C799-I803 WeakPolarHBondContact O-CG1 3.19Å; C799-I803 PolarHBondContact O-N 3.3Å |
| 800 | L | 91.4 | Very high | 87.2 | Confident | 66 Ų | 66 | 110.9 Ų | 110.9 | 35% | 0.346 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59 | -36.8 | 176.1 | -166.4 | 81.1 | 0 | 0 | 0 | 112.1 | Q796 W797 C798 K804 | Q796-L800 WeakPolarHBondContact O-CB 3.43Å; Q796-L800 PolarHBondContact O-N 3.08Å; W797-L800 HydrophobicContact CE3-CD2 3.64Å; W797-L800 HydrophobicContact CZ3-CD2 3.48Å; W797-L800 VanDerWaalsContact CZ3-CD2 3.48Å; C798-L800 PolarHBondContact O-N 3.19Å; L800-K804 HydrophobicContact CD2-CD 4.46Å; L800-K804 HydrophobicContact CG-CD 4.32Å; L800-K804 WeakPolarHBondContact O-CB 3.35Å; L800-K804 VanDerWaalsContact O-CG 3.31Å; L800-K804 WeakPolarHBondContact O-CG 3.41Å; L800-K804 PolarHBondContact O-N 3.36Å |
| 801 | S | 85.6 | Confident | 87.9 | Confident | 70 Ų | 70 | 117.1 Ų | 117.1 | 49% | 0.49 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 179.1 | -61 | 0 | 0 | 0 | 0 | 112.2 | W797 C798 C799 K804 L805 | W797-S801 WeakPolarHBondContact O-CB 3.18Å; W797-S801 PolarHBondContact O-N 3.08Å; W797-S801 PolarHBondContact O-OG 3.35Å; C798-S801 WeakPolarHBondContact O-CB 3.37Å; C798-S801 PolarHBondContact O-N 3.22Å; C798-S801 VanDerWaalsContact O-N 3.13Å; C799-S801 VanDerWaalsContact C-N 3.25Å; C799-S801 PolarHBondContact O-N 3.33Å; S801-K804 PolarHBondContact O-N 3.11Å; S801-L805 WeakPolarHBondContact O-CB 3.03Å; S801-L805 PolarHBondContact O-N 2.81Å |
| 802 | V | 91.4 | Very high | 88.3 | Confident | 102 Ų | 102 | 117.8 Ų | 117.8 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -43.5 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 111 | C798 C799 L805 R806 | C798-V802 PolarHBondContact O-N 2.83Å; C798-V802 VanDerWaalsContact O-N 3.08Å; C799-V802 PolarHBondContact O-N 3.07Å; V802-L805 PolarHBondContact O-N 3.11Å; V802-R806 PolarHBondContact O-N 3.22Å |
| 803 | I | 90.8 | Very high | 88.5 | Confident | 93 Ų | 93 | 112.4 Ų | 112.4 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.8 | -66.2 | 164.2 | 0 | 0 | 0 | 110.8 | C799 L805 R806 N807 | C799-I803 WeakPolarHBondContact O-CG1 3.19Å; C799-I803 PolarHBondContact O-N 3.3Å; I803-L805 VanDerWaalsContact C-N 3.29Å; I803-L805 PolarHBondContact O-N 3.37Å; I803-R806 PolarHBondContact O-N 3.19Å; I803-N807 VanDerWaalsContact O-CG 3.29Å; I803-N807 PolarHBondContact O-N 3.47Å; I803-N807 PolarHBondContact O-OD1 3.14Å |
| 804 | K | 89.8 | Confident | 88.8 | Confident | 129 Ų | 129 | 109.1 Ų | 109.1 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -35.9 | 175.1 | -76.5 | 177.1 | 176.9 | -178 | 0 | 112.2 | L800 S801 K808 | L800-K804 HydrophobicContact CD2-CD 4.46Å; L800-K804 HydrophobicContact CG-CD 4.32Å; L800-K804 WeakPolarHBondContact O-CB 3.35Å; L800-K804 VanDerWaalsContact O-CG 3.31Å; L800-K804 WeakPolarHBondContact O-CG 3.41Å; L800-K804 PolarHBondContact O-N 3.36Å; S801-K804 PolarHBondContact O-N 3.11Å; K804-K808 VanDerWaalsContact O-CB 3.24Å; K804-K808 WeakPolarHBondContact O-CB 3.44Å; K804-K808 PolarHBondContact O-N 3.16Å |
| 805 | L | 89.3 | Confident | 89.1 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.7 | -47.7 | 176 | -175.4 | 60.4 | 0 | 0 | 0 | 112.1 | S801 V802 I803 N807 K808 M809 | S801-L805 WeakPolarHBondContact O-CB 3.03Å; S801-L805 PolarHBondContact O-N 2.81Å; V802-L805 PolarHBondContact O-N 3.11Å; I803-L805 VanDerWaalsContact C-N 3.29Å; I803-L805 PolarHBondContact O-N 3.37Å; L805-N807 VanDerWaalsContact C-N 3.33Å; L805-N807 PolarHBondContact O-N 2.98Å; L805-K808 WeakPolarHBondContact O-CB 3.4Å; L805-K808 PolarHBondContact O-N 3.35Å; L805-K808 VanDerWaalsContact O-N 3.16Å; L805-M809 HydrophobicContact CG-SD 4.34Å; L805-M809 WeakPolarHBondContact O-CG 3.3Å; L805-M809 PolarHBondContact O-N 2.86Å |
| 806 | R | 91.7 | Very high | 89.2 | Confident | 187 Ų | 187 | 102.7 Ų | 102.7 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53 | -50.2 | 174 | 179 | -174.8 | 176.7 | -160 | -1.2 | 111.2 | V802 I803 K808 M809 H810 | V802-R806 PolarHBondContact O-N 3.22Å; I803-R806 PolarHBondContact O-N 3.19Å; R806-K808 VanDerWaalsContact C-N 3.32Å; R806-K808 PolarHBondContact O-N 2.63Å; R806-M809 PolarHBondContact O-N 2.59Å; R806-H810 PolarHBondContact O-N 3.09Å |
| 807 | N | 90.6 | Very high | 89.3 | Confident | 95 Ų | 95 | 102.9 Ų | 102.9 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | -178.8 | -66.1 | 1.1 | 0 | 0 | 0 | 111.5 | I803 L805 H810 Y811 | I803-N807 VanDerWaalsContact O-CG 3.29Å; I803-N807 PolarHBondContact O-N 3.47Å; I803-N807 PolarHBondContact O-OD1 3.14Å; L805-N807 VanDerWaalsContact C-N 3.33Å; L805-N807 PolarHBondContact O-N 2.98Å; N807-H810 PolarHBondContact O-N 3.46Å; N807-Y811 WeakPolarHBondContact O-CB 3.44Å; N807-Y811 PolarHBondContact O-N 3.36Å |
| 808 | K | 89.4 | Confident | 89.3 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -33.3 | 174.5 | -171.4 | 177 | -175.9 | 179.1 | 0 | 113 | K804 L805 R806 R812 | K804-K808 VanDerWaalsContact O-CB 3.24Å; K804-K808 WeakPolarHBondContact O-CB 3.44Å; K804-K808 PolarHBondContact O-N 3.16Å; L805-K808 WeakPolarHBondContact O-CB 3.4Å; L805-K808 PolarHBondContact O-N 3.35Å; L805-K808 VanDerWaalsContact O-N 3.16Å; R806-K808 VanDerWaalsContact C-N 3.32Å; R806-K808 PolarHBondContact O-N 2.63Å; K808-R812 WeakPolarHBondContact O-CB 3.36Å; K808-R812 VanDerWaalsContact O-CG 3.29Å; K808-R812 WeakPolarHBondContact O-CG 3.36Å; K808-R812 PolarHBondContact O-N 2.86Å; K808-R812 VanDerWaalsContact O-N 3.14Å |
| 809 | M | 88.1 | Confident | 89.4 | Confident | 125 Ų | 125 | 103 Ų | 103 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.9 | -48 | 172.7 | -70.7 | 171.3 | 72.7 | 0 | 0 | 111.2 | L805 R806 Y811 R812 A813 | L805-M809 HydrophobicContact CG-SD 4.34Å; L805-M809 WeakPolarHBondContact O-CG 3.3Å; L805-M809 PolarHBondContact O-N 2.86Å; R806-M809 PolarHBondContact O-N 2.59Å; M809-Y811 PolarHBondContact O-N 3.34Å; M809-R812 WeakPolarHBondContact O-CB 3.38Å; M809-R812 PolarHBondContact O-N 2.99Å; M809-R812 VanDerWaalsContact O-N 3.15Å; M809-A813 PolarHBondContact O-N 3.11Å |
| 810 | H | 89.1 | Confident | 89.4 | Confident | 133 Ų | 133 | 104.1 Ų | 104.1 | 62% | 0.616 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -46.1 | 177.3 | -175.9 | 74.7 | 0 | 0 | 0 | 112 | R806 N807 R812 A813 V814 | R806-H810 PolarHBondContact O-N 3.09Å; N807-H810 PolarHBondContact O-N 3.46Å; H810-R812 VanDerWaalsContact C-N 3.32Å; H810-R812 PolarHBondContact O-N 2.82Å; H810-A813 PolarHBondContact O-N 2.6Å; H810-A813 VanDerWaalsContact O-N 3.16Å; H810-V814 PolarHBondContact O-N 2.76Å |
| 811 | Y | 90.8 | Very high | 89.3 | Confident | 171 Ų | 171 | 107.6 Ų | 107.6 | 67% | 0.671 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -55.3 | -43.9 | 172.8 | 173.3 | -96.7 | 0 | 0 | 0 | 112.6 | N807 M809 V814 A815 | N807-Y811 WeakPolarHBondContact O-CB 3.44Å; N807-Y811 PolarHBondContact O-N 3.36Å; M809-Y811 PolarHBondContact O-N 3.34Å; Y811-V814 PolarHBondContact O-N 2.7Å; Y811-A815 WeakPolarHBondContact O-CB 3.43Å; Y811-A815 PolarHBondContact O-N 3.33Å |
| 812 | R | 88.7 | Confident | 89.5 | Confident | 163 Ų | 163 | 107 Ų | 107 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 177.3 | -81.1 | 175 | 166.3 | -167.6 | -5.4 | 112.7 | K808 M809 H810 A815 C816 | K808-R812 WeakPolarHBondContact O-CB 3.36Å; K808-R812 VanDerWaalsContact O-CG 3.29Å; K808-R812 WeakPolarHBondContact O-CG 3.36Å; K808-R812 PolarHBondContact O-N 2.86Å; K808-R812 VanDerWaalsContact O-N 3.14Å; M809-R812 WeakPolarHBondContact O-CB 3.38Å; M809-R812 PolarHBondContact O-N 2.99Å; M809-R812 VanDerWaalsContact O-N 3.15Å; H810-R812 VanDerWaalsContact C-N 3.32Å; H810-R812 PolarHBondContact O-N 2.82Å; R812-A815 PolarHBondContact O-N 2.81Å; R812-C816 WeakPolarHBondContact O-CB 3.22Å; R812-C816 PolarHBondContact O-N 3.21Å |
| 813 | A | 88.9 | Confident | 89.3 | Confident | 52 Ų | 52 | 105.7 Ų | 105.7 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M809 H810 A815 C816 I817 | M809-A813 PolarHBondContact O-N 3.11Å; H810-A813 PolarHBondContact O-N 2.6Å; H810-A813 VanDerWaalsContact O-N 3.16Å; A813-A815 VanDerWaalsContact C-N 3.32Å; A813-A815 PolarHBondContact O-N 3.03Å; A813-C816 WeakPolarHBondContact O-CB 3.36Å; A813-C816 PolarHBondContact O-N 2.96Å; A813-C816 VanDerWaalsContact O-N 3.12Å; A813-I817 WeakPolarHBondContact O-CG1 3.38Å; A813-I817 PolarHBondContact O-N 3.48Å |
| 814 | V | 90.4 | Very high | 89.3 | Confident | 58 Ų | 58 | 109.8 Ų | 109.8 | 35% | 0.352 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | H810 Y811 I817 K818 | H810-V814 PolarHBondContact O-N 2.76Å; Y811-V814 PolarHBondContact O-N 2.7Å; V814-I817 PolarHBondContact O-N 3.04Å; V814-K818 WeakPolarHBondContact O-CG 3.47Å; V814-K818 PolarHBondContact O-N 2.85Å; V814-K818 VanDerWaalsContact O-N 3.09Å |
| 815 | A | 86.7 | Confident | 89.3 | Confident | 31 Ų | 31 | 108 Ų | 108 | 26% | 0.256 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y811 R812 A813 K818 I819 | Y811-A815 WeakPolarHBondContact O-CB 3.43Å; Y811-A815 PolarHBondContact O-N 3.33Å; R812-A815 PolarHBondContact O-N 2.81Å; A813-A815 VanDerWaalsContact C-N 3.32Å; A813-A815 PolarHBondContact O-N 3.03Å; A815-K818 PolarHBondContact O-N 2.88Å; A815-I819 WeakPolarHBondContact O-CG1 3.34Å; A815-I819 PolarHBondContact O-N 2.85Å |
| 816 | C | 88.6 | Confident | 89.2 | Confident | 60 Ų | 60 | 110.3 Ų | 110.3 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 176.5 | -164.1 | 0 | 0 | 0 | 0 | 111.6 | R812 A813 K818 I819 Q820 | R812-C816 WeakPolarHBondContact O-CB 3.22Å; R812-C816 PolarHBondContact O-N 3.21Å; A813-C816 WeakPolarHBondContact O-CB 3.36Å; A813-C816 PolarHBondContact O-N 2.96Å; A813-C816 VanDerWaalsContact O-N 3.12Å; C816-K818 VanDerWaalsContact C-N 3.31Å; C816-K818 PolarHBondContact O-N 3.4Å; C816-I819 PolarHBondContact O-N 2.91Å; C816-I819 VanDerWaalsContact O-N 3.12Å; C816-Q820 WeakPolarHBondContact O-CB 3.33Å; C816-Q820 WeakPolarHBondContact O-CG 3.46Å; C816-Q820 PolarHBondContact O-N 2.81Å |
| 817 | I | 90.6 | Very high | 89 | Confident | 103 Ų | 103 | 105.9 Ų | 105.9 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.5 | -63.9 | 166.2 | 0 | 0 | 0 | 110.9 | A813 V814 I819 Q820 K821 | A813-I817 WeakPolarHBondContact O-CG1 3.38Å; A813-I817 PolarHBondContact O-N 3.48Å; V814-I817 PolarHBondContact O-N 3.04Å; I817-I819 VanDerWaalsContact C-N 3.34Å; I817-I819 PolarHBondContact O-N 3.44Å; I817-Q820 PolarHBondContact O-N 2.7Å; I817-K821 PolarHBondContact O-N 3.49Å |
| 818 | K | 87.3 | Confident | 88.8 | Confident | 126 Ų | 126 | 104.8 Ų | 104.8 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 175.7 | -74.4 | 179.8 | -179.7 | -175.8 | 0 | 112.9 | V814 A815 C816 S822 | V814-K818 WeakPolarHBondContact O-CG 3.47Å; V814-K818 PolarHBondContact O-N 2.85Å; V814-K818 VanDerWaalsContact O-N 3.09Å; A815-K818 PolarHBondContact O-N 2.88Å; C816-K818 VanDerWaalsContact C-N 3.31Å; C816-K818 PolarHBondContact O-N 3.4Å; K818-S822 PolarHBondContact O-N 3.34Å; K818-S822 PolarHBondContact O-OG 2.85Å |
| 819 | I | 88.6 | Confident | 88.5 | Confident | 109 Ų | 109 | 107.5 Ų | 107.5 | 56% | 0.559 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.9 | -50.5 | 174.3 | -68.5 | 160.3 | 0 | 0 | 0 | 110.4 | A815 C816 I817 K821 S822 V823 | A815-I819 WeakPolarHBondContact O-CG1 3.34Å; A815-I819 PolarHBondContact O-N 2.85Å; C816-I819 PolarHBondContact O-N 2.91Å; C816-I819 VanDerWaalsContact O-N 3.12Å; I817-I819 VanDerWaalsContact C-N 3.34Å; I817-I819 PolarHBondContact O-N 3.44Å; I819-K821 PolarHBondContact O-N 3.42Å; I819-S822 PolarHBondContact O-N 3.05Å; I819-S822 VanDerWaalsContact O-N 3.14Å; I819-V823 HydrophobicContact CG2-CG2 4.2Å; I819-V823 WeakPolarHBondContact O-CG2 3.3Å; I819-V823 PolarHBondContact O-N 3.16Å |
| 820 | Q | 89 | Confident | 88.2 | Confident | 94 Ų | 94 | 108.1 Ų | 108.1 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | -178.3 | -74 | 175.2 | -14.8 | 0 | 0 | 112.4 | C816 I817 S822 R824 | C816-Q820 WeakPolarHBondContact O-CB 3.33Å; C816-Q820 WeakPolarHBondContact O-CG 3.46Å; C816-Q820 PolarHBondContact O-N 2.81Å; I817-Q820 PolarHBondContact O-N 2.7Å; Q820-S822 PolarHBondContact O-N 2.6Å; Q820-R824 WeakPolarHBondContact O-CB 3.34Å; Q820-R824 VanDerWaalsContact O-CG 3.27Å; Q820-R824 WeakPolarHBondContact O-CG 3.48Å; Q820-R824 PolarHBondContact O-N 3.07Å |
| 821 | K | 90.8 | Very high | 87.8 | Confident | 138 Ų | 138 | 109.4 Ų | 109.4 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -39.2 | 178.3 | 77.3 | 175.5 | -170.3 | 167.3 | 0 | 112.4 | I817 I819 M825 | I817-K821 PolarHBondContact O-N 3.49Å; I819-K821 PolarHBondContact O-N 3.42Å; K821-M825 VanDerWaalsContact O-CB 3.24Å; K821-M825 WeakPolarHBondContact O-CB 3.38Å; K821-M825 PolarHBondContact O-N 3.01Å |
| 822 | S | 88.6 | Confident | 87.3 | Confident | 58 Ų | 58 | 104.9 Ų | 104.9 | 41% | 0.406 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 180 | -63 | 0 | 0 | 0 | 0 | 112 | K818 I819 Q820 M825 W826 | K818-S822 PolarHBondContact O-N 3.34Å; K818-S822 PolarHBondContact O-OG 2.85Å; I819-S822 PolarHBondContact O-N 3.05Å; I819-S822 VanDerWaalsContact O-N 3.14Å; Q820-S822 PolarHBondContact O-N 2.6Å; S822-M825 PolarHBondContact O-N 2.89Å; S822-W826 WeakPolarHBondContact O-CB 3.08Å; S822-W826 PolarHBondContact O-N 3.12Å |
| 823 | V | 88.4 | Confident | 87 | Confident | 74 Ų | 74 | 102.6 Ų | 102.6 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I819 M825 W826 L827 | I819-V823 HydrophobicContact CG2-CG2 4.2Å; I819-V823 WeakPolarHBondContact O-CG2 3.3Å; I819-V823 PolarHBondContact O-N 3.16Å; V823-M825 VanDerWaalsContact C-N 3.33Å; V823-M825 PolarHBondContact O-N 3.2Å; V823-W826 PolarHBondContact O-N 2.68Å; V823-L827 HydrophobicContact CG1-CD1 3.92Å; V823-L827 HydrophobicContact CG1-CG 4.35Å; V823-L827 WeakPolarHBondContact O-CB 3.05Å; V823-L827 WeakPolarHBondContact O-CG 3.48Å; V823-L827 PolarHBondContact O-N 3.47Å |
| 824 | R | 90.4 | Very high | 86.6 | Confident | 180 Ų | 180 | 102.1 Ų | 102.1 | 68% | 0.679 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.3 | -44 | 175.1 | -73.7 | 173.9 | 178.4 | 176.6 | -0.2 | 111.9 | Q820 C828 | Q820-R824 WeakPolarHBondContact O-CB 3.34Å; Q820-R824 VanDerWaalsContact O-CG 3.27Å; Q820-R824 WeakPolarHBondContact O-CG 3.48Å; Q820-R824 PolarHBondContact O-N 3.07Å; R824-C828 WeakPolarHBondContact O-CB 3.37Å; R824-C828 PolarHBondContact O-N 3.47Å |
| 825 | M | 89.4 | Confident | 86.1 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 177.4 | -178.9 | -103.5 | -72.6 | 0 | 0 | 112.4 | K821 S822 V823 C828 R829 | K821-M825 VanDerWaalsContact O-CB 3.24Å; K821-M825 WeakPolarHBondContact O-CB 3.38Å; K821-M825 PolarHBondContact O-N 3.01Å; S822-M825 PolarHBondContact O-N 2.89Å; V823-M825 VanDerWaalsContact C-N 3.33Å; V823-M825 PolarHBondContact O-N 3.2Å; M825-C828 PolarHBondContact O-N 3.02Å; M825-R829 WeakPolarHBondContact O-CB 3.43Å; M825-R829 WeakPolarHBondContact O-CG 3.31Å; M825-R829 PolarHBondContact O-N 2.99Å |
| 826 | W | 87.4 | Confident | 85.8 | Confident | 149 Ų | 149 | 105.9 Ų | 105.9 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -44.4 | 176.1 | 179.8 | 86.8 | 0 | 0 | 0 | 112.5 | S822 V823 C828 R829 K830 | S822-W826 WeakPolarHBondContact O-CB 3.08Å; S822-W826 PolarHBondContact O-N 3.12Å; V823-W826 PolarHBondContact O-N 2.68Å; W826-C828 PolarHBondContact O-N 3.28Å; W826-R829 PolarHBondContact O-N 2.92Å; W826-K830 HydrophobicContact CH2-CD 3.71Å; W826-K830 HydrophobicContact CZ2-CD 3.95Å; W826-K830 HydrophobicContact CZ3-CD 4.11Å; W826-K830 WeakPolarHBondContact O-CB 3.32Å; W826-K830 PolarHBondContact O-N 2.86Å |
| 827 | L | 87 | Confident | 85.6 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.2 | -72.6 | 170.7 | 0 | 0 | 0 | 111.6 | V823 K830 K831 | V823-L827 HydrophobicContact CG1-CD1 3.92Å; V823-L827 HydrophobicContact CG1-CG 4.35Å; V823-L827 WeakPolarHBondContact O-CB 3.05Å; V823-L827 WeakPolarHBondContact O-CG 3.48Å; V823-L827 PolarHBondContact O-N 3.47Å; L827-K830 PolarHBondContact O-N 3.25Å; L827-K831 WeakPolarHBondContact O-CB 3.26Å; L827-K831 PolarHBondContact O-N 2.83Å |
| 828 | C | 85.6 | Confident | 85.1 | Confident | 73 Ų | 73 | 101.9 Ų | 101.9 | 49% | 0.493 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.9 | -50 | 175 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | R824 M825 W826 K830 K831 H832 | R824-C828 WeakPolarHBondContact O-CB 3.37Å; R824-C828 PolarHBondContact O-N 3.47Å; M825-C828 PolarHBondContact O-N 3.02Å; W826-C828 PolarHBondContact O-N 3.28Å; C828-K830 PolarHBondContact O-N 2.83Å; C828-K831 PolarHBondContact O-N 2.85Å; C828-H832 PolarHBondContact O-CD2 3.32Å; C828-H832 VanDerWaalsContact O-CD2 3.31Å; C828-H832 PolarHBondContact O-N 2.85Å; C828-H832 VanDerWaalsContact O-N 3.08Å |
| 829 | R | 83.9 | Confident | 84.9 | Confident | 176 Ų | 176 | 97.7 Ų | 97.7 | 66% | 0.664 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -57.5 | -45.6 | 175.4 | -76.6 | -178.5 | 174 | -169.9 | -2.7 | 111.8 | M825 W826 K831 H832 K833 | M825-R829 WeakPolarHBondContact O-CB 3.43Å; M825-R829 WeakPolarHBondContact O-CG 3.31Å; M825-R829 PolarHBondContact O-N 2.99Å; W826-R829 PolarHBondContact O-N 2.92Å; R829-K831 PolarHBondContact O-N 2.89Å; R829-H832 PolarHBondContact O-N 2.76Å; R829-K833 WeakPolarHBondContact O-CA 3.3Å; R829-K833 WeakPolarHBondContact O-CB 3.36Å; R829-K833 PolarHBondContact O-N 3.06Å |
| 830 | K | 81.9 | Confident | 84.7 | Confident | 137 Ų | 137 | 96.2 Ų | 96.2 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 178 | -173.6 | 177 | 178.7 | -178.3 | 0 | 112.2 | W826 L827 C828 | W826-K830 HydrophobicContact CH2-CD 3.71Å; W826-K830 HydrophobicContact CZ2-CD 3.95Å; W826-K830 HydrophobicContact CZ3-CD 4.11Å; W826-K830 WeakPolarHBondContact O-CB 3.32Å; W826-K830 PolarHBondContact O-N 2.86Å; L827-K830 PolarHBondContact O-N 3.25Å; C828-K830 PolarHBondContact O-N 2.83Å |
| 831 | K | 80.6 | Confident | 84.5 | Confident | 161 Ų | 161 | 94.7 Ų | 94.7 | 70% | 0.7 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.7 | -39.4 | 178.4 | -173.3 | 176.2 | -177.8 | 178.7 | 0 | 112.8 | L827 C828 R829 | L827-K831 WeakPolarHBondContact O-CB 3.26Å; L827-K831 PolarHBondContact O-N 2.83Å; C828-K831 PolarHBondContact O-N 2.85Å; R829-K831 PolarHBondContact O-N 2.89Å |
| 832 | H | 81.1 | Confident | 84.2 | Confident | 75 Ų | 75 | 88.1 Ų | 88.1 | 35% | 0.347 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -98.6 | -17 | -173.2 | -67.7 | -74.8 | 0 | 0 | 0 | 114.8 | C828 R829 R835 I836 | C828-H832 PolarHBondContact O-CD2 3.32Å; C828-H832 VanDerWaalsContact O-CD2 3.31Å; C828-H832 PolarHBondContact O-N 2.85Å; C828-H832 VanDerWaalsContact O-N 3.08Å; R829-H832 PolarHBondContact O-N 2.76Å; H832-R835 WeakPolarHBondContact O-CB 3.4Å; H832-R835 PolarHBondContact O-N 3.26Å; H832-R835 VanDerWaalsContact O-N 3.08Å; H832-I836 HydrophobicContact CB-CD1 4.42Å; H832-I836 WeakPolarHBondContact O-CG1 3.48Å; H832-I836 PolarHBondContact O-N 2.81Å; H832-I836 VanDerWaalsContact O-N 3.12Å |
| 833 | K | 82.1 | Confident | 84 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -49.3 | -50.7 | -178.9 | 170.3 | 173.1 | -178.1 | -177.4 | 0 | 114 | R829 R835 I836 E837 | R829-K833 WeakPolarHBondContact O-CA 3.3Å; R829-K833 WeakPolarHBondContact O-CB 3.36Å; R829-K833 PolarHBondContact O-N 3.06Å; K833-R835 VanDerWaalsContact C-N 3.25Å; K833-R835 PolarHBondContact O-N 2.96Å; K833-I836 PolarHBondContact O-N 3.44Å; K833-I836 VanDerWaalsContact O-N 3.1Å; K833-E837 WeakPolarHBondContact CE-OE1 3.31Å; K833-E837 WeakPolarHBondContact CE-OE2 3.23Å; K833-E837 HydrophobicContact CG-CG 4.31Å; K833-E837 VanDerWaalsContact CG-OE2 3.24Å; K833-E837 WeakPolarHBondContact CG-OE2 3.48Å; K833-E837 IonicContact NZ-OE1 3.57Å; K833-E837 PolarHBondContact NZ-OE1 2.86Å; K833-E837 PolarHBondContact O-N 2.86Å |
| 834 | P | 80.1 | Confident | 83.8 | Confident | 42 Ų | 42 | 93.5 Ų | 93.5 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -30.3 | -178.6 | -21.8 | 33.5 | 0 | 0 | 0 | 113.7 | G838 W891 | P834-G838 PolarHBondContact O-N 3.4Å; P834-W891 HydrophobicContact CB-CB 4.14Å; P834-W891 HydrophobicContact CB-CE3 3.96Å |
| 835 | R | 79.7 | Confident | 83.4 | Confident | 65 Ų | 65 | 85.1 Ų | 85.1 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.9 | -38.9 | 176.6 | -168 | -176.2 | -170.8 | -161.8 | 6.3 | 111.4 | H832 K833 L839 I884 K885 | H832-R835 WeakPolarHBondContact O-CB 3.4Å; H832-R835 PolarHBondContact O-N 3.26Å; H832-R835 VanDerWaalsContact O-N 3.08Å; K833-R835 VanDerWaalsContact C-N 3.25Å; K833-R835 PolarHBondContact O-N 2.96Å; R835-L839 WeakPolarHBondContact O-CB 3.32Å; R835-L839 VanDerWaalsContact O-CG 3.3Å; R835-L839 WeakPolarHBondContact O-CG 3.33Å; R835-L839 PolarHBondContact O-N 2.97Å; R835-I884 HydrophobicContact CG-CG2 3.89Å; R835-I884 VanDerWaalsContact CZ-O 3.23Å; R835-I884 PolarHBondContact NE-O 2.81Å; R835-I884 PolarHBondContact NH2-O 2.69Å; R835-K885 PolarHBondContact NH2-O 3.03Å |
| 836 | I | 81.5 | Confident | 83.2 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.7 | -47.7 | 176.7 | -61.8 | 170.6 | 0 | 0 | 0 | 110.1 | H832 K833 G838 L839 V840 | H832-I836 HydrophobicContact CB-CD1 4.42Å; H832-I836 WeakPolarHBondContact O-CG1 3.48Å; H832-I836 PolarHBondContact O-N 2.81Å; H832-I836 VanDerWaalsContact O-N 3.12Å; K833-I836 PolarHBondContact O-N 3.44Å; K833-I836 VanDerWaalsContact O-N 3.1Å; I836-G838 VanDerWaalsContact C-N 3.3Å; I836-G838 PolarHBondContact O-N 3.29Å; I836-L839 PolarHBondContact O-N 3.1Å; I836-V840 WeakPolarHBondContact O-CG2 3.5Å; I836-V840 PolarHBondContact O-N 2.92Å |
| 837 | E | 82.9 | Confident | 83 | Confident | 79 Ų | 79 | 82.7 Ų | 82.7 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 176.7 | -70 | 174.5 | 141.1 | 0 | 0 | 111.7 | K833 V840 K841 W891 | K833-E837 WeakPolarHBondContact CE-OE1 3.31Å; K833-E837 WeakPolarHBondContact CE-OE2 3.23Å; K833-E837 HydrophobicContact CG-CG 4.31Å; K833-E837 VanDerWaalsContact CG-OE2 3.24Å; K833-E837 WeakPolarHBondContact CG-OE2 3.48Å; K833-E837 IonicContact NZ-OE1 3.57Å; K833-E837 PolarHBondContact NZ-OE1 2.86Å; K833-E837 PolarHBondContact O-N 2.86Å; E837-V840 PolarHBondContact O-N 3.36Å; E837-K841 PolarHBondContact O-N 2.98Å; E837-W891 HydrophobicContact CB-CH2 4.05Å; E837-W891 HydrophobicContact CB-CZ3 3.71Å |
| 838 | G | 81.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P834 I836 V840 K841 V842 | P834-G838 PolarHBondContact O-N 3.4Å; I836-G838 VanDerWaalsContact C-N 3.3Å; I836-G838 PolarHBondContact O-N 3.29Å; G838-V840 VanDerWaalsContact C-N 3.33Å; G838-V840 PolarHBondContact O-N 3.21Å; G838-K841 WeakPolarHBondContact O-CB 3.49Å; G838-K841 PolarHBondContact O-N 3.28Å; G838-V842 WeakPolarHBondContact O-CG2 3.42Å; G838-V842 PolarHBondContact O-N 2.9Å |
| 839 | L | 82.8 | Confident | 82.3 | Confident | 39 Ų | 39 | 80.6 Ų | 80.6 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 174.6 | -74.6 | 168.5 | 0 | 0 | 0 | 111.7 | R835 I836 V842 Q843 L881 I884 K885 | R835-L839 WeakPolarHBondContact O-CB 3.32Å; R835-L839 VanDerWaalsContact O-CG 3.3Å; R835-L839 WeakPolarHBondContact O-CG 3.33Å; R835-L839 PolarHBondContact O-N 2.97Å; I836-L839 PolarHBondContact O-N 3.1Å; L839-V842 PolarHBondContact O-N 2.9Å; L839-Q843 WeakPolarHBondContact O-CB 3.34Å; L839-Q843 PolarHBondContact O-N 3.05Å; L839-L881 HydrophobicContact CD2-CD2 4.07Å; L839-L881 HydrophobicContact CD2-CG 4.39Å; L839-I884 HydrophobicContact CD1-CG2 4.42Å; L839-I884 HydrophobicContact CD2-CB 3.97Å; L839-I884 HydrophobicContact CD2-CG2 3.69Å; L839-I884 HydrophobicContact CG-CG2 3.69Å; L839-K885 HydrophobicContact CD2-CG 4.06Å |
| 840 | V | 85.3 | Confident | 81.9 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | I836 E837 G838 K844 | I836-V840 WeakPolarHBondContact O-CG2 3.5Å; I836-V840 PolarHBondContact O-N 2.92Å; E837-V840 PolarHBondContact O-N 3.36Å; G838-V840 VanDerWaalsContact C-N 3.33Å; G838-V840 PolarHBondContact O-N 3.21Å; V840-K844 WeakPolarHBondContact O-CG 3.5Å; V840-K844 PolarHBondContact O-N 2.86Å; V840-K844 VanDerWaalsContact O-N 3.08Å |
| 841 | K | 83.4 | Confident | 81.6 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 27% | 0.27 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.5 | -57.1 | 171.7 | -84.2 | -179.5 | 165.5 | 179.9 | 0 | 111.7 | E837 G838 Q843 K844 L845 W891 D895 Y898 | E837-K841 PolarHBondContact O-N 2.98Å; G838-K841 WeakPolarHBondContact O-CB 3.49Å; G838-K841 PolarHBondContact O-N 3.28Å; K841-Q843 VanDerWaalsContact C-N 3.29Å; K841-Q843 PolarHBondContact O-N 2.87Å; K841-K844 WeakPolarHBondContact O-CB 3.46Å; K841-K844 PolarHBondContact O-N 3.13Å; K841-K844 VanDerWaalsContact O-N 3.15Å; K841-L845 PolarHBondContact O-N 3.13Å; K841-L845 VanDerWaalsContact O-N 3.13Å; K841-W891 HydrophobicContact CD-CH2 4.01Å; K841-W891 VanDerWaalsContact NZ-CZ2 3.27Å; K841-D895 IonicContact NZ-OD1 2.73Å; K841-D895 PolarHBondContact NZ-OD1 3.39Å; K841-Y898 HydrophobicContact CB-CD2 4.16Å; K841-Y898 HydrophobicContact CB-CE2 3.88Å; K841-Y898 HydrophobicContact CD-CD1 4.48Å; K841-Y898 HydrophobicContact CD-CE1 4.45Å; K841-Y898 WeakPolarHBondContact O-CE2 3.44Å |
| 842 | V | 83.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.7 | -36.9 | -176.8 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | G838 L839 L845 K846 V877 L880 L881 I884 Y898 | G838-V842 WeakPolarHBondContact O-CG2 3.42Å; G838-V842 PolarHBondContact O-N 2.9Å; L839-V842 PolarHBondContact O-N 2.9Å; V842-L845 PolarHBondContact O-N 3.46Å; V842-K846 PolarHBondContact O-N 2.87Å; V842-V877 HydrophobicContact CG1-CG1 3.98Å; V842-L880 HydrophobicContact CG1-CD2 4.37Å; V842-L880 HydrophobicContact CG1-CG 4.39Å; V842-L880 HydrophobicContact CG2-CD2 3.7Å; V842-L880 HydrophobicContact CG2-CG 4.08Å; V842-L881 HydrophobicContact CG1-CB 3.92Å; V842-L881 HydrophobicContact CG1-CD1 4.27Å; V842-L881 HydrophobicContact CG1-CG 4.13Å; V842-I884 HydrophobicContact CG2-CD1 3.83Å; V842-Y898 HydrophobicContact CG2-CD2 3.97Å |
| 843 | Q | 84.5 | Confident | 80.8 | Confident | 105 Ų | 105 | 70.5 Ų | 70.5 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74 | -24.9 | 178.2 | -165.2 | 169 | 4.1 | 0 | 0 | 113.4 | L839 K841 K847 L881 | L839-Q843 WeakPolarHBondContact O-CB 3.34Å; L839-Q843 PolarHBondContact O-N 3.05Å; K841-Q843 VanDerWaalsContact C-N 3.29Å; K841-Q843 PolarHBondContact O-N 2.87Å; Q843-K847 PolarHBondContact O-N 3.26Å; Q843-L881 HydrophobicContact CB-CD1 4.31Å |
| 844 | K | 85.1 | Confident | 80.4 | Confident | 140 Ų | 140 | 71.5 Ų | 71.5 | 61% | 0.609 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.1 | -46.2 | 165.6 | -78.3 | -179.8 | 176.7 | -170.4 | 0 | 111.2 | V840 K841 K846 K847 Q848 | V840-K844 WeakPolarHBondContact O-CG 3.5Å; V840-K844 PolarHBondContact O-N 2.86Å; V840-K844 VanDerWaalsContact O-N 3.08Å; K841-K844 WeakPolarHBondContact O-CB 3.46Å; K841-K844 PolarHBondContact O-N 3.13Å; K841-K844 VanDerWaalsContact O-N 3.15Å; K844-K846 VanDerWaalsContact C-N 3.31Å; K844-K846 PolarHBondContact O-N 2.82Å; K844-K847 PolarHBondContact O-N 3.15Å; K844-K847 VanDerWaalsContact O-N 3.13Å; K844-Q848 PolarHBondContact O-N 2.87Å; K844-Q848 VanDerWaalsContact O-N 3.08Å |
| 845 | L | 83.1 | Confident | 80 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61 | -39 | 176.9 | -177.6 | 62.4 | 0 | 0 | 0 | 111.8 | K841 V842 K847 Q848 M849 V877 Y898 L901 V902 | K841-L845 PolarHBondContact O-N 3.13Å; K841-L845 VanDerWaalsContact O-N 3.13Å; V842-L845 PolarHBondContact O-N 3.46Å; L845-K847 PolarHBondContact O-N 3.43Å; L845-Q848 WeakPolarHBondContact O-CB 3.24Å; L845-Q848 PolarHBondContact O-N 2.96Å; L845-Q848 VanDerWaalsContact O-N 3.12Å; L845-M849 WeakPolarHBondContact O-CG 3.45Å; L845-M849 PolarHBondContact O-N 2.79Å; L845-V877 HydrophobicContact CD2-CG2 4.03Å; L845-V877 HydrophobicContact CG-CG2 4.2Å; L845-Y898 HydrophobicContact CB-CE2 3.92Å; L845-Y898 HydrophobicContact CD2-CD2 4.21Å; L845-Y898 HydrophobicContact CD2-CE2 3.97Å; L845-L901 HydrophobicContact CD2-CB 3.89Å; L845-V902 HydrophobicContact CD1-CG2 4.42Å; L845-V902 HydrophobicContact CD2-CG2 4.08Å |
| 846 | K | 83.9 | Confident | 79.6 | Confident | 55 Ų | 55 | 70 Ų | 70 | 24% | 0.239 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 171.8 | 177.8 | 157.3 | 174.8 | 157.6 | 0 | 112.4 | V842 K844 Q848 M849 E850 V877 D878 | V842-K846 PolarHBondContact O-N 2.87Å; K844-K846 VanDerWaalsContact C-N 3.31Å; K844-K846 PolarHBondContact O-N 2.82Å; K846-Q848 PolarHBondContact O-N 3.15Å; K846-M849 WeakPolarHBondContact O-CA 3.45Å; K846-M849 WeakPolarHBondContact O-CB 3.48Å; K846-M849 PolarHBondContact O-N 3.42Å; K846-E850 WeakPolarHBondContact CE-OE1 3.3Å; K846-E850 HydrophobicContact CG-CG 4.39Å; K846-E850 WeakPolarHBondContact CG-OE1 3.39Å; K846-E850 WeakPolarHBondContact O-CG 3.5Å; K846-E850 PolarHBondContact O-N 3.43Å; K846-V877 HydrophobicContact CB-CG1 3.8Å; K846-D878 WeakPolarHBondContact CD-OD1 3.26Å; K846-D878 IonicContact NZ-OD1 3.9Å; K846-D878 PolarHBondContact NZ-OD1 2.87Å; K846-D878 IonicContact NZ-OD2 3.34Å; K846-D878 PolarHBondContact NZ-OD2 2.88Å |
| 847 | K | 83.3 | Confident | 79 | Confident | 135 Ų | 135 | 69.1 Ų | 69.1 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.7 | -26.9 | 176.1 | -73.2 | -169.1 | 170.9 | -163.9 | 0 | 113.9 | Q843 K844 L845 E850 R851 | Q843-K847 PolarHBondContact O-N 3.26Å; K844-K847 PolarHBondContact O-N 3.15Å; K844-K847 VanDerWaalsContact O-N 3.13Å; L845-K847 PolarHBondContact O-N 3.43Å; K847-E850 WeakPolarHBondContact CA-OE2 3.23Å; K847-R851 PolarHBondContact O-N 2.92Å |
| 848 | Q | 79.3 | Confident | 78.3 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.6 | -38.3 | 170.8 | -67.7 | 173.2 | -71.9 | 0 | 0 | 111.4 | K844 L845 K846 F852 | K844-Q848 PolarHBondContact O-N 2.87Å; K844-Q848 VanDerWaalsContact O-N 3.08Å; L845-Q848 WeakPolarHBondContact O-CB 3.24Å; L845-Q848 PolarHBondContact O-N 2.96Å; L845-Q848 VanDerWaalsContact O-N 3.12Å; K846-Q848 PolarHBondContact O-N 3.15Å; Q848-F852 WeakPolarHBondContact O-CB 3.29Å; Q848-F852 PolarHBondContact O-N 3.26Å |
| 849 | M | 77.8 | Confident | 77.7 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 174.8 | -66.6 | -63.2 | 93.4 | 0 | 0 | 113.4 | L845 K846 F852 N853 L873 V877 S905 | L845-M849 WeakPolarHBondContact O-CG 3.45Å; L845-M849 PolarHBondContact O-N 2.79Å; K846-M849 WeakPolarHBondContact O-CA 3.45Å; K846-M849 WeakPolarHBondContact O-CB 3.48Å; K846-M849 PolarHBondContact O-N 3.42Å; M849-F852 HydrophobicContact CE-CB 4.16Å; M849-F852 HydrophobicContact CE-CG 4.45Å; M849-F852 PolarHBondContact O-N 2.97Å; M849-N853 WeakPolarHBondContact O-CB 3.37Å; M849-N853 PolarHBondContact O-N 3.07Å; M849-L873 HydrophobicContact SD-CD2 3.58Å; M849-L873 VanDerWaalsContact SD-CD2 3.58Å; M849-L873 HydrophobicContact SD-CG 3.88Å; M849-V877 HydrophobicContact CG-CG2 4.36Å; M849-S905 WeakPolarHBondContact CE-OG 3.28Å |
| 850 | E | 77.3 | Confident | 76.7 | Confident | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.8 | -52.4 | 173.5 | -72.5 | 161.8 | 174.5 | 0 | 0 | 110.3 | K846 K847 F852 N853 E854 | K846-E850 WeakPolarHBondContact CE-OE1 3.3Å; K846-E850 HydrophobicContact CG-CG 4.39Å; K846-E850 WeakPolarHBondContact CG-OE1 3.39Å; K846-E850 WeakPolarHBondContact O-CG 3.5Å; K846-E850 PolarHBondContact O-N 3.43Å; K847-E850 WeakPolarHBondContact CA-OE2 3.23Å; E850-F852 VanDerWaalsContact C-N 3.35Å; E850-F852 PolarHBondContact O-N 3.17Å; E850-N853 PolarHBondContact O-N 3.07Å; E850-E854 PolarHBondContact O-N 2.82Å; E850-E854 VanDerWaalsContact O-N 3.14Å |
| 851 | R | 74.8 | Confident | 75.5 | Confident | 182 Ų | 182 | 79.8 Ų | 79.8 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.2 | -36.1 | 173.7 | -70.1 | 177.3 | 173.8 | -171.4 | -4.3 | 114 | K847 N853 E854 V855 | K847-R851 PolarHBondContact O-N 2.92Å; R851-N853 VanDerWaalsContact C-N 3.3Å; R851-N853 PolarHBondContact O-N 3.28Å; R851-E854 WeakPolarHBondContact CA-OE2 3.17Å; R851-E854 WeakPolarHBondContact O-CB 3.31Å; R851-E854 PolarHBondContact O-N 3.36Å; R851-V855 WeakPolarHBondContact O-CG2 3.36Å; R851-V855 PolarHBondContact O-N 3.01Å; R851-V855 VanDerWaalsContact O-N 3.15Å |
| 852 | F | 71.6 | Confident | 74.7 | Confident | 13 Ų | 13 | 78.5 Ų | 78.5 | 6% | 0.057 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 176.9 | -169.2 | -95.4 | 0 | 0 | 0 | 111.2 | Q848 M849 E850 V855 V856 A870 L908 L909 M912 | Q848-F852 WeakPolarHBondContact O-CB 3.29Å; Q848-F852 PolarHBondContact O-N 3.26Å; M849-F852 HydrophobicContact CE-CB 4.16Å; M849-F852 HydrophobicContact CE-CG 4.45Å; M849-F852 PolarHBondContact O-N 2.97Å; E850-F852 VanDerWaalsContact C-N 3.35Å; E850-F852 PolarHBondContact O-N 3.17Å; F852-V855 PolarHBondContact O-N 3.42Å; F852-V856 HydrophobicContact CD1-CG2 3.88Å; F852-V856 HydrophobicContact CE1-CG2 3.5Å; F852-V856 VanDerWaalsContact CE1-CG2 3.5Å; F852-V856 HydrophobicContact CZ-CG2 4.04Å; F852-V856 WeakPolarHBondContact O-CG2 3.32Å; F852-V856 PolarHBondContact O-N 3.34Å; F852-A870 HydrophobicContact CD1-CB 4.06Å; F852-A870 HydrophobicContact CE1-CB 4.2Å; F852-L908 HydrophobicContact CD1-CD2 4.19Å; F852-L908 HydrophobicContact CE1-CD2 3.51Å; F852-L908 HydrophobicContact CE1-CG 3.62Å; F852-L908 HydrophobicContact CZ-CB 4.46Å; F852-L908 HydrophobicContact CZ-CD2 4.13Å; F852-L908 HydrophobicContact CZ-CG 3.73Å; F852-L909 HydrophobicContact CD2-CD2 3.87Å; F852-L909 HydrophobicContact CD2-CG 4.11Å; F852-L909 HydrophobicContact CE2-CD2 3.66Å; F852-L909 HydrophobicContact CE2-CG 3.79Å; F852-M912 HydrophobicContact CE2-CB 4.29Å; F852-M912 HydrophobicContact CE2-CE 3.98Å; F852-M912 HydrophobicContact CE2-CG 4.41Å; F852-M912 HydrophobicContact CZ-CB 4.03Å; F852-M912 HydrophobicContact CZ-CG 4.3Å |
| 853 | N | 73.6 | Confident | 73.9 | Confident | 51 Ų | 51 | 82.5 Ų | 82.5 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.6 | -32 | 177.8 | -150.2 | 35.1 | 0 | 0 | 0 | 112.2 | M849 E850 R851 N857 | M849-N853 WeakPolarHBondContact O-CB 3.37Å; M849-N853 PolarHBondContact O-N 3.07Å; E850-N853 PolarHBondContact O-N 3.07Å; R851-N853 VanDerWaalsContact C-N 3.3Å; R851-N853 PolarHBondContact O-N 3.28Å; N853-N857 PolarHBondContact O-N 3.2Å; N853-N857 PolarHBondContact O-ND2 2.91Å |
| 854 | E | 74.1 | Confident | 73.3 | Confident | 137 Ų | 137 | 86 Ų | 86 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.6 | -48 | 168.7 | -66.9 | 168.4 | 164 | 0 | 0 | 111.2 | E850 R851 N857 | E850-E854 PolarHBondContact O-N 2.82Å; E850-E854 VanDerWaalsContact O-N 3.14Å; R851-E854 WeakPolarHBondContact CA-OE2 3.17Å; R851-E854 WeakPolarHBondContact O-CB 3.31Å; R851-E854 PolarHBondContact O-N 3.36Å; E854-N857 WeakPolarHBondContact O-CB 3.39Å; E854-N857 PolarHBondContact O-N 3.04Å |
| 855 | V | 70.6 | Confident | 72.8 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 179 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | R851 F852 N857 G858 M912 | R851-V855 WeakPolarHBondContact O-CG2 3.36Å; R851-V855 PolarHBondContact O-N 3.01Å; R851-V855 VanDerWaalsContact O-N 3.15Å; F852-V855 PolarHBondContact O-N 3.42Å; V855-N857 PolarHBondContact O-N 3.27Å; V855-G858 PolarHBondContact O-N 2.78Å; V855-M912 HydrophobicContact CG1-CE 4.35Å; V855-M912 HydrophobicContact CG1-SD 4.37Å |
| 856 | V | 72.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 177.5 | 168 | 0 | 0 | 0 | 0 | 112.2 | F852 G858 M866 A867 | F852-V856 HydrophobicContact CD1-CG2 3.88Å; F852-V856 HydrophobicContact CE1-CG2 3.5Å; F852-V856 VanDerWaalsContact CE1-CG2 3.5Å; F852-V856 HydrophobicContact CZ-CG2 4.04Å; F852-V856 WeakPolarHBondContact O-CG2 3.32Å; F852-V856 PolarHBondContact O-N 3.34Å; V856-G858 VanDerWaalsContact C-N 3.26Å; V856-G858 PolarHBondContact O-N 3.07Å; V856-M866 HydrophobicContact CG1-CB 3.86Å; V856-M866 HydrophobicContact CG2-CB 4.39Å; V856-A867 HydrophobicContact CG1-CB 3.99Å |
| 857 | N | 69.4 | Low | 71.8 | Confident | 86 Ų | 86 | 83 Ų | 83 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70 | -18.9 | 174.3 | -84.7 | -57.7 | 0 | 0 | 0 | 114.1 | N853 E854 V855 K863 | N853-N857 PolarHBondContact O-N 3.2Å; N853-N857 PolarHBondContact O-ND2 2.91Å; E854-N857 WeakPolarHBondContact O-CB 3.39Å; E854-N857 PolarHBondContact O-N 3.04Å; V855-N857 PolarHBondContact O-N 3.27Å; N857-K863 PolarHBondContact O-NZ 3.28Å |
| 858 | G | 67.4 | Low | 71.7 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -87.4 | -13.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V855 V856 | V855-G858 PolarHBondContact O-N 2.78Å; V856-G858 VanDerWaalsContact C-N 3.26Å; V856-G858 PolarHBondContact O-N 3.07Å |
| 859 | L | 68.3 | Low | 71.5 | Confident | 14 Ų | 14 | 81.5 Ų | 81.5 | 7% | 0.073 | 41% | 0.407 | C | S | . | . | trans | -69.5 | 144.6 | 179.2 | -67.5 | 168 | 0 | 0 | 0 | 111.6 | K863 M912 | L859-K863 WeakPolarHBondContact O-CD 3.41Å; L859-M912 HydrophobicContact CD1-CG 4.39Å | ||
| 860 | K | 62.1 | Low | 71.5 | Confident | 183 Ų | 183 | 81.1 Ų | 81.1 | 80% | 0.796 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -90.5 | -48.5 | 177.3 | -68.9 | 178.2 | -178.6 | 173.3 | 0 | 111.4 | E919 | K860-E919 PolarHBondContact N-OE1 2.92Š|
| 861 | E | 61 | Low | 71.7 | Confident | 158 Ų | 158 | 79.4 Ų | 79.4 | 74% | 0.738 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -100.7 | 152.8 | 179.4 | -64.1 | -170.7 | 175.6 | 0 | 0 | 112.4 | K863 | E861-K863 PolarHBondContact O-N 3.28Š|
| 862 | G | 64.9 | Low | 72 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 66.4 | 3.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q864 E865 M866 | G862-Q864 PolarHBondContact O-N 3.14Å; G862-E865 PolarHBondContact O-N 3.26Å; G862-M866 PolarHBondContact O-N 3.31Å |
| 863 | K | 68.7 | Low | 72.5 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -52.7 | -44.8 | -171.5 | 177.5 | 166.8 | 173.4 | 168.2 | 0 | 115 | N857 L859 E861 E865 M866 A867 | N857-K863 PolarHBondContact O-NZ 3.28Å; L859-K863 WeakPolarHBondContact O-CD 3.41Å; E861-K863 PolarHBondContact O-N 3.28Å; K863-E865 PolarHBondContact O-N 2.85Å; K863-M866 PolarHBondContact O-N 3.37Å; K863-A867 VanDerWaalsContact O-CB 3.23Å; K863-A867 WeakPolarHBondContact O-CB 3.1Å; K863-A867 PolarHBondContact O-N 3.25Å |
| 864 | Q | 71.2 | Confident | 72.9 | Confident | 179 Ų | 179 | 74.7 Ų | 74.7 | 84% | 0.836 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | -176.5 | -70.9 | -175.8 | -9.9 | 0 | 0 | 113 | G862 K868 | G862-Q864 PolarHBondContact O-N 3.14Å; Q864-K868 PolarHBondContact O-N 3.07Å; Q864-K868 VanDerWaalsContact O-N 3.14Å |
| 865 | E | 73.7 | Confident | 73.4 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -50.1 | 178.9 | 179.4 | -175.2 | -134.7 | 0 | 0 | 111 | G862 K863 A867 K868 Q869 K915 | G862-E865 PolarHBondContact O-N 3.26Å; K863-E865 PolarHBondContact O-N 2.85Å; E865-A867 PolarHBondContact O-N 3.44Å; E865-K868 PolarHBondContact O-N 3.49Å; E865-Q869 PolarHBondContact O-N 3.49Å; E865-K915 IonicContact OE2-NZ 3.72Å; E865-K915 PolarHBondContact OE2-NZ 2.86Å |
| 866 | M | 71 | Confident | 74.1 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.02 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.6 | -38.8 | -178.6 | -61.2 | -59.9 | -65.1 | 0 | 0 | 112 | V856 G862 K863 K868 Q869 A870 L908 M912 | V856-M866 HydrophobicContact CG1-CB 3.86Å; V856-M866 HydrophobicContact CG2-CB 4.39Å; G862-M866 PolarHBondContact O-N 3.31Å; K863-M866 PolarHBondContact O-N 3.37Å; M866-K868 VanDerWaalsContact C-N 3.35Å; M866-K868 PolarHBondContact O-N 2.98Å; M866-Q869 PolarHBondContact O-N 3.42Å; M866-A870 WeakPolarHBondContact O-CB 3.26Å; M866-A870 PolarHBondContact O-N 2.92Å; M866-L908 HydrophobicContact CE-CD1 3.7Å; M866-L908 HydrophobicContact CE-CG 4.39Å; M866-L908 HydrophobicContact SD-CD1 4.46Å; M866-M912 HydrophobicContact CE-CB 3.78Å |
| 867 | A | 75.8 | Confident | 74.6 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 20% | 0.198 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V856 K863 E865 T871 | V856-A867 HydrophobicContact CG1-CB 3.99Å; K863-A867 VanDerWaalsContact O-CB 3.23Å; K863-A867 WeakPolarHBondContact O-CB 3.1Å; K863-A867 PolarHBondContact O-N 3.25Å; E865-A867 PolarHBondContact O-N 3.44Å; A867-T871 WeakPolarHBondContact O-CB 3.46Å; A867-T871 WeakPolarHBondContact O-CG2 3.37Å; A867-T871 PolarHBondContact O-N 3.23Å; A867-T871 PolarHBondContact O-OG1 3.21Å |
| 868 | K | 80.1 | Confident | 75.4 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.2 | -49.4 | 174.2 | -172.5 | 178.3 | 176.4 | -175.9 | 0 | 111.2 | Q864 E865 M866 A870 T871 E872 | Q864-K868 PolarHBondContact O-N 3.07Å; Q864-K868 VanDerWaalsContact O-N 3.14Å; E865-K868 PolarHBondContact O-N 3.49Å; M866-K868 VanDerWaalsContact C-N 3.35Å; M866-K868 PolarHBondContact O-N 2.98Å; K868-A870 PolarHBondContact O-N 2.93Å; K868-T871 PolarHBondContact O-N 3Å; K868-T871 PolarHBondContact O-OG1 3.02Å; K868-T871 VanDerWaalsContact O-OG1 3.12Å; K868-E872 WeakPolarHBondContact CE-OE1 3.37Å; K868-E872 WeakPolarHBondContact CG-OE1 3.34Å; K868-E872 WeakPolarHBondContact O-CB 3.22Å; K868-E872 WeakPolarHBondContact O-CG 3.44Å; K868-E872 PolarHBondContact O-N 3.43Å |
| 869 | Q | 76.5 | Confident | 76.3 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 179 | -65.2 | 179.2 | 18.2 | 0 | 0 | 112.3 | E865 M866 L873 L908 | E865-Q869 PolarHBondContact O-N 3.49Å; M866-Q869 PolarHBondContact O-N 3.42Å; Q869-L873 WeakPolarHBondContact O-CB 3.2Å; Q869-L873 PolarHBondContact O-N 3.49Å; Q869-L908 HydrophobicContact CB-CD1 3.71Å; Q869-L908 HydrophobicContact CB-CD2 4.38Å; Q869-L908 VanDerWaalsContact OE1-CD1 3.26Å |
| 870 | A | 78 | Confident | 77 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F852 M866 K868 L873 A874 L908 | F852-A870 HydrophobicContact CD1-CB 4.06Å; F852-A870 HydrophobicContact CE1-CB 4.2Å; M866-A870 WeakPolarHBondContact O-CB 3.26Å; M866-A870 PolarHBondContact O-N 2.92Å; K868-A870 PolarHBondContact O-N 2.93Å; A870-L873 PolarHBondContact O-N 3.44Å; A870-A874 WeakPolarHBondContact O-CB 3.37Å; A870-A874 PolarHBondContact O-N 3.23Å; A870-L908 HydrophobicContact CB-CD2 4.27Å |
| 871 | T | 80.9 | Confident | 78 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.5 | -31.4 | 180 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | A867 K868 K875 | A867-T871 WeakPolarHBondContact O-CB 3.46Å; A867-T871 WeakPolarHBondContact O-CG2 3.37Å; A867-T871 PolarHBondContact O-N 3.23Å; A867-T871 PolarHBondContact O-OG1 3.21Å; K868-T871 PolarHBondContact O-N 3Å; K868-T871 PolarHBondContact O-OG1 3.02Å; K868-T871 VanDerWaalsContact O-OG1 3.12Å; T871-K875 VanDerWaalsContact O-CG 3.31Å; T871-K875 WeakPolarHBondContact O-CG 3.39Å; T871-K875 PolarHBondContact O-N 3.18Å; T871-K875 VanDerWaalsContact O-N 3.1Å |
| 872 | E | 82.1 | Confident | 79.1 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 169.1 | -74.5 | 174.5 | -169.2 | 0 | 0 | 111.7 | K868 K875 A876 | K868-E872 WeakPolarHBondContact CE-OE1 3.37Å; K868-E872 WeakPolarHBondContact CG-OE1 3.34Å; K868-E872 WeakPolarHBondContact O-CB 3.22Å; K868-E872 WeakPolarHBondContact O-CG 3.44Å; K868-E872 PolarHBondContact O-N 3.43Å; E872-K875 PolarHBondContact O-N 3.01Å; E872-A876 PolarHBondContact O-N 2.94Å; E872-A876 VanDerWaalsContact O-N 3.08Å |
| 873 | L | 81.3 | Confident | 80 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 176.7 | -173.5 | 58.1 | 0 | 0 | 0 | 112.2 | M849 Q869 A870 K875 A876 V877 L901 R904 L908 | M849-L873 HydrophobicContact SD-CD2 3.58Å; M849-L873 VanDerWaalsContact SD-CD2 3.58Å; M849-L873 HydrophobicContact SD-CG 3.88Å; Q869-L873 WeakPolarHBondContact O-CB 3.2Å; Q869-L873 PolarHBondContact O-N 3.49Å; A870-L873 PolarHBondContact O-N 3.44Å; L873-K875 PolarHBondContact O-N 3.47Å; L873-A876 WeakPolarHBondContact O-CB 3.28Å; L873-A876 PolarHBondContact O-N 3.34Å; L873-V877 WeakPolarHBondContact O-CG2 3.16Å; L873-V877 PolarHBondContact O-N 3.21Å; L873-L901 HydrophobicContact CD1-CD2 3.89Å; L873-R904 HydrophobicContact CD1-CB 3.83Å; L873-R904 HydrophobicContact CD2-CB 4.38Å; L873-L908 HydrophobicContact CD2-CD2 4.16Å |
| 874 | A | 82.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A870 A876 V877 D878 | A870-A874 WeakPolarHBondContact O-CB 3.37Å; A870-A874 PolarHBondContact O-N 3.23Å; A874-A876 VanDerWaalsContact C-N 3.3Å; A874-A876 PolarHBondContact O-N 3.03Å; A874-V877 PolarHBondContact O-N 3.14Å; A874-D878 PolarHBondContact O-N 2.89Å |
| 875 | K | 85.1 | Confident | 81 | Confident | 150 Ų | 150 | 55.3 Ų | 55.3 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.6 | -39.1 | 173.4 | -74.8 | 170.9 | -178.9 | 175.7 | 0 | 112.1 | T871 E872 L873 D878 A879 | T871-K875 VanDerWaalsContact O-CG 3.31Å; T871-K875 WeakPolarHBondContact O-CG 3.39Å; T871-K875 PolarHBondContact O-N 3.18Å; T871-K875 VanDerWaalsContact O-N 3.1Å; E872-K875 PolarHBondContact O-N 3.01Å; L873-K875 PolarHBondContact O-N 3.47Å; K875-D878 PolarHBondContact O-N 2.8Å; K875-A879 WeakPolarHBondContact O-CB 3.26Å; K875-A879 PolarHBondContact O-N 3.2Å |
| 876 | A | 84.2 | Confident | 81.3 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | E872 L873 A874 A879 L880 L901 | E872-A876 PolarHBondContact O-N 2.94Å; E872-A876 VanDerWaalsContact O-N 3.08Å; L873-A876 WeakPolarHBondContact O-CB 3.28Å; L873-A876 PolarHBondContact O-N 3.34Å; A874-A876 VanDerWaalsContact C-N 3.3Å; A874-A876 PolarHBondContact O-N 3.03Å; A876-A879 PolarHBondContact O-N 3.39Å; A876-L880 PolarHBondContact O-N 3.5Å; A876-L880 VanDerWaalsContact O-N 3.07Å; A876-L901 HydrophobicContact CB-CD2 3.66Å |
| 877 | V | 83.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | V842 L845 K846 M849 L873 A874 L880 L881 L901 | V842-V877 HydrophobicContact CG1-CG1 3.98Å; L845-V877 HydrophobicContact CD2-CG2 4.03Å; L845-V877 HydrophobicContact CG-CG2 4.2Å; K846-V877 HydrophobicContact CB-CG1 3.8Å; M849-V877 HydrophobicContact CG-CG2 4.36Å; L873-V877 WeakPolarHBondContact O-CG2 3.16Å; L873-V877 PolarHBondContact O-N 3.21Å; A874-V877 PolarHBondContact O-N 3.14Å; V877-L880 PolarHBondContact O-N 3.32Å; V877-L881 WeakPolarHBondContact O-CB 3.38Å; V877-L881 PolarHBondContact O-N 2.94Å; V877-L901 HydrophobicContact CG2-CD1 4.07Å |
| 878 | D | 85.4 | Confident | 81.1 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 176.1 | -88 | -43.2 | 0 | 0 | 0 | 112.6 | K846 A874 K875 L881 A882 | K846-D878 WeakPolarHBondContact CD-OD1 3.26Å; K846-D878 IonicContact NZ-OD1 3.9Å; K846-D878 PolarHBondContact NZ-OD1 2.87Å; K846-D878 IonicContact NZ-OD2 3.34Å; K846-D878 PolarHBondContact NZ-OD2 2.88Å; A874-D878 PolarHBondContact O-N 2.89Å; K875-D878 PolarHBondContact O-N 2.8Å; D878-L881 PolarHBondContact O-N 2.74Å; D878-A882 WeakPolarHBondContact O-CB 3.48Å; D878-A882 PolarHBondContact O-N 2.85Å |
| 879 | A | 85.5 | Confident | 80.6 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K875 A876 A882 K883 | K875-A879 WeakPolarHBondContact O-CB 3.26Å; K875-A879 PolarHBondContact O-N 3.2Å; A876-A879 PolarHBondContact O-N 3.39Å; A879-A882 PolarHBondContact O-N 2.74Å; A879-K883 WeakPolarHBondContact O-CB 3.43Å; A879-K883 PolarHBondContact O-N 3.12Å |
| 880 | L | 83.6 | Confident | 80.6 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.7 | 179.2 | 59.4 | 0 | 0 | 0 | 111.7 | V842 A876 V877 A882 K883 I884 M889 E897 L901 | V842-L880 HydrophobicContact CG1-CD2 4.37Å; V842-L880 HydrophobicContact CG1-CG 4.39Å; V842-L880 HydrophobicContact CG2-CD2 3.7Å; V842-L880 HydrophobicContact CG2-CG 4.08Å; A876-L880 PolarHBondContact O-N 3.5Å; A876-L880 VanDerWaalsContact O-N 3.07Å; V877-L880 PolarHBondContact O-N 3.32Å; L880-A882 VanDerWaalsContact C-N 3.34Å; L880-A882 PolarHBondContact O-N 2.92Å; L880-K883 HydrophobicContact CD1-CD 4.5Å; L880-K883 WeakPolarHBondContact O-CB 3.06Å; L880-K883 PolarHBondContact O-N 3.24Å; L880-I884 HydrophobicContact CD1-CD1 3.86Å; L880-I884 HydrophobicContact CD1-CG1 4.07Å; L880-I884 HydrophobicContact CG-CD1 3.84Å; L880-I884 HydrophobicContact CG-CG1 4.47Å; L880-I884 VanDerWaalsContact O-CG1 3.28Å; L880-I884 WeakPolarHBondContact O-CG1 3.2Å; L880-I884 PolarHBondContact O-N 3.24Å; L880-M889 HydrophobicContact CD1-CE 4.42Å; L880-E897 HydrophobicContact CD1-CB 3.79Å; L880-E897 HydrophobicContact CD2-CB 4.1Å; L880-L901 HydrophobicContact CB-CD1 4.11Å; L880-L901 HydrophobicContact CD2-CD1 3.6Å |
| 881 | L | 83.8 | Confident | 80.5 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.5 | -151.8 | 165 | 0 | 0 | 0 | 111.1 | L839 V842 Q843 V877 D878 K885 | L839-L881 HydrophobicContact CD2-CD2 4.07Å; L839-L881 HydrophobicContact CD2-CG 4.39Å; V842-L881 HydrophobicContact CG1-CB 3.92Å; V842-L881 HydrophobicContact CG1-CD1 4.27Å; V842-L881 HydrophobicContact CG1-CG 4.13Å; Q843-L881 HydrophobicContact CB-CD1 4.31Å; V877-L881 WeakPolarHBondContact O-CB 3.38Å; V877-L881 PolarHBondContact O-N 2.94Å; D878-L881 PolarHBondContact O-N 2.74Å; L881-K885 HydrophobicContact CD2-CD 3.83Å; L881-K885 HydrophobicContact CD2-CG 4.41Å; L881-K885 WeakPolarHBondContact O-CG 3.49Å; L881-K885 PolarHBondContact O-N 3.32Å; L881-K885 VanDerWaalsContact O-N 3.16Å |
| 882 | A | 83.8 | Confident | 80.3 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D878 A879 L880 I884 K885 A886 | D878-A882 WeakPolarHBondContact O-CB 3.48Å; D878-A882 PolarHBondContact O-N 2.85Å; A879-A882 PolarHBondContact O-N 2.74Å; L880-A882 VanDerWaalsContact C-N 3.34Å; L880-A882 PolarHBondContact O-N 2.92Å; A882-I884 PolarHBondContact O-N 3.24Å; A882-K885 CarbonylContact O-C 3.54Å; A882-K885 WeakPolarHBondContact O-CA 3.5Å; A882-K885 WeakPolarHBondContact O-CB 3.25Å; A882-K885 PolarHBondContact O-N 3.27Å; A882-A886 PolarHBondContact O-N 3.06Å |
| 883 | K | 82.6 | Confident | 80.2 | Confident | 88 Ų | 88 | 68.6 Ų | 68.6 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 177.6 | -161.5 | -172.9 | -167.2 | -173.7 | 0 | 112 | A879 L880 K885 A886 M887 M889 E897 | A879-K883 WeakPolarHBondContact O-CB 3.43Å; A879-K883 PolarHBondContact O-N 3.12Å; L880-K883 HydrophobicContact CD1-CD 4.5Å; L880-K883 WeakPolarHBondContact O-CB 3.06Å; L880-K883 PolarHBondContact O-N 3.24Å; K883-K885 VanDerWaalsContact C-N 3.32Å; K883-K885 PolarHBondContact O-N 2.95Å; K883-A886 PolarHBondContact O-N 2.97Å; K883-M887 WeakPolarHBondContact O-CB 3.37Å; K883-M887 PolarHBondContact O-N 3.15Å; K883-M889 HydrophobicContact CB-SD 4.31Å; K883-M889 HydrophobicContact CD-CE 4.03Å; K883-M889 HydrophobicContact CD-SD 3.87Å; K883-M889 HydrophobicContact CG-SD 3.78Å; K883-E897 IonicContact NZ-OE1 2.75Å; K883-E897 PolarHBondContact NZ-OE1 3.13Å; K883-E897 IonicContact NZ-OE2 2.66Å; K883-E897 PolarHBondContact NZ-OE2 3.18Å |
| 884 | I | 81.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.7 | -28.2 | 176.5 | -60 | 164.2 | 0 | 0 | 0 | 111.7 | R835 L839 V842 L880 A882 M889 I894 | R835-I884 HydrophobicContact CG-CG2 3.89Å; R835-I884 VanDerWaalsContact CZ-O 3.23Å; R835-I884 PolarHBondContact NE-O 2.81Å; R835-I884 PolarHBondContact NH2-O 2.69Å; L839-I884 HydrophobicContact CD1-CG2 4.42Å; L839-I884 HydrophobicContact CD2-CB 3.97Å; L839-I884 HydrophobicContact CD2-CG2 3.69Å; L839-I884 HydrophobicContact CG-CG2 3.69Å; V842-I884 HydrophobicContact CG2-CD1 3.83Å; L880-I884 HydrophobicContact CD1-CD1 3.86Å; L880-I884 HydrophobicContact CD1-CG1 4.07Å; L880-I884 HydrophobicContact CG-CD1 3.84Å; L880-I884 HydrophobicContact CG-CG1 4.47Å; L880-I884 VanDerWaalsContact O-CG1 3.28Å; L880-I884 WeakPolarHBondContact O-CG1 3.2Å; L880-I884 PolarHBondContact O-N 3.24Å; A882-I884 PolarHBondContact O-N 3.24Å; I884-M889 HydrophobicContact CG1-SD 3.87Å; I884-I894 HydrophobicContact CD1-CG1 4.27Å; I884-I894 HydrophobicContact CD1-CG2 3.77Å; I884-I894 HydrophobicContact CG1-CD1 4.38Å; I884-I894 HydrophobicContact CG1-CG1 4.14Å; I884-I894 HydrophobicContact CG2-CD1 4.16Å |
| 885 | K | 80.9 | Confident | 80.2 | Confident | 136 Ų | 136 | 68.3 Ų | 68.3 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -76.8 | -31.8 | 173.2 | -78.6 | 175.4 | 174.4 | 173.7 | 0 | 113.8 | R835 L839 L881 A882 K883 | R835-K885 PolarHBondContact NH2-O 3.03Å; L839-K885 HydrophobicContact CD2-CG 4.06Å; L881-K885 HydrophobicContact CD2-CD 3.83Å; L881-K885 HydrophobicContact CD2-CG 4.41Å; L881-K885 WeakPolarHBondContact O-CG 3.49Å; L881-K885 PolarHBondContact O-N 3.32Å; L881-K885 VanDerWaalsContact O-N 3.16Å; A882-K885 CarbonylContact O-C 3.54Å; A882-K885 WeakPolarHBondContact O-CA 3.5Å; A882-K885 WeakPolarHBondContact O-CB 3.25Å; A882-K885 PolarHBondContact O-N 3.27Å; K883-K885 VanDerWaalsContact C-N 3.32Å; K883-K885 PolarHBondContact O-N 2.95Å |
| 886 | A | 79.7 | Confident | 80.1 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 74% | 0.736 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -84.5 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A882 K883 | A882-A886 PolarHBondContact O-N 3.06Å; K883-A886 PolarHBondContact O-N 2.97Å |
| 887 | M | 74.3 | Confident | 80 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -108.2 | 152.6 | -168 | -161.2 | 176.9 | -171.2 | 0 | 0 | 113 | K883 M889 | K883-M887 WeakPolarHBondContact O-CB 3.37Å; K883-M887 PolarHBondContact O-N 3.15Å; M887-M889 HydrophobicContact CB-CG 4.29Å; M887-M889 HydrophobicContact CG-CG 4.5Å; M887-M889 PolarHBondContact O-N 3.14Å |
| 888 | V | 67 | Low | 80.1 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 73% | 0.733 | 37% | 0.373 | S | S | * | . | trans | -86.2 | 84.1 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 889 | M | 71.1 | Confident | 80 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | trans | -85.2 | 147.6 | 176.2 | -62.3 | 173.6 | 69.7 | 0 | 0 | 111.8 | L880 K883 I884 M887 Q893 I894 E897 | L880-M889 HydrophobicContact CD1-CE 4.42Å; K883-M889 HydrophobicContact CB-SD 4.31Å; K883-M889 HydrophobicContact CD-CE 4.03Å; K883-M889 HydrophobicContact CD-SD 3.87Å; K883-M889 HydrophobicContact CG-SD 3.78Å; I884-M889 HydrophobicContact CG1-SD 3.87Å; M887-M889 HydrophobicContact CB-CG 4.29Å; M887-M889 HydrophobicContact CG-CG 4.5Å; M887-M889 PolarHBondContact O-N 3.14Å; M889-Q893 HydrophobicContact CE-CB 4.08Å; M889-I894 HydrophobicContact CB-CD1 4.07Å; M889-I894 HydrophobicContact CB-CG1 3.7Å; M889-I894 HydrophobicContact CE-CG1 4.34Å; M889-E897 WeakPolarHBondContact CE-OE1 3.44Å | ||
| 890 | T | 75.8 | Confident | 80 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | trans | -79.6 | 158.4 | 173 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | K892 Q893 I894 | T890-K892 VanDerWaalsContact C-N 3.28Å; T890-K892 PolarHBondContact O-N 2.79Å; T890-Q893 PolarHBondContact O-N 2.79Å; T890-Q893 VanDerWaalsContact O-N 3.12Å; T890-Q893 VanDerWaalsContact OG1-CD 3.31Å; T890-Q893 WeakPolarHBondContact OG1-CG 3.27Å; T890-Q893 PolarHBondContact OG1-OE1 2.98Å; T890-I894 WeakPolarHBondContact O-CG1 3.38Å; T890-I894 PolarHBondContact O-N 2.86Å | ||
| 891 | W | 75.7 | Confident | 80.1 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -53 | -43.6 | 178.8 | -178 | -109.1 | 0 | 0 | 0 | 113 | P834 E837 K841 Q893 I894 D895 | P834-W891 HydrophobicContact CB-CB 4.14Å; P834-W891 HydrophobicContact CB-CE3 3.96Å; E837-W891 HydrophobicContact CB-CH2 4.05Å; E837-W891 HydrophobicContact CB-CZ3 3.71Å; K841-W891 HydrophobicContact CD-CH2 4.01Å; K841-W891 VanDerWaalsContact NZ-CZ2 3.27Å; W891-Q893 PolarHBondContact O-N 2.91Å; W891-I894 PolarHBondContact O-N 2.82Å; W891-D895 WeakPolarHBondContact O-CB 3.36Å; W891-D895 PolarHBondContact O-N 2.98Å |
| 892 | K | 78.2 | Confident | 80.1 | Confident | 170 Ų | 170 | 71 Ų | 71 | 74% | 0.739 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 179.2 | -69 | -170.8 | 176.1 | -173.2 | 0 | 112.1 | T890 D895 T896 | T890-K892 VanDerWaalsContact C-N 3.28Å; T890-K892 PolarHBondContact O-N 2.79Å; K892-D895 PolarHBondContact O-N 2.82Å; K892-T896 WeakPolarHBondContact O-CB 3.24Å; K892-T896 PolarHBondContact O-N 3.26Å; K892-T896 PolarHBondContact O-OG1 3.03Å |
| 893 | Q | 79.3 | Confident | 80.2 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.6 | -69.9 | 160.8 | -44.7 | 0 | 0 | 111.6 | M889 T890 W891 E897 | M889-Q893 HydrophobicContact CE-CB 4.08Å; T890-Q893 PolarHBondContact O-N 2.79Å; T890-Q893 VanDerWaalsContact O-N 3.12Å; T890-Q893 VanDerWaalsContact OG1-CD 3.31Å; T890-Q893 WeakPolarHBondContact OG1-CG 3.27Å; T890-Q893 PolarHBondContact OG1-OE1 2.98Å; W891-Q893 PolarHBondContact O-N 2.91Å; Q893-E897 WeakPolarHBondContact O-CG 3.29Å; Q893-E897 PolarHBondContact O-N 2.77Å; Q893-E897 VanDerWaalsContact O-N 3.1Å |
| 894 | I | 80.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177 | -62.9 | 174 | 0 | 0 | 0 | 110.8 | I884 M889 T890 W891 Y898 | I884-I894 HydrophobicContact CD1-CG1 4.27Å; I884-I894 HydrophobicContact CD1-CG2 3.77Å; I884-I894 HydrophobicContact CG1-CD1 4.38Å; I884-I894 HydrophobicContact CG1-CG1 4.14Å; I884-I894 HydrophobicContact CG2-CD1 4.16Å; M889-I894 HydrophobicContact CB-CD1 4.07Å; M889-I894 HydrophobicContact CB-CG1 3.7Å; M889-I894 HydrophobicContact CE-CG1 4.34Å; T890-I894 WeakPolarHBondContact O-CG1 3.38Å; T890-I894 PolarHBondContact O-N 2.86Å; W891-I894 PolarHBondContact O-N 2.82Å; I894-Y898 WeakPolarHBondContact O-CB 3.3Å; I894-Y898 PolarHBondContact O-N 3.35Å |
| 895 | D | 81.9 | Confident | 80.1 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 19% | 0.187 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.8 | -39.6 | -176.7 | -150 | 63.5 | 0 | 0 | 0 | 111.7 | K841 W891 K892 Y898 Q899 | K841-D895 IonicContact NZ-OD1 2.73Å; K841-D895 PolarHBondContact NZ-OD1 3.39Å; W891-D895 WeakPolarHBondContact O-CB 3.36Å; W891-D895 PolarHBondContact O-N 2.98Å; K892-D895 PolarHBondContact O-N 2.82Å; D895-Y898 PolarHBondContact O-N 2.85Å; D895-Q899 WeakPolarHBondContact O-CB 3.43Å; D895-Q899 WeakPolarHBondContact O-CG 3.33Å; D895-Q899 PolarHBondContact O-N 2.83Å |
| 896 | T | 84.5 | Confident | 80.1 | Confident | 99 Ų | 99 | 77 Ų | 77 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | K892 Y898 A900 | K892-T896 WeakPolarHBondContact O-CB 3.24Å; K892-T896 PolarHBondContact O-N 3.26Å; K892-T896 PolarHBondContact O-OG1 3.03Å; T896-Y898 VanDerWaalsContact C-N 3.35Å; T896-A900 WeakPolarHBondContact O-CB 3.21Å; T896-A900 PolarHBondContact O-N 2.64Å; T896-A900 VanDerWaalsContact O-N 3.09Å |
| 897 | E | 81.7 | Confident | 80.2 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 176.2 | -70.4 | -176.1 | -129 | 0 | 0 | 111.9 | L880 K883 M889 Q893 L901 | L880-E897 HydrophobicContact CD1-CB 3.79Å; L880-E897 HydrophobicContact CD2-CB 4.1Å; K883-E897 IonicContact NZ-OE1 2.75Å; K883-E897 PolarHBondContact NZ-OE1 3.13Å; K883-E897 IonicContact NZ-OE2 2.66Å; K883-E897 PolarHBondContact NZ-OE2 3.18Å; M889-E897 WeakPolarHBondContact CE-OE1 3.44Å; Q893-E897 WeakPolarHBondContact O-CG 3.29Å; Q893-E897 PolarHBondContact O-N 2.77Å; Q893-E897 VanDerWaalsContact O-N 3.1Å; E897-L901 WeakPolarHBondContact O-CG 3.29Å; E897-L901 PolarHBondContact O-N 3.04Å |
| 898 | Y | 85.4 | Confident | 80.4 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -49.2 | 173.3 | 175.1 | -97.5 | 0 | 0 | 0 | 112.4 | K841 V842 L845 I894 D895 T896 A900 L901 V902 | K841-Y898 HydrophobicContact CB-CD2 4.16Å; K841-Y898 HydrophobicContact CB-CE2 3.88Å; K841-Y898 HydrophobicContact CD-CD1 4.48Å; K841-Y898 HydrophobicContact CD-CE1 4.45Å; K841-Y898 WeakPolarHBondContact O-CE2 3.44Å; V842-Y898 HydrophobicContact CG2-CD2 3.97Å; L845-Y898 HydrophobicContact CB-CE2 3.92Å; L845-Y898 HydrophobicContact CD2-CD2 4.21Å; L845-Y898 HydrophobicContact CD2-CE2 3.97Å; I894-Y898 WeakPolarHBondContact O-CB 3.3Å; I894-Y898 PolarHBondContact O-N 3.35Å; D895-Y898 PolarHBondContact O-N 2.85Å; T896-Y898 VanDerWaalsContact C-N 3.35Å; Y898-A900 VanDerWaalsContact C-N 3.28Å; Y898-A900 PolarHBondContact O-N 3.45Å; Y898-L901 PolarHBondContact O-N 2.76Å; Y898-V902 HydrophobicContact CD1-CG2 3.97Å; Y898-V902 HydrophobicContact CD2-CG2 4.47Å; Y898-V902 HydrophobicContact CE1-CG2 3.49Å; Y898-V902 VanDerWaalsContact CE1-CG2 3.49Å; Y898-V902 HydrophobicContact CE2-CG2 4.08Å; Y898-V902 HydrophobicContact CG-CG2 4.43Å; Y898-V902 WeakPolarHBondContact O-CG2 3.4Å; Y898-V902 PolarHBondContact O-N 2.94Å |
| 899 | Q | 84.9 | Confident | 80.8 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 179.5 | -68.4 | -71.3 | 4.6 | 0 | 0 | 111.9 | D895 L901 V902 K903 | D895-Q899 WeakPolarHBondContact O-CB 3.43Å; D895-Q899 WeakPolarHBondContact O-CG 3.33Å; D895-Q899 PolarHBondContact O-N 2.83Å; Q899-L901 VanDerWaalsContact C-N 3.3Å; Q899-L901 PolarHBondContact O-N 3.36Å; Q899-V902 PolarHBondContact O-N 2.91Å; Q899-K903 WeakPolarHBondContact O-CB 3.19Å; Q899-K903 PolarHBondContact O-N 3.15Å |
| 900 | A | 85 | Confident | 81.2 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T896 Y898 R904 | T896-A900 WeakPolarHBondContact O-CB 3.21Å; T896-A900 PolarHBondContact O-N 2.64Å; T896-A900 VanDerWaalsContact O-N 3.09Å; Y898-A900 VanDerWaalsContact C-N 3.28Å; Y898-A900 PolarHBondContact O-N 3.45Å; A900-R904 WeakPolarHBondContact O-CG 3.39Å; A900-R904 PolarHBondContact O-N 3.43Å |
| 901 | L | 84.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 70.6 Ų | 70.6 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -78.9 | -38.1 | 174.5 | -64.9 | 172 | 0 | 0 | 0 | 112.3 | L845 L873 A876 V877 L880 E897 Y898 Q899 R904 S905 | L845-L901 HydrophobicContact CD2-CB 3.89Å; L873-L901 HydrophobicContact CD1-CD2 3.89Å; A876-L901 HydrophobicContact CB-CD2 3.66Å; V877-L901 HydrophobicContact CG2-CD1 4.07Å; L880-L901 HydrophobicContact CB-CD1 4.11Å; L880-L901 HydrophobicContact CD2-CD1 3.6Å; E897-L901 WeakPolarHBondContact O-CG 3.29Å; E897-L901 PolarHBondContact O-N 3.04Å; Y898-L901 PolarHBondContact O-N 2.76Å; Q899-L901 VanDerWaalsContact C-N 3.3Å; Q899-L901 PolarHBondContact O-N 3.36Å; L901-R904 PolarHBondContact O-N 3.41Å; L901-S905 PolarHBondContact O-N 2.91Å |
| 902 | V | 84.6 | Confident | 81 | Confident | 19 Ų | 19 | 67 Ų | 67 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 173.7 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | L845 Y898 Q899 R904 S905 E906 | L845-V902 HydrophobicContact CD1-CG2 4.42Å; L845-V902 HydrophobicContact CD2-CG2 4.08Å; Y898-V902 HydrophobicContact CD1-CG2 3.97Å; Y898-V902 HydrophobicContact CD2-CG2 4.47Å; Y898-V902 HydrophobicContact CE1-CG2 3.49Å; Y898-V902 VanDerWaalsContact CE1-CG2 3.49Å; Y898-V902 HydrophobicContact CE2-CG2 4.08Å; Y898-V902 HydrophobicContact CG-CG2 4.43Å; Y898-V902 WeakPolarHBondContact O-CG2 3.4Å; Y898-V902 PolarHBondContact O-N 2.94Å; Q899-V902 PolarHBondContact O-N 2.91Å; V902-R904 VanDerWaalsContact C-N 3.28Å; V902-R904 PolarHBondContact O-N 3.29Å; V902-S905 CarbonylContact O-C 3.55Å; V902-S905 WeakPolarHBondContact O-CA 3.38Å; V902-S905 VanDerWaalsContact O-CB 3.26Å; V902-S905 WeakPolarHBondContact O-CB 3.22Å; V902-S905 PolarHBondContact O-N 3.17Å; V902-E906 HydrophobicContact CG1-CG 4.24Å; V902-E906 WeakPolarHBondContact CG1-OE1 3.5Å; V902-E906 WeakPolarHBondContact O-CG 3.32Å; V902-E906 PolarHBondContact O-N 3.26Å |
| 903 | K | 84.9 | Confident | 80.7 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.8 | -36.6 | 178.8 | -170.8 | 170.4 | -176.8 | 174.4 | 0 | 112.8 | Q899 Q907 | Q899-K903 WeakPolarHBondContact O-CB 3.19Å; Q899-K903 PolarHBondContact O-N 3.15Å; K903-Q907 VanDerWaalsContact O-CG 3.25Å; K903-Q907 WeakPolarHBondContact O-CG 3.24Å; K903-Q907 PolarHBondContact O-N 2.89Å; K903-Q907 VanDerWaalsContact O-N 3.08Å; K903-Q907 PolarHBondContact O-OE1 3.21Å |
| 904 | R | 82.1 | Confident | 80.5 | Confident | 149 Ų | 149 | 65.4 Ų | 65.4 | 56% | 0.562 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 172.2 | -71.6 | 174.4 | -177.1 | -169.3 | 0.7 | 112.1 | L873 A900 L901 V902 Q907 L908 | L873-R904 HydrophobicContact CD1-CB 3.83Å; L873-R904 HydrophobicContact CD2-CB 4.38Å; A900-R904 WeakPolarHBondContact O-CG 3.39Å; A900-R904 PolarHBondContact O-N 3.43Å; L901-R904 PolarHBondContact O-N 3.41Å; V902-R904 VanDerWaalsContact C-N 3.28Å; V902-R904 PolarHBondContact O-N 3.29Å; R904-Q907 PolarHBondContact O-N 2.86Å; R904-L908 WeakPolarHBondContact O-CB 3.22Å; R904-L908 PolarHBondContact O-N 3.49Å |
| 905 | S | 81 | Confident | 79.9 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | M849 L901 V902 L908 L909 | M849-S905 WeakPolarHBondContact CE-OG 3.28Å; L901-S905 PolarHBondContact O-N 2.91Å; V902-S905 CarbonylContact O-C 3.55Å; V902-S905 WeakPolarHBondContact O-CA 3.38Å; V902-S905 VanDerWaalsContact O-CB 3.26Å; V902-S905 WeakPolarHBondContact O-CB 3.22Å; V902-S905 PolarHBondContact O-N 3.17Å; S905-L908 PolarHBondContact O-N 3.5Å; S905-L909 WeakPolarHBondContact O-CB 3.14Å; S905-L909 WeakPolarHBondContact O-CG 3.41Å; S905-L909 PolarHBondContact O-N 2.83Å |
| 906 | E | 81.1 | Confident | 79.3 | Confident | 112 Ų | 112 | 71 Ų | 71 | 52% | 0.523 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 179.3 | -70.6 | 168.1 | 161.8 | 0 | 0 | 111.5 | V902 L908 L909 A910 | V902-E906 HydrophobicContact CG1-CG 4.24Å; V902-E906 WeakPolarHBondContact CG1-OE1 3.5Å; V902-E906 WeakPolarHBondContact O-CG 3.32Å; V902-E906 PolarHBondContact O-N 3.26Å; E906-L908 VanDerWaalsContact C-N 3.33Å; E906-L908 PolarHBondContact O-N 2.99Å; E906-L909 PolarHBondContact O-N 3.39Å; E906-A910 WeakPolarHBondContact O-CB 3.48Å; E906-A910 PolarHBondContact O-N 3.19Å |
| 907 | Q | 81.8 | Confident | 78.5 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 173 | -73.4 | 171.9 | -38 | 0 | 0 | 112.1 | K903 R904 A910 S911 | K903-Q907 VanDerWaalsContact O-CG 3.25Å; K903-Q907 WeakPolarHBondContact O-CG 3.24Å; K903-Q907 PolarHBondContact O-N 2.89Å; K903-Q907 VanDerWaalsContact O-N 3.08Å; K903-Q907 PolarHBondContact O-OE1 3.21Å; R904-Q907 PolarHBondContact O-N 2.86Å; Q907-A910 PolarHBondContact O-N 3.41Å; Q907-S911 PolarHBondContact O-N 3.28Å; Q907-S911 VanDerWaalsContact O-N 3.14Å; Q907-S911 PolarHBondContact O-OG 3.08Å |
| 908 | L | 78.6 | Confident | 77.8 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72 | -32.4 | 177.9 | -169.1 | 63.8 | 0 | 0 | 0 | 112.9 | F852 M866 Q869 A870 L873 R904 S905 E906 S911 M912 | F852-L908 HydrophobicContact CD1-CD2 4.19Å; F852-L908 HydrophobicContact CE1-CD2 3.51Å; F852-L908 HydrophobicContact CE1-CG 3.62Å; F852-L908 HydrophobicContact CZ-CB 4.46Å; F852-L908 HydrophobicContact CZ-CD2 4.13Å; F852-L908 HydrophobicContact CZ-CG 3.73Å; M866-L908 HydrophobicContact CE-CD1 3.7Å; M866-L908 HydrophobicContact CE-CG 4.39Å; M866-L908 HydrophobicContact SD-CD1 4.46Å; Q869-L908 HydrophobicContact CB-CD1 3.71Å; Q869-L908 HydrophobicContact CB-CD2 4.38Å; Q869-L908 VanDerWaalsContact OE1-CD1 3.26Å; A870-L908 HydrophobicContact CB-CD2 4.27Å; L873-L908 HydrophobicContact CD2-CD2 4.16Å; R904-L908 WeakPolarHBondContact O-CB 3.22Å; R904-L908 PolarHBondContact O-N 3.49Å; S905-L908 PolarHBondContact O-N 3.5Å; E906-L908 VanDerWaalsContact C-N 3.33Å; E906-L908 PolarHBondContact O-N 2.99Å; L908-S911 PolarHBondContact O-OG 3.44Å; L908-S911 VanDerWaalsContact O-OG 3.13Å; L908-M912 WeakPolarHBondContact O-CB 3.47Å; L908-M912 PolarHBondContact O-N 3.35Å |
| 909 | L | 75.3 | Confident | 76.8 | Confident | 60 Ų | 60 | 77 Ų | 77 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 170.5 | -89.2 | 158.6 | 0 | 0 | 0 | 111.8 | F852 S905 E906 M912 Q913 | F852-L909 HydrophobicContact CD2-CD2 3.87Å; F852-L909 HydrophobicContact CD2-CG 4.11Å; F852-L909 HydrophobicContact CE2-CD2 3.66Å; F852-L909 HydrophobicContact CE2-CG 3.79Å; S905-L909 WeakPolarHBondContact O-CB 3.14Å; S905-L909 WeakPolarHBondContact O-CG 3.41Å; S905-L909 PolarHBondContact O-N 2.83Å; E906-L909 PolarHBondContact O-N 3.39Å; L909-M912 HydrophobicContact CD2-CE 4.18Å; L909-M912 PolarHBondContact O-N 2.92Å; L909-Q913 WeakPolarHBondContact O-CB 3.44Å; L909-Q913 WeakPolarHBondContact O-CG 3.13Å; L909-Q913 PolarHBondContact O-N 3.48Å |
| 910 | A | 78.1 | Confident | 75.9 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E906 Q907 Q913 K914 | E906-A910 WeakPolarHBondContact O-CB 3.48Å; E906-A910 PolarHBondContact O-N 3.19Å; Q907-A910 PolarHBondContact O-N 3.41Å; A910-Q913 PolarHBondContact O-N 2.98Å; A910-K914 PolarHBondContact O-N 3.22Å; A910-K914 VanDerWaalsContact O-N 3.12Å |
| 911 | S | 76.2 | Confident | 74.9 | Confident | 45 Ų | 45 | 80 Ų | 80 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 176 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | Q907 L908 K914 K915 | Q907-S911 PolarHBondContact O-N 3.28Å; Q907-S911 VanDerWaalsContact O-N 3.14Å; Q907-S911 PolarHBondContact O-OG 3.08Å; L908-S911 PolarHBondContact O-OG 3.44Å; L908-S911 VanDerWaalsContact O-OG 3.13Å; S911-K914 PolarHBondContact O-N 2.66Å; S911-K915 PolarHBondContact O-N 3.03Å |
| 912 | M | 70.8 | Confident | 73.8 | Confident | 18 Ų | 18 | 83 Ų | 83 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 173 | -174.6 | -82 | -68.9 | 0 | 0 | 112.1 | F852 V855 L859 M866 L908 L909 K914 K915 K916 | F852-M912 HydrophobicContact CE2-CB 4.29Å; F852-M912 HydrophobicContact CE2-CE 3.98Å; F852-M912 HydrophobicContact CE2-CG 4.41Å; F852-M912 HydrophobicContact CZ-CB 4.03Å; F852-M912 HydrophobicContact CZ-CG 4.3Å; V855-M912 HydrophobicContact CG1-CE 4.35Å; V855-M912 HydrophobicContact CG1-SD 4.37Å; L859-M912 HydrophobicContact CD1-CG 4.39Å; M866-M912 HydrophobicContact CE-CB 3.78Å; L908-M912 WeakPolarHBondContact O-CB 3.47Å; L908-M912 PolarHBondContact O-N 3.35Å; L909-M912 HydrophobicContact CD2-CE 4.18Å; L909-M912 PolarHBondContact O-N 2.92Å; M912-K914 PolarHBondContact O-N 3.37Å; M912-K915 PolarHBondContact O-N 3.32Å; M912-K916 PolarHBondContact O-N 3.45Å; M912-K916 HydrophobicContact SD-CB 4.44Å; M912-K916 HydrophobicContact SD-CD 4.49Å |
| 913 | Q | 71.9 | Confident | 72.8 | Confident | 100 Ų | 100 | 87 Ų | 87 | 47% | 0.467 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -31.3 | 178.7 | -76.3 | -174.8 | 8.3 | 0 | 0 | 112.9 | L909 A910 R917 | L909-Q913 WeakPolarHBondContact O-CB 3.44Å; L909-Q913 WeakPolarHBondContact O-CG 3.13Å; L909-Q913 PolarHBondContact O-N 3.48Å; A910-Q913 PolarHBondContact O-N 2.98Å; Q913-R917 WeakPolarHBondContact O-CG 3.24Å; Q913-R917 PolarHBondContact O-N 3.16Å |
| 914 | K | 75.1 | Confident | 71.8 | Confident | 136 Ų | 136 | 88.5 Ų | 88.5 | 59% | 0.591 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.3 | -56.9 | 172.3 | -172.7 | 178.6 | 171.4 | -175.8 | 0 | 111.1 | A910 S911 M912 K916 R917 E918 | A910-K914 PolarHBondContact O-N 3.22Å; A910-K914 VanDerWaalsContact O-N 3.12Å; S911-K914 PolarHBondContact O-N 2.66Å; M912-K914 PolarHBondContact O-N 3.37Å; K914-K916 PolarHBondContact O-N 3.36Å; K914-R917 PolarHBondContact O-N 2.69Å; K914-E918 WeakPolarHBondContact CE-OE1 3.46Å; K914-E918 IonicContact NZ-OE1 2.69Å; K914-E918 PolarHBondContact O-N 3.27Å |
| 915 | K | 68.6 | Low | 70.8 | Confident | 62 Ų | 62 | 87.7 Ų | 87.7 | 27% | 0.27 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.4 | -36.2 | 179.1 | -69.4 | -172.9 | -179.7 | -179.7 | 0 | 112.8 | E865 S911 M912 E918 E919 | E865-K915 IonicContact OE2-NZ 3.72Å; E865-K915 PolarHBondContact OE2-NZ 2.86Å; S911-K915 PolarHBondContact O-N 3.03Å; M912-K915 PolarHBondContact O-N 3.32Å; K915-E918 WeakPolarHBondContact CA-OE2 3.48Å; K915-E918 PolarHBondContact O-N 2.71Å; K915-E919 PolarHBondContact O-N 3.21Å; K915-E919 VanDerWaalsContact O-N 3.08Å |
| 916 | K | 68.6 | Low | 69.8 | Low | 91 Ų | 91 | 92.9 Ų | 92.9 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.7 | -32.3 | 177.5 | -169.2 | 171.2 | -172.4 | -76.8 | 0 | 113.9 | M912 K914 E920 | M912-K916 PolarHBondContact O-N 3.45Å; M912-K916 HydrophobicContact SD-CB 4.44Å; M912-K916 HydrophobicContact SD-CD 4.49Å; K914-K916 PolarHBondContact O-N 3.36Å; K916-E920 IonicContact NZ-OE1 2.69Å; K916-E920 PolarHBondContact NZ-OE1 2.89Å; K916-E920 PolarHBondContact O-N 3Å |
| 917 | R | 67.3 | Low | 68.7 | Low | 174 Ų | 174 | 93.4 Ų | 93.4 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.8 | -38.5 | 174 | -72.2 | 174 | -172.7 | -171.5 | 3.5 | 111.1 | Q913 K914 E920 E921 | Q913-R917 WeakPolarHBondContact O-CG 3.24Å; Q913-R917 PolarHBondContact O-N 3.16Å; K914-R917 PolarHBondContact O-N 2.69Å; R917-E920 PolarHBondContact O-N 3.39Å; R917-E921 PolarHBondContact O-N 3Å |
| 918 | E | 67.8 | Low | 67.5 | Low | 95 Ų | 95 | 96 Ų | 96 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.1 | -65.3 | 161.2 | 169.9 | 0 | 0 | 111 | K914 K915 T922 | K914-E918 WeakPolarHBondContact CE-OE1 3.46Å; K914-E918 IonicContact NZ-OE1 2.69Å; K914-E918 PolarHBondContact O-N 3.27Å; K915-E918 WeakPolarHBondContact CA-OE2 3.48Å; K915-E918 PolarHBondContact O-N 2.71Å; E918-T922 WeakPolarHBondContact O-CG2 3.37Å |
| 919 | E | 63.8 | Low | 66.5 | Low | 57 Ų | 57 | 105.5 Ų | 105.5 | 27% | 0.266 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 169.4 | -78.4 | -174.1 | 150.3 | 0 | 0 | 112.5 | K860 K915 E921 T922 E923 | K860-E919 PolarHBondContact N-OE1 2.92Å; K915-E919 PolarHBondContact O-N 3.21Å; K915-E919 VanDerWaalsContact O-N 3.08Å; E919-E921 PolarHBondContact O-N 2.94Å; E919-T922 PolarHBondContact O-N 3.38Å; E919-T922 PolarHBondContact O-OG1 3.35Å; E919-E923 PolarHBondContact O-N 3.44Å |
| 920 | E | 65.9 | Low | 65.7 | Low | 75 Ų | 75 | 111.8 Ų | 111.8 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.4 | -33.2 | -175.1 | -81.7 | -172.8 | -143.4 | 0 | 0 | 115 | K916 R917 R924 | K916-E920 IonicContact NZ-OE1 2.69Å; K916-E920 PolarHBondContact NZ-OE1 2.89Å; K916-E920 PolarHBondContact O-N 3Å; R917-E920 PolarHBondContact O-N 3.39Å; E920-R924 VanDerWaalsContact O-CG 3.26Å; E920-R924 WeakPolarHBondContact O-CG 3.41Å; E920-R924 PolarHBondContact O-N 3.05Å; E920-R924 IonicContact OE2-NH2 3.06Å; E920-R924 PolarHBondContact OE2-NH2 3.47Å; E920-R924 VanDerWaalsContact OE2-NH2 3.12Å |
| 921 | E | 63.9 | Low | 64.5 | Low | 139 Ų | 139 | 115.5 Ų | 115.5 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 177.2 | -71.6 | -168 | 132.5 | 0 | 0 | 112.1 | R917 E919 E923 R924 L925 | R917-E921 PolarHBondContact O-N 3Å; E919-E921 PolarHBondContact O-N 2.94Å; E921-E923 PolarHBondContact O-N 3.33Å; E921-R924 PolarHBondContact O-N 3.36Å; E921-L925 PolarHBondContact O-N 2.62Å |
| 922 | T | 61.5 | Low | 63.5 | Low | 75 Ų | 75 | 120.7 Ų | 120.7 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -34 | -178.9 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | E918 E919 | E918-T922 WeakPolarHBondContact O-CG2 3.37Å; E919-T922 PolarHBondContact O-N 3.38Å; E919-T922 PolarHBondContact O-OG1 3.35Å |
| 923 | E | 64.3 | Low | 63 | Low | 103 Ų | 103 | 127.2 Ų | 127.2 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76 | -35.9 | 174.4 | -75.3 | -60.4 | 136.1 | 0 | 0 | 112.9 | E919 E921 L925 K926 H927 | E919-E923 PolarHBondContact O-N 3.44Å; E921-E923 PolarHBondContact O-N 3.33Å; E923-L925 VanDerWaalsContact C-N 3.28Å; E923-L925 PolarHBondContact O-N 3.15Å; E923-K926 PolarHBondContact O-N 2.92Å; E923-K926 VanDerWaalsContact O-N 3.13Å; E923-K926 WeakPolarHBondContact OE1-CD 3.15Å; E923-K926 IonicContact OE1-NZ 2.66Å; E923-K926 PolarHBondContact OE1-NZ 3.34Å; E923-H927 PolarHBondContact O-N 3.28Å |
| 924 | R | 63.9 | Low | 62.3 | Low | 169 Ų | 169 | 129.1 Ų | 129.1 | 64% | 0.638 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.8 | -37.4 | 175.6 | -74.1 | 173.5 | -169.4 | -151.9 | 7.1 | 112.1 | E920 E921 H927 K928 | E920-R924 VanDerWaalsContact O-CG 3.26Å; E920-R924 WeakPolarHBondContact O-CG 3.41Å; E920-R924 PolarHBondContact O-N 3.05Å; E920-R924 IonicContact OE2-NH2 3.06Å; E920-R924 PolarHBondContact OE2-NH2 3.47Å; E920-R924 VanDerWaalsContact OE2-NH2 3.12Å; E921-R924 PolarHBondContact O-N 3.36Å; R924-H927 PolarHBondContact O-N 3.26Å; R924-K928 PolarHBondContact O-N 3.28Å |
| 925 | L | 61.7 | Low | 61.4 | Low | 132 Ų | 132 | 129.6 Ų | 129.6 | 69% | 0.691 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63 | -39.9 | 173.8 | -87.3 | 160.5 | 0 | 0 | 0 | 112.9 | E921 E923 | E921-L925 PolarHBondContact O-N 2.62Å; E923-L925 VanDerWaalsContact C-N 3.28Å; E923-L925 PolarHBondContact O-N 3.15Å |
| 926 | K | 60.3 | Low | 60.7 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 52% | 0.522 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.8 | -44 | 176.1 | -65.2 | 172 | -165.1 | 169.6 | 0 | 111.8 | E923 K928 | E923-K926 PolarHBondContact O-N 2.92Å; E923-K926 VanDerWaalsContact O-N 3.13Å; E923-K926 WeakPolarHBondContact OE1-CD 3.15Å; E923-K926 IonicContact OE1-NZ 2.66Å; E923-K926 PolarHBondContact OE1-NZ 3.34Å; K926-K928 PolarHBondContact O-N 2.9Å |
| 927 | H | 57.3 | Low | 60.1 | Low | 122 Ų | 122 | 139.5 Ų | 139.5 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.9 | -34.5 | -173.6 | -162.7 | -14.3 | 0 | 0 | 0 | 112.9 | E923 R924 R929 R930 | E923-H927 PolarHBondContact O-N 3.28Å; R924-H927 PolarHBondContact O-N 3.26Å; H927-R929 PolarHBondContact O-N 3.07Å; H927-R930 PolarHBondContact O-N 3.48Å |
| 928 | K | 57.4 | Low | 59.1 | Low | 174 Ų | 174 | 140.6 Ų | 140.6 | 76% | 0.757 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57.6 | -42.8 | -180 | -107 | -174.3 | 174.1 | -174.6 | 0 | 113.1 | R924 K926 R930 K931 | R924-K928 PolarHBondContact O-N 3.28Å; K926-K928 PolarHBondContact O-N 2.9Å; K928-R930 VanDerWaalsContact C-N 3.28Å; K928-R930 PolarHBondContact O-N 2.89Å; K928-K931 PolarHBondContact O-N 3.33Å |
| 929 | R | 57.2 | Low | 58.2 | Low | 208 Ų | 208 | 144 Ų | 144 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.5 | -32.8 | -176.9 | -64.9 | -178.4 | 77.8 | 172 | 4 | 113.3 | H927 | H927-R929 PolarHBondContact O-N 3.07Å |
| 930 | R | 58.7 | Low | 57.4 | Low | 193 Ų | 193 | 150.6 Ų | 150.6 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.3 | -25 | -175.9 | -78.5 | -175.4 | 169.3 | 176 | -3.6 | 115.3 | H927 K928 Q932 | H927-R930 PolarHBondContact O-N 3.48Å; K928-R930 VanDerWaalsContact C-N 3.28Å; K928-R930 PolarHBondContact O-N 2.89Å; R930-Q932 VanDerWaalsContact C-N 3.28Å; R930-Q932 PolarHBondContact O-N 3.36Å |
| 931 | K | 53.1 | Low | 56.3 | Low | 137 Ų | 137 | 151 Ų | 151 | 60% | 0.596 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -75.2 | -20.5 | -179 | -77.3 | -165.8 | 169.3 | -167.2 | 0 | 113.3 | K928 E933 | K928-K931 PolarHBondContact O-N 3.33Å; K931-E933 VanDerWaalsContact C-N 3.33Å; K931-E933 PolarHBondContact O-N 3.03Å |
| 932 | Q | 55.3 | Low | 55.1 | Low | 154 Ų | 154 | 153 Ų | 153 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -13.8 | -170.7 | -149.4 | 161.5 | -4.7 | 0 | 0 | 113.1 | R930 | R930-Q932 VanDerWaalsContact C-N 3.28Å; R930-Q932 PolarHBondContact O-N 3.36Å |
| 933 | E | 59.6 | Low | 53.9 | Low | 155 Ų | 155 | 157.3 Ų | 157.3 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -10.7 | 177.1 | -61.6 | 174.8 | 129 | 0 | 0 | 113.3 | K931 | K931-E933 VanDerWaalsContact C-N 3.33Å; K931-E933 PolarHBondContact O-N 3.03Å |
| 934 | E | 57.9 | Low | 52.6 | Low | 140 Ų | 140 | 161.3 Ų | 161.3 | 65% | 0.654 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -23.3 | -176.5 | -93.7 | -169.2 | 123.9 | 0 | 0 | 114.5 | ||
| 935 | E | 54.8 | Low | 51.3 | Low | 146 Ų | 146 | 160.2 Ų | 160.2 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -75.8 | -36.3 | -176.4 | -64.9 | -169 | 133.4 | 0 | 0 | 112.7 | R937 R938 | E935-R937 PolarHBondContact O-N 2.91Å; E935-R938 PolarHBondContact O-N 2.87Å |
| 936 | D | 54.4 | Low | 50.3 | Low | 139 Ų | 139 | 156.7 Ų | 156.7 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -57.5 | -20.1 | -178.5 | -89.9 | -5.5 | 0 | 0 | 0 | 114.7 | ||
| 937 | R | 55.2 | Low | 48.8 | Very low | 222 Ų | 222 | 156.6 Ų | 156.6 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -87 | -14.7 | 176.9 | -71.4 | -169.7 | 179.9 | -169.8 | 1.2 | 114.5 | E935 | E935-R937 PolarHBondContact O-N 2.91Š|
| 938 | R | 46.5 | Very low | 47.5 | Very low | 198 Ų | 198 | 159.9 Ų | 159.9 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -30.7 | -171.7 | -70.9 | -172.1 | 172.3 | -159.1 | -3.1 | 114.3 | E935 K940 | E935-R938 PolarHBondContact O-N 2.87Å; R938-K940 PolarHBondContact O-N 2.93Å |
| 939 | L | 48.4 | Very low | 46.1 | Very low | 165 Ų | 165 | 160.5 Ų | 160.5 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 6.7 | -176 | -86.8 | 162.5 | 0 | 0 | 0 | 115.9 | ||
| 940 | K | 48.3 | Very low | 45.1 | Very low | 196 Ų | 196 | 155.9 Ų | 155.9 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 8.5 | -164.4 | -137.1 | 175.4 | -173 | 176.1 | 0 | 116.2 | R938 | R938-K940 PolarHBondContact O-N 2.93Š|
| 941 | A | 42.2 | Very low | 44.1 | Very low | 83 Ų | 83 | 151.2 Ų | 151.2 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -151.7 | 7.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | M943 | A941-M943 VanDerWaalsContact C-N 3.32Š|
| 942 | E | 39.6 | Very low | 43.8 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -91.6 | 11.1 | 177.6 | -70.3 | -171.7 | 141.5 | 0 | 0 | 114.1 | ||||
| 943 | M | 36.3 | Very low | 43.2 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -113.1 | 129.5 | 152.4 | -70 | 167.5 | 55 | 0 | 0 | 106.9 | A941 | A941-M943 VanDerWaalsContact C-N 3.32Š| ||
| 944 | E | 36 | Very low | 42.4 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | S | Bend | cis | -119.1 | 146.2 | 8.3 | -65.7 | 178 | 114.7 | 0 | 0 | 113 | ||
| 945 | V | 36.2 | Very low | 41.9 | Very low | 145 Ų | 145 | 148 Ų | 148 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -65.6 | 143.1 | -172.5 | 178.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 946 | G | 40.8 | Very low | 41.7 | Very low | 58 Ų | 58 | 145.6 Ų | 145.6 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | cis | 173.8 | 157.8 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 947 | S | 28.7 | Very low | 41.3 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -159.3 | 136.3 | -175.9 | -89.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 948 | K | 31.5 | Very low | 41.2 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | trans | 45.8 | 111.9 | 155.2 | -66.6 | -179.4 | 178.4 | 175 | 0 | 119.3 | ||||
| 949 | Q | 27.6 | Very low | 41.4 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | trans | 66.3 | 169.8 | 154.7 | -60.8 | -176.5 | -8.4 | 0 | 0 | 116.2 | ||||
| 950 | P | 35.8 | Very low | 41.7 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | cis | -118.7 | -176 | -42.9 | 35.4 | -23 | 0 | 0 | 0 | 110 | ||||
| 951 | S | 38.1 | Very low | 41.9 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | trans | -173.3 | 102.2 | 137.7 | 35.9 | 0 | 0 | 0 | 0 | 113.8 | K953 | S951-K953 PolarHBondContact O-N 3.43Š| ||
| 952 | Q | 46.1 | Very low | 42.5 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 27.7 | 170.4 | -138.4 | 78.3 | 23.4 | 0 | 0 | 113.9 | ||
| 953 | K | 43.8 | Very low | 43.7 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 74% | 0.735 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -26.6 | -173.5 | -78 | -173.3 | 171.1 | -178.2 | 0 | 114.4 | S951 Q955 N956 | S951-K953 PolarHBondContact O-N 3.43Å; K953-Q955 VanDerWaalsContact C-N 3.31Å; K953-Q955 PolarHBondContact O-N 2.96Å; K953-N956 PolarHBondContact O-N 3.08Å |
| 954 | S | 42.4 | Very low | 44.6 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63 | -37.6 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | N956 S958 | S954-N956 PolarHBondContact O-N 2.84Å; S954-S958 WeakPolarHBondContact O-CB 3.42Å; S954-S958 PolarHBondContact O-N 2.83Å; S954-S958 VanDerWaalsContact O-N 3.16Å; S954-S958 PolarHBondContact O-OG 3.23Å |
| 955 | Q | 47.4 | Very low | 45.5 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 51% | 0.509 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -63.7 | -36.5 | -179.5 | -73.7 | -177.6 | -39.1 | 0 | 0 | 113.9 | K953 S958 Q959 | K953-Q955 VanDerWaalsContact C-N 3.31Å; K953-Q955 PolarHBondContact O-N 2.96Å; Q955-S958 WeakPolarHBondContact CA-OG 3.34Å; Q955-S958 PolarHBondContact O-OG 3.5Å; Q955-Q959 WeakPolarHBondContact O-CB 3.35Å; Q955-Q959 VanDerWaalsContact O-CG 3.24Å; Q955-Q959 WeakPolarHBondContact O-CG 3.35Å; Q955-Q959 PolarHBondContact O-N 3.02Å |
| 956 | N | 50.6 | Low | 46.8 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 51% | 0.508 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -77.7 | -38.1 | -174.9 | -73.9 | 16.2 | 0 | 0 | 0 | 112.6 | K953 S954 Q959 I960 | K953-N956 PolarHBondContact O-N 3.08Å; S954-N956 PolarHBondContact O-N 2.84Å; N956-Q959 PolarHBondContact O-N 2.9Å; N956-I960 VanDerWaalsContact O-CG1 3.3Å; N956-I960 WeakPolarHBondContact O-CG1 3.41Å; N956-I960 PolarHBondContact O-N 3.28Å |
| 957 | E | 45.8 | Very low | 47.7 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.5 | -30.3 | 176.9 | -69.8 | -172.2 | 150.3 | 0 | 0 | 112.3 | I960 R961 | E957-I960 PolarHBondContact O-N 2.97Å; E957-R961 PolarHBondContact O-N 3.16Å |
| 958 | S | 52.5 | Low | 49.2 | Very low | 66 Ų | 66 | 120.9 Ų | 120.9 | 46% | 0.462 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.6 | -39.3 | 168.7 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | S954 Q955 S962 | S954-S958 WeakPolarHBondContact O-CB 3.42Å; S954-S958 PolarHBondContact O-N 2.83Å; S954-S958 VanDerWaalsContact O-N 3.16Å; S954-S958 PolarHBondContact O-OG 3.23Å; Q955-S958 WeakPolarHBondContact CA-OG 3.34Å; Q955-S958 PolarHBondContact O-OG 3.5Å; S958-S962 WeakPolarHBondContact O-CB 3.49Å; S958-S962 PolarHBondContact O-N 2.99Å |
| 959 | Q | 51.7 | Low | 50.6 | Low | 117 Ų | 117 | 116.4 Ų | 116.4 | 55% | 0.547 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.5 | -43.2 | 173.8 | -80.2 | 177.6 | -5.2 | 0 | 0 | 112 | Q955 N956 S962 I963 | Q955-Q959 WeakPolarHBondContact O-CB 3.35Å; Q955-Q959 VanDerWaalsContact O-CG 3.24Å; Q955-Q959 WeakPolarHBondContact O-CG 3.35Å; Q955-Q959 PolarHBondContact O-N 3.02Å; N956-Q959 PolarHBondContact O-N 2.9Å; Q959-S962 PolarHBondContact O-N 3.35Å; Q959-I963 WeakPolarHBondContact O-CB 3.29Å; Q959-I963 WeakPolarHBondContact O-CD1 3.46Å; Q959-I963 VanDerWaalsContact O-CG1 3.24Å; Q959-I963 WeakPolarHBondContact O-CG1 3.43Å; Q959-I963 PolarHBondContact O-N 2.9Å |
| 960 | I | 54.8 | Low | 52.3 | Low | 106 Ų | 106 | 110.2 Ų | 110.2 | 54% | 0.544 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67 | -38.6 | -179.7 | -70.2 | 167.2 | 0 | 0 | 0 | 111.9 | N956 E957 L964 | N956-I960 VanDerWaalsContact O-CG1 3.3Å; N956-I960 WeakPolarHBondContact O-CG1 3.41Å; N956-I960 PolarHBondContact O-N 3.28Å; E957-I960 PolarHBondContact O-N 2.97Å; I960-L964 HydrophobicContact CG2-CD1 4.33Å; I960-L964 PolarHBondContact O-N 2.85Å |
| 961 | R | 50.8 | Low | 53.3 | Low | 189 Ų | 189 | 110.6 Ų | 110.6 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.1 | -46.2 | 170.7 | -88.1 | -171.8 | 171.1 | 175.3 | -2.4 | 112.5 | E957 I963 L964 E965 | E957-R961 PolarHBondContact O-N 3.16Å; R961-I963 VanDerWaalsContact C-N 3.27Å; R961-I963 PolarHBondContact O-N 3.49Å; R961-L964 PolarHBondContact O-N 3.14Å; R961-L964 VanDerWaalsContact O-N 3.08Å; R961-E965 PolarHBondContact O-N 3.08Å |
| 962 | S | 56.8 | Low | 54.4 | Low | 74 Ų | 74 | 109.7 Ų | 109.7 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.3 | -36 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 112.8 | S958 Q959 A966 | S958-S962 WeakPolarHBondContact O-CB 3.49Å; S958-S962 PolarHBondContact O-N 2.99Å; Q959-S962 PolarHBondContact O-N 3.35Å; S962-A966 WeakPolarHBondContact O-CB 3.28Å; S962-A966 PolarHBondContact O-N 2.9Å |
| 963 | I | 62.9 | Low | 55.4 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.3 | -43.1 | 174.8 | -70.1 | 164.4 | 0 | 0 | 0 | 110.8 | Q959 R961 A966 E967 | Q959-I963 WeakPolarHBondContact O-CB 3.29Å; Q959-I963 WeakPolarHBondContact O-CD1 3.46Å; Q959-I963 VanDerWaalsContact O-CG1 3.24Å; Q959-I963 WeakPolarHBondContact O-CG1 3.43Å; Q959-I963 PolarHBondContact O-N 2.9Å; R961-I963 VanDerWaalsContact C-N 3.27Å; R961-I963 PolarHBondContact O-N 3.49Å; I963-A966 PolarHBondContact O-N 3.16Å; I963-E967 VanDerWaalsContact O-CB 3.31Å; I963-E967 WeakPolarHBondContact O-CB 3.35Å; I963-E967 PolarHBondContact O-N 3.48Å |
| 964 | L | 55.8 | Low | 56.3 | Low | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.1 | -38.4 | 179.2 | -87.3 | 161.8 | 0 | 0 | 0 | 113.6 | I960 R961 L968 | I960-L964 HydrophobicContact CG2-CD1 4.33Å; I960-L964 PolarHBondContact O-N 2.85Å; R961-L964 PolarHBondContact O-N 3.14Å; R961-L964 VanDerWaalsContact O-N 3.08Å; L964-L968 WeakPolarHBondContact O-CB 3.42Å; L964-L968 PolarHBondContact O-N 3.21Å; L964-L968 VanDerWaalsContact O-N 3.14Å |
| 965 | E | 54.8 | Low | 57.1 | Low | 132 Ų | 132 | 103.2 Ų | 103.2 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.8 | -43 | 173.4 | -75.9 | 174.1 | 135.6 | 0 | 0 | 110.8 | R961 E967 L968 D969 | R961-E965 PolarHBondContact O-N 3.08Å; E965-E967 PolarHBondContact O-N 2.98Å; E965-L968 PolarHBondContact O-N 3Å; E965-D969 PolarHBondContact O-N 3.41Å |
| 966 | A | 63.3 | Low | 57.7 | Low | 59 Ų | 59 | 104.8 Ų | 104.8 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S962 I963 A970 | S962-A966 WeakPolarHBondContact O-CB 3.28Å; S962-A966 PolarHBondContact O-N 2.9Å; I963-A966 PolarHBondContact O-N 3.16Å; A966-A970 WeakPolarHBondContact O-CB 3.46Å; A966-A970 PolarHBondContact O-N 3.05Å |
| 967 | E | 61.1 | Low | 57.9 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.4 | -29 | 177.4 | -165.8 | 160.5 | -166.8 | 0 | 0 | 112.2 | I963 E965 Q971 | I963-E967 VanDerWaalsContact O-CB 3.31Å; I963-E967 WeakPolarHBondContact O-CB 3.35Å; I963-E967 PolarHBondContact O-N 3.48Å; E965-E967 PolarHBondContact O-N 2.98Å; E967-Q971 WeakPolarHBondContact O-CG 3.33Å; E967-Q971 PolarHBondContact O-N 3.31Å; E967-Q971 VanDerWaalsContact O-N 3.16Å |
| 968 | L | 59.1 | Low | 58.5 | Low | 101 Ų | 101 | 103.1 Ų | 103.1 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.4 | -45.1 | 172 | -176.3 | 61.9 | 0 | 0 | 0 | 112.4 | L964 E965 A970 Q971 L972 | L964-L968 WeakPolarHBondContact O-CB 3.42Å; L964-L968 PolarHBondContact O-N 3.21Å; L964-L968 VanDerWaalsContact O-N 3.14Å; E965-L968 PolarHBondContact O-N 3Å; L968-A970 VanDerWaalsContact C-N 3.32Å; L968-Q971 PolarHBondContact O-N 2.97Å; L968-L972 HydrophobicContact CD1-CD1 4.4Å; L968-L972 HydrophobicContact CG-CD1 4.19Å; L968-L972 WeakPolarHBondContact O-CG 3.13Å; L968-L972 PolarHBondContact O-N 3.35Å |
| 969 | D | 60.6 | Low | 58.6 | Low | 97 Ų | 97 | 106 Ų | 106 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.5 | -33.4 | 175.1 | -108.9 | -25.5 | 0 | 0 | 0 | 111.5 | E965 L972 A973 R976 | E965-D969 PolarHBondContact O-N 3.41Å; D969-L972 PolarHBondContact O-N 2.92Å; D969-A973 WeakPolarHBondContact O-CB 3.43Å; D969-A973 PolarHBondContact O-N 3.37Å; D969-R976 IonicContact OD1-NH2 3.95Å |
| 970 | A | 63.4 | Low | 59.1 | Low | 57 Ų | 57 | 105.2 Ų | 105.2 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | A966 L968 L974 | A966-A970 WeakPolarHBondContact O-CB 3.46Å; A966-A970 PolarHBondContact O-N 3.05Å; L968-A970 VanDerWaalsContact C-N 3.32Å; A970-L974 WeakPolarHBondContact O-CB 3.5Å; A970-L974 PolarHBondContact O-N 3.21Å |
| 971 | Q | 57.7 | Low | 58.9 | Low | 119 Ų | 119 | 106.3 Ų | 106.3 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67 | -46.4 | 173.7 | -75.7 | -179.4 | 9.1 | 0 | 0 | 111.9 | E967 L968 A973 L974 E975 | E967-Q971 WeakPolarHBondContact O-CG 3.33Å; E967-Q971 PolarHBondContact O-N 3.31Å; E967-Q971 VanDerWaalsContact O-N 3.16Å; L968-Q971 PolarHBondContact O-N 2.97Å; Q971-A973 VanDerWaalsContact C-N 3.26Å; Q971-A973 PolarHBondContact O-N 2.99Å; Q971-L974 PolarHBondContact O-N 3.13Å; Q971-E975 PolarHBondContact O-N 3.22Å |
| 972 | L | 61.4 | Low | 59.2 | Low | 75 Ų | 75 | 105 Ų | 105 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.9 | -22.8 | 178.1 | -70 | 170.7 | 0 | 0 | 0 | 113.1 | L968 D969 R976 | L968-L972 HydrophobicContact CD1-CD1 4.4Å; L968-L972 HydrophobicContact CG-CD1 4.19Å; L968-L972 WeakPolarHBondContact O-CG 3.13Å; L968-L972 PolarHBondContact O-N 3.35Å; D969-L972 PolarHBondContact O-N 2.92Å; L972-R976 WeakPolarHBondContact O-CB 3.33Å; L972-R976 WeakPolarHBondContact O-CG 3.22Å; L972-R976 PolarHBondContact O-N 3.03Å; L972-R976 PolarHBondContact O-NE 3.37Å |
| 973 | A | 66.6 | Low | 59.2 | Low | 46 Ų | 46 | 104.4 Ų | 104.4 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76 | -45.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D969 Q971 E975 R976 E977 | D969-A973 WeakPolarHBondContact O-CB 3.43Å; D969-A973 PolarHBondContact O-N 3.37Å; Q971-A973 VanDerWaalsContact C-N 3.26Å; Q971-A973 PolarHBondContact O-N 2.99Å; A973-E975 PolarHBondContact O-N 3.49Å; A973-R976 CarbonylContact O-C 3.48Å; A973-R976 PolarHBondContact O-N 3.05Å; A973-R976 VanDerWaalsContact O-N 3.15Å; A973-E977 PolarHBondContact O-N 3.34Å |
| 974 | L | 63.6 | Low | 58.9 | Low | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 177.6 | -138 | 84.7 | 0 | 0 | 0 | 112 | A970 Q971 E977 E978 | A970-L974 WeakPolarHBondContact O-CB 3.5Å; A970-L974 PolarHBondContact O-N 3.21Å; Q971-L974 PolarHBondContact O-N 3.13Å; L974-E977 PolarHBondContact O-N 2.99Å; L974-E978 WeakPolarHBondContact O-CB 3.42Å; L974-E978 PolarHBondContact O-N 3.29Å |
| 975 | E | 58.5 | Low | 58.8 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.8 | -36 | 173.9 | -74.2 | -160.7 | 131.3 | 0 | 0 | 112.2 | Q971 A973 Q979 | Q971-E975 PolarHBondContact O-N 3.22Å; A973-E975 PolarHBondContact O-N 3.49Å; E975-Q979 VanDerWaalsContact O-CB 3.28Å; E975-Q979 WeakPolarHBondContact O-CB 3.09Å; E975-Q979 WeakPolarHBondContact O-CG 3.4Å; E975-Q979 PolarHBondContact O-N 2.7Å |
| 976 | R | 60.3 | Low | 58.8 | Low | 142 Ų | 142 | 101.1 Ų | 101.1 | 54% | 0.536 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 173.7 | -84.3 | 178 | -82.3 | -179.6 | -4.1 | 111.9 | D969 L972 A973 Q979 V980 | D969-R976 IonicContact OD1-NH2 3.95Å; L972-R976 WeakPolarHBondContact O-CB 3.33Å; L972-R976 WeakPolarHBondContact O-CG 3.22Å; L972-R976 PolarHBondContact O-N 3.03Å; L972-R976 PolarHBondContact O-NE 3.37Å; A973-R976 CarbonylContact O-C 3.48Å; A973-R976 PolarHBondContact O-N 3.05Å; A973-R976 VanDerWaalsContact O-N 3.15Å; R976-Q979 PolarHBondContact O-N 3.15Å; R976-V980 WeakPolarHBondContact O-CB 3.16Å; R976-V980 VanDerWaalsContact O-CG2 3.25Å; R976-V980 WeakPolarHBondContact O-CG2 3.31Å; R976-V980 PolarHBondContact O-N 3.36Å |
| 977 | E | 55.2 | Low | 58.4 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 174 | -73.4 | -162 | 141.9 | 0 | 0 | 111.9 | A973 L974 V980 Q981 | A973-E977 PolarHBondContact O-N 3.34Å; L974-E977 PolarHBondContact O-N 2.99Å; E977-V980 PolarHBondContact O-N 2.88Å; E977-Q981 VanDerWaalsContact O-CB 3.29Å; E977-Q981 WeakPolarHBondContact O-CB 3.39Å; E977-Q981 VanDerWaalsContact O-CG 3.26Å; E977-Q981 WeakPolarHBondContact O-CG 3.46Å; E977-Q981 PolarHBondContact O-N 3.29Å |
| 978 | E | 58 | Low | 57.6 | Low | 97 Ų | 97 | 101.3 Ų | 101.3 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 173.6 | -79.9 | -152.4 | 171.5 | 0 | 0 | 112.2 | L974 R982 | L974-E978 WeakPolarHBondContact O-CB 3.42Å; L974-E978 PolarHBondContact O-N 3.29Å; E978-R982 VanDerWaalsContact O-CB 3.26Å; E978-R982 WeakPolarHBondContact O-CB 3.45Å; E978-R982 WeakPolarHBondContact O-CD 3.11Å; E978-R982 WeakPolarHBondContact O-CG 3.46Å; E978-R982 PolarHBondContact O-N 3.19Å; E978-R982 IonicContact OE2-CZ 3.28Å; E978-R982 IonicContact OE2-NE 3.4Å; E978-R982 IonicContact OE2-NH2 2.66Å; E978-R982 PolarHBondContact OE2-NH2 3.05Å |
| 979 | Q | 53.6 | Low | 56.9 | Low | 126 Ų | 126 | 102.2 Ų | 102.2 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 176 | -75.2 | 177.6 | 28.9 | 0 | 0 | 111.9 | E975 R976 A983 | E975-Q979 VanDerWaalsContact O-CB 3.28Å; E975-Q979 WeakPolarHBondContact O-CB 3.09Å; E975-Q979 WeakPolarHBondContact O-CG 3.4Å; E975-Q979 PolarHBondContact O-N 2.7Å; R976-Q979 PolarHBondContact O-N 3.15Å; Q979-A983 WeakPolarHBondContact O-CB 3.18Å; Q979-A983 PolarHBondContact O-N 3.16Å |
| 980 | V | 63.6 | Low | 56.3 | Low | 101 Ų | 101 | 105 Ų | 105 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 175.2 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | R976 E977 A983 A984 | R976-V980 WeakPolarHBondContact O-CB 3.16Å; R976-V980 VanDerWaalsContact O-CG2 3.25Å; R976-V980 WeakPolarHBondContact O-CG2 3.31Å; R976-V980 PolarHBondContact O-N 3.36Å; E977-V980 PolarHBondContact O-N 2.88Å; V980-A983 PolarHBondContact O-N 3.14Å; V980-A984 VanDerWaalsContact O-CB 3.23Å; V980-A984 WeakPolarHBondContact O-CB 3.5Å; V980-A984 PolarHBondContact O-N 2.89Å |
| 981 | Q | 50.9 | Low | 55.6 | Low | 129 Ų | 129 | 109.4 Ų | 109.4 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.1 | -41.9 | 175.9 | -73.6 | -178.7 | 30.2 | 0 | 0 | 112 | E977 A984 M985 | E977-Q981 VanDerWaalsContact O-CB 3.29Å; E977-Q981 WeakPolarHBondContact O-CB 3.39Å; E977-Q981 VanDerWaalsContact O-CG 3.26Å; E977-Q981 WeakPolarHBondContact O-CG 3.46Å; E977-Q981 PolarHBondContact O-N 3.29Å; Q981-A984 PolarHBondContact O-N 2.85Å; Q981-M985 VanDerWaalsContact O-CB 3.23Å; Q981-M985 WeakPolarHBondContact O-CB 3.46Å; Q981-M985 PolarHBondContact O-N 3.46Å |
| 982 | R | 55.5 | Low | 54.7 | Low | 161 Ų | 161 | 108.2 Ų | 108.2 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 174.7 | -70.2 | 168.1 | -167.5 | -150 | 11 | 111.5 | E978 M985 V986 | E978-R982 VanDerWaalsContact O-CB 3.26Å; E978-R982 WeakPolarHBondContact O-CB 3.45Å; E978-R982 WeakPolarHBondContact O-CD 3.11Å; E978-R982 WeakPolarHBondContact O-CG 3.46Å; E978-R982 PolarHBondContact O-N 3.19Å; E978-R982 IonicContact OE2-CZ 3.28Å; E978-R982 IonicContact OE2-NE 3.4Å; E978-R982 IonicContact OE2-NH2 2.66Å; E978-R982 PolarHBondContact OE2-NH2 3.05Å; R982-M985 PolarHBondContact O-N 3.41Å; R982-V986 WeakPolarHBondContact O-CG2 3.4Å; R982-V986 PolarHBondContact O-N 3.27Å |
| 983 | A | 57 | Low | 53.8 | Low | 62 Ų | 62 | 110.2 Ų | 110.2 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q979 V980 M985 V986 E987 | Q979-A983 WeakPolarHBondContact O-CB 3.18Å; Q979-A983 PolarHBondContact O-N 3.16Å; V980-A983 PolarHBondContact O-N 3.14Å; A983-M985 VanDerWaalsContact C-N 3.34Å; A983-M985 PolarHBondContact O-N 3.46Å; A983-V986 PolarHBondContact O-N 2.96Å; A983-E987 WeakPolarHBondContact O-CB 3.37Å; A983-E987 PolarHBondContact O-N 3.07Å |
| 984 | A | 56.3 | Low | 52.8 | Low | 55 Ų | 55 | 112.9 Ų | 112.9 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V980 Q981 Q988 | V980-A984 VanDerWaalsContact O-CB 3.23Å; V980-A984 WeakPolarHBondContact O-CB 3.5Å; V980-A984 PolarHBondContact O-N 2.89Å; Q981-A984 PolarHBondContact O-N 2.85Å; A984-Q988 WeakPolarHBondContact O-CB 3.49Å; A984-Q988 PolarHBondContact O-N 3.48Å |
| 985 | M | 53.6 | Low | 51.6 | Low | 133 Ų | 133 | 112 Ų | 112 | 66% | 0.655 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 178 | -166.8 | 173.1 | -151.7 | 0 | 0 | 112.1 | Q981 R982 A983 Q988 E989 | Q981-M985 VanDerWaalsContact O-CB 3.23Å; Q981-M985 WeakPolarHBondContact O-CB 3.46Å; Q981-M985 PolarHBondContact O-N 3.46Å; R982-M985 PolarHBondContact O-N 3.41Å; A983-M985 VanDerWaalsContact C-N 3.34Å; A983-M985 PolarHBondContact O-N 3.46Å; M985-Q988 PolarHBondContact O-N 2.88Å; M985-E989 PolarHBondContact O-N 2.7Å |
| 986 | V | 56.7 | Low | 50.7 | Low | 95 Ų | 95 | 109 Ų | 109 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.8 | -41.3 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | R982 A983 Q988 E989 R990 | R982-V986 WeakPolarHBondContact O-CG2 3.4Å; R982-V986 PolarHBondContact O-N 3.27Å; A983-V986 PolarHBondContact O-N 2.96Å; V986-Q988 VanDerWaalsContact C-N 3.3Å; V986-Q988 PolarHBondContact O-N 2.9Å; V986-E989 PolarHBondContact O-N 3.26Å; V986-R990 WeakPolarHBondContact O-CB 3.36Å; V986-R990 PolarHBondContact O-N 3.17Å |
| 987 | E | 54.7 | Low | 49.7 | Very low | 68 Ų | 68 | 107.3 Ų | 107.3 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -30 | 176.5 | -179.1 | 64.2 | -168.6 | 0 | 0 | 111.8 | A983 R990 R991 | A983-E987 WeakPolarHBondContact O-CB 3.37Å; A983-E987 PolarHBondContact O-N 3.07Å; E987-R990 IonicContact OE2-NH1 3.58Å; E987-R990 PolarHBondContact OE2-NH1 3.4Å; E987-R991 VanDerWaalsContact O-CG 3.29Å; E987-R991 WeakPolarHBondContact O-CG 3.44Å; E987-R991 PolarHBondContact O-N 3.42Å; E987-R991 VanDerWaalsContact O-N 3.12Å; E987-R991 IonicContact OE1-CZ 3.19Å; E987-R991 IonicContact OE1-NE 3.77Å; E987-R991 PolarHBondContact OE1-NE 3.45Å; E987-R991 VanDerWaalsContact OE1-NE 3.14Å; E987-R991 IonicContact OE1-NH2 2.67Å; E987-R991 PolarHBondContact OE1-NH2 3.45Å |
| 988 | Q | 43.9 | Very low | 49 | Very low | 116 Ų | 116 | 108.5 Ų | 108.5 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.8 | -43.2 | 172.9 | -173.2 | 164.7 | -9.6 | 0 | 0 | 112.5 | A984 M985 V986 R990 R991 D992 | A984-Q988 WeakPolarHBondContact O-CB 3.49Å; A984-Q988 PolarHBondContact O-N 3.48Å; M985-Q988 PolarHBondContact O-N 2.88Å; V986-Q988 VanDerWaalsContact C-N 3.3Å; V986-Q988 PolarHBondContact O-N 2.9Å; Q988-R990 PolarHBondContact O-N 2.83Å; Q988-R991 PolarHBondContact O-N 3.01Å; Q988-R991 VanDerWaalsContact O-N 3.13Å; Q988-D992 WeakPolarHBondContact O-CB 3.29Å; Q988-D992 PolarHBondContact O-N 3.36Å |
| 989 | E | 44.8 | Very low | 48.1 | Very low | 119 Ų | 119 | 108 Ų | 108 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.3 | -37.4 | 170.7 | -79.4 | -164.2 | 134.1 | 0 | 0 | 111.8 | M985 V986 R993 | M985-E989 PolarHBondContact O-N 2.7Å; V986-E989 PolarHBondContact O-N 3.26Å; E989-R993 WeakPolarHBondContact O-CB 3.26Å; E989-R993 PolarHBondContact O-N 3.3Å; E989-R993 VanDerWaalsContact O-N 3.09Å |
| 990 | R | 47.7 | Very low | 47.2 | Very low | 157 Ų | 157 | 105.2 Ų | 105.2 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -47.7 | 173.6 | -177.4 | -177.4 | 178 | -168.5 | 2.3 | 111.6 | V986 E987 Q988 E994 | V986-R990 WeakPolarHBondContact O-CB 3.36Å; V986-R990 PolarHBondContact O-N 3.17Å; E987-R990 IonicContact OE2-NH1 3.58Å; E987-R990 PolarHBondContact OE2-NH1 3.4Å; Q988-R990 PolarHBondContact O-N 2.83Å; R990-E994 WeakPolarHBondContact O-CB 3.48Å; R990-E994 PolarHBondContact O-N 3.45Å |
| 991 | R | 47.7 | Very low | 45.9 | Very low | 149 Ų | 149 | 106.6 Ų | 106.6 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68 | -45.8 | 179.2 | -71.6 | 171 | -162.8 | 169.7 | 4.2 | 112.5 | E987 Q988 R993 E994 L995 | E987-R991 VanDerWaalsContact O-CG 3.29Å; E987-R991 WeakPolarHBondContact O-CG 3.44Å; E987-R991 PolarHBondContact O-N 3.42Å; E987-R991 VanDerWaalsContact O-N 3.12Å; E987-R991 IonicContact OE1-CZ 3.19Å; E987-R991 IonicContact OE1-NE 3.77Å; E987-R991 PolarHBondContact OE1-NE 3.45Å; E987-R991 VanDerWaalsContact OE1-NE 3.14Å; E987-R991 IonicContact OE1-NH2 2.67Å; E987-R991 PolarHBondContact OE1-NH2 3.45Å; Q988-R991 PolarHBondContact O-N 3.01Å; Q988-R991 VanDerWaalsContact O-N 3.13Å; R991-R993 PolarHBondContact O-N 2.92Å; R991-E994 PolarHBondContact O-N 2.96Å; R991-L995 WeakPolarHBondContact O-CB 3.47Å; R991-L995 PolarHBondContact O-N 3.16Å |
| 992 | D | 38.8 | Very low | 45.3 | Very low | 93 Ų | 93 | 103.2 Ų | 103.2 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -34.3 | 179.2 | -73.7 | -15.2 | 0 | 0 | 0 | 111.3 | Q988 A996 | Q988-D992 WeakPolarHBondContact O-CB 3.29Å; Q988-D992 PolarHBondContact O-N 3.36Å; D992-A996 WeakPolarHBondContact O-CB 3.17Å; D992-A996 PolarHBondContact O-N 3.08Å |
| 993 | R | 42.8 | Very low | 44.3 | Very low | 118 Ų | 118 | 102.5 Ų | 102.5 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.1 | -34.3 | 175.9 | -168.1 | 172.1 | 177.3 | -155.8 | 1.2 | 113.5 | E989 R991 M997 N1119 | E989-R993 WeakPolarHBondContact O-CB 3.26Å; E989-R993 PolarHBondContact O-N 3.3Å; E989-R993 VanDerWaalsContact O-N 3.09Å; R991-R993 PolarHBondContact O-N 2.92Å; R993-M997 VanDerWaalsContact O-CG 3.26Å; R993-M997 WeakPolarHBondContact O-CG 3.48Å; R993-M997 PolarHBondContact O-N 3.13Å; R993-M997 VanDerWaalsContact O-N 3.08Å; R993-N1119 VanDerWaalsContact NH1-CG 3.28Å; R993-N1119 PolarHBondContact NH1-OD1 2.96Å; R993-N1119 PolarHBondContact NH2-OD1 3.38Å |
| 994 | E | 45.1 | Very low | 43.2 | Very low | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.3 | -31.6 | 172.1 | -162.6 | -177 | -94.9 | 0 | 0 | 112 | R990 R991 R998 | R990-E994 WeakPolarHBondContact O-CB 3.48Å; R990-E994 PolarHBondContact O-N 3.45Å; R991-E994 PolarHBondContact O-N 2.96Å; E994-R998 PolarHBondContact O-N 2.99Å; E994-R998 VanDerWaalsContact O-N 3.17Å; E994-R998 IonicContact OE2-NH2 3.23Å; E994-R998 PolarHBondContact OE2-NH2 2.92Å |
| 995 | L | 40 | Very low | 42.4 | Very low | 94 Ų | 94 | 108.8 Ų | 108.8 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 171.1 | -154.5 | 80.4 | 0 | 0 | 0 | 110.9 | R991 M997 R998 I999 | R991-L995 WeakPolarHBondContact O-CB 3.47Å; R991-L995 PolarHBondContact O-N 3.16Å; L995-M997 VanDerWaalsContact C-N 3.33Å; L995-M997 PolarHBondContact O-N 2.71Å; L995-R998 WeakPolarHBondContact O-CB 3.44Å; L995-R998 PolarHBondContact O-N 3.3Å; L995-R998 VanDerWaalsContact O-N 3.1Å; L995-I999 HydrophobicContact CD2-CD1 4.38Å; L995-I999 HydrophobicContact CG-CD1 4.3Å; L995-I999 WeakPolarHBondContact O-CG1 3.46Å; L995-I999 PolarHBondContact O-N 3.42Å |
| 996 | A | 37.6 | Very low | 41.5 | Very low | 54 Ų | 54 | 109.5 Ų | 109.5 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D992 A1000 | D992-A996 WeakPolarHBondContact O-CB 3.17Å; D992-A996 PolarHBondContact O-N 3.08Å; A996-A1000 VanDerWaalsContact O-CB 3.3Å; A996-A1000 WeakPolarHBondContact O-CB 3.31Å; A996-A1000 PolarHBondContact O-N 3.38Å |
| 997 | M | 40 | Very low | 40.3 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.5 | -41.6 | 171.8 | -71.6 | -92 | -72 | 0 | 0 | 111.9 | R993 L995 Q1001 | R993-M997 VanDerWaalsContact O-CG 3.26Å; R993-M997 WeakPolarHBondContact O-CG 3.48Å; R993-M997 PolarHBondContact O-N 3.13Å; R993-M997 VanDerWaalsContact O-N 3.08Å; L995-M997 VanDerWaalsContact C-N 3.33Å; L995-M997 PolarHBondContact O-N 2.71Å; M997-Q1001 PolarHBondContact O-N 3.04Å |
| 998 | R | 41.1 | Very low | 39.3 | Very low | 144 Ų | 144 | 114.4 Ų | 114.4 | 54% | 0.543 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.3 | -45.7 | 177.6 | -111.4 | 178.1 | -77.3 | -173.1 | -6.9 | 112.8 | E994 L995 A1000 Q1001 S1002 | E994-R998 PolarHBondContact O-N 2.99Å; E994-R998 VanDerWaalsContact O-N 3.17Å; E994-R998 IonicContact OE2-NH2 3.23Å; E994-R998 PolarHBondContact OE2-NH2 2.92Å; L995-R998 WeakPolarHBondContact O-CB 3.44Å; L995-R998 PolarHBondContact O-N 3.3Å; L995-R998 VanDerWaalsContact O-N 3.1Å; R998-A1000 VanDerWaalsContact C-N 3.31Å; R998-A1000 PolarHBondContact O-N 2.91Å; R998-Q1001 PolarHBondContact O-N 3.02Å; R998-Q1001 VanDerWaalsContact O-N 3.11Å; R998-S1002 PolarHBondContact O-N 3.25Å; R998-S1002 PolarHBondContact O-OG 3.46Å |
| 999 | I | 38.1 | Very low | 38.6 | Very low | 86 Ų | 86 | 117.4 Ų | 117.4 | 44% | 0.441 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.4 | -43 | 177.8 | -66.3 | 170 | 0 | 0 | 0 | 110.4 | L995 Q1001 S1002 E1003 | L995-I999 HydrophobicContact CD2-CD1 4.38Å; L995-I999 HydrophobicContact CG-CD1 4.3Å; L995-I999 WeakPolarHBondContact O-CG1 3.46Å; L995-I999 PolarHBondContact O-N 3.42Å; I999-Q1001 VanDerWaalsContact C-N 3.26Å; I999-Q1001 PolarHBondContact O-N 3.43Å; I999-S1002 WeakPolarHBondContact CA-OG 3.49Å; I999-S1002 PolarHBondContact O-N 2.95Å; I999-S1002 VanDerWaalsContact O-N 3.16Å; I999-S1002 PolarHBondContact O-OG 3.1Å; I999-E1003 PolarHBondContact O-N 3.03Å |
| 1000 | A | 35.8 | Very low | 37.8 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 56% | 0.562 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.4 | -21.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A996 R998 | A996-A1000 VanDerWaalsContact O-CB 3.3Å; A996-A1000 WeakPolarHBondContact O-CB 3.31Å; A996-A1000 PolarHBondContact O-N 3.38Å; R998-A1000 VanDerWaalsContact C-N 3.31Å; R998-A1000 PolarHBondContact O-N 2.91Å |
| 1001 | Q | 36.1 | Very low | 36.9 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 60% | 0.603 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.4 | -41.7 | 168.9 | -72.2 | -175.3 | -60.7 | 0 | 0 | 111.5 | M997 R998 I999 A1004 | M997-Q1001 PolarHBondContact O-N 3.04Å; R998-Q1001 PolarHBondContact O-N 3.02Å; R998-Q1001 VanDerWaalsContact O-N 3.11Å; I999-Q1001 VanDerWaalsContact C-N 3.26Å; I999-Q1001 PolarHBondContact O-N 3.43Å; Q1001-A1004 WeakPolarHBondContact O-CB 3.26Å; Q1001-A1004 PolarHBondContact O-N 2.92Å |
| 1002 | S | 38.3 | Very low | 35.9 | Very low | 59 Ų | 59 | 117.8 Ų | 117.8 | 41% | 0.413 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.5 | -31 | -179.2 | 53 | 0 | 0 | 0 | 0 | 115 | R998 I999 A1004 E1005 | R998-S1002 PolarHBondContact O-N 3.25Å; R998-S1002 PolarHBondContact O-OG 3.46Å; I999-S1002 WeakPolarHBondContact CA-OG 3.49Å; I999-S1002 PolarHBondContact O-N 2.95Å; I999-S1002 VanDerWaalsContact O-N 3.16Å; I999-S1002 PolarHBondContact O-OG 3.1Å; S1002-A1004 PolarHBondContact O-N 2.78Å; S1002-E1005 PolarHBondContact O-N 3.2Å |
| 1003 | E | 33.8 | Very low | 35.4 | Very low | 145 Ų | 145 | 116.7 Ų | 116.7 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -9.9 | 175.6 | -97.8 | -171 | 152 | 0 | 0 | 113.3 | I999 | I999-E1003 PolarHBondContact O-N 3.03Š|
| 1004 | A | 35.1 | Very low | 34.6 | Very low | 85 Ų | 85 | 119.2 Ų | 119.2 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -17.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1001 S1002 | Q1001-A1004 WeakPolarHBondContact O-CB 3.26Å; Q1001-A1004 PolarHBondContact O-N 2.92Å; S1002-A1004 PolarHBondContact O-N 2.78Å |
| 1005 | E | 38.1 | Very low | 33.8 | Very low | 165 Ų | 165 | 119 Ų | 119 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -6.1 | -170.5 | -63.3 | -174 | 140 | 0 | 0 | 114.1 | S1002 | S1002-E1005 PolarHBondContact O-N 3.2Š|
| 1006 | L | 34.4 | Very low | 33.3 | Very low | 148 Ų | 148 | 117.6 Ų | 117.6 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | trans | -129.4 | 42.9 | -170.7 | -75.3 | 170.5 | 0 | 0 | 0 | 114.5 | ||||
| 1007 | I | 32 | Very low | 32.8 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 81% | 0.805 | 71% | 0.705 | S | S | * | * | trans | -114.2 | 87.6 | 159.1 | -58 | -178.8 | 0 | 0 | 0 | 108.5 | ||||
| 1008 | S | 33.8 | Very low | 32.2 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | -149 | 148.1 | 167.7 | -72.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1009 | E | 29 | Very low | 31.5 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | 66.4 | 100.5 | 172.7 | -55.8 | -168.5 | 158.8 | 0 | 0 | 118.4 | ||||
| 1010 | D | 28.7 | Very low | 31 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | 68.5 | -176.8 | 124.1 | -71.1 | 10 | 0 | 0 | 0 | 121.8 | |||||
| 1011 | G | 27.9 | Very low | 30.6 | Very low | 56 Ų | 56 | 132.3 Ų | 132.3 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | trans | -172.9 | -156.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1012 | Q | 27.8 | Very low | 30.2 | Very low | 210 Ų | 210 | 133.4 Ų | 133.4 | 98% | 0.981 | 76% | 0.755 | S | S | * | * | trans | 73.8 | 148.6 | -159.9 | -45.6 | 175.6 | 51.7 | 0 | 0 | 111.8 | ||||
| 1013 | G | 27.6 | Very low | 29.7 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | 179.5 | 172.5 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1014 | D | 26.3 | Very low | 29.3 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | trans | 62.8 | 173.7 | 162.7 | -130.5 | -23.5 | 0 | 0 | 0 | 120.5 | ||||
| 1015 | A | 28.9 | Very low | 28.8 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -153.8 | 158.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1016 | G | 28.1 | Very low | 28.1 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | 171 | 162.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1017 | L | 27.8 | Very low | 28.6 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 71.6 | 150.9 | 168 | -51.4 | 173 | 0 | 0 | 0 | 117 | ||||
| 1018 | R | 27.4 | Very low | 28.4 | Very low | 219 Ų | 219 | 134.5 Ų | 134.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | cis | -167.3 | 166.4 | -41.9 | -124.9 | -175.6 | -172.1 | -178.6 | 1.2 | 109.8 | ||||
| 1019 | S | 26.7 | Very low | 28 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | trans | 59.4 | 118 | 154.3 | 48.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1020 | D | 27.3 | Very low | 27.9 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | 75.2 | 102.4 | 117.9 | -48.5 | -18.7 | 0 | 0 | 0 | 124.4 | |||||
| 1021 | D | 28.2 | Very low | 27.8 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | 86.5 | 165 | 111 | -149.1 | 14.8 | 0 | 0 | 0 | 123.1 | |||||
| 1022 | F | 27.3 | Very low | 27.8 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 86.3 | 111.4 | 168.5 | -87.2 | -104.1 | 0 | 0 | 0 | 123 | ||||
| 1023 | F | 26.8 | Very low | 27.8 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | 57.1 | 153.3 | 134.5 | -81.3 | -123.3 | 0 | 0 | 0 | 120.7 | ||||
| 1024 | S | 26.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | cis | -169.7 | 172.9 | -16.6 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1025 | G | 25 | Very low | 28 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | trans | 139.8 | 129.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1026 | L | 22.2 | Very low | 27.8 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -166.5 | 179.8 | -177.9 | -104.8 | -178.2 | 0 | 0 | 0 | 107.4 | ||||
| 1027 | P | 45 | Very low | 27.8 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | cis | -140 | -157.1 | -8.7 | 26.8 | 0.7 | 0 | 0 | 0 | 113.9 | ||||
| 1028 | I | 27.8 | Very low | 27.8 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 81 | 133.8 | 153.3 | -62.6 | 176.7 | 0 | 0 | 0 | 118.3 | ||||
| 1029 | S | 25.5 | Very low | 27.8 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | cis | -166.9 | 165.1 | -22 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1030 | S | 26.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 54.9 | 142.2 | 144.3 | 57.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1031 | S | 27.1 | Very low | 28.1 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | cis | 175.2 | 161.3 | -5.9 | 50.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1032 | S | 28.4 | Very low | 28 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -156.8 | -139.6 | -8.2 | 33.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1033 | T | 28.5 | Very low | 28.2 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | cis | -166.7 | 153.8 | 3.8 | -23.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1034 | R | 28.1 | Very low | 28.3 | Very low | 233 Ų | 233 | 130.8 Ų | 130.8 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | 68 | 146.6 | 160.5 | -57.4 | -161.3 | 170.7 | 173.8 | -2.4 | 120.1 | ||||
| 1035 | V | 29.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | cis | -160.4 | 136.4 | -29.1 | 153.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1036 | M | 25.2 | Very low | 28.6 | Very low | 184 Ų | 184 | 132 Ų | 132 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | 165.7 | 141.7 | 135.6 | -95.7 | -59.1 | 177.2 | 0 | 0 | 113.8 | ||||
| 1037 | G | 28.1 | Very low | 29.3 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 107.4 | 89.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1038 | A | 26.4 | Very low | 28.7 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 58.7 | 95.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1039 | Q | 27.1 | Very low | 29.1 | Very low | 187 Ų | 187 | 127 Ų | 127 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | 62.4 | 146.5 | 107 | -134.6 | 173.1 | 5.6 | 0 | 0 | 124.2 | |||||
| 1040 | V | 29.1 | Very low | 30 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 90.6 | 127.4 | 160.6 | -174 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1041 | Q | 31.4 | Very low | 31.1 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -96.2 | 177.4 | 173.8 | -65.1 | 173.6 | -21.5 | 0 | 0 | 112.1 | ||||
| 1042 | A | 26.1 | Very low | 32.3 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | trans | 71.5 | 50.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1043 | T | 32.3 | Very low | 33.7 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -175.9 | 101.7 | 136.8 | 18.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1044 | K | 28 | Very low | 35.4 | Very low | 198 Ų | 198 | 120.8 Ų | 120.8 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | cis | 53.1 | 104.4 | 25.8 | -74.9 | -165.8 | 175.4 | -174.9 | 0 | 113.2 | ||||
| 1045 | A | 28.9 | Very low | 36.6 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | S | Bend | cis | -146.7 | 120.1 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1046 | A | 30.8 | Very low | 37.5 | Very low | 110 Ų | 110 | 115.4 Ų | 115.4 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -155.6 | 10.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1047 | A | 36.2 | Very low | 38.6 | Very low | 101 Ų | 101 | 110.2 Ų | 110.2 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | trans | -139 | 51.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1048 | G | 32.6 | Very low | 39.3 | Very low | 69 Ų | 69 | 113.4 Ų | 113.4 | 71% | 0.711 | 65% | 0.654 | S | S | * | * | trans | -65.6 | 142 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | K1050 | G1048-K1050 PolarHBondContact O-N 2.76Å; G1048-K1050 VanDerWaalsContact O-N 3.16Å | ||
| 1049 | V | 36.8 | Very low | 40 | Very low | 143 Ų | 143 | 113.2 Ų | 113.2 | 87% | 0.867 | 63% | 0.634 | S | S | * | * | trans | -57.4 | 120.8 | 171.5 | 176.2 | 0 | 0 | 0 | 0 | 107.3 | K1051 | V1049-K1051 PolarHBondContact O-N 2.66Š| ||
| 1050 | K | 43.2 | Very low | 40.7 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 44% | 0.435 | 61% | 0.612 | S | S | . | * | trans | -65.1 | 111.5 | 166.7 | -79.5 | -155.7 | 172.8 | -163.2 | 0 | 106.7 | G1048 Y1052 E1080 | G1048-K1050 PolarHBondContact O-N 2.76Å; G1048-K1050 VanDerWaalsContact O-N 3.16Å; K1050-Y1052 PolarHBondContact O-N 2.96Å; K1050-E1080 WeakPolarHBondContact CE-OE2 3.21Å; K1050-E1080 IonicContact NZ-OE2 2.62Å; K1050-E1080 PolarHBondContact NZ-OE2 3.28Å | ||
| 1051 | K | 49.9 | Very low | 41.6 | Very low | 115 Ų | 115 | 103.4 Ų | 103.4 | 50% | 0.5 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -48.8 | -21.1 | 175.2 | -167.2 | 179.3 | 171.7 | -157.5 | 0 | 112.7 | V1049 D1071 E1073 | V1049-K1051 PolarHBondContact O-N 2.66Å; K1051-D1071 IonicContact NZ-OD1 2.78Å; K1051-D1071 IonicContact NZ-OD2 3.47Å; K1051-D1071 PolarHBondContact NZ-OD2 3.17Å; K1051-E1073 WeakPolarHBondContact CD-OE2 3.34Å; K1051-E1073 WeakPolarHBondContact CE-OE2 3.27Å; K1051-E1073 IonicContact NZ-OE2 3.23Å; K1051-E1073 PolarHBondContact NZ-OE2 3.37Å |
| 1052 | Y | 53 | Low | 42.4 | Very low | 64 Ų | 64 | 94.7 Ų | 94.7 | 25% | 0.251 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -136.3 | 127.5 | 177.3 | -47.6 | -79.9 | 0 | 0 | 0 | 111.8 | K1050 L1054 D1071 L1074 | K1050-Y1052 PolarHBondContact O-N 2.96Å; Y1052-L1054 PolarHBondContact O-N 2.99Å; Y1052-D1071 PolarHBondContact OH-OD2 3.12Å; Y1052-L1074 HydrophobicContact CD1-CD1 4.11Å; Y1052-L1074 HydrophobicContact CD2-CB 3.94Å; Y1052-L1074 HydrophobicContact CD2-CD1 3.62Å; Y1052-L1074 HydrophobicContact CD2-CG 4.31Å; Y1052-L1074 HydrophobicContact CE2-CB 3.62Å; Y1052-L1074 HydrophobicContact CE2-CD1 4.12Å; Y1052-L1074 HydrophobicContact CE2-CG 4.32Å; Y1052-L1074 HydrophobicContact CG-CD1 3.64Å |
| 1053 | D | 56.3 | Low | 43.1 | Very low | 97 Ų | 97 | 96.6 Ų | 96.6 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | trans | -85.8 | 87.9 | 169.1 | 178 | 21.1 | 0 | 0 | 0 | 111.1 | S1055 | D1053-S1055 PolarHBondContact O-N 3.48Å; D1053-S1055 WeakPolarHBondContact OD1-CB 3.24Å; D1053-S1055 PolarHBondContact OD1-N 3.36Å; D1053-S1055 PolarHBondContact OD1-OG 2.91Å; D1053-S1055 PolarHBondContact OD2-OG 3.18Å | ||
| 1054 | L | 64.5 | Low | 43.8 | Very low | 5 Ų | 5 | 93.7 Ų | 93.7 | 3% | 0.026 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -81.3 | 3.2 | -179.4 | -52.7 | 172.3 | 0 | 0 | 0 | 113.1 | Y1052 K1056 W1057 L1062 L1074 A1077 C1078 R1085 | Y1052-L1054 PolarHBondContact O-N 2.99Å; L1054-K1056 PolarHBondContact O-N 3.42Å; L1054-W1057 HydrophobicContact CD2-CD2 3.61Å; L1054-W1057 HydrophobicContact CD2-CE3 3.62Å; L1054-W1057 HydrophobicContact CD2-CG 4.36Å; L1054-W1057 HydrophobicContact CD2-CH2 3.68Å; L1054-W1057 HydrophobicContact CD2-CZ2 3.67Å; L1054-W1057 HydrophobicContact CD2-CZ3 3.63Å; L1054-W1057 PolarHBondContact O-N 3.01Å; L1054-L1062 HydrophobicContact CB-CD2 4.1Å; L1054-L1062 HydrophobicContact CD1-CD2 4.35Å; L1054-L1074 HydrophobicContact CD2-CD1 3.95Å; L1054-A1077 HydrophobicContact CD1-CB 3.59Å; L1054-C1078 HydrophobicContact CD1-CB 4.21Å; L1054-C1078 VanDerWaalsContact CD1-N 3.33Å; L1054-C1078 WeakPolarHBondContact CD1-SG 3.48Å; L1054-R1085 PolarHBondContact O-NH2 3.4Å |
| 1055 | S | 54.6 | Low | 45 | Very low | 62 Ų | 62 | 85.7 Ų | 85.7 | 43% | 0.434 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -65.8 | -27 | -173.4 | 69.3 | 0 | 0 | 0 | 0 | 113.5 | D1053 R1085 | D1053-S1055 PolarHBondContact O-N 3.48Å; D1053-S1055 WeakPolarHBondContact OD1-CB 3.24Å; D1053-S1055 PolarHBondContact OD1-N 3.36Å; D1053-S1055 PolarHBondContact OD1-OG 2.91Å; D1053-S1055 PolarHBondContact OD2-OG 3.18Å; S1055-R1085 PolarHBondContact O-NH2 2.9Å |
| 1056 | K | 47 | Very low | 45.8 | Very low | 175 Ų | 175 | 81.8 Ų | 81.8 | 76% | 0.761 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -94 | -15.5 | -179 | -60.6 | 175.7 | -170.9 | 167.2 | 0 | 114.5 | L1054 | L1054-K1056 PolarHBondContact O-N 3.42Š|
| 1057 | W | 48.7 | Very low | 46.2 | Very low | 76 Ų | 76 | 82.2 Ų | 82.2 | 29% | 0.288 | 43% | 0.434 | S | S | . | . | trans | -66.8 | 147.3 | -175.4 | -69.2 | 22.6 | 0 | 0 | 0 | 111.3 | L1054 E1061 L1062 V1065 L1074 R1085 | L1054-W1057 HydrophobicContact CD2-CD2 3.61Å; L1054-W1057 HydrophobicContact CD2-CE3 3.62Å; L1054-W1057 HydrophobicContact CD2-CG 4.36Å; L1054-W1057 HydrophobicContact CD2-CH2 3.68Å; L1054-W1057 HydrophobicContact CD2-CZ2 3.67Å; L1054-W1057 HydrophobicContact CD2-CZ3 3.63Å; L1054-W1057 PolarHBondContact O-N 3.01Å; W1057-E1061 WeakPolarHBondContact CA-OE2 3.45Å; W1057-E1061 HydrophobicContact CB-CB 4.27Å; W1057-E1061 HydrophobicContact CE3-CB 4.35Å; W1057-L1062 HydrophobicContact CB-CG 4.15Å; W1057-L1062 HydrophobicContact CE3-CD2 4.47Å; W1057-V1065 HydrophobicContact CH2-CG1 4.45Å; W1057-V1065 HydrophobicContact CH2-CG2 4.28Å; W1057-V1065 HydrophobicContact CZ3-CB 3.94Å; W1057-V1065 HydrophobicContact CZ3-CG1 3.97Å; W1057-V1065 HydrophobicContact CZ3-CG2 3.72Å; W1057-L1074 HydrophobicContact CH2-CD1 4.2Å; W1057-R1085 VanDerWaalsContact O-CZ 3.26Å; W1057-R1085 PolarHBondContact O-NH1 3.16Å; W1057-R1085 PolarHBondContact O-NH2 2.94Å | ||
| 1058 | K | 43.2 | Very low | 46.5 | Very low | 138 Ų | 138 | 82.7 Ų | 82.7 | 60% | 0.6 | 43% | 0.427 | S | S | * | . | trans | -72.2 | 170.1 | 176.5 | -59.9 | -174.7 | -158.6 | 108.4 | 0 | 111.5 | A1060 E1061 L1062 | K1058-A1060 VanDerWaalsContact C-N 3.31Å; K1058-E1061 HydrophobicContact CB-CB 4.4Å; K1058-E1061 HydrophobicContact CB-CG 4.17Å; K1058-E1061 WeakPolarHBondContact CD-OE1 3.47Å; K1058-E1061 VanDerWaalsContact CE-OE1 3.3Å; K1058-E1061 WeakPolarHBondContact CE-OE1 3.24Å; K1058-E1061 WeakPolarHBondContact CG-OE1 3.34Å; K1058-E1061 PolarHBondContact N-OE2 3.19Å; K1058-E1061 IonicContact NZ-OE1 2.76Å; K1058-E1061 PolarHBondContact NZ-OE1 3.47Å; K1058-L1062 WeakPolarHBondContact O-CB 3.3Å; K1058-L1062 PolarHBondContact O-N 3.14Å | ||
| 1059 | Y | 40.4 | Very low | 47.1 | Very low | 92 Ų | 92 | 81 Ų | 81 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.3 | -22.2 | 178.1 | -157.6 | -85 | 0 | 0 | 0 | 113 | R1063 F1082 | Y1059-R1063 WeakPolarHBondContact O-CB 3.44Å; Y1059-R1063 PolarHBondContact O-N 3.46Å; Y1059-F1082 HydrophobicContact CD1-CE2 4.13Å; Y1059-F1082 HydrophobicContact CE1-CD2 4.3Å; Y1059-F1082 AromaticContact CE1-CE2 3.42Å; Y1059-F1082 HydrophobicContact CE1-CE2 3.42Å; Y1059-F1082 VanDerWaalsContact CE1-CE2 3.42Å; Y1059-F1082 AromaticContact CE1-CZ 3.84Å; Y1059-F1082 HydrophobicContact CE1-CZ 3.84Å; Y1059-F1082 HydrophobicContact CE2-CD2 4.23Å; Y1059-F1082 HydrophobicContact CE2-CE2 4.07Å; Y1059-F1082 AromaticContact CZ-CD2 3.99Å; Y1059-F1082 AromaticContact CZ-CE2 3.39Å; Y1059-F1082 AromaticContact CZ-CZ 3.67Å; Y1059-F1082 VanDerWaalsContact OH-CZ 3.26Å; Y1059-F1082 WeakPolarHBondContact OH-CZ 3.5Å |
| 1060 | A | 41.4 | Very low | 47.5 | Very low | 50 Ų | 50 | 80 Ų | 80 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.5 | -64.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K1058 L1062 R1063 D1064 | K1058-A1060 VanDerWaalsContact C-N 3.31Å; A1060-L1062 VanDerWaalsContact C-N 3.25Å; A1060-L1062 CarbonylContact O-C 3.47Å; A1060-L1062 PolarHBondContact O-N 3.41Å; A1060-R1063 CarbonylContact O-C 3.59Å; A1060-R1063 VanDerWaalsContact O-CA 3.31Å; A1060-R1063 WeakPolarHBondContact O-CA 3.37Å; A1060-R1063 VanDerWaalsContact O-CB 3.3Å; A1060-R1063 WeakPolarHBondContact O-CB 3.35Å; A1060-R1063 PolarHBondContact O-N 2.99Å; A1060-D1064 PolarHBondContact O-N 3.47Å; A1060-D1064 VanDerWaalsContact O-OD2 3.1Å |
| 1061 | E | 49.2 | Very low | 48.2 | Very low | 65 Ų | 65 | 77.6 Ų | 77.6 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -45.6 | -42.1 | 178.5 | -65.6 | 154.1 | -155.1 | 0 | 0 | 114.4 | W1057 K1058 D1064 V1065 | W1057-E1061 WeakPolarHBondContact CA-OE2 3.45Å; W1057-E1061 HydrophobicContact CB-CB 4.27Å; W1057-E1061 HydrophobicContact CE3-CB 4.35Å; K1058-E1061 HydrophobicContact CB-CB 4.4Å; K1058-E1061 HydrophobicContact CB-CG 4.17Å; K1058-E1061 WeakPolarHBondContact CD-OE1 3.47Å; K1058-E1061 VanDerWaalsContact CE-OE1 3.3Å; K1058-E1061 WeakPolarHBondContact CE-OE1 3.24Å; K1058-E1061 WeakPolarHBondContact CG-OE1 3.34Å; K1058-E1061 PolarHBondContact N-OE2 3.19Å; K1058-E1061 IonicContact NZ-OE1 2.76Å; K1058-E1061 PolarHBondContact NZ-OE1 3.47Å; E1061-D1064 PolarHBondContact N-OD2 3.35Å; E1061-V1065 WeakPolarHBondContact O-CB 3.31Å; E1061-V1065 WeakPolarHBondContact O-CG2 3.38Å; E1061-V1065 PolarHBondContact O-N 3.48Å |
| 1062 | L | 46.5 | Very low | 48.7 | Very low | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 173.3 | -85.7 | 173.2 | 0 | 0 | 0 | 114.3 | L1054 W1057 K1058 A1060 I1066 C1078 E1081 R1085 | L1054-L1062 HydrophobicContact CB-CD2 4.1Å; L1054-L1062 HydrophobicContact CD1-CD2 4.35Å; W1057-L1062 HydrophobicContact CB-CG 4.15Å; W1057-L1062 HydrophobicContact CE3-CD2 4.47Å; K1058-L1062 WeakPolarHBondContact O-CB 3.3Å; K1058-L1062 PolarHBondContact O-N 3.14Å; A1060-L1062 VanDerWaalsContact C-N 3.25Å; A1060-L1062 CarbonylContact O-C 3.47Å; A1060-L1062 PolarHBondContact O-N 3.41Å; L1062-I1066 WeakPolarHBondContact O-CB 3.44Å; L1062-I1066 WeakPolarHBondContact O-CD1 3.47Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.46Å; L1062-I1066 PolarHBondContact O-N 3.3Å; L1062-C1078 HydrophobicContact CD2-CB 3.92Å; L1062-E1081 HydrophobicContact CD1-CG 4.33Å; L1062-E1081 HydrophobicContact CD2-CB 4.41Å; L1062-R1085 VanDerWaalsContact CD1-NH1 3.3Å |
| 1063 | R | 42.8 | Very low | 48.7 | Very low | 128 Ų | 128 | 81.3 Ų | 81.3 | 48% | 0.483 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -76.8 | -45.3 | 177.6 | -176.2 | -158.4 | -56.8 | -176.5 | -0.4 | 110.7 | Y1059 A1060 V1065 I1066 N1067 F1082 | Y1059-R1063 WeakPolarHBondContact O-CB 3.44Å; Y1059-R1063 PolarHBondContact O-N 3.46Å; A1060-R1063 CarbonylContact O-C 3.59Å; A1060-R1063 VanDerWaalsContact O-CA 3.31Å; A1060-R1063 WeakPolarHBondContact O-CA 3.37Å; A1060-R1063 VanDerWaalsContact O-CB 3.3Å; A1060-R1063 WeakPolarHBondContact O-CB 3.35Å; A1060-R1063 PolarHBondContact O-N 2.99Å; R1063-V1065 PolarHBondContact O-N 2.94Å; R1063-I1066 WeakPolarHBondContact O-CA 3.34Å; R1063-I1066 WeakPolarHBondContact O-CB 3.24Å; R1063-I1066 PolarHBondContact O-N 3.39Å; R1063-N1067 PolarHBondContact O-N 2.93Å; R1063-N1067 VanDerWaalsContact O-N 3.1Å; R1063-N1067 PolarHBondContact O-OD1 2.94Å; R1063-F1082 HydrophobicContact CB-CE2 4.5Å |
| 1064 | D | 45.8 | Very low | 49.1 | Very low | 77 Ų | 77 | 77.5 Ų | 77.5 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | -176.5 | -51.2 | -27 | 0 | 0 | 0 | 109.1 | A1060 E1061 I1066 N1067 T1068 | A1060-D1064 PolarHBondContact O-N 3.47Å; A1060-D1064 VanDerWaalsContact O-OD2 3.1Å; E1061-D1064 PolarHBondContact N-OD2 3.35Å; D1064-I1066 VanDerWaalsContact C-N 3.28Å; D1064-I1066 PolarHBondContact O-N 3.35Å; D1064-N1067 CarbonylContact O-C 2.94Å; D1064-N1067 WeakPolarHBondContact O-CA 3.47Å; D1064-N1067 PolarHBondContact O-N 3.16Å; D1064-T1068 PolarHBondContact O-N 3.28Å; D1064-T1068 PolarHBondContact O-OG1 3.33Å |
| 1065 | V | 52.6 | Low | 48.6 | Very low | 30 Ų | 30 | 78.7 Ų | 78.7 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67 | -23.7 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 113.3 | W1057 E1061 R1063 N1067 S1069 L1074 L1075 | W1057-V1065 HydrophobicContact CH2-CG1 4.45Å; W1057-V1065 HydrophobicContact CH2-CG2 4.28Å; W1057-V1065 HydrophobicContact CZ3-CB 3.94Å; W1057-V1065 HydrophobicContact CZ3-CG1 3.97Å; W1057-V1065 HydrophobicContact CZ3-CG2 3.72Å; E1061-V1065 WeakPolarHBondContact O-CB 3.31Å; E1061-V1065 WeakPolarHBondContact O-CG2 3.38Å; E1061-V1065 PolarHBondContact O-N 3.48Å; R1063-V1065 PolarHBondContact O-N 2.94Å; V1065-N1067 PolarHBondContact O-N 3.01Å; V1065-S1069 WeakPolarHBondContact O-CB 3.49Å; V1065-S1069 PolarHBondContact O-N 3.32Å; V1065-L1074 HydrophobicContact CG1-CD1 4.12Å; V1065-L1074 HydrophobicContact CG1-CD2 3.67Å; V1065-L1074 HydrophobicContact CG1-CG 3.69Å; V1065-L1075 VanDerWaalsContact O-CD2 3.25Å; V1065-L1075 WeakPolarHBondContact O-CD2 2.78Å |
| 1066 | I | 47.3 | Very low | 48.5 | Very low | 21 Ų | 21 | 78.5 Ų | 78.5 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.2 | -23 | 169.9 | -76.9 | 167.9 | 0 | 0 | 0 | 112.5 | L1062 R1063 D1064 L1075 C1078 R1079 F1082 | L1062-I1066 WeakPolarHBondContact O-CB 3.44Å; L1062-I1066 WeakPolarHBondContact O-CD1 3.47Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.46Å; L1062-I1066 PolarHBondContact O-N 3.3Å; R1063-I1066 WeakPolarHBondContact O-CA 3.34Å; R1063-I1066 WeakPolarHBondContact O-CB 3.24Å; R1063-I1066 PolarHBondContact O-N 3.39Å; D1064-I1066 VanDerWaalsContact C-N 3.28Å; D1064-I1066 PolarHBondContact O-N 3.35Å; I1066-L1075 WeakPolarHBondContact O-CD2 3.37Å; I1066-C1078 HydrophobicContact CD1-CB 3.81Å; I1066-C1078 HydrophobicContact CG1-CB 3.47Å; I1066-C1078 VanDerWaalsContact CG1-CB 3.47Å; I1066-R1079 HydrophobicContact CD1-CB 4.44Å; I1066-R1079 HydrophobicContact CD1-CG 3.78Å; I1066-R1079 HydrophobicContact CG1-CG 3.89Å; I1066-R1079 HydrophobicContact CG2-CG 4.11Å; I1066-F1082 HydrophobicContact CD1-CB 4.17Å; I1066-F1082 HydrophobicContact CD1-CD2 4.41Å; I1066-F1082 HydrophobicContact CD1-CG 4.37Å |
| 1067 | N | 39.1 | Very low | 49.2 | Very low | 118 Ų | 118 | 70.9 Ų | 70.9 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -105.4 | -24.7 | -174.4 | -67.1 | 2.2 | 0 | 0 | 0 | 113.2 | R1063 D1064 V1065 | R1063-N1067 PolarHBondContact O-N 2.93Å; R1063-N1067 VanDerWaalsContact O-N 3.1Å; R1063-N1067 PolarHBondContact O-OD1 2.94Å; D1064-N1067 CarbonylContact O-C 2.94Å; D1064-N1067 WeakPolarHBondContact O-CA 3.47Å; D1064-N1067 PolarHBondContact O-N 3.16Å; V1065-N1067 PolarHBondContact O-N 3.01Å |
| 1068 | T | 41.3 | Very low | 49.6 | Very low | 111 Ų | 111 | 67.3 Ų | 67.3 | 68% | 0.681 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -116.9 | -14.3 | -173.5 | 64.2 | 0 | 0 | 0 | 0 | 115.2 | D1064 | D1064-T1068 PolarHBondContact O-N 3.28Å; D1064-T1068 PolarHBondContact O-OG1 3.33Å |
| 1069 | S | 46 | Very low | 50 | Low | 33 Ų | 33 | 67.1 Ų | 67.1 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | trans | -91.8 | 140.3 | -178.7 | -166.4 | 0 | 0 | 0 | 0 | 112.7 | V1065 D1071 L1075 | V1065-S1069 WeakPolarHBondContact O-CB 3.49Å; V1065-S1069 PolarHBondContact O-N 3.32Å; S1069-D1071 PolarHBondContact OG-N 3.13Å; S1069-L1075 WeakPolarHBondContact O-CD1 3.2Å; S1069-L1075 WeakPolarHBondContact O-CD2 3.32Å | ||
| 1070 | C | 44.8 | Very low | 50.6 | Low | 124 Ų | 124 | 68.4 Ų | 68.4 | 84% | 0.838 | 37% | 0.368 | S | S | * | . | trans | -94.6 | -5.5 | 173.9 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | I1072 | C1070-I1072 PolarHBondContact O-N 3.48Š| ||
| 1071 | D | 58.9 | Low | 51.1 | Low | 48 Ų | 48 | 66.8 Ų | 66.8 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | trans | -75.2 | 107.9 | 176.4 | -178.3 | -44.7 | 0 | 0 | 0 | 109.8 | K1051 Y1052 S1069 E1073 L1074 L1075 | K1051-D1071 IonicContact NZ-OD1 2.78Å; K1051-D1071 IonicContact NZ-OD2 3.47Å; K1051-D1071 PolarHBondContact NZ-OD2 3.17Å; Y1052-D1071 PolarHBondContact OH-OD2 3.12Å; S1069-D1071 PolarHBondContact OG-N 3.13Å; D1071-E1073 VanDerWaalsContact C-N 3.25Å; D1071-E1073 PolarHBondContact O-N 3.44Å; D1071-E1073 WeakPolarHBondContact OD1-CA 3.29Å; D1071-E1073 WeakPolarHBondContact OD1-CB 3.34Å; D1071-E1073 PolarHBondContact OD1-N 2.82Å; D1071-L1074 HydrophobicContact CB-CB 3.89Å; D1071-L1074 PolarHBondContact O-N 2.97Å; D1071-L1074 PolarHBondContact OD1-N 3.45Å; D1071-L1075 WeakPolarHBondContact O-CB 3.42Å; D1071-L1075 WeakPolarHBondContact O-CG 3.49Å; D1071-L1075 PolarHBondContact O-N 3.4Å | ||
| 1072 | I | 59.3 | Low | 51.1 | Low | 138 Ų | 138 | 65.8 Ų | 65.8 | 71% | 0.708 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.9 | -30.6 | -175.7 | -59.5 | 176 | 0 | 0 | 0 | 112.2 | C1070 A1076 | C1070-I1072 PolarHBondContact O-N 3.48Å; I1072-A1076 WeakPolarHBondContact O-CB 3.44Å; I1072-A1076 PolarHBondContact O-N 3.43Å |
| 1073 | E | 53.3 | Low | 51.1 | Low | 119 Ų | 119 | 71.3 Ų | 71.3 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -76.2 | -40 | 177.5 | -57.5 | -171.7 | 121.5 | 0 | 0 | 111.6 | K1051 D1071 A1076 A1077 | K1051-E1073 WeakPolarHBondContact CD-OE2 3.34Å; K1051-E1073 WeakPolarHBondContact CE-OE2 3.27Å; K1051-E1073 IonicContact NZ-OE2 3.23Å; K1051-E1073 PolarHBondContact NZ-OE2 3.37Å; D1071-E1073 VanDerWaalsContact C-N 3.25Å; D1071-E1073 PolarHBondContact O-N 3.44Å; D1071-E1073 WeakPolarHBondContact OD1-CA 3.29Å; D1071-E1073 WeakPolarHBondContact OD1-CB 3.34Å; D1071-E1073 PolarHBondContact OD1-N 2.82Å; E1073-A1076 PolarHBondContact O-N 3.28Å; E1073-A1077 WeakPolarHBondContact O-CB 3.42Å; E1073-A1077 PolarHBondContact O-N 3.34Å |
| 1074 | L | 64.9 | Low | 51.7 | Low | 17 Ų | 17 | 72.4 Ų | 72.4 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 172.4 | 177.7 | 54.1 | 0 | 0 | 0 | 110.7 | Y1052 L1054 W1057 V1065 D1071 A1076 A1077 C1078 | Y1052-L1074 HydrophobicContact CD1-CD1 4.11Å; Y1052-L1074 HydrophobicContact CD2-CB 3.94Å; Y1052-L1074 HydrophobicContact CD2-CD1 3.62Å; Y1052-L1074 HydrophobicContact CD2-CG 4.31Å; Y1052-L1074 HydrophobicContact CE2-CB 3.62Å; Y1052-L1074 HydrophobicContact CE2-CD1 4.12Å; Y1052-L1074 HydrophobicContact CE2-CG 4.32Å; Y1052-L1074 HydrophobicContact CG-CD1 3.64Å; L1054-L1074 HydrophobicContact CD2-CD1 3.95Å; W1057-L1074 HydrophobicContact CH2-CD1 4.2Å; V1065-L1074 HydrophobicContact CG1-CD1 4.12Å; V1065-L1074 HydrophobicContact CG1-CD2 3.67Å; V1065-L1074 HydrophobicContact CG1-CG 3.69Å; D1071-L1074 HydrophobicContact CB-CB 3.89Å; D1071-L1074 PolarHBondContact O-N 2.97Å; D1071-L1074 PolarHBondContact OD1-N 3.45Å; L1074-A1076 VanDerWaalsContact C-N 3.34Å; L1074-A1076 PolarHBondContact O-N 3.22Å; L1074-A1077 PolarHBondContact O-N 3.15Å; L1074-C1078 WeakPolarHBondContact O-CB 3.42Å; L1074-C1078 PolarHBondContact O-N 3.41Å; L1074-C1078 PolarHBondContact O-SG 3.16Å; L1074-C1078 VanDerWaalsContact O-SG 3.34Å |
| 1075 | L | 54.5 | Low | 51.8 | Low | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.2 | -48.2 | 174.4 | -75.2 | 179.1 | 0 | 0 | 0 | 111.8 | V1065 I1066 S1069 D1071 C1078 R1079 | V1065-L1075 VanDerWaalsContact O-CD2 3.25Å; V1065-L1075 WeakPolarHBondContact O-CD2 2.78Å; I1066-L1075 WeakPolarHBondContact O-CD2 3.37Å; S1069-L1075 WeakPolarHBondContact O-CD1 3.2Å; S1069-L1075 WeakPolarHBondContact O-CD2 3.32Å; D1071-L1075 WeakPolarHBondContact O-CB 3.42Å; D1071-L1075 WeakPolarHBondContact O-CG 3.49Å; D1071-L1075 PolarHBondContact O-N 3.4Å; L1075-C1078 PolarHBondContact O-N 3.36Å; L1075-R1079 WeakPolarHBondContact O-CB 3.41Å; L1075-R1079 VanDerWaalsContact O-CG 3.3Å; L1075-R1079 WeakPolarHBondContact O-CG 3.49Å; L1075-R1079 PolarHBondContact O-N 3.35Å |
| 1076 | A | 52.7 | Low | 51.4 | Low | 59 Ų | 59 | 72.6 Ų | 72.6 | 49% | 0.488 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I1072 E1073 L1074 R1079 E1080 | I1072-A1076 WeakPolarHBondContact O-CB 3.44Å; I1072-A1076 PolarHBondContact O-N 3.43Å; E1073-A1076 PolarHBondContact O-N 3.28Å; L1074-A1076 VanDerWaalsContact C-N 3.34Å; L1074-A1076 PolarHBondContact O-N 3.22Å; A1076-R1079 PolarHBondContact O-N 3.47Å; A1076-E1080 PolarHBondContact O-N 2.98Å |
| 1077 | A | 61.3 | Low | 51.1 | Low | 15 Ų | 15 | 79.1 Ų | 79.1 | 12% | 0.124 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1054 E1073 L1074 E1081 | L1054-A1077 HydrophobicContact CD1-CB 3.59Å; E1073-A1077 WeakPolarHBondContact O-CB 3.42Å; E1073-A1077 PolarHBondContact O-N 3.34Å; L1074-A1077 PolarHBondContact O-N 3.15Å; A1077-E1081 PolarHBondContact O-N 3.07Å; A1077-E1081 VanDerWaalsContact O-N 3.14Å |
| 1078 | C | 55.8 | Low | 51.3 | Low | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 175.1 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | L1054 L1062 I1066 L1074 L1075 E1080 E1081 F1082 | L1054-C1078 HydrophobicContact CD1-CB 4.21Å; L1054-C1078 VanDerWaalsContact CD1-N 3.33Å; L1054-C1078 WeakPolarHBondContact CD1-SG 3.48Å; L1062-C1078 HydrophobicContact CD2-CB 3.92Å; I1066-C1078 HydrophobicContact CD1-CB 3.81Å; I1066-C1078 HydrophobicContact CG1-CB 3.47Å; I1066-C1078 VanDerWaalsContact CG1-CB 3.47Å; L1074-C1078 WeakPolarHBondContact O-CB 3.42Å; L1074-C1078 PolarHBondContact O-N 3.41Å; L1074-C1078 PolarHBondContact O-SG 3.16Å; L1074-C1078 VanDerWaalsContact O-SG 3.34Å; L1075-C1078 PolarHBondContact O-N 3.36Å; C1078-E1080 VanDerWaalsContact C-N 3.27Å; C1078-E1080 PolarHBondContact O-N 3.48Å; C1078-E1081 PolarHBondContact O-N 3.12Å; C1078-F1082 VanDerWaalsContact O-CB 3.29Å; C1078-F1082 WeakPolarHBondContact O-CB 3.26Å; C1078-F1082 PolarHBondContact O-N 3.07Å |
| 1079 | R | 52.8 | Low | 51.1 | Low | 134 Ų | 134 | 78.2 Ų | 78.2 | 51% | 0.506 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.4 | -35.6 | 177.9 | -73.3 | 177.3 | -176.6 | -172.8 | 1.4 | 112 | I1066 L1075 A1076 H1083 | I1066-R1079 HydrophobicContact CD1-CB 4.44Å; I1066-R1079 HydrophobicContact CD1-CG 3.78Å; I1066-R1079 HydrophobicContact CG1-CG 3.89Å; I1066-R1079 HydrophobicContact CG2-CG 4.11Å; L1075-R1079 WeakPolarHBondContact O-CB 3.41Å; L1075-R1079 VanDerWaalsContact O-CG 3.3Å; L1075-R1079 WeakPolarHBondContact O-CG 3.49Å; L1075-R1079 PolarHBondContact O-N 3.35Å; A1076-R1079 PolarHBondContact O-N 3.47Å; R1079-H1083 PolarHBondContact O-N 3.45Å; R1079-H1083 PolarHBondContact O-ND1 3.02Å |
| 1080 | E | 52.3 | Low | 50.9 | Low | 120 Ų | 120 | 81.9 Ų | 81.9 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.8 | -46.7 | 174.6 | -166.2 | -168.7 | -143 | 0 | 0 | 112.2 | K1050 A1076 C1078 F1082 H1083 R1084 | K1050-E1080 WeakPolarHBondContact CE-OE2 3.21Å; K1050-E1080 IonicContact NZ-OE2 2.62Å; K1050-E1080 PolarHBondContact NZ-OE2 3.28Å; A1076-E1080 PolarHBondContact O-N 2.98Å; C1078-E1080 VanDerWaalsContact C-N 3.27Å; C1078-E1080 PolarHBondContact O-N 3.48Å; E1080-F1082 PolarHBondContact O-N 3.34Å; E1080-H1083 PolarHBondContact O-N 3.12Å; E1080-R1084 WeakPolarHBondContact O-CB 3.36Å; E1080-R1084 PolarHBondContact O-N 3.38Å |
| 1081 | E | 51.3 | Low | 50.7 | Low | 15 Ų | 15 | 79.4 Ų | 79.4 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.3 | -35.5 | -178.9 | -167.5 | 59.2 | -147.6 | 0 | 0 | 112.1 | L1062 A1077 C1078 R1084 R1085 | L1062-E1081 HydrophobicContact CD1-CG 4.33Å; L1062-E1081 HydrophobicContact CD2-CB 4.41Å; A1077-E1081 PolarHBondContact O-N 3.07Å; A1077-E1081 VanDerWaalsContact O-N 3.14Å; C1078-E1081 PolarHBondContact O-N 3.12Å; E1081-R1084 VanDerWaalsContact CD-NH1 3.26Å; E1081-R1084 WeakPolarHBondContact O-CB 3.37Å; E1081-R1084 PolarHBondContact O-N 3.01Å; E1081-R1084 IonicContact OE1-CZ 3.22Å; E1081-R1084 IonicContact OE1-NE 3.5Å; E1081-R1084 IonicContact OE1-NH1 3.58Å; E1081-R1084 PolarHBondContact OE1-NH1 3.14Å; E1081-R1084 VanDerWaalsContact OE2-CD 3.28Å; E1081-R1084 WeakPolarHBondContact OE2-CD 3.24Å; E1081-R1084 IonicContact OE2-CZ 2.82Å; E1081-R1084 IonicContact OE2-NE 2.6Å; E1081-R1084 IonicContact OE2-NH1 3.12Å; E1081-R1084 PolarHBondContact OE2-NH1 3Å; E1081-R1085 WeakPolarHBondContact O-CG 3.39Å; E1081-R1085 PolarHBondContact O-N 3.09Å; E1081-R1085 IonicContact OE1-NE 2.78Å |
| 1082 | F | 49.3 | Very low | 49.6 | Very low | 44 Ų | 44 | 84.1 Ų | 84.1 | 19% | 0.193 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.8 | -52.5 | 171.8 | -171.5 | -91.5 | 0 | 0 | 0 | 111.4 | Y1059 R1063 I1066 C1078 E1080 R1084 R1085 L1086 | Y1059-F1082 HydrophobicContact CD1-CE2 4.13Å; Y1059-F1082 HydrophobicContact CE1-CD2 4.3Å; Y1059-F1082 AromaticContact CE1-CE2 3.42Å; Y1059-F1082 HydrophobicContact CE1-CE2 3.42Å; Y1059-F1082 VanDerWaalsContact CE1-CE2 3.42Å; Y1059-F1082 AromaticContact CE1-CZ 3.84Å; Y1059-F1082 HydrophobicContact CE1-CZ 3.84Å; Y1059-F1082 HydrophobicContact CE2-CD2 4.23Å; Y1059-F1082 HydrophobicContact CE2-CE2 4.07Å; Y1059-F1082 AromaticContact CZ-CD2 3.99Å; Y1059-F1082 AromaticContact CZ-CE2 3.39Å; Y1059-F1082 AromaticContact CZ-CZ 3.67Å; Y1059-F1082 VanDerWaalsContact OH-CZ 3.26Å; Y1059-F1082 WeakPolarHBondContact OH-CZ 3.5Å; R1063-F1082 HydrophobicContact CB-CE2 4.5Å; I1066-F1082 HydrophobicContact CD1-CB 4.17Å; I1066-F1082 HydrophobicContact CD1-CD2 4.41Å; I1066-F1082 HydrophobicContact CD1-CG 4.37Å; C1078-F1082 VanDerWaalsContact O-CB 3.29Å; C1078-F1082 WeakPolarHBondContact O-CB 3.26Å; C1078-F1082 PolarHBondContact O-N 3.07Å; E1080-F1082 PolarHBondContact O-N 3.34Å; F1082-R1084 VanDerWaalsContact C-N 3.32Å; F1082-R1084 PolarHBondContact O-N 2.94Å; F1082-R1085 PolarHBondContact O-N 3.41Å; F1082-L1086 HydrophobicContact CD1-CD1 3.8Å; F1082-L1086 HydrophobicContact CE1-CD1 3.54Å; F1082-L1086 HydrophobicContact CZ-CD1 4.39Å; F1082-L1086 PolarHBondContact O-N 2.86Å |
| 1083 | H | 48.2 | Very low | 48.5 | Very low | 117 Ų | 117 | 83 Ų | 83 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 176.3 | -78.6 | 95.8 | 0 | 0 | 0 | 113.4 | R1079 E1080 K1087 | R1079-H1083 PolarHBondContact O-N 3.45Å; R1079-H1083 PolarHBondContact O-ND1 3.02Å; E1080-H1083 PolarHBondContact O-N 3.12Å; H1083-K1087 PolarHBondContact O-N 3.49Å |
| 1084 | R | 54.7 | Low | 47.8 | Very low | 150 Ų | 150 | 81.5 Ų | 81.5 | 57% | 0.566 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 173.8 | 179 | -173.2 | 171.4 | -159.5 | -1.8 | 111 | E1080 E1081 F1082 K1087 V1088 | E1080-R1084 WeakPolarHBondContact O-CB 3.36Å; E1080-R1084 PolarHBondContact O-N 3.38Å; E1081-R1084 VanDerWaalsContact CD-NH1 3.26Å; E1081-R1084 WeakPolarHBondContact O-CB 3.37Å; E1081-R1084 PolarHBondContact O-N 3.01Å; E1081-R1084 IonicContact OE1-CZ 3.22Å; E1081-R1084 IonicContact OE1-NE 3.5Å; E1081-R1084 IonicContact OE1-NH1 3.58Å; E1081-R1084 PolarHBondContact OE1-NH1 3.14Å; E1081-R1084 VanDerWaalsContact OE2-CD 3.28Å; E1081-R1084 WeakPolarHBondContact OE2-CD 3.24Å; E1081-R1084 IonicContact OE2-CZ 2.82Å; E1081-R1084 IonicContact OE2-NE 2.6Å; E1081-R1084 IonicContact OE2-NH1 3.12Å; E1081-R1084 PolarHBondContact OE2-NH1 3Å; F1082-R1084 VanDerWaalsContact C-N 3.32Å; F1082-R1084 PolarHBondContact O-N 2.94Å; R1084-K1087 PolarHBondContact O-N 3.43Å; R1084-V1088 PolarHBondContact O-N 2.88Å |
| 1085 | R | 47.3 | Very low | 46.5 | Very low | 63 Ų | 63 | 87.9 Ų | 87.9 | 24% | 0.238 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.9 | -71.4 | 172.4 | 174.7 | -160.3 | 1.1 | 112 | L1054 S1055 W1057 L1062 E1081 F1082 K1087 V1088 Y1089 | L1054-R1085 PolarHBondContact O-NH2 3.4Å; S1055-R1085 PolarHBondContact O-NH2 2.9Å; W1057-R1085 VanDerWaalsContact O-CZ 3.26Å; W1057-R1085 PolarHBondContact O-NH1 3.16Å; W1057-R1085 PolarHBondContact O-NH2 2.94Å; L1062-R1085 VanDerWaalsContact CD1-NH1 3.3Å; E1081-R1085 WeakPolarHBondContact O-CG 3.39Å; E1081-R1085 PolarHBondContact O-N 3.09Å; E1081-R1085 IonicContact OE1-NE 2.78Å; F1082-R1085 PolarHBondContact O-N 3.41Å; R1085-K1087 PolarHBondContact O-N 3.5Å; R1085-V1088 WeakPolarHBondContact O-CA 3.45Å; R1085-V1088 WeakPolarHBondContact O-CB 3.39Å; R1085-V1088 PolarHBondContact O-N 3.5Å; R1085-Y1089 PolarHBondContact O-N 3.4Å |
| 1086 | L | 43.8 | Very low | 45.4 | Very low | 48 Ų | 48 | 89.4 Ų | 89.4 | 25% | 0.251 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 172 | -98.9 | 160.1 | 0 | 0 | 0 | 112.5 | F1082 V1088 Y1089 H1090 | F1082-L1086 HydrophobicContact CD1-CD1 3.8Å; F1082-L1086 HydrophobicContact CE1-CD1 3.54Å; F1082-L1086 HydrophobicContact CZ-CD1 4.39Å; F1082-L1086 PolarHBondContact O-N 2.86Å; L1086-V1088 PolarHBondContact O-N 2.95Å; L1086-Y1089 PolarHBondContact O-N 3.39Å; L1086-Y1089 VanDerWaalsContact O-N 3.15Å; L1086-H1090 PolarHBondContact O-CD2 3.29Å; L1086-H1090 VanDerWaalsContact O-CD2 3.28Å; L1086-H1090 PolarHBondContact O-N 2.91Å |
| 1087 | K | 42.5 | Very low | 44.5 | Very low | 159 Ų | 159 | 95.6 Ų | 95.6 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.4 | -29.6 | 174.9 | -99.8 | 165.1 | 177.6 | 150.9 | 0 | 113.5 | H1083 R1084 R1085 S1091 | H1083-K1087 PolarHBondContact O-N 3.49Å; R1084-K1087 PolarHBondContact O-N 3.43Å; R1085-K1087 PolarHBondContact O-N 3.5Å; K1087-S1091 VanDerWaalsContact O-CB 3.29Å; K1087-S1091 WeakPolarHBondContact O-CB 3.44Å; K1087-S1091 PolarHBondContact O-N 2.93Å; K1087-S1091 VanDerWaalsContact O-N 3.16Å; K1087-S1091 PolarHBondContact O-OG 3.4Å |
| 1088 | V | 41.8 | Very low | 43.3 | Very low | 97 Ų | 97 | 104 Ų | 104 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.4 | -45.9 | 171.9 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | R1084 R1085 L1086 H1090 S1091 W1092 | R1084-V1088 PolarHBondContact O-N 2.88Å; R1085-V1088 WeakPolarHBondContact O-CA 3.45Å; R1085-V1088 WeakPolarHBondContact O-CB 3.39Å; R1085-V1088 PolarHBondContact O-N 3.5Å; L1086-V1088 PolarHBondContact O-N 2.95Å; V1088-H1090 PolarHBondContact O-N 2.6Å; V1088-S1091 CarbonylContact O-C 3.59Å; V1088-S1091 WeakPolarHBondContact O-CB 2.76Å; V1088-S1091 PolarHBondContact O-N 3.41Å; V1088-S1091 VanDerWaalsContact O-N 3.14Å; V1088-W1092 WeakPolarHBondContact O-CB 3.47Å; V1088-W1092 PolarHBondContact O-N 2.81Å |
| 1089 | Y | 38.6 | Very low | 42.4 | Very low | 112 Ų | 112 | 111.4 Ų | 111.4 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 176.5 | 176.6 | -100.7 | 0 | 0 | 0 | 112.5 | R1085 L1086 S1091 W1092 K1093 | R1085-Y1089 PolarHBondContact O-N 3.4Å; L1086-Y1089 PolarHBondContact O-N 3.39Å; L1086-Y1089 VanDerWaalsContact O-N 3.15Å; Y1089-S1091 PolarHBondContact O-N 2.61Å; Y1089-W1092 HydrophobicContact CD2-CE3 4.17Å; Y1089-W1092 HydrophobicContact CD2-CZ3 4.4Å; Y1089-W1092 HydrophobicContact CE2-CE3 4.16Å; Y1089-W1092 AromaticContact CE2-CZ3 3.96Å; Y1089-W1092 HydrophobicContact CE2-CZ3 3.96Å; Y1089-W1092 WeakPolarHBondContact O-CB 3.34Å; Y1089-W1092 PolarHBondContact O-N 2.91Å; Y1089-K1093 HydrophobicContact CE1-CD 4.17Å; Y1089-K1093 WeakPolarHBondContact O-CB 3.36Å; Y1089-K1093 PolarHBondContact O-N 3.32Å |
| 1090 | H | 41.3 | Very low | 41.5 | Very low | 111 Ų | 111 | 112.3 Ų | 112.3 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 174.8 | -75.5 | -82 | 0 | 0 | 0 | 112.8 | L1086 V1088 W1092 S1094 | L1086-H1090 PolarHBondContact O-CD2 3.29Å; L1086-H1090 VanDerWaalsContact O-CD2 3.28Å; L1086-H1090 PolarHBondContact O-N 2.91Å; V1088-H1090 PolarHBondContact O-N 2.6Å; H1090-W1092 VanDerWaalsContact C-N 3.29Å; H1090-W1092 PolarHBondContact O-N 2.93Å; H1090-S1094 WeakPolarHBondContact O-CB 3.11Å; H1090-S1094 PolarHBondContact O-N 3.3Å |
| 1091 | S | 39.4 | Very low | 40.6 | Very low | 72 Ų | 72 | 114.3 Ų | 114.3 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.3 | -27.5 | 173.3 | -63 | 0 | 0 | 0 | 0 | 113.2 | K1087 V1088 Y1089 K1095 | K1087-S1091 VanDerWaalsContact O-CB 3.29Å; K1087-S1091 WeakPolarHBondContact O-CB 3.44Å; K1087-S1091 PolarHBondContact O-N 2.93Å; K1087-S1091 VanDerWaalsContact O-N 3.16Å; K1087-S1091 PolarHBondContact O-OG 3.4Å; V1088-S1091 CarbonylContact O-C 3.59Å; V1088-S1091 WeakPolarHBondContact O-CB 2.76Å; V1088-S1091 PolarHBondContact O-N 3.41Å; V1088-S1091 VanDerWaalsContact O-N 3.14Å; Y1089-S1091 PolarHBondContact O-N 2.61Å; S1091-K1095 WeakPolarHBondContact O-CG 3.38Å; S1091-K1095 PolarHBondContact O-N 3.12Å |
| 1092 | W | 37.5 | Very low | 39.6 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77 | -51.3 | 173.1 | 172.9 | 86.5 | 0 | 0 | 0 | 110.6 | V1088 Y1089 H1090 S1094 K1095 N1096 | V1088-W1092 WeakPolarHBondContact O-CB 3.47Å; V1088-W1092 PolarHBondContact O-N 2.81Å; Y1089-W1092 HydrophobicContact CD2-CE3 4.17Å; Y1089-W1092 HydrophobicContact CD2-CZ3 4.4Å; Y1089-W1092 HydrophobicContact CE2-CE3 4.16Å; Y1089-W1092 AromaticContact CE2-CZ3 3.96Å; Y1089-W1092 HydrophobicContact CE2-CZ3 3.96Å; Y1089-W1092 WeakPolarHBondContact O-CB 3.34Å; Y1089-W1092 PolarHBondContact O-N 2.91Å; H1090-W1092 VanDerWaalsContact C-N 3.29Å; H1090-W1092 PolarHBondContact O-N 2.93Å; W1092-S1094 VanDerWaalsContact C-N 3.3Å; W1092-S1094 PolarHBondContact O-N 3.02Å; W1092-K1095 WeakPolarHBondContact O-CB 3.24Å; W1092-K1095 PolarHBondContact O-N 3.29Å; W1092-N1096 VanDerWaalsContact CZ2-ND2 3.31Å; W1092-N1096 WeakPolarHBondContact CZ2-ND2 3.43Å; W1092-N1096 PolarHBondContact NE1-ND2 3.46Å; W1092-N1096 PolarHBondContact O-N 3.43Å; W1092-N1096 PolarHBondContact O-OD1 3.31Å |
| 1093 | K | 35.6 | Very low | 39 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -56.4 | -41.2 | 175.9 | -166.2 | 168.9 | -175.4 | 171.1 | 0 | 112.1 | Y1089 K1095 N1096 K1097 | Y1089-K1093 HydrophobicContact CE1-CD 4.17Å; Y1089-K1093 WeakPolarHBondContact O-CB 3.36Å; Y1089-K1093 PolarHBondContact O-N 3.32Å; K1093-K1095 VanDerWaalsContact C-N 3.33Å; K1093-K1095 PolarHBondContact O-N 3.45Å; K1093-N1096 PolarHBondContact O-N 3.05Å; K1093-K1097 PolarHBondContact O-N 3.44Å |
| 1094 | S | 38.7 | Very low | 38.1 | Very low | 86 Ų | 86 | 123 Ų | 123 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.1 | -20.6 | 175.6 | -179 | 0 | 0 | 0 | 0 | 114.6 | H1090 W1092 | H1090-S1094 WeakPolarHBondContact O-CB 3.11Å; H1090-S1094 PolarHBondContact O-N 3.3Å; W1092-S1094 VanDerWaalsContact C-N 3.3Å; W1092-S1094 PolarHBondContact O-N 3.02Å |
| 1095 | K | 36.5 | Very low | 37 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.5 | -43.9 | 171.7 | -87.2 | -172.9 | 164.7 | -157.1 | 0 | 111.2 | S1091 W1092 K1093 K1097 K1098 | S1091-K1095 WeakPolarHBondContact O-CG 3.38Å; S1091-K1095 PolarHBondContact O-N 3.12Å; W1092-K1095 WeakPolarHBondContact O-CB 3.24Å; W1092-K1095 PolarHBondContact O-N 3.29Å; K1093-K1095 VanDerWaalsContact C-N 3.33Å; K1093-K1095 PolarHBondContact O-N 3.45Å; K1095-K1097 VanDerWaalsContact C-N 3.29Å; K1095-K1097 PolarHBondContact O-N 3.35Å; K1095-K1098 WeakPolarHBondContact O-CA 3.47Å; K1095-K1098 PolarHBondContact O-N 3.25Å |
| 1096 | N | 33.1 | Very low | 36 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 33% | 0.332 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67 | -32.2 | -178.8 | -58.7 | 0.3 | 0 | 0 | 0 | 111.3 | W1092 K1093 K1098 Q1099 | W1092-N1096 VanDerWaalsContact CZ2-ND2 3.31Å; W1092-N1096 WeakPolarHBondContact CZ2-ND2 3.43Å; W1092-N1096 PolarHBondContact NE1-ND2 3.46Å; W1092-N1096 PolarHBondContact O-N 3.43Å; W1092-N1096 PolarHBondContact O-OD1 3.31Å; K1093-N1096 PolarHBondContact O-N 3.05Å; N1096-K1098 PolarHBondContact O-N 3.45Å; N1096-Q1099 PolarHBondContact O-N 3.48Å; N1096-Q1099 VanDerWaalsContact O-N 3.1Å |
| 1097 | K | 33.8 | Very low | 35.4 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 1.8 | 168.8 | -161.2 | 172.5 | 179.1 | 178.9 | 0 | 114.2 | K1093 K1095 | K1093-K1097 PolarHBondContact O-N 3.44Å; K1095-K1097 VanDerWaalsContact C-N 3.29Å; K1095-K1097 PolarHBondContact O-N 3.35Å |
| 1098 | K | 35.9 | Very low | 34.6 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 83% | 0.826 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 24.8 | 171.5 | -73.7 | -156.8 | 168.3 | -153.9 | 0 | 112.8 | K1095 N1096 | K1095-K1098 WeakPolarHBondContact O-CA 3.47Å; K1095-K1098 PolarHBondContact O-N 3.25Å; N1096-K1098 PolarHBondContact O-N 3.45Å |
| 1099 | Q | 35.8 | Very low | 34 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -142.4 | 14.2 | -176.3 | -144 | 170.9 | -5.3 | 0 | 0 | 115.2 | N1096 | N1096-Q1099 PolarHBondContact O-N 3.48Å; N1096-Q1099 VanDerWaalsContact O-N 3.1Å |
| 1100 | N | 33.9 | Very low | 33.7 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -119.6 | 71.2 | 170.7 | -72.5 | 26.1 | 0 | 0 | 0 | 108.5 | ||||
| 1101 | D | 34.2 | Very low | 33.2 | Very low | 163 Ų | 163 | 135 Ų | 135 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | trans | -147.1 | 30.2 | -175.6 | -156 | 21.7 | 0 | 0 | 0 | 111.4 | ||||
| 1102 | D | 29.9 | Very low | 32.7 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 91% | 0.914 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -160.2 | 137.2 | 171 | -146.8 | -15.8 | 0 | 0 | 0 | 107.8 | ||
| 1103 | G | 36.9 | Very low | 32.5 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | -135.1 | 138 | -155 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1104 | S | 29.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -168.7 | 131.7 | 148.4 | 9.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1105 | D | 30.7 | Very low | 32.3 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | 12.3 | 127.8 | 166.6 | -72.3 | -8.2 | 0 | 0 | 0 | 123.1 | ||||
| 1106 | M | 27.4 | Very low | 32 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | 67.2 | 152.1 | 139.6 | -65 | -81.7 | 176 | 0 | 0 | 116.8 | ||||
| 1107 | R | 30.5 | Very low | 32.4 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | cis | -157.1 | 144.7 | 15.7 | -140.4 | 161.5 | -162.3 | 157.8 | 3.5 | 108.6 | P1109 | R1107-P1109 VanDerWaalsContact O-CD 3.26Å; R1107-P1109 WeakPolarHBondContact O-CD 3.39Å | ||
| 1108 | V | 25.4 | Very low | 32.5 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | -70.4 | 120.9 | 165.9 | 175.9 | 0 | 0 | 0 | 0 | 109 | K1110 I1112 | V1108-K1110 PolarHBondContact O-N 3.49Å; V1108-I1112 HydrophobicContact CG1-CB 4.22Å; V1108-I1112 HydrophobicContact CG1-CD1 3.99Å | ||
| 1109 | P | 30.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -87.4 | 96.3 | -178.2 | -6.3 | 25.9 | 0 | 0 | 0 | 111.6 | R1107 S1111 | R1107-P1109 VanDerWaalsContact O-CD 3.26Å; R1107-P1109 WeakPolarHBondContact O-CD 3.39Å; P1109-S1111 VanDerWaalsContact C-N 3.26Å; P1109-S1111 PolarHBondContact O-N 3.04Å | ||
| 1110 | K | 31.1 | Very low | 32.1 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 74% | 0.735 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 43.6 | -0.2 | 144.3 | -77.9 | -158.2 | 166.8 | -150.5 | 0 | 123.3 | V1108 T1113 D1114 | V1108-K1110 PolarHBondContact O-N 3.49Å; K1110-T1113 WeakPolarHBondContact CA-OG1 3.41Å; K1110-T1113 PolarHBondContact O-OG1 3.2Å; K1110-T1113 VanDerWaalsContact O-OG1 3.08Å; K1110-D1114 VanDerWaalsContact O-CG 3.28Å |
| 1111 | S | 30.7 | Very low | 31.8 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -5.4 | 171.2 | 66 | 0 | 0 | 0 | 0 | 113 | P1109 | P1109-S1111 VanDerWaalsContact C-N 3.26Å; P1109-S1111 PolarHBondContact O-N 3.04Å |
| 1112 | I | 29.5 | Very low | 31.7 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 65% | 0.651 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -19.5 | 176.5 | -65.8 | 176.4 | 0 | 0 | 0 | 110.8 | V1108 | V1108-I1112 HydrophobicContact CG1-CB 4.22Å; V1108-I1112 HydrophobicContact CG1-CD1 3.99Å |
| 1113 | T | 33.6 | Very low | 32.5 | Very low | 76 Ų | 76 | 121.7 Ų | 121.7 | 47% | 0.466 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -51.1 | 169.3 | 36.3 | 0 | 0 | 0 | 0 | 111.1 | K1110 Y1115 A1116 | K1110-T1113 WeakPolarHBondContact CA-OG1 3.41Å; K1110-T1113 PolarHBondContact O-OG1 3.2Å; K1110-T1113 VanDerWaalsContact O-OG1 3.08Å; T1113-Y1115 VanDerWaalsContact C-N 3.32Å; T1113-Y1115 PolarHBondContact O-N 2.96Å; T1113-A1116 WeakPolarHBondContact O-CB 3.38Å; T1113-A1116 PolarHBondContact O-N 3.46Å |
| 1114 | D | 35.3 | Very low | 31.9 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 51% | 0.508 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -74.4 | -23.4 | -160.9 | -55.2 | 16.1 | 0 | 0 | 0 | 112.6 | K1110 | K1110-D1114 VanDerWaalsContact O-CG 3.28Å |
| 1115 | Y | 34.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 124.7 Ų | 124.7 | 69% | 0.694 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -82 | -12.6 | 174.4 | -148.5 | -92.5 | 0 | 0 | 0 | 113.4 | T1113 | T1113-Y1115 VanDerWaalsContact C-N 3.32Å; T1113-Y1115 PolarHBondContact O-N 2.96Å |
| 1116 | A | 31.5 | Very low | 32.7 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -86.2 | -24.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1113 | T1113-A1116 WeakPolarHBondContact O-CB 3.38Å; T1113-A1116 PolarHBondContact O-N 3.46Å |
| 1117 | E | 39.5 | Very low | 32.7 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -82 | -27.6 | -176.8 | -65.8 | -175.5 | 158.3 | 0 | 0 | 113.4 | ||
| 1118 | Q | 36.4 | Very low | 32.9 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -86 | -9.1 | -168.4 | -69.1 | -166.2 | -18.4 | 0 | 0 | 116.1 | ||
| 1119 | N | 31 | Very low | 33.5 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 48% | 0.481 | 70% | 0.7 | S | S | . | * | trans | -151.5 | 74.9 | -167.6 | -104.4 | -46.4 | 0 | 0 | 0 | 115.9 | R993 | R993-N1119 VanDerWaalsContact NH1-CG 3.28Å; R993-N1119 PolarHBondContact NH1-OD1 2.96Å; R993-N1119 PolarHBondContact NH2-OD1 3.38Å | ||
| 1120 | P | 33.3 | Very low | 33.6 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 149.9 | 173.9 | 29.1 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 1121 | A | 26.4 | Very low | 33.6 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 146.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1122 | P | 32.7 | Very low | 33.9 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 60% | 0.597 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 166.6 | -177.5 | -15 | 31.1 | 0 | 0 | 0 | 113.8 | ||
| 1123 | P | 46 | Very low | 34.3 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 149.2 | 174.7 | 33.8 | -34.5 | 0 | 0 | 0 | 112.6 | ||
| 1124 | T | 26.2 | Very low | 34.7 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | -120.6 | 150.2 | 163.4 | 22 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1125 | P | 35 | Very low | 35.8 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | -81.2 | 175 | -165.6 | 33.4 | -36.9 | 0 | 0 | 0 | 113.9 | ||||
| 1126 | A | 41.2 | Very low | 37.6 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | -73.3 | 132.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1127 | Q | 27.6 | Very low | 40.1 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -97.6 | 139.2 | 136.6 | -75.2 | 178.4 | -21.7 | 0 | 0 | 108.3 | ||||
| 1128 | H | 33.4 | Very low | 42.5 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.787 | 71% | 0.707 | S | S | * | * | trans | -136.8 | 158.9 | 177 | -97.5 | 22.4 | 0 | 0 | 0 | 109 | ||||
| 1129 | Q | 39 | Very low | 45.1 | Very low | 185 Ų | 185 | 122.4 Ų | 122.4 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 65.1 | 86.1 | 176.9 | -59.3 | 171.4 | -52.6 | 0 | 0 | 115.5 | ||
| 1130 | E | 31 | Very low | 47.9 | Very low | 194 Ų | 194 | 118.1 Ų | 118.1 | 91% | 0.907 | 65% | 0.652 | S | S | * | * | S | Bend | -170.6 | 28.7 | 122.5 | -106.7 | -178.5 | -167.1 | 0 | 0 | 116.2 | |||
| 1131 | V | 32.7 | Very low | 50.5 | Low | 151 Ų | 151 | 117.4 Ų | 117.4 | 92% | 0.915 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -129.4 | 63.6 | 170.3 | -166.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1132 | A | 37.4 | Very low | 53.2 | Low | 93 Ų | 93 | 114.9 Ų | 114.9 | 77% | 0.769 | 61% | 0.609 | S | S | * | * | trans | -136.1 | 27 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1133 | M | 35.9 | Very low | 55.4 | Low | 182 Ų | 182 | 113.8 Ų | 113.8 | 90% | 0.897 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -131 | 148.7 | 169.9 | -61.4 | -167.8 | 111.2 | 0 | 0 | 111.5 | ||
| 1134 | N | 42.9 | Very low | 56.7 | Low | 159 Ų | 159 | 110.3 Ų | 110.3 | 85% | 0.85 | 57% | 0.574 | S | S | * | * | trans | 64.9 | 46.3 | 176.1 | -65.2 | -22 | 0 | 0 | 0 | 118.7 | ||||
| 1135 | R | 59.3 | Low | 58.7 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | trans | -108 | 90.1 | 148.9 | -66.2 | -157.2 | -164.9 | 173.4 | 3.7 | 111.2 | Q1137 D1167 P1242 | R1135-Q1137 PolarHBondContact O-N 3.23Å; R1135-Q1137 PolarHBondContact O-NE2 3.03Å; R1135-D1167 WeakPolarHBondContact CB-OD1 3.49Å; R1135-D1167 WeakPolarHBondContact CD-OD1 3.47Å; R1135-D1167 IonicContact CZ-OD2 2.81Å; R1135-D1167 IonicContact NH1-OD1 2.8Å; R1135-D1167 IonicContact NH1-OD2 2.69Å; R1135-D1167 PolarHBondContact NH1-OD2 3.13Å; R1135-P1242 PolarHBondContact NH1-O 3.05Å | ||
| 1136 | Q | 71 | Confident | 59.7 | Low | 143 Ų | 143 | 105.5 Ų | 105.5 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | trans | -68.9 | 126.8 | 171.6 | -75.1 | -172.8 | -16.1 | 0 | 0 | 110.5 | G1168 | Q1136-G1168 PolarHBondContact O-N 3.25Å; Q1136-G1168 VanDerWaalsContact O-N 3.13Å | ||
| 1137 | Q | 84.8 | Confident | 60.3 | Low | 38 Ų | 38 | 106.1 Ų | 106.1 | 18% | 0.178 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.1 | 175.1 | -51.2 | -53.7 | -64.4 | 0 | 0 | 109.8 | R1135 Y1139 H1165 F1166 D1167 Y1244 | R1135-Q1137 PolarHBondContact O-N 3.23Å; R1135-Q1137 PolarHBondContact O-NE2 3.03Å; Q1137-Y1139 HydrophobicContact CB-CE2 3.99Å; Q1137-H1165 PolarHBondContact OE1-NE2 3.48Å; Q1137-F1166 WeakPolarHBondContact CA-O 3.3Å; Q1137-D1167 PolarHBondContact NE2-OD1 3.46Å; Q1137-D1167 PolarHBondContact OE1-OD1 3.12Å; Q1137-Y1244 VanDerWaalsContact CD-CB 3.43Å; Q1137-Y1244 HydrophobicContact CG-CD1 3.7Å; Q1137-Y1244 HydrophobicContact CG-CD2 4.28Å; Q1137-Y1244 HydrophobicContact CG-CE1 4.13Å; Q1137-Y1244 HydrophobicContact CG-CG 3.79Å; Q1137-Y1244 VanDerWaalsContact OE1-CB 3.27Å |
| 1138 | R | 89 | Confident | 61.6 | Low | 67 Ų | 67 | 101.1 Ų | 101.1 | 25% | 0.253 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.1 | -178.9 | -64 | -175.2 | 66.5 | 176.6 | 6.2 | 112 | F1140 H1165 F1166 L1200 E1212 | R1138-F1140 HydrophobicContact CB-CE2 3.75Å; R1138-F1140 HydrophobicContact CB-CZ 4.23Å; R1138-H1165 WeakPolarHBondContact O-CA 3.4Å; R1138-F1166 PolarHBondContact N-O 3.32Å; R1138-F1166 VanDerWaalsContact N-O 3.07Å; R1138-F1166 PolarHBondContact O-N 3.44Å; R1138-L1200 HydrophobicContact CB-CD2 4.23Å; R1138-E1212 IonicContact CZ-OE1 3.17Å; R1138-E1212 VanDerWaalsContact CZ-OE1 3.22Å; R1138-E1212 IonicContact CZ-OE2 2.69Å; R1138-E1212 IonicContact NE-OE1 3.89Å; R1138-E1212 PolarHBondContact NE-OE1 2.95Å; R1138-E1212 IonicContact NH2-OE1 2.71Å; R1138-E1212 PolarHBondContact NH2-OE1 3.27Å; R1138-E1212 IonicContact NH2-OE2 3.88Å; R1138-E1212 PolarHBondContact NH2-OE2 3.45Å |
| 1139 | Y | 90.8 | Very high | 62.7 | Low | 14 Ų | 14 | 94.9 Ų | 94.9 | 6% | 0.055 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.5 | -164.6 | -62.5 | -103.9 | 0 | 0 | 0 | 110.6 | Q1137 A1164 H1165 E1212 I1213 P1215 F1218 E1219 | Q1137-Y1139 HydrophobicContact CB-CE2 3.99Å; Y1139-A1164 WeakPolarHBondContact CA-O 3.47Å; Y1139-H1165 HydrophobicContact CD1-CB 3.91Å; Y1139-H1165 AromaticContact CD1-CD2 3.6Å; Y1139-H1165 HydrophobicContact CE1-CB 4.15Å; Y1139-H1165 AromaticContact CE1-CD2 3.18Å; Y1139-H1165 WeakPolarHBondContact CE1-CD2 3.37Å; Y1139-H1165 AromaticContact CE1-CG 3.92Å; Y1139-H1165 AromaticContact CE2-CD2 3.79Å; Y1139-H1165 AromaticContact CZ-CD2 3.29Å; Y1139-H1165 AromaticContact CZ-NE2 3.8Å; Y1139-E1212 WeakPolarHBondContact O-CA 3.48Å; Y1139-I1213 WeakPolarHBondContact O-CG1 3.35Å; Y1139-I1213 PolarHBondContact O-N 3.24Å; Y1139-P1215 HydrophobicContact CD2-CB 4.04Å; Y1139-P1215 HydrophobicContact CD2-CG 3.82Å; Y1139-P1215 HydrophobicContact CE1-CB 4.22Å; Y1139-P1215 HydrophobicContact CE2-CB 3.55Å; Y1139-P1215 HydrophobicContact CE2-CG 3.55Å; Y1139-F1218 HydrophobicContact CD1-CB 3.4Å; Y1139-F1218 AromaticContact CD1-CD1 3.89Å; Y1139-F1218 HydrophobicContact CD1-CD1 3.89Å; Y1139-F1218 AromaticContact CD1-CD2 3.99Å; Y1139-F1218 HydrophobicContact CD1-CD2 3.99Å; Y1139-F1218 AromaticContact CD1-CG 3.51Å; Y1139-F1218 HydrophobicContact CD1-CG 3.51Å; Y1139-F1218 HydrophobicContact CE1-CB 3.94Å; Y1139-F1218 AromaticContact CE1-CD1 3.93Å; Y1139-F1218 HydrophobicContact CE1-CD1 3.93Å; Y1139-F1218 HydrophobicContact CE1-CG 4.01Å; Y1139-F1218 HydrophobicContact CG-CB 4.31Å; Y1139-E1219 WeakPolarHBondContact CE1-OE1 3.4Å; Y1139-E1219 PolarHBondContact OH-OE1 3.27Å |
| 1140 | F | 90.5 | Very high | 63.5 | Low | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.1 | -174.3 | -60.8 | -90.1 | 0 | 0 | 0 | 112.2 | R1138 Y1163 A1164 F1166 L1200 L1205 T1206 A1211 E1212 | R1138-F1140 HydrophobicContact CB-CE2 3.75Å; R1138-F1140 HydrophobicContact CB-CZ 4.23Å; F1140-Y1163 CarbonylContact O-C 3.58Å; F1140-Y1163 VanDerWaalsContact O-CA 3.24Å; F1140-Y1163 WeakPolarHBondContact O-CA 3.47Å; F1140-A1164 PolarHBondContact N-O 3.28Å; F1140-A1164 PolarHBondContact O-N 3Å; F1140-F1166 AromaticContact CD2-CD2 3.77Å; F1140-F1166 HydrophobicContact CD2-CD2 3.77Å; F1140-F1166 AromaticContact CD2-CE2 3.79Å; F1140-F1166 HydrophobicContact CD2-CE2 3.79Å; F1140-F1166 AromaticContact CE2-CD2 3.96Å; F1140-F1166 HydrophobicContact CE2-CD2 3.96Å; F1140-F1166 HydrophobicContact CE2-CE2 4.19Å; F1140-L1200 HydrophobicContact CD2-CD1 4.25Å; F1140-L1200 HydrophobicContact CE2-CD1 3.44Å; F1140-L1200 VanDerWaalsContact CE2-CD1 3.44Å; F1140-L1200 HydrophobicContact CE2-CD2 4.3Å; F1140-L1200 HydrophobicContact CZ-CD1 3.69Å; F1140-L1205 HydrophobicContact CB-CD1 4.23Å; F1140-L1205 HydrophobicContact CD1-CB 3.81Å; F1140-L1205 HydrophobicContact CD1-CD1 4.47Å; F1140-L1205 HydrophobicContact CD2-CD1 4.45Å; F1140-L1205 HydrophobicContact CE1-CB 3.93Å; F1140-L1205 HydrophobicContact CG-CB 4.28Å; F1140-L1205 HydrophobicContact CG-CD1 4.12Å; F1140-L1205 HydrophobicContact CZ-CB 4.5Å; F1140-T1206 HydrophobicContact CZ-CG2 4.39Å; F1140-A1211 CarbonylContact C-O 3.57Å; F1140-A1211 VanDerWaalsContact CA-O 3.24Å; F1140-A1211 WeakPolarHBondContact CA-O 2.97Å; F1140-A1211 HydrophobicContact CD1-CB 4.49Å; F1140-E1212 HydrophobicContact CD1-CB 3.88Å; F1140-E1212 HydrophobicContact CD1-CG 4.27Å; F1140-E1212 HydrophobicContact CE1-CB 3.66Å; F1140-E1212 HydrophobicContact CE1-CG 3.83Å; F1140-E1212 HydrophobicContact CZ-CB 4.49Å; F1140-E1212 HydrophobicContact CZ-CG 4.18Å |
| 1141 | R | 88.6 | Confident | 64.7 | Low | 96 Ų | 96 | 92.6 Ų | 92.6 | 36% | 0.362 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.4 | 163.8 | 78 | -179.2 | 171.7 | 177.5 | -4.7 | 112.3 | W1161 W1162 Y1163 A1211 I1213 | R1141-W1161 HydrophobicContact CG-CE3 4.28Å; R1141-W1161 HydrophobicContact CG-CZ3 4.21Å; R1141-W1162 CarbonylContact C-O 3.58Å; R1141-W1162 VanDerWaalsContact CA-O 3.22Å; R1141-W1162 WeakPolarHBondContact CA-O 3.11Å; R1141-Y1163 HydrophobicContact CB-CD1 3.42Å; R1141-Y1163 VanDerWaalsContact CB-CD1 3.42Å; R1141-Y1163 HydrophobicContact CB-CE1 3.46Å; R1141-Y1163 VanDerWaalsContact CB-CE1 3.46Å; R1141-Y1163 HydrophobicContact CB-CG 4Å; R1141-Y1163 HydrophobicContact CG-CE1 4.23Å; R1141-A1211 PolarHBondContact N-O 2.97Å; R1141-A1211 WeakPolarHBondContact O-CA 3.39Å; R1141-I1213 HydrophobicContact CB-CD1 4.35Å; R1141-I1213 HydrophobicContact CB-CG2 4.36Å; R1141-I1213 HydrophobicContact CG-CG2 3.73Å |
| 1142 | I | 81.6 | Confident | 65.7 | Low | 31 Ų | 31 | 92.2 Ų | 92.2 | 16% | 0.159 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 124.9 | -179.4 | -46.8 | 174.1 | 0 | 0 | 0 | 109.1 | W1162 L1205 | I1142-W1162 HydrophobicContact CB-CE3 4.39Å; I1142-W1162 HydrophobicContact CD1-CE3 3.54Å; I1142-W1162 HydrophobicContact CD1-CZ3 3.62Å; I1142-W1162 HydrophobicContact CG1-CE3 3.86Å; I1142-W1162 HydrophobicContact CG1-CZ3 4.23Å; I1142-W1162 PolarHBondContact N-O 2.87Å; I1142-W1162 PolarHBondContact O-N 2.83Å; I1142-L1205 HydrophobicContact CD1-CD1 4.24Å; I1142-L1205 HydrophobicContact CD1-CD2 3.44Å; I1142-L1205 VanDerWaalsContact CD1-CD2 3.44Å; I1142-L1205 HydrophobicContact CD1-CG 4.5Å; I1142-L1205 HydrophobicContact CG1-CD2 4.32Å |
| 1143 | P | 79.2 | Confident | 66.4 | Low | 68 Ų | 68 | 93.7 Ų | 93.7 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 137.4 | 170 | 30.3 | -31.9 | 0 | 0 | 0 | 110.3 | G1160 W1161 | P1143-G1160 CarbonylContact C-O 3.56Å; P1143-G1160 WeakPolarHBondContact CA-O 3.27Å; P1143-W1161 HydrophobicContact CB-CD2 4.2Å; P1143-W1161 HydrophobicContact CB-CE3 3.9Å; P1143-W1161 HydrophobicContact CB-CH2 3.96Å; P1143-W1161 HydrophobicContact CB-CZ2 4.25Å; P1143-W1161 HydrophobicContact CB-CZ3 3.78Å; P1143-W1161 HydrophobicContact CG-CE3 4.47Å; P1143-W1161 HydrophobicContact CG-CH2 4.25Å; P1143-W1161 HydrophobicContact CG-CZ3 3.98Å |
| 1144 | F | 72.9 | Confident | 67.2 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 23% | 0.228 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 165.2 | 176.5 | 71.2 | -89.3 | 0 | 0 | 0 | 112.5 | G1160 W1161 W1162 E1176 H1178 | F1144-G1160 PolarHBondContact N-O 3.36Å; F1144-G1160 PolarHBondContact O-N 3.31Å; F1144-W1161 VanDerWaalsContact CE1-C 3.47Å; F1144-W1162 HydrophobicContact CD1-CB 3.9Å; F1144-W1162 HydrophobicContact CE1-CB 3.96Å; F1144-E1176 HydrophobicContact CE1-CG 4.25Å; F1144-E1176 HydrophobicContact CZ-CB 4.37Å; F1144-E1176 HydrophobicContact CZ-CG 4.32Å; F1144-H1178 AromaticContact CE2-CE1 3.93Å; F1144-H1178 AromaticContact CE2-ND1 3.9Å; F1144-H1178 AromaticContact CZ-CE1 3.61Å; F1144-H1178 AromaticContact CZ-ND1 3.58Å |
| 1145 | I | 67.9 | Low | 67.7 | Low | 79 Ų | 79 | 91.3 Ų | 91.3 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | trans | -129.6 | 134.4 | 179.5 | -59.2 | 174.2 | 0 | 0 | 0 | 106.6 | D1149 K1159 | I1145-D1149 HydrophobicContact CG2-CB 4.48Å; I1145-K1159 HydrophobicContact CG1-CG 4.47Å | ||
| 1146 | R | 57.3 | Low | 67.3 | Low | 69 Ų | 69 | 90.9 Ų | 90.9 | 26% | 0.26 | 45% | 0.454 | S | S | . | . | trans | -67.6 | 140.1 | 178.8 | -67.2 | -176.4 | -64.9 | -133.3 | -5.9 | 110.1 | A1148 D1149 Q1150 D1180 | R1146-A1148 PolarHBondContact O-N 3.22Å; R1146-A1148 VanDerWaalsContact O-N 3.16Å; R1146-D1149 IonicContact CZ-OD2 3.59Å; R1146-D1149 VanDerWaalsContact CZ-OD2 3.23Å; R1146-D1149 IonicContact NE-OD2 3.78Å; R1146-D1149 PolarHBondContact NE-OD2 2.93Å; R1146-D1149 IonicContact NH2-OD2 2.68Å; R1146-D1149 PolarHBondContact NH2-OD2 3.41Å; R1146-D1149 PolarHBondContact O-N 3.08Å; R1146-Q1150 PolarHBondContact O-N 3.08Å; R1146-D1180 IonicContact CZ-OD2 2.69Å; R1146-D1180 IonicContact NH1-OD2 3.95Å; R1146-D1180 PolarHBondContact NH1-OD2 3.32Å; R1146-D1180 IonicContact NH2-OD2 2.61Å; R1146-D1180 PolarHBondContact NH2-OD2 2.9Å | ||
| 1147 | P | 53.8 | Low | 66.7 | Low | 99 Ų | 99 | 87.7 Ų | 87.7 | 64% | 0.643 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -54.2 | -35 | 176.3 | -28.5 | 35.8 | 0 | 0 | 0 | 113.9 | D1149 Q1150 | P1147-D1149 VanDerWaalsContact C-N 3.28Å; P1147-D1149 PolarHBondContact O-N 3.12Å; P1147-Q1150 WeakPolarHBondContact O-CB 3.39Å; P1147-Q1150 PolarHBondContact O-N 3.1Å |
| 1148 | A | 55.4 | Low | 65.5 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -66.8 | -23.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1146 | R1146-A1148 PolarHBondContact O-N 3.22Å; R1146-A1148 VanDerWaalsContact O-N 3.16Å |
| 1149 | D | 54.9 | Low | 64.5 | Low | 38 Ų | 38 | 94.4 Ų | 94.4 | 20% | 0.203 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -98.2 | -1.4 | 179.1 | -65.1 | -49.7 | 0 | 0 | 0 | 112.4 | I1145 R1146 P1147 Y1151 K1152 | I1145-D1149 HydrophobicContact CG2-CB 4.48Å; R1146-D1149 IonicContact CZ-OD2 3.59Å; R1146-D1149 VanDerWaalsContact CZ-OD2 3.23Å; R1146-D1149 IonicContact NE-OD2 3.78Å; R1146-D1149 PolarHBondContact NE-OD2 2.93Å; R1146-D1149 IonicContact NH2-OD2 2.68Å; R1146-D1149 PolarHBondContact NH2-OD2 3.41Å; R1146-D1149 PolarHBondContact O-N 3.08Å; P1147-D1149 VanDerWaalsContact C-N 3.28Å; P1147-D1149 PolarHBondContact O-N 3.12Å; D1149-Y1151 VanDerWaalsContact C-N 3.3Å; D1149-Y1151 PolarHBondContact O-N 3.29Å; D1149-K1152 PolarHBondContact O-N 3.46Å |
| 1150 | Q | 55.9 | Low | 63.9 | Low | 118 Ų | 118 | 93.9 Ų | 93.9 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -32.7 | -172.4 | -159.6 | 163.3 | 7.5 | 0 | 0 | 112.6 | R1146 P1147 K1157 | R1146-Q1150 PolarHBondContact O-N 3.08Å; P1147-Q1150 WeakPolarHBondContact O-CB 3.39Å; P1147-Q1150 PolarHBondContact O-N 3.1Å; Q1150-K1157 PolarHBondContact O-NZ 2.96Å; Q1150-K1157 VanDerWaalsContact O-NZ 3.13Å |
| 1151 | Y | 56.1 | Low | 63.6 | Low | 214 Ų | 214 | 98.1 Ų | 98.1 | 84% | 0.839 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 7 | -175.9 | -65 | -82.9 | 0 | 0 | 0 | 115.5 | D1149 | D1149-Y1151 VanDerWaalsContact C-N 3.3Å; D1149-Y1151 PolarHBondContact O-N 3.29Å |
| 1152 | K | 53.9 | Low | 63.6 | Low | 142 Ų | 142 | 95.1 Ų | 95.1 | 62% | 0.617 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -90.5 | 166.8 | 176.1 | -74.7 | -178.7 | 178.8 | 172.6 | 0 | 112.7 | D1149 K1157 | D1149-K1152 PolarHBondContact O-N 3.46Å; K1152-K1157 WeakPolarHBondContact O-CE 3.39Å; K1152-K1157 PolarHBondContact O-NZ 2.93Å |
| 1153 | D | 52 | Low | 63.9 | Low | 125 Ų | 125 | 94.3 Ų | 94.3 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | trans | -57.1 | 140.1 | -169.2 | -155.6 | 17.5 | 0 | 0 | 0 | 113.2 | Q1155 | D1153-Q1155 VanDerWaalsContact C-N 3.29Å; D1153-Q1155 PolarHBondContact O-N 2.97Å | ||
| 1154 | P | 53.7 | Low | 64.3 | Low | 101 Ų | 101 | 91.1 Ų | 91.1 | 66% | 0.656 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -62 | -27.8 | -168.6 | -27.1 | 37.3 | 0 | 0 | 0 | 115.9 | N1156 | P1154-N1156 PolarHBondContact O-N 3.42Š|
| 1155 | Q | 52.5 | Low | 65.2 | Low | 190 Ų | 190 | 88.6 Ų | 88.6 | 89% | 0.888 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -78.2 | -14.2 | -170 | -67.7 | -171.6 | -7.4 | 0 | 0 | 115 | D1153 | D1153-Q1155 VanDerWaalsContact C-N 3.29Å; D1153-Q1155 PolarHBondContact O-N 2.97Å |
| 1156 | N | 51.7 | Low | 66.2 | Low | 138 Ų | 138 | 84.9 Ų | 84.9 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -127.6 | 35.7 | -174.6 | -148.1 | -15.9 | 0 | 0 | 0 | 114 | P1154 K1158 | P1154-N1156 PolarHBondContact O-N 3.42Å; N1156-K1158 PolarHBondContact O-N 3.3Å |
| 1157 | K | 58.6 | Low | 67.4 | Low | 77 Ų | 77 | 82.1 Ų | 82.1 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | trans | -82.7 | 90.8 | 179.9 | -66.9 | -168.5 | 175.7 | -173.9 | 0 | 112.3 | Q1150 K1152 K1159 | Q1150-K1157 PolarHBondContact O-NZ 2.96Å; Q1150-K1157 VanDerWaalsContact O-NZ 3.13Å; K1152-K1157 WeakPolarHBondContact O-CE 3.39Å; K1152-K1157 PolarHBondContact O-NZ 2.93Å; K1157-K1159 PolarHBondContact O-N 3.08Å | ||
| 1158 | K | 60.2 | Low | 68.8 | Low | 115 Ų | 115 | 78.2 Ų | 78.2 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 119.7 | 169.4 | -57.8 | -170.6 | -178 | -175.2 | 0 | 110.4 | N1156 P1179 D1180 | N1156-K1158 PolarHBondContact O-N 3.3Å; K1158-P1179 HydrophobicContact CB-CB 3.7Å; K1158-P1179 HydrophobicContact CB-CG 3.75Å; K1158-P1179 HydrophobicContact CD-CB 3.76Å; K1158-P1179 HydrophobicContact CG-CB 4.33Å; K1158-D1180 WeakPolarHBondContact CD-OD1 3.46Å; K1158-D1180 WeakPolarHBondContact CE-OD1 3.49Å; K1158-D1180 IonicContact NZ-OD1 2.66Å; K1158-D1180 PolarHBondContact NZ-OD1 3.28Å |
| 1159 | K | 67.8 | Low | 69.9 | Low | 130 Ų | 130 | 77.7 Ų | 77.7 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 133.3 | -177.6 | -63.2 | 174.5 | -175.1 | 171.4 | 0 | 111.3 | I1145 K1157 P1179 | I1145-K1159 HydrophobicContact CG1-CG 4.47Å; K1157-K1159 PolarHBondContact O-N 3.08Å; K1159-P1179 VanDerWaalsContact O-CG 3.27Å; K1159-P1179 WeakPolarHBondContact O-CG 3.49Å |
| 1160 | G | 77.1 | Confident | 71.1 | Confident | 3 Ų | 3 | 82.9 Ų | 82.9 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 166.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | P1143 F1144 L1177 | P1143-G1160 CarbonylContact C-O 3.56Å; P1143-G1160 WeakPolarHBondContact CA-O 3.27Å; F1144-G1160 PolarHBondContact N-O 3.36Å; F1144-G1160 PolarHBondContact O-N 3.31Å; G1160-L1177 CarbonylContact C-O 3.54Å; G1160-L1177 WeakPolarHBondContact CA-O 3.44Å |
| 1161 | W | 84.1 | Confident | 72.2 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.1 | 178.2 | -66.9 | 90.3 | 0 | 0 | 0 | 111.4 | R1141 P1143 F1144 Y1163 L1177 | R1141-W1161 HydrophobicContact CG-CE3 4.28Å; R1141-W1161 HydrophobicContact CG-CZ3 4.21Å; P1143-W1161 HydrophobicContact CB-CD2 4.2Å; P1143-W1161 HydrophobicContact CB-CE3 3.9Å; P1143-W1161 HydrophobicContact CB-CH2 3.96Å; P1143-W1161 HydrophobicContact CB-CZ2 4.25Å; P1143-W1161 HydrophobicContact CB-CZ3 3.78Å; P1143-W1161 HydrophobicContact CG-CE3 4.47Å; P1143-W1161 HydrophobicContact CG-CH2 4.25Å; P1143-W1161 HydrophobicContact CG-CZ3 3.98Å; F1144-W1161 VanDerWaalsContact CE1-C 3.47Å; W1161-Y1163 HydrophobicContact CB-CD2 4.27Å; W1161-Y1163 HydrophobicContact CB-CE2 3.54Å; W1161-Y1163 HydrophobicContact CG-CE2 4.47Å; W1161-L1177 HydrophobicContact CB-CB 4.38Å; W1161-L1177 PolarHBondContact N-O 3.15Å; W1161-L1177 PolarHBondContact O-N 3.41Å |
| 1162 | W | 88.2 | Confident | 73.7 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.5 | 172.2 | -177.6 | 94.7 | 0 | 0 | 0 | 108.4 | R1141 I1142 F1144 A1164 I1171 Q1174 E1176 C1196 L1205 | R1141-W1162 CarbonylContact C-O 3.58Å; R1141-W1162 VanDerWaalsContact CA-O 3.22Å; R1141-W1162 WeakPolarHBondContact CA-O 3.11Å; I1142-W1162 HydrophobicContact CB-CE3 4.39Å; I1142-W1162 HydrophobicContact CD1-CE3 3.54Å; I1142-W1162 HydrophobicContact CD1-CZ3 3.62Å; I1142-W1162 HydrophobicContact CG1-CE3 3.86Å; I1142-W1162 HydrophobicContact CG1-CZ3 4.23Å; I1142-W1162 PolarHBondContact N-O 2.87Å; I1142-W1162 PolarHBondContact O-N 2.83Å; F1144-W1162 HydrophobicContact CD1-CB 3.9Å; F1144-W1162 HydrophobicContact CE1-CB 3.96Å; W1162-A1164 HydrophobicContact CE3-CB 4.17Å; W1162-A1164 HydrophobicContact CH2-CB 3.28Å; W1162-A1164 HydrophobicContact CZ2-CB 3.8Å; W1162-A1164 HydrophobicContact CZ3-CB 3.47Å; W1162-A1164 VanDerWaalsContact CZ3-CB 3.47Å; W1162-I1171 HydrophobicContact CH2-CD1 4.11Å; W1162-I1171 HydrophobicContact CZ2-CD1 4.07Å; W1162-Q1174 HydrophobicContact CZ2-CG 4.33Å; W1162-Q1174 VanDerWaalsContact NE1-CD 3.33Å; W1162-Q1174 VanDerWaalsContact NE1-NE2 3.11Å; W1162-E1176 HydrophobicContact CB-CG 4.35Å; W1162-E1176 VanDerWaalsContact CD1-CG 3.47Å; W1162-E1176 HydrophobicContact CG-CG 4.24Å; W1162-C1196 HydrophobicContact CZ2-CB 4.39Å; W1162-L1205 HydrophobicContact CH2-CD1 4.32Å; W1162-L1205 HydrophobicContact CZ3-CD1 3.98Å |
| 1163 | Y | 88.5 | Confident | 75.4 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.4 | 174.8 | -62 | -108.7 | 0 | 0 | 0 | 109.8 | F1140 R1141 W1161 Q1174 M1175 L1177 I1213 I1221 | F1140-Y1163 CarbonylContact O-C 3.58Å; F1140-Y1163 VanDerWaalsContact O-CA 3.24Å; F1140-Y1163 WeakPolarHBondContact O-CA 3.47Å; R1141-Y1163 HydrophobicContact CB-CD1 3.42Å; R1141-Y1163 VanDerWaalsContact CB-CD1 3.42Å; R1141-Y1163 HydrophobicContact CB-CE1 3.46Å; R1141-Y1163 VanDerWaalsContact CB-CE1 3.46Å; R1141-Y1163 HydrophobicContact CB-CG 4Å; R1141-Y1163 HydrophobicContact CG-CE1 4.23Å; W1161-Y1163 HydrophobicContact CB-CD2 4.27Å; W1161-Y1163 HydrophobicContact CB-CE2 3.54Å; W1161-Y1163 HydrophobicContact CG-CE2 4.47Å; Y1163-Q1174 CarbonylContact O-C 3.49Å; Y1163-Q1174 WeakPolarHBondContact O-CA 3.46Å; Y1163-M1175 HydrophobicContact CD1-CE 4.32Å; Y1163-M1175 HydrophobicContact CD2-CE 4.44Å; Y1163-M1175 HydrophobicContact CD2-CG 4.3Å; Y1163-M1175 HydrophobicContact CG-CE 3.98Å; Y1163-M1175 HydrophobicContact CG-CG 4.33Å; Y1163-M1175 PolarHBondContact N-O 3.34Å; Y1163-M1175 PolarHBondContact O-N 3.44Å; Y1163-L1177 HydrophobicContact CD2-CD1 4.5Å; Y1163-L1177 HydrophobicContact CD2-CG 4.37Å; Y1163-L1177 HydrophobicContact CE2-CD1 3.69Å; Y1163-L1177 HydrophobicContact CE2-CG 3.98Å; Y1163-I1213 HydrophobicContact CD1-CD1 3.82Å; Y1163-I1213 HydrophobicContact CE1-CD1 4.12Å; Y1163-I1221 HydrophobicContact CE2-CG2 4.28Å |
| 1164 | A | 88 | Confident | 77.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 145 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1139 F1140 W1162 F1166 I1171 R1173 | Y1139-A1164 WeakPolarHBondContact CA-O 3.47Å; F1140-A1164 PolarHBondContact N-O 3.28Å; F1140-A1164 PolarHBondContact O-N 3Å; W1162-A1164 HydrophobicContact CE3-CB 4.17Å; W1162-A1164 HydrophobicContact CH2-CB 3.28Å; W1162-A1164 HydrophobicContact CZ2-CB 3.8Å; W1162-A1164 HydrophobicContact CZ3-CB 3.47Å; W1162-A1164 VanDerWaalsContact CZ3-CB 3.47Å; A1164-F1166 HydrophobicContact CB-CD2 4.45Å; A1164-F1166 HydrophobicContact CB-CE2 3.94Å; A1164-I1171 HydrophobicContact CB-CD1 4.09Å; A1164-I1171 HydrophobicContact CB-CG1 4.49Å; A1164-I1171 HydrophobicContact CB-CG2 4.39Å; A1164-R1173 WeakPolarHBondContact CA-O 3.38Å |
| 1165 | H | 91.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.6 | 176 | 157.3 | -94 | 0 | 0 | 0 | 108.8 | Q1137 R1138 Y1139 A1172 R1173 F1218 | Q1137-H1165 PolarHBondContact OE1-NE2 3.48Å; R1138-H1165 WeakPolarHBondContact O-CA 3.4Å; Y1139-H1165 HydrophobicContact CD1-CB 3.91Å; Y1139-H1165 AromaticContact CD1-CD2 3.6Å; Y1139-H1165 HydrophobicContact CE1-CB 4.15Å; Y1139-H1165 AromaticContact CE1-CD2 3.18Å; Y1139-H1165 WeakPolarHBondContact CE1-CD2 3.37Å; Y1139-H1165 AromaticContact CE1-CG 3.92Å; Y1139-H1165 AromaticContact CE2-CD2 3.79Å; Y1139-H1165 AromaticContact CZ-CD2 3.29Å; Y1139-H1165 AromaticContact CZ-NE2 3.8Å; H1165-A1172 PolarHBondContact O-N 3.08Å; H1165-R1173 HydrophobicContact CB-CB 4.16Å; H1165-R1173 PolarHBondContact N-O 3.45Å; H1165-R1173 PolarHBondContact ND1-NE 2.95Å; H1165-R1173 PolarHBondContact NE2-NH2 2.85Å; H1165-R1173 PolarHBondContact O-N 3.29Å; H1165-F1218 HydrophobicContact CB-CD1 4.42Å; H1165-F1218 HydrophobicContact CB-CD2 4.39Å; H1165-F1218 HydrophobicContact CB-CE1 3.89Å; H1165-F1218 HydrophobicContact CB-CE2 3.84Å; H1165-F1218 HydrophobicContact CB-CZ 3.57Å |
| 1166 | F | 88.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.7 | -179.1 | -68.6 | -104.9 | 0 | 0 | 0 | 110.5 | Q1137 R1138 F1140 A1164 W1170 I1171 L1200 L1205 | Q1137-F1166 WeakPolarHBondContact CA-O 3.3Å; R1138-F1166 PolarHBondContact N-O 3.32Å; R1138-F1166 VanDerWaalsContact N-O 3.07Å; R1138-F1166 PolarHBondContact O-N 3.44Å; F1140-F1166 AromaticContact CD2-CD2 3.77Å; F1140-F1166 HydrophobicContact CD2-CD2 3.77Å; F1140-F1166 AromaticContact CD2-CE2 3.79Å; F1140-F1166 HydrophobicContact CD2-CE2 3.79Å; F1140-F1166 AromaticContact CE2-CD2 3.96Å; F1140-F1166 HydrophobicContact CE2-CD2 3.96Å; F1140-F1166 HydrophobicContact CE2-CE2 4.19Å; A1164-F1166 HydrophobicContact CB-CD2 4.45Å; A1164-F1166 HydrophobicContact CB-CE2 3.94Å; F1166-W1170 CarbonylContact C-O 3.6Å; F1166-W1170 VanDerWaalsContact CA-O 3.23Å; F1166-W1170 WeakPolarHBondContact CA-O 3.5Å; F1166-I1171 HydrophobicContact CD1-CG1 3.76Å; F1166-I1171 HydrophobicContact CD2-CG1 4.29Å; F1166-I1171 HydrophobicContact CE1-CD1 4.18Å; F1166-I1171 HydrophobicContact CE1-CG1 3.36Å; F1166-I1171 HydrophobicContact CE2-CD1 4.37Å; F1166-I1171 HydrophobicContact CE2-CG1 3.94Å; F1166-I1171 HydrophobicContact CG-CG1 4.22Å; F1166-I1171 HydrophobicContact CZ-CD1 3.86Å; F1166-I1171 HydrophobicContact CZ-CG1 3.47Å; F1166-I1171 VanDerWaalsContact CZ-CG1 3.47Å; F1166-L1200 HydrophobicContact CB-CD2 4.43Å; F1166-L1200 HydrophobicContact CD1-CB 3.69Å; F1166-L1200 HydrophobicContact CD1-CD1 4.15Å; F1166-L1200 HydrophobicContact CD1-CG 4.33Å; F1166-L1200 HydrophobicContact CD2-CD1 4.01Å; F1166-L1200 HydrophobicContact CE1-CB 3.79Å; F1166-L1200 HydrophobicContact CE1-CD1 4.01Å; F1166-L1200 HydrophobicContact CE1-CG 4.46Å; F1166-L1200 HydrophobicContact CE2-CD1 3.88Å; F1166-L1200 HydrophobicContact CG-CB 4.33Å; F1166-L1200 HydrophobicContact CG-CD1 4.15Å; F1166-L1200 HydrophobicContact CG-CD2 4.4Å; F1166-L1200 HydrophobicContact CZ-CB 4.49Å; F1166-L1200 HydrophobicContact CZ-CD1 3.87Å; F1166-L1205 HydrophobicContact CE2-CD1 4.21Å; F1166-L1205 HydrophobicContact CZ-CD1 4.3Å |
| 1167 | D | 83.8 | Confident | 82 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 90.9 | 171.4 | -178.2 | 9.2 | 0 | 0 | 0 | 108 | R1135 Q1137 W1170 A1172 T1243 Y1244 | R1135-D1167 WeakPolarHBondContact CB-OD1 3.49Å; R1135-D1167 WeakPolarHBondContact CD-OD1 3.47Å; R1135-D1167 IonicContact CZ-OD2 2.81Å; R1135-D1167 IonicContact NH1-OD1 2.8Å; R1135-D1167 IonicContact NH1-OD2 2.69Å; R1135-D1167 PolarHBondContact NH1-OD2 3.13Å; Q1137-D1167 PolarHBondContact NE2-OD1 3.46Å; Q1137-D1167 PolarHBondContact OE1-OD1 3.12Å; D1167-W1170 PolarHBondContact N-O 3.05Å; D1167-A1172 HydrophobicContact CB-CB 3.74Å; D1167-T1243 WeakPolarHBondContact OD2-CA 3.4Å; D1167-T1243 VanDerWaalsContact OD2-CB 3.3Å; D1167-T1243 WeakPolarHBondContact OD2-CB 3.49Å; D1167-Y1244 PolarHBondContact OD2-N 3.01Å |
| 1168 | G | 82.6 | Confident | 83 | Confident | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -133.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1136 W1170 | Q1136-G1168 PolarHBondContact O-N 3.25Å; Q1136-G1168 VanDerWaalsContact O-N 3.13Å; G1168-W1170 PolarHBondContact O-N 2.74Å |
| 1169 | P | 77.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 34.3 Ų | 34.3 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.4 | -174.3 | 30.6 | -33.9 | 0 | 0 | 0 | 114.9 | S1199 L1200 | P1169-S1199 CarbonylContact O-C 3.57Å; P1169-S1199 VanDerWaalsContact O-CA 3.32Å; P1169-S1199 WeakPolarHBondContact O-CA 3.44Å; P1169-L1200 PolarHBondContact O-N 3.45Å |
| 1170 | W | 80.8 | Confident | 83.6 | Confident | 146 Ų | 146 | 31.9 Ų | 31.9 | 55% | 0.553 | 16% | 0.158 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.5 | -172.1 | -57.1 | 114.9 | 0 | 0 | 0 | 112.7 | F1166 D1167 G1168 A1172 E1197 | F1166-W1170 CarbonylContact C-O 3.6Å; F1166-W1170 VanDerWaalsContact CA-O 3.23Å; F1166-W1170 WeakPolarHBondContact CA-O 3.5Å; D1167-W1170 PolarHBondContact N-O 3.05Å; G1168-W1170 PolarHBondContact O-N 2.74Å; W1170-A1172 PolarHBondContact O-N 3.12Å; W1170-E1197 WeakPolarHBondContact CZ3-O 3.16Å |
| 1171 | I | 79.9 | Confident | 83.3 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.1 | 175 | -57.4 | -178.7 | 0 | 0 | 0 | 109.9 | W1162 A1164 F1166 R1173 Q1174 M1195 C1196 | W1162-I1171 HydrophobicContact CH2-CD1 4.11Å; W1162-I1171 HydrophobicContact CZ2-CD1 4.07Å; A1164-I1171 HydrophobicContact CB-CD1 4.09Å; A1164-I1171 HydrophobicContact CB-CG1 4.49Å; A1164-I1171 HydrophobicContact CB-CG2 4.39Å; F1166-I1171 HydrophobicContact CD1-CG1 3.76Å; F1166-I1171 HydrophobicContact CD2-CG1 4.29Å; F1166-I1171 HydrophobicContact CE1-CD1 4.18Å; F1166-I1171 HydrophobicContact CE1-CG1 3.36Å; F1166-I1171 HydrophobicContact CE2-CD1 4.37Å; F1166-I1171 HydrophobicContact CE2-CG1 3.94Å; F1166-I1171 HydrophobicContact CG-CG1 4.22Å; F1166-I1171 HydrophobicContact CZ-CD1 3.86Å; F1166-I1171 HydrophobicContact CZ-CG1 3.47Å; F1166-I1171 VanDerWaalsContact CZ-CG1 3.47Å; I1171-R1173 WeakPolarHBondContact CG2-O 3.47Å; I1171-Q1174 HydrophobicContact CG2-CB 4.18Å; I1171-M1195 HydrophobicContact CB-CE 3.9Å; I1171-M1195 HydrophobicContact CG2-CE 3.67Å; I1171-M1195 VanDerWaalsContact O-CE 3.31Å; I1171-M1195 WeakPolarHBondContact O-CE 3.48Å; I1171-C1196 HydrophobicContact CD1-CB 3.79Å |
| 1172 | A | 85.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -29.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1165 D1167 W1170 A1188 T1243 | H1165-A1172 PolarHBondContact O-N 3.08Å; D1167-A1172 HydrophobicContact CB-CB 3.74Å; W1170-A1172 PolarHBondContact O-N 3.12Å; A1172-A1188 PolarHBondContact O-N 3.26Å; A1172-T1243 HydrophobicContact CB-CG2 3.75Å |
| 1173 | R | 90.4 | Very high | 82.4 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 135.9 | -180 | -67.4 | -179.9 | -69.2 | 164.6 | -3.8 | 110.8 | A1164 H1165 I1171 L1186 F1218 E1219 W1222 A1245 | A1164-R1173 WeakPolarHBondContact CA-O 3.38Å; H1165-R1173 HydrophobicContact CB-CB 4.16Å; H1165-R1173 PolarHBondContact N-O 3.45Å; H1165-R1173 PolarHBondContact ND1-NE 2.95Å; H1165-R1173 PolarHBondContact NE2-NH2 2.85Å; H1165-R1173 PolarHBondContact O-N 3.29Å; I1171-R1173 WeakPolarHBondContact CG2-O 3.47Å; R1173-L1186 WeakPolarHBondContact CA-O 3.41Å; R1173-F1218 HydrophobicContact CB-CE1 4.39Å; R1173-F1218 HydrophobicContact CB-CZ 4.09Å; R1173-E1219 IonicContact CZ-OE1 3.63Å; R1173-E1219 IonicContact CZ-OE2 2.76Å; R1173-E1219 IonicContact NH1-OE1 3.56Å; R1173-E1219 PolarHBondContact NH1-OE1 2.94Å; R1173-E1219 IonicContact NH1-OE2 3.4Å; R1173-E1219 PolarHBondContact NH1-OE2 3.13Å; R1173-E1219 IonicContact NH2-OE1 3.82Å; R1173-E1219 PolarHBondContact NH2-OE1 3.31Å; R1173-E1219 IonicContact NH2-OE2 2.73Å; R1173-W1222 HydrophobicContact CB-CE3 4.41Å; R1173-W1222 HydrophobicContact CB-CH2 3.61Å; R1173-W1222 HydrophobicContact CB-CZ2 4.2Å; R1173-W1222 HydrophobicContact CB-CZ3 3.71Å; R1173-W1222 HydrophobicContact CG-CH2 3.73Å; R1173-W1222 HydrophobicContact CG-CZ2 3.87Å; R1173-W1222 HydrophobicContact CG-CZ3 4.3Å; R1173-A1245 HydrophobicContact CG-CB 4.46Å; R1173-A1245 VanDerWaalsContact NE-CB 3.35Å |
| 1174 | Q | 86.9 | Confident | 82.1 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.8 | 178.2 | 173.9 | 177.6 | -35.2 | 0 | 0 | 109.7 | W1162 Y1163 I1171 L1186 M1195 C1196 | W1162-Q1174 HydrophobicContact CZ2-CG 4.33Å; W1162-Q1174 VanDerWaalsContact NE1-CD 3.33Å; W1162-Q1174 VanDerWaalsContact NE1-NE2 3.11Å; Y1163-Q1174 CarbonylContact O-C 3.49Å; Y1163-Q1174 WeakPolarHBondContact O-CA 3.46Å; I1171-Q1174 HydrophobicContact CG2-CB 4.18Å; Q1174-L1186 HydrophobicContact CB-CB 4.31Å; Q1174-L1186 HydrophobicContact CG-CD1 4.4Å; Q1174-L1186 PolarHBondContact N-O 3.42Å; Q1174-L1186 PolarHBondContact O-N 3.02Å; Q1174-M1195 HydrophobicContact CB-CG 4.36Å; Q1174-C1196 VanDerWaalsContact OE1-N 3.13Å |
| 1175 | M | 89.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.4 | 171.4 | 59.3 | 178.7 | 158.1 | 0 | 0 | 113 | Y1163 I1184 V1185 F1218 I1221 W1222 | Y1163-M1175 HydrophobicContact CD1-CE 4.32Å; Y1163-M1175 HydrophobicContact CD2-CE 4.44Å; Y1163-M1175 HydrophobicContact CD2-CG 4.3Å; Y1163-M1175 HydrophobicContact CG-CE 3.98Å; Y1163-M1175 HydrophobicContact CG-CG 4.33Å; Y1163-M1175 PolarHBondContact N-O 3.34Å; Y1163-M1175 PolarHBondContact O-N 3.44Å; M1175-I1184 CarbonylContact C-O 3.49Å; M1175-I1184 WeakPolarHBondContact CA-O 3.44Å; M1175-I1184 VanDerWaalsContact CB-O 3.32Å; M1175-I1184 WeakPolarHBondContact CB-O 3.45Å; M1175-V1185 HydrophobicContact CB-CG2 4.2Å; M1175-F1218 HydrophobicContact CE-CD1 4.18Å; M1175-F1218 HydrophobicContact CE-CD2 3.8Å; M1175-F1218 HydrophobicContact CE-CE1 4.09Å; M1175-F1218 HydrophobicContact CE-CE2 3.71Å; M1175-F1218 HydrophobicContact CE-CG 4.03Å; M1175-F1218 HydrophobicContact CE-CZ 3.86Å; M1175-I1221 HydrophobicContact CE-CB 3.99Å; M1175-I1221 HydrophobicContact CE-CG2 3.76Å; M1175-I1221 HydrophobicContact SD-CG2 3.9Å; M1175-W1222 HydrophobicContact CB-CE3 4.4Å; M1175-W1222 HydrophobicContact CB-CZ3 4.27Å; M1175-W1222 HydrophobicContact CE-CB 4.04Å; M1175-W1222 HydrophobicContact CE-CE3 4.13Å; M1175-W1222 HydrophobicContact CG-CE3 4.25Å; M1175-W1222 HydrophobicContact SD-CB 4.37Å; M1175-W1222 HydrophobicContact SD-CE3 3.83Å |
| 1176 | E | 86.9 | Confident | 82 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.6 | 179.5 | -74.8 | -179.2 | -140.6 | 0 | 0 | 111.5 | F1144 W1162 H1178 P1183 I1184 | F1144-E1176 HydrophobicContact CE1-CG 4.25Å; F1144-E1176 HydrophobicContact CZ-CB 4.37Å; F1144-E1176 HydrophobicContact CZ-CG 4.32Å; W1162-E1176 HydrophobicContact CB-CG 4.35Å; W1162-E1176 VanDerWaalsContact CD1-CG 3.47Å; W1162-E1176 HydrophobicContact CG-CG 4.24Å; E1176-H1178 IonicContact OE2-CE1 3.73Å; E1176-P1183 WeakPolarHBondContact O-CA 3.19Å; E1176-I1184 HydrophobicContact CB-CB 4.33Å; E1176-I1184 PolarHBondContact N-O 2.92Å; E1176-I1184 PolarHBondContact O-N 3.1Å |
| 1177 | L | 84.7 | Confident | 81.8 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.6 | 175.1 | -48.6 | -171.5 | 0 | 0 | 0 | 109.1 | G1160 W1161 Y1163 P1183 I1221 C1225 | G1160-L1177 CarbonylContact C-O 3.54Å; G1160-L1177 WeakPolarHBondContact CA-O 3.44Å; W1161-L1177 HydrophobicContact CB-CB 4.38Å; W1161-L1177 PolarHBondContact N-O 3.15Å; W1161-L1177 PolarHBondContact O-N 3.41Å; Y1163-L1177 HydrophobicContact CD2-CD1 4.5Å; Y1163-L1177 HydrophobicContact CD2-CG 4.37Å; Y1163-L1177 HydrophobicContact CE2-CD1 3.69Å; Y1163-L1177 HydrophobicContact CE2-CG 3.98Å; L1177-P1183 HydrophobicContact CD2-CB 3.88Å; L1177-P1183 HydrophobicContact CD2-CG 4.14Å; L1177-I1221 HydrophobicContact CD1-CG2 3.83Å; L1177-C1225 WeakPolarHBondContact CD2-SG 3.43Å |
| 1178 | H | 79.8 | Confident | 81.6 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | trans | -100.8 | 140.9 | 172.9 | -59.4 | -51.4 | 0 | 0 | 0 | 110.6 | F1144 E1176 D1180 K1181 I1184 | F1144-H1178 AromaticContact CE2-CE1 3.93Å; F1144-H1178 AromaticContact CE2-ND1 3.9Å; F1144-H1178 AromaticContact CZ-CE1 3.61Å; F1144-H1178 AromaticContact CZ-ND1 3.58Å; E1176-H1178 IonicContact OE2-CE1 3.73Å; H1178-D1180 PolarHBondContact O-N 3.13Å; H1178-D1180 VanDerWaalsContact O-N 3.17Å; H1178-K1181 HydrophobicContact CB-CB 3.96Å; H1178-I1184 WeakPolarHBondContact NE2-CD1 3.14Å | ||
| 1179 | P | 71.5 | Confident | 81.3 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.3 | 179 | -25.9 | 37.7 | 0 | 0 | 0 | 116.1 | K1158 K1159 | K1158-P1179 HydrophobicContact CB-CB 3.7Å; K1158-P1179 HydrophobicContact CB-CG 3.75Å; K1158-P1179 HydrophobicContact CD-CB 3.76Å; K1158-P1179 HydrophobicContact CG-CB 4.33Å; K1159-P1179 VanDerWaalsContact O-CG 3.27Å; K1159-P1179 WeakPolarHBondContact O-CG 3.49Å |
| 1180 | D | 69.4 | Low | 81.3 | Confident | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 16.6 | -172.9 | -35.2 | -79.7 | 0 | 0 | 0 | 113 | R1146 K1158 H1178 | R1146-D1180 IonicContact CZ-OD2 2.69Å; R1146-D1180 IonicContact NH1-OD2 3.95Å; R1146-D1180 PolarHBondContact NH1-OD2 3.32Å; R1146-D1180 IonicContact NH2-OD2 2.61Å; R1146-D1180 PolarHBondContact NH2-OD2 2.9Å; K1158-D1180 WeakPolarHBondContact CD-OD1 3.46Å; K1158-D1180 WeakPolarHBondContact CE-OD1 3.49Å; K1158-D1180 IonicContact NZ-OD1 2.66Å; K1158-D1180 PolarHBondContact NZ-OD1 3.28Å; H1178-D1180 PolarHBondContact O-N 3.13Å; H1178-D1180 VanDerWaalsContact O-N 3.17Å |
| 1181 | K | 71.9 | Confident | 81.2 | Confident | 146 Ų | 146 | 42 Ų | 42 | 64% | 0.635 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -143.1 | 162.6 | 175.4 | -67.3 | -173.2 | 172.4 | -172.2 | 0 | 109.7 | H1178 | H1178-K1181 HydrophobicContact CB-CB 3.96Š|
| 1182 | Q | 70.8 | Confident | 80.9 | Confident | 173 Ų | 173 | 43.8 Ų | 43.8 | 81% | 0.808 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -59.4 | 150.9 | 168.7 | -72.7 | 177.1 | -33 | 0 | 0 | 111.1 | ||
| 1183 | P | 80.5 | Confident | 79.8 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 138.1 | 171.4 | -25.3 | 35.4 | 0 | 0 | 0 | 112 | E1176 L1177 V1185 C1225 | E1176-P1183 WeakPolarHBondContact O-CA 3.19Å; L1177-P1183 HydrophobicContact CD2-CB 3.88Å; L1177-P1183 HydrophobicContact CD2-CG 4.14Å; P1183-V1185 HydrophobicContact CB-CG2 4.4Å; P1183-C1225 HydrophobicContact CB-CB 3.73Å; P1183-C1225 HydrophobicContact CG-CB 4.01Å |
| 1184 | I | 83.9 | Confident | 78.5 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 35% | 0.349 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.9 | 167.7 | -55.3 | 176.3 | 0 | 0 | 0 | 107.1 | M1175 E1176 H1178 L1186 | M1175-I1184 CarbonylContact C-O 3.49Å; M1175-I1184 WeakPolarHBondContact CA-O 3.44Å; M1175-I1184 VanDerWaalsContact CB-O 3.32Å; M1175-I1184 WeakPolarHBondContact CB-O 3.45Å; E1176-I1184 HydrophobicContact CB-CB 4.33Å; E1176-I1184 PolarHBondContact N-O 2.92Å; E1176-I1184 PolarHBondContact O-N 3.1Å; H1178-I1184 WeakPolarHBondContact NE2-CD1 3.14Å; I1184-L1186 HydrophobicContact CG2-CD2 3.96Å; I1184-L1186 HydrophobicContact CG2-CG 4.14Å |
| 1185 | V | 89 | Confident | 77.7 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126.1 | -175.1 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | M1175 P1183 W1222 C1225 Y1230 | M1175-V1185 HydrophobicContact CB-CG2 4.2Å; P1183-V1185 HydrophobicContact CB-CG2 4.4Å; V1185-W1222 HydrophobicContact CG1-CD2 4.49Å; V1185-W1222 HydrophobicContact CG1-CE3 4.04Å; V1185-W1222 HydrophobicContact CG1-CH2 3.3Å; V1185-W1222 HydrophobicContact CG1-CZ2 3.81Å; V1185-W1222 HydrophobicContact CG1-CZ3 3.44Å; V1185-W1222 VanDerWaalsContact CG1-CZ3 3.44Å; V1185-C1225 HydrophobicContact CG2-CB 3.91Å; V1185-Y1230 HydrophobicContact CG1-CD1 4.23Å; V1185-Y1230 VanDerWaalsContact O-CE1 3.22Å; V1185-Y1230 WeakPolarHBondContact O-CE1 3.37Å; V1185-Y1230 PolarHBondContact O-OH 2.81Å |
| 1186 | L | 86.6 | Confident | 76.5 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.3 | -167.7 | -53.4 | 175.1 | 0 | 0 | 0 | 111.3 | R1173 Q1174 I1184 D1191 E1194 M1195 | R1173-L1186 WeakPolarHBondContact CA-O 3.41Å; Q1174-L1186 HydrophobicContact CB-CB 4.31Å; Q1174-L1186 HydrophobicContact CG-CD1 4.4Å; Q1174-L1186 PolarHBondContact N-O 3.42Å; Q1174-L1186 PolarHBondContact O-N 3.02Å; I1184-L1186 HydrophobicContact CG2-CD2 3.96Å; I1184-L1186 HydrophobicContact CG2-CG 4.14Å; L1186-D1191 WeakPolarHBondContact CA-OD2 3.35Å; L1186-D1191 HydrophobicContact CB-CB 4Å; L1186-D1191 HydrophobicContact CD2-CB 3.89Å; L1186-D1191 HydrophobicContact CG-CB 4.5Å; L1186-E1194 HydrophobicContact CD1-CB 4.07Å; L1186-E1194 WeakPolarHBondContact CD1-O 3.47Å; L1186-E1194 HydrophobicContact CD2-CB 4.29Å; L1186-M1195 HydrophobicContact CB-CG 3.81Å; L1186-M1195 HydrophobicContact CB-SD 4.19Å; L1186-M1195 HydrophobicContact CD1-CG 4.12Å |
| 1187 | V | 85.9 | Confident | 75.3 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.5 | -175.2 | 175 | 0 | 0 | 0 | 0 | 111.3 | K1190 D1191 M1195 W1222 Y1230 L1231 A1240 | V1187-K1190 PolarHBondContact O-N 3.4Å; V1187-K1190 VanDerWaalsContact O-N 3.14Å; V1187-D1191 PolarHBondContact N-OD2 3.44Å; V1187-D1191 PolarHBondContact O-N 3.03Å; V1187-M1195 VanDerWaalsContact C-SD 3.59Å; V1187-W1222 HydrophobicContact CG2-CH2 3.89Å; V1187-W1222 HydrophobicContact CG2-CZ2 3.94Å; V1187-Y1230 HydrophobicContact CB-CE1 4.4Å; V1187-Y1230 HydrophobicContact CG2-CD1 3.82Å; V1187-Y1230 HydrophobicContact CG2-CE1 3.97Å; V1187-L1231 HydrophobicContact CB-CD1 4.47Å; V1187-L1231 HydrophobicContact CG1-CD1 3.58Å; V1187-L1231 HydrophobicContact CG2-CB 4.46Å; V1187-L1231 HydrophobicContact CG2-CD1 3.97Å; V1187-A1240 HydrophobicContact CG1-CB 3.94Å |
| 1188 | A | 78.5 | Confident | 74.2 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 137.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1172 K1190 D1192 M1195 A1240 R1241 | A1172-A1188 PolarHBondContact O-N 3.26Å; A1188-K1190 VanDerWaalsContact C-N 3.32Å; A1188-D1192 WeakPolarHBondContact CA-OD1 3.4Å; A1188-M1195 HydrophobicContact CB-CE 3.96Å; A1188-M1195 HydrophobicContact CB-SD 4.45Å; A1188-A1240 WeakPolarHBondContact O-CA 3.5Å; A1188-R1241 HydrophobicContact CB-CB 4.48Å; A1188-R1241 PolarHBondContact O-N 3.48Å |
| 1189 | G | 75.9 | Confident | 73.9 | Confident | 30 Ų | 30 | 68.9 Ų | 68.9 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | -38 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1192 Q1239 | G1189-D1192 WeakPolarHBondContact CA-OD2 3.47Å; G1189-D1192 VanDerWaalsContact N-CG 3.26Å; G1189-D1192 PolarHBondContact N-OD1 2.89Å; G1189-D1192 PolarHBondContact N-OD2 2.88Å; G1189-Q1239 CarbonylContact C-O 3.47Å; G1189-Q1239 WeakPolarHBondContact CA-O 3.04Å |
| 1190 | K | 78.2 | Confident | 74 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -49.9 | -179.3 | -170.9 | -166.2 | 173.5 | -143.3 | 0 | 111.1 | V1187 A1188 Y1230 A1234 Q1239 | V1187-K1190 PolarHBondContact O-N 3.4Å; V1187-K1190 VanDerWaalsContact O-N 3.14Å; A1188-K1190 VanDerWaalsContact C-N 3.32Å; K1190-Y1230 HydrophobicContact CD-CE1 4.33Å; K1190-Y1230 PolarHBondContact NZ-OH 2.93Å; K1190-A1234 HydrophobicContact CD-CB 4.01Å; K1190-Q1239 HydrophobicContact CB-CB 3.99Å; K1190-Q1239 HydrophobicContact CG-CB 3.94Å; K1190-Q1239 PolarHBondContact N-O 3.34Å; K1190-Q1239 VanDerWaalsContact N-O 3.15Å |
| 1191 | D | 80.2 | Confident | 73.9 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -113.9 | 25.5 | -168.5 | -44.7 | -53.3 | 0 | 0 | 0 | 111.4 | L1186 V1187 M1193 E1194 M1195 Y1230 | L1186-D1191 WeakPolarHBondContact CA-OD2 3.35Å; L1186-D1191 HydrophobicContact CB-CB 4Å; L1186-D1191 HydrophobicContact CD2-CB 3.89Å; L1186-D1191 HydrophobicContact CG-CB 4.5Å; V1187-D1191 PolarHBondContact N-OD2 3.44Å; V1187-D1191 PolarHBondContact O-N 3.03Å; D1191-M1193 PolarHBondContact O-N 3.09Å; D1191-E1194 PolarHBondContact O-N 2.93Å; D1191-M1195 PolarHBondContact O-N 3.15Å; D1191-Y1230 PolarHBondContact OD1-OH 3.33Å; D1191-Y1230 WeakPolarHBondContact OD2-CE1 3.47Å; D1191-Y1230 PolarHBondContact OD2-OH 3.35Å |
| 1192 | D | 72.1 | Confident | 73.3 | Confident | 51 Ų | 51 | 70.2 Ų | 70.2 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -28.9 | -173.6 | -79.1 | -23.9 | 0 | 0 | 0 | 114 | A1188 G1189 R1241 | A1188-D1192 WeakPolarHBondContact CA-OD1 3.4Å; G1189-D1192 WeakPolarHBondContact CA-OD2 3.47Å; G1189-D1192 VanDerWaalsContact N-CG 3.26Å; G1189-D1192 PolarHBondContact N-OD1 2.89Å; G1189-D1192 PolarHBondContact N-OD2 2.88Å; D1192-R1241 IonicContact OD1-CZ 2.7Å; D1192-R1241 IonicContact OD1-NE 3.21Å; D1192-R1241 PolarHBondContact OD1-NE 3.5Å; D1192-R1241 IonicContact OD1-NH2 3.97Å; D1192-R1241 IonicContact OD2-CZ 3.33Å; D1192-R1241 IonicContact OD2-NE 2.66Å; D1192-R1241 PolarHBondContact OD2-NE 3.41Å; D1192-R1241 IonicContact OD2-NH2 2.69Å; D1192-R1241 PolarHBondContact OD2-NH2 3.1Å |
| 1193 | M | 63.6 | Low | 73.1 | Confident | 183 Ų | 183 | 63.5 Ų | 63.5 | 90% | 0.901 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8 | 178.8 | -70.4 | -155.3 | 69.7 | 0 | 0 | 114.7 | D1191 | D1191-M1193 PolarHBondContact O-N 3.09Š|
| 1194 | E | 62.6 | Low | 72.4 | Confident | 140 Ų | 140 | 61.9 Ų | 61.9 | 65% | 0.654 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -3.4 | 177.9 | -60.9 | -173.4 | -175.1 | 0 | 0 | 112.1 | L1186 D1191 | L1186-E1194 HydrophobicContact CD1-CB 4.07Å; L1186-E1194 WeakPolarHBondContact CD1-O 3.47Å; L1186-E1194 HydrophobicContact CD2-CB 4.29Å; D1191-E1194 PolarHBondContact O-N 2.93Å |
| 1195 | M | 70.3 | Confident | 71.9 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -93.4 | 160.9 | 178.7 | -74.5 | 176.9 | 38.3 | 0 | 0 | 112.7 | I1171 Q1174 L1186 V1187 A1188 D1191 E1197 | I1171-M1195 HydrophobicContact CB-CE 3.9Å; I1171-M1195 HydrophobicContact CG2-CE 3.67Å; I1171-M1195 VanDerWaalsContact O-CE 3.31Å; I1171-M1195 WeakPolarHBondContact O-CE 3.48Å; Q1174-M1195 HydrophobicContact CB-CG 4.36Å; L1186-M1195 HydrophobicContact CB-CG 3.81Å; L1186-M1195 HydrophobicContact CB-SD 4.19Å; L1186-M1195 HydrophobicContact CD1-CG 4.12Å; V1187-M1195 VanDerWaalsContact C-SD 3.59Å; A1188-M1195 HydrophobicContact CB-CE 3.96Å; A1188-M1195 HydrophobicContact CB-SD 4.45Å; D1191-M1195 PolarHBondContact O-N 3.15Å; M1195-E1197 PolarHBondContact O-N 3.36Å |
| 1196 | C | 64.9 | Low | 71.2 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | trans | -72.7 | 117.6 | 175.8 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | W1162 I1171 Q1174 L1198 | W1162-C1196 HydrophobicContact CZ2-CB 4.39Å; I1171-C1196 HydrophobicContact CD1-CB 3.79Å; Q1174-C1196 VanDerWaalsContact OE1-N 3.13Å; C1196-L1198 VanDerWaalsContact C-N 3.26Å; C1196-L1198 PolarHBondContact O-N 3.48Å | ||
| 1197 | E | 61.7 | Low | 70.4 | Confident | 164 Ų | 164 | 71.7 Ų | 71.7 | 77% | 0.766 | 36% | 0.361 | S | S | * | . | trans | -74.4 | -4.6 | -179.2 | -60.5 | -172 | 141.8 | 0 | 0 | 114.9 | W1170 M1195 | W1170-E1197 WeakPolarHBondContact CZ3-O 3.16Å; M1195-E1197 PolarHBondContact O-N 3.36Å | ||
| 1198 | L | 60.6 | Low | 69.5 | Low | 84 Ų | 84 | 77 Ų | 77 | 44% | 0.44 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -83.4 | 141.2 | -177 | -65.5 | 176.3 | 0 | 0 | 0 | 112.1 | C1196 E1202 T1203 | C1196-L1198 VanDerWaalsContact C-N 3.26Å; C1196-L1198 PolarHBondContact O-N 3.48Å; L1198-E1202 HydrophobicContact CB-CB 4.32Å; L1198-E1202 HydrophobicContact CD2-CB 4.36Å; L1198-T1203 HydrophobicContact CB-CG2 3.57Å; L1198-T1203 HydrophobicContact CD1-CG2 4.41Å |
| 1199 | S | 73.1 | Confident | 68.7 | Low | 17 Ų | 17 | 88.9 Ų | 88.9 | 12% | 0.119 | 43% | 0.427 | C | S | . | . | trans | -70.9 | 162.5 | 175.1 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | P1169 E1201 E1202 T1203 | P1169-S1199 CarbonylContact O-C 3.57Å; P1169-S1199 VanDerWaalsContact O-CA 3.32Å; P1169-S1199 WeakPolarHBondContact O-CA 3.44Å; S1199-E1201 PolarHBondContact O-N 3.44Å; S1199-E1201 VanDerWaalsContact O-N 3.12Å; S1199-E1202 VanDerWaalsContact CB-OE2 3.24Å; S1199-E1202 WeakPolarHBondContact CB-OE2 3.48Å; S1199-E1202 PolarHBondContact N-OE2 3.25Å; S1199-E1202 PolarHBondContact O-N 3.05Å; S1199-E1202 VanDerWaalsContact O-N 3.12Å; S1199-E1202 VanDerWaalsContact OG-CD 3.29Å; S1199-E1202 WeakPolarHBondContact OG-CG 3.49Å; S1199-E1202 PolarHBondContact OG-OE2 2.85Å; S1199-T1203 WeakPolarHBondContact O-CG2 3.26Å; S1199-T1203 PolarHBondContact O-N 3.47Å; S1199-T1203 PolarHBondContact O-OG1 3.43Å | ||
| 1200 | L | 74.5 | Confident | 68.5 | Low | 13 Ų | 13 | 90.9 Ų | 90.9 | 7% | 0.068 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.5 | -178.9 | -176.9 | 55.3 | 0 | 0 | 0 | 113.8 | R1138 F1140 F1166 P1169 T1203 T1206 | R1138-L1200 HydrophobicContact CB-CD2 4.23Å; F1140-L1200 HydrophobicContact CD2-CD1 4.25Å; F1140-L1200 HydrophobicContact CE2-CD1 3.44Å; F1140-L1200 VanDerWaalsContact CE2-CD1 3.44Å; F1140-L1200 HydrophobicContact CE2-CD2 4.3Å; F1140-L1200 HydrophobicContact CZ-CD1 3.69Å; F1166-L1200 HydrophobicContact CB-CD2 4.43Å; F1166-L1200 HydrophobicContact CD1-CB 3.69Å; F1166-L1200 HydrophobicContact CD1-CD1 4.15Å; F1166-L1200 HydrophobicContact CD1-CG 4.33Å; F1166-L1200 HydrophobicContact CD2-CD1 4.01Å; F1166-L1200 HydrophobicContact CE1-CB 3.79Å; F1166-L1200 HydrophobicContact CE1-CD1 4.01Å; F1166-L1200 HydrophobicContact CE1-CG 4.46Å; F1166-L1200 HydrophobicContact CE2-CD1 3.88Å; F1166-L1200 HydrophobicContact CG-CB 4.33Å; F1166-L1200 HydrophobicContact CG-CD1 4.15Å; F1166-L1200 HydrophobicContact CG-CD2 4.4Å; F1166-L1200 HydrophobicContact CZ-CB 4.49Å; F1166-L1200 HydrophobicContact CZ-CD1 3.87Å; P1169-L1200 PolarHBondContact O-N 3.45Å; L1200-T1203 PolarHBondContact O-OG1 2.91Å; L1200-T1206 HydrophobicContact CD1-CG2 4.01Å; L1200-T1206 HydrophobicContact CD2-CG2 4.35Å; L1200-T1206 HydrophobicContact CG-CG2 3.93Å |
| 1201 | E | 67.5 | Low | 68.5 | Low | 170 Ų | 170 | 87.3 Ų | 87.3 | 79% | 0.794 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -41.6 | 176.2 | -58.7 | -158 | 150.9 | 0 | 0 | 112 | S1199 G1204 | S1199-E1201 PolarHBondContact O-N 3.44Å; S1199-E1201 VanDerWaalsContact O-N 3.12Å; E1201-G1204 PolarHBondContact O-N 2.97Å |
| 1202 | E | 58.8 | Low | 68.8 | Low | 127 Ų | 127 | 90.6 Ų | 90.6 | 59% | 0.593 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -36 | 179.3 | -67.5 | 166.1 | 126.6 | 0 | 0 | 112.7 | L1198 S1199 G1204 | L1198-E1202 HydrophobicContact CB-CB 4.32Å; L1198-E1202 HydrophobicContact CD2-CB 4.36Å; S1199-E1202 VanDerWaalsContact CB-OE2 3.24Å; S1199-E1202 WeakPolarHBondContact CB-OE2 3.48Å; S1199-E1202 PolarHBondContact N-OE2 3.25Å; S1199-E1202 PolarHBondContact O-N 3.05Å; S1199-E1202 VanDerWaalsContact O-N 3.12Å; S1199-E1202 VanDerWaalsContact OG-CD 3.29Å; S1199-E1202 WeakPolarHBondContact OG-CG 3.49Å; S1199-E1202 PolarHBondContact OG-OE2 2.85Å; E1202-G1204 PolarHBondContact O-N 3.49Å |
| 1203 | T | 66.4 | Low | 69.6 | Low | 31 Ų | 31 | 89 Ų | 89 | 19% | 0.19 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.8 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | L1198 S1199 L1200 L1205 | L1198-T1203 HydrophobicContact CB-CG2 3.57Å; L1198-T1203 HydrophobicContact CD1-CG2 4.41Å; S1199-T1203 WeakPolarHBondContact O-CG2 3.26Å; S1199-T1203 PolarHBondContact O-N 3.47Å; S1199-T1203 PolarHBondContact O-OG1 3.43Å; L1200-T1203 PolarHBondContact O-OG1 2.91Å; T1203-L1205 PolarHBondContact O-N 3.08Å |
| 1204 | G | 65.4 | Low | 70.7 | Confident | 27 Ų | 27 | 85.8 Ų | 85.8 | 28% | 0.278 | 43% | 0.426 | S | S | . | . | trans | 65.4 | 4.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1201 E1202 T1206 R1207 | E1201-G1204 PolarHBondContact O-N 2.97Å; E1202-G1204 PolarHBondContact O-N 3.49Å; G1204-T1206 PolarHBondContact O-N 3.13Å; G1204-R1207 PolarHBondContact O-N 3.4Å | ||
| 1205 | L | 73.7 | Confident | 71.8 | Confident | 14 Ų | 14 | 82.1 Ų | 82.1 | 7% | 0.073 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -61.3 | -32.2 | -171.6 | -59.5 | -179.7 | 0 | 0 | 0 | 113 | F1140 I1142 W1162 F1166 T1203 R1207 K1208 | F1140-L1205 HydrophobicContact CB-CD1 4.23Å; F1140-L1205 HydrophobicContact CD1-CB 3.81Å; F1140-L1205 HydrophobicContact CD1-CD1 4.47Å; F1140-L1205 HydrophobicContact CD2-CD1 4.45Å; F1140-L1205 HydrophobicContact CE1-CB 3.93Å; F1140-L1205 HydrophobicContact CG-CB 4.28Å; F1140-L1205 HydrophobicContact CG-CD1 4.12Å; F1140-L1205 HydrophobicContact CZ-CB 4.5Å; I1142-L1205 HydrophobicContact CD1-CD1 4.24Å; I1142-L1205 HydrophobicContact CD1-CD2 3.44Å; I1142-L1205 VanDerWaalsContact CD1-CD2 3.44Å; I1142-L1205 HydrophobicContact CD1-CG 4.5Å; I1142-L1205 HydrophobicContact CG1-CD2 4.32Å; W1162-L1205 HydrophobicContact CH2-CD1 4.32Å; W1162-L1205 HydrophobicContact CZ3-CD1 3.98Å; F1166-L1205 HydrophobicContact CE2-CD1 4.21Å; F1166-L1205 HydrophobicContact CZ-CD1 4.3Å; T1203-L1205 PolarHBondContact O-N 3.08Å; L1205-R1207 PolarHBondContact O-N 3.14Å; L1205-K1208 WeakPolarHBondContact O-CB 3.4Å; L1205-K1208 PolarHBondContact O-N 3.19Å |
| 1206 | T | 75.4 | Confident | 72.5 | Confident | 57 Ų | 57 | 89.8 Ų | 89.8 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -57.8 | -18.8 | 175.4 | 60.7 | 0 | 0 | 0 | 0 | 114 | F1140 L1200 G1204 | F1140-T1206 HydrophobicContact CZ-CG2 4.39Å; L1200-T1206 HydrophobicContact CD1-CG2 4.01Å; L1200-T1206 HydrophobicContact CD2-CG2 4.35Å; L1200-T1206 HydrophobicContact CG-CG2 3.93Å; G1204-T1206 PolarHBondContact O-N 3.13Å |
| 1207 | R | 68.6 | Low | 73.4 | Confident | 222 Ų | 222 | 91.6 Ų | 91.6 | 84% | 0.838 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -97.2 | -7.2 | 178.7 | -54.4 | -177.4 | -174.2 | -178.1 | 3.2 | 113.1 | G1204 L1205 | G1204-R1207 PolarHBondContact O-N 3.4Å; L1205-R1207 PolarHBondContact O-N 3.14Å |
| 1208 | K | 67.7 | Low | 74.7 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 50% | 0.496 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -97.5 | 98.8 | -172 | -167 | 174.9 | -175.6 | 175.8 | 0 | 111.1 | L1205 G1210 A1211 | L1205-K1208 WeakPolarHBondContact O-CB 3.4Å; L1205-K1208 PolarHBondContact O-N 3.19Å; K1208-G1210 PolarHBondContact O-N 3.25Å; K1208-A1211 HydrophobicContact CB-CB 3.94Å; K1208-A1211 HydrophobicContact CD-CB 4.13Å; K1208-A1211 HydrophobicContact CG-CB 4.03Å; K1208-A1211 VanDerWaalsContact O-CB 3.29Å; K1208-A1211 WeakPolarHBondContact O-CB 3.25Å; K1208-A1211 PolarHBondContact O-N 3.21Å |
| 1209 | R | 62.4 | Low | 76.1 | Confident | 255 Ų | 255 | 82.2 Ų | 82.2 | 96% | 0.962 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 128 | 178.4 | -76.3 | -173.5 | 174.4 | -176.4 | -0.9 | 111.5 | A1211 | R1209-A1211 VanDerWaalsContact C-N 3.33Š|
| 1210 | G | 70.9 | Confident | 76.7 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 74% | 0.742 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 4.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | K1208 | K1208-G1210 PolarHBondContact O-N 3.25Š|
| 1211 | A | 77.7 | Confident | 77.3 | Confident | 5 Ų | 5 | 87 Ų | 87 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -33.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1140 R1141 K1208 R1209 | F1140-A1211 CarbonylContact C-O 3.57Å; F1140-A1211 VanDerWaalsContact CA-O 3.24Å; F1140-A1211 WeakPolarHBondContact CA-O 2.97Å; F1140-A1211 HydrophobicContact CD1-CB 4.49Å; R1141-A1211 PolarHBondContact N-O 2.97Å; R1141-A1211 WeakPolarHBondContact O-CA 3.39Å; K1208-A1211 HydrophobicContact CB-CB 3.94Å; K1208-A1211 HydrophobicContact CD-CB 4.13Å; K1208-A1211 HydrophobicContact CG-CB 4.03Å; K1208-A1211 VanDerWaalsContact O-CB 3.29Å; K1208-A1211 WeakPolarHBondContact O-CB 3.25Å; K1208-A1211 PolarHBondContact O-N 3.21Å; R1209-A1211 VanDerWaalsContact C-N 3.33Å |
| 1212 | E | 87.6 | Confident | 78.3 | Confident | 88 Ų | 88 | 79 Ų | 79 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -75.5 | 139.4 | 175.6 | -166.4 | 153.6 | -150.3 | 0 | 0 | 110.9 | R1138 Y1139 F1140 | R1138-E1212 IonicContact CZ-OE1 3.17Å; R1138-E1212 VanDerWaalsContact CZ-OE1 3.22Å; R1138-E1212 IonicContact CZ-OE2 2.69Å; R1138-E1212 IonicContact NE-OE1 3.89Å; R1138-E1212 PolarHBondContact NE-OE1 2.95Å; R1138-E1212 IonicContact NH2-OE1 2.71Å; R1138-E1212 PolarHBondContact NH2-OE1 3.27Å; R1138-E1212 IonicContact NH2-OE2 3.88Å; R1138-E1212 PolarHBondContact NH2-OE2 3.45Å; Y1139-E1212 WeakPolarHBondContact O-CA 3.48Å; F1140-E1212 HydrophobicContact CD1-CB 3.88Å; F1140-E1212 HydrophobicContact CD1-CG 4.27Å; F1140-E1212 HydrophobicContact CE1-CB 3.66Å; F1140-E1212 HydrophobicContact CE1-CG 3.83Å; F1140-E1212 HydrophobicContact CZ-CB 4.49Å; F1140-E1212 HydrophobicContact CZ-CG 4.18Å |
| 1213 | I | 88 | Confident | 79.7 | Confident | 18 Ų | 18 | 78.9 Ų | 78.9 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | trans | -131 | 163.2 | -176 | 58.7 | 167.3 | 0 | 0 | 0 | 111.3 | Y1139 R1141 Y1163 Q1217 F1218 | Y1139-I1213 WeakPolarHBondContact O-CG1 3.35Å; Y1139-I1213 PolarHBondContact O-N 3.24Å; R1141-I1213 HydrophobicContact CB-CD1 4.35Å; R1141-I1213 HydrophobicContact CB-CG2 4.36Å; R1141-I1213 HydrophobicContact CG-CG2 3.73Å; Y1163-I1213 HydrophobicContact CD1-CD1 3.82Å; Y1163-I1213 HydrophobicContact CE1-CD1 4.12Å; I1213-Q1217 HydrophobicContact CD1-CB 4.47Å; I1213-F1218 HydrophobicContact CD1-CB 4.05Å; I1213-F1218 HydrophobicContact CD1-CD2 4.5Å | ||
| 1214 | L | 87.1 | Confident | 80.5 | Confident | 115 Ų | 115 | 87.4 Ų | 87.4 | 60% | 0.602 | 41% | 0.411 | S | S | * | . | trans | -73.9 | 147 | 177 | -63.7 | 175.5 | 0 | 0 | 0 | 110.9 | R1216 Q1217 F1218 | L1214-R1216 VanDerWaalsContact C-N 3.28Å; L1214-R1216 PolarHBondContact O-N 2.83Å; L1214-Q1217 HydrophobicContact CB-CG 4.22Å; L1214-Q1217 VanDerWaalsContact N-OE1 3.14Å; L1214-Q1217 WeakPolarHBondContact O-CB 3.37Å; L1214-Q1217 PolarHBondContact O-N 2.92Å; L1214-F1218 PolarHBondContact O-N 3.23Å | ||
| 1215 | P | 85.3 | Confident | 81.3 | Confident | 63 Ų | 63 | 87 Ų | 87 | 41% | 0.409 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -48.8 | -48.4 | 179 | -28.8 | 34 | 0 | 0 | 0 | 112.9 | Y1139 Q1217 F1218 E1219 | Y1139-P1215 HydrophobicContact CD2-CB 4.04Å; Y1139-P1215 HydrophobicContact CD2-CG 3.82Å; Y1139-P1215 HydrophobicContact CE1-CB 4.22Å; Y1139-P1215 HydrophobicContact CE2-CB 3.55Å; Y1139-P1215 HydrophobicContact CE2-CG 3.55Å; P1215-Q1217 VanDerWaalsContact C-N 3.26Å; P1215-Q1217 PolarHBondContact O-N 2.68Å; P1215-F1218 WeakPolarHBondContact O-CA 3.41Å; P1215-F1218 WeakPolarHBondContact O-CB 3.49Å; P1215-F1218 PolarHBondContact O-N 2.66Å; P1215-E1219 PolarHBondContact O-N 3.08Å |
| 1216 | R | 84.8 | Confident | 81.8 | Confident | 182 Ų | 182 | 91.6 Ų | 91.6 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -53.8 | -38.4 | 177.2 | 179.7 | 175.1 | 169.9 | 156 | 7.9 | 113.5 | L1214 F1218 E1219 E1220 | L1214-R1216 VanDerWaalsContact C-N 3.28Å; L1214-R1216 PolarHBondContact O-N 2.83Å; R1216-F1218 VanDerWaalsContact C-N 3.28Å; R1216-F1218 PolarHBondContact O-N 2.69Å; R1216-E1219 PolarHBondContact O-N 3.23Å; R1216-E1220 HydrophobicContact CG-CG 4.25Å; R1216-E1220 IonicContact CZ-OE1 3.59Å; R1216-E1220 VanDerWaalsContact CZ-OE1 3.3Å; R1216-E1220 IonicContact NE-OE1 3.54Å; R1216-E1220 PolarHBondContact NE-OE1 3.04Å; R1216-E1220 IonicContact NH2-OE1 3.05Å; R1216-E1220 PolarHBondContact NH2-OE1 2.85Å; R1216-E1220 WeakPolarHBondContact O-CB 3.13Å; R1216-E1220 VanDerWaalsContact O-CG 3.29Å; R1216-E1220 WeakPolarHBondContact O-CG 3.36Å; R1216-E1220 PolarHBondContact O-N 2.89Å |
| 1217 | Q | 83.6 | Confident | 82.1 | Confident | 85 Ų | 85 | 88.9 Ų | 88.9 | 40% | 0.397 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.5 | -20 | 179.4 | -63.9 | 174.6 | -36.3 | 0 | 0 | 112.9 | I1213 L1214 P1215 I1221 | I1213-Q1217 HydrophobicContact CD1-CB 4.47Å; L1214-Q1217 HydrophobicContact CB-CG 4.22Å; L1214-Q1217 VanDerWaalsContact N-OE1 3.14Å; L1214-Q1217 WeakPolarHBondContact O-CB 3.37Å; L1214-Q1217 PolarHBondContact O-N 2.92Å; P1215-Q1217 VanDerWaalsContact C-N 3.26Å; P1215-Q1217 PolarHBondContact O-N 2.68Å; Q1217-I1221 WeakPolarHBondContact O-CG1 3.28Å |
| 1218 | F | 90.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -81 | -48.3 | 168.5 | -175.9 | -83.6 | 0 | 0 | 0 | 110.2 | Y1139 H1165 R1173 M1175 I1213 L1214 P1215 R1216 E1220 I1221 W1222 | Y1139-F1218 HydrophobicContact CD1-CB 3.4Å; Y1139-F1218 AromaticContact CD1-CD1 3.89Å; Y1139-F1218 HydrophobicContact CD1-CD1 3.89Å; Y1139-F1218 AromaticContact CD1-CD2 3.99Å; Y1139-F1218 HydrophobicContact CD1-CD2 3.99Å; Y1139-F1218 AromaticContact CD1-CG 3.51Å; Y1139-F1218 HydrophobicContact CD1-CG 3.51Å; Y1139-F1218 HydrophobicContact CE1-CB 3.94Å; Y1139-F1218 AromaticContact CE1-CD1 3.93Å; Y1139-F1218 HydrophobicContact CE1-CD1 3.93Å; Y1139-F1218 HydrophobicContact CE1-CG 4.01Å; Y1139-F1218 HydrophobicContact CG-CB 4.31Å; H1165-F1218 HydrophobicContact CB-CD1 4.42Å; H1165-F1218 HydrophobicContact CB-CD2 4.39Å; H1165-F1218 HydrophobicContact CB-CE1 3.89Å; H1165-F1218 HydrophobicContact CB-CE2 3.84Å; H1165-F1218 HydrophobicContact CB-CZ 3.57Å; R1173-F1218 HydrophobicContact CB-CE1 4.39Å; R1173-F1218 HydrophobicContact CB-CZ 4.09Å; M1175-F1218 HydrophobicContact CE-CD1 4.18Å; M1175-F1218 HydrophobicContact CE-CD2 3.8Å; M1175-F1218 HydrophobicContact CE-CE1 4.09Å; M1175-F1218 HydrophobicContact CE-CE2 3.71Å; M1175-F1218 HydrophobicContact CE-CG 4.03Å; M1175-F1218 HydrophobicContact CE-CZ 3.86Å; I1213-F1218 HydrophobicContact CD1-CB 4.05Å; I1213-F1218 HydrophobicContact CD1-CD2 4.5Å; L1214-F1218 PolarHBondContact O-N 3.23Å; P1215-F1218 WeakPolarHBondContact O-CA 3.41Å; P1215-F1218 WeakPolarHBondContact O-CB 3.49Å; P1215-F1218 PolarHBondContact O-N 2.66Å; R1216-F1218 VanDerWaalsContact C-N 3.28Å; R1216-F1218 PolarHBondContact O-N 2.69Å; F1218-E1220 PolarHBondContact O-N 3.14Å; F1218-I1221 PolarHBondContact O-N 3.21Å; F1218-I1221 VanDerWaalsContact O-N 3.13Å; F1218-W1222 HydrophobicContact CD1-CB 4.18Å; F1218-W1222 HydrophobicContact CE1-CB 4.11Å; F1218-W1222 AromaticContact CE1-CD2 3.92Å; F1218-W1222 HydrophobicContact CE1-CD2 3.92Å; F1218-W1222 AromaticContact CE1-CE3 3.61Å; F1218-W1222 HydrophobicContact CE1-CE3 3.61Å; F1218-W1222 HydrophobicContact CE1-CG 4.14Å; F1218-W1222 HydrophobicContact CE1-CZ3 4.36Å; F1218-W1222 HydrophobicContact CZ-CD2 4.47Å; F1218-W1222 AromaticContact CZ-CE3 3.71Å; F1218-W1222 HydrophobicContact CZ-CE3 3.71Å; F1218-W1222 HydrophobicContact CZ-CZ3 4.14Å; F1218-W1222 WeakPolarHBondContact O-CB 3.48Å; F1218-W1222 PolarHBondContact O-N 3.38Å |
| 1219 | E | 88.5 | Confident | 83.4 | Confident | 51 Ų | 51 | 80.5 Ų | 80.5 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | -177.7 | -53.6 | -51.4 | 157.7 | 0 | 0 | 112.6 | Y1139 R1173 P1215 R1216 I1221 W1222 E1223 | Y1139-E1219 WeakPolarHBondContact CE1-OE1 3.4Å; Y1139-E1219 PolarHBondContact OH-OE1 3.27Å; R1173-E1219 IonicContact CZ-OE1 3.63Å; R1173-E1219 IonicContact CZ-OE2 2.76Å; R1173-E1219 IonicContact NH1-OE1 3.56Å; R1173-E1219 PolarHBondContact NH1-OE1 2.94Å; R1173-E1219 IonicContact NH1-OE2 3.4Å; R1173-E1219 PolarHBondContact NH1-OE2 3.13Å; R1173-E1219 IonicContact NH2-OE1 3.82Å; R1173-E1219 PolarHBondContact NH2-OE1 3.31Å; R1173-E1219 IonicContact NH2-OE2 2.73Å; P1215-E1219 PolarHBondContact O-N 3.08Å; R1216-E1219 PolarHBondContact O-N 3.23Å; E1219-I1221 PolarHBondContact O-N 2.94Å; E1219-I1221 VanDerWaalsContact O-N 3.15Å; E1219-W1222 PolarHBondContact O-N 2.99Å; E1219-W1222 VanDerWaalsContact O-N 3.13Å; E1219-E1223 WeakPolarHBondContact O-CB 3.42Å; E1219-E1223 PolarHBondContact O-N 3.49Å |
| 1220 | E | 87.3 | Confident | 84.5 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -25.3 | 175.8 | -75.6 | 172.8 | 170.6 | 0 | 0 | 113.2 | R1216 F1218 R1224 | R1216-E1220 HydrophobicContact CG-CG 4.25Å; R1216-E1220 IonicContact CZ-OE1 3.59Å; R1216-E1220 VanDerWaalsContact CZ-OE1 3.3Å; R1216-E1220 IonicContact NE-OE1 3.54Å; R1216-E1220 PolarHBondContact NE-OE1 3.04Å; R1216-E1220 IonicContact NH2-OE1 3.05Å; R1216-E1220 PolarHBondContact NH2-OE1 2.85Å; R1216-E1220 WeakPolarHBondContact O-CB 3.13Å; R1216-E1220 VanDerWaalsContact O-CG 3.29Å; R1216-E1220 WeakPolarHBondContact O-CG 3.36Å; R1216-E1220 PolarHBondContact O-N 2.89Å; F1218-E1220 PolarHBondContact O-N 3.14Å; E1220-R1224 WeakPolarHBondContact O-CB 2.92Å |
| 1221 | I | 86.3 | Confident | 85 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.205 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -92.2 | -37.3 | 175.6 | -60.9 | -62.6 | 0 | 0 | 0 | 111 | Y1163 M1175 L1177 Q1217 F1218 E1219 R1224 C1225 | Y1163-I1221 HydrophobicContact CE2-CG2 4.28Å; M1175-I1221 HydrophobicContact CE-CB 3.99Å; M1175-I1221 HydrophobicContact CE-CG2 3.76Å; M1175-I1221 HydrophobicContact SD-CG2 3.9Å; L1177-I1221 HydrophobicContact CD1-CG2 3.83Å; Q1217-I1221 WeakPolarHBondContact O-CG1 3.28Å; F1218-I1221 PolarHBondContact O-N 3.21Å; F1218-I1221 VanDerWaalsContact O-N 3.13Å; E1219-I1221 PolarHBondContact O-N 2.94Å; E1219-I1221 VanDerWaalsContact O-N 3.15Å; I1221-R1224 PolarHBondContact O-N 3.22Å; I1221-C1225 PolarHBondContact O-N 2.95Å; I1221-C1225 PolarHBondContact O-SG 2.66Å |
| 1222 | W | 89.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 177.5 | -176.5 | -99.1 | 0 | 0 | 0 | 111.3 | R1173 M1175 V1185 V1187 F1218 E1219 C1225 G1227 L1231 | R1173-W1222 HydrophobicContact CB-CE3 4.41Å; R1173-W1222 HydrophobicContact CB-CH2 3.61Å; R1173-W1222 HydrophobicContact CB-CZ2 4.2Å; R1173-W1222 HydrophobicContact CB-CZ3 3.71Å; R1173-W1222 HydrophobicContact CG-CH2 3.73Å; R1173-W1222 HydrophobicContact CG-CZ2 3.87Å; R1173-W1222 HydrophobicContact CG-CZ3 4.3Å; M1175-W1222 HydrophobicContact CB-CE3 4.4Å; M1175-W1222 HydrophobicContact CB-CZ3 4.27Å; M1175-W1222 HydrophobicContact CE-CB 4.04Å; M1175-W1222 HydrophobicContact CE-CE3 4.13Å; M1175-W1222 HydrophobicContact CG-CE3 4.25Å; M1175-W1222 HydrophobicContact SD-CB 4.37Å; M1175-W1222 HydrophobicContact SD-CE3 3.83Å; V1185-W1222 HydrophobicContact CG1-CD2 4.49Å; V1185-W1222 HydrophobicContact CG1-CE3 4.04Å; V1185-W1222 HydrophobicContact CG1-CH2 3.3Å; V1185-W1222 HydrophobicContact CG1-CZ2 3.81Å; V1185-W1222 HydrophobicContact CG1-CZ3 3.44Å; V1185-W1222 VanDerWaalsContact CG1-CZ3 3.44Å; V1187-W1222 HydrophobicContact CG2-CH2 3.89Å; V1187-W1222 HydrophobicContact CG2-CZ2 3.94Å; F1218-W1222 HydrophobicContact CD1-CB 4.18Å; F1218-W1222 HydrophobicContact CE1-CB 4.11Å; F1218-W1222 AromaticContact CE1-CD2 3.92Å; F1218-W1222 HydrophobicContact CE1-CD2 3.92Å; F1218-W1222 AromaticContact CE1-CE3 3.61Å; F1218-W1222 HydrophobicContact CE1-CE3 3.61Å; F1218-W1222 HydrophobicContact CE1-CG 4.14Å; F1218-W1222 HydrophobicContact CE1-CZ3 4.36Å; F1218-W1222 HydrophobicContact CZ-CD2 4.47Å; F1218-W1222 AromaticContact CZ-CE3 3.71Å; F1218-W1222 HydrophobicContact CZ-CE3 3.71Å; F1218-W1222 HydrophobicContact CZ-CZ3 4.14Å; F1218-W1222 WeakPolarHBondContact O-CB 3.48Å; F1218-W1222 PolarHBondContact O-N 3.38Å; E1219-W1222 PolarHBondContact O-N 2.99Å; E1219-W1222 VanDerWaalsContact O-N 3.13Å; W1222-C1225 PolarHBondContact O-N 2.74Å; W1222-G1227 PolarHBondContact NE1-O 3.36Å; W1222-G1227 VanDerWaalsContact O-CA 3.31Å; W1222-G1227 WeakPolarHBondContact O-CA 3.49Å; W1222-G1227 PolarHBondContact O-N 3.26Å; W1222-L1231 HydrophobicContact CZ2-CB 4.37Å |
| 1223 | E | 86.6 | Confident | 84.8 | Confident | 124 Ų | 124 | 74.2 Ų | 74.2 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 174 | -179.7 | 165.7 | -137.2 | 0 | 0 | 111.8 | E1219 C1225 D1226 I1228 | E1219-E1223 WeakPolarHBondContact O-CB 3.42Å; E1219-E1223 PolarHBondContact O-N 3.49Å; E1223-C1225 PolarHBondContact O-N 3.4Å; E1223-D1226 PolarHBondContact O-N 3.04Å; E1223-I1228 HydrophobicContact CB-CD1 3.77Å; E1223-I1228 HydrophobicContact CB-CG1 4.29Å; E1223-I1228 HydrophobicContact CG-CD1 3.83Å |
| 1224 | R | 84.8 | Confident | 84.3 | Confident | 211 Ų | 211 | 73.4 Ų | 73.4 | 80% | 0.796 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.4 | -13.7 | 178.4 | -167.7 | 173.5 | -174.4 | 177.2 | 5.2 | 114.2 | E1220 I1221 | E1220-R1224 WeakPolarHBondContact O-CB 2.92Å; I1221-R1224 PolarHBondContact O-N 3.22Å |
| 1225 | C | 82.3 | Confident | 83.9 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 23.2 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | L1177 P1183 V1185 I1221 W1222 E1223 G1227 | L1177-C1225 WeakPolarHBondContact CD2-SG 3.43Å; P1183-C1225 HydrophobicContact CB-CB 3.73Å; P1183-C1225 HydrophobicContact CG-CB 4.01Å; V1185-C1225 HydrophobicContact CG2-CB 3.91Å; I1221-C1225 PolarHBondContact O-N 2.95Å; I1221-C1225 PolarHBondContact O-SG 2.66Å; W1222-C1225 PolarHBondContact O-N 2.74Å; E1223-C1225 PolarHBondContact O-N 3.4Å; C1225-G1227 PolarHBondContact O-N 2.85Å |
| 1226 | D | 83.2 | Confident | 83.5 | Confident | 110 Ų | 110 | 71.8 Ų | 71.8 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 13.7 | -174.1 | -72.3 | -49.8 | 0 | 0 | 0 | 114.6 | E1223 I1228 Q1229 Y1230 | E1223-D1226 PolarHBondContact O-N 3.04Å; D1226-I1228 PolarHBondContact O-N 2.74Å; D1226-I1228 VanDerWaalsContact O-N 3.15Å; D1226-Q1229 PolarHBondContact O-N 3.03Å; D1226-Y1230 PolarHBondContact O-N 3.16Å |
| 1227 | G | 81.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -26.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1222 C1225 L1231 | W1222-G1227 PolarHBondContact NE1-O 3.36Å; W1222-G1227 VanDerWaalsContact O-CA 3.31Å; W1222-G1227 WeakPolarHBondContact O-CA 3.49Å; W1222-G1227 PolarHBondContact O-N 3.26Å; C1225-G1227 PolarHBondContact O-N 2.85Å; G1227-L1231 WeakPolarHBondContact O-CB 3.45Å; G1227-L1231 PolarHBondContact O-N 3.46Å |
| 1228 | I | 82.9 | Confident | 82.9 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.8 | -46.6 | 170.9 | -68.2 | -176.6 | 0 | 0 | 0 | 110.8 | E1223 D1226 K1232 L1249 | E1223-I1228 HydrophobicContact CB-CD1 3.77Å; E1223-I1228 HydrophobicContact CB-CG1 4.29Å; E1223-I1228 HydrophobicContact CG-CD1 3.83Å; D1226-I1228 PolarHBondContact O-N 2.74Å; D1226-I1228 VanDerWaalsContact O-N 3.15Å; I1228-K1232 VanDerWaalsContact O-CB 3.22Å; I1228-K1232 WeakPolarHBondContact O-CB 3.43Å; I1228-K1232 PolarHBondContact O-N 2.77Å; I1228-L1249 HydrophobicContact CG2-CD1 4.24Å |
| 1229 | Q | 82.1 | Confident | 81.9 | Confident | 99 Ų | 99 | 77.2 Ų | 77.2 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 175.2 | -68.9 | -156.6 | 32.5 | 0 | 0 | 112 | D1226 K1232 R1233 | D1226-Q1229 PolarHBondContact O-N 3.03Å; Q1229-K1232 PolarHBondContact O-N 2.86Å; Q1229-R1233 WeakPolarHBondContact O-CG 3.35Å; Q1229-R1233 PolarHBondContact O-N 3.22Å |
| 1230 | Y | 84.8 | Confident | 81 | Confident | 65 Ų | 65 | 75.9 Ų | 75.9 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 178.4 | -170.9 | -90.7 | 0 | 0 | 0 | 111.6 | V1185 V1187 K1190 D1191 D1226 A1234 | V1185-Y1230 HydrophobicContact CG1-CD1 4.23Å; V1185-Y1230 VanDerWaalsContact O-CE1 3.22Å; V1185-Y1230 WeakPolarHBondContact O-CE1 3.37Å; V1185-Y1230 PolarHBondContact O-OH 2.81Å; V1187-Y1230 HydrophobicContact CB-CE1 4.4Å; V1187-Y1230 HydrophobicContact CG2-CD1 3.82Å; V1187-Y1230 HydrophobicContact CG2-CE1 3.97Å; K1190-Y1230 HydrophobicContact CD-CE1 4.33Å; K1190-Y1230 PolarHBondContact NZ-OH 2.93Å; D1191-Y1230 PolarHBondContact OD1-OH 3.33Å; D1191-Y1230 WeakPolarHBondContact OD2-CE1 3.47Å; D1191-Y1230 PolarHBondContact OD2-OH 3.35Å; D1226-Y1230 PolarHBondContact O-N 3.16Å; Y1230-A1234 WeakPolarHBondContact O-CB 3.33Å; Y1230-A1234 PolarHBondContact O-N 3.4Å |
| 1231 | L | 80.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 173.4 | -178.3 | 61.2 | 0 | 0 | 0 | 111.7 | V1187 W1222 G1227 A1234 I1235 A1245 T1246 L1249 | V1187-L1231 HydrophobicContact CB-CD1 4.47Å; V1187-L1231 HydrophobicContact CG1-CD1 3.58Å; V1187-L1231 HydrophobicContact CG2-CB 4.46Å; V1187-L1231 HydrophobicContact CG2-CD1 3.97Å; W1222-L1231 HydrophobicContact CZ2-CB 4.37Å; G1227-L1231 WeakPolarHBondContact O-CB 3.45Å; G1227-L1231 PolarHBondContact O-N 3.46Å; L1231-A1234 WeakPolarHBondContact O-CB 3.38Å; L1231-A1234 PolarHBondContact O-N 3.46Å; L1231-I1235 HydrophobicContact CD1-CD1 4.27Å; L1231-I1235 HydrophobicContact CD1-CG1 4.49Å; L1231-I1235 HydrophobicContact CG-CD1 4Å; L1231-I1235 VanDerWaalsContact O-CG1 3.31Å; L1231-I1235 WeakPolarHBondContact O-CG1 3.38Å; L1231-I1235 PolarHBondContact O-N 2.85Å; L1231-A1245 HydrophobicContact CD2-CB 4.36Å; L1231-T1246 HydrophobicContact CD1-CG2 3.9Å; L1231-L1249 HydrophobicContact CB-CD2 4.32Å; L1231-L1249 HydrophobicContact CD2-CB 4.45Å; L1231-L1249 HydrophobicContact CD2-CD2 4.11Å; L1231-L1249 HydrophobicContact CG-CD2 4.02Å |
| 1232 | K | 80.4 | Confident | 79.8 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.2 | -50.9 | 176.5 | -179 | 168.8 | 176.3 | 171.3 | 0 | 111.6 | I1228 Q1229 A1234 I1235 E1236 L1249 L1253 | I1228-K1232 VanDerWaalsContact O-CB 3.22Å; I1228-K1232 WeakPolarHBondContact O-CB 3.43Å; I1228-K1232 PolarHBondContact O-N 2.77Å; Q1229-K1232 PolarHBondContact O-N 2.86Å; K1232-A1234 VanDerWaalsContact C-N 3.3Å; K1232-A1234 PolarHBondContact O-N 3.41Å; K1232-I1235 WeakPolarHBondContact O-CB 3.48Å; K1232-I1235 PolarHBondContact O-N 3.23Å; K1232-I1235 VanDerWaalsContact O-N 3.1Å; K1232-E1236 WeakPolarHBondContact CE-OE1 3.45Å; K1232-E1236 HydrophobicContact CG-CG 4.36Å; K1232-E1236 WeakPolarHBondContact CG-OE1 3.44Å; K1232-E1236 VanDerWaalsContact O-CG 3.3Å; K1232-E1236 WeakPolarHBondContact O-CG 3.49Å; K1232-E1236 PolarHBondContact O-N 2.66Å; K1232-L1249 HydrophobicContact CB-CD2 3.94Å; K1232-L1253 HydrophobicContact CD-CD1 3.82Å; K1232-L1253 HydrophobicContact CD-CD2 4.1Å; K1232-L1253 HydrophobicContact CG-CD1 3.96Å |
| 1233 | R | 80.8 | Confident | 79.2 | Confident | 144 Ų | 144 | 82.2 Ų | 82.2 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62 | -35.5 | 175.4 | -67.9 | 179.5 | -158 | 169 | 11.2 | 112.6 | Q1229 I1235 E1236 N1237 | Q1229-R1233 WeakPolarHBondContact O-CG 3.35Å; Q1229-R1233 PolarHBondContact O-N 3.22Å; R1233-I1235 VanDerWaalsContact C-N 3.34Å; R1233-E1236 WeakPolarHBondContact CA-OE2 3.44Å; R1233-N1237 VanDerWaalsContact O-CB 3.28Å; R1233-N1237 WeakPolarHBondContact O-CB 3.46Å; R1233-N1237 PolarHBondContact O-N 2.75Å; R1233-N1237 PolarHBondContact O-ND2 2.88Å |
| 1234 | A | 78.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.2 | -33.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1190 Y1230 L1231 K1232 Q1239 A1240 | K1190-A1234 HydrophobicContact CD-CB 4.01Å; Y1230-A1234 WeakPolarHBondContact O-CB 3.33Å; Y1230-A1234 PolarHBondContact O-N 3.4Å; L1231-A1234 WeakPolarHBondContact O-CB 3.38Å; L1231-A1234 PolarHBondContact O-N 3.46Å; K1232-A1234 VanDerWaalsContact C-N 3.3Å; K1232-A1234 PolarHBondContact O-N 3.41Å; A1234-Q1239 WeakPolarHBondContact O-CA 3.32Å; A1234-Q1239 PolarHBondContact O-N 3.01Å; A1234-A1240 HydrophobicContact CB-CB 3.99Å; A1234-A1240 PolarHBondContact O-N 3.07Å |
| 1235 | I | 77.5 | Confident | 78.1 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73 | -47.8 | 173 | -66.8 | 162.2 | 0 | 0 | 0 | 110.8 | L1231 K1232 R1233 N1237 K1238 A1240 T1246 L1249 Q1250 | L1231-I1235 HydrophobicContact CD1-CD1 4.27Å; L1231-I1235 HydrophobicContact CD1-CG1 4.49Å; L1231-I1235 HydrophobicContact CG-CD1 4Å; L1231-I1235 VanDerWaalsContact O-CG1 3.31Å; L1231-I1235 WeakPolarHBondContact O-CG1 3.38Å; L1231-I1235 PolarHBondContact O-N 2.85Å; K1232-I1235 WeakPolarHBondContact O-CB 3.48Å; K1232-I1235 PolarHBondContact O-N 3.23Å; K1232-I1235 VanDerWaalsContact O-N 3.1Å; R1233-I1235 VanDerWaalsContact C-N 3.34Å; I1235-N1237 VanDerWaalsContact C-N 3.31Å; I1235-N1237 PolarHBondContact O-N 2.98Å; I1235-K1238 WeakPolarHBondContact O-CA 3.44Å; I1235-K1238 PolarHBondContact O-N 2.94Å; I1235-A1240 HydrophobicContact CG1-CB 4.03Å; I1235-T1246 HydrophobicContact CD1-CG2 3.95Å; I1235-T1246 HydrophobicContact CG1-CG2 3.81Å; I1235-L1249 HydrophobicContact CD1-CB 4.1Å; I1235-L1249 HydrophobicContact CD1-CD2 4Å; I1235-Q1250 HydrophobicContact CG2-CG 4.02Å; I1235-Q1250 VanDerWaalsContact CG2-NE2 3.32Å |
| 1236 | E | 78.4 | Confident | 77.7 | Confident | 115 Ų | 115 | 71.8 Ų | 71.8 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | 179.5 | -71.8 | 164.9 | 160.9 | 0 | 0 | 111.5 | K1232 R1233 K1238 | K1232-E1236 WeakPolarHBondContact CE-OE1 3.45Å; K1232-E1236 HydrophobicContact CG-CG 4.36Å; K1232-E1236 WeakPolarHBondContact CG-OE1 3.44Å; K1232-E1236 VanDerWaalsContact O-CG 3.3Å; K1232-E1236 WeakPolarHBondContact O-CG 3.49Å; K1232-E1236 PolarHBondContact O-N 2.66Å; R1233-E1236 WeakPolarHBondContact CA-OE2 3.44Å; E1236-K1238 PolarHBondContact O-N 3.46Å |
| 1237 | N | 75.3 | Confident | 77.5 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 3.2 | 175.6 | -65.9 | -20.8 | 0 | 0 | 0 | 114.2 | R1233 I1235 Q1239 | R1233-N1237 VanDerWaalsContact O-CB 3.28Å; R1233-N1237 WeakPolarHBondContact O-CB 3.46Å; R1233-N1237 PolarHBondContact O-N 2.75Å; R1233-N1237 PolarHBondContact O-ND2 2.88Å; I1235-N1237 VanDerWaalsContact C-N 3.31Å; I1235-N1237 PolarHBondContact O-N 2.98Å; N1237-Q1239 HydrophobicContact CB-CG 4.01Å; N1237-Q1239 PolarHBondContact O-N 3.35Å |
| 1238 | K | 78.6 | Confident | 77.1 | Confident | 192 Ų | 192 | 73.3 Ų | 73.3 | 84% | 0.835 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.3 | -174.6 | -54.8 | -177.9 | -178.7 | 179.4 | 0 | 114.4 | I1235 E1236 | I1235-K1238 WeakPolarHBondContact O-CA 3.44Å; I1235-K1238 PolarHBondContact O-N 2.94Å; E1236-K1238 PolarHBondContact O-N 3.46Å |
| 1239 | Q | 70 | Confident | 76.6 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | trans | -96.4 | -26.3 | -179.3 | -70.1 | 171.4 | -12.9 | 0 | 0 | 113.2 | G1189 K1190 A1234 N1237 | G1189-Q1239 CarbonylContact C-O 3.47Å; G1189-Q1239 WeakPolarHBondContact CA-O 3.04Å; K1190-Q1239 HydrophobicContact CB-CB 3.99Å; K1190-Q1239 HydrophobicContact CG-CB 3.94Å; K1190-Q1239 PolarHBondContact N-O 3.34Å; K1190-Q1239 VanDerWaalsContact N-O 3.15Å; A1234-Q1239 WeakPolarHBondContact O-CA 3.32Å; A1234-Q1239 PolarHBondContact O-N 3.01Å; N1237-Q1239 HydrophobicContact CB-CG 4.01Å; N1237-Q1239 PolarHBondContact O-N 3.35Å | ||
| 1240 | A | 70.4 | Confident | 76 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -77.5 | 137.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1187 A1188 A1234 I1235 T1246 | V1187-A1240 HydrophobicContact CG1-CB 3.94Å; A1188-A1240 WeakPolarHBondContact O-CA 3.5Å; A1234-A1240 HydrophobicContact CB-CB 3.99Å; A1234-A1240 PolarHBondContact O-N 3.07Å; I1235-A1240 HydrophobicContact CG1-CB 4.03Å; A1240-T1246 HydrophobicContact CB-CG2 3.69Å |
| 1241 | R | 75.4 | Confident | 75.3 | Confident | 137 Ų | 137 | 72 Ų | 72 | 52% | 0.517 | 36% | 0.356 | S | S | . | . | trans | -68.3 | 146.8 | 172.6 | -82.6 | 167.5 | -168.3 | -135.2 | 8.4 | 111.3 | A1188 D1192 T1243 T1246 | A1188-R1241 HydrophobicContact CB-CB 4.48Å; A1188-R1241 PolarHBondContact O-N 3.48Å; D1192-R1241 IonicContact OD1-CZ 2.7Å; D1192-R1241 IonicContact OD1-NE 3.21Å; D1192-R1241 PolarHBondContact OD1-NE 3.5Å; D1192-R1241 IonicContact OD1-NH2 3.97Å; D1192-R1241 IonicContact OD2-CZ 3.33Å; D1192-R1241 IonicContact OD2-NE 2.66Å; D1192-R1241 PolarHBondContact OD2-NE 3.41Å; D1192-R1241 IonicContact OD2-NH2 2.69Å; D1192-R1241 PolarHBondContact OD2-NH2 3.1Å; R1241-T1243 HydrophobicContact CB-CG2 4.32Å; R1241-T1243 PolarHBondContact O-N 2.92Å; R1241-T1243 PolarHBondContact O-OG1 3.22Å; R1241-T1246 WeakPolarHBondContact O-CG2 3.36Å; R1241-T1246 PolarHBondContact O-OG1 2.99Å | ||
| 1242 | P | 72.1 | Confident | 74.3 | Confident | 113 Ų | 113 | 77.5 Ų | 77.5 | 73% | 0.734 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -66.3 | 94.8 | 174.7 | 27.8 | -34.4 | 0 | 0 | 0 | 111.6 | R1135 | R1135-P1242 PolarHBondContact NH1-O 3.05Š|
| 1243 | T | 77.7 | Confident | 73.1 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 10% | 0.104 | 39% | 0.391 | C | S | . | . | trans | -121.9 | 161.4 | 180 | 56 | 0 | 0 | 0 | 0 | 110.5 | D1167 A1172 R1241 A1245 T1246 A1247 | D1167-T1243 WeakPolarHBondContact OD2-CA 3.4Å; D1167-T1243 VanDerWaalsContact OD2-CB 3.3Å; D1167-T1243 WeakPolarHBondContact OD2-CB 3.49Å; A1172-T1243 HydrophobicContact CB-CG2 3.75Å; R1241-T1243 HydrophobicContact CB-CG2 4.32Å; R1241-T1243 PolarHBondContact O-N 2.92Å; R1241-T1243 PolarHBondContact O-OG1 3.22Å; T1243-A1245 PolarHBondContact O-N 2.92Å; T1243-T1246 PolarHBondContact N-OG1 3.4Å; T1243-T1246 PolarHBondContact O-N 3.18Å; T1243-T1246 PolarHBondContact O-OG1 3.08Å; T1243-T1246 PolarHBondContact OG1-OG1 3.12Å; T1243-A1247 PolarHBondContact O-N 2.8Å | ||
| 1244 | Y | 77.1 | Confident | 71.5 | Confident | 122 Ų | 122 | 82.8 Ų | 82.8 | 48% | 0.478 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -50 | -42.8 | 176.4 | -179.3 | -92.3 | 0 | 0 | 0 | 112.6 | Q1137 D1167 T1246 A1247 M1248 | Q1137-Y1244 VanDerWaalsContact CD-CB 3.43Å; Q1137-Y1244 HydrophobicContact CG-CD1 3.7Å; Q1137-Y1244 HydrophobicContact CG-CD2 4.28Å; Q1137-Y1244 HydrophobicContact CG-CE1 4.13Å; Q1137-Y1244 HydrophobicContact CG-CG 3.79Å; Q1137-Y1244 VanDerWaalsContact OE1-CB 3.27Å; D1167-Y1244 PolarHBondContact OD2-N 3.01Å; Y1244-T1246 PolarHBondContact O-N 3.32Å; Y1244-A1247 PolarHBondContact O-N 3.03Å; Y1244-M1248 HydrophobicContact CE1-SD 4.08Å; Y1244-M1248 WeakPolarHBondContact O-CB 3.43Å; Y1244-M1248 PolarHBondContact O-N 2.95Å |
| 1245 | A | 69.6 | Low | 71.1 | Confident | 6 Ų | 6 | 86.9 Ų | 86.9 | 5% | 0.05 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1173 L1231 T1243 L1249 | R1173-A1245 HydrophobicContact CG-CB 4.46Å; R1173-A1245 VanDerWaalsContact NE-CB 3.35Å; L1231-A1245 HydrophobicContact CD2-CB 4.36Å; T1243-A1245 PolarHBondContact O-N 2.92Å; A1245-L1249 WeakPolarHBondContact O-CB 3.36Å; A1245-L1249 PolarHBondContact O-N 3.42Å |
| 1246 | T | 75.5 | Confident | 70.8 | Confident | 6 Ų | 6 | 89.9 Ų | 89.9 | 4% | 0.037 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 174.6 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | L1231 I1235 A1240 R1241 T1243 Y1244 L1249 Q1250 | L1231-T1246 HydrophobicContact CD1-CG2 3.9Å; I1235-T1246 HydrophobicContact CD1-CG2 3.95Å; I1235-T1246 HydrophobicContact CG1-CG2 3.81Å; A1240-T1246 HydrophobicContact CB-CG2 3.69Å; R1241-T1246 WeakPolarHBondContact O-CG2 3.36Å; R1241-T1246 PolarHBondContact O-OG1 2.99Å; T1243-T1246 PolarHBondContact N-OG1 3.4Å; T1243-T1246 PolarHBondContact O-N 3.18Å; T1243-T1246 PolarHBondContact O-OG1 3.08Å; T1243-T1246 PolarHBondContact OG1-OG1 3.12Å; Y1244-T1246 PolarHBondContact O-N 3.32Å; T1246-L1249 PolarHBondContact O-N 2.93Å; T1246-Q1250 WeakPolarHBondContact O-CB 3.44Å; T1246-Q1250 VanDerWaalsContact O-CG 3.26Å; T1246-Q1250 WeakPolarHBondContact O-CG 3.5Å; T1246-Q1250 PolarHBondContact O-N 3.44Å |
| 1247 | A | 77.4 | Confident | 70.3 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1243 Y1244 L1249 Q1250 S1251 | T1243-A1247 PolarHBondContact O-N 2.8Å; Y1244-A1247 PolarHBondContact O-N 3.03Å; A1247-L1249 VanDerWaalsContact C-N 3.35Å; A1247-L1249 PolarHBondContact O-N 2.97Å; A1247-Q1250 PolarHBondContact O-N 3.33Å; A1247-S1251 PolarHBondContact O-N 3.14Å; A1247-S1251 PolarHBondContact O-OG 3.5Å |
| 1248 | M | 74.8 | Confident | 70 | Confident | 88 Ų | 88 | 87.6 Ų | 87.6 | 43% | 0.433 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.2 | -175.7 | 176.6 | 174.8 | 0 | 0 | 111.9 | Y1244 S1251 L1252 | Y1244-M1248 HydrophobicContact CE1-SD 4.08Å; Y1244-M1248 WeakPolarHBondContact O-CB 3.43Å; Y1244-M1248 PolarHBondContact O-N 2.95Å; M1248-S1251 WeakPolarHBondContact CA-OG 3.23Å; M1248-S1251 PolarHBondContact O-N 3.27Å; M1248-S1251 PolarHBondContact O-OG 3.46Å; M1248-L1252 HydrophobicContact CE-CD1 4.32Å; M1248-L1252 HydrophobicContact CG-CD1 4.24Å; M1248-L1252 WeakPolarHBondContact O-CG 3.46Å; M1248-L1252 PolarHBondContact O-N 3.38Å |
| 1249 | L | 72.6 | Confident | 69.5 | Low | 24 Ų | 24 | 81.1 Ų | 81.1 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 176.5 | -148.5 | 80 | 0 | 0 | 0 | 112.2 | I1228 L1231 K1232 I1235 A1245 T1246 A1247 S1251 L1252 L1253 | I1228-L1249 HydrophobicContact CG2-CD1 4.24Å; L1231-L1249 HydrophobicContact CB-CD2 4.32Å; L1231-L1249 HydrophobicContact CD2-CB 4.45Å; L1231-L1249 HydrophobicContact CD2-CD2 4.11Å; L1231-L1249 HydrophobicContact CG-CD2 4.02Å; K1232-L1249 HydrophobicContact CB-CD2 3.94Å; I1235-L1249 HydrophobicContact CD1-CB 4.1Å; I1235-L1249 HydrophobicContact CD1-CD2 4Å; A1245-L1249 WeakPolarHBondContact O-CB 3.36Å; A1245-L1249 PolarHBondContact O-N 3.42Å; T1246-L1249 PolarHBondContact O-N 2.93Å; A1247-L1249 VanDerWaalsContact C-N 3.35Å; A1247-L1249 PolarHBondContact O-N 2.97Å; L1249-S1251 VanDerWaalsContact C-N 3.3Å; L1249-S1251 PolarHBondContact O-N 3.49Å; L1249-L1252 PolarHBondContact O-N 3.29Å; L1249-L1252 VanDerWaalsContact O-N 3.16Å; L1249-L1253 HydrophobicContact CD2-CD1 4.19Å; L1249-L1253 HydrophobicContact CG-CD1 4.13Å; L1249-L1253 WeakPolarHBondContact O-CB 3.31Å; L1249-L1253 VanDerWaalsContact O-CG 3.27Å; L1249-L1253 WeakPolarHBondContact O-CG 3.41Å; L1249-L1253 PolarHBondContact O-N 3.18Å; L1249-L1253 VanDerWaalsContact O-N 3.17Å |
| 1250 | Q | 69.3 | Low | 69.5 | Low | 99 Ų | 99 | 80.8 Ų | 80.8 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66 | -29.5 | 173.6 | -75.8 | 174.3 | -9.2 | 0 | 0 | 113 | I1235 T1246 A1247 L1252 K1254 | I1235-Q1250 HydrophobicContact CG2-CG 4.02Å; I1235-Q1250 VanDerWaalsContact CG2-NE2 3.32Å; T1246-Q1250 WeakPolarHBondContact O-CB 3.44Å; T1246-Q1250 VanDerWaalsContact O-CG 3.26Å; T1246-Q1250 WeakPolarHBondContact O-CG 3.5Å; T1246-Q1250 PolarHBondContact O-N 3.44Å; A1247-Q1250 PolarHBondContact O-N 3.33Å; Q1250-L1252 VanDerWaalsContact C-N 3.35Å; Q1250-K1254 WeakPolarHBondContact O-CG 3.03Å |
| 1251 | S | 68.5 | Low | 69.4 | Low | 76 Ų | 76 | 85 Ų | 85 | 53% | 0.531 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -80.8 | -9.7 | 172 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | A1247 M1248 L1249 | A1247-S1251 PolarHBondContact O-N 3.14Å; A1247-S1251 PolarHBondContact O-OG 3.5Å; M1248-S1251 WeakPolarHBondContact CA-OG 3.23Å; M1248-S1251 PolarHBondContact O-N 3.27Å; M1248-S1251 PolarHBondContact O-OG 3.46Å; L1249-S1251 VanDerWaalsContact C-N 3.3Å; L1249-S1251 PolarHBondContact O-N 3.49Å |
| 1252 | L | 60.6 | Low | 69 | Low | 117 Ų | 117 | 81 Ų | 81 | 61% | 0.613 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -102.5 | -1.4 | 173.6 | -70.7 | 167.2 | 0 | 0 | 0 | 112.7 | M1248 L1249 Q1250 | M1248-L1252 HydrophobicContact CE-CD1 4.32Å; M1248-L1252 HydrophobicContact CG-CD1 4.24Å; M1248-L1252 WeakPolarHBondContact O-CG 3.46Å; M1248-L1252 PolarHBondContact O-N 3.38Å; L1249-L1252 PolarHBondContact O-N 3.29Å; L1249-L1252 VanDerWaalsContact O-N 3.16Å; Q1250-L1252 VanDerWaalsContact C-N 3.35Å |
| 1253 | L | 55.5 | Low | 68.7 | Low | 89 Ų | 89 | 78.3 Ų | 78.3 | 47% | 0.466 | 40% | 0.4 | S | S | . | . | trans | -118.1 | 7.4 | 178.6 | -68.8 | 172.1 | 0 | 0 | 0 | 112.3 | K1232 L1249 | K1232-L1253 HydrophobicContact CD-CD1 3.82Å; K1232-L1253 HydrophobicContact CD-CD2 4.1Å; K1232-L1253 HydrophobicContact CG-CD1 3.96Å; L1249-L1253 HydrophobicContact CD2-CD1 4.19Å; L1249-L1253 HydrophobicContact CG-CD1 4.13Å; L1249-L1253 WeakPolarHBondContact O-CB 3.31Å; L1249-L1253 VanDerWaalsContact O-CG 3.27Å; L1249-L1253 WeakPolarHBondContact O-CG 3.41Å; L1249-L1253 PolarHBondContact O-N 3.18Å; L1249-L1253 VanDerWaalsContact O-N 3.17Å | ||
| 1254 | K | 45.9 | Very low | 67.9 | Low | 242 Ų | 242 | 83.9 Ų | 83.9 | 100% | 1.052 | 43% | 0.427 | S | S | * | . | trans | -110.3 | 0 | 167.6 | -78.4 | -179.2 | 173.7 | -175.7 | 0 | 108.7 | Q1250 | Q1250-K1254 WeakPolarHBondContact O-CG 3.03Š|
Retrieved 1,254 of 1,254 residues in 1795.9 ms
(Link to these results)