| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.3 | Very low | 62 | Low | 227 Ų | 227 | 72.8 Ų | 72.8 | 100% | 1.118 | 40% | 0.402 | S | S | * | . | 0 | 141.4 | 0 | -67 | 164.2 | 173.8 | 0 | 0 | 107.1 | V3 | M1-V3 PolarHBondContact O-N 2.75Š| |||
| 2 | N | 33.6 | Very low | 64.3 | Low | 161 Ų | 161 | 67.4 Ų | 67.4 | 86% | 0.861 | 37% | 0.372 | S | S | * | . | trans | -69 | 124.6 | 163.7 | -70.1 | 6 | 0 | 0 | 0 | 106.4 | I4 | N2-I4 PolarHBondContact O-N 3.08Å; N2-I4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | V | 43 | Very low | 66.2 | Low | 140 Ų | 140 | 71.7 Ų | 71.7 | 85% | 0.848 | 39% | 0.388 | S | S | * | . | trans | -68.6 | 110.6 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | M1 S5 | M1-V3 PolarHBondContact O-N 2.75Å; V3-S5 PolarHBondContact O-N 3.31Å; V3-S5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | I | 53.4 | Low | 67.8 | Low | 48 Ų | 48 | 71.5 Ų | 71.5 | 25% | 0.246 | 39% | 0.392 | C | S | . | . | trans | -65.5 | 111.9 | 166.4 | -65.8 | 178.7 | 0 | 0 | 0 | 105.6 | N2 M6 I24 S35 | N2-I4 PolarHBondContact O-N 3.08Å; N2-I4 VanDerWaalsContact O-N 3.07Å; I4-M6 HydrophobicContact CG2-CE 4.2Å; I4-M6 HydrophobicContact CG2-CG 4.21Å; I4-M6 PolarHBondContact O-N 3Å; I4-I24 HydrophobicContact CD1-CD1 4.37Å; I4-I24 HydrophobicContact CD1-CG1 4.45Å; I4-S35 WeakPolarHBondContact CG2-OG 3.32Å | ||
| 5 | S | 56.2 | Low | 69.2 | Low | 78 Ų | 78 | 73.1 Ų | 73.1 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | trans | -66.4 | 126 | 170.2 | -137.6 | 0 | 0 | 0 | 0 | 108.2 | V3 H7 | V3-S5 PolarHBondContact O-N 3.31Å; V3-S5 VanDerWaalsContact O-N 3.16Å; S5-H7 PolarHBondContact OG-CE1 2.72Å | ||
| 6 | M | 66 | Low | 70.2 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 16% | 0.163 | 39% | 0.385 | C | S | . | . | trans | -122.3 | 124.1 | 167.3 | -61.2 | -179.5 | -175 | 0 | 0 | 105.4 | I4 F8 I24 T26 I33 | I4-M6 HydrophobicContact CG2-CE 4.2Å; I4-M6 HydrophobicContact CG2-CG 4.21Å; I4-M6 PolarHBondContact O-N 3Å; M6-F8 HydrophobicContact CB-CE1 4.37Å; M6-F8 HydrophobicContact CB-CZ 4.24Å; M6-I24 HydrophobicContact CE-CB 3.95Å; M6-I24 HydrophobicContact CE-CG2 3.84Å; M6-T26 WeakPolarHBondContact CE-OG1 3.33Å; M6-T26 HydrophobicContact SD-CG2 4.1Å; M6-T26 PolarHBondContact SD-OG1 3.02Å; M6-I33 HydrophobicContact CG-CG2 4.49Å; M6-I33 HydrophobicContact SD-CG2 4.25Å | ||
| 7 | H | 70.2 | Confident | 71.2 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | trans | -99 | 134.2 | 178.2 | -51.2 | -73.5 | 0 | 0 | 0 | 109.1 | S5 R31 T1024 K1025 E1028 | S5-H7 PolarHBondContact OG-CE1 2.72Å; H7-R31 PolarHBondContact O-NH2 3.16Å; H7-T1024 WeakPolarHBondContact CE1-CG2 3.41Å; H7-T1024 VanDerWaalsContact NE2-CG2 3.35Å; H7-T1024 WeakPolarHBondContact NE2-CG2 3.24Å; H7-K1025 HydrophobicContact CB-CB 4.5Å; H7-K1025 HydrophobicContact CB-CG 4.08Å; H7-E1028 HydrophobicContact CB-CG 4.06Å; H7-E1028 IonicContact CD2-OE1 3.69Å; H7-E1028 PolarHBondContact CD2-OE1 3.22Å; H7-E1028 IonicContact CG-OE1 2.72Å; H7-E1028 PolarHBondContact N-OE1 2.77Å; H7-E1028 VanDerWaalsContact O-OE2 3.09Å | ||
| 8 | F | 81.5 | Confident | 72 | Confident | 42 Ų | 42 | 70.3 Ų | 70.3 | 18% | 0.184 | 38% | 0.382 | C | S | . | . | trans | -110.7 | 126 | -179.4 | -56.2 | -60.8 | 0 | 0 | 0 | 111 | M6 E12 P14 T26 T28 I33 K1025 | M6-F8 HydrophobicContact CB-CE1 4.37Å; M6-F8 HydrophobicContact CB-CZ 4.24Å; F8-E12 VanDerWaalsContact CA-OE2 3.28Å; F8-E12 WeakPolarHBondContact CA-OE2 3.41Å; F8-E12 HydrophobicContact CB-CB 4.01Å; F8-E12 HydrophobicContact CB-CG 3.95Å; F8-E12 WeakPolarHBondContact CB-O 3.49Å; F8-E12 HydrophobicContact CD1-CG 4.07Å; F8-E12 HydrophobicContact CG-CG 4.44Å; F8-P14 HydrophobicContact CE1-CB 4.32Å; F8-P14 HydrophobicContact CE2-CG 4.02Å; F8-P14 HydrophobicContact CZ-CB 3.95Å; F8-P14 HydrophobicContact CZ-CG 3.94Å; F8-T26 HydrophobicContact CE1-CG2 4.29Å; F8-T26 HydrophobicContact CZ-CG2 4.43Å; F8-T28 HydrophobicContact CD1-CG2 3.76Å; F8-T28 HydrophobicContact CE1-CG2 3.58Å; F8-I33 HydrophobicContact CD1-CD1 4.45Å; F8-I33 HydrophobicContact CE1-CD1 4.13Å; F8-K1025 VanDerWaalsContact O-CB 3.27Å; F8-K1025 WeakPolarHBondContact O-CB 3.49Å; F8-K1025 WeakPolarHBondContact O-CD 3.45Å; F8-K1025 WeakPolarHBondContact O-CE 3.38Å; F8-K1025 WeakPolarHBondContact O-CG 3.4Å; F8-K1025 PolarHBondContact O-NZ 3.45Å | ||
| 9 | L | 80.4 | Confident | 72.6 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | trans | -47.3 | 162.4 | 175.2 | -69.5 | 170.7 | 0 | 0 | 0 | 114.4 | G11 E12 Y30 F102 F106 L452 L1026 L1029 | L9-G11 PolarHBondContact O-N 3.32Å; L9-E12 HydrophobicContact CB-CB 3.76Å; L9-E12 PolarHBondContact N-OE2 3.08Å; L9-E12 WeakPolarHBondContact O-CB 3.36Å; L9-E12 PolarHBondContact O-N 2.83Å; L9-Y30 HydrophobicContact CD1-CD1 3.92Å; L9-Y30 HydrophobicContact CD1-CE1 3.97Å; L9-F102 HydrophobicContact CB-CE1 4.35Å; L9-F102 HydrophobicContact CB-CZ 4.09Å; L9-F102 HydrophobicContact CD1-CE1 3.54Å; L9-F102 HydrophobicContact CD1-CZ 4.03Å; L9-F106 HydrophobicContact CB-CD2 4.34Å; L9-F106 HydrophobicContact CB-CE2 4.47Å; L9-F106 HydrophobicContact CD1-CD2 4.43Å; L9-F106 HydrophobicContact CD1-CE2 4.49Å; L9-F106 HydrophobicContact CD2-CE2 3.97Å; L9-L452 HydrophobicContact CD1-CD1 3.58Å; L9-L452 HydrophobicContact CD1-CD2 4.42Å; L9-L1026 HydrophobicContact CD2-CD2 4.39Å; L9-L1029 HydrophobicContact CD1-CD1 3.5Å; L9-L1029 HydrophobicContact CD2-CD1 3.67Å; L9-L1029 HydrophobicContact CG-CD1 3.73Å | ||
| 10 | P | 82.4 | Confident | 73.3 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 5% | 0.045 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | 122.5 | 157.5 | -27.4 | 36.5 | 0 | 0 | 0 | 110.8 | E12 F106 L110 F1022 | P10-E12 PolarHBondContact O-N 3.12Å; P10-F106 HydrophobicContact CB-CD2 4.27Å; P10-F106 HydrophobicContact CG-CE2 4.35Å; P10-L110 HydrophobicContact CB-CD2 4.22Å; P10-L110 HydrophobicContact CB-CG 4.11Å; P10-L110 HydrophobicContact CG-CD2 3.85Å; P10-L110 HydrophobicContact CG-CG 4.27Å; P10-F1022 HydrophobicContact CB-CE2 4.47Å; P10-F1022 HydrophobicContact CG-CD2 4.36Å; P10-F1022 HydrophobicContact CG-CE2 3.59Å; P10-F1022 HydrophobicContact CG-CZ 3.86Å |
| 11 | G | 86.4 | Confident | 73.8 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -4.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L9 N29 F102 S109 | L9-G11 PolarHBondContact O-N 3.32Å; G11-N29 PolarHBondContact O-ND2 3.29Å; G11-F102 WeakPolarHBondContact O-CE2 3.46Å; G11-S109 VanDerWaalsContact N-CB 3.29Å; G11-S109 PolarHBondContact N-OG 3.43Å |
| 12 | E | 89.2 | Confident | 76.4 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | trans | -83.5 | 129.7 | 175 | -179.5 | 177.4 | -155.9 | 0 | 0 | 111.6 | F8 L9 P10 T28 N29 R31 F102 | F8-E12 VanDerWaalsContact CA-OE2 3.28Å; F8-E12 WeakPolarHBondContact CA-OE2 3.41Å; F8-E12 HydrophobicContact CB-CB 4.01Å; F8-E12 HydrophobicContact CB-CG 3.95Å; F8-E12 WeakPolarHBondContact CB-O 3.49Å; F8-E12 HydrophobicContact CD1-CG 4.07Å; F8-E12 HydrophobicContact CG-CG 4.44Å; L9-E12 HydrophobicContact CB-CB 3.76Å; L9-E12 PolarHBondContact N-OE2 3.08Å; L9-E12 WeakPolarHBondContact O-CB 3.36Å; L9-E12 PolarHBondContact O-N 2.83Å; P10-E12 PolarHBondContact O-N 3.12Å; E12-T28 HydrophobicContact CG-CG2 4.02Å; E12-T28 WeakPolarHBondContact OE1-CB 3.43Å; E12-T28 WeakPolarHBondContact OE1-CG2 3.37Å; E12-T28 PolarHBondContact OE1-OG1 3.49Å; E12-N29 VanDerWaalsContact CA-OD1 3.29Å; E12-N29 WeakPolarHBondContact CA-OD1 3.45Å; E12-R31 WeakPolarHBondContact OE1-CG 3.46Å; E12-R31 IonicContact OE1-CZ 2.78Å; E12-R31 IonicContact OE1-NE 3.26Å; E12-R31 PolarHBondContact OE1-NE 3.08Å; E12-R31 IonicContact OE1-NH2 2.72Å; E12-R31 IonicContact OE2-CZ 2.77Å; E12-R31 IonicContact OE2-NE 3.68Å; E12-R31 PolarHBondContact OE2-NE 3.49Å; E12-R31 IonicContact OE2-NH2 3.16Å; E12-R31 PolarHBondContact OE2-NH2 2.89Å; E12-F102 HydrophobicContact CB-CE2 3.96Å; E12-F102 HydrophobicContact CB-CZ 3.78Å | ||
| 13 | E | 89.4 | Confident | 78.9 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 58% | 0.575 | 31% | 0.313 | S | S | * | . | trans | -136.1 | 135.3 | -174.3 | -63.7 | 172.7 | 153.9 | 0 | 0 | 110.3 | I15 T28 N29 | E13-I15 PolarHBondContact O-N 3.13Å; E13-T28 CarbonylContact O-C 3.59Å; E13-T28 WeakPolarHBondContact O-CA 3.35Å; E13-T28 VanDerWaalsContact O-CB 3.3Å; E13-T28 WeakPolarHBondContact O-CB 3.3Å; E13-N29 PolarHBondContact N-ND2 3.2Å; E13-N29 PolarHBondContact N-OD1 3.37Å; E13-N29 VanDerWaalsContact N-OD1 3.16Å; E13-N29 PolarHBondContact O-N 2.95Å | ||
| 14 | P | 88.7 | Confident | 81.1 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 119.5 | 174.4 | 29.3 | -33.3 | 0 | 0 | 0 | 111 | F8 T26 L27 | F8-P14 HydrophobicContact CE1-CB 4.32Å; F8-P14 HydrophobicContact CE2-CG 4.02Å; F8-P14 HydrophobicContact CZ-CB 3.95Å; F8-P14 HydrophobicContact CZ-CG 3.94Å; P14-T26 HydrophobicContact CB-CG2 4.1Å; P14-L27 CarbonylContact C-O 3.56Å |
| 15 | I | 87.7 | Confident | 82.9 | Confident | 95 Ų | 95 | 47 Ų | 47 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -40.5 | 175.7 | -62.2 | 174.4 | 0 | 0 | 0 | 110.7 | E13 L27 N29 | E13-I15 PolarHBondContact O-N 3.13Å; I15-L27 HydrophobicContact CB-CD2 4.49Å; I15-L27 HydrophobicContact CB-CG 4.27Å; I15-L27 HydrophobicContact CG2-CD2 4.46Å; I15-L27 PolarHBondContact N-O 2.83Å; I15-N29 HydrophobicContact CD1-CB 3.9Å; I15-N29 HydrophobicContact CG1-CB 4.32Å |
| 16 | N | 85.8 | Confident | 84.5 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 159.7 | -179.8 | -145.4 | -62.4 | 0 | 0 | 0 | 111.9 | K18 L27 H87 | N16-K18 VanDerWaalsContact OD1-CE 3.27Å; N16-K18 WeakPolarHBondContact OD1-CE 3.49Å; N16-L27 HydrophobicContact CB-CB 4.33Å; N16-L27 HydrophobicContact CB-CD2 4.35Å; N16-L27 PolarHBondContact N-O 3.27Å; N16-L27 VanDerWaalsContact N-O 3.13Å; N16-L27 PolarHBondContact O-N 3.37Å; N16-H87 PolarHBondContact ND2-CE1 3.02Å; N16-H87 PolarHBondContact ND2-NE2 3.38Å |
| 17 | T | 87.9 | Confident | 85.7 | Confident | 74 Ų | 74 | 42 Ų | 42 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 131.9 | 176.7 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | I24 F25 T26 | T17-I24 HydrophobicContact CG2-CG2 3.37Å; T17-F25 CarbonylContact C-O 3.55Å; T17-F25 VanDerWaalsContact CA-O 3.28Å; T17-F25 WeakPolarHBondContact CA-O 3.22Å; T17-T26 PolarHBondContact OG1-OG1 3.33Å |
| 18 | K | 85.2 | Confident | 86.6 | Confident | 60 Ų | 60 | 40 Ų | 40 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.1 | -179.3 | -57.4 | -65 | -178.8 | -172.6 | 0 | 111 | N16 F25 F75 | N16-K18 VanDerWaalsContact OD1-CE 3.27Å; N16-K18 WeakPolarHBondContact OD1-CE 3.49Å; K18-F25 HydrophobicContact CB-CD1 4.13Å; K18-F25 HydrophobicContact CG-CD1 4.2Å; K18-F25 PolarHBondContact N-O 2.99Å; K18-F25 PolarHBondContact O-N 2.96Å; K18-F75 HydrophobicContact CB-CE1 4.34Å |
| 19 | S | 83.1 | Confident | 86.9 | Confident | 77 Ų | 77 | 39.5 Ų | 39.5 | 54% | 0.538 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 135.7 | 169.4 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 20 | I | 86.7 | Confident | 87.3 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 160.7 | 165.1 | 56.2 | 169.6 | 0 | 0 | 0 | 108.7 | D22 G23 F25 F34 W73 S74 F75 | I20-D22 PolarHBondContact O-N 3.36Å; I20-G23 WeakPolarHBondContact CG1-O 3.23Å; I20-G23 PolarHBondContact N-O 3.17Å; I20-G23 PolarHBondContact O-N 2.9Å; I20-F25 HydrophobicContact CG2-CB 3.82Å; I20-F34 HydrophobicContact CD1-CD1 4.32Å; I20-W73 HydrophobicContact CD1-CE3 3.76Å; I20-W73 HydrophobicContact CD1-CZ3 3.93Å; I20-S74 WeakPolarHBondContact CB-O 3.36Å; I20-F75 HydrophobicContact CG2-CD1 3.84Å; I20-F75 HydrophobicContact CG2-CD2 4.46Å; I20-F75 HydrophobicContact CG2-CE1 3.79Å; I20-F75 HydrophobicContact CG2-CE2 4.38Å; I20-F75 HydrophobicContact CG2-CG 4.19Å; I20-F75 HydrophobicContact CG2-CZ 4.06Å |
| 21 | A | 83.8 | Confident | 87.7 | Confident | 61 Ų | 61 | 39.2 Ų | 39.2 | 50% | 0.504 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -37.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S74 | A21-S74 PolarHBondContact N-O 3.19Š|
| 22 | D | 83.5 | Confident | 87.9 | Confident | 83 Ų | 83 | 38.3 Ų | 38.3 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 15 | 179.7 | -104 | -33.1 | 0 | 0 | 0 | 115.8 | I20 T36 K37 | I20-D22 PolarHBondContact O-N 3.36Å; D22-T36 WeakPolarHBondContact O-CA 3.33Å; D22-T36 WeakPolarHBondContact O-CB 3.43Å; D22-K37 WeakPolarHBondContact O-CG 3.49Å; D22-K37 PolarHBondContact O-N 3.16Å; D22-K37 IonicContact OD1-NZ 3.48Å; D22-K37 PolarHBondContact OD1-NZ 2.75Å |
| 23 | G | 87.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -145.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | I20 S35 | I20-G23 WeakPolarHBondContact CG1-O 3.23Å; I20-G23 PolarHBondContact N-O 3.17Å; I20-G23 PolarHBondContact O-N 2.9Å; G23-S35 CarbonylContact C-O 3.57Å; G23-S35 VanDerWaalsContact CA-O 3.32Å; G23-S35 WeakPolarHBondContact CA-O 3.31Å |
| 24 | I | 88.7 | Confident | 87.7 | Confident | 54 Ų | 54 | 32.6 Ų | 32.6 | 28% | 0.277 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.4 | -176.8 | -57.2 | 177.8 | 0 | 0 | 0 | 109.1 | I4 M6 T17 S35 | I4-I24 HydrophobicContact CD1-CD1 4.37Å; I4-I24 HydrophobicContact CD1-CG1 4.45Å; M6-I24 HydrophobicContact CE-CB 3.95Å; M6-I24 HydrophobicContact CE-CG2 3.84Å; T17-I24 HydrophobicContact CG2-CG2 3.37Å; I24-S35 PolarHBondContact N-O 3.29Å; I24-S35 PolarHBondContact O-N 3.5Å |
| 25 | F | 90.3 | Very high | 87.4 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.4 | 162.9 | 163.5 | -116.3 | 0 | 0 | 0 | 108.6 | T17 K18 I20 L27 L32 F34 F75 I88 | T17-F25 CarbonylContact C-O 3.55Å; T17-F25 VanDerWaalsContact CA-O 3.28Å; T17-F25 WeakPolarHBondContact CA-O 3.22Å; K18-F25 HydrophobicContact CB-CD1 4.13Å; K18-F25 HydrophobicContact CG-CD1 4.2Å; K18-F25 PolarHBondContact N-O 2.99Å; K18-F25 PolarHBondContact O-N 2.96Å; I20-F25 HydrophobicContact CG2-CB 3.82Å; F25-L27 HydrophobicContact CE1-CB 4.44Å; F25-L27 HydrophobicContact CZ-CB 3.99Å; F25-L32 HydrophobicContact CE2-CB 4.14Å; F25-L32 HydrophobicContact CE2-CD2 3.88Å; F25-L32 HydrophobicContact CE2-CG 4.49Å; F25-L32 HydrophobicContact CZ-CD2 4.01Å; F25-F34 HydrophobicContact CB-CD1 4.04Å; F25-F34 HydrophobicContact CB-CE1 4.05Å; F25-F34 AromaticContact CD2-CD1 3.7Å; F25-F34 HydrophobicContact CD2-CD1 3.7Å; F25-F34 HydrophobicContact CD2-CD2 4.36Å; F25-F34 AromaticContact CD2-CE1 3.26Å; F25-F34 HydrophobicContact CD2-CE1 3.26Å; F25-F34 AromaticContact CD2-CE2 3.98Å; F25-F34 HydrophobicContact CD2-CE2 3.98Å; F25-F34 HydrophobicContact CD2-CG 4.23Å; F25-F34 AromaticContact CD2-CZ 3.41Å; F25-F34 HydrophobicContact CD2-CZ 3.41Å; F25-F34 VanDerWaalsContact CD2-CZ 3.41Å; F25-F34 AromaticContact CE2-CE1 3.91Å; F25-F34 HydrophobicContact CE2-CE1 3.91Å; F25-F34 HydrophobicContact CE2-CE2 4.05Å; F25-F34 AromaticContact CE2-CZ 3.56Å; F25-F34 HydrophobicContact CE2-CZ 3.56Å; F25-F34 HydrophobicContact CG-CD1 4.25Å; F25-F34 AromaticContact CG-CE1 3.85Å; F25-F34 HydrophobicContact CG-CE1 3.85Å; F25-F34 HydrophobicContact CG-CZ 4.37Å; F25-F75 HydrophobicContact CB-CE1 4.35Å; F25-F75 HydrophobicContact CD1-CE1 4.04Å; F25-F75 HydrophobicContact CD1-CZ 4.22Å; F25-F75 HydrophobicContact CG-CE1 4.41Å; F25-F75 HydrophobicContact CG-CZ 4.38Å; F25-I88 HydrophobicContact CE2-CD1 4.41Å; F25-I88 HydrophobicContact CZ-CD1 3.95Å; F25-I88 HydrophobicContact CZ-CG1 4.05Å |
| 26 | T | 90 | Very high | 87.2 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.1 | 174.7 | -66.1 | 0 | 0 | 0 | 0 | 109.2 | M6 F8 P14 T17 T28 I33 | M6-T26 WeakPolarHBondContact CE-OG1 3.33Å; M6-T26 HydrophobicContact SD-CG2 4.1Å; M6-T26 PolarHBondContact SD-OG1 3.02Å; F8-T26 HydrophobicContact CE1-CG2 4.29Å; F8-T26 HydrophobicContact CZ-CG2 4.43Å; P14-T26 HydrophobicContact CB-CG2 4.1Å; T17-T26 PolarHBondContact OG1-OG1 3.33Å; T26-T28 HydrophobicContact CG2-CG2 4.21Å; T26-I33 PolarHBondContact N-O 2.66Å; T26-I33 PolarHBondContact O-N 2.92Å |
| 27 | L | 91 | Very high | 86.5 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.3 | 172.2 | 162.3 | 62 | 0 | 0 | 0 | 108.4 | P14 I15 N16 F25 L32 T47 H87 L91 | P14-L27 CarbonylContact C-O 3.56Å; I15-L27 HydrophobicContact CB-CD2 4.49Å; I15-L27 HydrophobicContact CB-CG 4.27Å; I15-L27 HydrophobicContact CG2-CD2 4.46Å; I15-L27 PolarHBondContact N-O 2.83Å; N16-L27 HydrophobicContact CB-CB 4.33Å; N16-L27 HydrophobicContact CB-CD2 4.35Å; N16-L27 PolarHBondContact N-O 3.27Å; N16-L27 VanDerWaalsContact N-O 3.13Å; N16-L27 PolarHBondContact O-N 3.37Å; F25-L27 HydrophobicContact CE1-CB 4.44Å; F25-L27 HydrophobicContact CZ-CB 3.99Å; L27-L32 HydrophobicContact CB-CD2 4.41Å; L27-L32 HydrophobicContact CD1-CD2 3.54Å; L27-T47 HydrophobicContact CD1-CG2 4.2Å; L27-H87 HydrophobicContact CD2-CB 3.77Å; L27-L91 HydrophobicContact CD1-CD1 3.24Å; L27-L91 HydrophobicContact CD2-CD1 3.58Å; L27-L91 HydrophobicContact CG-CD1 3.98Å |
| 28 | T | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 170 | 171.3 | 75.7 | 0 | 0 | 0 | 0 | 111.2 | F8 E12 E13 T26 Y30 R31 I33 | F8-T28 HydrophobicContact CD1-CG2 3.76Å; F8-T28 HydrophobicContact CE1-CG2 3.58Å; E12-T28 HydrophobicContact CG-CG2 4.02Å; E12-T28 WeakPolarHBondContact OE1-CB 3.43Å; E12-T28 WeakPolarHBondContact OE1-CG2 3.37Å; E12-T28 PolarHBondContact OE1-OG1 3.49Å; E13-T28 CarbonylContact O-C 3.59Å; E13-T28 WeakPolarHBondContact O-CA 3.35Å; E13-T28 VanDerWaalsContact O-CB 3.3Å; E13-T28 WeakPolarHBondContact O-CB 3.3Å; T26-T28 HydrophobicContact CG2-CG2 4.21Å; T28-Y30 PolarHBondContact O-N 2.88Å; T28-Y30 PolarHBondContact OG1-N 3Å; T28-Y30 VanDerWaalsContact OG1-N 3.15Å; T28-R31 PolarHBondContact N-O 3.38Å; T28-R31 PolarHBondContact OG1-N 3.1Å; T28-R31 PolarHBondContact OG1-O 3.23Å; T28-I33 HydrophobicContact CG2-CD1 4.06Å |
| 29 | N | 87.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -64.9 | 0.9 | 169.6 | 67.2 | 3.2 | 0 | 0 | 0 | 114.3 | G11 E12 E13 I15 F102 | G11-N29 PolarHBondContact O-ND2 3.29Å; E12-N29 VanDerWaalsContact CA-OD1 3.29Å; E12-N29 WeakPolarHBondContact CA-OD1 3.45Å; E13-N29 PolarHBondContact N-ND2 3.2Å; E13-N29 PolarHBondContact N-OD1 3.37Å; E13-N29 VanDerWaalsContact N-OD1 3.16Å; E13-N29 PolarHBondContact O-N 2.95Å; I15-N29 HydrophobicContact CD1-CB 3.9Å; I15-N29 HydrophobicContact CG1-CB 4.32Å; N29-F102 WeakPolarHBondContact OD1-CE2 3.18Å |
| 30 | Y | 88.6 | Confident | 83.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -121.2 | -48.3 | 176.5 | 174.3 | -125.2 | 0 | 0 | 0 | 113 | L9 T28 P46 T47 F102 S450 L452 L1029 | L9-Y30 HydrophobicContact CD1-CD1 3.92Å; L9-Y30 HydrophobicContact CD1-CE1 3.97Å; T28-Y30 PolarHBondContact O-N 2.88Å; T28-Y30 PolarHBondContact OG1-N 3Å; T28-Y30 VanDerWaalsContact OG1-N 3.15Å; Y30-P46 HydrophobicContact CE1-CG 4.43Å; Y30-P46 HydrophobicContact CE2-CB 4.2Å; Y30-T47 WeakPolarHBondContact O-CB 3.42Å; Y30-T47 WeakPolarHBondContact O-CG2 3.48Å; Y30-T47 PolarHBondContact O-N 3.39Å; Y30-T47 PolarHBondContact O-OG1 3.48Å; Y30-F102 HydrophobicContact CD2-CB 3.87Å; Y30-F102 AromaticContact CD2-CD1 3.37Å; Y30-F102 HydrophobicContact CD2-CD1 3.37Å; Y30-F102 HydrophobicContact CD2-CD2 4.42Å; Y30-F102 HydrophobicContact CD2-CE1 4.08Å; Y30-F102 AromaticContact CD2-CG 3.59Å; Y30-F102 HydrophobicContact CD2-CG 3.59Å; Y30-F102 AromaticContact CE2-CD1 3.99Å; Y30-F102 HydrophobicContact CE2-CD1 3.99Å; Y30-F102 AromaticContact CG-CD1 3.73Å; Y30-F102 HydrophobicContact CG-CD1 3.73Å; Y30-F102 HydrophobicContact CG-CD2 4.36Å; Y30-F102 HydrophobicContact CG-CE1 4.01Å; Y30-F102 AromaticContact CG-CG 3.93Å; Y30-F102 HydrophobicContact CG-CG 3.93Å; Y30-F102 HydrophobicContact CG-CZ 4.46Å; Y30-S450 WeakPolarHBondContact CE2-O 3.38Å; Y30-L452 HydrophobicContact CE2-CB 4.02Å; Y30-L1029 HydrophobicContact CE1-CD1 3.96Å; Y30-L1029 HydrophobicContact CE1-CD2 4.44Å |
| 31 | R | 90.1 | Very high | 83 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 162.4 | -165.9 | 56.1 | 175.9 | 161.6 | 150.9 | 2.2 | 114.5 | H7 E12 T28 I33 S44 I45 E1028 | H7-R31 PolarHBondContact O-NH2 3.16Å; E12-R31 WeakPolarHBondContact OE1-CG 3.46Å; E12-R31 IonicContact OE1-CZ 2.78Å; E12-R31 IonicContact OE1-NE 3.26Å; E12-R31 PolarHBondContact OE1-NE 3.08Å; E12-R31 IonicContact OE1-NH2 2.72Å; E12-R31 IonicContact OE2-CZ 2.77Å; E12-R31 IonicContact OE2-NE 3.68Å; E12-R31 PolarHBondContact OE2-NE 3.49Å; E12-R31 IonicContact OE2-NH2 3.16Å; E12-R31 PolarHBondContact OE2-NH2 2.89Å; T28-R31 PolarHBondContact N-O 3.38Å; T28-R31 PolarHBondContact OG1-N 3.1Å; T28-R31 PolarHBondContact OG1-O 3.23Å; R31-I33 HydrophobicContact CG-CD1 4.34Å; R31-I33 HydrophobicContact CG-CG1 3.94Å; R31-S44 VanDerWaalsContact CD-OG 3.24Å; R31-S44 WeakPolarHBondContact CD-OG 3.5Å; R31-S44 PolarHBondContact NH1-OG 2.89Å; R31-S44 VanDerWaalsContact NH1-OG 3.16Å; R31-I45 CarbonylContact C-O 3.51Å; R31-I45 WeakPolarHBondContact CA-O 3.29Å; R31-I45 WeakPolarHBondContact CB-O 3.36Å; R31-E1028 IonicContact CZ-OE2 3.44Å; R31-E1028 VanDerWaalsContact CZ-OE2 3.28Å; R31-E1028 IonicContact NH1-OE2 3.48Å; R31-E1028 PolarHBondContact NH1-OE2 3.31Å; R31-E1028 IonicContact NH2-OE2 2.81Å; R31-E1028 PolarHBondContact NH2-OE2 2.75Å |
| 32 | L | 90.8 | Very high | 82.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.5 | 166.1 | -51.7 | 179.6 | 0 | 0 | 0 | 108.4 | F25 L27 F34 I45 T47 V50 I63 I88 | F25-L32 HydrophobicContact CE2-CB 4.14Å; F25-L32 HydrophobicContact CE2-CD2 3.88Å; F25-L32 HydrophobicContact CE2-CG 4.49Å; F25-L32 HydrophobicContact CZ-CD2 4.01Å; L27-L32 HydrophobicContact CB-CD2 4.41Å; L27-L32 HydrophobicContact CD1-CD2 3.54Å; L32-F34 HydrophobicContact CB-CD2 4.39Å; L32-F34 HydrophobicContact CB-CE2 3.79Å; L32-F34 HydrophobicContact CD1-CE2 4.42Å; L32-I45 HydrophobicContact CB-CB 4.41Å; L32-I45 PolarHBondContact N-O 3.41Å; L32-I45 PolarHBondContact O-N 2.99Å; L32-T47 HydrophobicContact CD2-CG2 4.44Å; L32-V50 HydrophobicContact CD1-CG2 3.81Å; L32-I63 HydrophobicContact CD1-CD1 3.67Å; L32-I88 HydrophobicContact CD1-CD1 4.43Å; L32-I88 HydrophobicContact CD1-CG1 4.26Å; L32-I88 HydrophobicContact CD1-CG2 4.49Å; L32-I88 HydrophobicContact CD2-CG1 4.16Å |
| 33 | I | 88 | Confident | 82.6 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115 | 176.1 | -54.9 | 176.3 | 0 | 0 | 0 | 107.6 | M6 F8 T26 T28 R31 | M6-I33 HydrophobicContact CG-CG2 4.49Å; M6-I33 HydrophobicContact SD-CG2 4.25Å; F8-I33 HydrophobicContact CD1-CD1 4.45Å; F8-I33 HydrophobicContact CE1-CD1 4.13Å; T26-I33 PolarHBondContact N-O 2.66Å; T26-I33 PolarHBondContact O-N 2.92Å; T28-I33 HydrophobicContact CG2-CD1 4.06Å; R31-I33 HydrophobicContact CG-CD1 4.34Å; R31-I33 HydrophobicContact CG-CG1 3.94Å |
| 34 | F | 86.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.6 | 170.9 | -64.5 | -93.3 | 0 | 0 | 0 | 107.5 | I20 F25 L32 S42 W43 I63 W73 | I20-F34 HydrophobicContact CD1-CD1 4.32Å; F25-F34 HydrophobicContact CB-CD1 4.04Å; F25-F34 HydrophobicContact CB-CE1 4.05Å; F25-F34 AromaticContact CD2-CD1 3.7Å; F25-F34 HydrophobicContact CD2-CD1 3.7Å; F25-F34 HydrophobicContact CD2-CD2 4.36Å; F25-F34 AromaticContact CD2-CE1 3.26Å; F25-F34 HydrophobicContact CD2-CE1 3.26Å; F25-F34 AromaticContact CD2-CE2 3.98Å; F25-F34 HydrophobicContact CD2-CE2 3.98Å; F25-F34 HydrophobicContact CD2-CG 4.23Å; F25-F34 AromaticContact CD2-CZ 3.41Å; F25-F34 HydrophobicContact CD2-CZ 3.41Å; F25-F34 VanDerWaalsContact CD2-CZ 3.41Å; F25-F34 AromaticContact CE2-CE1 3.91Å; F25-F34 HydrophobicContact CE2-CE1 3.91Å; F25-F34 HydrophobicContact CE2-CE2 4.05Å; F25-F34 AromaticContact CE2-CZ 3.56Å; F25-F34 HydrophobicContact CE2-CZ 3.56Å; F25-F34 HydrophobicContact CG-CD1 4.25Å; F25-F34 AromaticContact CG-CE1 3.85Å; F25-F34 HydrophobicContact CG-CE1 3.85Å; F25-F34 HydrophobicContact CG-CZ 4.37Å; L32-F34 HydrophobicContact CB-CD2 4.39Å; L32-F34 HydrophobicContact CB-CE2 3.79Å; L32-F34 HydrophobicContact CD1-CE2 4.42Å; F34-S42 CarbonylContact O-C 3.51Å; F34-S42 VanDerWaalsContact O-CA 3.23Å; F34-S42 WeakPolarHBondContact O-CA 3.05Å; F34-W43 PolarHBondContact N-O 2.78Å; F34-W43 PolarHBondContact O-N 3.48Å; F34-I63 HydrophobicContact CE2-CD1 3.61Å; F34-I63 HydrophobicContact CZ-CD1 3.55Å; F34-W73 HydrophobicContact CB-CD2 4.03Å; F34-W73 HydrophobicContact CB-CE3 4.13Å; F34-W73 HydrophobicContact CB-CH2 3.41Å; F34-W73 VanDerWaalsContact CB-CH2 3.41Å; F34-W73 HydrophobicContact CB-CZ2 3.28Å; F34-W73 HydrophobicContact CB-CZ3 3.85Å; F34-W73 HydrophobicContact CD1-CB 4.26Å; F34-W73 AromaticContact CD1-CD1 3.72Å; F34-W73 AromaticContact CD1-CD2 3.34Å; F34-W73 HydrophobicContact CD1-CD2 3.34Å; F34-W73 AromaticContact CD1-CE2 3.52Å; F34-W73 AromaticContact CD1-CE3 3.85Å; F34-W73 HydrophobicContact CD1-CE3 3.85Å; F34-W73 AromaticContact CD1-CG 3.5Å; F34-W73 HydrophobicContact CD1-CG 3.5Å; F34-W73 HydrophobicContact CD1-CZ2 4.16Å; F34-W73 HydrophobicContact CD1-CZ3 4.43Å; F34-W73 AromaticContact CD1-NE1 3.69Å; F34-W73 HydrophobicContact CD2-CD2 4.48Å; F34-W73 AromaticContact CD2-CE2 3.8Å; F34-W73 HydrophobicContact CD2-CZ2 4.11Å; F34-W73 AromaticContact CD2-NE1 3.58Å; F34-W73 HydrophobicContact CE1-CB 3.96Å; F34-W73 AromaticContact CE1-CD1 3.44Å; F34-W73 VanDerWaalsContact CE1-CD1 3.44Å; F34-W73 AromaticContact CE1-CD2 3.84Å; F34-W73 HydrophobicContact CE1-CD2 3.84Å; F34-W73 AromaticContact CE1-CG 3.44Å; F34-W73 HydrophobicContact CE1-CG 3.44Å; F34-W73 VanDerWaalsContact CE1-CG 3.44Å; F34-W73 AromaticContact CE1-NE1 3.8Å; F34-W73 AromaticContact CE2-CD1 3.96Å; F34-W73 AromaticContact CE2-NE1 3.7Å; F34-W73 AromaticContact CG-CD2 3.71Å; F34-W73 HydrophobicContact CG-CD2 3.71Å; F34-W73 AromaticContact CG-CE2 3.35Å; F34-W73 HydrophobicContact CG-CE3 4.25Å; F34-W73 HydrophobicContact CG-CG 4.17Å; F34-W73 HydrophobicContact CG-CH2 4.15Å; F34-W73 AromaticContact CG-CZ2 3.61Å; F34-W73 HydrophobicContact CG-CZ2 3.61Å; F34-W73 HydrophobicContact CG-CZ3 4.44Å; F34-W73 AromaticContact CG-NE1 3.57Å; F34-W73 AromaticContact CZ-CD1 3.59Å; F34-W73 HydrophobicContact CZ-CG 4.07Å; F34-W73 AromaticContact CZ-NE1 3.82Å |
| 35 | S | 82.8 | Confident | 82.6 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.119 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.2 | -176.8 | -160.5 | 0 | 0 | 0 | 0 | 111.8 | I4 G23 I24 S42 | I4-S35 WeakPolarHBondContact CG2-OG 3.32Å; G23-S35 CarbonylContact C-O 3.57Å; G23-S35 VanDerWaalsContact CA-O 3.32Å; G23-S35 WeakPolarHBondContact CA-O 3.31Å; I24-S35 PolarHBondContact N-O 3.29Å; I24-S35 PolarHBondContact O-N 3.5Å; S35-S42 WeakPolarHBondContact CA-OG 3.44Å; S35-S42 PolarHBondContact OG-OG 3.41Å |
| 36 | T | 82 | Confident | 82.6 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.086 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 169.4 | -173.6 | 85.7 | 0 | 0 | 0 | 0 | 111.8 | D22 R38 S41 S42 W73 | D22-T36 WeakPolarHBondContact O-CA 3.33Å; D22-T36 WeakPolarHBondContact O-CB 3.43Å; T36-R38 PolarHBondContact O-N 3.39Å; T36-R38 PolarHBondContact OG1-N 3.03Å; T36-R38 PolarHBondContact OG1-O 3.27Å; T36-S41 WeakPolarHBondContact CG2-O 3.46Å; T36-S42 PolarHBondContact N-OG 2.93Å; T36-S42 VanDerWaalsContact N-OG 3.12Å; T36-W73 HydrophobicContact CG2-CH2 4.39Å; T36-W73 HydrophobicContact CG2-CZ3 3.95Å |
| 37 | K | 72.6 | Confident | 82.5 | Confident | 148 Ų | 148 | 36.4 Ų | 36.4 | 64% | 0.643 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -58.3 | -14.9 | 171.2 | -60.9 | 162.3 | -153.7 | 147.4 | 0 | 113.4 | D22 | D22-K37 WeakPolarHBondContact O-CG 3.49Å; D22-K37 PolarHBondContact O-N 3.16Å; D22-K37 IonicContact OD1-NZ 3.48Å; D22-K37 PolarHBondContact OD1-NZ 2.75Å |
| 38 | R | 71.5 | Confident | 82.3 | Confident | 168 Ų | 168 | 36.7 Ų | 36.7 | 63% | 0.634 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -111.1 | 110.9 | 172.6 | -59.8 | -180 | -168.5 | 148.4 | 6.6 | 108.9 | T36 Q40 S41 | T36-R38 PolarHBondContact O-N 3.39Å; T36-R38 PolarHBondContact OG1-N 3.03Å; T36-R38 PolarHBondContact OG1-O 3.27Å; R38-Q40 PolarHBondContact O-N 2.78Å; R38-S41 PolarHBondContact O-N 2.86Å |
| 39 | P | 62.5 | Low | 82.2 | Confident | 93 Ų | 93 | 36.8 Ų | 36.8 | 60% | 0.604 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -58.4 | -19.1 | 177.4 | -27.4 | 36 | 0 | 0 | 0 | 114.7 | S41 S524 | P39-S41 PolarHBondContact O-N 2.95Å; P39-S524 VanDerWaalsContact C-OG 3.28Å; P39-S524 PolarHBondContact O-OG 3.27Å |
| 40 | Q | 63.3 | Low | 82.2 | Confident | 135 Ų | 135 | 35.7 Ų | 35.7 | 63% | 0.631 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -76.5 | -5.4 | 173.5 | -65.9 | -176.7 | -5.2 | 0 | 0 | 114.5 | R38 S524 | R38-Q40 PolarHBondContact O-N 2.78Å; Q40-S524 VanDerWaalsContact CA-OG 3.3Å; Q40-S524 WeakPolarHBondContact CA-OG 3.34Å; Q40-S524 PolarHBondContact N-OG 3.39Å |
| 41 | S | 71.1 | Confident | 81.9 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 33% | 0.329 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -120.2 | 17.3 | 176.1 | -50 | 0 | 0 | 0 | 0 | 112 | T36 R38 P39 W73 | T36-S41 WeakPolarHBondContact CG2-O 3.46Å; R38-S41 PolarHBondContact O-N 2.86Å; P39-S41 PolarHBondContact O-N 2.95Å; S41-W73 WeakPolarHBondContact O-CH2 3.28Å |
| 42 | S | 76.7 | Confident | 81.6 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | trans | -93.5 | 146.8 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | F34 S35 T36 T523 | F34-S42 CarbonylContact O-C 3.51Å; F34-S42 VanDerWaalsContact O-CA 3.23Å; F34-S42 WeakPolarHBondContact O-CA 3.05Å; S35-S42 WeakPolarHBondContact CA-OG 3.44Å; S35-S42 PolarHBondContact OG-OG 3.41Å; T36-S42 PolarHBondContact N-OG 2.93Å; T36-S42 VanDerWaalsContact N-OG 3.12Å; S42-T523 VanDerWaalsContact CB-OG1 3.26Å; S42-T523 WeakPolarHBondContact CB-OG1 3.34Å; S42-T523 PolarHBondContact O-N 3.27Å; S42-T523 PolarHBondContact O-OG1 3.42Å | ||
| 43 | W | 82.9 | Confident | 81.6 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.6 | -173.8 | -68.1 | 75 | 0 | 0 | 0 | 111.4 | F34 I69 V71 W73 L521 | F34-W43 PolarHBondContact N-O 2.78Å; F34-W43 PolarHBondContact O-N 3.48Å; W43-I69 HydrophobicContact CE3-CG2 4.48Å; W43-I69 HydrophobicContact CH2-CG2 4.22Å; W43-I69 HydrophobicContact CZ3-CG2 3.66Å; W43-V71 HydrophobicContact CD2-CG1 4.28Å; W43-V71 HydrophobicContact CD2-CG2 4.13Å; W43-V71 HydrophobicContact CE3-CG2 3.86Å; W43-V71 HydrophobicContact CG-CG1 4.48Å; W43-V71 HydrophobicContact CH2-CG2 4.29Å; W43-V71 HydrophobicContact CZ3-CG2 3.96Å; W43-W73 HydrophobicContact CB-CZ2 3.99Å; W43-W73 AromaticContact CD1-CH2 3.63Å; W43-W73 AromaticContact CD1-CZ2 3.46Å; W43-W73 VanDerWaalsContact CD1-CZ2 3.46Å; W43-W73 HydrophobicContact CG-CH2 4.4Å; W43-W73 AromaticContact CG-CZ2 3.86Å; W43-W73 HydrophobicContact CG-CZ2 3.86Å; W43-L521 HydrophobicContact CE3-CB 3.73Å; W43-L521 HydrophobicContact CZ3-CB 3.93Å |
| 44 | S | 86.2 | Confident | 81.7 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 106.3 | -179.7 | 170.4 | 0 | 0 | 0 | 0 | 109.8 | R31 L521 | R31-S44 VanDerWaalsContact CD-OG 3.24Å; R31-S44 WeakPolarHBondContact CD-OG 3.5Å; R31-S44 PolarHBondContact NH1-OG 2.89Å; R31-S44 VanDerWaalsContact NH1-OG 3.16Å; S44-L521 PolarHBondContact N-O 3.2Å |
| 45 | I | 89.7 | Confident | 82 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 107.8 | -172.3 | -50 | -179.1 | 0 | 0 | 0 | 109.7 | R31 L32 T47 V50 I63 T65 V71 L521 | R31-I45 CarbonylContact C-O 3.51Å; R31-I45 WeakPolarHBondContact CA-O 3.29Å; R31-I45 WeakPolarHBondContact CB-O 3.36Å; L32-I45 HydrophobicContact CB-CB 4.41Å; L32-I45 PolarHBondContact N-O 3.41Å; L32-I45 PolarHBondContact O-N 2.99Å; I45-T47 PolarHBondContact O-N 2.98Å; I45-V50 HydrophobicContact CG2-CG2 4.12Å; I45-I63 HydrophobicContact CD1-CG2 4.25Å; I45-T65 HydrophobicContact CD1-CG2 4.48Å; I45-T65 HydrophobicContact CG2-CG2 3.76Å; I45-V71 HydrophobicContact CD1-CG2 4.18Å; I45-L521 HydrophobicContact CG1-CD1 4.22Å; I45-L521 HydrophobicContact CG2-CD1 4.22Å |
| 46 | P | 89.8 | Confident | 82.5 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 135.2 | 171 | -28.6 | 36.9 | 0 | 0 | 0 | 112 | Y30 T48 L49 | Y30-P46 HydrophobicContact CE1-CG 4.43Å; Y30-P46 HydrophobicContact CE2-CB 4.2Å; P46-T48 PolarHBondContact O-N 3.26Å; P46-T48 VanDerWaalsContact O-N 3.17Å; P46-L49 HydrophobicContact CB-CB 4.31Å; P46-L49 HydrophobicContact CB-CD1 4.23Å; P46-L49 HydrophobicContact CG-CD1 3.98Å; P46-L49 WeakPolarHBondContact O-CA 3.49Å; P46-L49 WeakPolarHBondContact O-CB 3.49Å; P46-L49 PolarHBondContact O-N 3.02Å |
| 47 | T | 88.3 | Confident | 82.8 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -56.8 | -35.4 | -175.1 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | L27 Y30 L32 I45 L49 V50 L91 | L27-T47 HydrophobicContact CD1-CG2 4.2Å; Y30-T47 WeakPolarHBondContact O-CB 3.42Å; Y30-T47 WeakPolarHBondContact O-CG2 3.48Å; Y30-T47 PolarHBondContact O-N 3.39Å; Y30-T47 PolarHBondContact O-OG1 3.48Å; L32-T47 HydrophobicContact CD2-CG2 4.44Å; I45-T47 PolarHBondContact O-N 2.98Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.82Å; T47-V50 WeakPolarHBondContact O-CB 3.49Å; T47-V50 PolarHBondContact O-N 2.61Å; T47-L91 HydrophobicContact CG2-CD1 4.26Å |
| 48 | T | 86.4 | Confident | 83.6 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -79.3 | -10.3 | 179.9 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | P46 K66 C449 S450 N451 | P46-T48 PolarHBondContact O-N 3.26Å; P46-T48 VanDerWaalsContact O-N 3.17Å; T48-K66 WeakPolarHBondContact O-CD 3.29Å; T48-K66 VanDerWaalsContact O-CE 3.24Å; T48-K66 WeakPolarHBondContact O-CE 3.5Å; T48-K66 PolarHBondContact O-NZ 3.11Å; T48-C449 WeakPolarHBondContact CB-O 3.3Å; T48-C449 PolarHBondContact OG1-O 2.92Å; T48-S450 PolarHBondContact OG1-O 2.87Å; T48-N451 HydrophobicContact CG2-CB 4.04Å; T48-N451 WeakPolarHBondContact CG2-ND2 3.33Å |
| 49 | L | 88 | Confident | 84.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -84.8 | -14.3 | 168 | -96.4 | 169.2 | 0 | 0 | 0 | 112.6 | P46 T47 T65 K66 I67 C449 L521 | P46-L49 HydrophobicContact CB-CB 4.31Å; P46-L49 HydrophobicContact CB-CD1 4.23Å; P46-L49 HydrophobicContact CG-CD1 3.98Å; P46-L49 WeakPolarHBondContact O-CA 3.49Å; P46-L49 WeakPolarHBondContact O-CB 3.49Å; P46-L49 PolarHBondContact O-N 3.02Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.82Å; L49-T65 CarbonylContact O-C 3.58Å; L49-T65 WeakPolarHBondContact O-CA 3.37Å; L49-T65 VanDerWaalsContact O-CB 3.28Å; L49-T65 WeakPolarHBondContact O-CB 3.44Å; L49-K66 HydrophobicContact CD2-CB 4.33Å; L49-K66 PolarHBondContact O-N 3.31Å; L49-I67 HydrophobicContact CD2-CB 4.34Å; L49-I67 HydrophobicContact CD2-CD1 4.25Å; L49-I67 HydrophobicContact CD2-CG1 4.08Å; L49-I67 HydrophobicContact CD2-CG2 3.58Å; L49-C449 HydrophobicContact CD2-CB 3.55Å; L49-C449 HydrophobicContact CG-CB 3.85Å; L49-L521 HydrophobicContact CD1-CD2 4.26Å |
| 50 | V | 87.6 | Confident | 86.1 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 132.3 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | L32 I45 T47 I63 I92 | L32-V50 HydrophobicContact CD1-CG2 3.81Å; I45-V50 HydrophobicContact CG2-CG2 4.12Å; T47-V50 WeakPolarHBondContact O-CB 3.49Å; T47-V50 PolarHBondContact O-N 2.61Å; V50-I63 HydrophobicContact CG1-CG2 4.23Å; V50-I63 HydrophobicContact CG2-CG2 4.32Å; V50-I92 HydrophobicContact CB-CG1 4.42Å; V50-I92 HydrophobicContact CG1-CD1 3.62Å; V50-I92 HydrophobicContact CG1-CG1 3.87Å |
| 51 | W | 82.4 | Confident | 87.5 | Confident | 103 Ų | 103 | 41.6 Ų | 41.6 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -41 | 175.7 | 178.5 | 63.7 | 0 | 0 | 0 | 111.5 | I64 K66 | W51-I64 HydrophobicContact CE3-CB 4.2Å; W51-I64 HydrophobicContact CE3-CG2 3.81Å; W51-I64 HydrophobicContact CZ3-CG2 4.24Å; W51-I64 PolarHBondContact N-O 2.96Å; W51-K66 HydrophobicContact CB-CG 3.82Å; W51-K66 HydrophobicContact CG-CG 4.45Å |
| 52 | K | 85 | Confident | 88.5 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 147.1 | 177.8 | -163.1 | -177.3 | -175.3 | -168.5 | 0 | 110.8 | E54 I64 | K52-E54 HydrophobicContact CD-CG 3.95Å; K52-E54 WeakPolarHBondContact CE-OE1 3.28Å; K52-E54 HydrophobicContact CG-CG 4.23Å; K52-E54 IonicContact NZ-OE1 3.46Å; K52-E54 PolarHBondContact NZ-OE1 2.96Å; K52-I64 HydrophobicContact CB-CB 4.27Å; K52-I64 HydrophobicContact CB-CD1 4.4Å; K52-I64 HydrophobicContact CD-CD1 4.38Å; K52-I64 PolarHBondContact N-O 3.27Å; K52-I64 VanDerWaalsContact N-O 3.09Å; K52-I64 PolarHBondContact O-N 2.94Å |
| 53 | A | 90.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I61 K62 Y85 I88 I92 | A53-I61 HydrophobicContact CB-CG2 4.49Å; A53-K62 CarbonylContact C-O 3.58Å; A53-K62 WeakPolarHBondContact CA-O 3.44Å; A53-Y85 HydrophobicContact CB-CD2 4.18Å; A53-Y85 HydrophobicContact CB-CE2 3.87Å; A53-I88 HydrophobicContact CB-CG2 3.73Å; A53-I92 HydrophobicContact CB-CD1 4.11Å |
| 54 | E | 90.9 | Very high | 89.2 | Confident | 46 Ų | 46 | 40 Ų | 40 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 114.2 | 178.3 | -57.1 | -178.1 | 131 | 0 | 0 | 108.5 | K52 I61 K62 | K52-E54 HydrophobicContact CD-CG 3.95Å; K52-E54 WeakPolarHBondContact CE-OE1 3.28Å; K52-E54 HydrophobicContact CG-CG 4.23Å; K52-E54 IonicContact NZ-OE1 3.46Å; K52-E54 PolarHBondContact NZ-OE1 2.96Å; E54-I61 WeakPolarHBondContact O-CA 3.25Å; E54-K62 HydrophobicContact CB-CB 4.41Å; E54-K62 PolarHBondContact N-O 3.46Å; E54-K62 PolarHBondContact O-N 2.78Å; E54-K62 IonicContact OE2-NZ 2.9Å; E54-K62 PolarHBondContact OE2-NZ 3.49Å |
| 55 | A | 92 | Very high | 89.3 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 136.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | H60 Y85 | A55-H60 CarbonylContact C-O 3.53Å; A55-H60 WeakPolarHBondContact CA-O 3.4Å; A55-Y85 HydrophobicContact CB-CD1 4.1Å; A55-Y85 HydrophobicContact CB-CD2 3.81Å; A55-Y85 HydrophobicContact CB-CE1 4.33Å; A55-Y85 HydrophobicContact CB-CE2 4.05Å; A55-Y85 HydrophobicContact CB-CG 3.83Å |
| 56 | F | 93.3 | Very high | 89 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.8 | 179.6 | 70 | -76.8 | 0 | 0 | 0 | 111.8 | M58 H60 K62 T72 | F56-M58 PolarHBondContact O-N 3.06Å; F56-H60 HydrophobicContact CD1-CB 3.82Å; F56-H60 HydrophobicContact CD2-CB 4.11Å; F56-H60 HydrophobicContact CE1-CB 3.45Å; F56-H60 VanDerWaalsContact CE1-CB 3.45Å; F56-H60 HydrophobicContact CE2-CB 3.78Å; F56-H60 AromaticContact CE2-CD2 3.92Å; F56-H60 HydrophobicContact CG-CB 4.14Å; F56-H60 HydrophobicContact CZ-CB 3.43Å; F56-H60 VanDerWaalsContact CZ-CB 3.43Å; F56-H60 PolarHBondContact N-O 3.38Å; F56-H60 WeakPolarHBondContact O-CB 3.25Å; F56-H60 PolarHBondContact O-N 2.68Å; F56-K62 HydrophobicContact CD1-CB 4.49Å; F56-K62 HydrophobicContact CE1-CB 3.92Å; F56-T72 HydrophobicContact CE1-CG2 3.97Å; F56-T72 HydrophobicContact CZ-CG2 3.72Å |
| 57 | E | 88.7 | Confident | 88.7 | Confident | 139 Ų | 139 | 40.9 Ų | 40.9 | 65% | 0.65 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 26.3 | 178 | -72.8 | 167.2 | -145.4 | 0 | 0 | 114.7 | I59 H60 | E57-I59 PolarHBondContact O-N 3.4Å; E57-H60 IonicContact OE2-CD2 2.87Å; E57-H60 IonicContact OE2-NE2 3.65Å |
| 58 | M | 89.7 | Confident | 88.2 | Confident | 123 Ų | 123 | 40.1 Ų | 40.1 | 61% | 0.606 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -22.3 | -177.6 | -62.1 | 167.7 | -66.5 | 0 | 0 | 116.1 | F56 E78 C81 | F56-M58 PolarHBondContact O-N 3.06Å; M58-E78 HydrophobicContact CB-CB 4.48Å; M58-E78 HydrophobicContact CB-CG 4.1Å; M58-E78 WeakPolarHBondContact O-CA 3.38Å; M58-C81 WeakPolarHBondContact O-CB 3.3Å |
| 59 | I | 93.4 | Very high | 88.1 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 2.8 | -176.9 | 64.1 | 167 | 0 | 0 | 0 | 114.9 | E57 F75 C81 | E57-I59 PolarHBondContact O-N 3.4Å; I59-F75 PolarHBondContact O-N 3.07Å; I59-C81 VanDerWaalsContact C-SG 3.55Å |
| 60 | H | 92.9 | Very high | 87.8 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.2 | -177.1 | -63.2 | -41.1 | 0 | 0 | 0 | 112.9 | A55 F56 E57 W73 S74 | A55-H60 CarbonylContact C-O 3.53Å; A55-H60 WeakPolarHBondContact CA-O 3.4Å; F56-H60 HydrophobicContact CD1-CB 3.82Å; F56-H60 HydrophobicContact CD2-CB 4.11Å; F56-H60 HydrophobicContact CE1-CB 3.45Å; F56-H60 VanDerWaalsContact CE1-CB 3.45Å; F56-H60 HydrophobicContact CE2-CB 3.78Å; F56-H60 AromaticContact CE2-CD2 3.92Å; F56-H60 HydrophobicContact CG-CB 4.14Å; F56-H60 HydrophobicContact CZ-CB 3.43Å; F56-H60 VanDerWaalsContact CZ-CB 3.43Å; F56-H60 PolarHBondContact N-O 3.38Å; F56-H60 WeakPolarHBondContact O-CB 3.25Å; F56-H60 PolarHBondContact O-N 2.68Å; E57-H60 IonicContact OE2-CD2 2.87Å; E57-H60 IonicContact OE2-NE2 3.65Å; H60-W73 WeakPolarHBondContact CA-O 3.05Å; H60-S74 PolarHBondContact CE1-OG 3.42Å; H60-S74 PolarHBondContact ND1-OG 2.93Å |
| 61 | I | 93.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.9 | 166.5 | -52.9 | -179.6 | 0 | 0 | 0 | 108.7 | A53 E54 I63 T72 W73 F75 Y85 I88 | A53-I61 HydrophobicContact CB-CG2 4.49Å; E54-I61 WeakPolarHBondContact O-CA 3.25Å; I61-I63 HydrophobicContact CG2-CG1 4.4Å; I61-T72 WeakPolarHBondContact O-CA 3.49Å; I61-W73 PolarHBondContact N-O 2.93Å; I61-W73 PolarHBondContact O-N 3.03Å; I61-F75 HydrophobicContact CB-CE2 4.04Å; I61-F75 HydrophobicContact CD1-CD2 4.16Å; I61-F75 HydrophobicContact CD1-CE2 3.41Å; I61-F75 VanDerWaalsContact CD1-CE2 3.41Å; I61-F75 HydrophobicContact CD1-CZ 3.72Å; I61-F75 HydrophobicContact CG1-CD2 4.06Å; I61-F75 HydrophobicContact CG1-CE2 3.6Å; I61-F75 HydrophobicContact CG1-CZ 4.41Å; I61-Y85 HydrophobicContact CG2-CD2 4.4Å; I61-I88 HydrophobicContact CD1-CD1 4.27Å |
| 62 | K | 90.8 | Very high | 88 | Confident | 43 Ų | 43 | 40 Ų | 40 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.1 | 166.7 | 174.5 | 179.6 | 164.8 | -139.6 | 0 | 109.5 | A53 E54 F56 I64 S70 | A53-K62 CarbonylContact C-O 3.58Å; A53-K62 WeakPolarHBondContact CA-O 3.44Å; E54-K62 HydrophobicContact CB-CB 4.41Å; E54-K62 PolarHBondContact N-O 3.46Å; E54-K62 PolarHBondContact O-N 2.78Å; E54-K62 IonicContact OE2-NZ 2.9Å; E54-K62 PolarHBondContact OE2-NZ 3.49Å; F56-K62 HydrophobicContact CD1-CB 4.49Å; F56-K62 HydrophobicContact CE1-CB 3.92Å; K62-I64 HydrophobicContact CG-CG1 4.43Å; K62-S70 VanDerWaalsContact CE-OG 3.31Å; K62-S70 WeakPolarHBondContact CE-OG 3.42Å; K62-S70 WeakPolarHBondContact CG-OG 3.25Å |
| 63 | I | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.5 | 170.6 | -68.3 | 167 | 0 | 0 | 0 | 108.1 | L32 F34 I45 V50 I61 T65 S70 V71 I88 | L32-I63 HydrophobicContact CD1-CD1 3.67Å; F34-I63 HydrophobicContact CE2-CD1 3.61Å; F34-I63 HydrophobicContact CZ-CD1 3.55Å; I45-I63 HydrophobicContact CD1-CG2 4.25Å; V50-I63 HydrophobicContact CG1-CG2 4.23Å; V50-I63 HydrophobicContact CG2-CG2 4.32Å; I61-I63 HydrophobicContact CG2-CG1 4.4Å; I63-T65 HydrophobicContact CG2-CG2 4.2Å; I63-S70 CarbonylContact O-C 3.57Å; I63-S70 WeakPolarHBondContact O-CA 3.43Å; I63-S70 WeakPolarHBondContact O-CB 3.5Å; I63-S70 PolarHBondContact O-OG 2.98Å; I63-V71 PolarHBondContact N-O 3.37Å; I63-V71 PolarHBondContact O-N 3.35Å; I63-I88 HydrophobicContact CD1-CD1 4.36Å |
| 64 | I | 86.1 | Confident | 88.1 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.5 | 169.6 | -47.2 | 178.7 | 0 | 0 | 0 | 107.4 | W51 K52 K62 | W51-I64 HydrophobicContact CE3-CB 4.2Å; W51-I64 HydrophobicContact CE3-CG2 3.81Å; W51-I64 HydrophobicContact CZ3-CG2 4.24Å; W51-I64 PolarHBondContact N-O 2.96Å; K52-I64 HydrophobicContact CB-CB 4.27Å; K52-I64 HydrophobicContact CB-CD1 4.4Å; K52-I64 HydrophobicContact CD-CD1 4.38Å; K52-I64 PolarHBondContact N-O 3.27Å; K52-I64 VanDerWaalsContact N-O 3.09Å; K52-I64 PolarHBondContact O-N 2.94Å; K62-I64 HydrophobicContact CG-CG1 4.43Å |
| 65 | T | 87.2 | Confident | 88.2 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 155.5 | -177.4 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | I45 L49 I63 I67 G68 I69 L521 | I45-T65 HydrophobicContact CD1-CG2 4.48Å; I45-T65 HydrophobicContact CG2-CG2 3.76Å; L49-T65 CarbonylContact O-C 3.58Å; L49-T65 WeakPolarHBondContact O-CA 3.37Å; L49-T65 VanDerWaalsContact O-CB 3.28Å; L49-T65 WeakPolarHBondContact O-CB 3.44Å; I63-T65 HydrophobicContact CG2-CG2 4.2Å; T65-I67 PolarHBondContact O-N 3.14Å; T65-I67 VanDerWaalsContact O-N 3.12Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.42Å; T65-G68 PolarHBondContact O-N 3.46Å; T65-I69 WeakPolarHBondContact CB-O 3.31Å; T65-I69 PolarHBondContact N-O 2.98Å; T65-I69 PolarHBondContact OG1-N 3.1Å; T65-I69 PolarHBondContact OG1-O 3.44Å; T65-L521 HydrophobicContact CG2-CD1 3.88Å |
| 66 | K | 84 | Confident | 88.2 | Confident | 35 Ų | 35 | 39.2 Ų | 39.2 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.1 | 177.5 | -63.5 | 177.3 | 178.5 | 170.5 | 0 | 114 | T48 L49 W51 F301 S400 G401 | T48-K66 WeakPolarHBondContact O-CD 3.29Å; T48-K66 VanDerWaalsContact O-CE 3.24Å; T48-K66 WeakPolarHBondContact O-CE 3.5Å; T48-K66 PolarHBondContact O-NZ 3.11Å; L49-K66 HydrophobicContact CD2-CB 4.33Å; L49-K66 PolarHBondContact O-N 3.31Å; W51-K66 HydrophobicContact CB-CG 3.82Å; W51-K66 HydrophobicContact CG-CG 4.45Å; K66-F301 WeakPolarHBondContact O-CE1 3.29Å; K66-S400 WeakPolarHBondContact CD-O 3.35Å; K66-S400 WeakPolarHBondContact CE-O 3.27Å; K66-S400 PolarHBondContact NZ-O 2.57Å; K66-G401 PolarHBondContact NZ-O 3.44Å |
| 67 | I | 84 | Confident | 88.1 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 4.4 | 175.7 | 61.2 | 175.4 | 0 | 0 | 0 | 113.3 | L49 T65 I69 L446 F516 L521 | L49-I67 HydrophobicContact CD2-CB 4.34Å; L49-I67 HydrophobicContact CD2-CD1 4.25Å; L49-I67 HydrophobicContact CD2-CG1 4.08Å; L49-I67 HydrophobicContact CD2-CG2 3.58Å; T65-I67 PolarHBondContact O-N 3.14Å; T65-I67 VanDerWaalsContact O-N 3.12Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.42Å; I67-I69 HydrophobicContact CD1-CD1 4.19Å; I67-L446 HydrophobicContact CD1-CD2 3.66Å; I67-F516 HydrophobicContact CB-CE1 3.7Å; I67-F516 HydrophobicContact CB-CZ 3.98Å; I67-F516 HydrophobicContact CD1-CZ 4.36Å; I67-F516 HydrophobicContact CG2-CE1 3.86Å; I67-F516 HydrophobicContact CG2-CZ 3.71Å; I67-L521 HydrophobicContact CD1-CD1 3.86Å; I67-L521 HydrophobicContact CD1-CD2 4.3Å; I67-L521 HydrophobicContact CD1-CG 3.96Å; I67-L521 HydrophobicContact CG1-CD1 4.38Å |
| 68 | G | 77.3 | Confident | 88.3 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 94.4 | -12.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | T65 S70 | T65-G68 PolarHBondContact O-N 3.46Å; G68-S70 PolarHBondContact O-N 2.96Å |
| 69 | I | 83.2 | Confident | 88.4 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -65.8 | 132.1 | 170.4 | -69.2 | 171.4 | 0 | 0 | 0 | 108.7 | W43 T65 I67 V71 Y517 A520 L521 | W43-I69 HydrophobicContact CE3-CG2 4.48Å; W43-I69 HydrophobicContact CH2-CG2 4.22Å; W43-I69 HydrophobicContact CZ3-CG2 3.66Å; T65-I69 WeakPolarHBondContact CB-O 3.31Å; T65-I69 PolarHBondContact N-O 2.98Å; T65-I69 PolarHBondContact OG1-N 3.1Å; T65-I69 PolarHBondContact OG1-O 3.44Å; I67-I69 HydrophobicContact CD1-CD1 4.19Å; I69-V71 HydrophobicContact CG2-CG2 3.75Å; I69-Y517 WeakPolarHBondContact CG1-O 3.19Å; I69-A520 HydrophobicContact CD1-CB 4.2Å; I69-L521 HydrophobicContact CB-CD1 4.29Å; I69-L521 HydrophobicContact CD1-CB 4.13Å; I69-L521 HydrophobicContact CD1-CD1 4.08Å; I69-L521 HydrophobicContact CD1-CG 3.92Å; I69-L521 HydrophobicContact CG2-CD1 4.27Å | ||
| 70 | S | 83.3 | Confident | 88.3 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.2 | 168.6 | -172.5 | 0 | 0 | 0 | 0 | 110 | K62 I63 G68 | K62-S70 VanDerWaalsContact CE-OG 3.31Å; K62-S70 WeakPolarHBondContact CE-OG 3.42Å; K62-S70 WeakPolarHBondContact CG-OG 3.25Å; I63-S70 CarbonylContact O-C 3.57Å; I63-S70 WeakPolarHBondContact O-CA 3.43Å; I63-S70 WeakPolarHBondContact O-CB 3.5Å; I63-S70 PolarHBondContact O-OG 2.98Å; G68-S70 PolarHBondContact O-N 2.96Å |
| 71 | V | 85 | Confident | 88.3 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.2 | -176.4 | -160.1 | 0 | 0 | 0 | 0 | 109.5 | W43 I45 I63 I69 W73 | W43-V71 HydrophobicContact CD2-CG1 4.28Å; W43-V71 HydrophobicContact CD2-CG2 4.13Å; W43-V71 HydrophobicContact CE3-CG2 3.86Å; W43-V71 HydrophobicContact CG-CG1 4.48Å; W43-V71 HydrophobicContact CH2-CG2 4.29Å; W43-V71 HydrophobicContact CZ3-CG2 3.96Å; I45-V71 HydrophobicContact CD1-CG2 4.18Å; I63-V71 PolarHBondContact N-O 3.37Å; I63-V71 PolarHBondContact O-N 3.35Å; I69-V71 HydrophobicContact CG2-CG2 3.75Å; V71-W73 HydrophobicContact CG1-CZ2 3.67Å; V71-W73 VanDerWaalsContact CG1-NE1 3.34Å |
| 72 | T | 88.1 | Confident | 88.2 | Confident | 72 Ų | 72 | 38.2 Ų | 38.2 | 44% | 0.442 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.8 | 179.3 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | F56 I61 | F56-T72 HydrophobicContact CE1-CG2 3.97Å; F56-T72 HydrophobicContact CZ-CG2 3.72Å; I61-T72 WeakPolarHBondContact O-CA 3.49Å |
| 73 | W | 87.6 | Confident | 88.2 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.9 | -176.1 | -66.7 | 100.8 | 0 | 0 | 0 | 112.4 | I20 F34 T36 S41 W43 H60 I61 V71 F75 | I20-W73 HydrophobicContact CD1-CE3 3.76Å; I20-W73 HydrophobicContact CD1-CZ3 3.93Å; F34-W73 HydrophobicContact CB-CD2 4.03Å; F34-W73 HydrophobicContact CB-CE3 4.13Å; F34-W73 HydrophobicContact CB-CH2 3.41Å; F34-W73 VanDerWaalsContact CB-CH2 3.41Å; F34-W73 HydrophobicContact CB-CZ2 3.28Å; F34-W73 HydrophobicContact CB-CZ3 3.85Å; F34-W73 HydrophobicContact CD1-CB 4.26Å; F34-W73 AromaticContact CD1-CD1 3.72Å; F34-W73 AromaticContact CD1-CD2 3.34Å; F34-W73 HydrophobicContact CD1-CD2 3.34Å; F34-W73 AromaticContact CD1-CE2 3.52Å; F34-W73 AromaticContact CD1-CE3 3.85Å; F34-W73 HydrophobicContact CD1-CE3 3.85Å; F34-W73 AromaticContact CD1-CG 3.5Å; F34-W73 HydrophobicContact CD1-CG 3.5Å; F34-W73 HydrophobicContact CD1-CZ2 4.16Å; F34-W73 HydrophobicContact CD1-CZ3 4.43Å; F34-W73 AromaticContact CD1-NE1 3.69Å; F34-W73 HydrophobicContact CD2-CD2 4.48Å; F34-W73 AromaticContact CD2-CE2 3.8Å; F34-W73 HydrophobicContact CD2-CZ2 4.11Å; F34-W73 AromaticContact CD2-NE1 3.58Å; F34-W73 HydrophobicContact CE1-CB 3.96Å; F34-W73 AromaticContact CE1-CD1 3.44Å; F34-W73 VanDerWaalsContact CE1-CD1 3.44Å; F34-W73 AromaticContact CE1-CD2 3.84Å; F34-W73 HydrophobicContact CE1-CD2 3.84Å; F34-W73 AromaticContact CE1-CG 3.44Å; F34-W73 HydrophobicContact CE1-CG 3.44Å; F34-W73 VanDerWaalsContact CE1-CG 3.44Å; F34-W73 AromaticContact CE1-NE1 3.8Å; F34-W73 AromaticContact CE2-CD1 3.96Å; F34-W73 AromaticContact CE2-NE1 3.7Å; F34-W73 AromaticContact CG-CD2 3.71Å; F34-W73 HydrophobicContact CG-CD2 3.71Å; F34-W73 AromaticContact CG-CE2 3.35Å; F34-W73 HydrophobicContact CG-CE3 4.25Å; F34-W73 HydrophobicContact CG-CG 4.17Å; F34-W73 HydrophobicContact CG-CH2 4.15Å; F34-W73 AromaticContact CG-CZ2 3.61Å; F34-W73 HydrophobicContact CG-CZ2 3.61Å; F34-W73 HydrophobicContact CG-CZ3 4.44Å; F34-W73 AromaticContact CG-NE1 3.57Å; F34-W73 AromaticContact CZ-CD1 3.59Å; F34-W73 HydrophobicContact CZ-CG 4.07Å; F34-W73 AromaticContact CZ-NE1 3.82Å; T36-W73 HydrophobicContact CG2-CH2 4.39Å; T36-W73 HydrophobicContact CG2-CZ3 3.95Å; S41-W73 WeakPolarHBondContact O-CH2 3.28Å; W43-W73 HydrophobicContact CB-CZ2 3.99Å; W43-W73 AromaticContact CD1-CH2 3.63Å; W43-W73 AromaticContact CD1-CZ2 3.46Å; W43-W73 VanDerWaalsContact CD1-CZ2 3.46Å; W43-W73 HydrophobicContact CG-CH2 4.4Å; W43-W73 AromaticContact CG-CZ2 3.86Å; W43-W73 HydrophobicContact CG-CZ2 3.86Å; H60-W73 WeakPolarHBondContact CA-O 3.05Å; I61-W73 PolarHBondContact N-O 2.93Å; I61-W73 PolarHBondContact O-N 3.03Å; V71-W73 HydrophobicContact CG1-CZ2 3.67Å; V71-W73 VanDerWaalsContact CG1-NE1 3.34Å; W73-F75 HydrophobicContact CB-CE2 4.27Å |
| 74 | S | 90.8 | Very high | 88.2 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 114.4 | 179.1 | -46.5 | 0 | 0 | 0 | 0 | 110.6 | I20 A21 H60 | I20-S74 WeakPolarHBondContact CB-O 3.36Å; A21-S74 PolarHBondContact N-O 3.19Å; H60-S74 PolarHBondContact CE1-OG 3.42Å; H60-S74 PolarHBondContact ND1-OG 2.93Å |
| 75 | F | 92 | Very high | 88.5 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -78.6 | 164.1 | 174.4 | -72.7 | -98.7 | 0 | 0 | 0 | 110.7 | K18 I20 F25 I59 I61 W73 D77 A80 C81 | K18-F75 HydrophobicContact CB-CE1 4.34Å; I20-F75 HydrophobicContact CG2-CD1 3.84Å; I20-F75 HydrophobicContact CG2-CD2 4.46Å; I20-F75 HydrophobicContact CG2-CE1 3.79Å; I20-F75 HydrophobicContact CG2-CE2 4.38Å; I20-F75 HydrophobicContact CG2-CG 4.19Å; I20-F75 HydrophobicContact CG2-CZ 4.06Å; F25-F75 HydrophobicContact CB-CE1 4.35Å; F25-F75 HydrophobicContact CD1-CE1 4.04Å; F25-F75 HydrophobicContact CD1-CZ 4.22Å; F25-F75 HydrophobicContact CG-CE1 4.41Å; F25-F75 HydrophobicContact CG-CZ 4.38Å; I59-F75 PolarHBondContact O-N 3.07Å; I61-F75 HydrophobicContact CB-CE2 4.04Å; I61-F75 HydrophobicContact CD1-CD2 4.16Å; I61-F75 HydrophobicContact CD1-CE2 3.41Å; I61-F75 VanDerWaalsContact CD1-CE2 3.41Å; I61-F75 HydrophobicContact CD1-CZ 3.72Å; I61-F75 HydrophobicContact CG1-CD2 4.06Å; I61-F75 HydrophobicContact CG1-CE2 3.6Å; I61-F75 HydrophobicContact CG1-CZ 4.41Å; W73-F75 HydrophobicContact CB-CE2 4.27Å; F75-D77 VanDerWaalsContact C-N 3.33Å; F75-A80 HydrophobicContact CB-CB 4.33Å; F75-A80 HydrophobicContact CD1-CB 4.15Å; F75-A80 WeakPolarHBondContact CD1-O 3.22Å; F75-C81 HydrophobicContact CB-CB 3.89Å; F75-C81 HydrophobicContact CD2-CB 4.29Å; F75-C81 HydrophobicContact CG-CB 4.09Å |
| 76 | V | 92.1 | Very high | 88.6 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -72.1 | -32 | -179.1 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 77 | D | 91.9 | Very high | 88.8 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -156 | 168.4 | -177.7 | 56.6 | 75 | 0 | 0 | 0 | 110.5 | F75 I79 A80 C81 | F75-D77 VanDerWaalsContact C-N 3.33Å; D77-I79 VanDerWaalsContact C-N 3.34Å; D77-I79 PolarHBondContact O-N 2.84Å; D77-I79 WeakPolarHBondContact OD1-CB 3.39Å; D77-I79 PolarHBondContact OD1-N 3.2Å; D77-I79 VanDerWaalsContact OD1-N 3.16Å; D77-A80 PolarHBondContact O-N 3.08Å; D77-A80 WeakPolarHBondContact OD1-CB 3.39Å; D77-A80 PolarHBondContact OD1-N 3.22Å; D77-C81 PolarHBondContact O-N 2.86Å |
| 78 | E | 92.6 | Very high | 89 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -38.1 | -178.9 | -177.5 | 174.6 | -156.1 | 0 | 0 | 112.4 | M58 A80 C81 D82 | M58-E78 HydrophobicContact CB-CB 4.48Å; M58-E78 HydrophobicContact CB-CG 4.1Å; M58-E78 WeakPolarHBondContact O-CA 3.38Å; E78-A80 PolarHBondContact O-N 2.76Å; E78-C81 WeakPolarHBondContact O-CB 3.48Å; E78-C81 PolarHBondContact O-N 2.83Å; E78-C81 VanDerWaalsContact O-N 3.14Å; E78-D82 PolarHBondContact O-N 3.22Å |
| 79 | I | 91.5 | Very high | 89.5 | Confident | 139 Ų | 139 | 45.5 Ų | 45.5 | 71% | 0.713 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | -179.6 | -54.7 | 173.6 | 0 | 0 | 0 | 110.5 | D77 A83 | D77-I79 VanDerWaalsContact C-N 3.34Å; D77-I79 PolarHBondContact O-N 2.84Å; D77-I79 WeakPolarHBondContact OD1-CB 3.39Å; D77-I79 PolarHBondContact OD1-N 3.2Å; D77-I79 VanDerWaalsContact OD1-N 3.16Å; I79-A83 WeakPolarHBondContact O-CB 3.5Å; I79-A83 PolarHBondContact O-N 2.73Å |
| 80 | A | 90.5 | Very high | 89.5 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68 | -35.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | F75 D77 E78 G84 | F75-A80 HydrophobicContact CB-CB 4.33Å; F75-A80 HydrophobicContact CD1-CB 4.15Å; F75-A80 WeakPolarHBondContact CD1-O 3.22Å; D77-A80 PolarHBondContact O-N 3.08Å; D77-A80 WeakPolarHBondContact OD1-CB 3.39Å; D77-A80 PolarHBondContact OD1-N 3.22Å; E78-A80 PolarHBondContact O-N 2.76Å; A80-G84 PolarHBondContact O-N 2.89Å |
| 81 | C | 93.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.6 | -56.4 | 175.7 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | M58 I59 F75 D77 E78 A83 G84 Y85 | M58-C81 WeakPolarHBondContact O-CB 3.3Å; I59-C81 VanDerWaalsContact C-SG 3.55Å; F75-C81 HydrophobicContact CB-CB 3.89Å; F75-C81 HydrophobicContact CD2-CB 4.29Å; F75-C81 HydrophobicContact CG-CB 4.09Å; D77-C81 PolarHBondContact O-N 2.86Å; E78-C81 WeakPolarHBondContact O-CB 3.48Å; E78-C81 PolarHBondContact O-N 2.83Å; E78-C81 VanDerWaalsContact O-N 3.14Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.35Å; C81-G84 CarbonylContact O-C 3.13Å; C81-G84 WeakPolarHBondContact O-CA 3.44Å; C81-G84 PolarHBondContact O-N 2.99Å; C81-Y85 WeakPolarHBondContact O-CB 3.49Å; C81-Y85 PolarHBondContact O-N 3.47Å |
| 82 | D | 92.3 | Very high | 88.9 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 178.9 | -81.5 | -8.5 | 0 | 0 | 0 | 111.7 | E78 G84 Y85 A86 | E78-D82 PolarHBondContact O-N 3.22Å; D82-G84 VanDerWaalsContact C-N 3.31Å; D82-G84 PolarHBondContact O-N 2.71Å; D82-Y85 PolarHBondContact O-N 3.34Å; D82-A86 WeakPolarHBondContact O-CB 3.43Å; D82-A86 PolarHBondContact O-N 3.41Å |
| 83 | A | 89.6 | Confident | 88.4 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 21% | 0.207 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I79 C81 H87 | I79-A83 WeakPolarHBondContact O-CB 3.5Å; I79-A83 PolarHBondContact O-N 2.73Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.35Å; A83-H87 PolarHBondContact O-ND1 2.93Å |
| 84 | G | 89.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.1 | -47.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A80 C81 D82 H87 I88 | A80-G84 PolarHBondContact O-N 2.89Å; C81-G84 CarbonylContact O-C 3.13Å; C81-G84 WeakPolarHBondContact O-CA 3.44Å; C81-G84 PolarHBondContact O-N 2.99Å; D82-G84 VanDerWaalsContact C-N 3.31Å; D82-G84 PolarHBondContact O-N 2.71Å; G84-H87 PolarHBondContact O-N 3.25Å; G84-I88 WeakPolarHBondContact O-CG1 3.17Å; G84-I88 PolarHBondContact O-N 2.92Å; G84-I88 VanDerWaalsContact O-N 3.14Å |
| 85 | Y | 92.2 | Very high | 86.7 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | -178.9 | -176.5 | -113.8 | 0 | 0 | 0 | 112.1 | A53 A55 I61 C81 D82 H87 I88 T89 | A53-Y85 HydrophobicContact CB-CD2 4.18Å; A53-Y85 HydrophobicContact CB-CE2 3.87Å; A55-Y85 HydrophobicContact CB-CD1 4.1Å; A55-Y85 HydrophobicContact CB-CD2 3.81Å; A55-Y85 HydrophobicContact CB-CE1 4.33Å; A55-Y85 HydrophobicContact CB-CE2 4.05Å; A55-Y85 HydrophobicContact CB-CG 3.83Å; I61-Y85 HydrophobicContact CG2-CD2 4.4Å; C81-Y85 WeakPolarHBondContact O-CB 3.49Å; C81-Y85 PolarHBondContact O-N 3.47Å; D82-Y85 PolarHBondContact O-N 3.34Å; Y85-H87 VanDerWaalsContact C-N 3.32Å; Y85-H87 PolarHBondContact O-N 3.45Å; Y85-I88 PolarHBondContact O-N 3.32Å; Y85-I88 VanDerWaalsContact O-N 3.15Å; Y85-T89 WeakPolarHBondContact O-CB 3.36Å; Y85-T89 PolarHBondContact O-N 3.15Å; Y85-T89 PolarHBondContact O-OG1 3.4Å; Y85-T89 VanDerWaalsContact O-OG1 3.12Å |
| 86 | A | 91 | Very high | 85.9 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | D82 S90 | D82-A86 WeakPolarHBondContact O-CB 3.43Å; D82-A86 PolarHBondContact O-N 3.41Å; A86-S90 WeakPolarHBondContact O-CB 3.49Å; A86-S90 PolarHBondContact O-N 3.45Å |
| 87 | H | 87.3 | Confident | 85.4 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 175.8 | -72.5 | 91.5 | 0 | 0 | 0 | 112.5 | N16 L27 A83 G84 Y85 L91 | N16-H87 PolarHBondContact ND2-CE1 3.02Å; N16-H87 PolarHBondContact ND2-NE2 3.38Å; L27-H87 HydrophobicContact CD2-CB 3.77Å; A83-H87 PolarHBondContact O-ND1 2.93Å; G84-H87 PolarHBondContact O-N 3.25Å; Y85-H87 VanDerWaalsContact C-N 3.32Å; Y85-H87 PolarHBondContact O-N 3.45Å; H87-L91 WeakPolarHBondContact O-CG 3.04Å; H87-L91 PolarHBondContact O-N 3.48Å |
| 88 | I | 88 | Confident | 84.8 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 179.1 | -67.4 | 165.1 | 0 | 0 | 0 | 110.3 | F25 L32 A53 I61 I63 G84 Y85 L91 I92 | F25-I88 HydrophobicContact CE2-CD1 4.41Å; F25-I88 HydrophobicContact CZ-CD1 3.95Å; F25-I88 HydrophobicContact CZ-CG1 4.05Å; L32-I88 HydrophobicContact CD1-CD1 4.43Å; L32-I88 HydrophobicContact CD1-CG1 4.26Å; L32-I88 HydrophobicContact CD1-CG2 4.49Å; L32-I88 HydrophobicContact CD2-CG1 4.16Å; A53-I88 HydrophobicContact CB-CG2 3.73Å; I61-I88 HydrophobicContact CD1-CD1 4.27Å; I63-I88 HydrophobicContact CD1-CD1 4.36Å; G84-I88 WeakPolarHBondContact O-CG1 3.17Å; G84-I88 PolarHBondContact O-N 2.92Å; G84-I88 VanDerWaalsContact O-N 3.14Å; Y85-I88 PolarHBondContact O-N 3.32Å; Y85-I88 VanDerWaalsContact O-N 3.15Å; I88-L91 PolarHBondContact O-N 3.38Å; I88-L91 VanDerWaalsContact O-N 3.17Å; I88-I92 HydrophobicContact CG2-CD1 4.09Å; I88-I92 WeakPolarHBondContact O-CG1 3.5Å; I88-I92 PolarHBondContact O-N 2.94Å; I88-I92 VanDerWaalsContact O-N 3.1Å |
| 89 | T | 87.6 | Confident | 84.3 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | Y85 L91 I92 D93 | Y85-T89 WeakPolarHBondContact O-CB 3.36Å; Y85-T89 PolarHBondContact O-N 3.15Å; Y85-T89 PolarHBondContact O-OG1 3.4Å; Y85-T89 VanDerWaalsContact O-OG1 3.12Å; T89-L91 PolarHBondContact O-N 2.85Å; T89-I92 WeakPolarHBondContact O-CB 3.17Å; T89-I92 PolarHBondContact O-N 3.14Å; T89-D93 WeakPolarHBondContact CG2-OD2 3.35Å; T89-D93 PolarHBondContact O-N 3.31Å |
| 90 | S | 84.6 | Confident | 83.9 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.2 | -38.5 | 173.7 | -178.7 | 0 | 0 | 0 | 0 | 113 | A86 T94 | A86-S90 WeakPolarHBondContact O-CB 3.49Å; A86-S90 PolarHBondContact O-N 3.45Å; S90-T94 VanDerWaalsContact O-CB 3.31Å; S90-T94 WeakPolarHBondContact O-CB 3.5Å; S90-T94 PolarHBondContact O-N 3.38Å; S90-T94 PolarHBondContact O-OG1 2.92Å |
| 91 | L | 77.5 | Confident | 83.7 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.1 | -18.9 | 177.4 | -71.9 | 168.9 | 0 | 0 | 0 | 114.9 | L27 T47 H87 I88 T89 R96 | L27-L91 HydrophobicContact CD1-CD1 3.24Å; L27-L91 HydrophobicContact CD2-CD1 3.58Å; L27-L91 HydrophobicContact CG-CD1 3.98Å; T47-L91 HydrophobicContact CG2-CD1 4.26Å; H87-L91 WeakPolarHBondContact O-CG 3.04Å; H87-L91 PolarHBondContact O-N 3.48Å; I88-L91 PolarHBondContact O-N 3.38Å; I88-L91 VanDerWaalsContact O-N 3.17Å; T89-L91 PolarHBondContact O-N 2.85Å; L91-R96 PolarHBondContact O-NH1 3.41Å |
| 92 | I | 78.1 | Confident | 83.6 | Confident | 42 Ų | 42 | 52.8 Ų | 52.8 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.2 | -49 | 169.2 | -64.8 | 165.9 | 0 | 0 | 0 | 108.6 | V50 A53 I88 T89 R96 | V50-I92 HydrophobicContact CB-CG1 4.42Å; V50-I92 HydrophobicContact CG1-CD1 3.62Å; V50-I92 HydrophobicContact CG1-CG1 3.87Å; A53-I92 HydrophobicContact CB-CD1 4.11Å; I88-I92 HydrophobicContact CG2-CD1 4.09Å; I88-I92 WeakPolarHBondContact O-CG1 3.5Å; I88-I92 PolarHBondContact O-N 2.94Å; I88-I92 VanDerWaalsContact O-N 3.1Å; T89-I92 WeakPolarHBondContact O-CB 3.17Å; T89-I92 PolarHBondContact O-N 3.14Å; I92-R96 PolarHBondContact O-NH2 3.13Å |
| 93 | D | 76.1 | Confident | 83.5 | Confident | 114 Ų | 114 | 48.4 Ų | 48.4 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -78.3 | -24 | -172 | -64.1 | -18 | 0 | 0 | 0 | 114 | T89 P95 | T89-D93 WeakPolarHBondContact CG2-OD2 3.35Å; T89-D93 PolarHBondContact O-N 3.31Å; D93-P95 WeakPolarHBondContact O-CD 3.23Å |
| 94 | T | 75.7 | Confident | 83.5 | Confident | 69 Ų | 69 | 47.8 Ų | 47.8 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -59 | 117.4 | 177 | -68 | 0 | 0 | 0 | 0 | 110.5 | S90 R96 | S90-T94 VanDerWaalsContact O-CB 3.31Å; S90-T94 WeakPolarHBondContact O-CB 3.5Å; S90-T94 PolarHBondContact O-N 3.38Å; S90-T94 PolarHBondContact O-OG1 2.92Å; T94-R96 PolarHBondContact O-N 2.94Å |
| 95 | P | 67.7 | Low | 83.5 | Confident | 80 Ų | 80 | 52.9 Ų | 52.9 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 125.2 | 176.1 | -20.6 | 33.6 | 0 | 0 | 0 | 110.5 | D93 P405 | D93-P95 WeakPolarHBondContact O-CD 3.23Å; P95-P405 HydrophobicContact CB-CB 4.03Å; P95-P405 HydrophobicContact CB-CG 3.77Å; P95-P405 HydrophobicContact CG-CB 4.43Å |
| 96 | R | 76 | Confident | 83.3 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 126.6 | 176.2 | -75.8 | 171.3 | -79.8 | -93.9 | -15.7 | 110.1 | L91 I92 T94 L101 V403 S404 | L91-R96 PolarHBondContact O-NH1 3.41Å; I92-R96 PolarHBondContact O-NH2 3.13Å; T94-R96 PolarHBondContact O-N 2.94Å; R96-L101 HydrophobicContact CB-CD2 3.96Å; R96-L101 HydrophobicContact CG-CD2 4.18Å; R96-V403 WeakPolarHBondContact O-CA 3.38Å; R96-V403 WeakPolarHBondContact O-CG1 3.42Å; R96-S404 PolarHBondContact O-N 3.29Å |
| 97 | D | 80 | Confident | 83 | Confident | 87 Ų | 87 | 47.2 Ų | 47.2 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | trans | -91.6 | 177.6 | 155.1 | 61.5 | 47.9 | 0 | 0 | 0 | 110.1 | D99 S100 L101 | D97-D99 VanDerWaalsContact C-N 3.29Å; D97-D99 PolarHBondContact O-N 3.09Å; D97-D99 WeakPolarHBondContact OD1-CA 3.32Å; D97-D99 WeakPolarHBondContact OD1-CB 3.09Å; D97-D99 PolarHBondContact OD1-N 2.74Å; D97-S100 PolarHBondContact N-OG 3.22Å; D97-S100 PolarHBondContact O-OG 3.41Å; D97-S100 WeakPolarHBondContact OD1-CB 3.16Å; D97-S100 PolarHBondContact OD1-N 3.4Å; D97-S100 PolarHBondContact OD1-OG 3.2Å; D97-L101 WeakPolarHBondContact O-CG 3.44Å | ||
| 98 | I | 80.3 | Confident | 83 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -69.3 | -27.9 | -179.4 | -66.5 | 171.2 | 0 | 0 | 0 | 112.2 | L101 C104 V403 A467 | I98-L101 WeakPolarHBondContact O-CB 3.2Å; I98-L101 PolarHBondContact O-N 3.1Å; I98-C104 PolarHBondContact O-SG 3.02Å; I98-V403 HydrophobicContact CG1-CG1 4.34Å; I98-V403 HydrophobicContact CG1-CG2 4.16Å; I98-A467 HydrophobicContact CD1-CB 3.5Å; I98-A467 VanDerWaalsContact CD1-CB 3.5Å |
| 99 | D | 81.5 | Confident | 82.8 | Confident | 102 Ų | 102 | 48.6 Ų | 48.6 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -31.5 | -173.4 | -63 | 14.6 | 0 | 0 | 0 | 110.8 | D97 L101 R472 | D97-D99 VanDerWaalsContact C-N 3.29Å; D97-D99 PolarHBondContact O-N 3.09Å; D97-D99 WeakPolarHBondContact OD1-CA 3.32Å; D97-D99 WeakPolarHBondContact OD1-CB 3.09Å; D97-D99 PolarHBondContact OD1-N 2.74Å; D99-L101 VanDerWaalsContact C-N 3.28Å; D99-L101 PolarHBondContact O-N 3.28Å; D99-R472 IonicContact OD1-CZ 3.21Å; D99-R472 IonicContact OD1-NH1 3.74Å; D99-R472 PolarHBondContact OD1-NH1 2.67Å; D99-R472 IonicContact OD1-NH2 3.73Å; D99-R472 PolarHBondContact OD1-NH2 2.76Å; D99-R472 IonicContact OD2-NH2 3.91Å; D99-R472 PolarHBondContact OD2-NH2 3.35Å |
| 100 | S | 83.5 | Confident | 82.4 | Confident | 57 Ų | 57 | 47 Ų | 47 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.5 | 172.4 | 75.5 | 0 | 0 | 0 | 0 | 114.3 | D97 | D97-S100 PolarHBondContact N-OG 3.22Å; D97-S100 PolarHBondContact O-OG 3.41Å; D97-S100 WeakPolarHBondContact OD1-CB 3.16Å; D97-S100 PolarHBondContact OD1-N 3.4Å; D97-S100 PolarHBondContact OD1-OG 3.2Å |
| 101 | L | 86.2 | Confident | 82 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -71.9 | 144.1 | -173.2 | -61.9 | -172.1 | 0 | 0 | 0 | 113.1 | R96 D97 I98 D99 A103 C104 V403 N451 L457 | R96-L101 HydrophobicContact CB-CD2 3.96Å; R96-L101 HydrophobicContact CG-CD2 4.18Å; D97-L101 WeakPolarHBondContact O-CG 3.44Å; I98-L101 WeakPolarHBondContact O-CB 3.2Å; I98-L101 PolarHBondContact O-N 3.1Å; D99-L101 VanDerWaalsContact C-N 3.28Å; D99-L101 PolarHBondContact O-N 3.28Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 3.21Å; L101-C104 PolarHBondContact O-N 3.19Å; L101-C104 VanDerWaalsContact O-N 3.13Å; L101-V403 HydrophobicContact CD1-CG2 3.91Å; L101-V403 HydrophobicContact CD2-CG2 4.48Å; L101-N451 WeakPolarHBondContact CD2-ND2 3.3Å; L101-L457 HydrophobicContact CD1-CD1 3.82Å; L101-L457 HydrophobicContact CD1-CD2 3.61Å; L101-L457 HydrophobicContact CD1-CG 4.39Å |
| 102 | F | 90.5 | Very high | 82.1 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -35.1 | -180 | -172.5 | -99 | 0 | 0 | 0 | 113.3 | L9 G11 E12 N29 Y30 C104 K105 F106 L452 | L9-F102 HydrophobicContact CB-CE1 4.35Å; L9-F102 HydrophobicContact CB-CZ 4.09Å; L9-F102 HydrophobicContact CD1-CE1 3.54Å; L9-F102 HydrophobicContact CD1-CZ 4.03Å; G11-F102 WeakPolarHBondContact O-CE2 3.46Å; E12-F102 HydrophobicContact CB-CE2 3.96Å; E12-F102 HydrophobicContact CB-CZ 3.78Å; N29-F102 WeakPolarHBondContact OD1-CE2 3.18Å; Y30-F102 HydrophobicContact CD2-CB 3.87Å; Y30-F102 AromaticContact CD2-CD1 3.37Å; Y30-F102 HydrophobicContact CD2-CD1 3.37Å; Y30-F102 HydrophobicContact CD2-CD2 4.42Å; Y30-F102 HydrophobicContact CD2-CE1 4.08Å; Y30-F102 AromaticContact CD2-CG 3.59Å; Y30-F102 HydrophobicContact CD2-CG 3.59Å; Y30-F102 AromaticContact CE2-CD1 3.99Å; Y30-F102 HydrophobicContact CE2-CD1 3.99Å; Y30-F102 AromaticContact CG-CD1 3.73Å; Y30-F102 HydrophobicContact CG-CD1 3.73Å; Y30-F102 HydrophobicContact CG-CD2 4.36Å; Y30-F102 HydrophobicContact CG-CE1 4.01Å; Y30-F102 AromaticContact CG-CG 3.93Å; Y30-F102 HydrophobicContact CG-CG 3.93Å; Y30-F102 HydrophobicContact CG-CZ 4.46Å; F102-C104 PolarHBondContact O-N 2.89Å; F102-C104 VanDerWaalsContact O-N 3.11Å; F102-K105 HydrophobicContact CD2-CB 4.5Å; F102-K105 PolarHBondContact O-N 2.94Å; F102-F106 HydrophobicContact CD1-CB 4.09Å; F102-F106 HydrophobicContact CE1-CB 3.65Å; F102-F106 HydrophobicContact CE1-CD2 4.2Å; F102-F106 HydrophobicContact CE1-CG 4.16Å; F102-F106 HydrophobicContact CZ-CB 4.17Å; F102-F106 WeakPolarHBondContact O-CB 3.13Å; F102-F106 PolarHBondContact O-N 2.71Å; F102-L452 HydrophobicContact CD1-CD1 3.84Å; F102-L452 HydrophobicContact CE1-CD1 3.68Å |
| 103 | A | 89.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -50.8 | -34.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | L101 R107 N451 T473 | L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 3.21Å; A103-R107 VanDerWaalsContact O-CB 3.29Å; A103-R107 WeakPolarHBondContact O-CB 3.47Å; A103-R107 PolarHBondContact O-N 3.34Å; A103-R107 VanDerWaalsContact O-N 3.16Å; A103-N451 WeakPolarHBondContact CB-O 3.45Å; A103-N451 PolarHBondContact N-O 3.26Å; A103-T473 HydrophobicContact CB-CG2 3.85Å |
| 104 | C | 90.2 | Very high | 81.2 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.081 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.9 | -44.9 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 111.5 | I98 L101 F102 R107 S108 R472 | I98-C104 PolarHBondContact O-SG 3.02Å; L101-C104 PolarHBondContact O-N 3.19Å; L101-C104 VanDerWaalsContact O-N 3.13Å; F102-C104 PolarHBondContact O-N 2.89Å; F102-C104 VanDerWaalsContact O-N 3.11Å; C104-R107 PolarHBondContact O-N 3.45Å; C104-S108 PolarHBondContact O-N 2.81Å; C104-S108 PolarHBondContact O-OG 3.15Å; C104-R472 WeakPolarHBondContact CA-O 3.37Å |
| 105 | K | 89.9 | Confident | 80.3 | Confident | 107 Ų | 107 | 46.6 Ų | 46.6 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177 | -66.6 | -171 | 176.6 | -173.7 | 0 | 112.5 | F102 S109 | F102-K105 HydrophobicContact CD2-CB 4.5Å; F102-K105 PolarHBondContact O-N 2.94Å; K105-S109 VanDerWaalsContact O-CB 3.22Å; K105-S109 WeakPolarHBondContact O-CB 3.27Å; K105-S109 PolarHBondContact O-N 3.31Å |
| 106 | F | 88 | Confident | 79.6 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 174.1 | 178.7 | -121.7 | 0 | 0 | 0 | 111 | L9 P10 F102 S109 L110 L452 F453 C474 | L9-F106 HydrophobicContact CB-CD2 4.34Å; L9-F106 HydrophobicContact CB-CE2 4.47Å; L9-F106 HydrophobicContact CD1-CD2 4.43Å; L9-F106 HydrophobicContact CD1-CE2 4.49Å; L9-F106 HydrophobicContact CD2-CE2 3.97Å; P10-F106 HydrophobicContact CB-CD2 4.27Å; P10-F106 HydrophobicContact CG-CE2 4.35Å; F102-F106 HydrophobicContact CD1-CB 4.09Å; F102-F106 HydrophobicContact CE1-CB 3.65Å; F102-F106 HydrophobicContact CE1-CD2 4.2Å; F102-F106 HydrophobicContact CE1-CG 4.16Å; F102-F106 HydrophobicContact CZ-CB 4.17Å; F102-F106 WeakPolarHBondContact O-CB 3.13Å; F102-F106 PolarHBondContact O-N 2.71Å; F106-S109 PolarHBondContact O-N 3.05Å; F106-L110 HydrophobicContact CD1-CD1 3.95Å; F106-L110 HydrophobicContact CD2-CD1 4.12Å; F106-L110 HydrophobicContact CE1-CD1 3.69Å; F106-L110 HydrophobicContact CE2-CD1 3.85Å; F106-L110 HydrophobicContact CE2-CG 4.35Å; F106-L110 HydrophobicContact CG-CD1 4.17Å; F106-L110 HydrophobicContact CZ-CD1 3.64Å; F106-L110 VanDerWaalsContact O-CG 3.29Å; F106-L110 WeakPolarHBondContact O-CG 3.47Å; F106-L110 PolarHBondContact O-N 3.35Å; F106-L452 HydrophobicContact CB-CD1 4.26Å; F106-L452 HydrophobicContact CD1-CD1 3.64Å; F106-L452 HydrophobicContact CD1-CG 4.34Å; F106-L452 HydrophobicContact CD2-CD1 3.94Å; F106-L452 HydrophobicContact CE1-CD1 3.84Å; F106-L452 HydrophobicContact CE1-CG 4.24Å; F106-L452 HydrophobicContact CE2-CD1 4.14Å; F106-L452 HydrophobicContact CG-CD1 3.69Å; F106-L452 HydrophobicContact CZ-CD1 4.08Å; F106-F453 HydrophobicContact CE1-CE1 4.19Å; F106-C474 HydrophobicContact CD1-CB 4.3Å; F106-C474 HydrophobicContact CE1-CB 4.12Å |
| 107 | R | 85.1 | Confident | 78.4 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.8 | -57 | 177.1 | 170.5 | 59 | -178.8 | -129.3 | 14.8 | 112.6 | A103 C104 S109 L110 E111 I129 R472 T473 | A103-R107 VanDerWaalsContact O-CB 3.29Å; A103-R107 WeakPolarHBondContact O-CB 3.47Å; A103-R107 PolarHBondContact O-N 3.34Å; A103-R107 VanDerWaalsContact O-N 3.16Å; C104-R107 PolarHBondContact O-N 3.45Å; R107-S109 VanDerWaalsContact C-N 3.27Å; R107-S109 PolarHBondContact O-N 2.71Å; R107-L110 WeakPolarHBondContact O-CB 3.27Å; R107-L110 PolarHBondContact O-N 3.23Å; R107-L110 VanDerWaalsContact O-N 3.11Å; R107-E111 IonicContact CZ-OE1 3.79Å; R107-E111 IonicContact NE-OE1 2.8Å; R107-E111 PolarHBondContact NE-OE1 2.94Å; R107-E111 IonicContact NE-OE2 2.71Å; R107-E111 PolarHBondContact NE-OE2 3.14Å; R107-E111 IonicContact NH2-OE1 2.8Å; R107-E111 PolarHBondContact NH2-OE1 2.73Å; R107-E111 PolarHBondContact O-N 3.16Å; R107-I129 PolarHBondContact NH1-O 3.03Å; R107-I129 PolarHBondContact NH2-O 3.08Å; R107-R472 WeakPolarHBondContact CG-O 3.36Å; R107-T473 WeakPolarHBondContact CD-O 3.43Å; R107-T473 PolarHBondContact NH1-O 3.09Å |
| 108 | S | 86.4 | Confident | 76.8 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.1 | -29.8 | -177.5 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | C104 A112 | C104-S108 PolarHBondContact O-N 2.81Å; C104-S108 PolarHBondContact O-OG 3.15Å; S108-A112 WeakPolarHBondContact O-CB 3.37Å; S108-A112 PolarHBondContact O-N 3.31Å |
| 109 | S | 84.7 | Confident | 75.1 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.1 | -37 | 172.6 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | G11 K105 F106 R107 N113 | G11-S109 VanDerWaalsContact N-CB 3.29Å; G11-S109 PolarHBondContact N-OG 3.43Å; K105-S109 VanDerWaalsContact O-CB 3.22Å; K105-S109 WeakPolarHBondContact O-CB 3.27Å; K105-S109 PolarHBondContact O-N 3.31Å; F106-S109 PolarHBondContact O-N 3.05Å; R107-S109 VanDerWaalsContact C-N 3.27Å; R107-S109 PolarHBondContact O-N 2.71Å; S109-N113 PolarHBondContact O-N 3.29Å; S109-N113 PolarHBondContact O-ND2 3.01Å |
| 110 | L | 77.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 171.4 | -73.8 | 162.4 | 0 | 0 | 0 | 111.1 | P10 F106 R107 A112 N113 I114 L127 I129 C474 F1022 | P10-L110 HydrophobicContact CB-CD2 4.22Å; P10-L110 HydrophobicContact CB-CG 4.11Å; P10-L110 HydrophobicContact CG-CD2 3.85Å; P10-L110 HydrophobicContact CG-CG 4.27Å; F106-L110 HydrophobicContact CD1-CD1 3.95Å; F106-L110 HydrophobicContact CD2-CD1 4.12Å; F106-L110 HydrophobicContact CE1-CD1 3.69Å; F106-L110 HydrophobicContact CE2-CD1 3.85Å; F106-L110 HydrophobicContact CE2-CG 4.35Å; F106-L110 HydrophobicContact CG-CD1 4.17Å; F106-L110 HydrophobicContact CZ-CD1 3.64Å; F106-L110 VanDerWaalsContact O-CG 3.29Å; F106-L110 WeakPolarHBondContact O-CG 3.47Å; F106-L110 PolarHBondContact O-N 3.35Å; R107-L110 WeakPolarHBondContact O-CB 3.27Å; R107-L110 PolarHBondContact O-N 3.23Å; R107-L110 VanDerWaalsContact O-N 3.11Å; L110-A112 VanDerWaalsContact C-N 3.31Å; L110-A112 PolarHBondContact O-N 3.43Å; L110-N113 PolarHBondContact O-N 3.4Å; L110-N113 VanDerWaalsContact O-N 3.08Å; L110-I114 HydrophobicContact CB-CD1 4.15Å; L110-I114 WeakPolarHBondContact O-CD1 3.46Å; L110-I114 VanDerWaalsContact O-CG1 3.23Å; L110-I114 WeakPolarHBondContact O-CG1 3.19Å; L110-I114 PolarHBondContact O-N 3.29Å; L110-L127 HydrophobicContact CD1-CD1 3.74Å; L110-L127 HydrophobicContact CD2-CD1 3.89Å; L110-L127 HydrophobicContact CG-CD1 4.47Å; L110-I129 HydrophobicContact CB-CD1 3.98Å; L110-I129 HydrophobicContact CD1-CD1 4.18Å; L110-C474 VanDerWaalsContact CD1-SG 3.57Å; L110-F1022 HydrophobicContact CD2-CZ 3.87Å |
| 111 | E | 77.3 | Confident | 72.1 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 179 | -71 | 173.5 | 138.2 | 0 | 0 | 113.2 | R107 N113 P115 I129 | R107-E111 IonicContact CZ-OE1 3.79Å; R107-E111 IonicContact NE-OE1 2.8Å; R107-E111 PolarHBondContact NE-OE1 2.94Å; R107-E111 IonicContact NE-OE2 2.71Å; R107-E111 PolarHBondContact NE-OE2 3.14Å; R107-E111 IonicContact NH2-OE1 2.8Å; R107-E111 PolarHBondContact NH2-OE1 2.73Å; R107-E111 PolarHBondContact O-N 3.16Å; E111-N113 VanDerWaalsContact C-N 3.31Å; E111-N113 PolarHBondContact O-N 3.47Å; E111-P115 WeakPolarHBondContact O-CD 3.46Å; E111-P115 WeakPolarHBondContact O-CG 3.44Å; E111-I129 HydrophobicContact CG-CG2 4.05Å |
| 112 | A | 79.3 | Confident | 70.4 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.8 | -28.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S108 L110 | S108-A112 WeakPolarHBondContact O-CB 3.37Å; S108-A112 PolarHBondContact O-N 3.31Å; L110-A112 VanDerWaalsContact C-N 3.31Å; L110-A112 PolarHBondContact O-N 3.43Å |
| 113 | N | 70.1 | Confident | 68.5 | Low | 76 Ų | 76 | 54.2 Ų | 54.2 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -96.8 | -26.1 | -174.5 | -76 | -70.4 | 0 | 0 | 0 | 114.2 | S109 L110 E111 H117 F1022 | S109-N113 PolarHBondContact O-N 3.29Å; S109-N113 PolarHBondContact O-ND2 3.01Å; L110-N113 PolarHBondContact O-N 3.4Å; L110-N113 VanDerWaalsContact O-N 3.08Å; E111-N113 VanDerWaalsContact C-N 3.31Å; E111-N113 PolarHBondContact O-N 3.47Å; N113-H117 WeakPolarHBondContact O-CB 3.43Å; N113-F1022 HydrophobicContact CB-CE2 4.3Å |
| 114 | I | 64.8 | Low | 66.8 | Low | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -68.4 | -46.1 | -174.6 | -72 | 161.2 | 0 | 0 | 0 | 114.6 | L110 N116 H117 L120 C124 I129 | L110-I114 HydrophobicContact CB-CD1 4.15Å; L110-I114 WeakPolarHBondContact O-CD1 3.46Å; L110-I114 VanDerWaalsContact O-CG1 3.23Å; L110-I114 WeakPolarHBondContact O-CG1 3.19Å; L110-I114 PolarHBondContact O-N 3.29Å; I114-N116 PolarHBondContact O-N 3Å; I114-H117 PolarHBondContact O-N 3.02Å; I114-H117 VanDerWaalsContact O-N 3.13Å; I114-L120 HydrophobicContact CG1-CB 4Å; I114-L120 HydrophobicContact CG1-CD1 4.37Å; I114-C124 HydrophobicContact CD1-CB 4.42Å; I114-C124 HydrophobicContact CG2-CB 4.01Å; I114-I129 HydrophobicContact CD1-CD1 3.33Å |
| 115 | P | 57.8 | Low | 65.1 | Low | 95 Ų | 95 | 60.1 Ų | 60.1 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.3 | -170.3 | -29.1 | 36.1 | 0 | 0 | 0 | 115.3 | E111 | E111-P115 WeakPolarHBondContact O-CD 3.46Å; E111-P115 WeakPolarHBondContact O-CG 3.44Å |
| 116 | N | 52.8 | Low | 63.3 | Low | 150 Ų | 150 | 57.2 Ų | 57.2 | 80% | 0.802 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -7.6 | -176.2 | -62.5 | -26.1 | 0 | 0 | 0 | 113.5 | I114 | I114-N116 PolarHBondContact O-N 3Š|
| 117 | H | 50 | Low | 61.8 | Low | 28 Ų | 28 | 57.5 Ų | 57.5 | 13% | 0.13 | 33% | 0.328 | C | S | . | . | trans | -104.3 | 112 | -169 | -169.1 | -12.3 | 0 | 0 | 0 | 111.3 | N113 I114 F119 L120 D1019 | N113-H117 WeakPolarHBondContact O-CB 3.43Å; I114-H117 PolarHBondContact O-N 3.02Å; I114-H117 VanDerWaalsContact O-N 3.13Å; H117-F119 PolarHBondContact O-N 3.03Å; H117-L120 HydrophobicContact CB-CB 4.11Å; H117-L120 HydrophobicContact CB-CD1 3.99Å; H117-L120 HydrophobicContact CB-CG 4Å; H117-L120 WeakPolarHBondContact CD2-CD1 3.32Å; H117-L120 WeakPolarHBondContact CD2-CG 3.16Å; H117-L120 PolarHBondContact O-N 3.44Å; H117-D1019 IonicContact CE1-OD1 3.19Å; H117-D1019 PolarHBondContact CE1-OD1 2.89Å; H117-D1019 IonicContact NE2-OD1 3.95Å | ||
| 118 | P | 47.3 | Very low | 60.6 | Low | 97 Ų | 97 | 59.1 Ų | 59.1 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.4 | -165.3 | 21.9 | -34.5 | 0 | 0 | 0 | 115.5 | ||
| 119 | F | 45.1 | Very low | 59 | Low | 107 Ų | 107 | 55.9 Ų | 55.9 | 47% | 0.469 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -20.4 | 178.6 | -56.5 | -69.1 | 0 | 0 | 0 | 113.2 | H117 S122 | H117-F119 PolarHBondContact O-N 3.03Å; F119-S122 PolarHBondContact O-N 2.87Å; F119-S122 PolarHBondContact O-OG 3.18Å |
| 120 | L | 51.7 | Low | 57.2 | Low | 13 Ų | 13 | 60.4 Ų | 60.4 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.6 | -174.5 | -61.9 | -172.8 | 0 | 0 | 0 | 115.2 | I114 H117 S122 A123 C124 F1022 | I114-L120 HydrophobicContact CG1-CB 4Å; I114-L120 HydrophobicContact CG1-CD1 4.37Å; H117-L120 HydrophobicContact CB-CB 4.11Å; H117-L120 HydrophobicContact CB-CD1 3.99Å; H117-L120 HydrophobicContact CB-CG 4Å; H117-L120 WeakPolarHBondContact CD2-CD1 3.32Å; H117-L120 WeakPolarHBondContact CD2-CG 3.16Å; H117-L120 PolarHBondContact O-N 3.44Å; L120-S122 PolarHBondContact O-N 3.19Å; L120-A123 HydrophobicContact CB-CB 4.02Å; L120-A123 HydrophobicContact CD2-CB 3.72Å; L120-A123 HydrophobicContact CG-CB 4.42Å; L120-A123 WeakPolarHBondContact O-CA 3.44Å; L120-A123 WeakPolarHBondContact O-CB 3.49Å; L120-A123 PolarHBondContact O-N 3.36Å; L120-C124 PolarHBondContact O-N 2.92Å; L120-F1022 HydrophobicContact CD1-CD1 3.92Å; L120-F1022 HydrophobicContact CD1-CD2 4.35Å; L120-F1022 HydrophobicContact CD1-CE1 3.45Å; L120-F1022 VanDerWaalsContact CD1-CE1 3.45Å; L120-F1022 HydrophobicContact CD1-CE2 3.91Å; L120-F1022 HydrophobicContact CD1-CG 4.36Å; L120-F1022 HydrophobicContact CD1-CZ 3.44Å; L120-F1022 VanDerWaalsContact CD1-CZ 3.44Å; L120-F1022 HydrophobicContact CD2-CD1 3.9Å; L120-F1022 HydrophobicContact CD2-CE1 3.51Å; L120-F1022 HydrophobicContact CD2-CZ 4.29Å; L120-F1022 HydrophobicContact CG-CE1 4.15Å |
| 121 | L | 49.4 | Very low | 55.7 | Low | 118 Ų | 118 | 62 Ų | 62 | 62% | 0.618 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -54.5 | -35.8 | 160.8 | -77.8 | 106.4 | 0 | 0 | 0 | 110.9 | C124 E125 | L121-C124 VanDerWaalsContact O-CB 3.31Å; L121-C124 WeakPolarHBondContact O-CB 3.23Å; L121-C124 PolarHBondContact O-N 3.07Å; L121-E125 PolarHBondContact O-N 3.33Å |
| 122 | S | 50.5 | Low | 54 | Low | 57 Ų | 57 | 65 Ų | 65 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 171.6 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | F119 L120 C124 E125 L126 | F119-S122 PolarHBondContact O-N 2.87Å; F119-S122 PolarHBondContact O-OG 3.18Å; L120-S122 PolarHBondContact O-N 3.19Å; S122-C124 PolarHBondContact O-N 3.04Å; S122-E125 PolarHBondContact O-N 3.13Å; S122-E125 VanDerWaalsContact O-N 3.11Å; S122-L126 WeakPolarHBondContact O-CB 3.35Å; S122-L126 PolarHBondContact O-N 3.4Å |
| 123 | A | 51.5 | Low | 52.5 | Low | 6 Ų | 6 | 64.7 Ų | 64.7 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -29.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L120 L126 L127 | L120-A123 HydrophobicContact CB-CB 4.02Å; L120-A123 HydrophobicContact CD2-CB 3.72Å; L120-A123 HydrophobicContact CG-CB 4.42Å; L120-A123 WeakPolarHBondContact O-CA 3.44Å; L120-A123 WeakPolarHBondContact O-CB 3.49Å; L120-A123 PolarHBondContact O-N 3.36Å; A123-L126 VanDerWaalsContact O-CB 3.32Å; A123-L126 WeakPolarHBondContact O-CB 3.28Å; A123-L126 PolarHBondContact O-N 3.08Å; A123-L127 WeakPolarHBondContact O-CB 3.32Å; A123-L127 PolarHBondContact O-N 3.24Å |
| 124 | C | 54.1 | Low | 51.3 | Low | 19 Ų | 19 | 68.2 Ų | 68.2 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 173.9 | -146.4 | 0 | 0 | 0 | 0 | 112.2 | I114 L120 L121 S122 L126 Q128 I129 | I114-C124 HydrophobicContact CD1-CB 4.42Å; I114-C124 HydrophobicContact CG2-CB 4.01Å; L120-C124 PolarHBondContact O-N 2.92Å; L121-C124 VanDerWaalsContact O-CB 3.31Å; L121-C124 WeakPolarHBondContact O-CB 3.23Å; L121-C124 PolarHBondContact O-N 3.07Å; S122-C124 PolarHBondContact O-N 3.04Å; C124-L126 VanDerWaalsContact C-N 3.3Å; C124-Q128 PolarHBondContact O-N 3.09Å; C124-I129 PolarHBondContact O-N 3.42Å; C124-I129 VanDerWaalsContact O-N 3.15Å |
| 125 | E | 53.7 | Low | 50.4 | Low | 116 Ų | 116 | 69.3 Ų | 69.3 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.2 | -28.6 | 169.9 | -55.1 | -171 | -178.4 | 0 | 0 | 112.7 | L121 S122 K483 Y484 | L121-E125 PolarHBondContact O-N 3.33Å; S122-E125 PolarHBondContact O-N 3.13Å; S122-E125 VanDerWaalsContact O-N 3.11Å; E125-K483 IonicContact OE2-NZ 3.4Å; E125-K483 PolarHBondContact OE2-NZ 2.93Å; E125-Y484 WeakPolarHBondContact CB-OH 3.27Å; E125-Y484 WeakPolarHBondContact O-CE2 3.33Å; E125-Y484 PolarHBondContact O-OH 2.61Å |
| 126 | L | 51.7 | Low | 50.2 | Low | 46 Ų | 46 | 68.7 Ų | 68.7 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.2 | -47.6 | -175.2 | -137.8 | 164.2 | 0 | 0 | 0 | 111.4 | S122 A123 C124 G478 Y484 | S122-L126 WeakPolarHBondContact O-CB 3.35Å; S122-L126 PolarHBondContact O-N 3.4Å; A123-L126 VanDerWaalsContact O-CB 3.32Å; A123-L126 WeakPolarHBondContact O-CB 3.28Å; A123-L126 PolarHBondContact O-N 3.08Å; C124-L126 VanDerWaalsContact C-N 3.3Å; L126-G478 CarbonylContact O-C 3.54Å; L126-G478 VanDerWaalsContact O-C 3.25Å; L126-G478 WeakPolarHBondContact O-CA 3.07Å; L126-Y484 HydrophobicContact CB-CD2 4.36Å; L126-Y484 HydrophobicContact CB-CE2 4.43Å; L126-Y484 HydrophobicContact CB-CG 4.45Å; L126-Y484 HydrophobicContact CD1-CG 4.47Å; L126-Y484 HydrophobicContact CD2-CD2 3.85Å; L126-Y484 HydrophobicContact CD2-CG 3.8Å; L126-Y484 HydrophobicContact CG-CD1 3.86Å; L126-Y484 HydrophobicContact CG-CD2 3.79Å; L126-Y484 HydrophobicContact CG-CE1 4.35Å; L126-Y484 HydrophobicContact CG-CE2 4.32Å; L126-Y484 HydrophobicContact CG-CG 3.54Å |
| 127 | L | 56.5 | Low | 50.8 | Low | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 7.6 | -176.5 | -63.7 | 172.8 | 0 | 0 | 0 | 113 | L110 A123 I129 | L110-L127 HydrophobicContact CD1-CD1 3.74Å; L110-L127 HydrophobicContact CD2-CD1 3.89Å; L110-L127 HydrophobicContact CG-CD1 4.47Å; A123-L127 WeakPolarHBondContact O-CB 3.32Å; A123-L127 PolarHBondContact O-N 3.24Å; L127-I129 HydrophobicContact CB-CD1 3.8Å; L127-I129 HydrophobicContact CB-CG1 3.75Å; L127-I129 HydrophobicContact CD1-CD1 4.15Å; L127-I129 PolarHBondContact O-N 3.03Å |
| 128 | Q | 61.2 | Low | 51.8 | Low | 48 Ų | 48 | 64.2 Ų | 64.2 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 39.4 | 179.6 | -62.8 | 177.7 | 18.2 | 0 | 0 | 112.4 | C124 D131 W477 | C124-Q128 PolarHBondContact O-N 3.09Å; Q128-D131 WeakPolarHBondContact CB-OD2 3.3Å; Q128-D131 PolarHBondContact O-N 3.44Å; Q128-W477 PolarHBondContact NE2-O 3.08Å |
| 129 | I | 52.3 | Low | 53.3 | Low | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -48.3 | -166.4 | -75.7 | 169.9 | 0 | 0 | 0 | 111 | R107 L110 E111 I114 C124 L127 D131 | R107-I129 PolarHBondContact NH1-O 3.03Å; R107-I129 PolarHBondContact NH2-O 3.08Å; L110-I129 HydrophobicContact CB-CD1 3.98Å; L110-I129 HydrophobicContact CD1-CD1 4.18Å; E111-I129 HydrophobicContact CG-CG2 4.05Å; I114-I129 HydrophobicContact CD1-CD1 3.33Å; C124-I129 PolarHBondContact O-N 3.42Å; C124-I129 VanDerWaalsContact O-N 3.15Å; L127-I129 HydrophobicContact CB-CD1 3.8Å; L127-I129 HydrophobicContact CB-CG1 3.75Å; L127-I129 HydrophobicContact CD1-CD1 4.15Å; L127-I129 PolarHBondContact O-N 3.03Å; I129-D131 PolarHBondContact O-N 3.4Å |
| 130 | N | 46.7 | Very low | 55.3 | Low | 122 Ų | 122 | 57.7 Ų | 57.7 | 65% | 0.652 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 16.1 | -176.1 | -66.7 | -14 | 0 | 0 | 0 | 114.5 | V132 | N130-V132 PolarHBondContact O-N 3.14Å; N130-V132 VanDerWaalsContact O-N 3.14Å |
| 131 | D | 46.9 | Very low | 57.1 | Low | 35 Ų | 35 | 57.3 Ų | 57.3 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | trans | -84.5 | 92.6 | -178.6 | -77.6 | -38.8 | 0 | 0 | 0 | 113 | Q128 I129 D133 R134 | Q128-D131 WeakPolarHBondContact CB-OD2 3.3Å; Q128-D131 PolarHBondContact O-N 3.44Å; I129-D131 PolarHBondContact O-N 3.4Å; D131-D133 PolarHBondContact O-N 2.88Å; D131-R134 HydrophobicContact CB-CB 4.13Å; D131-R134 HydrophobicContact CB-CG 3.84Å; D131-R134 VanDerWaalsContact CG-CD 3.46Å; D131-R134 IonicContact OD1-CZ 3.64Å; D131-R134 IonicContact OD1-NE 3.18Å; D131-R134 PolarHBondContact OD1-NE 2.68Å; D131-R134 IonicContact OD1-NH2 3.99Å; D131-R134 PolarHBondContact OD1-NH2 2.97Å; D131-R134 WeakPolarHBondContact OD2-CD 3.27Å; D131-R134 IonicContact OD2-CZ 3.8Å; D131-R134 IonicContact OD2-NE 3.56Å; D131-R134 PolarHBondContact OD2-NE 3.26Å; D131-R134 VanDerWaalsContact OD2-NE 3.14Å; D131-R134 IonicContact OD2-NH1 3.99Å; D131-R134 PolarHBondContact OD2-NH1 3.06Å; D131-R134 IonicContact OD2-NH2 3.48Å; D131-R134 PolarHBondContact OD2-NH2 3.12Å | ||
| 132 | V | 41.6 | Very low | 59.1 | Low | 135 Ų | 135 | 53.1 Ų | 53.1 | 82% | 0.818 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 101.8 | 160 | -176.9 | 0 | 0 | 0 | 0 | 109 | N130 R134 | N130-V132 PolarHBondContact O-N 3.14Å; N130-V132 VanDerWaalsContact O-N 3.14Å; V132-R134 PolarHBondContact O-N 2.99Å |
| 133 | D | 47.1 | Very low | 61.1 | Low | 67 Ų | 67 | 53.9 Ų | 53.9 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 56.3 | 165.9 | -134.5 | -11.3 | 0 | 0 | 0 | 113.7 | D131 T135 L136 | D131-D133 PolarHBondContact O-N 2.88Å; D133-T135 CarbonylContact O-C 3.51Å; D133-T135 PolarHBondContact O-N 3.1Å; D133-T135 PolarHBondContact OD1-OG1 2.95Å; D133-L136 PolarHBondContact O-N 3.18Å |
| 134 | R | 44.9 | Very low | 63.2 | Low | 150 Ų | 150 | 53.6 Ų | 53.6 | 57% | 0.566 | 28% | 0.284 | S | S | * | . | trans | -68.5 | 4.4 | 176.6 | -95.1 | -157.4 | -161 | 163.6 | 25.5 | 115.1 | D131 V132 L136 | D131-R134 HydrophobicContact CB-CB 4.13Å; D131-R134 HydrophobicContact CB-CG 3.84Å; D131-R134 VanDerWaalsContact CG-CD 3.46Å; D131-R134 IonicContact OD1-CZ 3.64Å; D131-R134 IonicContact OD1-NE 3.18Å; D131-R134 PolarHBondContact OD1-NE 2.68Å; D131-R134 IonicContact OD1-NH2 3.99Å; D131-R134 PolarHBondContact OD1-NH2 2.97Å; D131-R134 WeakPolarHBondContact OD2-CD 3.27Å; D131-R134 IonicContact OD2-CZ 3.8Å; D131-R134 IonicContact OD2-NE 3.56Å; D131-R134 PolarHBondContact OD2-NE 3.26Å; D131-R134 VanDerWaalsContact OD2-NE 3.14Å; D131-R134 IonicContact OD2-NH1 3.99Å; D131-R134 PolarHBondContact OD2-NH1 3.06Å; D131-R134 IonicContact OD2-NH2 3.48Å; D131-R134 PolarHBondContact OD2-NH2 3.12Å; V132-R134 PolarHBondContact O-N 2.99Å; R134-L136 HydrophobicContact CB-CD1 4.14Å; R134-L136 HydrophobicContact CG-CD1 3.89Å; R134-L136 WeakPolarHBondContact O-CB 3.46Å; R134-L136 WeakPolarHBondContact O-CD1 3.5Å; R134-L136 PolarHBondContact O-N 3.06Å | ||
| 135 | T | 45.8 | Very low | 65.2 | Low | 34 Ų | 34 | 54.3 Ų | 54.3 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | trans | -75.6 | 60.5 | 139.7 | 31.8 | 0 | 0 | 0 | 0 | 109.3 | D133 D137 | D133-T135 CarbonylContact O-C 3.51Å; D133-T135 PolarHBondContact O-N 3.1Å; D133-T135 PolarHBondContact OD1-OG1 2.95Å; T135-D137 PolarHBondContact O-N 2.81Å | ||
| 136 | L | 53.2 | Low | 67.2 | Low | 83 Ų | 83 | 57.6 Ų | 57.6 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | 14.6 | 35.9 | 93.5 | -82.6 | 77.2 | 0 | 0 | 0 | 115.9 | D133 R134 T138 A139 L140 | D133-L136 PolarHBondContact O-N 3.18Å; R134-L136 HydrophobicContact CB-CD1 4.14Å; R134-L136 HydrophobicContact CG-CD1 3.89Å; R134-L136 WeakPolarHBondContact O-CB 3.46Å; R134-L136 WeakPolarHBondContact O-CD1 3.5Å; R134-L136 PolarHBondContact O-N 3.06Å; L136-T138 VanDerWaalsContact C-N 3.34Å; L136-T138 PolarHBondContact O-N 3.11Å; L136-A139 HydrophobicContact CB-CB 3.89Å; L136-A139 HydrophobicContact CD2-CB 3.73Å; L136-A139 HydrophobicContact CG-CB 3.7Å; L136-A139 CarbonylContact O-C 3.59Å; L136-A139 PolarHBondContact O-N 2.84Å; L136-L140 HydrophobicContact CB-CG 4.02Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 2.91Å | |||
| 137 | D | 65 | Low | 69.3 | Low | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.4 | -50.2 | -179.5 | -67.5 | -26 | 0 | 0 | 0 | 111.7 | T135 A139 V141 R171 Q391 Q465 | T135-D137 PolarHBondContact O-N 2.81Å; D137-A139 PolarHBondContact O-N 3.12Å; D137-V141 WeakPolarHBondContact O-CG1 3.47Å; D137-V141 PolarHBondContact O-N 3.22Å; D137-R171 WeakPolarHBondContact OD2-CD 3.46Å; D137-R171 IonicContact OD2-NE 2.72Å; D137-Q391 PolarHBondContact OD1-NE2 3.48Å; D137-Q465 PolarHBondContact OD2-NE2 2.93Å |
| 138 | T | 71.9 | Confident | 71.2 | Confident | 72 Ų | 72 | 57 Ų | 57 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 173.5 | -42.7 | 0 | 0 | 0 | 0 | 112.6 | L136 V141 C142 H172 | L136-T138 VanDerWaalsContact C-N 3.34Å; L136-T138 PolarHBondContact O-N 3.11Å; T138-V141 VanDerWaalsContact O-CG1 3.23Å; T138-V141 WeakPolarHBondContact O-CG1 3.38Å; T138-C142 VanDerWaalsContact O-CB 3.26Å; T138-C142 WeakPolarHBondContact O-CB 3.36Å; T138-C142 PolarHBondContact O-N 3.3Å; T138-C142 PolarHBondContact O-SG 3.15Å; T138-H172 PolarHBondContact OG1-CE1 3.48Å; T138-H172 PolarHBondContact OG1-NE2 3.35Å |
| 139 | A | 79.6 | Confident | 72.9 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -91.1 | -25.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | L136 D137 F143 | L136-A139 HydrophobicContact CB-CB 3.89Å; L136-A139 HydrophobicContact CD2-CB 3.73Å; L136-A139 HydrophobicContact CG-CB 3.7Å; L136-A139 CarbonylContact O-C 3.59Å; L136-A139 PolarHBondContact O-N 2.84Å; D137-A139 PolarHBondContact O-N 3.12Å; A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.29Å |
| 140 | L | 85.8 | Confident | 75 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 164.3 | -73.9 | 172.5 | 0 | 0 | 0 | 109.6 | L136 C142 F143 E144 I383 | L136-L140 HydrophobicContact CB-CG 4.02Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 2.91Å; L140-C142 PolarHBondContact O-N 3.34Å; L140-F143 PolarHBondContact O-N 3.35Å; L140-E144 WeakPolarHBondContact O-CB 3.49Å; L140-E144 WeakPolarHBondContact O-CG 3.36Å; L140-E144 PolarHBondContact O-N 3.27Å; L140-I383 HydrophobicContact CD2-CD1 4.4Å; L140-I383 HydrophobicContact CD2-CG1 4.02Å |
| 141 | V | 90.2 | Very high | 77.2 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 176.4 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | D137 T138 F145 I156 H172 I174 | D137-V141 WeakPolarHBondContact O-CG1 3.47Å; D137-V141 PolarHBondContact O-N 3.22Å; T138-V141 VanDerWaalsContact O-CG1 3.23Å; T138-V141 WeakPolarHBondContact O-CG1 3.38Å; V141-F145 WeakPolarHBondContact O-CB 3.44Å; V141-F145 PolarHBondContact O-N 2.97Å; V141-I156 HydrophobicContact CG1-CD1 4.19Å; V141-I156 HydrophobicContact CG1-CG2 4.16Å; V141-I156 HydrophobicContact CG2-CD1 4.49Å; V141-I156 HydrophobicContact CG2-CG1 4.48Å; V141-H172 HydrophobicContact CG1-CB 3.73Å; V141-I174 HydrophobicContact CG2-CD1 3.94Å; V141-I174 HydrophobicContact CG2-CG1 3.75Å |
| 142 | C | 91.7 | Very high | 79.5 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 172.9 | -73 | 0 | 0 | 0 | 0 | 113.3 | T138 L140 R146 I156 | T138-C142 VanDerWaalsContact O-CB 3.26Å; T138-C142 WeakPolarHBondContact O-CB 3.36Å; T138-C142 PolarHBondContact O-N 3.3Å; T138-C142 PolarHBondContact O-SG 3.15Å; L140-C142 PolarHBondContact O-N 3.34Å; C142-R146 WeakPolarHBondContact O-CB 2.87Å; C142-R146 WeakPolarHBondContact O-CD 3.48Å; C142-R146 WeakPolarHBondContact O-CG 3.39Å; C142-R146 PolarHBondContact O-N 2.97Å; C142-I156 HydrophobicContact CB-CD1 4.5Å |
| 143 | F | 92.2 | Very high | 82.1 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 32% | 0.32 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -51.9 | 173.2 | 169.4 | -94.2 | 0 | 0 | 0 | 110.1 | A139 L140 F145 R146 R147 F374 I383 | A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.29Å; L140-F143 PolarHBondContact O-N 3.35Å; F143-F145 PolarHBondContact O-N 3.19Å; F143-R146 PolarHBondContact O-N 2.85Å; F143-R147 VanDerWaalsContact O-CB 3.27Å; F143-R147 WeakPolarHBondContact O-CB 3.37Å; F143-R147 PolarHBondContact O-N 3.36Å; F143-F374 AromaticContact CE1-CE1 3.87Å; F143-F374 HydrophobicContact CE1-CE1 3.87Å; F143-F374 HydrophobicContact CE1-CE2 4.35Å; F143-F374 AromaticContact CE1-CZ 3.5Å; F143-F374 HydrophobicContact CE1-CZ 3.5Å; F143-F374 HydrophobicContact CZ-CE1 4.42Å; F143-F374 HydrophobicContact CZ-CE2 4.08Å; F143-F374 AromaticContact CZ-CZ 3.66Å; F143-F374 HydrophobicContact CZ-CZ 3.66Å; F143-I383 HydrophobicContact CD1-CD1 4.26Å; F143-I383 HydrophobicContact CE1-CD1 3.94Å |
| 144 | E | 94.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 178.4 | -71.6 | -82.3 | 77.8 | 0 | 0 | 112.3 | L140 R146 R147 M148 Y375 I383 R387 | L140-E144 WeakPolarHBondContact O-CB 3.49Å; L140-E144 WeakPolarHBondContact O-CG 3.36Å; L140-E144 PolarHBondContact O-N 3.27Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.06Å; E144-R147 PolarHBondContact O-N 3.49Å; E144-R147 IonicContact OE1-CZ 3.67Å; E144-R147 IonicContact OE1-NE 3.78Å; E144-R147 PolarHBondContact OE1-NE 3.13Å; E144-R147 IonicContact OE1-NH2 2.76Å; E144-R147 PolarHBondContact OE1-NH2 3.33Å; E144-R147 IonicContact OE2-NH2 2.72Å; E144-M148 HydrophobicContact CB-CE 4.03Å; E144-M148 HydrophobicContact CG-CE 4.38Å; E144-M148 WeakPolarHBondContact O-CB 3.34Å; E144-M148 WeakPolarHBondContact O-CG 2.58Å; E144-M148 PolarHBondContact O-N 3.43Å; E144-M148 VanDerWaalsContact OE2-CE 3.26Å; E144-M148 WeakPolarHBondContact OE2-CE 3.23Å; E144-Y375 PolarHBondContact OE2-OH 2.74Å; E144-I383 HydrophobicContact CG-CG2 4.24Å; E144-R387 IonicContact OE2-CZ 3.14Å; E144-R387 IonicContact OE2-NH1 2.8Å; E144-R387 PolarHBondContact OE2-NH1 3.13Å |
| 145 | F | 96.1 | Very high | 87.1 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.5 | -174.2 | -80.8 | 0 | 0 | 0 | 112 | V141 F143 F150 W154 I156 I174 | V141-F145 WeakPolarHBondContact O-CB 3.44Å; V141-F145 PolarHBondContact O-N 2.97Å; F143-F145 PolarHBondContact O-N 3.19Å; F145-F150 HydrophobicContact CB-CD2 4.44Å; F145-F150 HydrophobicContact CD1-CB 3.93Å; F145-F150 HydrophobicContact CD2-CB 3.78Å; F145-F150 HydrophobicContact CD2-CD2 4.01Å; F145-F150 AromaticContact CD2-CG 3.89Å; F145-F150 HydrophobicContact CD2-CG 3.89Å; F145-F150 HydrophobicContact CE1-CB 3.65Å; F145-F150 HydrophobicContact CE2-CB 3.51Å; F145-F150 HydrophobicContact CE2-CD1 4.33Å; F145-F150 HydrophobicContact CE2-CD2 4.48Å; F145-F150 AromaticContact CE2-CG 3.9Å; F145-F150 HydrophobicContact CE2-CG 3.9Å; F145-F150 HydrophobicContact CG-CB 3.97Å; F145-F150 HydrophobicContact CG-CD2 4.21Å; F145-F150 HydrophobicContact CG-CG 4.33Å; F145-F150 HydrophobicContact CZ-CB 3.43Å; F145-F150 VanDerWaalsContact CZ-CB 3.43Å; F145-F150 HydrophobicContact CZ-CG 4.32Å; F145-F150 WeakPolarHBondContact O-CD2 3.34Å; F145-F150 PolarHBondContact O-N 3.26Å; F145-W154 HydrophobicContact CE2-CB 4Å; F145-W154 HydrophobicContact CZ-CB 4.18Å; F145-W154 WeakPolarHBondContact CZ-O 3.44Å; F145-I156 HydrophobicContact CB-CD1 3.93Å; F145-I156 HydrophobicContact CB-CG1 4.39Å; F145-I156 HydrophobicContact CD2-CD1 4.09Å; F145-I156 HydrophobicContact CD2-CG1 3.68Å; F145-I156 HydrophobicContact CE2-CG1 4.17Å; F145-I156 HydrophobicContact CG-CD1 3.96Å; F145-I156 HydrophobicContact CG-CG1 4.09Å; F145-I174 HydrophobicContact CB-CD1 4.41Å; F145-I174 HydrophobicContact CD2-CD1 4.07Å; F145-I174 HydrophobicContact CD2-CG1 4.17Å; F145-I174 HydrophobicContact CD2-CG2 4.08Å; F145-I174 HydrophobicContact CE2-CG2 4.15Å |
| 146 | R | 96.1 | Very high | 89.5 | Confident | 184 Ų | 184 | 52.5 Ų | 52.5 | 69% | 0.694 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.3 | -45.6 | 174 | -69.3 | 171.5 | -172.9 | 130.3 | -5 | 111.6 | C142 F143 E144 M148 N149 | C142-R146 WeakPolarHBondContact O-CB 2.87Å; C142-R146 WeakPolarHBondContact O-CD 3.48Å; C142-R146 WeakPolarHBondContact O-CG 3.39Å; C142-R146 PolarHBondContact O-N 2.97Å; F143-R146 PolarHBondContact O-N 2.85Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.06Å; R146-M148 VanDerWaalsContact C-N 3.34Å; R146-M148 PolarHBondContact O-N 3.04Å; R146-N149 PolarHBondContact O-N 3Å |
| 147 | R | 96.4 | Very high | 91.6 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | -176.8 | -171.3 | -173.2 | 68.7 | 80.9 | -5 | 112.4 | F143 E144 N149 Q204 D372 F374 Y375 | F143-R147 VanDerWaalsContact O-CB 3.27Å; F143-R147 WeakPolarHBondContact O-CB 3.37Å; F143-R147 PolarHBondContact O-N 3.36Å; E144-R147 PolarHBondContact O-N 3.49Å; E144-R147 IonicContact OE1-CZ 3.67Å; E144-R147 IonicContact OE1-NE 3.78Å; E144-R147 PolarHBondContact OE1-NE 3.13Å; E144-R147 IonicContact OE1-NH2 2.76Å; E144-R147 PolarHBondContact OE1-NH2 3.33Å; E144-R147 IonicContact OE2-NH2 2.72Å; R147-N149 PolarHBondContact O-N 3.1Å; R147-Q204 PolarHBondContact O-NE2 2.68Å; R147-Q204 PolarHBondContact O-OE1 3.37Å; R147-D372 IonicContact CZ-OD2 3.5Å; R147-D372 VanDerWaalsContact CZ-OD2 3.22Å; R147-D372 IonicContact NH1-OD1 3.63Å; R147-D372 PolarHBondContact NH1-OD1 2.9Å; R147-D372 VanDerWaalsContact NH1-OD1 3.15Å; R147-D372 IonicContact NH1-OD2 3.22Å; R147-D372 PolarHBondContact NH1-OD2 2.77Å; R147-D372 IonicContact NH2-OD2 2.77Å; R147-D372 PolarHBondContact NH2-OD2 2.78Å; R147-F374 VanDerWaalsContact NE-CD1 3.28Å; R147-F374 VanDerWaalsContact NH1-CB 3.3Å; R147-Y375 PolarHBondContact NH2-OH 3.21Å; R147-Y375 VanDerWaalsContact NH2-OH 3.15Å |
| 148 | M | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 6.6 | 178.3 | -59.1 | 172.2 | -165.1 | 0 | 0 | 113.7 | E144 R146 F150 W201 R202 Y375 | E144-M148 HydrophobicContact CB-CE 4.03Å; E144-M148 HydrophobicContact CG-CE 4.38Å; E144-M148 WeakPolarHBondContact O-CB 3.34Å; E144-M148 WeakPolarHBondContact O-CG 2.58Å; E144-M148 PolarHBondContact O-N 3.43Å; E144-M148 VanDerWaalsContact OE2-CE 3.26Å; E144-M148 WeakPolarHBondContact OE2-CE 3.23Å; R146-M148 VanDerWaalsContact C-N 3.34Å; R146-M148 PolarHBondContact O-N 3.04Å; M148-F150 HydrophobicContact CB-CD2 3.83Å; M148-F150 HydrophobicContact CB-CE2 3.73Å; M148-F150 HydrophobicContact CG-CE2 4.33Å; M148-F150 PolarHBondContact O-N 3.38Å; M148-F150 HydrophobicContact SD-CE2 3.64Å; M148-F150 HydrophobicContact SD-CZ 4.36Å; M148-W201 HydrophobicContact CE-CB 4.46Å; M148-W201 VanDerWaalsContact CE-CD1 3.45Å; M148-W201 HydrophobicContact CE-CG 4.22Å; M148-W201 HydrophobicContact SD-CB 4.4Å; M148-W201 HydrophobicContact SD-CG 4.2Å; M148-R202 HydrophobicContact CB-CB 4.22Å; M148-R202 PolarHBondContact O-NH1 3.33Å; M148-R202 VanDerWaalsContact O-NH1 3.11Å; M148-R202 PolarHBondContact SD-N 3.41Å; M148-Y375 WeakPolarHBondContact CE-OH 3.37Å |
| 149 | N | 96.2 | Very high | 94.1 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 49.2 | 178.4 | -167.1 | 16.8 | 0 | 0 | 0 | 113.1 | R146 R147 D151 R202 | R146-N149 PolarHBondContact O-N 3Å; R147-N149 PolarHBondContact O-N 3.1Å; N149-D151 PolarHBondContact O-N 3.37Å; N149-R202 VanDerWaalsContact O-CZ 3.29Å; N149-R202 PolarHBondContact O-NH1 2.77Å |
| 150 | F | 96.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | trans | -67.3 | 122.6 | 173.6 | -81 | -89.2 | 0 | 0 | 0 | 110.7 | F145 M148 W154 I174 V199 R202 V209 | F145-F150 HydrophobicContact CB-CD2 4.44Å; F145-F150 HydrophobicContact CD1-CB 3.93Å; F145-F150 HydrophobicContact CD2-CB 3.78Å; F145-F150 HydrophobicContact CD2-CD2 4.01Å; F145-F150 AromaticContact CD2-CG 3.89Å; F145-F150 HydrophobicContact CD2-CG 3.89Å; F145-F150 HydrophobicContact CE1-CB 3.65Å; F145-F150 HydrophobicContact CE2-CB 3.51Å; F145-F150 HydrophobicContact CE2-CD1 4.33Å; F145-F150 HydrophobicContact CE2-CD2 4.48Å; F145-F150 AromaticContact CE2-CG 3.9Å; F145-F150 HydrophobicContact CE2-CG 3.9Å; F145-F150 HydrophobicContact CG-CB 3.97Å; F145-F150 HydrophobicContact CG-CD2 4.21Å; F145-F150 HydrophobicContact CG-CG 4.33Å; F145-F150 HydrophobicContact CZ-CB 3.43Å; F145-F150 VanDerWaalsContact CZ-CB 3.43Å; F145-F150 HydrophobicContact CZ-CG 4.32Å; F145-F150 WeakPolarHBondContact O-CD2 3.34Å; F145-F150 PolarHBondContact O-N 3.26Å; M148-F150 HydrophobicContact CB-CD2 3.83Å; M148-F150 HydrophobicContact CB-CE2 3.73Å; M148-F150 HydrophobicContact CG-CE2 4.33Å; M148-F150 PolarHBondContact O-N 3.38Å; M148-F150 HydrophobicContact SD-CE2 3.64Å; M148-F150 HydrophobicContact SD-CZ 4.36Å; F150-W154 HydrophobicContact CB-CB 4.31Å; F150-W154 HydrophobicContact CD1-CB 3.78Å; F150-W154 AromaticContact CD1-CD1 3.86Å; F150-W154 AromaticContact CD1-CD2 3.98Å; F150-W154 HydrophobicContact CD1-CD2 3.98Å; F150-W154 AromaticContact CD1-CG 3.57Å; F150-W154 HydrophobicContact CD1-CG 3.57Å; F150-W154 HydrophobicContact CE1-CD2 4.18Å; F150-W154 HydrophobicContact CE1-CE3 4.46Å; F150-W154 HydrophobicContact CE1-CG 4.25Å; F150-W154 HydrophobicContact CG-CB 4.48Å; F150-I174 HydrophobicContact CD1-CG2 4.13Å; F150-I174 HydrophobicContact CE1-CG2 3.74Å; F150-I174 HydrophobicContact CE2-CD1 3.93Å; F150-I174 HydrophobicContact CZ-CD1 4.1Å; F150-I174 HydrophobicContact CZ-CG2 3.96Å; F150-V199 HydrophobicContact CE1-CG1 3.86Å; F150-V199 HydrophobicContact CZ-CG1 3.63Å; F150-R202 HydrophobicContact CD1-CB 4.39Å; F150-R202 HydrophobicContact CD2-CB 4.4Å; F150-R202 HydrophobicContact CE1-CB 3.73Å; F150-R202 HydrophobicContact CE1-CG 4.3Å; F150-R202 HydrophobicContact CE2-CB 3.78Å; F150-R202 HydrophobicContact CZ-CB 3.4Å; F150-R202 VanDerWaalsContact CZ-CB 3.4Å; F150-R202 HydrophobicContact CZ-CG 4.4Å; F150-V209 HydrophobicContact CE1-CG1 4.4Å | ||
| 151 | D | 93.5 | Very high | 95.3 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 31% | 0.305 | 25% | 0.25 | S | C | . | . | trans | -82.9 | 179.6 | -176.8 | 63.3 | 74.9 | 0 | 0 | 0 | 113.7 | N149 T153 W154 R202 | N149-D151 PolarHBondContact O-N 3.37Å; D151-T153 PolarHBondContact O-N 2.94Å; D151-T153 VanDerWaalsContact OD1-CB 3.29Å; D151-T153 WeakPolarHBondContact OD1-CB 3.24Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.45Å; D151-T153 PolarHBondContact OD1-N 2.89Å; D151-T153 PolarHBondContact OD1-OG1 3.3Å; D151-W154 PolarHBondContact O-N 2.94Å; D151-R202 IonicContact OD2-CZ 3.27Å; D151-R202 IonicContact OD2-NH2 2.7Å; D151-R202 PolarHBondContact OD2-NH2 3.16Å; D151-R202 VanDerWaalsContact OD2-NH2 3.07Å | ||
| 152 | K | 94.9 | Very high | 95.5 | Very high | 188 Ų | 188 | 57.8 Ų | 57.8 | 82% | 0.817 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -6 | -178 | 64.1 | -177.4 | 176.8 | -179.2 | 0 | 115.5 | R177 | K152-R177 VanDerWaalsContact C-NH1 3.33Å; K152-R177 PolarHBondContact O-NH1 3.27Å |
| 153 | T | 96.3 | Very high | 95.7 | Very high | 56 Ų | 56 | 57 Ų | 57 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.7 | 169.8 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | D151 R177 | D151-T153 PolarHBondContact O-N 2.94Å; D151-T153 VanDerWaalsContact OD1-CB 3.29Å; D151-T153 WeakPolarHBondContact OD1-CB 3.24Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.45Å; D151-T153 PolarHBondContact OD1-N 2.89Å; D151-T153 PolarHBondContact OD1-OG1 3.3Å; T153-R177 WeakPolarHBondContact O-CB 3.27Å; T153-R177 PolarHBondContact O-N 3.06Å |
| 154 | W | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.3 | -177 | -58.4 | 91.3 | 0 | 0 | 0 | 112.7 | F145 F150 D151 P176 R177 V199 V209 V235 C238 | F145-W154 HydrophobicContact CE2-CB 4Å; F145-W154 HydrophobicContact CZ-CB 4.18Å; F145-W154 WeakPolarHBondContact CZ-O 3.44Å; F150-W154 HydrophobicContact CB-CB 4.31Å; F150-W154 HydrophobicContact CD1-CB 3.78Å; F150-W154 AromaticContact CD1-CD1 3.86Å; F150-W154 AromaticContact CD1-CD2 3.98Å; F150-W154 HydrophobicContact CD1-CD2 3.98Å; F150-W154 AromaticContact CD1-CG 3.57Å; F150-W154 HydrophobicContact CD1-CG 3.57Å; F150-W154 HydrophobicContact CE1-CD2 4.18Å; F150-W154 HydrophobicContact CE1-CE3 4.46Å; F150-W154 HydrophobicContact CE1-CG 4.25Å; F150-W154 HydrophobicContact CG-CB 4.48Å; D151-W154 PolarHBondContact O-N 2.94Å; W154-P176 HydrophobicContact CE3-CG 4.25Å; W154-P176 HydrophobicContact CH2-CG 4.39Å; W154-P176 HydrophobicContact CZ3-CB 4.48Å; W154-P176 HydrophobicContact CZ3-CG 3.76Å; W154-R177 VanDerWaalsContact O-CZ 3.26Å; W154-R177 PolarHBondContact O-NH1 2.78Å; W154-R177 PolarHBondContact O-NH2 3.46Å; W154-R177 VanDerWaalsContact O-NH2 3.15Å; W154-V199 HydrophobicContact CE3-CG2 4.2Å; W154-V199 HydrophobicContact CH2-CG2 4.14Å; W154-V199 HydrophobicContact CZ3-CG2 3.53Å; W154-V209 HydrophobicContact CH2-CG1 3.96Å; W154-V209 HydrophobicContact CH2-CG2 3.95Å; W154-V209 HydrophobicContact CZ2-CG1 3.8Å; W154-V209 HydrophobicContact CZ2-CG2 4.46Å; W154-V235 HydrophobicContact CH2-CG1 4.41Å; W154-V235 HydrophobicContact CH2-CG2 4.41Å; W154-V235 HydrophobicContact CZ3-CG2 4.44Å; W154-C238 HydrophobicContact CH2-CB 3.91Å; W154-C238 HydrophobicContact CZ2-CB 3.37Å |
| 155 | K | 97.3 | Very high | 96 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 154.1 | 172.9 | 70.7 | 170.9 | 173.9 | 173 | 0 | 111.4 | I174 V175 R177 I179 D181 | K155-I174 WeakPolarHBondContact O-CA 3.29Å; K155-V175 HydrophobicContact CD-CG2 4.11Å; K155-V175 VanDerWaalsContact CE-CG2 3.43Å; K155-V175 HydrophobicContact CG-CG2 3.56Å; K155-V175 PolarHBondContact N-O 3.48Å; K155-V175 PolarHBondContact O-N 2.68Å; K155-V175 VanDerWaalsContact O-O 3.1Å; K155-R177 HydrophobicContact CB-CB 4.3Å; K155-I179 WeakPolarHBondContact CE-O 3.44Å; K155-I179 PolarHBondContact NZ-O 3.24Å; K155-D181 IonicContact NZ-OD1 3.28Å; K155-D181 PolarHBondContact NZ-OD1 2.86Å; K155-D181 IonicContact NZ-OD2 2.8Å; K155-D181 PolarHBondContact NZ-OD2 2.86Å |
| 156 | I | 97.3 | Very high | 96.1 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.5 | 152.3 | -60 | 165.5 | 0 | 0 | 0 | 106.3 | V141 C142 F145 H172 H173 I174 | V141-I156 HydrophobicContact CG1-CD1 4.19Å; V141-I156 HydrophobicContact CG1-CG2 4.16Å; V141-I156 HydrophobicContact CG2-CD1 4.49Å; V141-I156 HydrophobicContact CG2-CG1 4.48Å; C142-I156 HydrophobicContact CB-CD1 4.5Å; F145-I156 HydrophobicContact CB-CD1 3.93Å; F145-I156 HydrophobicContact CB-CG1 4.39Å; F145-I156 HydrophobicContact CD2-CD1 4.09Å; F145-I156 HydrophobicContact CD2-CG1 3.68Å; F145-I156 HydrophobicContact CE2-CG1 4.17Å; F145-I156 HydrophobicContact CG-CD1 3.96Å; F145-I156 HydrophobicContact CG-CG1 4.09Å; I156-H172 HydrophobicContact CG2-CB 4.07Å; I156-H173 CarbonylContact C-O 3.57Å; I156-H173 VanDerWaalsContact CA-O 3.27Å; I156-H173 WeakPolarHBondContact CA-O 3.41Å; I156-I174 HydrophobicContact CG1-CG1 4.45Å |
| 157 | T | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.2 | 167.8 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | I159 H172 H173 V175 D181 I184 | T157-I159 HydrophobicContact CG2-CG2 4.08Å; T157-I159 WeakPolarHBondContact OG1-CG2 3.46Å; T157-I159 PolarHBondContact OG1-N 3.15Å; T157-H172 WeakPolarHBondContact O-CA 3.29Å; T157-H173 HydrophobicContact CG2-CB 3.91Å; T157-H173 PolarHBondContact N-O 3.49Å; T157-H173 PolarHBondContact O-N 3.45Å; T157-V175 HydrophobicContact CG2-CG1 4.26Å; T157-V175 HydrophobicContact CG2-CG2 3.8Å; T157-D181 VanDerWaalsContact CB-OD1 3.3Å; T157-D181 WeakPolarHBondContact CB-OD1 3.44Å; T157-D181 PolarHBondContact OG1-OD1 3.4Å; T157-I184 HydrophobicContact CG2-CD1 3.85Å |
| 158 | D | 94.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | trans | -105 | 12.6 | 177.9 | 61.9 | -25.8 | 0 | 0 | 0 | 112.2 | N160 N161 | D158-N160 PolarHBondContact O-N 3.05Å; D158-N161 HydrophobicContact CB-CB 4.38Å; D158-N161 WeakPolarHBondContact O-CB 3.09Å; D158-N161 PolarHBondContact O-N 3.36Å | ||
| 159 | I | 96.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 54 Ų | 54 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.6 | -177.2 | -164.4 | 67.5 | 0 | 0 | 0 | 114.2 | T157 I165 D181 I184 | T157-I159 HydrophobicContact CG2-CG2 4.08Å; T157-I159 WeakPolarHBondContact OG1-CG2 3.46Å; T157-I159 PolarHBondContact OG1-N 3.15Å; I159-I165 HydrophobicContact CB-CD1 4.36Å; I159-I165 HydrophobicContact CG1-CD1 3.63Å; I159-I165 HydrophobicContact CG2-CD1 3.99Å; I159-D181 HydrophobicContact CB-CB 4.07Å; I159-D181 HydrophobicContact CD1-CB 3.84Å; I159-D181 HydrophobicContact CG1-CB 3.86Å; I159-I184 HydrophobicContact CG2-CD1 4.4Å; I159-I184 HydrophobicContact CG2-CG2 4.44Å |
| 160 | N | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 14.1 | 174 | -158.4 | 50.3 | 0 | 0 | 0 | 113.9 | D158 E162 F163 I165 C166 P170 R171 | D158-N160 PolarHBondContact O-N 3.05Å; N160-E162 PolarHBondContact O-N 3.41Å; N160-E162 VanDerWaalsContact O-N 3.09Å; N160-F163 WeakPolarHBondContact O-CA 3.4Å; N160-F163 PolarHBondContact O-N 3.49Å; N160-I165 PolarHBondContact OD1-N 3.41Å; N160-C166 PolarHBondContact ND2-O 3.48Å; N160-C166 PolarHBondContact OD1-N 3.47Å; N160-C166 PolarHBondContact OD1-O 3.22Å; N160-P170 PolarHBondContact ND2-O 2.94Å; N160-R171 CarbonylContact C-O 3.6Å; N160-R171 VanDerWaalsContact C-O 3.26Å |
| 161 | N | 93.6 | Very high | 96 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.8 | -176 | 178.3 | 44.5 | 0 | 0 | 0 | 114.7 | D158 R171 | D158-N161 HydrophobicContact CB-CB 4.38Å; D158-N161 WeakPolarHBondContact O-CB 3.09Å; D158-N161 PolarHBondContact O-N 3.36Å; N161-R171 HydrophobicContact CB-CB 4.46Å; N161-R171 PolarHBondContact N-O 3.29Å; N161-R171 WeakPolarHBondContact OD1-CD 3.44Å; N161-R171 PolarHBondContact OD1-NH1 3.32Å |
| 162 | E | 93.7 | Very high | 96.1 | Very high | 123 Ų | 123 | 50 Ų | 50 | 58% | 0.575 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 9 | 172.7 | -62.1 | -175.6 | 169.4 | 0 | 0 | 113.2 | N160 K164 | N160-E162 PolarHBondContact O-N 3.41Å; N160-E162 VanDerWaalsContact O-N 3.09Å; E162-K164 HydrophobicContact CB-CD 4.13Å; E162-K164 HydrophobicContact CB-CG 4.07Å; E162-K164 PolarHBondContact O-N 3.28Å; E162-K164 WeakPolarHBondContact OE2-CD 3.49Å; E162-K164 WeakPolarHBondContact OE2-CE 3.17Å; E162-K164 IonicContact OE2-NZ 2.71Å; E162-K164 PolarHBondContact OE2-NZ 3.14Å |
| 163 | F | 95.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 52 | 38.6 | -176.2 | -47.9 | -84.7 | 0 | 0 | 0 | 113.3 | N160 Y169 R171 E461 K462 Q465 | N160-F163 WeakPolarHBondContact O-CA 3.4Å; N160-F163 PolarHBondContact O-N 3.49Å; F163-Y169 VanDerWaalsContact CD1-O 3.31Å; F163-Y169 WeakPolarHBondContact CD1-O 3.3Å; F163-Y169 WeakPolarHBondContact CE1-O 3.32Å; F163-R171 HydrophobicContact CE1-CG 3.76Å; F163-R171 HydrophobicContact CE2-CG 3.96Å; F163-R171 HydrophobicContact CZ-CG 3.43Å; F163-R171 VanDerWaalsContact CZ-CG 3.43Å; F163-E461 HydrophobicContact CE1-CB 3.99Å; F163-E461 HydrophobicContact CE1-CG 3.99Å; F163-E461 VanDerWaalsContact CE1-OE2 3.27Å; F163-E461 WeakPolarHBondContact CE1-OE2 3.36Å; F163-E461 HydrophobicContact CZ-CB 4.25Å; F163-E461 HydrophobicContact CZ-CG 3.89Å; F163-E461 WeakPolarHBondContact CZ-OE2 3.39Å; F163-K462 HydrophobicContact CB-CB 4.28Å; F163-K462 HydrophobicContact CB-CD 3.52Å; F163-K462 HydrophobicContact CB-CG 3.99Å; F163-K462 HydrophobicContact CD1-CB 3.98Å; F163-K462 HydrophobicContact CD2-CB 3.95Å; F163-K462 HydrophobicContact CD2-CD 4.24Å; F163-K462 HydrophobicContact CD2-CG 3.75Å; F163-K462 HydrophobicContact CE1-CB 4.22Å; F163-K462 HydrophobicContact CE2-CB 4.19Å; F163-K462 HydrophobicContact CE2-CG 4.31Å; F163-K462 HydrophobicContact CG-CB 3.82Å; F163-K462 HydrophobicContact CG-CD 3.97Å; F163-K462 HydrophobicContact CG-CG 3.86Å; F163-K462 HydrophobicContact CZ-CB 4.31Å; F163-K462 PolarHBondContact O-NZ 3.5Å; F163-Q465 VanDerWaalsContact CE2-OE1 3.31Å |
| 164 | K | 96.1 | Very high | 96.3 | Very high | 161 Ų | 161 | 38.5 Ų | 38.5 | 70% | 0.7 | 19% | 0.191 | S | C | * | . | trans | -87 | -35.7 | -176.8 | -83.1 | 178 | 169.7 | 166.2 | 0 | 113.1 | E162 | E162-K164 HydrophobicContact CB-CD 4.13Å; E162-K164 HydrophobicContact CB-CG 4.07Å; E162-K164 PolarHBondContact O-N 3.28Å; E162-K164 WeakPolarHBondContact OE2-CD 3.49Å; E162-K164 WeakPolarHBondContact OE2-CE 3.17Å; E162-K164 IonicContact OE2-NZ 2.71Å; E162-K164 PolarHBondContact OE2-NZ 3.14Å | ||
| 165 | I | 97.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -77.8 | -54.9 | 176.5 | -64.4 | 176.1 | 0 | 0 | 0 | 109.1 | I159 N160 I185 A188 N194 F196 | I159-I165 HydrophobicContact CB-CD1 4.36Å; I159-I165 HydrophobicContact CG1-CD1 3.63Å; I159-I165 HydrophobicContact CG2-CD1 3.99Å; N160-I165 PolarHBondContact OD1-N 3.41Å; I165-I185 HydrophobicContact CD1-CD1 4.4Å; I165-I185 HydrophobicContact CD1-CG1 3.5Å; I165-I185 VanDerWaalsContact CD1-CG1 3.5Å; I165-I185 HydrophobicContact CG1-CG1 4.15Å; I165-A188 HydrophobicContact CG2-CB 3.4Å; I165-A188 VanDerWaalsContact CG2-CB 3.4Å; I165-N194 WeakPolarHBondContact O-CB 3.45Å; I165-N194 PolarHBondContact O-ND2 3.44Å; I165-F196 HydrophobicContact CB-CE1 4.37Å; I165-F196 HydrophobicContact CG2-CD1 3.81Å; I165-F196 HydrophobicContact CG2-CE1 3.71Å |
| 166 | C | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | trans | -132.4 | 117.4 | 179.2 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | N160 T168 Y169 H193 N194 R195 F196 | N160-C166 PolarHBondContact ND2-O 3.48Å; N160-C166 PolarHBondContact OD1-N 3.47Å; N160-C166 PolarHBondContact OD1-O 3.22Å; C166-T168 VanDerWaalsContact C-N 3.25Å; C166-T168 PolarHBondContact O-N 3.11Å; C166-T168 PolarHBondContact SG-OG1 3.33Å; C166-Y169 HydrophobicContact CB-CD2 4.14Å; C166-Y169 HydrophobicContact CB-CG 4.14Å; C166-H193 PolarHBondContact SG-O 2.7Å; C166-H193 VanDerWaalsContact SG-O 3.34Å; C166-N194 HydrophobicContact CB-CB 4.23Å; C166-N194 WeakPolarHBondContact CB-O 3.28Å; C166-R195 WeakPolarHBondContact SG-CG 3.4Å; C166-F196 HydrophobicContact CB-CE1 4.35Å | ||
| 167 | S | 97 | Very high | 96.4 | Very high | 61 Ų | 61 | 41 Ų | 41 | 43% | 0.427 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.4 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 168 | T | 97.5 | Very high | 96.4 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 14% | 0.135 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 9.4 | -174.6 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | C166 R195 W357 F392 G393 | C166-T168 VanDerWaalsContact C-N 3.25Å; C166-T168 PolarHBondContact O-N 3.11Å; C166-T168 PolarHBondContact SG-OG1 3.33Å; T168-R195 VanDerWaalsContact CB-NH1 3.33Å; T168-R195 PolarHBondContact O-NH1 3.48Å; T168-R195 WeakPolarHBondContact OG1-CD 3.41Å; T168-R195 PolarHBondContact OG1-NH1 2.89Å; T168-W357 HydrophobicContact CG2-CZ3 4.36Å; T168-F392 CarbonylContact O-C 3.53Å; T168-G393 WeakPolarHBondContact O-CA 3.13Å |
| 169 | Y | 97.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -110.4 | 161.6 | 176.4 | -96 | 8.7 | 0 | 0 | 0 | 110.8 | F163 C166 H173 R195 F196 T198 R212 C213 F392 | F163-Y169 VanDerWaalsContact CD1-O 3.31Å; F163-Y169 WeakPolarHBondContact CD1-O 3.3Å; F163-Y169 WeakPolarHBondContact CE1-O 3.32Å; C166-Y169 HydrophobicContact CB-CD2 4.14Å; C166-Y169 HydrophobicContact CB-CG 4.14Å; Y169-H173 AromaticContact CD2-CE1 3.21Å; Y169-H173 WeakPolarHBondContact CD2-CE1 3.34Å; Y169-H173 AromaticContact CD2-NE2 3.64Å; Y169-H173 AromaticContact CE2-CE1 3.77Å; Y169-H173 AromaticContact CG-CE1 3.73Å; Y169-R195 HydrophobicContact CD1-CB 4.39Å; Y169-R195 HydrophobicContact CD1-CG 4Å; Y169-R195 HydrophobicContact CE1-CB 3.77Å; Y169-R195 HydrophobicContact CE1-CG 3.82Å; Y169-R195 HydrophobicContact CE2-CB 4.32Å; Y169-R195 PolarHBondContact OH-O 3.1Å; Y169-F196 HydrophobicContact CD2-CD1 4.2Å; Y169-F196 AromaticContact CD2-CE1 3.9Å; Y169-F196 HydrophobicContact CD2-CE1 3.9Å; Y169-F196 HydrophobicContact CD2-CE2 4.37Å; Y169-F196 AromaticContact CD2-CZ 4Å; Y169-F196 HydrophobicContact CD2-CZ 4Å; Y169-F196 HydrophobicContact CE2-CD1 4.23Å; Y169-F196 HydrophobicContact CE2-CD2 4.21Å; Y169-F196 HydrophobicContact CE2-CE1 4.32Å; Y169-F196 HydrophobicContact CE2-CE2 4.3Å; Y169-F196 HydrophobicContact CE2-CG 4.17Å; Y169-F196 HydrophobicContact CE2-CZ 4.36Å; Y169-F196 VanDerWaalsContact CE2-O 3.24Å; Y169-F196 WeakPolarHBondContact CE2-O 3.37Å; Y169-F196 PolarHBondContact OH-O 2.96Å; Y169-T198 HydrophobicContact CE2-CG2 4.26Å; Y169-R212 PolarHBondContact OH-O 3.46Å; Y169-C213 WeakPolarHBondContact OH-CA 3.47Å; Y169-F392 AromaticContact CD1-CD1 3.65Å; Y169-F392 HydrophobicContact CD1-CD1 3.65Å; Y169-F392 AromaticContact CD1-CE1 3.99Å; Y169-F392 HydrophobicContact CD1-CE1 3.99Å; Y169-F392 AromaticContact CE1-CD1 3.61Å; Y169-F392 HydrophobicContact CE1-CD1 3.61Å; Y169-F392 AromaticContact CE1-CE1 3.86Å; Y169-F392 HydrophobicContact CE1-CE1 3.86Å; Y169-F392 HydrophobicContact CE2-CE1 4.42Å; Y169-F392 HydrophobicContact CG-CD1 4.33Å; Y169-F392 HydrophobicContact CG-CE1 4.3Å |
| 170 | P | 95.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | trans | -61.6 | 166.4 | 172.6 | 24.8 | -33.8 | 0 | 0 | 0 | 112.9 | N160 H172 H173 Q391 F392 E461 | N160-P170 PolarHBondContact ND2-O 2.94Å; P170-H172 VanDerWaalsContact C-N 3.29Å; P170-H172 PolarHBondContact O-N 3.23Å; P170-H173 PolarHBondContact O-NE2 3.34Å; P170-H173 VanDerWaalsContact O-NE2 3.16Å; P170-Q391 HydrophobicContact CB-CB 4.24Å; P170-F392 HydrophobicContact CG-CD1 4.24Å; P170-F392 HydrophobicContact CG-CE1 3.87Å; P170-F392 HydrophobicContact CG-CE2 4.37Å; P170-F392 HydrophobicContact CG-CZ 3.93Å; P170-E461 VanDerWaalsContact CA-OE2 3.25Å; P170-E461 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 171 | R | 94.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -59.7 | -33.7 | 169.6 | -71.6 | 177.5 | 178.3 | -134.1 | 13.8 | 114.6 | D137 N160 N161 F163 E461 | D137-R171 WeakPolarHBondContact OD2-CD 3.46Å; D137-R171 IonicContact OD2-NE 2.72Å; N160-R171 CarbonylContact C-O 3.6Å; N160-R171 VanDerWaalsContact C-O 3.26Å; N161-R171 HydrophobicContact CB-CB 4.46Å; N161-R171 PolarHBondContact N-O 3.29Å; N161-R171 WeakPolarHBondContact OD1-CD 3.44Å; N161-R171 PolarHBondContact OD1-NH1 3.32Å; F163-R171 HydrophobicContact CE1-CG 3.76Å; F163-R171 HydrophobicContact CE2-CG 3.96Å; F163-R171 HydrophobicContact CZ-CG 3.43Å; F163-R171 VanDerWaalsContact CZ-CG 3.43Å; R171-E461 WeakPolarHBondContact CG-OE2 3.16Å; R171-E461 PolarHBondContact N-OE2 2.77Å |
| 172 | H | 95.2 | Very high | 96.9 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | trans | -127.9 | 140.2 | -166.7 | -57.2 | 81 | 0 | 0 | 0 | 112.5 | T138 V141 I156 T157 P170 | T138-H172 PolarHBondContact OG1-CE1 3.48Å; T138-H172 PolarHBondContact OG1-NE2 3.35Å; V141-H172 HydrophobicContact CG1-CB 3.73Å; I156-H172 HydrophobicContact CG2-CB 4.07Å; T157-H172 WeakPolarHBondContact O-CA 3.29Å; P170-H172 VanDerWaalsContact C-N 3.29Å; P170-H172 PolarHBondContact O-N 3.23Å | ||
| 173 | H | 96.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.7 | -173.8 | -71.5 | -82.7 | 0 | 0 | 0 | 113.3 | I156 T157 Y169 P170 F196 T198 F392 | I156-H173 CarbonylContact C-O 3.57Å; I156-H173 VanDerWaalsContact CA-O 3.27Å; I156-H173 WeakPolarHBondContact CA-O 3.41Å; T157-H173 HydrophobicContact CG2-CB 3.91Å; T157-H173 PolarHBondContact N-O 3.49Å; T157-H173 PolarHBondContact O-N 3.45Å; Y169-H173 AromaticContact CD2-CE1 3.21Å; Y169-H173 WeakPolarHBondContact CD2-CE1 3.34Å; Y169-H173 AromaticContact CD2-NE2 3.64Å; Y169-H173 AromaticContact CE2-CE1 3.77Å; Y169-H173 AromaticContact CG-CE1 3.73Å; P170-H173 PolarHBondContact O-NE2 3.34Å; P170-H173 VanDerWaalsContact O-NE2 3.16Å; H173-F196 HydrophobicContact CB-CE2 4.22Å; H173-F196 AromaticContact CD2-CE2 3.87Å; H173-F196 AromaticContact CD2-CZ 3.47Å; H173-F196 VanDerWaalsContact CD2-CZ 3.47Å; H173-F196 WeakPolarHBondContact CD2-CZ 3.37Å; H173-F196 AromaticContact CE1-CE2 3.98Å; H173-F196 AromaticContact CE1-CZ 3.83Å; H173-F196 AromaticContact CG-CE2 3.67Å; H173-F196 AromaticContact CG-CZ 3.78Å; H173-F196 AromaticContact ND1-CE2 3.76Å; H173-F196 AromaticContact NE2-CZ 3.47Å; H173-F196 WeakPolarHBondContact NE2-CZ 3.43Å; H173-T198 WeakPolarHBondContact ND1-CB 3.37Å; H173-T198 PolarHBondContact ND1-OG1 3.44Å; H173-T198 VanDerWaalsContact ND1-OG1 3.17Å; H173-F392 AromaticContact CE1-CE1 3.92Å |
| 174 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.9 | 174 | -54 | 176.8 | 0 | 0 | 0 | 109.1 | V141 F145 F150 K155 I156 V199 | V141-I174 HydrophobicContact CG2-CD1 3.94Å; V141-I174 HydrophobicContact CG2-CG1 3.75Å; F145-I174 HydrophobicContact CB-CD1 4.41Å; F145-I174 HydrophobicContact CD2-CD1 4.07Å; F145-I174 HydrophobicContact CD2-CG1 4.17Å; F145-I174 HydrophobicContact CD2-CG2 4.08Å; F145-I174 HydrophobicContact CE2-CG2 4.15Å; F150-I174 HydrophobicContact CD1-CG2 4.13Å; F150-I174 HydrophobicContact CE1-CG2 3.74Å; F150-I174 HydrophobicContact CE2-CD1 3.93Å; F150-I174 HydrophobicContact CZ-CD1 4.1Å; F150-I174 HydrophobicContact CZ-CG2 3.96Å; K155-I174 WeakPolarHBondContact O-CA 3.29Å; I156-I174 HydrophobicContact CG1-CG1 4.45Å; I174-V199 HydrophobicContact CB-CB 4.11Å; I174-V199 HydrophobicContact CG2-CB 4.07Å; I174-V199 HydrophobicContact CG2-CG1 4.45Å; I174-V199 PolarHBondContact O-N 2.96Å |
| 175 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 161.6 | -175.3 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | K155 T157 I184 F231 | K155-V175 HydrophobicContact CD-CG2 4.11Å; K155-V175 VanDerWaalsContact CE-CG2 3.43Å; K155-V175 HydrophobicContact CG-CG2 3.56Å; K155-V175 PolarHBondContact N-O 3.48Å; K155-V175 PolarHBondContact O-N 2.68Å; K155-V175 VanDerWaalsContact O-O 3.1Å; T157-V175 HydrophobicContact CG2-CG1 4.26Å; T157-V175 HydrophobicContact CG2-CG2 3.8Å; V175-I184 HydrophobicContact CG1-CD1 4.1Å; V175-I184 HydrophobicContact CG2-CD1 4.18Å; V175-F231 HydrophobicContact CB-CE2 3.95Å; V175-F231 HydrophobicContact CB-CZ 4.28Å; V175-F231 HydrophobicContact CG1-CE2 3.87Å; V175-F231 HydrophobicContact CG1-CZ 4.03Å |
| 176 | P | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 141.7 | 171.4 | -19.6 | 31.3 | 0 | 0 | 0 | 111.6 | W154 S178 I179 T234 V235 | W154-P176 HydrophobicContact CE3-CG 4.25Å; W154-P176 HydrophobicContact CH2-CG 4.39Å; W154-P176 HydrophobicContact CZ3-CB 4.48Å; W154-P176 HydrophobicContact CZ3-CG 3.76Å; P176-S178 VanDerWaalsContact C-N 3.25Å; P176-S178 PolarHBondContact O-N 3.43Å; P176-I179 HydrophobicContact CB-CG1 4.01Å; P176-I179 HydrophobicContact CG-CG1 4.07Å; P176-I179 WeakPolarHBondContact O-CB 3.26Å; P176-I179 PolarHBondContact O-N 2.79Å; P176-I179 VanDerWaalsContact O-N 3.12Å; P176-T234 HydrophobicContact CB-CG2 3.64Å; P176-T234 HydrophobicContact CG-CG2 3.98Å; P176-V235 HydrophobicContact CG-CG2 3.79Å |
| 177 | R | 98 | Very high | 97.3 | Very high | 129 Ų | 129 | 34.6 Ų | 34.6 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.6 | -177.5 | 175.4 | 165.6 | -81.1 | 94.7 | 11.8 | 113.2 | K152 T153 W154 K155 I179 | K152-R177 VanDerWaalsContact C-NH1 3.33Å; K152-R177 PolarHBondContact O-NH1 3.27Å; T153-R177 WeakPolarHBondContact O-CB 3.27Å; T153-R177 PolarHBondContact O-N 3.06Å; W154-R177 VanDerWaalsContact O-CZ 3.26Å; W154-R177 PolarHBondContact O-NH1 2.78Å; W154-R177 PolarHBondContact O-NH2 3.46Å; W154-R177 VanDerWaalsContact O-NH2 3.15Å; K155-R177 HydrophobicContact CB-CB 4.3Å; R177-I179 VanDerWaalsContact C-N 3.3Å |
| 178 | S | 97.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 31.8 Ų | 31.8 | 57% | 0.573 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8.7 | 175.8 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | P176 T234 | P176-S178 VanDerWaalsContact C-N 3.25Å; P176-S178 PolarHBondContact O-N 3.43Å; S178-T234 WeakPolarHBondContact OG-CG2 3.27Å |
| 179 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -83.2 | 118.2 | 172.1 | -64.8 | -65.4 | 0 | 0 | 0 | 108.4 | K155 P176 R177 D183 I184 K230 F231 T234 | K155-I179 WeakPolarHBondContact CE-O 3.44Å; K155-I179 PolarHBondContact NZ-O 3.24Å; P176-I179 HydrophobicContact CB-CG1 4.01Å; P176-I179 HydrophobicContact CG-CG1 4.07Å; P176-I179 WeakPolarHBondContact O-CB 3.26Å; P176-I179 PolarHBondContact O-N 2.79Å; P176-I179 VanDerWaalsContact O-N 3.12Å; R177-I179 VanDerWaalsContact C-N 3.3Å; I179-D183 HydrophobicContact CG2-CB 3.95Å; I179-I184 HydrophobicContact CG2-CD1 4.24Å; I179-I184 HydrophobicContact CG2-CG1 3.73Å; I179-K230 HydrophobicContact CD1-CG 4.3Å; I179-F231 HydrophobicContact CB-CD2 4.35Å; I179-F231 HydrophobicContact CD1-CB 4.4Å; I179-F231 HydrophobicContact CD1-CD2 3.99Å; I179-F231 HydrophobicContact CG1-CD2 3.72Å; I179-F231 HydrophobicContact CG1-CE2 4.19Å; I179-F231 HydrophobicContact CG2-CD2 3.92Å; I179-F231 HydrophobicContact CG2-CE2 4.19Å; I179-T234 HydrophobicContact CD1-CG2 4.23Å; I179-T234 HydrophobicContact CG1-CG2 4.16Å |
| 180 | S | 97.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | trans | -73.8 | 153.6 | 173.5 | 72.5 | 0 | 0 | 0 | 0 | 110.2 | N182 D183 I184 | S180-N182 PolarHBondContact O-N 3.03Å; S180-D183 WeakPolarHBondContact CB-OD2 3.47Å; S180-D183 PolarHBondContact N-OD2 3.47Å; S180-D183 VanDerWaalsContact O-CB 3.29Å; S180-D183 WeakPolarHBondContact O-CB 3.28Å; S180-D183 PolarHBondContact O-N 3.27Å; S180-D183 PolarHBondContact OG-N 3.11Å; S180-D183 PolarHBondContact OG-OD2 2.74Å; S180-I184 PolarHBondContact O-N 3.5Å | ||
| 181 | D | 97 | Very high | 97.4 | Very high | 49 Ų | 49 | 35 Ų | 35 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.5 | -18.1 | -177.9 | -50.8 | -74.7 | 0 | 0 | 0 | 111.8 | K155 T157 I159 I184 I185 | K155-D181 IonicContact NZ-OD1 3.28Å; K155-D181 PolarHBondContact NZ-OD1 2.86Å; K155-D181 IonicContact NZ-OD2 2.8Å; K155-D181 PolarHBondContact NZ-OD2 2.86Å; T157-D181 VanDerWaalsContact CB-OD1 3.3Å; T157-D181 WeakPolarHBondContact CB-OD1 3.44Å; T157-D181 PolarHBondContact OG1-OD1 3.4Å; I159-D181 HydrophobicContact CB-CB 4.07Å; I159-D181 HydrophobicContact CD1-CB 3.84Å; I159-D181 HydrophobicContact CG1-CB 3.86Å; D181-I184 WeakPolarHBondContact O-CB 2.76Å; D181-I184 PolarHBondContact O-N 3.29Å; D181-I185 WeakPolarHBondContact O-CG1 3.48Å; D181-I185 PolarHBondContact O-N 2.94Å; D181-I185 VanDerWaalsContact O-N 3.13Å |
| 182 | N | 97.4 | Very high | 97.6 | Very high | 94 Ų | 94 | 32.6 Ų | 32.6 | 50% | 0.503 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.9 | -35.7 | 166.9 | -169.9 | 82.3 | 0 | 0 | 0 | 112.9 | S180 I184 I185 N186 | S180-N182 PolarHBondContact O-N 3.03Å; N182-I184 PolarHBondContact O-N 3.38Å; N182-I185 PolarHBondContact O-N 3.43Å; N182-N186 PolarHBondContact ND2-ND2 3.01Å; N182-N186 PolarHBondContact O-N 3.26Å |
| 183 | D | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -36.3 | 171.3 | -60.9 | -60.4 | 0 | 0 | 0 | 110.8 | I179 S180 M187 Y227 K230 | I179-D183 HydrophobicContact CG2-CB 3.95Å; S180-D183 WeakPolarHBondContact CB-OD2 3.47Å; S180-D183 PolarHBondContact N-OD2 3.47Å; S180-D183 VanDerWaalsContact O-CB 3.29Å; S180-D183 WeakPolarHBondContact O-CB 3.28Å; S180-D183 PolarHBondContact O-N 3.27Å; S180-D183 PolarHBondContact OG-N 3.11Å; S180-D183 PolarHBondContact OG-OD2 2.74Å; D183-M187 VanDerWaalsContact O-CB 3.28Å; D183-M187 WeakPolarHBondContact O-CB 3.46Å; D183-M187 PolarHBondContact O-N 2.87Å; D183-Y227 HydrophobicContact CB-CD1 3.99Å; D183-Y227 VanDerWaalsContact OD1-CD1 3.23Å; D183-Y227 WeakPolarHBondContact OD1-CD1 3.44Å; D183-K230 IonicContact OD1-NZ 3.45Å; D183-K230 PolarHBondContact OD1-NZ 2.94Å; D183-K230 IonicContact OD2-NZ 3.53Å; D183-K230 PolarHBondContact OD2-NZ 3.08Å |
| 184 | I | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 178.6 | -56.4 | 175.1 | 0 | 0 | 0 | 110.7 | T157 I159 V175 I179 S180 D181 N182 M187 A188 F196 | T157-I184 HydrophobicContact CG2-CD1 3.85Å; I159-I184 HydrophobicContact CG2-CD1 4.4Å; I159-I184 HydrophobicContact CG2-CG2 4.44Å; V175-I184 HydrophobicContact CG1-CD1 4.1Å; V175-I184 HydrophobicContact CG2-CD1 4.18Å; I179-I184 HydrophobicContact CG2-CD1 4.24Å; I179-I184 HydrophobicContact CG2-CG1 3.73Å; S180-I184 PolarHBondContact O-N 3.5Å; D181-I184 WeakPolarHBondContact O-CB 2.76Å; D181-I184 PolarHBondContact O-N 3.29Å; N182-I184 PolarHBondContact O-N 3.38Å; I184-M187 PolarHBondContact O-N 3.5Å; I184-A188 VanDerWaalsContact O-CB 3.3Å; I184-A188 WeakPolarHBondContact O-CB 3.49Å; I184-A188 PolarHBondContact O-N 3.31Å; I184-F196 HydrophobicContact CG2-CD1 4.17Å; I184-F196 HydrophobicContact CG2-CD2 3.74Å; I184-F196 HydrophobicContact CG2-CE1 4.2Å; I184-F196 HydrophobicContact CG2-CE2 3.76Å; I184-F196 HydrophobicContact CG2-CG 3.96Å; I184-F196 HydrophobicContact CG2-CZ 4Å |
| 185 | I | 97.8 | Very high | 97.8 | Very high | 75 Ų | 75 | 39.5 Ų | 39.5 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -48 | 174.7 | -68.5 | 164.1 | 0 | 0 | 0 | 110.7 | I165 D181 N182 M187 A188 | I165-I185 HydrophobicContact CD1-CD1 4.4Å; I165-I185 HydrophobicContact CD1-CG1 3.5Å; I165-I185 VanDerWaalsContact CD1-CG1 3.5Å; I165-I185 HydrophobicContact CG1-CG1 4.15Å; D181-I185 WeakPolarHBondContact O-CG1 3.48Å; D181-I185 PolarHBondContact O-N 2.94Å; D181-I185 VanDerWaalsContact O-N 3.13Å; N182-I185 PolarHBondContact O-N 3.43Å; I185-M187 VanDerWaalsContact C-N 3.32Å; I185-M187 PolarHBondContact O-N 3Å; I185-A188 PolarHBondContact O-N 3.45Å |
| 186 | N | 97.8 | Very high | 97.8 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70 | -26.4 | -178.3 | -72.5 | -8.2 | 0 | 0 | 0 | 113.7 | N182 S189 N225 Y227 | N182-N186 PolarHBondContact ND2-ND2 3.01Å; N182-N186 PolarHBondContact O-N 3.26Å; N186-S189 PolarHBondContact O-OG 3.4Å; N186-N225 PolarHBondContact O-ND2 3.33Å; N186-Y227 HydrophobicContact CB-CD1 4Å; N186-Y227 HydrophobicContact CB-CD2 3.46Å; N186-Y227 VanDerWaalsContact CB-CD2 3.46Å; N186-Y227 HydrophobicContact CB-CE1 4.25Å; N186-Y227 HydrophobicContact CB-CE2 3.78Å; N186-Y227 HydrophobicContact CB-CG 3.63Å |
| 187 | M | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.7 | -39.1 | 170.9 | 178.9 | -159.1 | -40.9 | 0 | 0 | 112 | D183 I184 I185 S189 F190 R191 F196 L197 D228 F231 | D183-M187 VanDerWaalsContact O-CB 3.28Å; D183-M187 WeakPolarHBondContact O-CB 3.46Å; D183-M187 PolarHBondContact O-N 2.87Å; I184-M187 PolarHBondContact O-N 3.5Å; I185-M187 VanDerWaalsContact C-N 3.32Å; I185-M187 PolarHBondContact O-N 3Å; M187-S189 VanDerWaalsContact C-N 3.32Å; M187-S189 PolarHBondContact O-N 3.39Å; M187-F190 WeakPolarHBondContact O-CB 3.28Å; M187-F190 PolarHBondContact O-N 2.94Å; M187-R191 PolarHBondContact O-N 3.45Å; M187-F196 HydrophobicContact SD-CB 4.05Å; M187-L197 HydrophobicContact SD-CB 4Å; M187-L197 HydrophobicContact SD-CD1 3.95Å; M187-L197 HydrophobicContact SD-CG 4.46Å; M187-D228 HydrophobicContact CG-CB 3.93Å; M187-F231 HydrophobicContact CE-CB 3.52Å; M187-F231 HydrophobicContact CE-CD1 4.43Å; M187-F231 HydrophobicContact CE-CD2 3.45Å; M187-F231 VanDerWaalsContact CE-CD2 3.45Å; M187-F231 HydrophobicContact CE-CE2 4.2Å; M187-F231 HydrophobicContact CE-CG 3.57Å; M187-F231 HydrophobicContact SD-CB 4.48Å; M187-F231 HydrophobicContact SD-CG 4.41Å |
| 188 | A | 98.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I165 I184 I185 F190 R191 N194 F196 | I165-A188 HydrophobicContact CG2-CB 3.4Å; I165-A188 VanDerWaalsContact CG2-CB 3.4Å; I184-A188 VanDerWaalsContact O-CB 3.3Å; I184-A188 WeakPolarHBondContact O-CB 3.49Å; I184-A188 PolarHBondContact O-N 3.31Å; I185-A188 PolarHBondContact O-N 3.45Å; A188-F190 PolarHBondContact O-N 2.77Å; A188-F190 VanDerWaalsContact O-N 3.13Å; A188-R191 PolarHBondContact O-N 3.49Å; A188-R191 VanDerWaalsContact O-O 3.12Å; A188-N194 HydrophobicContact CB-CB 4.27Å; A188-N194 WeakPolarHBondContact O-CA 3.39Å; A188-N194 PolarHBondContact O-OD1 2.93Å; A188-F196 HydrophobicContact CB-CB 4.13Å; A188-F196 HydrophobicContact CB-CD1 3.94Å; A188-F196 HydrophobicContact CB-CG 4.45Å |
| 189 | S | 95.8 | Very high | 97.9 | Very high | 83 Ų | 83 | 29.5 Ų | 29.5 | 58% | 0.58 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | N186 M187 | N186-S189 PolarHBondContact O-OG 3.4Å; M187-S189 VanDerWaalsContact C-N 3.32Å; M187-S189 PolarHBondContact O-N 3.39Å |
| 190 | F | 97.5 | Very high | 97.8 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.2 | 173.9 | -177.6 | -111.9 | 0 | 0 | 0 | 113.5 | M187 A188 P216 C217 V218 S223 N225 D228 | M187-F190 WeakPolarHBondContact O-CB 3.28Å; M187-F190 PolarHBondContact O-N 2.94Å; A188-F190 PolarHBondContact O-N 2.77Å; A188-F190 VanDerWaalsContact O-N 3.13Å; F190-P216 HydrophobicContact CD1-CB 4.17Å; F190-P216 HydrophobicContact CE1-CB 3.48Å; F190-P216 VanDerWaalsContact CE1-CB 3.48Å; F190-P216 HydrophobicContact CZ-CB 3.77Å; F190-P216 CarbonylContact O-C 3.02Å; F190-P216 WeakPolarHBondContact O-CA 3.41Å; F190-C217 HydrophobicContact CD2-CB 4.36Å; F190-C217 WeakPolarHBondContact O-CB 3.48Å; F190-C217 PolarHBondContact O-N 2.93Å; F190-V218 HydrophobicContact CE2-CG2 4.5Å; F190-V218 HydrophobicContact CZ-CG2 3.95Å; F190-S223 WeakPolarHBondContact CE2-O 3.26Å; F190-S223 WeakPolarHBondContact CZ-O 3.31Å; F190-N225 HydrophobicContact CB-CB 3.7Å; F190-N225 HydrophobicContact CD1-CB 3.43Å; F190-N225 VanDerWaalsContact CD1-CB 3.43Å; F190-N225 HydrophobicContact CD2-CB 3.94Å; F190-N225 HydrophobicContact CE1-CB 3.94Å; F190-N225 HydrophobicContact CE2-CB 4.42Å; F190-N225 HydrophobicContact CG-CB 3.4Å; F190-N225 VanDerWaalsContact CG-CB 3.4Å; F190-N225 HydrophobicContact CZ-CB 4.4Å; F190-D228 HydrophobicContact CD1-CB 4.01Å; F190-D228 HydrophobicContact CE1-CB 4.42Å |
| 191 | R | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -107.7 | 134.8 | 178.5 | -71.5 | -78.2 | 168.3 | -179.6 | -8 | 110.2 | M187 A188 H193 N194 L197 C213 A214 D228 E276 | M187-R191 PolarHBondContact O-N 3.45Å; A188-R191 PolarHBondContact O-N 3.49Å; A188-R191 VanDerWaalsContact O-O 3.12Å; R191-H193 PolarHBondContact O-N 3.42Å; R191-N194 VanDerWaalsContact O-CA 3.3Å; R191-N194 WeakPolarHBondContact O-CA 3.28Å; R191-N194 PolarHBondContact O-N 2.92Å; R191-L197 HydrophobicContact CG-CD1 4.2Å; R191-L197 VanDerWaalsContact NE-CD1 3.26Å; R191-C213 PolarHBondContact NH1-SG 3.18Å; R191-C213 VanDerWaalsContact NH1-SG 3.44Å; R191-A214 VanDerWaalsContact CD-O 3.26Å; R191-A214 WeakPolarHBondContact CD-O 3.39Å; R191-A214 PolarHBondContact NH1-O 3.43Å; R191-D228 IonicContact CZ-OD1 2.78Å; R191-D228 IonicContact CZ-OD2 3.19Å; R191-D228 IonicContact NE-OD1 2.76Å; R191-D228 PolarHBondContact NE-OD1 3.29Å; R191-D228 IonicContact NE-OD2 3.56Å; R191-D228 VanDerWaalsContact NH2-CG 3.34Å; R191-D228 IonicContact NH2-OD1 3.22Å; R191-D228 PolarHBondContact NH2-OD1 3.37Å; R191-D228 VanDerWaalsContact NH2-OD1 3.09Å; R191-D228 IonicContact NH2-OD2 3.48Å; R191-D228 PolarHBondContact NH2-OD2 3.12Å; R191-E276 IonicContact CZ-OE1 3Å; R191-E276 IonicContact NH1-OE1 2.74Å; R191-E276 PolarHBondContact NH1-OE1 3.46Å; R191-E276 IonicContact NH2-OE1 2.68Å; R191-E276 PolarHBondContact NH2-OE1 2.52Å |
| 192 | S | 97.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 26 Ų | 26 | 13% | 0.133 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -56.7 | 135.5 | -177.1 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | N194 R195 A214 Q215 | S192-N194 PolarHBondContact O-N 3.09Å; S192-N194 VanDerWaalsContact O-N 3.16Å; S192-R195 PolarHBondContact O-N 3.37Å; S192-R195 VanDerWaalsContact O-N 3.12Å; S192-A214 VanDerWaalsContact O-CB 3.27Å; S192-A214 WeakPolarHBondContact O-CB 3.43Å; S192-Q215 PolarHBondContact N-O 3.04Å |
| 193 | H | 97.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 21.6 Ų | 21.6 | 47% | 0.468 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | 55.6 | 24.6 | -172.9 | -56.3 | 93 | 0 | 0 | 0 | 114.8 | C166 R191 R195 D355 W357 | C166-H193 PolarHBondContact SG-O 2.7Å; C166-H193 VanDerWaalsContact SG-O 3.34Å; R191-H193 PolarHBondContact O-N 3.42Å; H193-R195 HydrophobicContact CB-CG 4.2Å; H193-R195 PolarHBondContact O-N 2.67Å; H193-D355 IonicContact CE1-OD1 2.61Å; H193-D355 PolarHBondContact CE1-OD1 2.97Å; H193-D355 IonicContact ND1-OD1 3.21Å; H193-D355 PolarHBondContact ND1-OD1 2.91Å; H193-W357 HydrophobicContact CB-CZ3 4.25Å; H193-W357 AromaticContact CD2-CH2 3.79Å; H193-W357 AromaticContact CE1-CH2 3.68Å; H193-W357 AromaticContact CG-CH2 3.84Å; H193-W357 AromaticContact CG-CZ3 3.96Å; H193-W357 AromaticContact ND1-CH2 3.78Å; H193-W357 AromaticContact NE2-CH2 3.69Å |
| 194 | N | 98.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 26.5 Ų | 26.5 | 36% | 0.358 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | 57.4 | 20.1 | -172.6 | -62.4 | -6 | 0 | 0 | 0 | 114.8 | I165 C166 A188 R191 S192 F196 | I165-N194 WeakPolarHBondContact O-CB 3.45Å; I165-N194 PolarHBondContact O-ND2 3.44Å; C166-N194 HydrophobicContact CB-CB 4.23Å; C166-N194 WeakPolarHBondContact CB-O 3.28Å; A188-N194 HydrophobicContact CB-CB 4.27Å; A188-N194 WeakPolarHBondContact O-CA 3.39Å; A188-N194 PolarHBondContact O-OD1 2.93Å; R191-N194 VanDerWaalsContact O-CA 3.3Å; R191-N194 WeakPolarHBondContact O-CA 3.28Å; R191-N194 PolarHBondContact O-N 2.92Å; S192-N194 PolarHBondContact O-N 3.09Å; S192-N194 VanDerWaalsContact O-N 3.16Å; N194-F196 VanDerWaalsContact C-N 3.27Å; N194-F196 VanDerWaalsContact O-CD1 3.3Å; N194-F196 WeakPolarHBondContact O-CD1 3.31Å; N194-F196 PolarHBondContact O-N 3.06Å |
| 195 | R | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -81.2 | 74.7 | -175.9 | -69.2 | 169.6 | 70.1 | 81.1 | 1.2 | 110.6 | C166 T168 Y169 S192 H193 C213 A214 D355 G356 F392 | C166-R195 WeakPolarHBondContact SG-CG 3.4Å; T168-R195 VanDerWaalsContact CB-NH1 3.33Å; T168-R195 PolarHBondContact O-NH1 3.48Å; T168-R195 WeakPolarHBondContact OG1-CD 3.41Å; T168-R195 PolarHBondContact OG1-NH1 2.89Å; Y169-R195 HydrophobicContact CD1-CB 4.39Å; Y169-R195 HydrophobicContact CD1-CG 4Å; Y169-R195 HydrophobicContact CE1-CB 3.77Å; Y169-R195 HydrophobicContact CE1-CG 3.82Å; Y169-R195 HydrophobicContact CE2-CB 4.32Å; Y169-R195 PolarHBondContact OH-O 3.1Å; S192-R195 PolarHBondContact O-N 3.37Å; S192-R195 VanDerWaalsContact O-N 3.12Å; H193-R195 HydrophobicContact CB-CG 4.2Å; H193-R195 PolarHBondContact O-N 2.67Å; R195-C213 WeakPolarHBondContact O-CA 3.33Å; R195-C213 WeakPolarHBondContact O-CB 3.26Å; R195-A214 HydrophobicContact CB-CB 3.76Å; R195-A214 PolarHBondContact O-N 3.3Å; R195-D355 WeakPolarHBondContact CD-O 3.33Å; R195-D355 PolarHBondContact NE-O 3.03Å; R195-G356 PolarHBondContact NH2-O 3.22Å; R195-F392 PolarHBondContact NH1-O 3.37Å; R195-F392 PolarHBondContact NH2-O 2.89Å | ||
| 196 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -62.5 | 170.9 | -176.7 | 58.9 | -98 | 0 | 0 | 0 | 114.1 | I165 C166 Y169 H173 I184 M187 A188 N194 T198 | I165-F196 HydrophobicContact CB-CE1 4.37Å; I165-F196 HydrophobicContact CG2-CD1 3.81Å; I165-F196 HydrophobicContact CG2-CE1 3.71Å; C166-F196 HydrophobicContact CB-CE1 4.35Å; Y169-F196 HydrophobicContact CD2-CD1 4.2Å; Y169-F196 AromaticContact CD2-CE1 3.9Å; Y169-F196 HydrophobicContact CD2-CE1 3.9Å; Y169-F196 HydrophobicContact CD2-CE2 4.37Å; Y169-F196 AromaticContact CD2-CZ 4Å; Y169-F196 HydrophobicContact CD2-CZ 4Å; Y169-F196 HydrophobicContact CE2-CD1 4.23Å; Y169-F196 HydrophobicContact CE2-CD2 4.21Å; Y169-F196 HydrophobicContact CE2-CE1 4.32Å; Y169-F196 HydrophobicContact CE2-CE2 4.3Å; Y169-F196 HydrophobicContact CE2-CG 4.17Å; Y169-F196 HydrophobicContact CE2-CZ 4.36Å; Y169-F196 VanDerWaalsContact CE2-O 3.24Å; Y169-F196 WeakPolarHBondContact CE2-O 3.37Å; Y169-F196 PolarHBondContact OH-O 2.96Å; H173-F196 HydrophobicContact CB-CE2 4.22Å; H173-F196 AromaticContact CD2-CE2 3.87Å; H173-F196 AromaticContact CD2-CZ 3.47Å; H173-F196 VanDerWaalsContact CD2-CZ 3.47Å; H173-F196 WeakPolarHBondContact CD2-CZ 3.37Å; H173-F196 AromaticContact CE1-CE2 3.98Å; H173-F196 AromaticContact CE1-CZ 3.83Å; H173-F196 AromaticContact CG-CE2 3.67Å; H173-F196 AromaticContact CG-CZ 3.78Å; H173-F196 AromaticContact ND1-CE2 3.76Å; H173-F196 AromaticContact NE2-CZ 3.47Å; H173-F196 WeakPolarHBondContact NE2-CZ 3.43Å; I184-F196 HydrophobicContact CG2-CD1 4.17Å; I184-F196 HydrophobicContact CG2-CD2 3.74Å; I184-F196 HydrophobicContact CG2-CE1 4.2Å; I184-F196 HydrophobicContact CG2-CE2 3.76Å; I184-F196 HydrophobicContact CG2-CG 3.96Å; I184-F196 HydrophobicContact CG2-CZ 4Å; M187-F196 HydrophobicContact SD-CB 4.05Å; A188-F196 HydrophobicContact CB-CB 4.13Å; A188-F196 HydrophobicContact CB-CD1 3.94Å; A188-F196 HydrophobicContact CB-CG 4.45Å; N194-F196 VanDerWaalsContact C-N 3.27Å; N194-F196 VanDerWaalsContact O-CD1 3.3Å; N194-F196 WeakPolarHBondContact O-CD1 3.31Å; N194-F196 PolarHBondContact O-N 3.06Å; F196-T198 PolarHBondContact O-N 3.33Å | ||
| 197 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -73.4 | 127 | 179.7 | -75.4 | 66.3 | 0 | 0 | 0 | 111 | M187 R191 C213 D228 F231 L232 M350 | M187-L197 HydrophobicContact SD-CB 4Å; M187-L197 HydrophobicContact SD-CD1 3.95Å; M187-L197 HydrophobicContact SD-CG 4.46Å; R191-L197 HydrophobicContact CG-CD1 4.2Å; R191-L197 VanDerWaalsContact NE-CD1 3.26Å; L197-C213 HydrophobicContact CD1-CB 3.91Å; L197-C213 HydrophobicContact CG-CB 4.12Å; L197-D228 WeakPolarHBondContact CD1-OD1 3.44Å; L197-F231 HydrophobicContact CB-CD1 3.71Å; L197-F231 HydrophobicContact CB-CE1 3.46Å; L197-F231 VanDerWaalsContact CB-CE1 3.46Å; L197-F231 HydrophobicContact CB-CZ 4.15Å; L197-F231 HydrophobicContact CD2-CD1 3.65Å; L197-F231 HydrophobicContact CD2-CE1 4.11Å; L197-F231 HydrophobicContact CG-CD1 4.35Å; L197-F231 HydrophobicContact CG-CE1 4.45Å; L197-F231 WeakPolarHBondContact O-CZ 3.3Å; L197-L232 HydrophobicContact CD2-CD1 4.1Å; L197-L232 HydrophobicContact CD2-CD2 3.53Å; L197-L232 HydrophobicContact CD2-CG 3.61Å; L197-M350 HydrophobicContact CD1-CE 4.16Å; L197-M350 HydrophobicContact CD2-CE 3.92Å; L197-M350 HydrophobicContact CD2-SD 4.01Å; L197-M350 HydrophobicContact CG-CE 4.06Å | ||
| 198 | T | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | Y169 H173 F196 L211 R212 F392 | Y169-T198 HydrophobicContact CE2-CG2 4.26Å; H173-T198 WeakPolarHBondContact ND1-CB 3.37Å; H173-T198 PolarHBondContact ND1-OG1 3.44Å; H173-T198 VanDerWaalsContact ND1-OG1 3.17Å; F196-T198 PolarHBondContact O-N 3.33Å; T198-L211 CarbonylContact O-C 3.58Å; T198-L211 VanDerWaalsContact O-CA 3.24Å; T198-L211 WeakPolarHBondContact O-CA 3.49Å; T198-R212 HydrophobicContact CG2-CG 4.1Å; T198-R212 PolarHBondContact N-O 3.45Å; T198-R212 PolarHBondContact O-N 3.33Å; T198-F392 HydrophobicContact CG2-CE1 3.57Å; T198-F392 HydrophobicContact CG2-CZ 3.55Å |
| 199 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 138.7 | 168 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | F150 W154 I174 W201 V209 L211 | F150-V199 HydrophobicContact CE1-CG1 3.86Å; F150-V199 HydrophobicContact CZ-CG1 3.63Å; W154-V199 HydrophobicContact CE3-CG2 4.2Å; W154-V199 HydrophobicContact CH2-CG2 4.14Å; W154-V199 HydrophobicContact CZ3-CG2 3.53Å; I174-V199 HydrophobicContact CB-CB 4.11Å; I174-V199 HydrophobicContact CG2-CB 4.07Å; I174-V199 HydrophobicContact CG2-CG1 4.45Å; I174-V199 PolarHBondContact O-N 2.96Å; V199-W201 WeakPolarHBondContact CG1-O 3.43Å; V199-V209 HydrophobicContact CG1-CB 3.9Å; V199-V209 HydrophobicContact CG1-CG1 4.21Å; V199-V209 HydrophobicContact CG2-CB 4.26Å; V199-V209 HydrophobicContact CG2-CG2 4.09Å; V199-L211 HydrophobicContact CG2-CD2 3.79Å; V199-L211 HydrophobicContact CG2-CG 4.03Å |
| 200 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -38 | 171.6 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | L210 R212 R387 E388 F392 | V200-L210 HydrophobicContact CG2-CB 4.34Å; V200-L210 HydrophobicContact CG2-CD2 4.11Å; V200-L210 HydrophobicContact CG2-CG 3.97Å; V200-L210 WeakPolarHBondContact CG2-O 3.5Å; V200-L210 PolarHBondContact N-O 3.41Å; V200-R212 VanDerWaalsContact CG1-CD 3.49Å; V200-R212 HydrophobicContact CG1-CG 3.73Å; V200-R387 VanDerWaalsContact O-CZ 3.23Å; V200-R387 PolarHBondContact O-NH1 3.01Å; V200-R387 PolarHBondContact O-NH2 2.88Å; V200-E388 WeakPolarHBondContact CG1-OE1 3.33Å; V200-F392 HydrophobicContact CG1-CD2 4.34Å; V200-F392 HydrophobicContact CG1-CE2 3.51Å; V200-F392 HydrophobicContact CG1-CZ 3.8Å |
| 201 | W | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.7 | -176.8 | -171.2 | 87 | 0 | 0 | 0 | 112.5 | M148 V199 V209 L210 L342 E343 Q368 A371 D372 Y375 | M148-W201 HydrophobicContact CE-CB 4.46Å; M148-W201 VanDerWaalsContact CE-CD1 3.45Å; M148-W201 HydrophobicContact CE-CG 4.22Å; M148-W201 HydrophobicContact SD-CB 4.4Å; M148-W201 HydrophobicContact SD-CG 4.2Å; V199-W201 WeakPolarHBondContact CG1-O 3.43Å; W201-V209 CarbonylContact O-C 3.33Å; W201-V209 WeakPolarHBondContact O-CA 3.39Å; W201-L210 HydrophobicContact CB-CB 4.08Å; W201-L210 HydrophobicContact CB-CD2 4.46Å; W201-L210 PolarHBondContact N-O 3.08Å; W201-L210 PolarHBondContact O-N 3.49Å; W201-L342 HydrophobicContact CE3-CD1 4.09Å; W201-L342 HydrophobicContact CZ3-CB 4.1Å; W201-L342 HydrophobicContact CZ3-CD1 4.01Å; W201-L342 HydrophobicContact CZ3-CG 4.49Å; W201-E343 HydrophobicContact CH2-CG 4.4Å; W201-E343 VanDerWaalsContact CH2-OE1 3.27Å; W201-E343 WeakPolarHBondContact CH2-OE1 3.22Å; W201-Q368 HydrophobicContact CB-CG 3.75Å; W201-Q368 HydrophobicContact CD2-CG 4.38Å; W201-Q368 HydrophobicContact CG-CG 3.73Å; W201-A371 HydrophobicContact CH2-CB 3.78Å; W201-A371 HydrophobicContact CZ2-CB 4.11Å; W201-A371 HydrophobicContact CZ3-CB 4.38Å; W201-D372 HydrophobicContact CZ2-CB 3.85Å; W201-D372 PolarHBondContact NE1-OD2 2.77Å; W201-Y375 AromaticContact CD1-CE2 3.63Å; W201-Y375 AromaticContact NE1-CE2 3.77Å |
| 202 | R | 97.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 21.8 Ų | 21.8 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131.7 | 175.4 | 175.1 | 177.2 | -177.9 | -83.1 | 14.7 | 110.2 | M148 N149 F150 D151 Q204 A208 V209 | M148-R202 HydrophobicContact CB-CB 4.22Å; M148-R202 PolarHBondContact O-NH1 3.33Å; M148-R202 VanDerWaalsContact O-NH1 3.11Å; M148-R202 PolarHBondContact SD-N 3.41Å; N149-R202 VanDerWaalsContact O-CZ 3.29Å; N149-R202 PolarHBondContact O-NH1 2.77Å; F150-R202 HydrophobicContact CD1-CB 4.39Å; F150-R202 HydrophobicContact CD2-CB 4.4Å; F150-R202 HydrophobicContact CE1-CB 3.73Å; F150-R202 HydrophobicContact CE1-CG 4.3Å; F150-R202 HydrophobicContact CE2-CB 3.78Å; F150-R202 HydrophobicContact CZ-CB 3.4Å; F150-R202 VanDerWaalsContact CZ-CB 3.4Å; F150-R202 HydrophobicContact CZ-CG 4.4Å; D151-R202 IonicContact OD2-CZ 3.27Å; D151-R202 IonicContact OD2-NH2 2.7Å; D151-R202 PolarHBondContact OD2-NH2 3.16Å; D151-R202 VanDerWaalsContact OD2-NH2 3.07Å; R202-Q204 PolarHBondContact O-N 3.35Å; R202-A208 WeakPolarHBondContact CA-O 2.99Å; R202-V209 HydrophobicContact CB-CG1 3.98Å; R202-V209 HydrophobicContact CG-CG1 3.97Å |
| 203 | S | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -61.2 | 131 | 172.2 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | V205 T206 G207 A208 E343 | S203-V205 VanDerWaalsContact C-N 3.34Å; S203-V205 PolarHBondContact OG-N 3.01Å; S203-V205 VanDerWaalsContact OG-N 3.09Å; S203-T206 WeakPolarHBondContact CB-OG1 3.45Å; S203-T206 PolarHBondContact OG-N 2.76Å; S203-T206 PolarHBondContact OG-OG1 3.04Å; S203-T206 VanDerWaalsContact OG-OG1 3.12Å; S203-G207 VanDerWaalsContact O-CA 3.25Å; S203-G207 WeakPolarHBondContact O-CA 3.28Å; S203-G207 PolarHBondContact O-N 3.28Å; S203-G207 VanDerWaalsContact O-N 3.12Å; S203-A208 WeakPolarHBondContact CB-O 3.45Å; S203-A208 PolarHBondContact N-O 3.21Å; S203-E343 WeakPolarHBondContact CB-OE1 3.4Å; S203-E343 PolarHBondContact OG-OE1 2.93Å; S203-E343 PolarHBondContact OG-OE2 3.4Å | ||
| 204 | Q | 93.8 | Very high | 97.2 | Very high | 113 Ų | 113 | 16.1 Ų | 16.1 | 53% | 0.528 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.4 | 168.7 | -59.8 | -166.4 | 55.1 | 0 | 0 | 112.3 | R147 R202 | R147-Q204 PolarHBondContact O-NE2 2.68Å; R147-Q204 PolarHBondContact O-OE1 3.37Å; R202-Q204 PolarHBondContact O-N 3.35Å |
| 205 | V | 91.7 | Very high | 97.2 | Very high | 98 Ų | 98 | 13.4 Ų | 13.4 | 59% | 0.594 | 7% | 0.071 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -44.8 | 180 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | S203 E343 | S203-V205 VanDerWaalsContact C-N 3.34Å; S203-V205 PolarHBondContact OG-N 3.01Å; S203-V205 VanDerWaalsContact OG-N 3.09Å; V205-E343 WeakPolarHBondContact CG2-OE2 3.16Å |
| 206 | T | 93.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 13.4 Ų | 13.4 | 14% | 0.141 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -18.7 | -173.7 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | S203 A208 P240 L342 E343 A346 | S203-T206 WeakPolarHBondContact CB-OG1 3.45Å; S203-T206 PolarHBondContact OG-N 2.76Å; S203-T206 PolarHBondContact OG-OG1 3.04Å; S203-T206 VanDerWaalsContact OG-OG1 3.12Å; T206-A208 PolarHBondContact O-N 3.5Å; T206-A208 VanDerWaalsContact OG1-CB 3.3Å; T206-A208 WeakPolarHBondContact OG1-CB 3.27Å; T206-A208 PolarHBondContact OG1-N 3.24Å; T206-A208 VanDerWaalsContact OG1-N 3.15Å; T206-P240 WeakPolarHBondContact O-CG 3.45Å; T206-L342 WeakPolarHBondContact CG2-O 3.4Å; T206-L342 PolarHBondContact OG1-O 3.07Å; T206-E343 WeakPolarHBondContact CG2-O 3.11Å; T206-A346 HydrophobicContact CG2-CB 3.86Å |
| 207 | G | 94.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 5% | 0.052 | 9% | 0.085 | C | C | . | . | trans | 71.6 | 1.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S203 | S203-G207 VanDerWaalsContact O-CA 3.25Å; S203-G207 WeakPolarHBondContact O-CA 3.28Å; S203-G207 PolarHBondContact O-N 3.28Å; S203-G207 VanDerWaalsContact O-N 3.12Å | ||
| 208 | A | 95.7 | Very high | 97 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | trans | -65.9 | 149.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R202 S203 T206 L342 | R202-A208 WeakPolarHBondContact CA-O 2.99Å; S203-A208 WeakPolarHBondContact CB-O 3.45Å; S203-A208 PolarHBondContact N-O 3.21Å; T206-A208 PolarHBondContact O-N 3.5Å; T206-A208 VanDerWaalsContact OG1-CB 3.3Å; T206-A208 WeakPolarHBondContact OG1-CB 3.27Å; T206-A208 PolarHBondContact OG1-N 3.24Å; T206-A208 VanDerWaalsContact OG1-N 3.15Å; A208-L342 HydrophobicContact CB-CD2 4.3Å | ||
| 209 | V | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 146.5 | -175.3 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | F150 W154 V199 W201 R202 L211 V235 L342 P348 V349 | F150-V209 HydrophobicContact CE1-CG1 4.4Å; W154-V209 HydrophobicContact CH2-CG1 3.96Å; W154-V209 HydrophobicContact CH2-CG2 3.95Å; W154-V209 HydrophobicContact CZ2-CG1 3.8Å; W154-V209 HydrophobicContact CZ2-CG2 4.46Å; V199-V209 HydrophobicContact CG1-CB 3.9Å; V199-V209 HydrophobicContact CG1-CG1 4.21Å; V199-V209 HydrophobicContact CG2-CB 4.26Å; V199-V209 HydrophobicContact CG2-CG2 4.09Å; W201-V209 CarbonylContact O-C 3.33Å; W201-V209 WeakPolarHBondContact O-CA 3.39Å; R202-V209 HydrophobicContact CB-CG1 3.98Å; R202-V209 HydrophobicContact CG-CG1 3.97Å; V209-L211 HydrophobicContact CG2-CD1 3.88Å; V209-L211 HydrophobicContact CG2-CG 4.24Å; V209-V235 HydrophobicContact CG2-CG1 3.9Å; V209-L342 WeakPolarHBondContact O-CD2 3.44Å; V209-P348 HydrophobicContact CG2-CB 4.4Å; V209-P348 WeakPolarHBondContact O-CA 3.39Å; V209-V349 PolarHBondContact O-N 3.32Å |
| 210 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.7 | 168.8 | -179.2 | 61.7 | 0 | 0 | 0 | 109.4 | V200 W201 I338 L342 V349 V351 Q368 | V200-L210 HydrophobicContact CG2-CB 4.34Å; V200-L210 HydrophobicContact CG2-CD2 4.11Å; V200-L210 HydrophobicContact CG2-CG 3.97Å; V200-L210 WeakPolarHBondContact CG2-O 3.5Å; V200-L210 PolarHBondContact N-O 3.41Å; W201-L210 HydrophobicContact CB-CB 4.08Å; W201-L210 HydrophobicContact CB-CD2 4.46Å; W201-L210 PolarHBondContact N-O 3.08Å; W201-L210 PolarHBondContact O-N 3.49Å; L210-I338 HydrophobicContact CD1-CG2 3.9Å; L210-L342 HydrophobicContact CB-CD1 4.03Å; L210-L342 HydrophobicContact CB-CD2 4.31Å; L210-L342 HydrophobicContact CD1-CD1 4.41Å; L210-L342 HydrophobicContact CD2-CD1 4.49Å; L210-V349 CarbonylContact C-O 3.54Å; L210-V349 VanDerWaalsContact CA-O 3.31Å; L210-V349 WeakPolarHBondContact CA-O 3.42Å; L210-V349 HydrophobicContact CD1-CB 4.15Å; L210-V349 HydrophobicContact CD1-CG1 4.4Å; L210-V351 HydrophobicContact CD1-CG1 4.17Å; L210-V351 HydrophobicContact CD1-CG2 4.11Å; L210-Q368 HydrophobicContact CD2-CG 4.01Å |
| 211 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 153.1 | 177.3 | -49.6 | 101.3 | 0 | 0 | 0 | 111.1 | T198 V199 V209 F231 V235 L254 V349 M350 V351 | T198-L211 CarbonylContact O-C 3.58Å; T198-L211 VanDerWaalsContact O-CA 3.24Å; T198-L211 WeakPolarHBondContact O-CA 3.49Å; V199-L211 HydrophobicContact CG2-CD2 3.79Å; V199-L211 HydrophobicContact CG2-CG 4.03Å; V209-L211 HydrophobicContact CG2-CD1 3.88Å; V209-L211 HydrophobicContact CG2-CG 4.24Å; L211-F231 HydrophobicContact CD2-CE1 3.76Å; L211-V235 HydrophobicContact CD1-CG1 3.88Å; L211-V235 HydrophobicContact CD2-CB 4.47Å; L211-V235 HydrophobicContact CD2-CG1 3.92Å; L211-V235 HydrophobicContact CD2-CG2 3.75Å; L211-V235 HydrophobicContact CG-CG1 4.49Å; L211-L254 HydrophobicContact CD1-CD1 4.44Å; L211-V349 WeakPolarHBondContact CD1-O 3.27Å; L211-V349 PolarHBondContact N-O 3.31Å; L211-M350 HydrophobicContact CB-CB 4.34Å; L211-M350 HydrophobicContact CD1-CB 4.34Å; L211-M350 WeakPolarHBondContact O-CA 3.42Å; L211-V351 VanDerWaalsContact O-CG2 3.25Å; L211-V351 WeakPolarHBondContact O-CG2 3.3Å; L211-V351 PolarHBondContact O-N 3.41Å |
| 212 | R | 98.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.5 | 170.2 | 70.5 | -173.2 | -69.4 | 178.5 | -6.8 | 112.8 | Y169 T198 V200 V351 G356 T360 E388 F392 | Y169-R212 PolarHBondContact OH-O 3.46Å; T198-R212 HydrophobicContact CG2-CG 4.1Å; T198-R212 PolarHBondContact N-O 3.45Å; T198-R212 PolarHBondContact O-N 3.33Å; V200-R212 VanDerWaalsContact CG1-CD 3.49Å; V200-R212 HydrophobicContact CG1-CG 3.73Å; R212-V351 WeakPolarHBondContact CA-O 3.46Å; R212-V351 HydrophobicContact CB-CG2 4.1Å; R212-G356 PolarHBondContact NH2-O 3.14Å; R212-G356 VanDerWaalsContact NH2-O 3.15Å; R212-T360 HydrophobicContact CB-CG2 3.91Å; R212-E388 IonicContact CZ-OE1 3.96Å; R212-E388 PolarHBondContact NH1-O 2.98Å; R212-E388 IonicContact NH1-OE1 2.69Å; R212-E388 PolarHBondContact NH1-OE1 3.26Å; R212-E388 IonicContact NH1-OE2 3.45Å; R212-E388 PolarHBondContact NH1-OE2 3.37Å; R212-E388 PolarHBondContact NH2-O 3.15Å; R212-F392 HydrophobicContact CG-CE1 4.41Å |
| 213 | C | 98.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -161.5 | -179 | 174.8 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | Y169 R191 R195 L197 M350 V351 H352 G356 | Y169-C213 WeakPolarHBondContact OH-CA 3.47Å; R191-C213 PolarHBondContact NH1-SG 3.18Å; R191-C213 VanDerWaalsContact NH1-SG 3.44Å; R195-C213 WeakPolarHBondContact O-CA 3.33Å; R195-C213 WeakPolarHBondContact O-CB 3.26Å; L197-C213 HydrophobicContact CD1-CB 3.91Å; L197-C213 HydrophobicContact CG-CB 4.12Å; C213-M350 WeakPolarHBondContact SG-CE 3.49Å; C213-V351 PolarHBondContact N-O 3.44Å; C213-H352 VanDerWaalsContact O-CB 3.31Å; C213-H352 WeakPolarHBondContact O-CB 3.47Å; C213-G356 WeakPolarHBondContact O-CA 3.22Å | ||
| 214 | A | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -91.2 | 174.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R191 S192 R195 | R191-A214 VanDerWaalsContact CD-O 3.26Å; R191-A214 WeakPolarHBondContact CD-O 3.39Å; R191-A214 PolarHBondContact NH1-O 3.43Å; S192-A214 VanDerWaalsContact O-CB 3.27Å; S192-A214 WeakPolarHBondContact O-CB 3.43Å; R195-A214 HydrophobicContact CB-CB 3.76Å; R195-A214 PolarHBondContact O-N 3.3Å | ||
| 215 | Q | 98.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | trans | -56.9 | 152.4 | 175.1 | 70.1 | -175 | -32.9 | 0 | 0 | 113 | S192 G274 C353 T354 | S192-Q215 PolarHBondContact N-O 3.04Å; Q215-G274 PolarHBondContact OE1-O 3.38Å; Q215-C353 WeakPolarHBondContact CB-O 3.42Å; Q215-T354 WeakPolarHBondContact CB-O 3.25Å; Q215-T354 VanDerWaalsContact CG-O 3.31Å; Q215-T354 WeakPolarHBondContact CG-O 3.15Å; Q215-T354 PolarHBondContact N-O 3.17Å; Q215-T354 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 216 | P | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -74.5 | 145 | 168.2 | 32.4 | -33.8 | 0 | 0 | 0 | 111.4 | F190 V218 G273 G274 E276 | F190-P216 HydrophobicContact CD1-CB 4.17Å; F190-P216 HydrophobicContact CE1-CB 3.48Å; F190-P216 VanDerWaalsContact CE1-CB 3.48Å; F190-P216 HydrophobicContact CZ-CB 3.77Å; F190-P216 CarbonylContact O-C 3.02Å; F190-P216 WeakPolarHBondContact O-CA 3.41Å; P216-V218 HydrophobicContact CB-CG2 3.76Å; P216-V218 HydrophobicContact CG-CG2 3.71Å; P216-V218 PolarHBondContact O-N 3.42Å; P216-G273 CarbonylContact O-C 3.5Å; P216-G274 PolarHBondContact O-N 3.23Å; P216-E276 HydrophobicContact CG-CG 4.23Å |
| 217 | C | 96.9 | Very high | 95.7 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 30% | 0.297 | 19% | 0.19 | S | C | . | . | trans | -84.7 | 57.2 | 179.4 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | F190 G272 | F190-C217 HydrophobicContact CD2-CB 4.36Å; F190-C217 WeakPolarHBondContact O-CB 3.48Å; F190-C217 PolarHBondContact O-N 2.93Å; C217-G272 CarbonylContact C-O 3.59Å; C217-G272 VanDerWaalsContact C-O 3.24Å; C217-G272 VanDerWaalsContact CA-O 3.27Å; C217-G272 WeakPolarHBondContact CA-O 3.37Å | ||
| 218 | V | 95.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -72.3 | -36.5 | -173.8 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | F190 P216 C222 S223 G273 Y277 | F190-V218 HydrophobicContact CE2-CG2 4.5Å; F190-V218 HydrophobicContact CZ-CG2 3.95Å; P216-V218 HydrophobicContact CB-CG2 3.76Å; P216-V218 HydrophobicContact CG-CG2 3.71Å; P216-V218 PolarHBondContact O-N 3.42Å; V218-C222 PolarHBondContact O-N 3.09Å; V218-S223 WeakPolarHBondContact O-CB 3.37Å; V218-S223 PolarHBondContact O-N 3.26Å; V218-G273 PolarHBondContact N-O 3.27Å; V218-Y277 HydrophobicContact CG1-CD2 4.1Å; V218-Y277 HydrophobicContact CG1-CE2 3.78Å | ||
| 219 | G | 92.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -170.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | M221 R269 G272 G273 | G219-M221 VanDerWaalsContact C-N 3.27Å; G219-M221 PolarHBondContact O-N 2.79Å; G219-R269 CarbonylContact C-O 3.52Å; G219-R269 WeakPolarHBondContact CA-O 3.33Å; G219-R269 WeakPolarHBondContact O-CD 3.32Å; G219-R269 WeakPolarHBondContact O-CG 3.38Å; G219-R269 PolarHBondContact O-NE 3.04Å; G219-G272 PolarHBondContact N-O 2.82Å; G219-G273 PolarHBondContact N-O 2.92Å |
| 220 | L | 89.1 | Confident | 95.9 | Very high | 113 Ų | 113 | 41.1 Ų | 41.1 | 59% | 0.592 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -32.8 | 176.4 | -68 | 176.1 | 0 | 0 | 0 | 112.3 | C222 R269 I270 | L220-C222 VanDerWaalsContact C-N 3.27Å; L220-C222 PolarHBondContact O-N 2.94Å; L220-R269 PolarHBondContact O-NH2 2.77Å; L220-I270 HydrophobicContact CD2-CB 4.44Å; L220-I270 HydrophobicContact CD2-CG1 4.25Å |
| 221 | M | 89.4 | Confident | 95.8 | Very high | 174 Ų | 174 | 41.1 Ų | 41.1 | 86% | 0.857 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -3.8 | -176.1 | -65.5 | -58.7 | -160.6 | 0 | 0 | 115.5 | G219 S223 | G219-M221 VanDerWaalsContact C-N 3.27Å; G219-M221 PolarHBondContact O-N 2.79Å; M221-S223 VanDerWaalsContact C-N 3.3Å; M221-S223 PolarHBondContact O-N 3.46Å |
| 222 | C | 88.6 | Confident | 95.7 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 40.6 | -171.9 | -71.1 | 0 | 0 | 0 | 0 | 113.1 | V218 L220 R269 Y280 | V218-C222 PolarHBondContact O-N 3.09Å; L220-C222 VanDerWaalsContact C-N 3.27Å; L220-C222 PolarHBondContact O-N 2.94Å; C222-R269 VanDerWaalsContact SG-CZ 3.57Å; C222-R269 PolarHBondContact SG-NH2 3Å; C222-Y280 HydrophobicContact CB-CE2 4.49Å |
| 223 | S | 91.7 | Very high | 95.6 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | trans | -54.3 | 139 | 172.9 | -59 | 0 | 0 | 0 | 0 | 111 | F190 V218 M221 | F190-S223 WeakPolarHBondContact CE2-O 3.26Å; F190-S223 WeakPolarHBondContact CZ-O 3.31Å; V218-S223 WeakPolarHBondContact O-CB 3.37Å; V218-S223 PolarHBondContact O-N 3.26Å; M221-S223 VanDerWaalsContact C-N 3.3Å; M221-S223 PolarHBondContact O-N 3.46Å | ||
| 224 | R | 95.6 | Very high | 95.5 | Very high | 128 Ų | 128 | 46.9 Ų | 46.9 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | trans | -137.1 | 159.8 | -179.9 | 62.7 | -175.8 | -67.9 | -168.8 | -0.3 | 110.3 | E229 Y280 | R224-E229 IonicContact CZ-OE1 3.92Å; R224-E229 IonicContact CZ-OE2 3.65Å; R224-E229 IonicContact NE-OE1 2.68Å; R224-E229 PolarHBondContact NE-OE1 3.07Å; R224-E229 IonicContact NH2-OE1 3.52Å; R224-E229 PolarHBondContact NH2-OE1 2.86Å; R224-E229 IonicContact NH2-OE2 3.07Å; R224-E229 PolarHBondContact NH2-OE2 3.28Å; R224-Y280 HydrophobicContact CB-CD2 3.88Å; R224-Y280 HydrophobicContact CB-CE2 4.2Å; R224-Y280 HydrophobicContact CB-CG 4.46Å | ||
| 225 | N | 96.9 | Very high | 95.4 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | trans | -136.3 | 117.2 | -173.3 | -177.1 | -70.6 | 0 | 0 | 0 | 110.3 | N186 F190 Y227 D228 E229 | N186-N225 PolarHBondContact O-ND2 3.33Å; F190-N225 HydrophobicContact CB-CB 3.7Å; F190-N225 HydrophobicContact CD1-CB 3.43Å; F190-N225 VanDerWaalsContact CD1-CB 3.43Å; F190-N225 HydrophobicContact CD2-CB 3.94Å; F190-N225 HydrophobicContact CE1-CB 3.94Å; F190-N225 HydrophobicContact CE2-CB 4.42Å; F190-N225 HydrophobicContact CG-CB 3.4Å; F190-N225 VanDerWaalsContact CG-CB 3.4Å; F190-N225 HydrophobicContact CZ-CB 4.4Å; N225-Y227 PolarHBondContact O-N 3.08Å; N225-Y227 WeakPolarHBondContact OD1-CA 3.29Å; N225-Y227 VanDerWaalsContact OD1-CB 3.28Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.41Å; N225-Y227 PolarHBondContact OD1-N 2.77Å; N225-D228 HydrophobicContact CB-CB 4Å; N225-D228 PolarHBondContact O-N 2.88Å; N225-D228 PolarHBondContact OD1-N 2.83Å; N225-E229 WeakPolarHBondContact O-CG 3.47Å; N225-E229 PolarHBondContact O-N 3.15Å; N225-E229 VanDerWaalsContact O-N 3.15Å | ||
| 226 | E | 97 | Very high | 95.2 | Very high | 123 Ų | 123 | 47.7 Ų | 47.7 | 58% | 0.575 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.8 | -28.4 | -176.3 | 64.5 | -175.3 | 174.1 | 0 | 0 | 113.3 | K230 | E226-K230 WeakPolarHBondContact O-CB 3.45Å; E226-K230 PolarHBondContact O-N 3.28Å |
| 227 | Y | 97.9 | Very high | 95 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.5 | -39.1 | -179.7 | -53.3 | -87.2 | 0 | 0 | 0 | 111.7 | D183 N186 N225 F231 | D183-Y227 HydrophobicContact CB-CD1 3.99Å; D183-Y227 VanDerWaalsContact OD1-CD1 3.23Å; D183-Y227 WeakPolarHBondContact OD1-CD1 3.44Å; N186-Y227 HydrophobicContact CB-CD1 4Å; N186-Y227 HydrophobicContact CB-CD2 3.46Å; N186-Y227 VanDerWaalsContact CB-CD2 3.46Å; N186-Y227 HydrophobicContact CB-CE1 4.25Å; N186-Y227 HydrophobicContact CB-CE2 3.78Å; N186-Y227 HydrophobicContact CB-CG 3.63Å; N225-Y227 PolarHBondContact O-N 3.08Å; N225-Y227 WeakPolarHBondContact OD1-CA 3.29Å; N225-Y227 VanDerWaalsContact OD1-CB 3.28Å; N225-Y227 WeakPolarHBondContact OD1-CB 3.41Å; N225-Y227 PolarHBondContact OD1-N 2.77Å; Y227-F231 WeakPolarHBondContact O-CB 3.32Å; Y227-F231 PolarHBondContact O-N 3.26Å |
| 228 | D | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 173.1 | -165.7 | 98.4 | 0 | 0 | 0 | 111.3 | M187 F190 R191 L197 N225 F231 L232 Y281 | M187-D228 HydrophobicContact CG-CB 3.93Å; F190-D228 HydrophobicContact CD1-CB 4.01Å; F190-D228 HydrophobicContact CE1-CB 4.42Å; R191-D228 IonicContact CZ-OD1 2.78Å; R191-D228 IonicContact CZ-OD2 3.19Å; R191-D228 IonicContact NE-OD1 2.76Å; R191-D228 PolarHBondContact NE-OD1 3.29Å; R191-D228 IonicContact NE-OD2 3.56Å; R191-D228 VanDerWaalsContact NH2-CG 3.34Å; R191-D228 IonicContact NH2-OD1 3.22Å; R191-D228 PolarHBondContact NH2-OD1 3.37Å; R191-D228 VanDerWaalsContact NH2-OD1 3.09Å; R191-D228 IonicContact NH2-OD2 3.48Å; R191-D228 PolarHBondContact NH2-OD2 3.12Å; L197-D228 WeakPolarHBondContact CD1-OD1 3.44Å; N225-D228 HydrophobicContact CB-CB 4Å; N225-D228 PolarHBondContact O-N 2.88Å; N225-D228 PolarHBondContact OD1-N 2.83Å; D228-F231 PolarHBondContact O-N 2.89Å; D228-L232 PolarHBondContact O-N 3.09Å; D228-Y281 VanDerWaalsContact OD2-CE1 3.3Å; D228-Y281 WeakPolarHBondContact OD2-CE1 3.46Å; D228-Y281 PolarHBondContact OD2-OH 3.1Å |
| 229 | E | 97.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 174.5 | -61.1 | 174.6 | -149.6 | 0 | 0 | 112.2 | R224 N225 F231 L232 R233 Y281 | R224-E229 IonicContact CZ-OE1 3.92Å; R224-E229 IonicContact CZ-OE2 3.65Å; R224-E229 IonicContact NE-OE1 2.68Å; R224-E229 PolarHBondContact NE-OE1 3.07Å; R224-E229 IonicContact NH2-OE1 3.52Å; R224-E229 PolarHBondContact NH2-OE1 2.86Å; R224-E229 IonicContact NH2-OE2 3.07Å; R224-E229 PolarHBondContact NH2-OE2 3.28Å; N225-E229 WeakPolarHBondContact O-CG 3.47Å; N225-E229 PolarHBondContact O-N 3.15Å; N225-E229 VanDerWaalsContact O-N 3.15Å; E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3.04Å; E229-L232 PolarHBondContact O-N 3.47Å; E229-R233 VanDerWaalsContact CB-NH1 3.26Å; E229-R233 WeakPolarHBondContact O-CG 3.29Å; E229-R233 PolarHBondContact O-N 3.46Å; E229-R233 IonicContact OE2-CZ 3.88Å; E229-R233 IonicContact OE2-NH1 3.19Å; E229-R233 PolarHBondContact OE2-NH1 3.1Å; E229-R233 IonicContact OE2-NH2 3.56Å; E229-R233 PolarHBondContact OE2-NH2 3.42Å; E229-Y281 HydrophobicContact CG-CD1 4.39Å; E229-Y281 HydrophobicContact CG-CE1 4Å |
| 230 | K | 97 | Very high | 94 | Very high | 81 Ų | 81 | 53.6 Ų | 53.6 | 35% | 0.352 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.3 | -41.2 | 175.4 | 170.5 | -176.1 | 169.1 | -175.1 | 0 | 111.4 | I179 D183 E226 R233 T234 | I179-K230 HydrophobicContact CD1-CG 4.3Å; D183-K230 IonicContact OD1-NZ 3.45Å; D183-K230 PolarHBondContact OD1-NZ 2.94Å; D183-K230 IonicContact OD2-NZ 3.53Å; D183-K230 PolarHBondContact OD2-NZ 3.08Å; E226-K230 WeakPolarHBondContact O-CB 3.45Å; E226-K230 PolarHBondContact O-N 3.28Å; K230-R233 PolarHBondContact O-N 2.92Å; K230-T234 WeakPolarHBondContact O-CB 3.44Å; K230-T234 PolarHBondContact O-N 3.01Å; K230-T234 PolarHBondContact O-OG1 2.86Å |
| 231 | F | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 178.8 | -172.3 | -89.4 | 0 | 0 | 0 | 111.4 | V175 I179 M187 L197 L211 Y227 D228 E229 R233 T234 V235 | V175-F231 HydrophobicContact CB-CE2 3.95Å; V175-F231 HydrophobicContact CB-CZ 4.28Å; V175-F231 HydrophobicContact CG1-CE2 3.87Å; V175-F231 HydrophobicContact CG1-CZ 4.03Å; I179-F231 HydrophobicContact CB-CD2 4.35Å; I179-F231 HydrophobicContact CD1-CB 4.4Å; I179-F231 HydrophobicContact CD1-CD2 3.99Å; I179-F231 HydrophobicContact CG1-CD2 3.72Å; I179-F231 HydrophobicContact CG1-CE2 4.19Å; I179-F231 HydrophobicContact CG2-CD2 3.92Å; I179-F231 HydrophobicContact CG2-CE2 4.19Å; M187-F231 HydrophobicContact CE-CB 3.52Å; M187-F231 HydrophobicContact CE-CD1 4.43Å; M187-F231 HydrophobicContact CE-CD2 3.45Å; M187-F231 VanDerWaalsContact CE-CD2 3.45Å; M187-F231 HydrophobicContact CE-CE2 4.2Å; M187-F231 HydrophobicContact CE-CG 3.57Å; M187-F231 HydrophobicContact SD-CB 4.48Å; M187-F231 HydrophobicContact SD-CG 4.41Å; L197-F231 HydrophobicContact CB-CD1 3.71Å; L197-F231 HydrophobicContact CB-CE1 3.46Å; L197-F231 VanDerWaalsContact CB-CE1 3.46Å; L197-F231 HydrophobicContact CB-CZ 4.15Å; L197-F231 HydrophobicContact CD2-CD1 3.65Å; L197-F231 HydrophobicContact CD2-CE1 4.11Å; L197-F231 HydrophobicContact CG-CD1 4.35Å; L197-F231 HydrophobicContact CG-CE1 4.45Å; L197-F231 WeakPolarHBondContact O-CZ 3.3Å; L211-F231 HydrophobicContact CD2-CE1 3.76Å; Y227-F231 WeakPolarHBondContact O-CB 3.32Å; Y227-F231 PolarHBondContact O-N 3.26Å; D228-F231 PolarHBondContact O-N 2.89Å; E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3.04Å; F231-R233 PolarHBondContact O-N 2.88Å; F231-T234 PolarHBondContact O-N 3.02Å; F231-T234 VanDerWaalsContact O-N 3.15Å; F231-V235 HydrophobicContact CD1-CG2 3.7Å; F231-V235 HydrophobicContact CE1-CG2 3.48Å; F231-V235 VanDerWaalsContact CE1-CG2 3.48Å; F231-V235 HydrophobicContact CG-CG2 4.47Å; F231-V235 HydrophobicContact CZ-CG2 4.1Å; F231-V235 WeakPolarHBondContact O-CB 3.38Å; F231-V235 VanDerWaalsContact O-CG2 3.31Å; F231-V235 WeakPolarHBondContact O-CG2 3.42Å; F231-V235 PolarHBondContact O-N 3.37Å |
| 232 | L | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.6 | -72.6 | 173.1 | 0 | 0 | 0 | 113.2 | L197 D228 E229 T234 L236 L254 I256 Y281 M350 | L197-L232 HydrophobicContact CD2-CD1 4.1Å; L197-L232 HydrophobicContact CD2-CD2 3.53Å; L197-L232 HydrophobicContact CD2-CG 3.61Å; D228-L232 PolarHBondContact O-N 3.09Å; E229-L232 PolarHBondContact O-N 3.47Å; L232-T234 VanDerWaalsContact C-N 3.31Å; L232-T234 PolarHBondContact O-N 3.12Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 PolarHBondContact O-N 3.22Å; L232-L254 HydrophobicContact CD2-CD1 3.71Å; L232-L254 HydrophobicContact CD2-CD2 4.11Å; L232-I256 HydrophobicContact CD1-CD1 4.25Å; L232-Y281 HydrophobicContact CD1-CD1 3.68Å; L232-Y281 HydrophobicContact CD1-CE1 3.75Å; L232-M350 HydrophobicContact CD1-CE 4.35Å; L232-M350 HydrophobicContact CD1-SD 3.74Å; L232-M350 HydrophobicContact CD2-SD 3.62Å; L232-M350 HydrophobicContact CG-SD 4.27Å |
| 233 | R | 95.4 | Very high | 90.7 | Very high | 100 Ų | 100 | 54.6 Ų | 54.6 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 171 | -67.2 | 173.9 | -172 | 123.4 | 9.3 | 111.6 | E229 K230 F231 A237 Y280 D282 Q283 | E229-R233 VanDerWaalsContact CB-NH1 3.26Å; E229-R233 WeakPolarHBondContact O-CG 3.29Å; E229-R233 PolarHBondContact O-N 3.46Å; E229-R233 IonicContact OE2-CZ 3.88Å; E229-R233 IonicContact OE2-NH1 3.19Å; E229-R233 PolarHBondContact OE2-NH1 3.1Å; E229-R233 IonicContact OE2-NH2 3.56Å; E229-R233 PolarHBondContact OE2-NH2 3.42Å; K230-R233 PolarHBondContact O-N 2.92Å; F231-R233 PolarHBondContact O-N 2.88Å; R233-A237 PolarHBondContact O-N 3.29Å; R233-A237 VanDerWaalsContact O-N 3.11Å; R233-Y280 PolarHBondContact NH2-O 3.41Å; R233-D282 IonicContact NE-OD1 3.61Å; R233-D282 IonicContact NH2-OD1 3.35Å; R233-D282 PolarHBondContact NH2-OD1 3.22Å; R233-Q283 HydrophobicContact CG-CG 4Å |
| 234 | T | 96.6 | Very high | 89.2 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.6 | -45.1 | 179.2 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | P176 S178 I179 K230 F231 L232 L236 A237 C238 | P176-T234 HydrophobicContact CB-CG2 3.64Å; P176-T234 HydrophobicContact CG-CG2 3.98Å; S178-T234 WeakPolarHBondContact OG-CG2 3.27Å; I179-T234 HydrophobicContact CD1-CG2 4.23Å; I179-T234 HydrophobicContact CG1-CG2 4.16Å; K230-T234 WeakPolarHBondContact O-CB 3.44Å; K230-T234 PolarHBondContact O-N 3.01Å; K230-T234 PolarHBondContact O-OG1 2.86Å; F231-T234 PolarHBondContact O-N 3.02Å; F231-T234 VanDerWaalsContact O-N 3.15Å; L232-T234 VanDerWaalsContact C-N 3.31Å; L232-T234 PolarHBondContact O-N 3.12Å; T234-L236 VanDerWaalsContact C-N 3.28Å; T234-L236 PolarHBondContact O-N 3.36Å; T234-A237 PolarHBondContact O-N 3.11Å; T234-A237 VanDerWaalsContact O-N 3.1Å; T234-C238 PolarHBondContact O-N 3.37Å; T234-C238 PolarHBondContact O-SG 3.19Å; T234-C238 VanDerWaalsContact O-SG 3.4Å |
| 235 | V | 96.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54 | -46 | 173 | 161 | 0 | 0 | 0 | 0 | 110.7 | W154 P176 V209 L211 F231 A237 C238 C239 L254 | W154-V235 HydrophobicContact CH2-CG1 4.41Å; W154-V235 HydrophobicContact CH2-CG2 4.41Å; W154-V235 HydrophobicContact CZ3-CG2 4.44Å; P176-V235 HydrophobicContact CG-CG2 3.79Å; V209-V235 HydrophobicContact CG2-CG1 3.9Å; L211-V235 HydrophobicContact CD1-CG1 3.88Å; L211-V235 HydrophobicContact CD2-CB 4.47Å; L211-V235 HydrophobicContact CD2-CG1 3.92Å; L211-V235 HydrophobicContact CD2-CG2 3.75Å; L211-V235 HydrophobicContact CG-CG1 4.49Å; F231-V235 HydrophobicContact CD1-CG2 3.7Å; F231-V235 HydrophobicContact CE1-CG2 3.48Å; F231-V235 VanDerWaalsContact CE1-CG2 3.48Å; F231-V235 HydrophobicContact CG-CG2 4.47Å; F231-V235 HydrophobicContact CZ-CG2 4.1Å; F231-V235 WeakPolarHBondContact O-CB 3.38Å; F231-V235 VanDerWaalsContact O-CG2 3.31Å; F231-V235 WeakPolarHBondContact O-CG2 3.42Å; F231-V235 PolarHBondContact O-N 3.37Å; V235-A237 VanDerWaalsContact C-N 3.34Å; V235-A237 PolarHBondContact O-N 3.39Å; V235-C238 PolarHBondContact O-N 3.24Å; V235-C239 PolarHBondContact O-N 3.33Å; V235-C239 PolarHBondContact O-SG 3.37Å; V235-L254 HydrophobicContact CG1-CD1 4.05Å |
| 236 | L | 94.2 | Very high | 85.6 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 178.2 | -177.5 | 58 | 0 | 0 | 0 | 112.5 | L232 T234 C238 C239 H252 Q283 P348 | L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 PolarHBondContact O-N 3.22Å; T234-L236 VanDerWaalsContact C-N 3.28Å; T234-L236 PolarHBondContact O-N 3.36Å; L236-C238 VanDerWaalsContact C-N 3.34Å; L236-C239 PolarHBondContact O-N 3.34Å; L236-H252 WeakPolarHBondContact CD1-CE1 3.36Å; L236-H252 VanDerWaalsContact CD1-O 3.24Å; L236-H252 WeakPolarHBondContact CD1-O 3.45Å; L236-Q283 HydrophobicContact CD2-CB 3.9Å; L236-Q283 HydrophobicContact CD2-CG 4.39Å; L236-P348 HydrophobicContact CD1-CG 4.23Å |
| 237 | A | 93.3 | Very high | 83.7 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 69% | 0.694 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.1 | -25.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | R233 T234 V235 | R233-A237 PolarHBondContact O-N 3.29Å; R233-A237 VanDerWaalsContact O-N 3.11Å; T234-A237 PolarHBondContact O-N 3.11Å; T234-A237 VanDerWaalsContact O-N 3.1Å; V235-A237 VanDerWaalsContact C-N 3.34Å; V235-A237 PolarHBondContact O-N 3.39Å |
| 238 | C | 94.7 | Very high | 81.5 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.9 | 174.9 | -67.5 | 0 | 0 | 0 | 0 | 114.1 | W154 T234 V235 L236 | W154-C238 HydrophobicContact CH2-CB 3.91Å; W154-C238 HydrophobicContact CZ2-CB 3.37Å; T234-C238 PolarHBondContact O-N 3.37Å; T234-C238 PolarHBondContact O-SG 3.19Å; T234-C238 VanDerWaalsContact O-SG 3.4Å; V235-C238 PolarHBondContact O-N 3.24Å; L236-C238 VanDerWaalsContact C-N 3.34Å |
| 239 | C | 92.3 | Very high | 79.5 | Confident | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.054 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -96.1 | 138.1 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 111 | V235 L236 K241 P348 | V235-C239 PolarHBondContact O-N 3.33Å; V235-C239 PolarHBondContact O-SG 3.37Å; L236-C239 PolarHBondContact O-N 3.34Å; C239-K241 PolarHBondContact O-N 2.75Å; C239-P348 HydrophobicContact CB-CG 3.72Å; C239-P348 WeakPolarHBondContact SG-CG 3.49Å |
| 240 | P | 78.6 | Confident | 77.6 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 136.1 | 176.3 | -23.1 | 34.9 | 0 | 0 | 0 | 111.9 | T206 H252 | T206-P240 WeakPolarHBondContact O-CG 3.45Å; P240-H252 PolarHBondContact O-NE2 2.89Å |
| 241 | K | 72.7 | Confident | 75.6 | Confident | 151 Ų | 151 | 76.9 Ų | 76.9 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 140.5 | 169.3 | -65.8 | -172.9 | 178.7 | -174.4 | 0 | 110.2 | C239 P243 | C239-K241 PolarHBondContact O-N 2.75Å; K241-P243 WeakPolarHBondContact O-CD 3.38Å |
| 242 | K | 68.2 | Low | 74.4 | Confident | 83 Ų | 83 | 78 Ų | 78 | 36% | 0.361 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 127.1 | 174.4 | -84.8 | -169.2 | 166.5 | -179.9 | 0 | 111.1 | F244 S245 E344 N345 A346 | K242-F244 PolarHBondContact O-N 2.84Å; K242-S245 PolarHBondContact O-N 3.19Å; K242-S245 PolarHBondContact O-OG 3Å; K242-E344 WeakPolarHBondContact CE-O 3.21Å; K242-E344 PolarHBondContact NZ-O 2.99Å; K242-N345 VanDerWaalsContact CE-C 3.48Å; K242-N345 WeakPolarHBondContact CE-O 3.37Å; K242-N345 PolarHBondContact NZ-O 3.45Å; K242-A346 HydrophobicContact CD-CB 4.37Å; K242-A346 HydrophobicContact CG-CB 3.84Å |
| 243 | P | 56.7 | Low | 74 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 70% | 0.695 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 138.1 | 167 | -25.4 | 35 | 0 | 0 | 0 | 110.4 | K241 S245 | K241-P243 WeakPolarHBondContact O-CD 3.38Å; P243-S245 VanDerWaalsContact C-N 3.27Å; P243-S245 PolarHBondContact O-N 3.47Å |
| 244 | F | 59.5 | Low | 74 | Confident | 211 Ų | 211 | 76 Ų | 76 | 93% | 0.925 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20 | 178.8 | -40.5 | -76.8 | 0 | 0 | 0 | 116.1 | K242 D246 | K242-F244 PolarHBondContact O-N 2.84Å; F244-D246 PolarHBondContact O-N 2.59Å |
| 245 | S | 60.1 | Low | 74 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 34% | 0.343 | 41% | 0.409 | S | S | . | . | trans | -63.6 | 124.4 | 165.8 | 63 | 0 | 0 | 0 | 0 | 110.7 | K242 P243 | K242-S245 PolarHBondContact O-N 3.19Å; K242-S245 PolarHBondContact O-OG 3Å; P243-S245 VanDerWaalsContact C-N 3.27Å; P243-S245 PolarHBondContact O-N 3.47Å | ||
| 246 | D | 57.6 | Low | 74.1 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 35% | 0.348 | 41% | 0.409 | S | S | . | . | trans | -54.8 | 117.8 | 174.9 | 171.9 | 5.4 | 0 | 0 | 0 | 110.5 | F244 N248 K249 | F244-D246 PolarHBondContact O-N 2.59Å; D246-N248 PolarHBondContact O-N 2.82Å; D246-N248 VanDerWaalsContact O-N 3.1Å; D246-N248 WeakPolarHBondContact OD1-CB 3.29Å; D246-N248 PolarHBondContact OD1-N 2.98Å; D246-K249 HydrophobicContact CB-CB 4.23Å; D246-K249 HydrophobicContact CB-CD 4.34Å; D246-K249 HydrophobicContact CB-CG 4.4Å; D246-K249 PolarHBondContact O-N 3.24Å; D246-K249 WeakPolarHBondContact OD2-CD 3.33Å; D246-K249 WeakPolarHBondContact OD2-CG 3.44Å | ||
| 247 | P | 56.1 | Low | 74.3 | Confident | 123 Ų | 123 | 74.3 Ų | 74.3 | 80% | 0.799 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.6 | -175.7 | 27.8 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 248 | N | 51.8 | Low | 74.5 | Confident | 150 Ų | 150 | 70.3 Ų | 70.3 | 80% | 0.802 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.7 | 173.9 | -58.5 | -69.5 | 0 | 0 | 0 | 113.3 | D246 | D246-N248 PolarHBondContact O-N 2.82Å; D246-N248 VanDerWaalsContact O-N 3.1Å; D246-N248 WeakPolarHBondContact OD1-CB 3.29Å; D246-N248 PolarHBondContact OD1-N 2.98Å |
| 249 | K | 56.1 | Low | 74.7 | Confident | 135 Ų | 135 | 69.3 Ų | 69.3 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -111.5 | 113.5 | 174.6 | -76.1 | -179.2 | 179.9 | 175.7 | 0 | 109.9 | D246 T251 | D246-K249 HydrophobicContact CB-CB 4.23Å; D246-K249 HydrophobicContact CB-CD 4.34Å; D246-K249 HydrophobicContact CB-CG 4.4Å; D246-K249 PolarHBondContact O-N 3.24Å; D246-K249 WeakPolarHBondContact OD2-CD 3.33Å; D246-K249 WeakPolarHBondContact OD2-CG 3.44Å; K249-T251 HydrophobicContact CB-CG2 4.19Å; K249-T251 PolarHBondContact O-N 3.19Å; K249-T251 PolarHBondContact O-OG1 2.72Å |
| 250 | D | 57.4 | Low | 75 | Confident | 115 Ų | 115 | 69 Ų | 69 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | trans | -76.3 | 56.8 | -179.7 | -166.4 | 13.1 | 0 | 0 | 0 | 112.4 | H252 R253 | D250-H252 VanDerWaalsContact C-N 3.25Å; D250-H252 PolarHBondContact O-N 2.76Å; D250-R253 HydrophobicContact CB-CG 4.46Å; D250-R253 VanDerWaalsContact CG-CG 3.4Å; D250-R253 WeakPolarHBondContact OD1-CG 3.31Å; D250-R253 WeakPolarHBondContact OD2-CD 3.45Å; D250-R253 VanDerWaalsContact OD2-CG 3.23Å; D250-R253 WeakPolarHBondContact OD2-CG 3.24Å; D250-R253 IonicContact OD2-NE 3.65Å | ||
| 251 | T | 56 | Low | 75.9 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 2.5 | -178.1 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | K249 | K249-T251 HydrophobicContact CB-CG2 4.19Å; K249-T251 PolarHBondContact O-N 3.19Å; K249-T251 PolarHBondContact O-OG1 2.72Å |
| 252 | H | 72.5 | Confident | 77 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 5.2 | -176.5 | -142.7 | -91.5 | 0 | 0 | 0 | 114.1 | L236 P240 D250 L254 | L236-H252 WeakPolarHBondContact CD1-CE1 3.36Å; L236-H252 VanDerWaalsContact CD1-O 3.24Å; L236-H252 WeakPolarHBondContact CD1-O 3.45Å; P240-H252 PolarHBondContact O-NE2 2.89Å; D250-H252 VanDerWaalsContact C-N 3.25Å; D250-H252 PolarHBondContact O-N 2.76Å; H252-L254 PolarHBondContact O-N 2.74Å |
| 253 | R | 87.9 | Confident | 78.3 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 23% | 0.226 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.8 | 176.3 | -57.4 | 178.2 | 82.8 | -127.6 | -1.4 | 110.6 | D250 D282 Q283 A284 R347 | D250-R253 HydrophobicContact CB-CG 4.46Å; D250-R253 VanDerWaalsContact CG-CG 3.4Å; D250-R253 WeakPolarHBondContact OD1-CG 3.31Å; D250-R253 WeakPolarHBondContact OD2-CD 3.45Å; D250-R253 VanDerWaalsContact OD2-CG 3.23Å; D250-R253 WeakPolarHBondContact OD2-CG 3.24Å; D250-R253 IonicContact OD2-NE 3.65Å; R253-D282 PolarHBondContact NE-O 3.32Å; R253-D282 VanDerWaalsContact NE-O 3.08Å; R253-D282 PolarHBondContact NH2-O 3.32Å; R253-Q283 CarbonylContact C-O 3.33Å; R253-Q283 VanDerWaalsContact CA-O 3.31Å; R253-Q283 WeakPolarHBondContact CA-O 3.38Å; R253-A284 VanDerWaalsContact CZ-O 3.22Å; R253-A284 PolarHBondContact NH1-O 3.06Å; R253-A284 PolarHBondContact NH2-O 3.39Å; R253-R347 PolarHBondContact O-NE 2.91Å; R253-R347 PolarHBondContact O-NH2 3.43Å; R253-R347 VanDerWaalsContact O-NH2 3.13Å |
| 254 | L | 94.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 148.2 | 176.4 | -179.5 | 147 | 0 | 0 | 0 | 110.7 | L211 L232 V235 H252 I256 Q283 A284 E285 R347 P348 M350 | L211-L254 HydrophobicContact CD1-CD1 4.44Å; L232-L254 HydrophobicContact CD2-CD1 3.71Å; L232-L254 HydrophobicContact CD2-CD2 4.11Å; V235-L254 HydrophobicContact CG1-CD1 4.05Å; H252-L254 PolarHBondContact O-N 2.74Å; L254-I256 HydrophobicContact CD2-CD1 4.4Å; L254-I256 HydrophobicContact CD2-CG1 3.57Å; L254-Q283 PolarHBondContact N-O 2.83Å; L254-A284 HydrophobicContact CB-CB 4.17Å; L254-A284 HydrophobicContact CD2-CB 4.05Å; L254-A284 CarbonylContact O-C 3.24Å; L254-A284 VanDerWaalsContact O-CA 3.28Å; L254-A284 WeakPolarHBondContact O-CA 3.38Å; L254-E285 PolarHBondContact O-N 3.48Å; L254-R347 PolarHBondContact O-NH2 3.1Å; L254-P348 HydrophobicContact CD1-CB 4.08Å; L254-P348 HydrophobicContact CG-CB 4.28Å; L254-M350 HydrophobicContact CD2-CB 4.02Å |
| 255 | M | 97 | Very high | 81.9 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119 | 175.4 | -164.5 | 165.6 | 72.3 | 0 | 0 | 110.5 | V257 V287 A341 R347 P348 V349 M350 | M255-V257 HydrophobicContact CE-CG2 3.76Å; M255-V257 HydrophobicContact CG-CG2 4.02Å; M255-V257 HydrophobicContact SD-CG2 4.42Å; M255-V287 HydrophobicContact CG-CG2 4.12Å; M255-V287 HydrophobicContact SD-CG2 4.35Å; M255-A341 HydrophobicContact CE-CB 3.48Å; M255-A341 VanDerWaalsContact CE-CB 3.48Å; M255-A341 HydrophobicContact SD-CB 4.38Å; M255-R347 HydrophobicContact CB-CG 4.37Å; M255-P348 PolarHBondContact N-O 3.08Å; M255-V349 HydrophobicContact CB-CG1 4.31Å; M255-V349 HydrophobicContact CB-CG2 4.33Å; M255-V349 HydrophobicContact CE-CG1 3.8Å; M255-V349 HydrophobicContact CE-CG2 3.87Å; M255-V349 CarbonylContact O-C 3.57Å; M255-V349 WeakPolarHBondContact O-CA 3.31Å; M255-M350 PolarHBondContact O-N 2.74Å |
| 256 | I | 98.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.3 | 170.5 | -56.5 | -178.9 | 0 | 0 | 0 | 107.2 | L232 L254 E276 A284 E285 V286 V287 M350 | L232-I256 HydrophobicContact CD1-CD1 4.25Å; L254-I256 HydrophobicContact CD2-CD1 4.4Å; L254-I256 HydrophobicContact CD2-CG1 3.57Å; I256-E276 HydrophobicContact CD1-CB 3.85Å; I256-E276 HydrophobicContact CD1-CG 3.8Å; I256-A284 HydrophobicContact CD1-CB 3.81Å; I256-A284 HydrophobicContact CG1-CB 4.01Å; I256-E285 PolarHBondContact N-O 3.1Å; I256-V286 HydrophobicContact CB-CG2 4.14Å; I256-V286 HydrophobicContact CD1-CG2 4.3Å; I256-V286 HydrophobicContact CG2-CG2 4.47Å; I256-V286 CarbonylContact O-C 3.4Å; I256-V286 WeakPolarHBondContact O-CA 3.43Å; I256-V287 PolarHBondContact O-N 3.48Å; I256-M350 CarbonylContact C-O 3.25Å; I256-M350 WeakPolarHBondContact CA-O 3.34Å; I256-M350 HydrophobicContact CD1-SD 4Å; I256-M350 HydrophobicContact CG1-CB 4.41Å; I256-M350 HydrophobicContact CG1-SD 3.85Å; I256-M350 HydrophobicContact CG2-SD 4.27Å |
| 257 | V | 98.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 100.6 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | M255 A259 M289 T334 I338 V349 M350 V351 H352 I363 | M255-V257 HydrophobicContact CE-CG2 3.76Å; M255-V257 HydrophobicContact CG-CG2 4.02Å; M255-V257 HydrophobicContact SD-CG2 4.42Å; V257-A259 PolarHBondContact O-N 3.08Å; V257-M289 HydrophobicContact CG1-CE 3.78Å; V257-M289 HydrophobicContact CG1-CG 3.52Å; V257-M289 HydrophobicContact CG2-CE 4.22Å; V257-T334 HydrophobicContact CG1-CG2 4.43Å; V257-I338 HydrophobicContact CG1-CD1 4.38Å; V257-I338 HydrophobicContact CG2-CG1 4.26Å; V257-V349 HydrophobicContact CG2-CG1 3.78Å; V257-M350 PolarHBondContact N-O 3.2Å; V257-V351 HydrophobicContact CB-CG1 4.02Å; V257-V351 HydrophobicContact CG1-CG1 4.38Å; V257-V351 WeakPolarHBondContact O-CA 3.31Å; V257-H352 PolarHBondContact O-N 2.95Å; V257-I363 HydrophobicContact CG1-CD1 4.13Å |
| 258 | D | 98.5 | Very high | 87 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 114.6 | 165.2 | -170.1 | -15.1 | 0 | 0 | 0 | 108 | R260 A265 V287 F288 M289 H352 | D258-R260 VanDerWaalsContact CG-NE 3.34Å; D258-R260 PolarHBondContact O-N 3.24Å; D258-R260 VanDerWaalsContact O-N 3.07Å; D258-R260 WeakPolarHBondContact OD1-CB 3.33Å; D258-R260 VanDerWaalsContact OD1-CG 3.23Å; D258-R260 WeakPolarHBondContact OD1-CG 3.33Å; D258-R260 IonicContact OD1-CZ 3.22Å; D258-R260 PolarHBondContact OD1-N 2.71Å; D258-R260 IonicContact OD1-NE 3.85Å; D258-R260 PolarHBondContact OD1-NE 3.47Å; D258-R260 IonicContact OD1-NH2 2.7Å; D258-R260 IonicContact OD2-CZ 2.99Å; D258-R260 VanDerWaalsContact OD2-CZ 3.24Å; D258-R260 IonicContact OD2-NE 3.4Å; D258-R260 PolarHBondContact OD2-NE 3.11Å; D258-R260 IonicContact OD2-NH2 3.15Å; D258-R260 PolarHBondContact OD2-NH2 3.42Å; D258-A265 WeakPolarHBondContact OD2-CB 3.49Å; D258-V287 PolarHBondContact N-O 2.61Å; D258-F288 HydrophobicContact CB-CD1 3.78Å; D258-F288 HydrophobicContact CB-CE1 3.85Å; D258-F288 WeakPolarHBondContact O-CA 3.39Å; D258-F288 WeakPolarHBondContact OD2-CE1 3.03Å; D258-M289 PolarHBondContact O-N 3.3Å; D258-H352 VanDerWaalsContact CG-CE1 3.44Å; D258-H352 IonicContact OD1-CE1 3.43Å; D258-H352 IonicContact OD2-CE1 2.89Å |
| 259 | A | 98.5 | Very high | 89 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -62.5 | -15.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V257 L291 H352 C353 R359 I363 | V257-A259 PolarHBondContact O-N 3.08Å; A259-L291 HydrophobicContact CB-CD1 4.09Å; A259-L291 WeakPolarHBondContact O-CA 3.44Å; A259-L291 WeakPolarHBondContact O-CB 3.33Å; A259-L291 PolarHBondContact O-N 3.07Å; A259-H352 VanDerWaalsContact CB-O 3.31Å; A259-H352 WeakPolarHBondContact CB-O 3.39Å; A259-H352 PolarHBondContact N-O 2.92Å; A259-C353 HydrophobicContact CB-CB 3.88Å; A259-R359 HydrophobicContact CB-CB 3.64Å; A259-R359 HydrophobicContact CB-CG 4.42Å; A259-I363 HydrophobicContact CB-CD1 3.97Å |
| 260 | R | 98.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.3 | 169.6 | -176.8 | -59.8 | 174.1 | -67 | -173.4 | 1.9 | 112.2 | D258 N268 G274 M289 D290 C353 T354 | D258-R260 VanDerWaalsContact CG-NE 3.34Å; D258-R260 PolarHBondContact O-N 3.24Å; D258-R260 VanDerWaalsContact O-N 3.07Å; D258-R260 WeakPolarHBondContact OD1-CB 3.33Å; D258-R260 VanDerWaalsContact OD1-CG 3.23Å; D258-R260 WeakPolarHBondContact OD1-CG 3.33Å; D258-R260 IonicContact OD1-CZ 3.22Å; D258-R260 PolarHBondContact OD1-N 2.71Å; D258-R260 IonicContact OD1-NE 3.85Å; D258-R260 PolarHBondContact OD1-NE 3.47Å; D258-R260 IonicContact OD1-NH2 2.7Å; D258-R260 IonicContact OD2-CZ 2.99Å; D258-R260 VanDerWaalsContact OD2-CZ 3.24Å; D258-R260 IonicContact OD2-NE 3.4Å; D258-R260 PolarHBondContact OD2-NE 3.11Å; D258-R260 IonicContact OD2-NH2 3.15Å; D258-R260 PolarHBondContact OD2-NH2 3.42Å; R260-N268 PolarHBondContact NH1-ND2 3.24Å; R260-G274 PolarHBondContact NH2-O 2.76Å; R260-M289 PolarHBondContact O-N 2.92Å; R260-D290 PolarHBondContact O-N 2.68Å; R260-C353 HydrophobicContact CG-CB 4.28Å; R260-T354 WeakPolarHBondContact CD-OG1 3.44Å |
| 261 | S | 97.1 | Very high | 92.4 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | trans | -71.2 | 150.6 | 160.3 | 72 | 0 | 0 | 0 | 0 | 111.7 | S263 S264 A265 D290 | S261-S263 PolarHBondContact O-N 2.9Å; S261-S263 PolarHBondContact OG-OG 3.28Å; S261-S264 WeakPolarHBondContact O-CA 3.34Å; S261-S264 WeakPolarHBondContact O-CB 3.34Å; S261-S264 PolarHBondContact O-N 3.49Å; S261-S264 VanDerWaalsContact OG-CB 3.27Å; S261-S264 WeakPolarHBondContact OG-CB 3.36Å; S261-S264 PolarHBondContact OG-N 3.13Å; S261-S264 PolarHBondContact OG-OG 2.91Å; S261-A265 PolarHBondContact O-N 2.99Å; S261-D290 WeakPolarHBondContact CA-OD1 2.88Å; S261-D290 WeakPolarHBondContact CB-OD1 3.28Å | ||
| 262 | R | 96.5 | Very high | 94.1 | Very high | 133 Ų | 133 | 47.1 Ų | 47.1 | 50% | 0.502 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.2 | -38 | 175.3 | -169.6 | 179.3 | -176.4 | 100.1 | -2.9 | 111.8 | A265 Q266 F288 | R262-A265 PolarHBondContact O-N 3.42Å; R262-Q266 WeakPolarHBondContact O-CB 3.31Å; R262-Q266 VanDerWaalsContact O-CG 3.28Å; R262-Q266 WeakPolarHBondContact O-CG 3.43Å; R262-Q266 PolarHBondContact O-N 2.97Å; R262-F288 HydrophobicContact CB-CB 4.45Å; R262-F288 HydrophobicContact CB-CD1 4.13Å; R262-F288 HydrophobicContact CB-CD2 3.95Å; R262-F288 HydrophobicContact CB-CE1 4.42Å; R262-F288 HydrophobicContact CB-CE2 4.26Å; R262-F288 HydrophobicContact CB-CG 3.89Å; R262-F288 HydrophobicContact CB-CZ 4.47Å; R262-F288 HydrophobicContact CG-CD2 4.07Å; R262-F288 HydrophobicContact CG-CE1 4.49Å; R262-F288 HydrophobicContact CG-CE2 3.91Å; R262-F288 HydrophobicContact CG-CG 4.44Å; R262-F288 HydrophobicContact CG-CZ 4.12Å |
| 263 | S | 95.8 | Very high | 95.2 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 54% | 0.538 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 174 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | S261 Q266 F267 | S261-S263 PolarHBondContact O-N 2.9Å; S261-S263 PolarHBondContact OG-OG 3.28Å; S263-Q266 PolarHBondContact O-N 3.48Å; S263-F267 WeakPolarHBondContact O-CB 3.2Å; S263-F267 PolarHBondContact O-N 2.92Å |
| 264 | S | 95.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 174.8 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | S261 F267 N268 | S261-S264 WeakPolarHBondContact O-CA 3.34Å; S261-S264 WeakPolarHBondContact O-CB 3.34Å; S261-S264 PolarHBondContact O-N 3.49Å; S261-S264 VanDerWaalsContact OG-CB 3.27Å; S261-S264 WeakPolarHBondContact OG-CB 3.36Å; S261-S264 PolarHBondContact OG-N 3.13Å; S261-S264 PolarHBondContact OG-OG 2.91Å; S264-F267 PolarHBondContact O-N 3.31Å; S264-N268 PolarHBondContact O-N 2.77Å; S264-N268 PolarHBondContact O-ND2 2.94Å |
| 265 | A | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D258 S261 R262 N268 R269 F275 F288 | D258-A265 WeakPolarHBondContact OD2-CB 3.49Å; S261-A265 PolarHBondContact O-N 2.99Å; R262-A265 PolarHBondContact O-N 3.42Å; A265-N268 PolarHBondContact O-N 3.46Å; A265-R269 PolarHBondContact O-N 2.88Å; A265-F275 HydrophobicContact CB-CB 4.31Å; A265-F275 HydrophobicContact CB-CD1 3.75Å; A265-F275 HydrophobicContact CB-CG 4.34Å; A265-F288 HydrophobicContact CB-CD1 4.3Å; A265-F288 HydrophobicContact CB-CE1 3.57Å; A265-F288 HydrophobicContact CB-CZ 4.43Å |
| 266 | Q | 94.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 43.1 Ų | 43.1 | 46% | 0.458 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61 | -41.8 | 171.3 | -74.8 | 172.5 | -26 | 0 | 0 | 112.4 | R262 S263 R269 I270 F275 | R262-Q266 WeakPolarHBondContact O-CB 3.31Å; R262-Q266 VanDerWaalsContact O-CG 3.28Å; R262-Q266 WeakPolarHBondContact O-CG 3.43Å; R262-Q266 PolarHBondContact O-N 2.97Å; S263-Q266 PolarHBondContact O-N 3.48Å; Q266-R269 VanDerWaalsContact O-CB 3.31Å; Q266-R269 WeakPolarHBondContact O-CB 3.12Å; Q266-R269 PolarHBondContact O-N 3.23Å; Q266-I270 PolarHBondContact O-N 3.07Å; Q266-F275 HydrophobicContact CG-CE1 3.95Å |
| 267 | F | 93.9 | Very high | 95.4 | Very high | 104 Ų | 104 | 44.9 Ų | 44.9 | 46% | 0.456 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 176 | -174.9 | -110.3 | 0 | 0 | 0 | 112.5 | S263 S264 R269 I270 R271 | S263-F267 WeakPolarHBondContact O-CB 3.2Å; S263-F267 PolarHBondContact O-N 2.92Å; S264-F267 PolarHBondContact O-N 3.31Å; F267-R269 VanDerWaalsContact C-N 3.29Å; F267-R269 PolarHBondContact O-N 3.5Å; F267-I270 HydrophobicContact CD2-CD1 4.36Å; F267-I270 WeakPolarHBondContact O-CB 3.1Å; F267-I270 PolarHBondContact O-N 2.92Å; F267-R271 VanDerWaalsContact CE1-CZ 3.49Å |
| 268 | N | 93 | Very high | 94.9 | Very high | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -30.4 | 172.8 | -78.8 | -77.2 | 0 | 0 | 0 | 112.8 | R260 S264 A265 I270 R271 G272 G273 | R260-N268 PolarHBondContact NH1-ND2 3.24Å; S264-N268 PolarHBondContact O-N 2.77Å; S264-N268 PolarHBondContact O-ND2 2.94Å; A265-N268 PolarHBondContact O-N 3.46Å; N268-I270 VanDerWaalsContact C-N 3.28Å; N268-I270 PolarHBondContact O-N 2.86Å; N268-R271 CarbonylContact O-C 3.52Å; N268-R271 WeakPolarHBondContact O-CA 3.4Å; N268-R271 PolarHBondContact O-N 2.74Å; N268-G272 PolarHBondContact O-N 3.06Å; N268-G273 WeakPolarHBondContact O-CA 3.18Å; N268-G273 PolarHBondContact O-N 3.36Å |
| 269 | R | 93.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -36.9 | 172.1 | -174.7 | -176.4 | 162 | -152 | -17.2 | 112.7 | G219 L220 C222 A265 Q266 F267 R271 G272 G273 Y277 | G219-R269 CarbonylContact C-O 3.52Å; G219-R269 WeakPolarHBondContact CA-O 3.33Å; G219-R269 WeakPolarHBondContact O-CD 3.32Å; G219-R269 WeakPolarHBondContact O-CG 3.38Å; G219-R269 PolarHBondContact O-NE 3.04Å; L220-R269 PolarHBondContact O-NH2 2.77Å; C222-R269 VanDerWaalsContact SG-CZ 3.57Å; C222-R269 PolarHBondContact SG-NH2 3Å; A265-R269 PolarHBondContact O-N 2.88Å; Q266-R269 VanDerWaalsContact O-CB 3.31Å; Q266-R269 WeakPolarHBondContact O-CB 3.12Å; Q266-R269 PolarHBondContact O-N 3.23Å; F267-R269 VanDerWaalsContact C-N 3.29Å; F267-R269 PolarHBondContact O-N 3.5Å; R269-R271 PolarHBondContact O-N 2.89Å; R269-G272 PolarHBondContact O-N 3.21Å; R269-G273 WeakPolarHBondContact CA-O 3.31Å; R269-Y277 VanDerWaalsContact CD-OH 3.3Å; R269-Y277 WeakPolarHBondContact CD-OH 3.27Å; R269-Y277 PolarHBondContact NH1-OH 2.84Å |
| 270 | I | 93 | Very high | 94.3 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 55% | 0.549 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -30.7 | 175.7 | -55.2 | 173.6 | 0 | 0 | 0 | 110.6 | L220 Q266 F267 N268 G272 | L220-I270 HydrophobicContact CD2-CB 4.44Å; L220-I270 HydrophobicContact CD2-CG1 4.25Å; Q266-I270 PolarHBondContact O-N 3.07Å; F267-I270 HydrophobicContact CD2-CD1 4.36Å; F267-I270 WeakPolarHBondContact O-CB 3.1Å; F267-I270 PolarHBondContact O-N 2.92Å; N268-I270 VanDerWaalsContact C-N 3.28Å; N268-I270 PolarHBondContact O-N 2.86Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 2.89Å |
| 271 | R | 91 | Very high | 94.1 | Very high | 184 Ų | 184 | 57.4 Ų | 57.4 | 69% | 0.694 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 22.7 | 176.8 | -61.1 | -178.6 | 172.8 | -174.9 | -5.4 | 113.9 | F267 N268 R269 G273 | F267-R271 VanDerWaalsContact CE1-CZ 3.49Å; N268-R271 CarbonylContact O-C 3.52Å; N268-R271 WeakPolarHBondContact O-CA 3.4Å; N268-R271 PolarHBondContact O-N 2.74Å; R269-R271 PolarHBondContact O-N 2.89Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 2.87Å |
| 272 | G | 92 | Very high | 93.8 | Very high | 37 Ų | 37 | 61.1 Ų | 61.1 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -14.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C217 G219 N268 R269 I270 | C217-G272 CarbonylContact C-O 3.59Å; C217-G272 VanDerWaalsContact C-O 3.24Å; C217-G272 VanDerWaalsContact CA-O 3.27Å; C217-G272 WeakPolarHBondContact CA-O 3.37Å; G219-G272 PolarHBondContact N-O 2.82Å; N268-G272 PolarHBondContact O-N 3.06Å; R269-G272 PolarHBondContact O-N 3.21Å; I270-G272 VanDerWaalsContact C-N 3.34Å; I270-G272 PolarHBondContact O-N 2.89Å |
| 273 | G | 95.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | trans | -77.8 | -142.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P216 V218 G219 N268 R269 R271 | P216-G273 CarbonylContact O-C 3.5Å; V218-G273 PolarHBondContact N-O 3.27Å; G219-G273 PolarHBondContact N-O 2.92Å; N268-G273 WeakPolarHBondContact O-CA 3.18Å; N268-G273 PolarHBondContact O-N 3.36Å; R269-G273 WeakPolarHBondContact CA-O 3.31Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 2.87Å | ||
| 274 | G | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | 146.2 | -151.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q215 P216 R260 | Q215-G274 PolarHBondContact OE1-O 3.38Å; P216-G274 PolarHBondContact O-N 3.23Å; R260-G274 PolarHBondContact NH2-O 2.76Å | ||
| 275 | F | 97 | Very high | 93.4 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.044 | 26% | 0.26 | C | S | . | . | trans | -151.4 | 163.5 | 177.9 | 63.5 | -89.2 | 0 | 0 | 0 | 108.7 | A265 Q266 Y277 F288 | A265-F275 HydrophobicContact CB-CB 4.31Å; A265-F275 HydrophobicContact CB-CD1 3.75Å; A265-F275 HydrophobicContact CB-CG 4.34Å; Q266-F275 HydrophobicContact CG-CE1 3.95Å; F275-Y277 HydrophobicContact CE2-CE1 4.47Å; F275-Y277 HydrophobicContact CE2-CE2 4.4Å; F275-Y277 HydrophobicContact CZ-CE1 4.4Å; F275-Y277 HydrophobicContact CZ-CE2 4.44Å; F275-Y277 AromaticContact CZ-CZ 4Å; F275-Y277 WeakPolarHBondContact O-CD2 3.4Å; F275-Y277 WeakPolarHBondContact O-CE2 3.35Å; F275-F288 HydrophobicContact CB-CE1 4.37Å; F275-F288 HydrophobicContact CB-CZ 4.26Å; F275-F288 HydrophobicContact CD1-CZ 4.3Å; F275-F288 AromaticContact CD2-CZ 3.82Å; F275-F288 HydrophobicContact CD2-CZ 3.82Å; F275-F288 HydrophobicContact CE2-CZ 4.26Å; F275-F288 HydrophobicContact CG-CE1 4.31Å; F275-F288 AromaticContact CG-CZ 3.86Å; F275-F288 HydrophobicContact CG-CZ 3.86Å | ||
| 276 | E | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -70 | 131.3 | -174.7 | -71.5 | 81.7 | 170.2 | 0 | 0 | 111.7 | R191 P216 I256 Y281 V286 M350 H352 | R191-E276 IonicContact CZ-OE1 3Å; R191-E276 IonicContact NH1-OE1 2.74Å; R191-E276 PolarHBondContact NH1-OE1 3.46Å; R191-E276 IonicContact NH2-OE1 2.68Å; R191-E276 PolarHBondContact NH2-OE1 2.52Å; P216-E276 HydrophobicContact CG-CG 4.23Å; I256-E276 HydrophobicContact CD1-CB 3.85Å; I256-E276 HydrophobicContact CD1-CG 3.8Å; E276-Y281 HydrophobicContact CB-CD2 3.62Å; E276-Y281 HydrophobicContact CB-CE2 3.81Å; E276-Y281 HydrophobicContact CB-CG 4.03Å; E276-Y281 HydrophobicContact CG-CD1 4.28Å; E276-Y281 HydrophobicContact CG-CD2 3.92Å; E276-Y281 HydrophobicContact CG-CE1 4.05Å; E276-Y281 HydrophobicContact CG-CE2 3.68Å; E276-Y281 HydrophobicContact CG-CG 4.21Å; E276-V286 HydrophobicContact CB-CG2 3.98Å; E276-V286 WeakPolarHBondContact O-CG2 3.42Å; E276-M350 WeakPolarHBondContact OE1-CE 3.27Å; E276-H352 IonicContact OE2-CE1 2.67Å; E276-H352 IonicContact OE2-NE2 2.76Å; E276-H352 PolarHBondContact OE2-NE2 2.89Å | ||
| 277 | Y | 93.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | trans | -91.8 | 126.1 | -179.9 | -80.9 | -94.4 | 0 | 0 | 0 | 110.3 | V218 R269 F275 E279 Y280 Y281 | V218-Y277 HydrophobicContact CG1-CD2 4.1Å; V218-Y277 HydrophobicContact CG1-CE2 3.78Å; R269-Y277 VanDerWaalsContact CD-OH 3.3Å; R269-Y277 WeakPolarHBondContact CD-OH 3.27Å; R269-Y277 PolarHBondContact NH1-OH 2.84Å; F275-Y277 HydrophobicContact CE2-CE1 4.47Å; F275-Y277 HydrophobicContact CE2-CE2 4.4Å; F275-Y277 HydrophobicContact CZ-CE1 4.4Å; F275-Y277 HydrophobicContact CZ-CE2 4.44Å; F275-Y277 AromaticContact CZ-CZ 4Å; F275-Y277 WeakPolarHBondContact O-CD2 3.4Å; F275-Y277 WeakPolarHBondContact O-CE2 3.35Å; Y277-E279 WeakPolarHBondContact CB-OE2 3.47Å; Y277-E279 PolarHBondContact O-N 3.31Å; Y277-Y280 PolarHBondContact O-N 3.15Å; Y277-Y281 WeakPolarHBondContact O-CD2 3.45Å; Y277-Y281 PolarHBondContact O-N 3.32Å | ||
| 278 | P | 89.2 | Confident | 93.7 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.6 | 177.7 | -27.7 | 35.9 | 0 | 0 | 0 | 114.3 | Y280 Y281 D282 | P278-Y280 VanDerWaalsContact C-N 3.31Å; P278-Y281 CarbonylContact O-C 3.26Å; P278-D282 WeakPolarHBondContact O-CA 3.46Å; P278-D282 PolarHBondContact O-N 3.48Å |
| 279 | E | 90.4 | Very high | 93.9 | Very high | 138 Ų | 138 | 49.1 Ų | 49.1 | 65% | 0.645 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.4 | 176.6 | -57.3 | 83.4 | 174.1 | 0 | 0 | 113.8 | Y277 | Y277-E279 WeakPolarHBondContact CB-OE2 3.47Å; Y277-E279 PolarHBondContact O-N 3.31Å |
| 280 | Y | 93.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 51 Ų | 51 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -26.9 | 176.4 | -50.5 | -25.6 | 0 | 0 | 0 | 112.1 | C222 R224 R233 Y277 P278 | C222-Y280 HydrophobicContact CB-CE2 4.49Å; R224-Y280 HydrophobicContact CB-CD2 3.88Å; R224-Y280 HydrophobicContact CB-CE2 4.2Å; R224-Y280 HydrophobicContact CB-CG 4.46Å; R233-Y280 PolarHBondContact NH2-O 3.41Å; Y277-Y280 PolarHBondContact O-N 3.15Å; P278-Y280 VanDerWaalsContact C-N 3.31Å |
| 281 | Y | 94.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | trans | -112.2 | 56.6 | 178.8 | -62.3 | -92.2 | 0 | 0 | 0 | 109.8 | D228 E229 L232 E276 Y277 P278 Q283 A284 | D228-Y281 VanDerWaalsContact OD2-CE1 3.3Å; D228-Y281 WeakPolarHBondContact OD2-CE1 3.46Å; D228-Y281 PolarHBondContact OD2-OH 3.1Å; E229-Y281 HydrophobicContact CG-CD1 4.39Å; E229-Y281 HydrophobicContact CG-CE1 4Å; L232-Y281 HydrophobicContact CD1-CD1 3.68Å; L232-Y281 HydrophobicContact CD1-CE1 3.75Å; E276-Y281 HydrophobicContact CB-CD2 3.62Å; E276-Y281 HydrophobicContact CB-CE2 3.81Å; E276-Y281 HydrophobicContact CB-CG 4.03Å; E276-Y281 HydrophobicContact CG-CD1 4.28Å; E276-Y281 HydrophobicContact CG-CD2 3.92Å; E276-Y281 HydrophobicContact CG-CE1 4.05Å; E276-Y281 HydrophobicContact CG-CE2 3.68Å; E276-Y281 HydrophobicContact CG-CG 4.21Å; Y277-Y281 WeakPolarHBondContact O-CD2 3.45Å; Y277-Y281 PolarHBondContact O-N 3.32Å; P278-Y281 CarbonylContact O-C 3.26Å; Y281-Q283 PolarHBondContact O-N 2.96Å; Y281-A284 PolarHBondContact O-N 3.23Å; Y281-A284 VanDerWaalsContact O-O 3.13Å | ||
| 282 | D | 89.9 | Confident | 94.6 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 52% | 0.519 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.5 | -177.8 | 61.4 | -37.4 | 0 | 0 | 0 | 112.5 | R233 R253 P278 A284 | R233-D282 IonicContact NE-OD1 3.61Å; R233-D282 IonicContact NH2-OD1 3.35Å; R233-D282 PolarHBondContact NH2-OD1 3.22Å; R253-D282 PolarHBondContact NE-O 3.32Å; R253-D282 VanDerWaalsContact NE-O 3.08Å; R253-D282 PolarHBondContact NH2-O 3.32Å; P278-D282 WeakPolarHBondContact O-CA 3.46Å; P278-D282 PolarHBondContact O-N 3.48Å; D282-A284 PolarHBondContact O-N 3.16Å |
| 283 | Q | 90.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -0.8 | 172.1 | 77.4 | -78.4 | -12.6 | 0 | 0 | 115.7 | R233 L236 R253 L254 Y281 | R233-Q283 HydrophobicContact CG-CG 4Å; L236-Q283 HydrophobicContact CD2-CB 3.9Å; L236-Q283 HydrophobicContact CD2-CG 4.39Å; R253-Q283 CarbonylContact C-O 3.33Å; R253-Q283 VanDerWaalsContact CA-O 3.31Å; R253-Q283 WeakPolarHBondContact CA-O 3.38Å; L254-Q283 PolarHBondContact N-O 2.83Å; Y281-Q283 PolarHBondContact O-N 2.96Å |
| 284 | A | 94.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R253 L254 I256 Y281 D282 | R253-A284 VanDerWaalsContact CZ-O 3.22Å; R253-A284 PolarHBondContact NH1-O 3.06Å; R253-A284 PolarHBondContact NH2-O 3.39Å; L254-A284 HydrophobicContact CB-CB 4.17Å; L254-A284 HydrophobicContact CD2-CB 4.05Å; L254-A284 CarbonylContact O-C 3.24Å; L254-A284 VanDerWaalsContact O-CA 3.28Å; L254-A284 WeakPolarHBondContact O-CA 3.38Å; I256-A284 HydrophobicContact CD1-CB 3.81Å; I256-A284 HydrophobicContact CG1-CB 4.01Å; Y281-A284 PolarHBondContact O-N 3.23Å; Y281-A284 VanDerWaalsContact O-O 3.13Å; D282-A284 PolarHBondContact O-N 3.16Å |
| 285 | E | 94.7 | Very high | 94.8 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136 | 174.3 | -177.2 | -178.3 | -151 | 0 | 0 | 110.1 | L254 I256 V287 R347 | L254-E285 PolarHBondContact O-N 3.48Å; I256-E285 PolarHBondContact N-O 3.1Å; E285-V287 HydrophobicContact CG-CG2 4.46Å; E285-R347 VanDerWaalsContact CB-NH2 3.34Å; E285-R347 IonicContact OE2-CZ 2.67Å; E285-R347 IonicContact OE2-NH1 2.77Å; E285-R347 PolarHBondContact OE2-NH1 3.47Å; E285-R347 IonicContact OE2-NH2 2.9Å; E285-R347 PolarHBondContact OE2-NH2 2.89Å |
| 286 | V | 96.1 | Very high | 94.8 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.5 | 178.6 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | I256 E276 F288 | I256-V286 HydrophobicContact CB-CG2 4.14Å; I256-V286 HydrophobicContact CD1-CG2 4.3Å; I256-V286 HydrophobicContact CG2-CG2 4.47Å; I256-V286 CarbonylContact O-C 3.4Å; I256-V286 WeakPolarHBondContact O-CA 3.43Å; E276-V286 HydrophobicContact CB-CG2 3.98Å; E276-V286 WeakPolarHBondContact O-CG2 3.42Å; V286-F288 HydrophobicContact CG1-CE1 4.48Å; V286-F288 HydrophobicContact CG1-CE2 3.86Å; V286-F288 HydrophobicContact CG1-CZ 3.83Å |
| 287 | V | 97 | Very high | 94.8 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.3 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 109 | M255 I256 D258 E285 M289 | M255-V287 HydrophobicContact CG-CG2 4.12Å; M255-V287 HydrophobicContact SD-CG2 4.35Å; I256-V287 PolarHBondContact O-N 3.48Å; D258-V287 PolarHBondContact N-O 2.61Å; E285-V287 HydrophobicContact CG-CG2 4.46Å; V287-M289 HydrophobicContact CG1-CE 3.82Å; V287-M289 HydrophobicContact CG1-SD 4.22Å |
| 288 | F | 98 | Very high | 94.8 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.3 | 176.9 | -66.3 | -83.7 | 0 | 0 | 0 | 109.6 | D258 R262 A265 F275 V286 | D258-F288 HydrophobicContact CB-CD1 3.78Å; D258-F288 HydrophobicContact CB-CE1 3.85Å; D258-F288 WeakPolarHBondContact O-CA 3.39Å; D258-F288 WeakPolarHBondContact OD2-CE1 3.03Å; R262-F288 HydrophobicContact CB-CB 4.45Å; R262-F288 HydrophobicContact CB-CD1 4.13Å; R262-F288 HydrophobicContact CB-CD2 3.95Å; R262-F288 HydrophobicContact CB-CE1 4.42Å; R262-F288 HydrophobicContact CB-CE2 4.26Å; R262-F288 HydrophobicContact CB-CG 3.89Å; R262-F288 HydrophobicContact CB-CZ 4.47Å; R262-F288 HydrophobicContact CG-CD2 4.07Å; R262-F288 HydrophobicContact CG-CE1 4.49Å; R262-F288 HydrophobicContact CG-CE2 3.91Å; R262-F288 HydrophobicContact CG-CG 4.44Å; R262-F288 HydrophobicContact CG-CZ 4.12Å; A265-F288 HydrophobicContact CB-CD1 4.3Å; A265-F288 HydrophobicContact CB-CE1 3.57Å; A265-F288 HydrophobicContact CB-CZ 4.43Å; F275-F288 HydrophobicContact CB-CE1 4.37Å; F275-F288 HydrophobicContact CB-CZ 4.26Å; F275-F288 HydrophobicContact CD1-CZ 4.3Å; F275-F288 AromaticContact CD2-CZ 3.82Å; F275-F288 HydrophobicContact CD2-CZ 3.82Å; F275-F288 HydrophobicContact CE2-CZ 4.26Å; F275-F288 HydrophobicContact CG-CE1 4.31Å; F275-F288 AromaticContact CG-CZ 3.86Å; F275-F288 HydrophobicContact CG-CZ 3.86Å; V286-F288 HydrophobicContact CG1-CE1 4.48Å; V286-F288 HydrophobicContact CG1-CE2 3.86Å; V286-F288 HydrophobicContact CG1-CZ 3.83Å |
| 289 | M | 97.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | trans | -105.9 | 2.5 | -173.4 | -62.4 | -68.4 | -170.1 | 0 | 0 | 114.5 | V257 D258 R260 V287 L291 T334 | V257-M289 HydrophobicContact CG1-CE 3.78Å; V257-M289 HydrophobicContact CG1-CG 3.52Å; V257-M289 HydrophobicContact CG2-CE 4.22Å; D258-M289 PolarHBondContact O-N 3.3Å; R260-M289 PolarHBondContact O-N 2.92Å; V287-M289 HydrophobicContact CG1-CE 3.82Å; V287-M289 HydrophobicContact CG1-SD 4.22Å; M289-L291 HydrophobicContact CB-CD1 4.32Å; M289-L291 HydrophobicContact CB-CG 4.12Å; M289-L291 PolarHBondContact O-N 3.2Å; M289-T334 HydrophobicContact CB-CG2 4.03Å; M289-T334 HydrophobicContact CE-CG2 4.15Å; M289-T334 HydrophobicContact CG-CG2 3.62Å; M289-T334 HydrophobicContact SD-CG2 3.95Å | ||
| 290 | D | 97.2 | Very high | 95.4 | Very high | 105 Ų | 105 | 41.5 Ų | 41.5 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | trans | 56.4 | 15.4 | 175.2 | -68.3 | -44 | 0 | 0 | 0 | 116 | R260 S261 | R260-D290 PolarHBondContact O-N 2.68Å; S261-D290 WeakPolarHBondContact CA-OD1 2.88Å; S261-D290 WeakPolarHBondContact CB-OD1 3.28Å | ||
| 291 | L | 98.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 136.7 | -172.4 | -59.5 | 170.3 | 0 | 0 | 0 | 112.4 | A259 M289 Q330 L331 T334 R359 I363 | A259-L291 HydrophobicContact CB-CD1 4.09Å; A259-L291 WeakPolarHBondContact O-CA 3.44Å; A259-L291 WeakPolarHBondContact O-CB 3.33Å; A259-L291 PolarHBondContact O-N 3.07Å; M289-L291 HydrophobicContact CB-CD1 4.32Å; M289-L291 HydrophobicContact CB-CG 4.12Å; M289-L291 PolarHBondContact O-N 3.2Å; L291-Q330 HydrophobicContact CD2-CB 3.69Å; L291-L331 HydrophobicContact CD1-CD2 3.82Å; L291-L331 HydrophobicContact CD2-CD2 4.15Å; L291-L331 HydrophobicContact CD2-CG 4.34Å; L291-T334 HydrophobicContact CD1-CG2 4.16Å; L291-R359 HydrophobicContact CB-CG 4.23Å; L291-R359 WeakPolarHBondContact O-CD 3.36Å; L291-R359 PolarHBondContact O-NH1 2.58Å; L291-I363 HydrophobicContact CD1-CG2 3.62Å |
| 292 | P | 96.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 148.6 | -172.4 | 22.7 | -34.1 | 0 | 0 | 0 | 113.5 | T296 V297 N327 R359 | P292-T296 HydrophobicContact CB-CG2 3.66Å; P292-V297 HydrophobicContact CB-CG2 4.04Å; P292-V297 HydrophobicContact CG-CG2 3.81Å; P292-N327 HydrophobicContact CG-CB 4.36Å; P292-R359 WeakPolarHBondContact O-CD 3.22Å |
| 293 | N | 95.7 | Very high | 95.3 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -75.8 | 167.9 | 172.3 | 72.9 | 52 | 0 | 0 | 0 | 111.3 | H295 T296 V297 | N293-H295 VanDerWaalsContact C-N 3.27Å; N293-H295 PolarHBondContact O-N 2.87Å; N293-H295 WeakPolarHBondContact OD1-CB 3.43Å; N293-H295 PolarHBondContact OD1-N 3.41Å; N293-T296 WeakPolarHBondContact O-CB 3.33Å; N293-T296 PolarHBondContact O-N 3.07Å; N293-T296 PolarHBondContact OD1-N 2.94Å; N293-T296 PolarHBondContact OD1-OG1 3.35Å; N293-V297 PolarHBondContact O-N 2.86Å |
| 294 | L | 96.1 | Very high | 95.3 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -32.1 | -173.6 | 77 | 95 | 0 | 0 | 0 | 113.7 | V297 R298 N410 S413 I415 | L294-V297 PolarHBondContact O-N 3.46Å; L294-R298 WeakPolarHBondContact O-CB 3.44Å; L294-R298 PolarHBondContact O-N 3.09Å; L294-N410 WeakPolarHBondContact CD1-O 3.42Å; L294-S413 WeakPolarHBondContact O-CB 3.47Å; L294-S413 PolarHBondContact O-OG 3.29Å; L294-I415 HydrophobicContact CB-CD1 4.03Å |
| 295 | H | 95.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.6 | -39.5 | 176.3 | -46.5 | -52 | 0 | 0 | 0 | 111 | N293 R298 S299 N410 | N293-H295 VanDerWaalsContact C-N 3.27Å; N293-H295 PolarHBondContact O-N 2.87Å; N293-H295 WeakPolarHBondContact OD1-CB 3.43Å; N293-H295 PolarHBondContact OD1-N 3.41Å; H295-R298 WeakPolarHBondContact O-CB 3.31Å; H295-R298 PolarHBondContact O-N 3.02Å; H295-S299 PolarHBondContact O-N 3.48Å; H295-S299 PolarHBondContact O-OG 3.2Å; H295-N410 PolarHBondContact CE1-O 3.11Å; H295-N410 VanDerWaalsContact CE1-O 3.24Å; H295-N410 PolarHBondContact ND1-O 3.37Å; H295-N410 VanDerWaalsContact ND1-O 3.07Å |
| 296 | T | 96.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 173 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | P292 N293 S299 N300 | P292-T296 HydrophobicContact CB-CG2 3.66Å; N293-T296 WeakPolarHBondContact O-CB 3.33Å; N293-T296 PolarHBondContact O-N 3.07Å; N293-T296 PolarHBondContact OD1-N 2.94Å; N293-T296 PolarHBondContact OD1-OG1 3.35Å; T296-S299 PolarHBondContact O-N 2.89Å; T296-N300 VanDerWaalsContact O-CB 3.25Å; T296-N300 WeakPolarHBondContact O-CB 3.37Å; T296-N300 PolarHBondContact O-N 3.34Å; T296-N300 PolarHBondContact O-ND2 2.68Å |
| 297 | V | 97 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 174.2 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | P292 N293 L294 N300 F301 W324 P414 I415 | P292-V297 HydrophobicContact CB-CG2 4.04Å; P292-V297 HydrophobicContact CG-CG2 3.81Å; N293-V297 PolarHBondContact O-N 2.86Å; L294-V297 PolarHBondContact O-N 3.46Å; V297-N300 PolarHBondContact O-N 2.92Å; V297-F301 WeakPolarHBondContact O-CB 3.36Å; V297-F301 PolarHBondContact O-N 3.5Å; V297-W324 HydrophobicContact CG1-CZ3 4.06Å; V297-P414 HydrophobicContact CG1-CG 4.14Å; V297-I415 HydrophobicContact CB-CD1 4.16Å; V297-I415 HydrophobicContact CG1-CD1 4.11Å; V297-I415 HydrophobicContact CG2-CD1 4.31Å |
| 298 | R | 94.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 19% | 0.185 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -54.3 | 173.4 | 168.6 | 179.3 | 60.5 | 167 | 0.2 | 111.4 | L294 H295 N300 F301 E302 I409 N410 Q412 | L294-R298 WeakPolarHBondContact O-CB 3.44Å; L294-R298 PolarHBondContact O-N 3.09Å; H295-R298 WeakPolarHBondContact O-CB 3.31Å; H295-R298 PolarHBondContact O-N 3.02Å; R298-N300 VanDerWaalsContact C-N 3.35Å; R298-N300 PolarHBondContact O-N 2.96Å; R298-F301 CarbonylContact O-C 3.56Å; R298-F301 WeakPolarHBondContact O-CA 3.45Å; R298-F301 WeakPolarHBondContact O-CB 3.42Å; R298-F301 PolarHBondContact O-N 2.95Å; R298-F301 VanDerWaalsContact O-N 3.08Å; R298-E302 WeakPolarHBondContact CD-OE1 3.45Å; R298-E302 HydrophobicContact CG-CG 4.37Å; R298-E302 WeakPolarHBondContact CG-OE1 3.28Å; R298-E302 WeakPolarHBondContact O-CG 3.45Å; R298-E302 PolarHBondContact O-N 2.96Å; R298-I409 PolarHBondContact NH1-O 3Å; R298-I409 VanDerWaalsContact NH1-O 3.14Å; R298-N410 PolarHBondContact NH1-OD1 3.26Å; R298-N410 PolarHBondContact NH2-OD1 2.91Å; R298-Q412 WeakPolarHBondContact CD-O 3.17Å |
| 299 | S | 94.8 | Very high | 91.6 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.7 | -29.7 | -176.5 | -62 | 0 | 0 | 0 | 0 | 113.7 | H295 T296 F301 E302 A303 | H295-S299 PolarHBondContact O-N 3.48Å; H295-S299 PolarHBondContact O-OG 3.2Å; T296-S299 PolarHBondContact O-N 2.89Å; S299-F301 VanDerWaalsContact C-N 3.32Å; S299-E302 WeakPolarHBondContact CA-OE2 3.31Å; S299-E302 PolarHBondContact O-N 2.98Å; S299-E302 PolarHBondContact OG-OE2 3.03Å; S299-A303 WeakPolarHBondContact O-CB 3.36Å; S299-A303 PolarHBondContact O-N 3.35Å |
| 300 | N | 96.2 | Very high | 90.1 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 169 | -73.9 | -11.3 | 0 | 0 | 0 | 111.6 | T296 V297 R298 L304 S322 N327 | T296-N300 VanDerWaalsContact O-CB 3.25Å; T296-N300 WeakPolarHBondContact O-CB 3.37Å; T296-N300 PolarHBondContact O-N 3.34Å; T296-N300 PolarHBondContact O-ND2 2.68Å; V297-N300 PolarHBondContact O-N 2.92Å; R298-N300 VanDerWaalsContact C-N 3.35Å; R298-N300 PolarHBondContact O-N 2.96Å; N300-L304 PolarHBondContact O-N 2.95Å; N300-L304 VanDerWaalsContact O-N 3.08Å; N300-S322 WeakPolarHBondContact CA-O 3.4Å; N300-S322 WeakPolarHBondContact CB-O 3.42Å; N300-S322 PolarHBondContact OD1-O 3.21Å; N300-N327 PolarHBondContact ND2-ND2 3.48Å; N300-N327 PolarHBondContact ND2-OD1 3.48Å |
| 301 | F | 93.7 | Very high | 88.8 | Confident | 14 Ų | 14 | 47 Ų | 47 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 172.5 | -168.9 | -117.2 | 0 | 0 | 0 | 112 | K66 V297 R298 S299 A303 L304 T305 W324 P414 L417 Y517 | K66-F301 WeakPolarHBondContact O-CE1 3.29Å; V297-F301 WeakPolarHBondContact O-CB 3.36Å; V297-F301 PolarHBondContact O-N 3.5Å; R298-F301 CarbonylContact O-C 3.56Å; R298-F301 WeakPolarHBondContact O-CA 3.45Å; R298-F301 WeakPolarHBondContact O-CB 3.42Å; R298-F301 PolarHBondContact O-N 2.95Å; R298-F301 VanDerWaalsContact O-N 3.08Å; S299-F301 VanDerWaalsContact C-N 3.32Å; F301-A303 PolarHBondContact O-N 2.91Å; F301-L304 HydrophobicContact CD2-CD2 4.1Å; F301-L304 HydrophobicContact CE2-CD2 4.15Å; F301-L304 CarbonylContact O-C 3.53Å; F301-L304 WeakPolarHBondContact O-CA 3.5Å; F301-L304 VanDerWaalsContact O-CB 3.3Å; F301-L304 WeakPolarHBondContact O-CB 3.11Å; F301-L304 PolarHBondContact O-N 3.38Å; F301-T305 HydrophobicContact CD1-CG2 3.82Å; F301-T305 HydrophobicContact CD2-CG2 4.16Å; F301-T305 HydrophobicContact CE1-CG2 3.54Å; F301-T305 HydrophobicContact CE2-CG2 3.88Å; F301-T305 HydrophobicContact CG-CG2 4.13Å; F301-T305 HydrophobicContact CZ-CG2 3.57Å; F301-T305 WeakPolarHBondContact O-CG2 3.45Å; F301-T305 PolarHBondContact O-N 3.5Å; F301-T305 PolarHBondContact O-OG1 3.17Å; F301-W324 HydrophobicContact CB-CE3 4.13Å; F301-W324 HydrophobicContact CB-CH2 4.39Å; F301-W324 HydrophobicContact CB-CZ3 3.69Å; F301-W324 HydrophobicContact CD2-CD2 4.42Å; F301-W324 HydrophobicContact CD2-CE3 4.06Å; F301-W324 AromaticContact CD2-CH2 3.69Å; F301-W324 HydrophobicContact CD2-CH2 3.69Å; F301-W324 HydrophobicContact CD2-CZ2 4.07Å; F301-W324 AromaticContact CD2-CZ3 3.69Å; F301-W324 HydrophobicContact CD2-CZ3 3.69Å; F301-W324 HydrophobicContact CE2-CH2 4.38Å; F301-W324 HydrophobicContact CE2-CZ2 4.46Å; F301-W324 HydrophobicContact CG-CH2 4.36Å; F301-W324 HydrophobicContact CG-CZ3 4.11Å; F301-P414 HydrophobicContact CB-CG 3.68Å; F301-P414 HydrophobicContact CD1-CB 4.27Å; F301-P414 HydrophobicContact CD1-CG 3.82Å; F301-P414 HydrophobicContact CD2-CG 4.19Å; F301-P414 HydrophobicContact CE1-CB 4.47Å; F301-P414 HydrophobicContact CE1-CG 4.48Å; F301-P414 HydrophobicContact CG-CB 4.37Å; F301-P414 HydrophobicContact CG-CG 3.64Å; F301-L417 HydrophobicContact CE2-CD2 4.15Å; F301-L417 HydrophobicContact CZ-CD2 3.84Å; F301-Y517 HydrophobicContact CE2-CD1 4.09Å; F301-Y517 AromaticContact CE2-CE1 3.59Å; F301-Y517 HydrophobicContact CE2-CE1 3.59Å; F301-Y517 HydrophobicContact CZ-CD1 4.44Å; F301-Y517 HydrophobicContact CZ-CE1 4.14Å |
| 302 | E | 90.1 | Very high | 87.7 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.1 | -39.2 | 174.3 | -69.2 | 161.8 | 172 | 0 | 0 | 111.3 | R298 S299 T305 N306 | R298-E302 WeakPolarHBondContact CD-OE1 3.45Å; R298-E302 HydrophobicContact CG-CG 4.37Å; R298-E302 WeakPolarHBondContact CG-OE1 3.28Å; R298-E302 WeakPolarHBondContact O-CG 3.45Å; R298-E302 PolarHBondContact O-N 2.96Å; S299-E302 WeakPolarHBondContact CA-OE2 3.31Å; S299-E302 PolarHBondContact O-N 2.98Å; S299-E302 PolarHBondContact OG-OE2 3.03Å; E302-T305 PolarHBondContact O-OG1 3.31Å; E302-N306 WeakPolarHBondContact O-CB 3.39Å; E302-N306 PolarHBondContact O-N 2.74Å; E302-N306 PolarHBondContact O-ND2 3.43Å |
| 303 | A | 92 | Very high | 86.9 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.6 | -32.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S299 F301 | S299-A303 WeakPolarHBondContact O-CB 3.36Å; S299-A303 PolarHBondContact O-N 3.35Å; F301-A303 PolarHBondContact O-N 2.91Å |
| 304 | L | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69 | -48.9 | 172.6 | -177.6 | 76.9 | 0 | 0 | 0 | 111.5 | N300 F301 N306 L307 L319 W324 L512 Y517 | N300-L304 PolarHBondContact O-N 2.95Å; N300-L304 VanDerWaalsContact O-N 3.08Å; F301-L304 HydrophobicContact CD2-CD2 4.1Å; F301-L304 HydrophobicContact CE2-CD2 4.15Å; F301-L304 CarbonylContact O-C 3.53Å; F301-L304 WeakPolarHBondContact O-CA 3.5Å; F301-L304 VanDerWaalsContact O-CB 3.3Å; F301-L304 WeakPolarHBondContact O-CB 3.11Å; F301-L304 PolarHBondContact O-N 3.38Å; L304-N306 VanDerWaalsContact C-N 3.31Å; L304-N306 PolarHBondContact O-N 3.38Å; L304-L307 HydrophobicContact CD1-CD1 4.05Å; L304-L307 VanDerWaalsContact O-CB 3.23Å; L304-L307 WeakPolarHBondContact O-CB 3.3Å; L304-L307 PolarHBondContact O-N 2.92Å; L304-L307 VanDerWaalsContact O-N 3.07Å; L304-L319 HydrophobicContact CD1-CD1 3.49Å; L304-L319 VanDerWaalsContact CD1-CD1 3.49Å; L304-W324 HydrophobicContact CB-CB 4.38Å; L304-W324 HydrophobicContact CD1-CB 4.12Å; L304-W324 HydrophobicContact CD1-CG 4.35Å; L304-W324 HydrophobicContact CD2-CB 4.33Å; L304-W324 HydrophobicContact CD2-CD2 4.03Å; L304-W324 HydrophobicContact CD2-CG 3.77Å; L304-W324 HydrophobicContact CG-CG 4.45Å; L304-L512 HydrophobicContact CD1-CD1 3.85Å; L304-L512 HydrophobicContact CD2-CD1 4.44Å; L304-Y517 HydrophobicContact CD2-CD1 4.43Å; L304-Y517 HydrophobicContact CD2-CD2 4.13Å; L304-Y517 HydrophobicContact CD2-CE1 4.4Å; L304-Y517 HydrophobicContact CD2-CE2 4.05Å; L304-Y517 HydrophobicContact CD2-CG 4.33Å |
| 305 | T | 85.4 | Confident | 86.2 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.7 | -31.4 | -172.4 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | F301 E302 L307 F308 | F301-T305 HydrophobicContact CD1-CG2 3.82Å; F301-T305 HydrophobicContact CD2-CG2 4.16Å; F301-T305 HydrophobicContact CE1-CG2 3.54Å; F301-T305 HydrophobicContact CE2-CG2 3.88Å; F301-T305 HydrophobicContact CG-CG2 4.13Å; F301-T305 HydrophobicContact CZ-CG2 3.57Å; F301-T305 WeakPolarHBondContact O-CG2 3.45Å; F301-T305 PolarHBondContact O-N 3.5Å; F301-T305 PolarHBondContact O-OG1 3.17Å; E302-T305 PolarHBondContact O-OG1 3.31Å; T305-L307 PolarHBondContact O-N 2.82Å; T305-F308 PolarHBondContact O-N 3.38Å; T305-F308 VanDerWaalsContact O-N 3.1Å |
| 306 | N | 83.2 | Confident | 86.1 | Confident | 110 Ų | 110 | 62 Ų | 62 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.2 | -18.2 | 171.3 | -81.9 | -60.5 | 0 | 0 | 0 | 114.4 | E302 L304 | E302-N306 WeakPolarHBondContact O-CB 3.39Å; E302-N306 PolarHBondContact O-N 2.74Å; E302-N306 PolarHBondContact O-ND2 3.43Å; L304-N306 VanDerWaalsContact C-N 3.31Å; L304-N306 PolarHBondContact O-N 3.38Å |
| 307 | L | 84.3 | Confident | 85.9 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 170.7 | -74.2 | 153.3 | 0 | 0 | 0 | 112.1 | L304 T305 A309 C312 W315 L319 | L304-L307 HydrophobicContact CD1-CD1 4.05Å; L304-L307 VanDerWaalsContact O-CB 3.23Å; L304-L307 WeakPolarHBondContact O-CB 3.3Å; L304-L307 PolarHBondContact O-N 2.92Å; L304-L307 VanDerWaalsContact O-N 3.07Å; T305-L307 PolarHBondContact O-N 2.82Å; L307-A309 VanDerWaalsContact C-N 3.3Å; L307-A309 PolarHBondContact O-N 2.78Å; L307-C312 HydrophobicContact CD2-CB 4.38Å; L307-W315 HydrophobicContact CB-CE3 4.31Å; L307-W315 HydrophobicContact CB-CH2 3.84Å; L307-W315 HydrophobicContact CB-CZ3 3.72Å; L307-W315 HydrophobicContact CD2-CD2 4.21Å; L307-W315 HydrophobicContact CD2-CE3 4Å; L307-W315 HydrophobicContact CD2-CZ3 4.28Å; L307-L319 HydrophobicContact CD1-CB 4.06Å; L307-L319 HydrophobicContact CD1-CD1 4.08Å |
| 308 | F | 77 | Confident | 85.7 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 20% | 0.197 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79.1 | -13.8 | -176.5 | -65.6 | -87.5 | 0 | 0 | 0 | 112.8 | T305 G310 W315 L512 | T305-F308 PolarHBondContact O-N 3.38Å; T305-F308 VanDerWaalsContact O-N 3.1Å; F308-G310 VanDerWaalsContact C-N 3.27Å; F308-G310 PolarHBondContact O-N 3.2Å; F308-W315 HydrophobicContact CD1-CH2 4.12Å; F308-W315 AromaticContact CE1-CH2 3.92Å; F308-W315 HydrophobicContact CE1-CH2 3.92Å; F308-W315 HydrophobicContact CE1-CZ2 4.47Å; F308-W315 HydrophobicContact CE2-CH2 4.33Å; F308-W315 HydrophobicContact CG-CH2 4.43Å; F308-W315 HydrophobicContact CZ-CH2 4.03Å; F308-W315 HydrophobicContact CZ-CZ2 4.31Å; F308-L512 HydrophobicContact CE2-CD2 4.48Å; F308-L512 HydrophobicContact CZ-CD2 3.97Å |
| 309 | A | 71.4 | Confident | 85.6 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L307 | L307-A309 VanDerWaalsContact C-N 3.3Å; L307-A309 PolarHBondContact O-N 2.78Å |
| 310 | G | 67.2 | Low | 85.6 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 179.2 | -178.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F308 C312 | F308-G310 VanDerWaalsContact C-N 3.27Å; F308-G310 PolarHBondContact O-N 3.2Å; G310-C312 PolarHBondContact O-N 2.91Å |
| 311 | K | 69 | Low | 85.5 | Confident | 216 Ų | 216 | 72.6 Ų | 72.6 | 94% | 0.939 | 39% | 0.389 | S | S | * | . | trans | -70 | 101.1 | 176.3 | -69.3 | -170.7 | 176.8 | -171.1 | 0 | 110.5 | P313 | K311-P313 WeakPolarHBondContact O-CD 3.48Š| ||
| 312 | C | 74.5 | Confident | 85.6 | Confident | 41 Ų | 41 | 72 Ų | 72 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | trans | -94.6 | 100.6 | 175.4 | -163.2 | 0 | 0 | 0 | 0 | 111.3 | L307 G310 N314 W315 S318 | L307-C312 HydrophobicContact CD2-CB 4.38Å; G310-C312 PolarHBondContact O-N 2.91Å; C312-N314 PolarHBondContact O-N 2.93Å; C312-W315 HydrophobicContact CB-CE3 4.19Å; C312-W315 PolarHBondContact O-N 2.9Å; C312-S318 PolarHBondContact SG-OG 3.01Å | ||
| 313 | P | 80.6 | Confident | 85.9 | Confident | 120 Ų | 120 | 71.1 Ų | 71.1 | 78% | 0.779 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -22.3 | -178.7 | 28 | -36.1 | 0 | 0 | 0 | 113.2 | K311 | K311-P313 WeakPolarHBondContact O-CD 3.48Š|
| 314 | N | 88.2 | Confident | 86.2 | Confident | 110 Ų | 110 | 69.2 Ų | 69.2 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 38.2 | 180 | -63.7 | -46.8 | 0 | 0 | 0 | 111.7 | C312 F316 S317 S318 | C312-N314 PolarHBondContact O-N 2.93Å; N314-F316 PolarHBondContact O-N 2.94Å; N314-S317 PolarHBondContact O-N 3.45Å; N314-S317 VanDerWaalsContact O-N 3.12Å; N314-S318 PolarHBondContact O-N 3.22Å; N314-S318 PolarHBondContact O-OG 3.39Å |
| 315 | W | 89.5 | Confident | 86.5 | Confident | 79 Ų | 79 | 70 Ų | 70 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -42.8 | -56.9 | -169.5 | -178.9 | -91.1 | 0 | 0 | 0 | 113.8 | L307 F308 C312 S317 S318 L319 L512 | L307-W315 HydrophobicContact CB-CE3 4.31Å; L307-W315 HydrophobicContact CB-CH2 3.84Å; L307-W315 HydrophobicContact CB-CZ3 3.72Å; L307-W315 HydrophobicContact CD2-CD2 4.21Å; L307-W315 HydrophobicContact CD2-CE3 4Å; L307-W315 HydrophobicContact CD2-CZ3 4.28Å; F308-W315 HydrophobicContact CD1-CH2 4.12Å; F308-W315 AromaticContact CE1-CH2 3.92Å; F308-W315 HydrophobicContact CE1-CH2 3.92Å; F308-W315 HydrophobicContact CE1-CZ2 4.47Å; F308-W315 HydrophobicContact CE2-CH2 4.33Å; F308-W315 HydrophobicContact CG-CH2 4.43Å; F308-W315 HydrophobicContact CZ-CH2 4.03Å; F308-W315 HydrophobicContact CZ-CZ2 4.31Å; C312-W315 HydrophobicContact CB-CE3 4.19Å; C312-W315 PolarHBondContact O-N 2.9Å; W315-S317 PolarHBondContact O-N 2.95Å; W315-S318 PolarHBondContact O-N 3.39Å; W315-S318 VanDerWaalsContact O-N 3.16Å; W315-L319 WeakPolarHBondContact O-CB 3.32Å; W315-L319 PolarHBondContact O-N 3.14Å; W315-L512 HydrophobicContact CZ2-CD2 3.84Å |
| 316 | F | 91.3 | Very high | 87.1 | Confident | 153 Ų | 153 | 72.4 Ų | 72.4 | 67% | 0.671 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | -176.8 | -62.1 | -69.3 | 0 | 0 | 0 | 113.3 | N314 S318 L319 E320 | N314-F316 PolarHBondContact O-N 2.94Å; F316-S318 VanDerWaalsContact C-N 3.29Å; F316-S318 PolarHBondContact O-N 3.48Å; F316-L319 PolarHBondContact O-N 3.38Å; F316-E320 WeakPolarHBondContact O-CB 3.3Å; F316-E320 PolarHBondContact O-N 2.89Å |
| 317 | S | 93.2 | Very high | 87.8 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.1 | -19.7 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | N314 W315 K321 | N314-S317 PolarHBondContact O-N 3.45Å; N314-S317 VanDerWaalsContact O-N 3.12Å; W315-S317 PolarHBondContact O-N 2.95Å; S317-K321 VanDerWaalsContact O-CD 3.27Å; S317-K321 WeakPolarHBondContact O-CD 3.21Å; S317-K321 WeakPolarHBondContact O-CG 3.44Å; S317-K321 PolarHBondContact O-N 2.78Å |
| 318 | S | 92.8 | Very high | 88.4 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -83.4 | -36.6 | 171.7 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | C312 N314 W315 F316 K321 S322 | C312-S318 PolarHBondContact SG-OG 3.01Å; N314-S318 PolarHBondContact O-N 3.22Å; N314-S318 PolarHBondContact O-OG 3.39Å; W315-S318 PolarHBondContact O-N 3.39Å; W315-S318 VanDerWaalsContact O-N 3.16Å; F316-S318 VanDerWaalsContact C-N 3.29Å; F316-S318 PolarHBondContact O-N 3.48Å; S318-K321 PolarHBondContact O-N 2.8Å; S318-S322 PolarHBondContact O-N 3.45Å |
| 319 | L | 92.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 170.2 | 179.2 | 60.9 | 0 | 0 | 0 | 111.7 | L304 L307 W315 F316 K321 S322 L325 L512 | L304-L319 HydrophobicContact CD1-CD1 3.49Å; L304-L319 VanDerWaalsContact CD1-CD1 3.49Å; L307-L319 HydrophobicContact CD1-CB 4.06Å; L307-L319 HydrophobicContact CD1-CD1 4.08Å; W315-L319 WeakPolarHBondContact O-CB 3.32Å; W315-L319 PolarHBondContact O-N 3.14Å; F316-L319 PolarHBondContact O-N 3.38Å; L319-K321 PolarHBondContact O-N 2.93Å; L319-S322 WeakPolarHBondContact O-CB 3.37Å; L319-S322 PolarHBondContact O-N 3.38Å; L319-S322 PolarHBondContact O-OG 2.91Å; L319-L325 HydrophobicContact CD1-CD1 4.46Å; L319-L325 HydrophobicContact CD2-CD1 4.09Å; L319-L325 HydrophobicContact CG-CD1 4.35Å; L319-L512 HydrophobicContact CD1-CD1 4.39Å; L319-L512 HydrophobicContact CD1-CD2 4.2Å; L319-L512 HydrophobicContact CD2-CD2 4.27Å |
| 320 | E | 94.4 | Very high | 90.7 | Very high | 147 Ų | 147 | 66 Ų | 66 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -55.8 | -49.4 | 171.1 | -175 | -171.5 | -175.9 | 0 | 0 | 111.1 | F316 S322 S323 | F316-E320 WeakPolarHBondContact O-CB 3.3Å; F316-E320 PolarHBondContact O-N 2.89Å; E320-S322 VanDerWaalsContact C-N 3.3Å; E320-S322 PolarHBondContact O-N 2.99Å; E320-S323 PolarHBondContact O-N 3.34Å |
| 321 | K | 94.9 | Very high | 92.2 | Very high | 157 Ų | 157 | 63.8 Ų | 63.8 | 68% | 0.683 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.6 | -30.9 | 178.3 | -74.9 | 166.9 | -167.9 | 170.6 | 0 | 114.1 | S317 S318 L319 S323 | S317-K321 VanDerWaalsContact O-CD 3.27Å; S317-K321 WeakPolarHBondContact O-CD 3.21Å; S317-K321 WeakPolarHBondContact O-CG 3.44Å; S317-K321 PolarHBondContact O-N 2.78Å; S318-K321 PolarHBondContact O-N 2.8Å; L319-K321 PolarHBondContact O-N 2.93Å; K321-S323 PolarHBondContact O-N 3.28Å; K321-S323 VanDerWaalsContact O-N 3.13Å; K321-S323 PolarHBondContact O-OG 3.41Å |
| 322 | S | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.3 | 173.6 | 79.3 | 0 | 0 | 0 | 0 | 112.7 | N300 S318 L319 E320 W324 | N300-S322 WeakPolarHBondContact CA-O 3.4Å; N300-S322 WeakPolarHBondContact CB-O 3.42Å; N300-S322 PolarHBondContact OD1-O 3.21Å; S318-S322 PolarHBondContact O-N 3.45Å; L319-S322 WeakPolarHBondContact O-CB 3.37Å; L319-S322 PolarHBondContact O-N 3.38Å; L319-S322 PolarHBondContact O-OG 2.91Å; E320-S322 VanDerWaalsContact C-N 3.3Å; E320-S322 PolarHBondContact O-N 2.99Å; S322-W324 PolarHBondContact O-N 2.91Å; S322-W324 PolarHBondContact OG-N 3.4Å |
| 323 | S | 97.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 29% | 0.29 | S | S | . | . | trans | 55.9 | 7 | -173.7 | -53.4 | 0 | 0 | 0 | 0 | 114.4 | E320 K321 N326 N327 | E320-S323 PolarHBondContact O-N 3.34Å; K321-S323 PolarHBondContact O-N 3.28Å; K321-S323 VanDerWaalsContact O-N 3.13Å; K321-S323 PolarHBondContact O-OG 3.41Å; S323-N326 WeakPolarHBondContact O-CB 3.18Å; S323-N326 PolarHBondContact O-N 3.13Å; S323-N326 VanDerWaalsContact O-N 3.12Å; S323-N327 PolarHBondContact O-N 3.11Å; S323-N327 PolarHBondContact O-ND2 3.43Å; S323-N327 PolarHBondContact O-OD1 3.37Å | ||
| 324 | W | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -56.5 | -170.7 | -174.3 | -101.4 | 0 | 0 | 0 | 112 | V297 F301 L304 S322 N326 N327 I328 P414 Q418 D421 Y517 | V297-W324 HydrophobicContact CG1-CZ3 4.06Å; F301-W324 HydrophobicContact CB-CE3 4.13Å; F301-W324 HydrophobicContact CB-CH2 4.39Å; F301-W324 HydrophobicContact CB-CZ3 3.69Å; F301-W324 HydrophobicContact CD2-CD2 4.42Å; F301-W324 HydrophobicContact CD2-CE3 4.06Å; F301-W324 AromaticContact CD2-CH2 3.69Å; F301-W324 HydrophobicContact CD2-CH2 3.69Å; F301-W324 HydrophobicContact CD2-CZ2 4.07Å; F301-W324 AromaticContact CD2-CZ3 3.69Å; F301-W324 HydrophobicContact CD2-CZ3 3.69Å; F301-W324 HydrophobicContact CE2-CH2 4.38Å; F301-W324 HydrophobicContact CE2-CZ2 4.46Å; F301-W324 HydrophobicContact CG-CH2 4.36Å; F301-W324 HydrophobicContact CG-CZ3 4.11Å; L304-W324 HydrophobicContact CB-CB 4.38Å; L304-W324 HydrophobicContact CD1-CB 4.12Å; L304-W324 HydrophobicContact CD1-CG 4.35Å; L304-W324 HydrophobicContact CD2-CB 4.33Å; L304-W324 HydrophobicContact CD2-CD2 4.03Å; L304-W324 HydrophobicContact CD2-CG 3.77Å; L304-W324 HydrophobicContact CG-CG 4.45Å; S322-W324 PolarHBondContact O-N 2.91Å; S322-W324 PolarHBondContact OG-N 3.4Å; W324-N326 PolarHBondContact O-N 3.41Å; W324-N327 WeakPolarHBondContact O-CB 3.41Å; W324-N327 PolarHBondContact O-N 3.46Å; W324-I328 HydrophobicContact CZ2-CD1 4.5Å; W324-I328 WeakPolarHBondContact O-CG1 3.32Å; W324-I328 PolarHBondContact O-N 3.04Å; W324-P414 HydrophobicContact CH2-CG 4.08Å; W324-P414 HydrophobicContact CZ3-CG 4.26Å; W324-Q418 HydrophobicContact CH2-CB 3.67Å; W324-Q418 HydrophobicContact CH2-CG 3.84Å; W324-Q418 HydrophobicContact CZ2-CB 3.99Å; W324-Q418 HydrophobicContact CZ2-CG 4.04Å; W324-Q418 HydrophobicContact CZ3-CG 4.41Å; W324-D421 PolarHBondContact NE1-OD2 3.09Å; W324-Y517 WeakPolarHBondContact CZ2-OH 3.33Å; W324-Y517 PolarHBondContact NE1-OH 2.89Å |
| 325 | L | 97.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -27.3 | 177 | -62.7 | 178.2 | 0 | 0 | 0 | 112.9 | L319 G329 V507 L510 | L319-L325 HydrophobicContact CD1-CD1 4.46Å; L319-L325 HydrophobicContact CD2-CD1 4.09Å; L319-L325 HydrophobicContact CG-CD1 4.35Å; L325-G329 PolarHBondContact O-N 3.27Å; L325-V507 HydrophobicContact CB-CG1 3.98Å; L325-V507 HydrophobicContact CD1-CG1 4.45Å; L325-L510 HydrophobicContact CD2-CB 4.39Å; L325-L510 WeakPolarHBondContact O-CD1 3.49Å |
| 326 | N | 97.6 | Very high | 96.6 | Very high | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67 | -43.3 | 171.6 | 173.6 | 84.1 | 0 | 0 | 0 | 111.1 | S323 W324 I328 G329 Q330 V507 | S323-N326 WeakPolarHBondContact O-CB 3.18Å; S323-N326 PolarHBondContact O-N 3.13Å; S323-N326 VanDerWaalsContact O-N 3.12Å; W324-N326 PolarHBondContact O-N 3.41Å; N326-I328 VanDerWaalsContact C-N 3.33Å; N326-I328 PolarHBondContact O-N 3.47Å; N326-G329 PolarHBondContact O-N 2.98Å; N326-Q330 PolarHBondContact ND2-NE2 2.95Å; N326-Q330 VanDerWaalsContact ND2-NE2 3.11Å; N326-Q330 WeakPolarHBondContact O-CG 3.25Å; N326-Q330 PolarHBondContact O-N 2.8Å; N326-V507 HydrophobicContact CB-CG2 4.4Å |
| 327 | N | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 176.5 | -47.6 | -39.6 | 0 | 0 | 0 | 111.4 | P292 N300 S323 W324 Q330 L331 Q418 | P292-N327 HydrophobicContact CG-CB 4.36Å; N300-N327 PolarHBondContact ND2-ND2 3.48Å; N300-N327 PolarHBondContact ND2-OD1 3.48Å; S323-N327 PolarHBondContact O-N 3.11Å; S323-N327 PolarHBondContact O-ND2 3.43Å; S323-N327 PolarHBondContact O-OD1 3.37Å; W324-N327 WeakPolarHBondContact O-CB 3.41Å; W324-N327 PolarHBondContact O-N 3.46Å; N327-Q330 PolarHBondContact O-N 3.38Å; N327-L331 WeakPolarHBondContact O-CG 3.47Å; N327-L331 PolarHBondContact O-N 3.03Å; N327-Q418 VanDerWaalsContact CB-NE2 3.3Å |
| 328 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -49.4 | 173.5 | -60.4 | -60.9 | 0 | 0 | 0 | 110.4 | W324 N326 Q330 L331 L332 Q418 D421 Q425 L510 | W324-I328 HydrophobicContact CZ2-CD1 4.5Å; W324-I328 WeakPolarHBondContact O-CG1 3.32Å; W324-I328 PolarHBondContact O-N 3.04Å; N326-I328 VanDerWaalsContact C-N 3.33Å; N326-I328 PolarHBondContact O-N 3.47Å; I328-Q330 VanDerWaalsContact C-N 3.34Å; I328-Q330 PolarHBondContact O-N 3.4Å; I328-L331 PolarHBondContact O-N 2.69Å; I328-L332 HydrophobicContact CG2-CD1 3.91Å; I328-L332 HydrophobicContact CG2-CG 4.39Å; I328-L332 VanDerWaalsContact O-CG 3.31Å; I328-L332 WeakPolarHBondContact O-CG 3.24Å; I328-L332 PolarHBondContact O-N 2.91Å; I328-Q418 HydrophobicContact CD1-CG 3.7Å; I328-Q418 VanDerWaalsContact CD1-O 3.28Å; I328-Q418 WeakPolarHBondContact CD1-O 3.03Å; I328-D421 HydrophobicContact CD1-CB 3.79Å; I328-Q425 HydrophobicContact CG2-CG 3.64Å; I328-L510 HydrophobicContact CB-CD1 4.31Å; I328-L510 HydrophobicContact CG2-CD1 4.09Å |
| 329 | G | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 35 Ų | 35 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L325 N326 K333 C505 | L325-G329 PolarHBondContact O-N 3.27Å; N326-G329 PolarHBondContact O-N 2.98Å; G329-K333 VanDerWaalsContact O-CB 3.27Å; G329-K333 WeakPolarHBondContact O-CB 3.36Å; G329-K333 PolarHBondContact O-N 3.37Å; G329-C505 VanDerWaalsContact CA-O 3.3Å; G329-C505 WeakPolarHBondContact CA-O 3.47Å |
| 330 | Q | 98.2 | Very high | 97.7 | Very high | 63 Ų | 63 | 36 Ų | 36 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.2 | -41 | 175.4 | -71.7 | 175.4 | -7.5 | 0 | 0 | 112.7 | L291 N326 N327 I328 K333 T334 | L291-Q330 HydrophobicContact CD2-CB 3.69Å; N326-Q330 PolarHBondContact ND2-NE2 2.95Å; N326-Q330 VanDerWaalsContact ND2-NE2 3.11Å; N326-Q330 WeakPolarHBondContact O-CG 3.25Å; N326-Q330 PolarHBondContact O-N 2.8Å; N327-Q330 PolarHBondContact O-N 3.38Å; I328-Q330 VanDerWaalsContact C-N 3.34Å; I328-Q330 PolarHBondContact O-N 3.4Å; Q330-K333 PolarHBondContact O-N 3.37Å; Q330-T334 WeakPolarHBondContact O-CB 3.2Å; Q330-T334 PolarHBondContact O-N 3.15Å; Q330-T334 PolarHBondContact O-OG1 3.34Å |
| 331 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 175.1 | -78.5 | 171.8 | 0 | 0 | 0 | 111.9 | L291 N327 I328 T334 A335 Q362 I363 L366 Q418 | L291-L331 HydrophobicContact CD1-CD2 3.82Å; L291-L331 HydrophobicContact CD2-CD2 4.15Å; L291-L331 HydrophobicContact CD2-CG 4.34Å; N327-L331 WeakPolarHBondContact O-CG 3.47Å; N327-L331 PolarHBondContact O-N 3.03Å; I328-L331 PolarHBondContact O-N 2.69Å; L331-T334 PolarHBondContact O-N 2.82Å; L331-A335 WeakPolarHBondContact O-CB 3.39Å; L331-A335 PolarHBondContact O-N 2.93Å; L331-Q362 HydrophobicContact CD2-CB 3.94Å; L331-I363 HydrophobicContact CD2-CG2 3.84Å; L331-L366 HydrophobicContact CB-CD1 4.15Å; L331-Q418 HydrophobicContact CD1-CG 3.81Å |
| 332 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.8 | -68.1 | 173.8 | 0 | 0 | 0 | 111.9 | I328 A335 S336 C422 Q425 I426 C505 L510 | I328-L332 HydrophobicContact CG2-CD1 3.91Å; I328-L332 HydrophobicContact CG2-CG 4.39Å; I328-L332 VanDerWaalsContact O-CG 3.31Å; I328-L332 WeakPolarHBondContact O-CG 3.24Å; I328-L332 PolarHBondContact O-N 2.91Å; L332-A335 PolarHBondContact O-N 2.85Å; L332-S336 WeakPolarHBondContact O-CB 3.39Å; L332-S336 PolarHBondContact O-N 2.89Å; L332-S336 PolarHBondContact O-OG 3.22Å; L332-C422 HydrophobicContact CD2-CB 3.86Å; L332-C422 HydrophobicContact CG-CB 4.33Å; L332-Q425 HydrophobicContact CD1-CB 3.86Å; L332-Q425 HydrophobicContact CD1-CG 4.18Å; L332-I426 HydrophobicContact CD2-CD1 3.6Å; L332-I426 HydrophobicContact CD2-CG1 3.51Å; L332-C505 HydrophobicContact CB-CB 4.3Å; L332-C505 VanDerWaalsContact CB-SG 3.59Å; L332-L510 HydrophobicContact CD1-CD2 3.77Å |
| 333 | K | 98.5 | Very high | 97.8 | Very high | 113 Ų | 113 | 22.5 Ų | 22.5 | 49% | 0.491 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -61.1 | -50.9 | 176 | -178.3 | -171.7 | 164.4 | -170.9 | 0 | 110.8 | G329 Q330 A335 S336 E337 C505 | G329-K333 VanDerWaalsContact O-CB 3.27Å; G329-K333 WeakPolarHBondContact O-CB 3.36Å; G329-K333 PolarHBondContact O-N 3.37Å; Q330-K333 PolarHBondContact O-N 3.37Å; K333-A335 VanDerWaalsContact C-N 3.32Å; K333-A335 PolarHBondContact O-N 3.4Å; K333-S336 WeakPolarHBondContact O-CB 3.15Å; K333-S336 PolarHBondContact O-N 3.05Å; K333-S336 VanDerWaalsContact O-N 3.14Å; K333-E337 WeakPolarHBondContact CE-OE1 3.49Å; K333-E337 IonicContact NZ-OE1 3.56Å; K333-E337 PolarHBondContact O-N 3.05Å; K333-C505 VanDerWaalsContact CA-SG 3.57Å; K333-C505 HydrophobicContact CB-CB 3.97Å; K333-C505 PolarHBondContact N-SG 2.8Å |
| 334 | T | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | V257 M289 L291 Q330 L331 S336 E337 I338 I363 | V257-T334 HydrophobicContact CG1-CG2 4.43Å; M289-T334 HydrophobicContact CB-CG2 4.03Å; M289-T334 HydrophobicContact CE-CG2 4.15Å; M289-T334 HydrophobicContact CG-CG2 3.62Å; M289-T334 HydrophobicContact SD-CG2 3.95Å; L291-T334 HydrophobicContact CD1-CG2 4.16Å; Q330-T334 WeakPolarHBondContact O-CB 3.2Å; Q330-T334 PolarHBondContact O-N 3.15Å; Q330-T334 PolarHBondContact O-OG1 3.34Å; L331-T334 PolarHBondContact O-N 2.82Å; T334-S336 VanDerWaalsContact C-N 3.35Å; T334-S336 PolarHBondContact O-N 3.09Å; T334-E337 PolarHBondContact O-N 3.08Å; T334-I338 HydrophobicContact CG2-CD1 3.98Å; T334-I338 WeakPolarHBondContact O-CD1 3.5Å; T334-I338 VanDerWaalsContact O-CG1 3.29Å; T334-I338 WeakPolarHBondContact O-CG1 3.47Å; T334-I338 PolarHBondContact O-N 2.82Å; T334-I338 VanDerWaalsContact O-N 3.11Å; T334-I363 HydrophobicContact CG2-CB 4.09Å; T334-I363 HydrophobicContact CG2-CD1 4.06Å; T334-I363 HydrophobicContact CG2-CG2 3.7Å |
| 335 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L331 L332 K333 I338 A339 L366 L370 | L331-A335 WeakPolarHBondContact O-CB 3.39Å; L331-A335 PolarHBondContact O-N 2.93Å; L332-A335 PolarHBondContact O-N 2.85Å; K333-A335 VanDerWaalsContact C-N 3.32Å; K333-A335 PolarHBondContact O-N 3.4Å; A335-I338 PolarHBondContact O-N 2.78Å; A335-A339 WeakPolarHBondContact O-CB 3.41Å; A335-A339 PolarHBondContact O-N 3.15Å; A335-L366 HydrophobicContact CB-CB 3.34Å; A335-L366 HydrophobicContact CB-CD1 4.25Å; A335-L366 HydrophobicContact CB-CG 4.42Å; A335-L370 HydrophobicContact CB-CD1 3.88Å |
| 336 | S | 98.4 | Very high | 97.1 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.5 | -56 | 0 | 0 | 0 | 0 | 111.6 | L332 K333 T334 I338 A339 I340 P503 | L332-S336 WeakPolarHBondContact O-CB 3.39Å; L332-S336 PolarHBondContact O-N 2.89Å; L332-S336 PolarHBondContact O-OG 3.22Å; K333-S336 WeakPolarHBondContact O-CB 3.15Å; K333-S336 PolarHBondContact O-N 3.05Å; K333-S336 VanDerWaalsContact O-N 3.14Å; T334-S336 VanDerWaalsContact C-N 3.35Å; T334-S336 PolarHBondContact O-N 3.09Å; S336-I338 VanDerWaalsContact C-N 3.34Å; S336-I338 PolarHBondContact O-N 2.76Å; S336-A339 PolarHBondContact O-N 3.09Å; S336-I340 WeakPolarHBondContact O-CB 3.02Å; S336-I340 WeakPolarHBondContact O-CD1 3.26Å; S336-I340 VanDerWaalsContact O-CG1 3.28Å; S336-I340 WeakPolarHBondContact O-CG1 3.29Å; S336-I340 PolarHBondContact O-N 3.36Å; S336-P503 WeakPolarHBondContact OG-CD 3.39Å |
| 337 | E | 98.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 27.3 Ų | 27.3 | 35% | 0.35 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.8 | -38 | 175.8 | -71.6 | 178.7 | -175.2 | 0 | 0 | 112 | K333 T334 A341 | K333-E337 WeakPolarHBondContact CE-OE1 3.49Å; K333-E337 IonicContact NZ-OE1 3.56Å; K333-E337 PolarHBondContact O-N 3.05Å; T334-E337 PolarHBondContact O-N 3.08Å; E337-A341 VanDerWaalsContact O-CB 3.28Å; E337-A341 WeakPolarHBondContact O-CB 3.42Å; E337-A341 PolarHBondContact O-N 3.15Å |
| 338 | I | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.7 | -45.9 | 172.7 | -64.5 | 158.8 | 0 | 0 | 0 | 111.2 | L210 V257 T334 A335 S336 A341 L342 V349 V351 I363 A367 | L210-I338 HydrophobicContact CD1-CG2 3.9Å; V257-I338 HydrophobicContact CG1-CD1 4.38Å; V257-I338 HydrophobicContact CG2-CG1 4.26Å; T334-I338 HydrophobicContact CG2-CD1 3.98Å; T334-I338 WeakPolarHBondContact O-CD1 3.5Å; T334-I338 VanDerWaalsContact O-CG1 3.29Å; T334-I338 WeakPolarHBondContact O-CG1 3.47Å; T334-I338 PolarHBondContact O-N 2.82Å; T334-I338 VanDerWaalsContact O-N 3.11Å; A335-I338 PolarHBondContact O-N 2.78Å; S336-I338 VanDerWaalsContact C-N 3.34Å; S336-I338 PolarHBondContact O-N 2.76Å; I338-A341 WeakPolarHBondContact O-CB 3.49Å; I338-A341 PolarHBondContact O-N 2.64Å; I338-L342 HydrophobicContact CG2-CD1 3.95Å; I338-L342 WeakPolarHBondContact O-CG 3.33Å; I338-L342 PolarHBondContact O-N 3.41Å; I338-V349 HydrophobicContact CG1-CG1 4.3Å; I338-V349 HydrophobicContact CG2-CB 4.32Å; I338-V349 HydrophobicContact CG2-CG1 4.04Å; I338-V349 HydrophobicContact CG2-CG2 4.46Å; I338-V351 HydrophobicContact CD1-CG1 3.69Å; I338-V351 HydrophobicContact CG1-CG1 4.37Å; I338-I363 HydrophobicContact CD1-CB 3.96Å; I338-I363 HydrophobicContact CD1-CD1 4.06Å; I338-I363 HydrophobicContact CD1-CG1 4.04Å; I338-A367 HydrophobicContact CB-CB 3.8Å; I338-A367 HydrophobicContact CG2-CB 3.49Å; I338-A367 VanDerWaalsContact CG2-CB 3.49Å |
| 339 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A335 S336 A341 L342 E343 L370 A371 L500 | A335-A339 WeakPolarHBondContact O-CB 3.41Å; A335-A339 PolarHBondContact O-N 3.15Å; S336-A339 PolarHBondContact O-N 3.09Å; A339-A341 VanDerWaalsContact C-N 3.34Å; A339-A341 PolarHBondContact O-N 3.05Å; A339-L342 PolarHBondContact O-N 3.46Å; A339-E343 PolarHBondContact O-N 2.77Å; A339-L370 HydrophobicContact CB-CB 3.94Å; A339-A371 HydrophobicContact CB-CB 4.21Å; A339-L500 HydrophobicContact CB-CD1 3.7Å |
| 340 | I | 97.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 26.8 Ų | 26.8 | 22% | 0.221 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 173.8 | -70.3 | 165.2 | 0 | 0 | 0 | 111.3 | S336 E344 N345 L500 Q502 | S336-I340 WeakPolarHBondContact O-CB 3.02Å; S336-I340 WeakPolarHBondContact O-CD1 3.26Å; S336-I340 VanDerWaalsContact O-CG1 3.28Å; S336-I340 WeakPolarHBondContact O-CG1 3.29Å; S336-I340 PolarHBondContact O-N 3.36Å; I340-E344 HydrophobicContact CG2-CB 4.3Å; I340-E344 HydrophobicContact CG2-CG 4.46Å; I340-E344 WeakPolarHBondContact O-CB 3.45Å; I340-E344 PolarHBondContact O-N 2.99Å; I340-E344 VanDerWaalsContact O-N 3.09Å; I340-N345 PolarHBondContact O-N 2.75Å; I340-N345 PolarHBondContact O-ND2 2.69Å; I340-L500 HydrophobicContact CG1-CD2 4.2Å; I340-Q502 HydrophobicContact CD1-CG 4.16Å; I340-Q502 HydrophobicContact CG1-CG 4.37Å |
| 341 | A | 95.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M255 E337 I338 A339 N345 A346 R347 V349 | M255-A341 HydrophobicContact CE-CB 3.48Å; M255-A341 VanDerWaalsContact CE-CB 3.48Å; M255-A341 HydrophobicContact SD-CB 4.38Å; E337-A341 VanDerWaalsContact O-CB 3.28Å; E337-A341 WeakPolarHBondContact O-CB 3.42Å; E337-A341 PolarHBondContact O-N 3.15Å; I338-A341 WeakPolarHBondContact O-CB 3.49Å; I338-A341 PolarHBondContact O-N 2.64Å; A339-A341 VanDerWaalsContact C-N 3.34Å; A339-A341 PolarHBondContact O-N 3.05Å; A341-N345 CarbonylContact O-C 3.38Å; A341-N345 WeakPolarHBondContact O-CB 3.48Å; A341-A346 PolarHBondContact O-N 2.81Å; A341-R347 HydrophobicContact CB-CB 4.38Å; A341-R347 WeakPolarHBondContact O-CB 3.46Å; A341-R347 PolarHBondContact O-N 2.8Å; A341-V349 HydrophobicContact CB-CG2 3.71Å |
| 342 | L | 95.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.2 | -52.6 | 179.3 | -66.1 | 162.3 | 0 | 0 | 0 | 112.6 | W201 T206 A208 V209 L210 I338 A339 A346 V349 | W201-L342 HydrophobicContact CE3-CD1 4.09Å; W201-L342 HydrophobicContact CZ3-CB 4.1Å; W201-L342 HydrophobicContact CZ3-CD1 4.01Å; W201-L342 HydrophobicContact CZ3-CG 4.49Å; T206-L342 WeakPolarHBondContact CG2-O 3.4Å; T206-L342 PolarHBondContact OG1-O 3.07Å; A208-L342 HydrophobicContact CB-CD2 4.3Å; V209-L342 WeakPolarHBondContact O-CD2 3.44Å; L210-L342 HydrophobicContact CB-CD1 4.03Å; L210-L342 HydrophobicContact CB-CD2 4.31Å; L210-L342 HydrophobicContact CD1-CD1 4.41Å; L210-L342 HydrophobicContact CD2-CD1 4.49Å; I338-L342 HydrophobicContact CG2-CD1 3.95Å; I338-L342 WeakPolarHBondContact O-CG 3.33Å; I338-L342 PolarHBondContact O-N 3.41Å; A339-L342 PolarHBondContact O-N 3.46Å; L342-A346 WeakPolarHBondContact O-CA 3.48Å; L342-A346 PolarHBondContact O-N 3.29Å; L342-V349 HydrophobicContact CD2-CB 4.26Å; L342-V349 HydrophobicContact CD2-CG2 3.89Å; L342-V349 HydrophobicContact CG-CG2 3.9Å |
| 343 | E | 94.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -87.3 | -41.2 | -168.6 | -68.2 | -53 | 88.5 | 0 | 0 | 114.5 | W201 S203 V205 T206 A339 A371 H499 L500 | W201-E343 HydrophobicContact CH2-CG 4.4Å; W201-E343 VanDerWaalsContact CH2-OE1 3.27Å; W201-E343 WeakPolarHBondContact CH2-OE1 3.22Å; S203-E343 WeakPolarHBondContact CB-OE1 3.4Å; S203-E343 PolarHBondContact OG-OE1 2.93Å; S203-E343 PolarHBondContact OG-OE2 3.4Å; V205-E343 WeakPolarHBondContact CG2-OE2 3.16Å; T206-E343 WeakPolarHBondContact CG2-O 3.11Å; A339-E343 PolarHBondContact O-N 2.77Å; E343-A371 HydrophobicContact CG-CB 3.82Å; E343-H499 IonicContact OE2-CD2 2.8Å; E343-H499 IonicContact OE2-CE1 2.89Å; E343-H499 IonicContact OE2-NE2 3.47Å; E343-H499 PolarHBondContact OE2-NE2 3.21Å; E343-L500 HydrophobicContact CB-CD1 4.4Å; E343-L500 HydrophobicContact CB-CD2 4.11Å; E343-L500 HydrophobicContact CG-CD1 4.31Å |
| 344 | E | 92.2 | Very high | 96.7 | Very high | 101 Ų | 101 | 19.3 Ų | 19.3 | 47% | 0.472 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -38.4 | -178.9 | -59 | -172 | 173.1 | 0 | 0 | 111.5 | K242 I340 L500 Q502 | K242-E344 WeakPolarHBondContact CE-O 3.21Å; K242-E344 PolarHBondContact NZ-O 2.99Å; I340-E344 HydrophobicContact CG2-CB 4.3Å; I340-E344 HydrophobicContact CG2-CG 4.46Å; I340-E344 WeakPolarHBondContact O-CB 3.45Å; I340-E344 PolarHBondContact O-N 2.99Å; I340-E344 VanDerWaalsContact O-N 3.09Å; E344-L500 HydrophobicContact CG-CD2 3.7Å; E344-Q502 PolarHBondContact OE1-NE2 2.91Å |
| 345 | N | 91.8 | Very high | 96.7 | Very high | 82 Ų | 82 | 20.7 Ų | 20.7 | 44% | 0.439 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -10.7 | -174.8 | -65.3 | -70.9 | 0 | 0 | 0 | 114.3 | K242 I340 A341 R347 | K242-N345 VanDerWaalsContact CE-C 3.48Å; K242-N345 WeakPolarHBondContact CE-O 3.37Å; K242-N345 PolarHBondContact NZ-O 3.45Å; I340-N345 PolarHBondContact O-N 2.75Å; I340-N345 PolarHBondContact O-ND2 2.69Å; A341-N345 CarbonylContact O-C 3.38Å; A341-N345 WeakPolarHBondContact O-CB 3.48Å; N345-R347 HydrophobicContact CB-CB 4.17Å; N345-R347 PolarHBondContact O-N 3.42Å |
| 346 | A | 93.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 5% | 0.05 | 10% | 0.104 | C | C | . | . | trans | 55.3 | 28.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T206 K242 A341 L342 | T206-A346 HydrophobicContact CG2-CB 3.86Å; K242-A346 HydrophobicContact CD-CB 4.37Å; K242-A346 HydrophobicContact CG-CB 3.84Å; A341-A346 PolarHBondContact O-N 2.81Å; L342-A346 WeakPolarHBondContact O-CA 3.48Å; L342-A346 PolarHBondContact O-N 3.29Å | ||
| 347 | R | 93.7 | Very high | 96.5 | Very high | 42 Ų | 42 | 20.9 Ų | 20.9 | 16% | 0.158 | 10% | 0.103 | C | C | . | . | trans | -97.3 | 119.8 | -172.2 | -170.5 | 178.1 | -166.8 | -169.4 | 3.3 | 109.5 | R253 L254 M255 E285 A341 N345 V349 | R253-R347 PolarHBondContact O-NE 2.91Å; R253-R347 PolarHBondContact O-NH2 3.43Å; R253-R347 VanDerWaalsContact O-NH2 3.13Å; L254-R347 PolarHBondContact O-NH2 3.1Å; M255-R347 HydrophobicContact CB-CG 4.37Å; E285-R347 VanDerWaalsContact CB-NH2 3.34Å; E285-R347 IonicContact OE2-CZ 2.67Å; E285-R347 IonicContact OE2-NH1 2.77Å; E285-R347 PolarHBondContact OE2-NH1 3.47Å; E285-R347 IonicContact OE2-NH2 2.9Å; E285-R347 PolarHBondContact OE2-NH2 2.89Å; A341-R347 HydrophobicContact CB-CB 4.38Å; A341-R347 WeakPolarHBondContact O-CB 3.46Å; A341-R347 PolarHBondContact O-N 2.8Å; N345-R347 HydrophobicContact CB-CB 4.17Å; N345-R347 PolarHBondContact O-N 3.42Å; R347-V349 WeakPolarHBondContact O-CG2 3.17Å | ||
| 348 | P | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -61.7 | 140.2 | 172.8 | -22.7 | 35.2 | 0 | 0 | 0 | 110.8 | V209 L236 C239 L254 M255 | V209-P348 HydrophobicContact CG2-CB 4.4Å; V209-P348 WeakPolarHBondContact O-CA 3.39Å; L236-P348 HydrophobicContact CD1-CG 4.23Å; C239-P348 HydrophobicContact CB-CG 3.72Å; C239-P348 WeakPolarHBondContact SG-CG 3.49Å; L254-P348 HydrophobicContact CD1-CB 4.08Å; L254-P348 HydrophobicContact CG-CB 4.28Å; M255-P348 PolarHBondContact N-O 3.08Å | ||
| 349 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.1 | -175.7 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | V209 L210 L211 M255 V257 I338 A341 L342 R347 V351 | V209-V349 PolarHBondContact O-N 3.32Å; L210-V349 CarbonylContact C-O 3.54Å; L210-V349 VanDerWaalsContact CA-O 3.31Å; L210-V349 WeakPolarHBondContact CA-O 3.42Å; L210-V349 HydrophobicContact CD1-CB 4.15Å; L210-V349 HydrophobicContact CD1-CG1 4.4Å; L211-V349 WeakPolarHBondContact CD1-O 3.27Å; L211-V349 PolarHBondContact N-O 3.31Å; M255-V349 HydrophobicContact CB-CG1 4.31Å; M255-V349 HydrophobicContact CB-CG2 4.33Å; M255-V349 HydrophobicContact CE-CG1 3.8Å; M255-V349 HydrophobicContact CE-CG2 3.87Å; M255-V349 CarbonylContact O-C 3.57Å; M255-V349 WeakPolarHBondContact O-CA 3.31Å; V257-V349 HydrophobicContact CG2-CG1 3.78Å; I338-V349 HydrophobicContact CG1-CG1 4.3Å; I338-V349 HydrophobicContact CG2-CB 4.32Å; I338-V349 HydrophobicContact CG2-CG1 4.04Å; I338-V349 HydrophobicContact CG2-CG2 4.46Å; A341-V349 HydrophobicContact CB-CG2 3.71Å; L342-V349 HydrophobicContact CD2-CB 4.26Å; L342-V349 HydrophobicContact CD2-CG2 3.89Å; L342-V349 HydrophobicContact CG-CG2 3.9Å; R347-V349 WeakPolarHBondContact O-CG2 3.17Å; V349-V351 HydrophobicContact CG1-CG1 4.4Å |
| 350 | M | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118 | 175.9 | 170.3 | -173.6 | 170.1 | 0 | 0 | 109 | L197 L211 C213 L232 L254 M255 I256 V257 E276 | L197-M350 HydrophobicContact CD1-CE 4.16Å; L197-M350 HydrophobicContact CD2-CE 3.92Å; L197-M350 HydrophobicContact CD2-SD 4.01Å; L197-M350 HydrophobicContact CG-CE 4.06Å; L211-M350 HydrophobicContact CB-CB 4.34Å; L211-M350 HydrophobicContact CD1-CB 4.34Å; L211-M350 WeakPolarHBondContact O-CA 3.42Å; C213-M350 WeakPolarHBondContact SG-CE 3.49Å; L232-M350 HydrophobicContact CD1-CE 4.35Å; L232-M350 HydrophobicContact CD1-SD 3.74Å; L232-M350 HydrophobicContact CD2-SD 3.62Å; L232-M350 HydrophobicContact CG-SD 4.27Å; L254-M350 HydrophobicContact CD2-CB 4.02Å; M255-M350 PolarHBondContact O-N 2.74Å; I256-M350 CarbonylContact C-O 3.25Å; I256-M350 WeakPolarHBondContact CA-O 3.34Å; I256-M350 HydrophobicContact CD1-SD 4Å; I256-M350 HydrophobicContact CG1-CB 4.41Å; I256-M350 HydrophobicContact CG1-SD 3.85Å; I256-M350 HydrophobicContact CG2-SD 4.27Å; V257-M350 PolarHBondContact N-O 3.2Å; E276-M350 WeakPolarHBondContact OE1-CE 3.27Å |
| 351 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.3 | 178.1 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | L210 L211 R212 C213 V257 I338 V349 T360 I363 | L210-V351 HydrophobicContact CD1-CG1 4.17Å; L210-V351 HydrophobicContact CD1-CG2 4.11Å; L211-V351 VanDerWaalsContact O-CG2 3.25Å; L211-V351 WeakPolarHBondContact O-CG2 3.3Å; L211-V351 PolarHBondContact O-N 3.41Å; R212-V351 WeakPolarHBondContact CA-O 3.46Å; R212-V351 HydrophobicContact CB-CG2 4.1Å; C213-V351 PolarHBondContact N-O 3.44Å; V257-V351 HydrophobicContact CB-CG1 4.02Å; V257-V351 HydrophobicContact CG1-CG1 4.38Å; V257-V351 WeakPolarHBondContact O-CA 3.31Å; I338-V351 HydrophobicContact CD1-CG1 3.69Å; I338-V351 HydrophobicContact CG1-CG1 4.37Å; V349-V351 HydrophobicContact CG1-CG1 4.4Å; V351-T360 HydrophobicContact CB-CG2 4.31Å; V351-T360 HydrophobicContact CG2-CG2 3.88Å; V351-I363 HydrophobicContact CB-CD1 4.08Å; V351-I363 HydrophobicContact CB-CG1 4.25Å; V351-I363 HydrophobicContact CG1-CD1 3.84Å; V351-I363 HydrophobicContact CG1-CG1 4.02Å |
| 352 | H | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | -177.5 | 170 | 69.8 | 99.9 | 0 | 0 | 0 | 111.3 | C213 V257 D258 A259 E276 T360 | C213-H352 VanDerWaalsContact O-CB 3.31Å; C213-H352 WeakPolarHBondContact O-CB 3.47Å; V257-H352 PolarHBondContact O-N 2.95Å; D258-H352 VanDerWaalsContact CG-CE1 3.44Å; D258-H352 IonicContact OD1-CE1 3.43Å; D258-H352 IonicContact OD2-CE1 2.89Å; A259-H352 VanDerWaalsContact CB-O 3.31Å; A259-H352 WeakPolarHBondContact CB-O 3.39Å; A259-H352 PolarHBondContact N-O 2.92Å; E276-H352 IonicContact OE2-CE1 2.67Å; E276-H352 IonicContact OE2-NE2 2.76Å; E276-H352 PolarHBondContact OE2-NE2 2.89Å; H352-T360 WeakPolarHBondContact CA-OG1 3.41Å |
| 353 | C | 96.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | trans | -147.4 | -130.5 | 168 | 60.3 | 0 | 0 | 0 | 0 | 107.6 | Q215 A259 R260 G356 R359 T360 | Q215-C353 WeakPolarHBondContact CB-O 3.42Å; A259-C353 HydrophobicContact CB-CB 3.88Å; R260-C353 HydrophobicContact CG-CB 4.28Å; C353-G356 PolarHBondContact SG-N 3.49Å; C353-R359 HydrophobicContact CB-CB 4.17Å; C353-T360 PolarHBondContact N-OG1 2.94Å; C353-T360 PolarHBondContact SG-OG1 3.39Å | ||
| 354 | T | 97.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 16.1 Ų | 16.1 | 11% | 0.11 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -70.4 | -72.7 | 163.3 | -49.2 | 0 | 0 | 0 | 0 | 109.2 | Q215 R260 | Q215-T354 WeakPolarHBondContact CB-O 3.25Å; Q215-T354 VanDerWaalsContact CG-O 3.31Å; Q215-T354 WeakPolarHBondContact CG-O 3.15Å; Q215-T354 PolarHBondContact N-O 3.17Å; Q215-T354 VanDerWaalsContact NE2-CG2 3.34Å; R260-T354 WeakPolarHBondContact CD-OG1 3.44Å |
| 355 | D | 97.1 | Very high | 97.4 | Very high | 34 Ų | 34 | 11.3 Ų | 11.3 | 18% | 0.182 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -106 | -3.6 | -166.8 | -40.6 | -76.7 | 0 | 0 | 0 | 114.2 | H193 R195 W357 | H193-D355 IonicContact CE1-OD1 2.61Å; H193-D355 PolarHBondContact CE1-OD1 2.97Å; H193-D355 IonicContact ND1-OD1 3.21Å; H193-D355 PolarHBondContact ND1-OD1 2.91Å; R195-D355 WeakPolarHBondContact CD-O 3.33Å; R195-D355 PolarHBondContact NE-O 3.03Å; D355-W357 VanDerWaalsContact C-N 3.3Å; D355-W357 HydrophobicContact CB-CD2 3.68Å; D355-W357 HydrophobicContact CB-CE3 4.13Å; D355-W357 HydrophobicContact CB-CG 4.22Å; D355-W357 HydrophobicContact CB-CH2 3.92Å; D355-W357 HydrophobicContact CB-CZ2 3.46Å; D355-W357 VanDerWaalsContact CB-CZ2 3.46Å; D355-W357 HydrophobicContact CB-CZ3 4.23Å; D355-W357 PolarHBondContact O-N 2.86Å |
| 356 | G | 97.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.035 | C | C | . | . | S | Bend | trans | 74 | 11 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116 | R195 R212 C213 C353 | R195-G356 PolarHBondContact NH2-O 3.22Å; R212-G356 PolarHBondContact NH2-O 3.14Å; R212-G356 VanDerWaalsContact NH2-O 3.15Å; C213-G356 WeakPolarHBondContact O-CA 3.22Å; C353-G356 PolarHBondContact SG-N 3.49Å |
| 357 | W | 97.3 | Very high | 98 | Very high | 16 Ų | 16 | 7.1 Ų | 7.1 | 6% | 0.061 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -118.4 | -7 | -179 | 57.7 | 50.3 | 0 | 0 | 0 | 116.2 | T168 H193 D355 P361 G393 H394 K395 | T168-W357 HydrophobicContact CG2-CZ3 4.36Å; H193-W357 HydrophobicContact CB-CZ3 4.25Å; H193-W357 AromaticContact CD2-CH2 3.79Å; H193-W357 AromaticContact CE1-CH2 3.68Å; H193-W357 AromaticContact CG-CH2 3.84Å; H193-W357 AromaticContact CG-CZ3 3.96Å; H193-W357 AromaticContact ND1-CH2 3.78Å; H193-W357 AromaticContact NE2-CH2 3.69Å; D355-W357 VanDerWaalsContact C-N 3.3Å; D355-W357 HydrophobicContact CB-CD2 3.68Å; D355-W357 HydrophobicContact CB-CE3 4.13Å; D355-W357 HydrophobicContact CB-CG 4.22Å; D355-W357 HydrophobicContact CB-CH2 3.92Å; D355-W357 HydrophobicContact CB-CZ2 3.46Å; D355-W357 VanDerWaalsContact CB-CZ2 3.46Å; D355-W357 HydrophobicContact CB-CZ3 4.23Å; D355-W357 PolarHBondContact O-N 2.86Å; W357-P361 WeakPolarHBondContact O-CG 3.33Å; W357-G393 VanDerWaalsContact CB-O 3.3Å; W357-G393 WeakPolarHBondContact CB-O 3.46Å; W357-H394 PolarHBondContact O-ND1 3.46Å; W357-K395 HydrophobicContact CD2-CD 4.23Å; W357-K395 HydrophobicContact CD2-CG 4.38Å; W357-K395 HydrophobicContact CG-CG 4.49Å; W357-K395 HydrophobicContact CZ2-CD 4.01Å |
| 358 | D | 98.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 5.1 Ų | 5.1 | 6% | 0.059 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -111.3 | -84.1 | 178.2 | -72.2 | -48.3 | 0 | 0 | 0 | 112.6 | T360 P361 Q362 H394 R399 I415 | D358-T360 VanDerWaalsContact C-N 3.25Å; D358-T360 PolarHBondContact O-N 3.25Å; D358-P361 WeakPolarHBondContact O-CD 3.41Å; D358-P361 VanDerWaalsContact O-CG 3.26Å; D358-P361 WeakPolarHBondContact O-CG 3.45Å; D358-Q362 WeakPolarHBondContact O-CG 3.23Å; D358-Q362 PolarHBondContact O-N 3.43Å; D358-H394 IonicContact OD1-CE1 3.63Å; D358-H394 PolarHBondContact OD1-CE1 3.12Å; D358-H394 VanDerWaalsContact OD1-CE1 3.22Å; D358-H394 IonicContact OD1-ND1 2.92Å; D358-R399 IonicContact OD1-CZ 3.69Å; D358-R399 IonicContact OD1-NE 3.66Å; D358-R399 PolarHBondContact OD1-NE 3.35Å; D358-R399 IonicContact OD1-NH2 3.6Å; D358-R399 IonicContact OD2-CZ 2.96Å; D358-R399 IonicContact OD2-NE 3.21Å; D358-R399 PolarHBondContact OD2-NE 3.42Å; D358-R399 IonicContact OD2-NH2 2.74Å; D358-R399 PolarHBondContact OD2-NH2 3.33Å; D358-I415 HydrophobicContact CB-CG2 4.15Å |
| 359 | R | 98.5 | Very high | 98.3 | Very high | 23 Ų | 23 | 5.1 Ų | 5.1 | 9% | 0.087 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.4 | -31 | 178.6 | -74.8 | 164.2 | -77.1 | -160.8 | -0.9 | 113.3 | A259 L291 P292 C353 Q362 I363 | A259-R359 HydrophobicContact CB-CB 3.64Å; A259-R359 HydrophobicContact CB-CG 4.42Å; L291-R359 HydrophobicContact CB-CG 4.23Å; L291-R359 WeakPolarHBondContact O-CD 3.36Å; L291-R359 PolarHBondContact O-NH1 2.58Å; P292-R359 WeakPolarHBondContact O-CD 3.22Å; C353-R359 HydrophobicContact CB-CB 4.17Å; R359-Q362 WeakPolarHBondContact O-CB 3.47Å; R359-Q362 PolarHBondContact O-N 2.99Å; R359-I363 WeakPolarHBondContact O-CG1 3.47Å; R359-I363 PolarHBondContact O-N 2.99Å |
| 360 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.7 | -53.8 | -178.8 | -55 | 0 | 0 | 0 | 0 | 112.4 | R212 V351 H352 C353 D358 Q362 I363 S364 | R212-T360 HydrophobicContact CB-CG2 3.91Å; V351-T360 HydrophobicContact CB-CG2 4.31Å; V351-T360 HydrophobicContact CG2-CG2 3.88Å; H352-T360 WeakPolarHBondContact CA-OG1 3.41Å; C353-T360 PolarHBondContact N-OG1 2.94Å; C353-T360 PolarHBondContact SG-OG1 3.39Å; D358-T360 VanDerWaalsContact C-N 3.25Å; D358-T360 PolarHBondContact O-N 3.25Å; T360-Q362 VanDerWaalsContact C-N 3.3Å; T360-Q362 PolarHBondContact O-N 3.16Å; T360-I363 PolarHBondContact O-N 3.11Å; T360-S364 WeakPolarHBondContact O-CB 3.48Å; T360-S364 PolarHBondContact O-N 3.3Å; T360-S364 PolarHBondContact O-OG 3.12Å; T360-S364 VanDerWaalsContact O-OG 3.09Å |
| 361 | P | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -62.7 | -32.2 | 172.5 | 21.1 | -29.6 | 0 | 0 | 0 | 113.5 | W357 D358 S364 S365 E388 W389 | W357-P361 WeakPolarHBondContact O-CG 3.33Å; D358-P361 WeakPolarHBondContact O-CD 3.41Å; D358-P361 VanDerWaalsContact O-CG 3.26Å; D358-P361 WeakPolarHBondContact O-CG 3.45Å; P361-S364 WeakPolarHBondContact CA-OG 3.34Å; P361-S364 PolarHBondContact O-OG 3.23Å; P361-S365 VanDerWaalsContact O-CB 3.3Å; P361-S365 WeakPolarHBondContact O-CB 3.46Å; P361-S365 PolarHBondContact O-N 3.06Å; P361-S365 PolarHBondContact O-OG 2.97Å; P361-E388 WeakPolarHBondContact CB-O 3.05Å; P361-W389 HydrophobicContact CB-CD2 3.96Å; P361-W389 HydrophobicContact CB-CE3 4.24Å; P361-W389 HydrophobicContact CB-CG 4.41Å; P361-W389 HydrophobicContact CB-CZ2 4.22Å; P361-W389 HydrophobicContact CG-CE3 4.33Å; P361-W389 HydrophobicContact CG-CZ3 4.35Å |
| 362 | Q | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 1% | 0.014 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -55.2 | -55.8 | 172.1 | -69.8 | 178.9 | -41.7 | 0 | 0 | 111.3 | L331 D358 R359 T360 L366 W389 I415 W419 | L331-Q362 HydrophobicContact CD2-CB 3.94Å; D358-Q362 WeakPolarHBondContact O-CG 3.23Å; D358-Q362 PolarHBondContact O-N 3.43Å; R359-Q362 WeakPolarHBondContact O-CB 3.47Å; R359-Q362 PolarHBondContact O-N 2.99Å; T360-Q362 VanDerWaalsContact C-N 3.3Å; T360-Q362 PolarHBondContact O-N 3.16Å; Q362-L366 WeakPolarHBondContact O-CB 3.39Å; Q362-L366 WeakPolarHBondContact O-CG 3.47Å; Q362-L366 PolarHBondContact O-N 2.88Å; Q362-L366 VanDerWaalsContact O-N 3.13Å; Q362-W389 HydrophobicContact CB-CH2 4.46Å; Q362-W389 HydrophobicContact CB-CZ2 4.49Å; Q362-W389 HydrophobicContact CG-CH2 3.56Å; Q362-W389 HydrophobicContact CG-CZ2 4.02Å; Q362-I415 HydrophobicContact CG-CG2 3.98Å; Q362-I415 PolarHBondContact NE2-O 2.96Å; Q362-W419 HydrophobicContact CG-CB 4.38Å |
| 363 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -78.8 | -33.1 | -174.6 | 69 | -175.6 | 0 | 0 | 0 | 113.2 | V257 A259 L291 L331 T334 I338 V351 R359 T360 A367 | V257-I363 HydrophobicContact CG1-CD1 4.13Å; A259-I363 HydrophobicContact CB-CD1 3.97Å; L291-I363 HydrophobicContact CD1-CG2 3.62Å; L331-I363 HydrophobicContact CD2-CG2 3.84Å; T334-I363 HydrophobicContact CG2-CB 4.09Å; T334-I363 HydrophobicContact CG2-CD1 4.06Å; T334-I363 HydrophobicContact CG2-CG2 3.7Å; I338-I363 HydrophobicContact CD1-CB 3.96Å; I338-I363 HydrophobicContact CD1-CD1 4.06Å; I338-I363 HydrophobicContact CD1-CG1 4.04Å; V351-I363 HydrophobicContact CB-CD1 4.08Å; V351-I363 HydrophobicContact CB-CG1 4.25Å; V351-I363 HydrophobicContact CG1-CD1 3.84Å; V351-I363 HydrophobicContact CG1-CG1 4.02Å; R359-I363 WeakPolarHBondContact O-CG1 3.47Å; R359-I363 PolarHBondContact O-N 2.99Å; T360-I363 PolarHBondContact O-N 3.11Å; I363-A367 VanDerWaalsContact O-CB 3.24Å; I363-A367 WeakPolarHBondContact O-CB 3.42Å; I363-A367 PolarHBondContact O-N 2.76Å |
| 364 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67 | -45.1 | 177.4 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | T360 P361 A367 Q368 E388 | T360-S364 WeakPolarHBondContact O-CB 3.48Å; T360-S364 PolarHBondContact O-N 3.3Å; T360-S364 PolarHBondContact O-OG 3.12Å; T360-S364 VanDerWaalsContact O-OG 3.09Å; P361-S364 WeakPolarHBondContact CA-OG 3.34Å; P361-S364 PolarHBondContact O-OG 3.23Å; S364-A367 PolarHBondContact O-N 2.94Å; S364-Q368 VanDerWaalsContact C-NE2 3.3Å; S364-Q368 WeakPolarHBondContact O-CB 3.41Å; S364-Q368 WeakPolarHBondContact O-CG 3.34Å; S364-Q368 PolarHBondContact O-N 3.47Å; S364-Q368 PolarHBondContact O-NE2 2.92Å; S364-E388 WeakPolarHBondContact CB-OE2 3.47Å; S364-E388 PolarHBondContact OG-OE2 3.28Å |
| 365 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -77.6 | -31.2 | -177.9 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | P361 L369 W389 W419 | P361-S365 VanDerWaalsContact O-CB 3.3Å; P361-S365 WeakPolarHBondContact O-CB 3.46Å; P361-S365 PolarHBondContact O-N 3.06Å; P361-S365 PolarHBondContact O-OG 2.97Å; S365-L369 WeakPolarHBondContact O-CB 3.26Å; S365-L369 PolarHBondContact O-N 3.22Å; S365-W389 PolarHBondContact OG-NE1 3.36Å; S365-W419 VanDerWaalsContact OG-CE2 3.26Å; S365-W419 WeakPolarHBondContact OG-CZ2 3.36Å; S365-W419 PolarHBondContact OG-NE1 3.03Å |
| 366 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 167.3 | -72.6 | 172.5 | 0 | 0 | 0 | 111.7 | L331 A335 Q362 Q368 L369 L370 C422 V423 I426 | L331-L366 HydrophobicContact CB-CD1 4.15Å; A335-L366 HydrophobicContact CB-CB 3.34Å; A335-L366 HydrophobicContact CB-CD1 4.25Å; A335-L366 HydrophobicContact CB-CG 4.42Å; Q362-L366 WeakPolarHBondContact O-CB 3.39Å; Q362-L366 WeakPolarHBondContact O-CG 3.47Å; Q362-L366 PolarHBondContact O-N 2.88Å; Q362-L366 VanDerWaalsContact O-N 3.13Å; L366-Q368 VanDerWaalsContact C-N 3.31Å; L366-Q368 PolarHBondContact O-N 3.22Å; L366-L369 PolarHBondContact O-N 3.39Å; L366-L369 VanDerWaalsContact O-N 3.13Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.02Å; L366-C422 HydrophobicContact CD1-CB 3.79Å; L366-C422 HydrophobicContact CD2-CB 3.71Å; L366-C422 HydrophobicContact CG-CB 4.39Å; L366-V423 HydrophobicContact CD2-CG2 4.21Å; L366-I426 HydrophobicContact CD2-CD1 3.85Å |
| 367 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I338 I363 S364 L370 A371 | I338-A367 HydrophobicContact CB-CB 3.8Å; I338-A367 HydrophobicContact CG2-CB 3.49Å; I338-A367 VanDerWaalsContact CG2-CB 3.49Å; I363-A367 VanDerWaalsContact O-CB 3.24Å; I363-A367 WeakPolarHBondContact O-CB 3.42Å; I363-A367 PolarHBondContact O-N 2.76Å; S364-A367 PolarHBondContact O-N 2.94Å; A367-L370 PolarHBondContact O-N 3.02Å; A367-A371 VanDerWaalsContact O-CB 3.28Å; A367-A371 WeakPolarHBondContact O-CB 3.26Å; A367-A371 PolarHBondContact O-N 3.07Å |
| 368 | Q | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 170.9 | -83.9 | 165.7 | 98.9 | 0 | 0 | 112.2 | W201 L210 S364 L366 L370 A371 D372 Y375 L384 E388 | W201-Q368 HydrophobicContact CB-CG 3.75Å; W201-Q368 HydrophobicContact CD2-CG 4.38Å; W201-Q368 HydrophobicContact CG-CG 3.73Å; L210-Q368 HydrophobicContact CD2-CG 4.01Å; S364-Q368 VanDerWaalsContact C-NE2 3.3Å; S364-Q368 WeakPolarHBondContact O-CB 3.41Å; S364-Q368 WeakPolarHBondContact O-CG 3.34Å; S364-Q368 PolarHBondContact O-N 3.47Å; S364-Q368 PolarHBondContact O-NE2 2.92Å; L366-Q368 VanDerWaalsContact C-N 3.31Å; L366-Q368 PolarHBondContact O-N 3.22Å; Q368-L370 VanDerWaalsContact C-N 3.3Å; Q368-L370 PolarHBondContact O-N 3.01Å; Q368-A371 PolarHBondContact O-N 2.93Å; Q368-D372 WeakPolarHBondContact O-CB 3.18Å; Q368-D372 PolarHBondContact O-N 3.4Å; Q368-Y375 HydrophobicContact CB-CD2 3.76Å; Q368-Y375 HydrophobicContact CB-CE2 3.65Å; Q368-Y375 HydrophobicContact CG-CE2 3.92Å; Q368-Y375 PolarHBondContact OE1-OH 2.95Å; Q368-L384 HydrophobicContact CB-CD1 3.96Å; Q368-E388 PolarHBondContact NE2-OE2 2.88Å |
| 369 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.3 | -33.9 | 178 | -166.1 | 69.1 | 0 | 0 | 0 | 112.8 | S365 L366 Y375 R376 F381 L384 V423 F434 | S365-L369 WeakPolarHBondContact O-CB 3.26Å; S365-L369 PolarHBondContact O-N 3.22Å; L366-L369 PolarHBondContact O-N 3.39Å; L366-L369 VanDerWaalsContact O-N 3.13Å; L369-Y375 WeakPolarHBondContact CD1-O 3.41Å; L369-R376 HydrophobicContact CD1-CG 4Å; L369-R376 PolarHBondContact O-NE 3.28Å; L369-R376 PolarHBondContact O-NH2 3.17Å; L369-F381 HydrophobicContact CD1-CD2 3.99Å; L369-F381 HydrophobicContact CD1-CE2 4.28Å; L369-F381 HydrophobicContact CD2-CE2 4.23Å; L369-L384 HydrophobicContact CB-CD2 4.32Å; L369-L384 HydrophobicContact CD1-CD2 4.25Å; L369-V423 HydrophobicContact CD2-CB 4.42Å; L369-V423 HydrophobicContact CD2-CG1 4.08Å; L369-V423 HydrophobicContact CD2-CG2 3.77Å; L369-F434 HydrophobicContact CD1-CE1 3.99Å; L369-F434 HydrophobicContact CD2-CE1 4.02Å; L369-F434 HydrophobicContact CD2-CZ 4.49Å; L369-F434 HydrophobicContact CG-CE1 3.96Å; L369-F434 HydrophobicContact CG-CZ 4.48Å |
| 370 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -74.4 | -34.4 | 175.2 | -67.5 | 176.9 | 0 | 0 | 0 | 112.6 | A335 A339 L366 A367 Q368 R376 I426 L500 L501 P503 | A335-L370 HydrophobicContact CB-CD1 3.88Å; A339-L370 HydrophobicContact CB-CB 3.94Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.02Å; A367-L370 PolarHBondContact O-N 3.02Å; Q368-L370 VanDerWaalsContact C-N 3.3Å; Q368-L370 PolarHBondContact O-N 3.01Å; L370-R376 PolarHBondContact O-NH2 3.15Å; L370-I426 HydrophobicContact CD2-CD1 3.79Å; L370-I426 HydrophobicContact CD2-CG1 4.17Å; L370-I426 HydrophobicContact CD2-CG2 3.93Å; L370-I426 HydrophobicContact CG-CD1 4.33Å; L370-L500 WeakPolarHBondContact O-CA 3.49Å; L370-L501 HydrophobicContact CD2-CB 3.76Å; L370-L501 PolarHBondContact O-N 2.85Å; L370-P503 HydrophobicContact CD1-CG 4.47Å; L370-P503 HydrophobicContact CD2-CG 4.09Å |
| 371 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -95.7 | -19.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | W201 A339 E343 A367 Q368 H499 L500 | W201-A371 HydrophobicContact CH2-CB 3.78Å; W201-A371 HydrophobicContact CZ2-CB 4.11Å; W201-A371 HydrophobicContact CZ3-CB 4.38Å; A339-A371 HydrophobicContact CB-CB 4.21Å; E343-A371 HydrophobicContact CG-CB 3.82Å; A367-A371 VanDerWaalsContact O-CB 3.28Å; A367-A371 WeakPolarHBondContact O-CB 3.26Å; A367-A371 PolarHBondContact O-N 3.07Å; Q368-A371 PolarHBondContact O-N 2.93Å; A371-H499 PolarHBondContact O-CE1 2.94Å; A371-H499 VanDerWaalsContact O-CE1 3.23Å; A371-H499 PolarHBondContact O-NE2 3.48Å; A371-L500 HydrophobicContact CB-CD1 4.45Å |
| 372 | D | 97.1 | Very high | 97.1 | Very high | 11 Ų | 11 | 12 Ų | 12 | 6% | 0.059 | 6% | 0.061 | C | C | . | . | trans | -128.8 | 106.1 | -171.8 | -168.2 | -17.8 | 0 | 0 | 0 | 111.5 | R147 W201 Q368 F374 Y375 | R147-D372 IonicContact CZ-OD2 3.5Å; R147-D372 VanDerWaalsContact CZ-OD2 3.22Å; R147-D372 IonicContact NH1-OD1 3.63Å; R147-D372 PolarHBondContact NH1-OD1 2.9Å; R147-D372 VanDerWaalsContact NH1-OD1 3.15Å; R147-D372 IonicContact NH1-OD2 3.22Å; R147-D372 PolarHBondContact NH1-OD2 2.77Å; R147-D372 IonicContact NH2-OD2 2.77Å; R147-D372 PolarHBondContact NH2-OD2 2.78Å; W201-D372 HydrophobicContact CZ2-CB 3.85Å; W201-D372 PolarHBondContact NE1-OD2 2.77Å; Q368-D372 WeakPolarHBondContact O-CB 3.18Å; Q368-D372 PolarHBondContact O-N 3.4Å; D372-F374 PolarHBondContact O-N 3.27Å; D372-F374 VanDerWaalsContact O-N 3.08Å; D372-F374 WeakPolarHBondContact OD1-CB 3.37Å; D372-F374 PolarHBondContact OD1-N 3.33Å; D372-Y375 HydrophobicContact CB-CD2 3.69Å; D372-Y375 HydrophobicContact CB-CE2 3.95Å; D372-Y375 PolarHBondContact O-N 2.77Å | ||
| 373 | P | 97 | Very high | 96.8 | Very high | 29 Ų | 29 | 12.7 Ų | 12.7 | 19% | 0.188 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -54.7 | -25.3 | 176.5 | -27.9 | 35.6 | 0 | 0 | 0 | 114.4 | Y375 R376 H499 | P373-Y375 VanDerWaalsContact C-N 3.33Å; P373-Y375 PolarHBondContact O-N 2.98Å; P373-R376 WeakPolarHBondContact O-CB 3.5Å; P373-R376 PolarHBondContact O-N 2.89Å; P373-R376 VanDerWaalsContact O-N 3.09Å; P373-H499 WeakPolarHBondContact CD-ND1 3.16Å |
| 374 | F | 96.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 12.7 Ų | 12.7 | 17% | 0.171 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -57.4 | -44.9 | 178.2 | 175.5 | -109.6 | 0 | 0 | 0 | 112 | F143 R147 D372 R376 T377 G380 I383 | F143-F374 AromaticContact CE1-CE1 3.87Å; F143-F374 HydrophobicContact CE1-CE1 3.87Å; F143-F374 HydrophobicContact CE1-CE2 4.35Å; F143-F374 AromaticContact CE1-CZ 3.5Å; F143-F374 HydrophobicContact CE1-CZ 3.5Å; F143-F374 HydrophobicContact CZ-CE1 4.42Å; F143-F374 HydrophobicContact CZ-CE2 4.08Å; F143-F374 AromaticContact CZ-CZ 3.66Å; F143-F374 HydrophobicContact CZ-CZ 3.66Å; R147-F374 VanDerWaalsContact NE-CD1 3.28Å; R147-F374 VanDerWaalsContact NH1-CB 3.3Å; D372-F374 PolarHBondContact O-N 3.27Å; D372-F374 VanDerWaalsContact O-N 3.08Å; D372-F374 WeakPolarHBondContact OD1-CB 3.37Å; D372-F374 PolarHBondContact OD1-N 3.33Å; F374-R376 PolarHBondContact O-N 3.03Å; F374-R376 VanDerWaalsContact O-N 3.09Å; F374-T377 WeakPolarHBondContact O-CB 3.3Å; F374-T377 PolarHBondContact O-N 3.07Å; F374-T377 PolarHBondContact O-OG1 2.79Å; F374-G380 VanDerWaalsContact CE1-CA 3.49Å; F374-G380 WeakPolarHBondContact O-CA 3.43Å; F374-I383 HydrophobicContact CE1-CD1 4.24Å; F374-I383 HydrophobicContact CZ-CD1 3.95Å |
| 375 | Y | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -70.8 | -5.4 | -177.9 | -58.5 | -52.5 | 0 | 0 | 0 | 114 | E144 R147 M148 W201 Q368 L369 D372 P373 G380 F381 L384 | E144-Y375 PolarHBondContact OE2-OH 2.74Å; R147-Y375 PolarHBondContact NH2-OH 3.21Å; R147-Y375 VanDerWaalsContact NH2-OH 3.15Å; M148-Y375 WeakPolarHBondContact CE-OH 3.37Å; W201-Y375 AromaticContact CD1-CE2 3.63Å; W201-Y375 AromaticContact NE1-CE2 3.77Å; Q368-Y375 HydrophobicContact CB-CD2 3.76Å; Q368-Y375 HydrophobicContact CB-CE2 3.65Å; Q368-Y375 HydrophobicContact CG-CE2 3.92Å; Q368-Y375 PolarHBondContact OE1-OH 2.95Å; L369-Y375 WeakPolarHBondContact CD1-O 3.41Å; D372-Y375 HydrophobicContact CB-CD2 3.69Å; D372-Y375 HydrophobicContact CB-CE2 3.95Å; D372-Y375 PolarHBondContact O-N 2.77Å; P373-Y375 VanDerWaalsContact C-N 3.33Å; P373-Y375 PolarHBondContact O-N 2.98Å; Y375-G380 WeakPolarHBondContact CD1-O 3.39Å; Y375-F381 WeakPolarHBondContact O-CA 3.44Å; Y375-F381 WeakPolarHBondContact O-CB 3.46Å; Y375-F381 PolarHBondContact O-N 2.71Å; Y375-L384 HydrophobicContact CD1-CB 3.79Å; Y375-L384 HydrophobicContact CD1-CD1 4.2Å; Y375-L384 HydrophobicContact CD1-CG 4.43Å; Y375-L384 HydrophobicContact CD2-CD1 4.16Å; Y375-L384 HydrophobicContact CE1-CB 4.29Å; Y375-L384 HydrophobicContact CE1-CD1 4.24Å; Y375-L384 HydrophobicContact CE2-CD1 4.22Å; Y375-L384 HydrophobicContact CG-CB 4.16Å; Y375-L384 HydrophobicContact CG-CD1 4.14Å; Y375-L384 HydrophobicContact CG-CD2 4.22Å; Y375-L384 HydrophobicContact CG-CG 4.4Å |
| 376 | R | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -89.9 | -11.2 | 173.7 | -46.2 | -177.8 | -162.7 | 138.1 | 11.6 | 112.6 | L369 L370 P373 F374 C433 F434 E435 E498 H499 | L369-R376 HydrophobicContact CD1-CG 4Å; L369-R376 PolarHBondContact O-NE 3.28Å; L369-R376 PolarHBondContact O-NH2 3.17Å; L370-R376 PolarHBondContact O-NH2 3.15Å; P373-R376 WeakPolarHBondContact O-CB 3.5Å; P373-R376 PolarHBondContact O-N 2.89Å; P373-R376 VanDerWaalsContact O-N 3.09Å; F374-R376 PolarHBondContact O-N 3.03Å; F374-R376 VanDerWaalsContact O-N 3.09Å; R376-C433 WeakPolarHBondContact CB-O 3.42Å; R376-C433 WeakPolarHBondContact CD-O 3.43Å; R376-F434 HydrophobicContact CB-CD1 3.58Å; R376-F434 HydrophobicContact CB-CE1 3.88Å; R376-F434 HydrophobicContact CB-CG 4.24Å; R376-F434 HydrophobicContact CG-CD1 3.93Å; R376-F434 HydrophobicContact CG-CE1 3.68Å; R376-F434 HydrophobicContact CG-CZ 4.29Å; R376-E435 PolarHBondContact O-N 3.35Å; R376-E498 PolarHBondContact NH1-O 3.24Å; R376-H499 PolarHBondContact NH2-O 2.85Å |
| 377 | T | 96.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 14.4 Ų | 14.4 | 15% | 0.153 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -71.3 | 156.7 | 163.6 | 68.5 | 0 | 0 | 0 | 0 | 110.5 | F374 Q379 G380 F381 E435 Y493 | F374-T377 WeakPolarHBondContact O-CB 3.3Å; F374-T377 PolarHBondContact O-N 3.07Å; F374-T377 PolarHBondContact O-OG1 2.79Å; T377-Q379 VanDerWaalsContact C-N 3.32Å; T377-Q379 PolarHBondContact O-N 3.03Å; T377-G380 PolarHBondContact O-N 3.33Å; T377-G380 PolarHBondContact OG1-N 3.03Å; T377-F381 VanDerWaalsContact O-CB 3.29Å; T377-F381 WeakPolarHBondContact O-CB 3.24Å; T377-F381 PolarHBondContact O-N 2.61Å; T377-E435 WeakPolarHBondContact CA-OE2 3.2Å; T377-E435 VanDerWaalsContact CB-OE2 3.31Å; T377-E435 WeakPolarHBondContact CB-OE2 3.39Å; T377-Y493 HydrophobicContact CG2-CE1 4.44Å; T377-Y493 WeakPolarHBondContact CG2-OH 3.46Å |
| 378 | I | 93.7 | Very high | 96 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.015 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 173.9 | -74.5 | 164.1 | 0 | 0 | 0 | 110.1 | N382 E435 F436 F440 L480 I488 V489 | I378-N382 PolarHBondContact O-N 3.15Å; I378-N382 VanDerWaalsContact O-N 3.13Å; I378-N382 PolarHBondContact O-ND2 2.79Å; I378-N382 PolarHBondContact O-OD1 3.37Å; I378-N382 VanDerWaalsContact O-OD1 3.08Å; I378-E435 HydrophobicContact CD1-CG 4.04Å; I378-E435 HydrophobicContact CG1-CB 4.29Å; I378-E435 HydrophobicContact CG1-CG 4.23Å; I378-E435 PolarHBondContact N-OE2 2.83Å; I378-F436 HydrophobicContact CD1-CB 4.42Å; I378-F436 HydrophobicContact CG1-CB 3.84Å; I378-F440 HydrophobicContact CG1-CD2 4.46Å; I378-F440 HydrophobicContact CG1-CE2 4.28Å; I378-F440 HydrophobicContact CG2-CE2 4.08Å; I378-L480 WeakPolarHBondContact CG2-O 3.38Å; I378-I488 HydrophobicContact CD1-CD1 4.02Å; I378-I488 HydrophobicContact CD1-CG1 4.25Å; I378-V489 HydrophobicContact CD1-CG2 4.09Å |
| 379 | Q | 91.5 | Very high | 95.9 | Very high | 118 Ų | 118 | 14.4 Ų | 14.4 | 55% | 0.551 | 7% | 0.072 | S | C | * | . | H | α-helix | trans | -62.5 | -48 | 176.9 | 178.7 | 177.9 | -16 | 0 | 0 | 112 | T377 N382 I383 | T377-Q379 VanDerWaalsContact C-N 3.32Å; T377-Q379 PolarHBondContact O-N 3.03Å; Q379-N382 PolarHBondContact O-N 2.8Å; Q379-I383 HydrophobicContact CG-CD1 4.12Å; Q379-I383 WeakPolarHBondContact O-CG1 3.44Å; Q379-I383 PolarHBondContact O-N 3.31Å; Q379-I383 VanDerWaalsContact O-N 3.14Å |
| 380 | G | 94.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F374 Y375 T377 N382 I383 L384 | F374-G380 VanDerWaalsContact CE1-CA 3.49Å; F374-G380 WeakPolarHBondContact O-CA 3.43Å; Y375-G380 WeakPolarHBondContact CD1-O 3.39Å; T377-G380 PolarHBondContact O-N 3.33Å; T377-G380 PolarHBondContact OG1-N 3.03Å; G380-N382 VanDerWaalsContact C-N 3.34Å; G380-N382 PolarHBondContact O-N 3.26Å; G380-I383 CarbonylContact O-C 3.6Å; G380-I383 PolarHBondContact O-N 2.85Å; G380-I383 VanDerWaalsContact O-N 3.16Å; G380-L384 WeakPolarHBondContact O-CB 3.38Å; G380-L384 PolarHBondContact O-N 2.72Å |
| 381 | F | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 176.6 | -163.7 | -88.3 | 0 | 0 | 0 | 111.9 | L369 Y375 T377 I383 L384 V385 W419 L420 V423 F436 F440 L441 L444 | L369-F381 HydrophobicContact CD1-CD2 3.99Å; L369-F381 HydrophobicContact CD1-CE2 4.28Å; L369-F381 HydrophobicContact CD2-CE2 4.23Å; Y375-F381 WeakPolarHBondContact O-CA 3.44Å; Y375-F381 WeakPolarHBondContact O-CB 3.46Å; Y375-F381 PolarHBondContact O-N 2.71Å; T377-F381 VanDerWaalsContact O-CB 3.29Å; T377-F381 WeakPolarHBondContact O-CB 3.24Å; T377-F381 PolarHBondContact O-N 2.61Å; F381-I383 VanDerWaalsContact C-N 3.33Å; F381-I383 PolarHBondContact O-N 3.32Å; F381-L384 WeakPolarHBondContact O-CB 3.36Å; F381-L384 PolarHBondContact O-N 2.86Å; F381-V385 HydrophobicContact CD1-CG2 4Å; F381-V385 HydrophobicContact CE1-CG2 3.74Å; F381-V385 HydrophobicContact CZ-CG2 4.47Å; F381-V385 WeakPolarHBondContact O-CG2 3.29Å; F381-V385 PolarHBondContact O-N 3.3Å; F381-W419 AromaticContact CE1-CH2 3.83Å; F381-W419 HydrophobicContact CE1-CH2 3.83Å; F381-W419 AromaticContact CE1-CZ3 3.94Å; F381-W419 HydrophobicContact CE1-CZ3 3.94Å; F381-W419 AromaticContact CE2-CH2 3.62Å; F381-W419 HydrophobicContact CE2-CH2 3.62Å; F381-W419 HydrophobicContact CE2-CZ2 4.23Å; F381-W419 HydrophobicContact CE2-CZ3 4.3Å; F381-W419 AromaticContact CZ-CH2 3.2Å; F381-W419 HydrophobicContact CZ-CH2 3.2Å; F381-W419 HydrophobicContact CZ-CZ2 4.18Å; F381-W419 AromaticContact CZ-CZ3 3.46Å; F381-W419 HydrophobicContact CZ-CZ3 3.46Å; F381-W419 VanDerWaalsContact CZ-CZ3 3.46Å; F381-L420 HydrophobicContact CZ-CD2 4.28Å; F381-V423 HydrophobicContact CE2-CG1 3.76Å; F381-V423 HydrophobicContact CE2-CG2 4.05Å; F381-V423 HydrophobicContact CZ-CG1 4.03Å; F381-V423 HydrophobicContact CZ-CG2 4.16Å; F381-F436 HydrophobicContact CB-CD1 4.2Å; F381-F436 HydrophobicContact CB-CE1 3.76Å; F381-F436 HydrophobicContact CD2-CD1 4.42Å; F381-F436 AromaticContact CD2-CE1 3.37Å; F381-F436 HydrophobicContact CD2-CE1 3.37Å; F381-F436 AromaticContact CD2-CZ 3.43Å; F381-F436 HydrophobicContact CD2-CZ 3.43Å; F381-F436 VanDerWaalsContact CD2-CZ 3.43Å; F381-F436 HydrophobicContact CE2-CE1 4.06Å; F381-F436 HydrophobicContact CE2-CE2 4.45Å; F381-F436 AromaticContact CE2-CZ 3.62Å; F381-F436 HydrophobicContact CE2-CZ 3.62Å; F381-F436 HydrophobicContact CG-CD1 4.32Å; F381-F436 AromaticContact CG-CE1 3.65Å; F381-F436 HydrophobicContact CG-CE1 3.65Å; F381-F436 HydrophobicContact CG-CZ 4.07Å; F381-F436 HydrophobicContact CZ-CZ 4.39Å; F381-F440 AromaticContact CD1-CE1 3.54Å; F381-F440 HydrophobicContact CD1-CE1 3.54Å; F381-F440 AromaticContact CD1-CZ 3.9Å; F381-F440 HydrophobicContact CD1-CZ 3.9Å; F381-F440 AromaticContact CE1-CE1 3.84Å; F381-F440 HydrophobicContact CE1-CE1 3.84Å; F381-F440 HydrophobicContact CG-CE1 4.23Å; F381-L441 HydrophobicContact CZ-CD2 4.26Å; F381-L444 HydrophobicContact CD1-CD2 4.43Å; F381-L444 HydrophobicContact CE1-CD2 3.64Å |
| 382 | N | 93.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 14.8 Ų | 14.8 | 11% | 0.112 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 173.7 | -62.6 | -3.5 | 0 | 0 | 0 | 111 | I378 Q379 G380 V385 E386 F440 W477 | I378-N382 PolarHBondContact O-N 3.15Å; I378-N382 VanDerWaalsContact O-N 3.13Å; I378-N382 PolarHBondContact O-ND2 2.79Å; I378-N382 PolarHBondContact O-OD1 3.37Å; I378-N382 VanDerWaalsContact O-OD1 3.08Å; Q379-N382 PolarHBondContact O-N 2.8Å; G380-N382 VanDerWaalsContact C-N 3.34Å; G380-N382 PolarHBondContact O-N 3.26Å; N382-V385 PolarHBondContact O-N 2.89Å; N382-E386 WeakPolarHBondContact O-CB 3.28Å; N382-E386 WeakPolarHBondContact O-CG 3.23Å; N382-E386 PolarHBondContact O-N 3.19Å; N382-F440 WeakPolarHBondContact OD1-CZ 3.27Å; N382-W477 HydrophobicContact CB-CD2 3.93Å; N382-W477 HydrophobicContact CB-CE3 3.87Å; N382-W477 HydrophobicContact CB-CG 4.45Å; N382-W477 HydrophobicContact CB-CH2 4.41Å; N382-W477 HydrophobicContact CB-CZ2 4.47Å; N382-W477 HydrophobicContact CB-CZ3 4.12Å; N382-W477 WeakPolarHBondContact OD1-CZ3 3.28Å |
| 383 | I | 93.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 14.3 Ų | 14.3 | 9% | 0.087 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 176 | -69.6 | 168.9 | 0 | 0 | 0 | 111.8 | L140 F143 E144 F374 Q379 G380 F381 R387 | L140-I383 HydrophobicContact CD2-CD1 4.4Å; L140-I383 HydrophobicContact CD2-CG1 4.02Å; F143-I383 HydrophobicContact CD1-CD1 4.26Å; F143-I383 HydrophobicContact CE1-CD1 3.94Å; E144-I383 HydrophobicContact CG-CG2 4.24Å; F374-I383 HydrophobicContact CE1-CD1 4.24Å; F374-I383 HydrophobicContact CZ-CD1 3.95Å; Q379-I383 HydrophobicContact CG-CD1 4.12Å; Q379-I383 WeakPolarHBondContact O-CG1 3.44Å; Q379-I383 PolarHBondContact O-N 3.31Å; Q379-I383 VanDerWaalsContact O-N 3.14Å; G380-I383 CarbonylContact O-C 3.6Å; G380-I383 PolarHBondContact O-N 2.85Å; G380-I383 VanDerWaalsContact O-N 3.16Å; F381-I383 VanDerWaalsContact C-N 3.33Å; F381-I383 PolarHBondContact O-N 3.32Å; I383-R387 WeakPolarHBondContact O-CB 3.19Å; I383-R387 PolarHBondContact O-N 3.09Å |
| 384 | L | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.4 | -175.6 | 66.3 | 0 | 0 | 0 | 111.3 | Q368 L369 Y375 G380 F381 E388 W419 | Q368-L384 HydrophobicContact CB-CD1 3.96Å; L369-L384 HydrophobicContact CB-CD2 4.32Å; L369-L384 HydrophobicContact CD1-CD2 4.25Å; Y375-L384 HydrophobicContact CD1-CB 3.79Å; Y375-L384 HydrophobicContact CD1-CD1 4.2Å; Y375-L384 HydrophobicContact CD1-CG 4.43Å; Y375-L384 HydrophobicContact CD2-CD1 4.16Å; Y375-L384 HydrophobicContact CE1-CB 4.29Å; Y375-L384 HydrophobicContact CE1-CD1 4.24Å; Y375-L384 HydrophobicContact CE2-CD1 4.22Å; Y375-L384 HydrophobicContact CG-CB 4.16Å; Y375-L384 HydrophobicContact CG-CD1 4.14Å; Y375-L384 HydrophobicContact CG-CD2 4.22Å; Y375-L384 HydrophobicContact CG-CG 4.4Å; G380-L384 WeakPolarHBondContact O-CB 3.38Å; G380-L384 PolarHBondContact O-N 2.72Å; F381-L384 WeakPolarHBondContact O-CB 3.36Å; F381-L384 PolarHBondContact O-N 2.86Å; L384-E388 HydrophobicContact CD1-CG 3.97Å; L384-E388 WeakPolarHBondContact O-CB 3.18Å; L384-E388 PolarHBondContact O-N 2.9Å; L384-W419 HydrophobicContact CD2-CH2 4.5Å; L384-W419 HydrophobicContact CD2-CZ2 4.08Å |
| 385 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.8 | -47.9 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | F381 N382 R387 W389 L390 F416 W419 F456 W477 | F381-V385 HydrophobicContact CD1-CG2 4Å; F381-V385 HydrophobicContact CE1-CG2 3.74Å; F381-V385 HydrophobicContact CZ-CG2 4.47Å; F381-V385 WeakPolarHBondContact O-CG2 3.29Å; F381-V385 PolarHBondContact O-N 3.3Å; N382-V385 PolarHBondContact O-N 2.89Å; V385-R387 PolarHBondContact O-N 3.13Å; V385-W389 VanDerWaalsContact O-CB 3.29Å; V385-W389 WeakPolarHBondContact O-CB 3.26Å; V385-W389 PolarHBondContact O-N 3.07Å; V385-W389 VanDerWaalsContact O-N 3.12Å; V385-L390 HydrophobicContact CG1-CD1 4.44Å; V385-L390 PolarHBondContact O-N 3.46Å; V385-L390 VanDerWaalsContact O-N 3.13Å; V385-F416 HydrophobicContact CG1-CE2 4.14Å; V385-F416 HydrophobicContact CG1-CZ 3.74Å; V385-F416 HydrophobicContact CG2-CE2 4.23Å; V385-F416 HydrophobicContact CG2-CZ 4.02Å; V385-W419 HydrophobicContact CG2-CH2 3.73Å; V385-W419 HydrophobicContact CG2-CZ3 3.81Å; V385-F456 HydrophobicContact CG1-CE1 3.86Å; V385-F456 HydrophobicContact CG1-CZ 4.06Å; V385-W477 HydrophobicContact CB-CH2 3.86Å; V385-W477 HydrophobicContact CB-CZ2 4.02Å; V385-W477 HydrophobicContact CG1-CH2 3.85Å; V385-W477 HydrophobicContact CG1-CZ2 3.88Å; V385-W477 HydrophobicContact CG2-CH2 4.32Å |
| 386 | E | 93.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 13.2 Ų | 13.2 | 12% | 0.117 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -55.6 | -52.1 | 176.2 | -79.5 | -66.1 | 172.2 | 0 | 0 | 111.1 | N382 L390 Q391 W477 | N382-E386 WeakPolarHBondContact O-CB 3.28Å; N382-E386 WeakPolarHBondContact O-CG 3.23Å; N382-E386 PolarHBondContact O-N 3.19Å; E386-L390 CarbonylContact O-C 3.46Å; E386-L390 WeakPolarHBondContact O-CA 3.28Å; E386-L390 WeakPolarHBondContact O-CB 3.39Å; E386-L390 PolarHBondContact O-N 3.31Å; E386-L390 VanDerWaalsContact O-N 3.15Å; E386-L390 WeakPolarHBondContact OE2-CD1 3.41Å; E386-Q391 WeakPolarHBondContact O-CB 3.39Å; E386-Q391 WeakPolarHBondContact O-CG 3.49Å; E386-Q391 PolarHBondContact O-N 3.26Å; E386-W477 HydrophobicContact CG-CZ2 4.33Å; E386-W477 PolarHBondContact OE1-NE1 3.13Å |
| 387 | R | 93.1 | Very high | 95 | Very high | 10 Ų | 10 | 13.5 Ų | 13.5 | 4% | 0.038 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -72.1 | -59.6 | -174.5 | -166.4 | 164.5 | 173.4 | -121.7 | -12 | 112.4 | E144 V200 I383 V385 W389 F392 | E144-R387 IonicContact OE2-CZ 3.14Å; E144-R387 IonicContact OE2-NH1 2.8Å; E144-R387 PolarHBondContact OE2-NH1 3.13Å; V200-R387 VanDerWaalsContact O-CZ 3.23Å; V200-R387 PolarHBondContact O-NH1 3.01Å; V200-R387 PolarHBondContact O-NH2 2.88Å; I383-R387 WeakPolarHBondContact O-CB 3.19Å; I383-R387 PolarHBondContact O-N 3.09Å; V385-R387 PolarHBondContact O-N 3.13Å; R387-W389 PolarHBondContact O-N 2.53Å; R387-F392 VanDerWaalsContact O-CD2 3.26Å; R387-F392 WeakPolarHBondContact O-CD2 3.45Å; R387-F392 PolarHBondContact O-N 2.84Å |
| 388 | E | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -76 | -24.9 | -170.3 | -71.5 | -71.2 | 79.4 | 0 | 0 | 114.2 | V200 R212 P361 S364 Q368 L384 F392 | V200-E388 WeakPolarHBondContact CG1-OE1 3.33Å; R212-E388 IonicContact CZ-OE1 3.96Å; R212-E388 PolarHBondContact NH1-O 2.98Å; R212-E388 IonicContact NH1-OE1 2.69Å; R212-E388 PolarHBondContact NH1-OE1 3.26Å; R212-E388 IonicContact NH1-OE2 3.45Å; R212-E388 PolarHBondContact NH1-OE2 3.37Å; R212-E388 PolarHBondContact NH2-O 3.15Å; P361-E388 WeakPolarHBondContact CB-O 3.05Å; S364-E388 WeakPolarHBondContact CB-OE2 3.47Å; S364-E388 PolarHBondContact OG-OE2 3.28Å; Q368-E388 PolarHBondContact NE2-OE2 2.88Å; L384-E388 HydrophobicContact CD1-CG 3.97Å; L384-E388 WeakPolarHBondContact O-CB 3.18Å; L384-E388 PolarHBondContact O-N 2.9Å; E388-F392 VanDerWaalsContact OE1-CD2 3.28Å; E388-F392 WeakPolarHBondContact OE1-CD2 3.5Å |
| 389 | W | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -107.5 | -51.3 | -178.4 | -65.7 | 81.2 | 0 | 0 | 0 | 112.6 | P361 Q362 S365 V385 R387 G393 H394 F396 I415 F416 W419 | P361-W389 HydrophobicContact CB-CD2 3.96Å; P361-W389 HydrophobicContact CB-CE3 4.24Å; P361-W389 HydrophobicContact CB-CG 4.41Å; P361-W389 HydrophobicContact CB-CZ2 4.22Å; P361-W389 HydrophobicContact CG-CE3 4.33Å; P361-W389 HydrophobicContact CG-CZ3 4.35Å; Q362-W389 HydrophobicContact CB-CH2 4.46Å; Q362-W389 HydrophobicContact CB-CZ2 4.49Å; Q362-W389 HydrophobicContact CG-CH2 3.56Å; Q362-W389 HydrophobicContact CG-CZ2 4.02Å; S365-W389 PolarHBondContact OG-NE1 3.36Å; V385-W389 VanDerWaalsContact O-CB 3.29Å; V385-W389 WeakPolarHBondContact O-CB 3.26Å; V385-W389 PolarHBondContact O-N 3.07Å; V385-W389 VanDerWaalsContact O-N 3.12Å; R387-W389 PolarHBondContact O-N 2.53Å; W389-G393 PolarHBondContact O-N 2.85Å; W389-H394 HydrophobicContact CB-CB 4.44Å; W389-H394 HydrophobicContact CE3-CB 3.8Å; W389-H394 AromaticContact CE3-CD2 3.69Å; W389-H394 AromaticContact CE3-CG 3.53Å; W389-H394 AromaticContact CE3-ND1 3.99Å; W389-H394 AromaticContact CZ3-CD2 3.9Å; W389-H394 AromaticContact CZ3-CE1 3.92Å; W389-H394 AromaticContact CZ3-CG 3.83Å; W389-H394 AromaticContact CZ3-ND1 3.84Å; W389-H394 AromaticContact CZ3-NE2 3.95Å; W389-H394 VanDerWaalsContact O-CB 3.26Å; W389-H394 WeakPolarHBondContact O-CB 3.47Å; W389-H394 PolarHBondContact O-N 2.68Å; W389-F396 HydrophobicContact CB-CE2 3.91Å; W389-F396 HydrophobicContact CB-CZ 3.93Å; W389-F396 HydrophobicContact CE3-CZ 4.23Å; W389-I415 HydrophobicContact CH2-CG2 4.16Å; W389-I415 HydrophobicContact CZ3-CG2 4.05Å; W389-F416 AromaticContact CD2-CD2 3.47Å; W389-F416 HydrophobicContact CD2-CD2 3.47Å; W389-F416 VanDerWaalsContact CD2-CD2 3.47Å; W389-F416 AromaticContact CD2-CE2 3.83Å; W389-F416 HydrophobicContact CD2-CE2 3.83Å; W389-F416 AromaticContact CE2-CD2 3.67Å; W389-F416 AromaticContact CE2-CE2 3.96Å; W389-F416 HydrophobicContact CE3-CB 4.15Å; W389-F416 AromaticContact CE3-CD2 3.49Å; W389-F416 HydrophobicContact CE3-CD2 3.49Å; W389-F416 VanDerWaalsContact CE3-CD2 3.49Å; W389-F416 HydrophobicContact CE3-CE2 4.28Å; W389-F416 HydrophobicContact CE3-CG 4.2Å; W389-F416 HydrophobicContact CG-CD2 4.06Å; W389-F416 AromaticContact CG-CE2 3.94Å; W389-F416 HydrophobicContact CG-CE2 3.94Å; W389-F416 HydrophobicContact CH2-CB 4.29Å; W389-F416 AromaticContact CH2-CD2 3.89Å; W389-F416 HydrophobicContact CH2-CD2 3.89Å; W389-F416 AromaticContact CZ2-CD2 3.89Å; W389-F416 HydrophobicContact CZ2-CD2 3.89Å; W389-F416 HydrophobicContact CZ3-CB 3.8Å; W389-F416 AromaticContact CZ3-CD2 3.71Å; W389-F416 HydrophobicContact CZ3-CD2 3.71Å; W389-F416 HydrophobicContact CZ3-CG 4.23Å; W389-W419 HydrophobicContact CH2-CB 3.84Å; W389-W419 HydrophobicContact CH2-CG 4.17Å; W389-W419 HydrophobicContact CZ2-CB 3.61Å; W389-W419 AromaticContact CZ2-CD1 3.74Å; W389-W419 AromaticContact CZ2-CD2 3.78Å; W389-W419 HydrophobicContact CZ2-CD2 3.78Å; W389-W419 HydrophobicContact CZ2-CE3 4.36Å; W389-W419 AromaticContact CZ2-CG 3.42Å; W389-W419 HydrophobicContact CZ2-CG 3.42Å; W389-W419 VanDerWaalsContact CZ2-CG 3.42Å; W389-W419 AromaticContact NE1-CE2 3.89Å |
| 390 | L | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -82.7 | -51 | -171.7 | -71.3 | 165.6 | 0 | 0 | 0 | 113.2 | V385 E386 G393 F396 T455 F456 R464 | V385-L390 HydrophobicContact CG1-CD1 4.44Å; V385-L390 PolarHBondContact O-N 3.46Å; V385-L390 VanDerWaalsContact O-N 3.13Å; E386-L390 CarbonylContact O-C 3.46Å; E386-L390 WeakPolarHBondContact O-CA 3.28Å; E386-L390 WeakPolarHBondContact O-CB 3.39Å; E386-L390 PolarHBondContact O-N 3.31Å; E386-L390 VanDerWaalsContact O-N 3.15Å; E386-L390 WeakPolarHBondContact OE2-CD1 3.41Å; L390-G393 PolarHBondContact O-N 2.94Å; L390-F396 HydrophobicContact CD2-CD2 3.54Å; L390-F396 HydrophobicContact CD2-CE2 3.47Å; L390-F396 VanDerWaalsContact CD2-CE2 3.47Å; L390-F396 HydrophobicContact CD2-CG 4.46Å; L390-F396 HydrophobicContact CD2-CZ 4.36Å; L390-F396 HydrophobicContact CG-CD2 4.47Å; L390-F396 HydrophobicContact CG-CE2 3.92Å; L390-T455 HydrophobicContact CD1-CG2 3.74Å; L390-T455 WeakPolarHBondContact CD1-O 3.49Å; L390-T455 WeakPolarHBondContact CD2-O 3.37Å; L390-F456 HydrophobicContact CD1-CD1 4.35Å; L390-F456 HydrophobicContact CD1-CE1 4.13Å; L390-F456 HydrophobicContact CD2-CD1 4Å; L390-F456 HydrophobicContact CD2-CE1 4.46Å; L390-F456 HydrophobicContact CG-CD1 4.47Å; L390-F456 HydrophobicContact CG-CE1 4.45Å; L390-R464 PolarHBondContact O-NH1 2.88Å; L390-R464 PolarHBondContact O-NH2 3Å |
| 391 | Q | 93.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 9.4 Ų | 9.4 | 2% | 0.023 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -67.5 | -46.1 | 178.7 | -68.9 | -168.2 | -53.1 | 0 | 0 | 111 | D137 P170 E386 G393 E461 | D137-Q391 PolarHBondContact OD1-NE2 3.48Å; P170-Q391 HydrophobicContact CB-CB 4.24Å; E386-Q391 WeakPolarHBondContact O-CB 3.39Å; E386-Q391 WeakPolarHBondContact O-CG 3.49Å; E386-Q391 PolarHBondContact O-N 3.26Å; Q391-G393 PolarHBondContact O-N 2.96Å; Q391-G393 VanDerWaalsContact O-N 3.08Å; Q391-E461 WeakPolarHBondContact CA-OE1 3.29Å; Q391-E461 WeakPolarHBondContact CB-OE1 3.39Å; Q391-E461 WeakPolarHBondContact CG-OE1 3.46Å; Q391-E461 PolarHBondContact NE2-OE1 3.21Å |
| 392 | F | 97.1 | Very high | 93 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.018 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 7.8 | 174.9 | -87.7 | -63.5 | 0 | 0 | 0 | 115.9 | T168 Y169 P170 H173 R195 T198 V200 R212 R387 E388 | T168-F392 CarbonylContact O-C 3.53Å; Y169-F392 AromaticContact CD1-CD1 3.65Å; Y169-F392 HydrophobicContact CD1-CD1 3.65Å; Y169-F392 AromaticContact CD1-CE1 3.99Å; Y169-F392 HydrophobicContact CD1-CE1 3.99Å; Y169-F392 AromaticContact CE1-CD1 3.61Å; Y169-F392 HydrophobicContact CE1-CD1 3.61Å; Y169-F392 AromaticContact CE1-CE1 3.86Å; Y169-F392 HydrophobicContact CE1-CE1 3.86Å; Y169-F392 HydrophobicContact CE2-CE1 4.42Å; Y169-F392 HydrophobicContact CG-CD1 4.33Å; Y169-F392 HydrophobicContact CG-CE1 4.3Å; P170-F392 HydrophobicContact CG-CD1 4.24Å; P170-F392 HydrophobicContact CG-CE1 3.87Å; P170-F392 HydrophobicContact CG-CE2 4.37Å; P170-F392 HydrophobicContact CG-CZ 3.93Å; H173-F392 AromaticContact CE1-CE1 3.92Å; R195-F392 PolarHBondContact NH1-O 3.37Å; R195-F392 PolarHBondContact NH2-O 2.89Å; T198-F392 HydrophobicContact CG2-CE1 3.57Å; T198-F392 HydrophobicContact CG2-CZ 3.55Å; V200-F392 HydrophobicContact CG1-CD2 4.34Å; V200-F392 HydrophobicContact CG1-CE2 3.51Å; V200-F392 HydrophobicContact CG1-CZ 3.8Å; R212-F392 HydrophobicContact CG-CE1 4.41Å; R387-F392 VanDerWaalsContact O-CD2 3.26Å; R387-F392 WeakPolarHBondContact O-CD2 3.45Å; R387-F392 PolarHBondContact O-N 2.84Å; E388-F392 VanDerWaalsContact OE1-CD2 3.28Å; E388-F392 WeakPolarHBondContact OE1-CD2 3.5Å |
| 393 | G | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 48.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T168 W357 W389 L390 Q391 N459 | T168-G393 WeakPolarHBondContact O-CA 3.13Å; W357-G393 VanDerWaalsContact CB-O 3.3Å; W357-G393 WeakPolarHBondContact CB-O 3.46Å; W389-G393 PolarHBondContact O-N 2.85Å; L390-G393 PolarHBondContact O-N 2.94Å; Q391-G393 PolarHBondContact O-N 2.96Å; Q391-G393 VanDerWaalsContact O-N 3.08Å; G393-N459 CarbonylContact C-O 3.59Å; G393-N459 WeakPolarHBondContact CA-O 3.21Å |
| 394 | H | 97.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | trans | -64.6 | 133 | 156.5 | -176.7 | 64.7 | 0 | 0 | 0 | 109.1 | W357 D358 W389 F396 | W357-H394 PolarHBondContact O-ND1 3.46Å; D358-H394 IonicContact OD1-CE1 3.63Å; D358-H394 PolarHBondContact OD1-CE1 3.12Å; D358-H394 VanDerWaalsContact OD1-CE1 3.22Å; D358-H394 IonicContact OD1-ND1 2.92Å; W389-H394 HydrophobicContact CB-CB 4.44Å; W389-H394 HydrophobicContact CE3-CB 3.8Å; W389-H394 AromaticContact CE3-CD2 3.69Å; W389-H394 AromaticContact CE3-CG 3.53Å; W389-H394 AromaticContact CE3-ND1 3.99Å; W389-H394 AromaticContact CZ3-CD2 3.9Å; W389-H394 AromaticContact CZ3-CE1 3.92Å; W389-H394 AromaticContact CZ3-CG 3.83Å; W389-H394 AromaticContact CZ3-ND1 3.84Å; W389-H394 AromaticContact CZ3-NE2 3.95Å; W389-H394 VanDerWaalsContact O-CB 3.26Å; W389-H394 WeakPolarHBondContact O-CB 3.47Å; W389-H394 PolarHBondContact O-N 2.68Å; H394-F396 HydrophobicContact CB-CD2 4.13Å; H394-F396 HydrophobicContact CB-CE2 3.86Å; H394-F396 AromaticContact CD2-CD1 3.91Å; H394-F396 AromaticContact CD2-CD2 3.77Å; H394-F396 AromaticContact CD2-CE1 3.83Å; H394-F396 AromaticContact CD2-CE2 3.7Å; H394-F396 AromaticContact CD2-CG 3.88Å; H394-F396 AromaticContact CD2-CZ 3.73Å; H394-F396 WeakPolarHBondContact O-CD2 3.46Å; H394-F396 PolarHBondContact O-N 3.41Å | ||
| 395 | K | 95.7 | Very high | 87.6 | Confident | 44 Ų | 44 | 15.2 Ų | 15.2 | 19% | 0.191 | 9% | 0.089 | C | C | . | . | trans | -78.4 | 60.6 | -171.2 | -63.5 | 179.3 | 134.5 | -126.8 | 0 | 112.8 | W357 S397 D398 R399 N459 | W357-K395 HydrophobicContact CD2-CD 4.23Å; W357-K395 HydrophobicContact CD2-CG 4.38Å; W357-K395 HydrophobicContact CG-CG 4.49Å; W357-K395 HydrophobicContact CZ2-CD 4.01Å; K395-S397 VanDerWaalsContact C-N 3.33Å; K395-S397 PolarHBondContact O-N 3.44Å; K395-D398 HydrophobicContact CB-CB 4.05Å; K395-D398 WeakPolarHBondContact CD-OD2 3.44Å; K395-D398 WeakPolarHBondContact CE-OD2 3.31Å; K395-D398 IonicContact NZ-OD2 2.82Å; K395-D398 PolarHBondContact NZ-OD2 3.4Å; K395-D398 PolarHBondContact O-N 2.85Å; K395-D398 VanDerWaalsContact O-N 3.16Å; K395-R399 HydrophobicContact CB-CG 4.12Å; K395-R399 VanDerWaalsContact O-CB 3.24Å; K395-R399 WeakPolarHBondContact O-CB 3.18Å; K395-R399 WeakPolarHBondContact O-CG 3.29Å; K395-R399 PolarHBondContact O-N 2.81Å; K395-N459 WeakPolarHBondContact CA-OD1 3.18Å; K395-N459 HydrophobicContact CB-CB 4.17Å; K395-N459 WeakPolarHBondContact CB-OD1 3.27Å; K395-N459 HydrophobicContact CG-CB 4.2Å; K395-N459 PolarHBondContact O-OD1 3.5Å | ||
| 396 | F | 94.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.1 | -44.4 | -173.7 | -79.1 | -81.6 | 0 | 0 | 0 | 113.4 | W389 L390 H394 D398 R399 S400 H402 F416 I448 F456 | W389-F396 HydrophobicContact CB-CE2 3.91Å; W389-F396 HydrophobicContact CB-CZ 3.93Å; W389-F396 HydrophobicContact CE3-CZ 4.23Å; L390-F396 HydrophobicContact CD2-CD2 3.54Å; L390-F396 HydrophobicContact CD2-CE2 3.47Å; L390-F396 VanDerWaalsContact CD2-CE2 3.47Å; L390-F396 HydrophobicContact CD2-CG 4.46Å; L390-F396 HydrophobicContact CD2-CZ 4.36Å; L390-F396 HydrophobicContact CG-CD2 4.47Å; L390-F396 HydrophobicContact CG-CE2 3.92Å; H394-F396 HydrophobicContact CB-CD2 4.13Å; H394-F396 HydrophobicContact CB-CE2 3.86Å; H394-F396 AromaticContact CD2-CD1 3.91Å; H394-F396 AromaticContact CD2-CD2 3.77Å; H394-F396 AromaticContact CD2-CE1 3.83Å; H394-F396 AromaticContact CD2-CE2 3.7Å; H394-F396 AromaticContact CD2-CG 3.88Å; H394-F396 AromaticContact CD2-CZ 3.73Å; H394-F396 WeakPolarHBondContact O-CD2 3.46Å; H394-F396 PolarHBondContact O-N 3.41Å; F396-D398 PolarHBondContact O-N 2.77Å; F396-R399 PolarHBondContact O-N 3.16Å; F396-S400 WeakPolarHBondContact O-CB 3.16Å; F396-S400 PolarHBondContact O-N 3.45Å; F396-H402 PolarHBondContact O-CD2 2.78Å; F396-F416 HydrophobicContact CE1-CB 3.87Å; F396-F416 AromaticContact CE1-CD1 3.6Å; F396-F416 HydrophobicContact CE1-CD1 3.6Å; F396-F416 HydrophobicContact CE1-CD2 4.32Å; F396-F416 HydrophobicContact CE1-CE1 4.18Å; F396-F416 AromaticContact CE1-CG 3.68Å; F396-F416 HydrophobicContact CE1-CG 3.68Å; F396-F416 HydrophobicContact CZ-CB 4.39Å; F396-F416 HydrophobicContact CZ-CD1 4.14Å; F396-F416 HydrophobicContact CZ-CD2 4.16Å; F396-F416 HydrophobicContact CZ-CE1 4.45Å; F396-F416 HydrophobicContact CZ-CE2 4.44Å; F396-F416 AromaticContact CZ-CG 3.99Å; F396-F416 HydrophobicContact CZ-CG 3.99Å; F396-I448 HydrophobicContact CD1-CG2 4.39Å; F396-F456 WeakPolarHBondContact CB-O 3.3Å; F396-F456 HydrophobicContact CD1-CB 4.07Å; F396-F456 AromaticContact CD1-CD1 3.62Å; F396-F456 HydrophobicContact CD1-CD1 3.62Å; F396-F456 HydrophobicContact CD1-CE1 4.48Å; F396-F456 HydrophobicContact CD1-CG 4.17Å; F396-F456 HydrophobicContact CD2-CD1 4.24Å; F396-F456 AromaticContact CE1-CD1 3.32Å; F396-F456 HydrophobicContact CE1-CD1 3.32Å; F396-F456 AromaticContact CE1-CE1 3.75Å; F396-F456 HydrophobicContact CE1-CE1 3.75Å; F396-F456 HydrophobicContact CE1-CG 4.19Å; F396-F456 AromaticContact CE2-CD1 3.98Å; F396-F456 HydrophobicContact CE2-CD1 3.98Å; F396-F456 HydrophobicContact CE2-CE1 4.36Å; F396-F456 HydrophobicContact CG-CB 4.32Å; F396-F456 HydrophobicContact CG-CD1 4.07Å; F396-F456 AromaticContact CZ-CD1 3.52Å; F396-F456 HydrophobicContact CZ-CD1 3.52Å; F396-F456 AromaticContact CZ-CE1 3.67Å; F396-F456 HydrophobicContact CZ-CE1 3.67Å |
| 397 | S | 91.3 | Very high | 84 | Confident | 7 Ų | 7 | 19.4 Ų | 19.4 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 112.9 | K395 G401 H402 C458 N459 | K395-S397 VanDerWaalsContact C-N 3.33Å; K395-S397 PolarHBondContact O-N 3.44Å; S397-G401 VanDerWaalsContact O-CA 3.27Å; S397-G401 WeakPolarHBondContact O-CA 3.18Å; S397-G401 PolarHBondContact O-N 2.91Å; S397-H402 PolarHBondContact O-N 2.86Å; S397-C458 PolarHBondContact N-O 3.24Å; S397-N459 WeakPolarHBondContact CB-OD1 3.14Å; S397-N459 PolarHBondContact N-OD1 2.85Å; S397-N459 VanDerWaalsContact N-OD1 3.12Å |
| 398 | D | 91.7 | Very high | 83 | Confident | 34 Ų | 34 | 23 Ų | 23 | 18% | 0.182 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.3 | -46 | 178.2 | -58.9 | -11 | 0 | 0 | 0 | 111.3 | K395 F396 E411 Q412 N459 | K395-D398 HydrophobicContact CB-CB 4.05Å; K395-D398 WeakPolarHBondContact CD-OD2 3.44Å; K395-D398 WeakPolarHBondContact CE-OD2 3.31Å; K395-D398 IonicContact NZ-OD2 2.82Å; K395-D398 PolarHBondContact NZ-OD2 3.4Å; K395-D398 PolarHBondContact O-N 2.85Å; K395-D398 VanDerWaalsContact O-N 3.16Å; F396-D398 PolarHBondContact O-N 2.77Å; D398-E411 HydrophobicContact CB-CB 4.11Å; D398-Q412 WeakPolarHBondContact O-CG 3.26Å; D398-N459 VanDerWaalsContact CG-ND2 3.3Å; D398-N459 PolarHBondContact N-OD1 2.86Å; D398-N459 PolarHBondContact OD1-ND2 3.36Å; D398-N459 PolarHBondContact OD1-OD1 3.49Å |
| 399 | R | 92.9 | Very high | 82.1 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 2% | 0.023 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.1 | -36.7 | -172.4 | -66.9 | -79.4 | 172.3 | -80.9 | -2.8 | 112.8 | D358 K395 F396 E411 Q412 S413 | D358-R399 IonicContact OD1-CZ 3.69Å; D358-R399 IonicContact OD1-NE 3.66Å; D358-R399 PolarHBondContact OD1-NE 3.35Å; D358-R399 IonicContact OD1-NH2 3.6Å; D358-R399 IonicContact OD2-CZ 2.96Å; D358-R399 IonicContact OD2-NE 3.21Å; D358-R399 PolarHBondContact OD2-NE 3.42Å; D358-R399 IonicContact OD2-NH2 2.74Å; D358-R399 PolarHBondContact OD2-NH2 3.33Å; K395-R399 HydrophobicContact CB-CG 4.12Å; K395-R399 VanDerWaalsContact O-CB 3.24Å; K395-R399 WeakPolarHBondContact O-CB 3.18Å; K395-R399 WeakPolarHBondContact O-CG 3.29Å; K395-R399 PolarHBondContact O-N 2.81Å; F396-R399 PolarHBondContact O-N 3.16Å; R399-E411 WeakPolarHBondContact CD-O 3.19Å; R399-E411 IonicContact CZ-OE2 2.68Å; R399-E411 PolarHBondContact NH1-O 3.28Å; R399-E411 IonicContact NH1-OE2 3.37Å; R399-E411 PolarHBondContact NH1-OE2 3.19Å; R399-E411 IonicContact NH2-OE2 2.82Å; R399-E411 PolarHBondContact NH2-OE2 2.83Å; R399-Q412 CarbonylContact O-C 3.56Å; R399-Q412 VanDerWaalsContact O-CA 3.3Å; R399-Q412 WeakPolarHBondContact O-CA 3.18Å; R399-S413 PolarHBondContact O-N 2.94Å |
| 400 | S | 88.6 | Confident | 81.4 | Confident | 17 Ų | 17 | 31.3 Ų | 31.3 | 12% | 0.119 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -106.2 | 0.1 | -179.6 | -68.6 | 0 | 0 | 0 | 0 | 113.4 | K66 F396 H402 | K66-S400 WeakPolarHBondContact CD-O 3.35Å; K66-S400 WeakPolarHBondContact CE-O 3.27Å; K66-S400 PolarHBondContact NZ-O 2.57Å; F396-S400 WeakPolarHBondContact O-CB 3.16Å; F396-S400 PolarHBondContact O-N 3.45Å; S400-H402 WeakPolarHBondContact CB-CD2 3.42Å; S400-H402 WeakPolarHBondContact CB-NE2 3.25Å |
| 401 | G | 82.8 | Confident | 81.1 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 55.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | K66 S397 | K66-G401 PolarHBondContact NZ-O 3.44Å; S397-G401 VanDerWaalsContact O-CA 3.27Å; S397-G401 WeakPolarHBondContact O-CA 3.18Å; S397-G401 PolarHBondContact O-N 2.91Å |
| 402 | H | 75.3 | Confident | 81 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | trans | -84.3 | -50.4 | -172.8 | -76.2 | -109.4 | 0 | 0 | 0 | 114.3 | F396 S397 S400 I448 N451 | F396-H402 PolarHBondContact O-CD2 2.78Å; S397-H402 PolarHBondContact O-N 2.86Å; S400-H402 WeakPolarHBondContact CB-CD2 3.42Å; S400-H402 WeakPolarHBondContact CB-NE2 3.25Å; H402-I448 PolarHBondContact CE1-O 2.83Å; H402-I448 PolarHBondContact NE2-O 3.12Å; H402-N451 PolarHBondContact CE1-OD1 3Å; H402-N451 PolarHBondContact ND1-OD1 3.31Å | ||
| 403 | V | 64.6 | Low | 80.9 | Confident | 25 Ų | 25 | 35 Ų | 35 | 15% | 0.152 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -141 | 145.1 | -163 | 170.1 | 0 | 0 | 0 | 0 | 108.3 | R96 I98 L101 L407 | R96-V403 WeakPolarHBondContact O-CA 3.38Å; R96-V403 WeakPolarHBondContact O-CG1 3.42Å; I98-V403 HydrophobicContact CG1-CG1 4.34Å; I98-V403 HydrophobicContact CG1-CG2 4.16Å; L101-V403 HydrophobicContact CD1-CG2 3.91Å; L101-V403 HydrophobicContact CD2-CG2 4.48Å; V403-L407 WeakPolarHBondContact O-CD1 3.36Å; V403-L407 WeakPolarHBondContact O-CG 3.46Å |
| 404 | S | 56.8 | Low | 80.8 | Confident | 40 Ų | 40 | 35.8 Ų | 35.8 | 28% | 0.28 | 20% | 0.203 | S | C | . | . | trans | 121.3 | 133.4 | 162.9 | -164.8 | 0 | 0 | 0 | 0 | 115 | R96 S406 | R96-S404 PolarHBondContact O-N 3.29Å; S404-S406 PolarHBondContact O-N 2.76Å; S404-S406 PolarHBondContact OG-N 3.05Å; S404-S406 PolarHBondContact OG-OG 3.3Å | ||
| 405 | P | 47.4 | Very low | 80.8 | Confident | 94 Ų | 94 | 35.9 Ų | 35.9 | 61% | 0.61 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.2 | 160.6 | -17.2 | 28.9 | 0 | 0 | 0 | 114.3 | P95 I599 | P95-P405 HydrophobicContact CB-CB 4.03Å; P95-P405 HydrophobicContact CB-CG 3.77Å; P95-P405 HydrophobicContact CG-CB 4.43Å; P405-I599 WeakPolarHBondContact O-CD1 3.37Å |
| 406 | S | 53.9 | Low | 80.9 | Confident | 58 Ų | 58 | 34 Ų | 34 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 28 | -179.1 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | S404 N408 D597 | S404-S406 PolarHBondContact O-N 2.76Å; S404-S406 PolarHBondContact OG-N 3.05Å; S404-S406 PolarHBondContact OG-OG 3.3Å; S406-N408 PolarHBondContact O-N 2.75Å; S406-D597 WeakPolarHBondContact CB-OD1 3.09Å |
| 407 | L | 61.2 | Low | 80.9 | Confident | 54 Ų | 54 | 34.4 Ų | 34.4 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | trans | -64.5 | 100.2 | -176.3 | -116.4 | 168.5 | 0 | 0 | 0 | 112.2 | V403 I409 | V403-L407 WeakPolarHBondContact O-CD1 3.36Å; V403-L407 WeakPolarHBondContact O-CG 3.46Å; L407-I409 PolarHBondContact O-N 2.88Å | ||
| 408 | N | 71.6 | Confident | 81.2 | Confident | 86 Ų | 86 | 34.2 Ų | 34.2 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | trans | -66.7 | 101.1 | 172.6 | -178.8 | 2.4 | 0 | 0 | 0 | 110 | S406 N410 E411 | S406-N408 PolarHBondContact O-N 2.75Å; N408-N410 PolarHBondContact O-N 2.83Å; N408-N410 WeakPolarHBondContact OD1-CB 3.23Å; N408-N410 PolarHBondContact OD1-N 3.47Å; N408-N410 VanDerWaalsContact OD1-N 3.09Å; N408-N410 PolarHBondContact OD1-ND2 3.4Å; N408-E411 HydrophobicContact CB-CG 4.27Å; N408-E411 WeakPolarHBondContact O-CB 3.45Å; N408-E411 PolarHBondContact O-N 3.15Å | ||
| 409 | I | 77.4 | Confident | 81.5 | Confident | 100 Ų | 100 | 32.6 Ų | 32.6 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -12.3 | -178.4 | -158.7 | 165.1 | 0 | 0 | 0 | 114 | R298 L407 | R298-I409 PolarHBondContact NH1-O 3Å; R298-I409 VanDerWaalsContact NH1-O 3.14Å; L407-I409 PolarHBondContact O-N 2.88Å |
| 410 | N | 83.6 | Confident | 81.8 | Confident | 76 Ų | 76 | 32.3 Ų | 32.3 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.2 | 173.8 | -64.8 | -62.4 | 0 | 0 | 0 | 115 | L294 H295 R298 N408 | L294-N410 WeakPolarHBondContact CD1-O 3.42Å; H295-N410 PolarHBondContact CE1-O 3.11Å; H295-N410 VanDerWaalsContact CE1-O 3.24Å; H295-N410 PolarHBondContact ND1-O 3.37Å; H295-N410 VanDerWaalsContact ND1-O 3.07Å; R298-N410 PolarHBondContact NH1-OD1 3.26Å; R298-N410 PolarHBondContact NH2-OD1 2.91Å; N408-N410 PolarHBondContact O-N 2.83Å; N408-N410 WeakPolarHBondContact OD1-CB 3.23Å; N408-N410 PolarHBondContact OD1-N 3.47Å; N408-N410 VanDerWaalsContact OD1-N 3.09Å; N408-N410 PolarHBondContact OD1-ND2 3.4Å |
| 411 | E | 89.4 | Confident | 82.2 | Confident | 49 Ų | 49 | 31.5 Ų | 31.5 | 23% | 0.229 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -84.3 | -13.1 | 173.2 | -71 | -65 | 124.8 | 0 | 0 | 113 | D398 R399 N408 S413 | D398-E411 HydrophobicContact CB-CB 4.11Å; R399-E411 WeakPolarHBondContact CD-O 3.19Å; R399-E411 IonicContact CZ-OE2 2.68Å; R399-E411 PolarHBondContact NH1-O 3.28Å; R399-E411 IonicContact NH1-OE2 3.37Å; R399-E411 PolarHBondContact NH1-OE2 3.19Å; R399-E411 IonicContact NH2-OE2 2.82Å; R399-E411 PolarHBondContact NH2-OE2 2.83Å; N408-E411 HydrophobicContact CB-CG 4.27Å; N408-E411 WeakPolarHBondContact O-CB 3.45Å; N408-E411 PolarHBondContact O-N 3.15Å; E411-S413 PolarHBondContact O-N 3.41Å |
| 412 | Q | 90.9 | Very high | 83 | Confident | 31 Ų | 31 | 31.3 Ų | 31.3 | 15% | 0.145 | 18% | 0.178 | C | C | . | . | trans | -68.8 | 128.2 | 176.6 | -70.3 | -178.1 | 37.1 | 0 | 0 | 110.5 | R298 D398 R399 | R298-Q412 WeakPolarHBondContact CD-O 3.17Å; D398-Q412 WeakPolarHBondContact O-CG 3.26Å; R399-Q412 CarbonylContact O-C 3.56Å; R399-Q412 VanDerWaalsContact O-CA 3.3Å; R399-Q412 WeakPolarHBondContact O-CA 3.18Å | ||
| 413 | S | 94.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | trans | -167.2 | 137.3 | -180 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | L294 R399 E411 I415 | L294-S413 WeakPolarHBondContact O-CB 3.47Å; L294-S413 PolarHBondContact O-OG 3.29Å; R399-S413 PolarHBondContact O-N 2.94Å; E411-S413 PolarHBondContact O-N 3.41Å; S413-I415 PolarHBondContact O-N 3.48Å; S413-I415 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 414 | P | 94.6 | Very high | 85.7 | Confident | 18 Ų | 18 | 30.3 Ų | 30.3 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | trans | -78.6 | 45.4 | -172.2 | 34.4 | -38.9 | 0 | 0 | 0 | 113.7 | V297 F301 W324 F416 L417 Q418 | V297-P414 HydrophobicContact CG1-CG 4.14Å; F301-P414 HydrophobicContact CB-CG 3.68Å; F301-P414 HydrophobicContact CD1-CB 4.27Å; F301-P414 HydrophobicContact CD1-CG 3.82Å; F301-P414 HydrophobicContact CD2-CG 4.19Å; F301-P414 HydrophobicContact CE1-CB 4.47Å; F301-P414 HydrophobicContact CE1-CG 4.48Å; F301-P414 HydrophobicContact CG-CB 4.37Å; F301-P414 HydrophobicContact CG-CG 3.64Å; W324-P414 HydrophobicContact CH2-CG 4.08Å; W324-P414 HydrophobicContact CZ3-CG 4.26Å; P414-F416 PolarHBondContact O-N 3.17Å; P414-L417 HydrophobicContact CB-CB 4.1Å; P414-L417 HydrophobicContact CB-CD2 4.21Å; P414-L417 PolarHBondContact O-N 2.9Å; P414-Q418 WeakPolarHBondContact O-CB 3.32Å; P414-Q418 PolarHBondContact O-N 3.49Å | ||
| 415 | I | 97.6 | Very high | 87.7 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | -172.1 | -57.3 | -60 | 0 | 0 | 0 | 112.7 | L294 V297 D358 Q362 W389 S413 W419 | L294-I415 HydrophobicContact CB-CD1 4.03Å; V297-I415 HydrophobicContact CB-CD1 4.16Å; V297-I415 HydrophobicContact CG1-CD1 4.11Å; V297-I415 HydrophobicContact CG2-CD1 4.31Å; D358-I415 HydrophobicContact CB-CG2 4.15Å; Q362-I415 HydrophobicContact CG-CG2 3.98Å; Q362-I415 PolarHBondContact NE2-O 2.96Å; W389-I415 HydrophobicContact CH2-CG2 4.16Å; W389-I415 HydrophobicContact CZ3-CG2 4.05Å; S413-I415 PolarHBondContact O-N 3.48Å; S413-I415 WeakPolarHBondContact OG-CD1 3.44Å; I415-W419 PolarHBondContact O-N 3.5Å |
| 416 | F | 97.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.022 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.9 | -31.8 | 176.8 | -173.8 | -119.9 | 0 | 0 | 0 | 112.7 | V385 W389 F396 P414 W419 L420 I448 F456 | V385-F416 HydrophobicContact CG1-CE2 4.14Å; V385-F416 HydrophobicContact CG1-CZ 3.74Å; V385-F416 HydrophobicContact CG2-CE2 4.23Å; V385-F416 HydrophobicContact CG2-CZ 4.02Å; W389-F416 AromaticContact CD2-CD2 3.47Å; W389-F416 HydrophobicContact CD2-CD2 3.47Å; W389-F416 VanDerWaalsContact CD2-CD2 3.47Å; W389-F416 AromaticContact CD2-CE2 3.83Å; W389-F416 HydrophobicContact CD2-CE2 3.83Å; W389-F416 AromaticContact CE2-CD2 3.67Å; W389-F416 AromaticContact CE2-CE2 3.96Å; W389-F416 HydrophobicContact CE3-CB 4.15Å; W389-F416 AromaticContact CE3-CD2 3.49Å; W389-F416 HydrophobicContact CE3-CD2 3.49Å; W389-F416 VanDerWaalsContact CE3-CD2 3.49Å; W389-F416 HydrophobicContact CE3-CE2 4.28Å; W389-F416 HydrophobicContact CE3-CG 4.2Å; W389-F416 HydrophobicContact CG-CD2 4.06Å; W389-F416 AromaticContact CG-CE2 3.94Å; W389-F416 HydrophobicContact CG-CE2 3.94Å; W389-F416 HydrophobicContact CH2-CB 4.29Å; W389-F416 AromaticContact CH2-CD2 3.89Å; W389-F416 HydrophobicContact CH2-CD2 3.89Å; W389-F416 AromaticContact CZ2-CD2 3.89Å; W389-F416 HydrophobicContact CZ2-CD2 3.89Å; W389-F416 HydrophobicContact CZ3-CB 3.8Å; W389-F416 AromaticContact CZ3-CD2 3.71Å; W389-F416 HydrophobicContact CZ3-CD2 3.71Å; W389-F416 HydrophobicContact CZ3-CG 4.23Å; F396-F416 HydrophobicContact CE1-CB 3.87Å; F396-F416 AromaticContact CE1-CD1 3.6Å; F396-F416 HydrophobicContact CE1-CD1 3.6Å; F396-F416 HydrophobicContact CE1-CD2 4.32Å; F396-F416 HydrophobicContact CE1-CE1 4.18Å; F396-F416 AromaticContact CE1-CG 3.68Å; F396-F416 HydrophobicContact CE1-CG 3.68Å; F396-F416 HydrophobicContact CZ-CB 4.39Å; F396-F416 HydrophobicContact CZ-CD1 4.14Å; F396-F416 HydrophobicContact CZ-CD2 4.16Å; F396-F416 HydrophobicContact CZ-CE1 4.45Å; F396-F416 HydrophobicContact CZ-CE2 4.44Å; F396-F416 AromaticContact CZ-CG 3.99Å; F396-F416 HydrophobicContact CZ-CG 3.99Å; P414-F416 PolarHBondContact O-N 3.17Å; F416-W419 HydrophobicContact CD2-CD2 4.43Å; F416-W419 AromaticContact CD2-CE3 3.69Å; F416-W419 HydrophobicContact CD2-CE3 3.69Å; F416-W419 HydrophobicContact CD2-CZ3 4.23Å; F416-W419 HydrophobicContact CE2-CD2 4.3Å; F416-W419 AromaticContact CE2-CE3 3.29Å; F416-W419 HydrophobicContact CE2-CE3 3.29Å; F416-W419 HydrophobicContact CE2-CH2 4.4Å; F416-W419 AromaticContact CE2-CZ3 3.36Å; F416-W419 HydrophobicContact CE2-CZ3 3.36Å; F416-W419 HydrophobicContact CZ-CE3 4.02Å; F416-W419 AromaticContact CZ-CZ3 3.81Å; F416-W419 HydrophobicContact CZ-CZ3 3.81Å; F416-W419 WeakPolarHBondContact O-CB 3.44Å; F416-W419 PolarHBondContact O-N 3.4Å; F416-L420 HydrophobicContact CD1-CD1 4.37Å; F416-L420 HydrophobicContact CE1-CD1 4.11Å; F416-L420 HydrophobicContact CE1-CG 4.35Å; F416-L420 HydrophobicContact CZ-CD2 4.32Å; F416-L420 PolarHBondContact O-N 3.38Å; F416-I448 HydrophobicContact CD1-CD1 3.54Å; F416-I448 HydrophobicContact CD1-CG1 3.76Å; F416-I448 HydrophobicContact CE1-CD1 4.12Å; F416-I448 HydrophobicContact CE1-CG1 4.01Å; F416-F456 HydrophobicContact CD1-CE1 4.49Å; F416-F456 AromaticContact CE1-CE1 3.81Å; F416-F456 HydrophobicContact CE1-CE1 3.81Å; F416-F456 AromaticContact CE1-CZ 3.75Å; F416-F456 HydrophobicContact CE1-CZ 3.75Å; F416-F456 HydrophobicContact CZ-CE1 4.1Å; F416-F456 HydrophobicContact CZ-CZ 4.12Å |
| 417 | L | 95.7 | Very high | 92.2 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.8 | -38.8 | 174.5 | 172.5 | 58.1 | 0 | 0 | 0 | 111.9 | F301 P414 W419 L420 D421 I448 W513 F516 Y517 | F301-L417 HydrophobicContact CE2-CD2 4.15Å; F301-L417 HydrophobicContact CZ-CD2 3.84Å; P414-L417 HydrophobicContact CB-CB 4.1Å; P414-L417 HydrophobicContact CB-CD2 4.21Å; P414-L417 PolarHBondContact O-N 2.9Å; L417-W419 PolarHBondContact O-N 3.09Å; L417-L420 PolarHBondContact O-N 3.34Å; L417-D421 PolarHBondContact O-N 3.07Å; L417-I448 HydrophobicContact CB-CD1 4.42Å; L417-W513 HydrophobicContact CD1-CZ3 4.34Å; L417-F516 HydrophobicContact CD1-CD1 3.81Å; L417-F516 HydrophobicContact CD1-CE1 3.3Å; L417-F516 HydrophobicContact CD1-CE2 4.45Å; L417-F516 HydrophobicContact CD1-CZ 3.67Å; L417-F516 HydrophobicContact CD2-CE1 3.76Å; L417-F516 HydrophobicContact CD2-CZ 4.45Å; L417-F516 HydrophobicContact CG-CE1 4.18Å; L417-Y517 HydrophobicContact CD1-CE1 4.46Å; L417-Y517 HydrophobicContact CD2-CE1 4.23Å; L417-Y517 HydrophobicContact CG-CE1 4.47Å |
| 418 | Q | 97.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.8 | -35.6 | 171 | -169.4 | -173.6 | 18.3 | 0 | 0 | 111.5 | W324 N327 I328 L331 P414 C422 | W324-Q418 HydrophobicContact CH2-CB 3.67Å; W324-Q418 HydrophobicContact CH2-CG 3.84Å; W324-Q418 HydrophobicContact CZ2-CB 3.99Å; W324-Q418 HydrophobicContact CZ2-CG 4.04Å; W324-Q418 HydrophobicContact CZ3-CG 4.41Å; N327-Q418 VanDerWaalsContact CB-NE2 3.3Å; I328-Q418 HydrophobicContact CD1-CG 3.7Å; I328-Q418 VanDerWaalsContact CD1-O 3.28Å; I328-Q418 WeakPolarHBondContact CD1-O 3.03Å; L331-Q418 HydrophobicContact CD1-CG 3.81Å; P414-Q418 WeakPolarHBondContact O-CB 3.32Å; P414-Q418 PolarHBondContact O-N 3.49Å; Q418-C422 PolarHBondContact O-N 3.4Å; Q418-C422 VanDerWaalsContact O-N 3.15Å; Q418-C422 PolarHBondContact O-SG 2.84Å |
| 419 | W | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.6 | -43.6 | 173 | 178.9 | 80.4 | 0 | 0 | 0 | 112.6 | Q362 S365 F381 L384 V385 W389 I415 F416 L417 D421 C422 V423 | Q362-W419 HydrophobicContact CG-CB 4.38Å; S365-W419 VanDerWaalsContact OG-CE2 3.26Å; S365-W419 WeakPolarHBondContact OG-CZ2 3.36Å; S365-W419 PolarHBondContact OG-NE1 3.03Å; F381-W419 AromaticContact CE1-CH2 3.83Å; F381-W419 HydrophobicContact CE1-CH2 3.83Å; F381-W419 AromaticContact CE1-CZ3 3.94Å; F381-W419 HydrophobicContact CE1-CZ3 3.94Å; F381-W419 AromaticContact CE2-CH2 3.62Å; F381-W419 HydrophobicContact CE2-CH2 3.62Å; F381-W419 HydrophobicContact CE2-CZ2 4.23Å; F381-W419 HydrophobicContact CE2-CZ3 4.3Å; F381-W419 AromaticContact CZ-CH2 3.2Å; F381-W419 HydrophobicContact CZ-CH2 3.2Å; F381-W419 HydrophobicContact CZ-CZ2 4.18Å; F381-W419 AromaticContact CZ-CZ3 3.46Å; F381-W419 HydrophobicContact CZ-CZ3 3.46Å; F381-W419 VanDerWaalsContact CZ-CZ3 3.46Å; L384-W419 HydrophobicContact CD2-CH2 4.5Å; L384-W419 HydrophobicContact CD2-CZ2 4.08Å; V385-W419 HydrophobicContact CG2-CH2 3.73Å; V385-W419 HydrophobicContact CG2-CZ3 3.81Å; W389-W419 HydrophobicContact CH2-CB 3.84Å; W389-W419 HydrophobicContact CH2-CG 4.17Å; W389-W419 HydrophobicContact CZ2-CB 3.61Å; W389-W419 AromaticContact CZ2-CD1 3.74Å; W389-W419 AromaticContact CZ2-CD2 3.78Å; W389-W419 HydrophobicContact CZ2-CD2 3.78Å; W389-W419 HydrophobicContact CZ2-CE3 4.36Å; W389-W419 AromaticContact CZ2-CG 3.42Å; W389-W419 HydrophobicContact CZ2-CG 3.42Å; W389-W419 VanDerWaalsContact CZ2-CG 3.42Å; W389-W419 AromaticContact NE1-CE2 3.89Å; I415-W419 PolarHBondContact O-N 3.5Å; F416-W419 HydrophobicContact CD2-CD2 4.43Å; F416-W419 AromaticContact CD2-CE3 3.69Å; F416-W419 HydrophobicContact CD2-CE3 3.69Å; F416-W419 HydrophobicContact CD2-CZ3 4.23Å; F416-W419 HydrophobicContact CE2-CD2 4.3Å; F416-W419 AromaticContact CE2-CE3 3.29Å; F416-W419 HydrophobicContact CE2-CE3 3.29Å; F416-W419 HydrophobicContact CE2-CH2 4.4Å; F416-W419 AromaticContact CE2-CZ3 3.36Å; F416-W419 HydrophobicContact CE2-CZ3 3.36Å; F416-W419 HydrophobicContact CZ-CE3 4.02Å; F416-W419 AromaticContact CZ-CZ3 3.81Å; F416-W419 HydrophobicContact CZ-CZ3 3.81Å; F416-W419 WeakPolarHBondContact O-CB 3.44Å; F416-W419 PolarHBondContact O-N 3.4Å; L417-W419 PolarHBondContact O-N 3.09Å; W419-D421 VanDerWaalsContact C-N 3.28Å; W419-D421 PolarHBondContact O-N 3.29Å; W419-C422 WeakPolarHBondContact O-CA 3.2Å; W419-C422 VanDerWaalsContact O-CB 3.29Å; W419-C422 WeakPolarHBondContact O-CB 3.39Å; W419-C422 PolarHBondContact O-N 3.28Å; W419-V423 HydrophobicContact CD2-CG2 4.06Å; W419-V423 HydrophobicContact CE3-CG2 4.28Å; W419-V423 HydrophobicContact CH2-CG2 4.21Å; W419-V423 HydrophobicContact CZ2-CG2 3.95Å; W419-V423 HydrophobicContact CZ3-CG2 4.35Å; W419-V423 WeakPolarHBondContact O-CG2 3.23Å; W419-V423 PolarHBondContact O-N 3.16Å |
| 420 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.7 | -34.5 | 175.1 | -68.8 | 179.7 | 0 | 0 | 0 | 112.7 | F381 F416 L417 V423 H424 L441 L444 I448 W513 | F381-L420 HydrophobicContact CZ-CD2 4.28Å; F416-L420 HydrophobicContact CD1-CD1 4.37Å; F416-L420 HydrophobicContact CE1-CD1 4.11Å; F416-L420 HydrophobicContact CE1-CG 4.35Å; F416-L420 HydrophobicContact CZ-CD2 4.32Å; F416-L420 PolarHBondContact O-N 3.38Å; L417-L420 PolarHBondContact O-N 3.34Å; L420-V423 PolarHBondContact O-N 3.42Å; L420-H424 PolarHBondContact O-N 3Å; L420-L441 HydrophobicContact CD2-CD2 4.18Å; L420-L444 HydrophobicContact CD1-CD2 4.42Å; L420-L444 HydrophobicContact CD1-CG 4.15Å; L420-L444 HydrophobicContact CD2-CD2 3.65Å; L420-L444 HydrophobicContact CD2-CG 4.28Å; L420-I448 HydrophobicContact CD1-CD1 3.91Å; L420-W513 HydrophobicContact CB-CH2 4.27Å; L420-W513 HydrophobicContact CB-CZ3 3.96Å |
| 421 | D | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 170.5 | -170.8 | -9.2 | 0 | 0 | 0 | 110.6 | W324 I328 L417 W419 V423 H424 Q425 W513 Y517 | W324-D421 PolarHBondContact NE1-OD2 3.09Å; I328-D421 HydrophobicContact CD1-CB 3.79Å; L417-D421 PolarHBondContact O-N 3.07Å; W419-D421 VanDerWaalsContact C-N 3.28Å; W419-D421 PolarHBondContact O-N 3.29Å; D421-V423 VanDerWaalsContact C-N 3.29Å; D421-V423 PolarHBondContact O-N 3.12Å; D421-H424 CarbonylContact O-C 3.29Å; D421-H424 WeakPolarHBondContact O-CA 3.49Å; D421-H424 WeakPolarHBondContact O-CB 3.46Å; D421-H424 PolarHBondContact O-N 3.15Å; D421-Q425 WeakPolarHBondContact O-CG 3.37Å; D421-Q425 PolarHBondContact O-N 3.14Å; D421-Q425 PolarHBondContact OD1-NE2 3.34Å; D421-W513 HydrophobicContact CB-CE3 4.15Å; D421-Y517 PolarHBondContact OD2-OH 3.43Å |
| 422 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.2 | -42.3 | 172 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | L332 L366 Q418 W419 Q425 I426 | L332-C422 HydrophobicContact CD2-CB 3.86Å; L332-C422 HydrophobicContact CG-CB 4.33Å; L366-C422 HydrophobicContact CD1-CB 3.79Å; L366-C422 HydrophobicContact CD2-CB 3.71Å; L366-C422 HydrophobicContact CG-CB 4.39Å; Q418-C422 PolarHBondContact O-N 3.4Å; Q418-C422 VanDerWaalsContact O-N 3.15Å; Q418-C422 PolarHBondContact O-SG 2.84Å; W419-C422 WeakPolarHBondContact O-CA 3.2Å; W419-C422 VanDerWaalsContact O-CB 3.29Å; W419-C422 WeakPolarHBondContact O-CB 3.39Å; W419-C422 PolarHBondContact O-N 3.28Å; C422-Q425 PolarHBondContact O-N 3.32Å; C422-I426 WeakPolarHBondContact O-CG1 3.3Å; C422-I426 PolarHBondContact O-N 3.13Å; C422-I426 VanDerWaalsContact O-N 3.09Å |
| 423 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 175 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L366 L369 F381 W419 L420 D421 I426 R427 F436 L441 | L366-V423 HydrophobicContact CD2-CG2 4.21Å; L369-V423 HydrophobicContact CD2-CB 4.42Å; L369-V423 HydrophobicContact CD2-CG1 4.08Å; L369-V423 HydrophobicContact CD2-CG2 3.77Å; F381-V423 HydrophobicContact CE2-CG1 3.76Å; F381-V423 HydrophobicContact CE2-CG2 4.05Å; F381-V423 HydrophobicContact CZ-CG1 4.03Å; F381-V423 HydrophobicContact CZ-CG2 4.16Å; W419-V423 HydrophobicContact CD2-CG2 4.06Å; W419-V423 HydrophobicContact CE3-CG2 4.28Å; W419-V423 HydrophobicContact CH2-CG2 4.21Å; W419-V423 HydrophobicContact CZ2-CG2 3.95Å; W419-V423 HydrophobicContact CZ3-CG2 4.35Å; W419-V423 WeakPolarHBondContact O-CG2 3.23Å; W419-V423 PolarHBondContact O-N 3.16Å; L420-V423 PolarHBondContact O-N 3.42Å; D421-V423 VanDerWaalsContact C-N 3.29Å; D421-V423 PolarHBondContact O-N 3.12Å; V423-I426 PolarHBondContact O-N 3.49Å; V423-R427 VanDerWaalsContact O-CB 3.3Å; V423-R427 WeakPolarHBondContact O-CB 3.45Å; V423-R427 PolarHBondContact O-N 3.49Å; V423-F436 HydrophobicContact CG1-CE2 3.84Å; V423-F436 HydrophobicContact CG1-CZ 3.95Å; V423-L441 HydrophobicContact CB-CD2 4.43Å; V423-L441 HydrophobicContact CG1-CD1 4.08Å; V423-L441 HydrophobicContact CG1-CD2 3.75Å |
| 424 | H | 98.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 16 Ų | 16 | 3% | 0.032 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 173.5 | 173.8 | 82.8 | 0 | 0 | 0 | 111.7 | L420 D421 R427 N428 E438 L441 W513 | L420-H424 PolarHBondContact O-N 3Å; D421-H424 CarbonylContact O-C 3.29Å; D421-H424 WeakPolarHBondContact O-CA 3.49Å; D421-H424 WeakPolarHBondContact O-CB 3.46Å; D421-H424 PolarHBondContact O-N 3.15Å; H424-R427 PolarHBondContact O-N 2.77Å; H424-N428 PolarHBondContact CD2-ND2 3.46Å; H424-N428 PolarHBondContact CE1-ND2 3.19Å; H424-N428 VanDerWaalsContact CE1-ND2 3.28Å; H424-N428 PolarHBondContact NE2-ND2 3.47Å; H424-N428 WeakPolarHBondContact O-CB 3.33Å; H424-N428 PolarHBondContact O-N 2.87Å; H424-N428 PolarHBondContact O-OD1 2.92Å; H424-E438 IonicContact CE1-OE1 2.95Å; H424-E438 PolarHBondContact CE1-OE1 3.5Å; H424-E438 IonicContact ND1-OE1 3.03Å; H424-L441 HydrophobicContact CB-CD1 4.16Å; H424-W513 HydrophobicContact CB-CD2 4.08Å; H424-W513 HydrophobicContact CB-CE3 4.27Å; H424-W513 HydrophobicContact CB-CG 4.49Å; H424-W513 HydrophobicContact CB-CZ2 4.46Å; H424-W513 AromaticContact CD2-CD1 3.66Å; H424-W513 AromaticContact CD2-CG 3.59Å; H424-W513 AromaticContact CE1-CD1 3.2Å; H424-W513 AromaticContact CE1-CG 3.93Å; H424-W513 AromaticContact CE1-NE1 3.37Å; H424-W513 PolarHBondContact CE1-NE1 3.02Å; H424-W513 AromaticContact CG-CD1 3.8Å; H424-W513 AromaticContact CG-CD2 3.86Å; H424-W513 AromaticContact CG-CE2 3.87Å; H424-W513 AromaticContact CG-CG 3.83Å; H424-W513 AromaticContact CG-NE1 3.83Å; H424-W513 AromaticContact ND1-CD1 3.53Å; H424-W513 AromaticContact ND1-CE2 3.7Å; H424-W513 AromaticContact ND1-NE1 3.31Å; H424-W513 PolarHBondContact ND1-NE1 3.49Å; H424-W513 AromaticContact NE2-CD1 3.3Å; H424-W513 VanDerWaalsContact NE2-CD1 3.3Å; H424-W513 AromaticContact NE2-CG 3.68Å; H424-W513 AromaticContact NE2-NE1 3.92Å |
| 425 | Q | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.7 | -49.9 | 175.3 | -56.4 | -49.9 | -42.8 | 0 | 0 | 112.2 | I328 L332 D421 C422 R427 N428 Q429 L510 S511 | I328-Q425 HydrophobicContact CG2-CG 3.64Å; L332-Q425 HydrophobicContact CD1-CB 3.86Å; L332-Q425 HydrophobicContact CD1-CG 4.18Å; D421-Q425 WeakPolarHBondContact O-CG 3.37Å; D421-Q425 PolarHBondContact O-N 3.14Å; D421-Q425 PolarHBondContact OD1-NE2 3.34Å; C422-Q425 PolarHBondContact O-N 3.32Å; Q425-R427 VanDerWaalsContact C-N 3.32Å; Q425-R427 PolarHBondContact O-N 3.02Å; Q425-N428 PolarHBondContact O-N 2.93Å; Q425-Q429 PolarHBondContact O-N 2.8Å; Q425-Q429 VanDerWaalsContact O-N 3.07Å; Q425-L510 HydrophobicContact CB-CD2 4.21Å; Q425-L510 HydrophobicContact CG-CD2 4.1Å; Q425-S511 PolarHBondContact NE2-O 3.06Å; Q425-S511 PolarHBondContact OE1-O 3.26Å; Q425-S511 PolarHBondContact OE1-OG 3.12Å |
| 426 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 179.6 | -57.8 | 161 | 0 | 0 | 0 | 109.8 | L332 L366 L370 C422 V423 N428 Q429 F430 F434 L501 P503 | L332-I426 HydrophobicContact CD2-CD1 3.6Å; L332-I426 HydrophobicContact CD2-CG1 3.51Å; L366-I426 HydrophobicContact CD2-CD1 3.85Å; L370-I426 HydrophobicContact CD2-CD1 3.79Å; L370-I426 HydrophobicContact CD2-CG1 4.17Å; L370-I426 HydrophobicContact CD2-CG2 3.93Å; L370-I426 HydrophobicContact CG-CD1 4.33Å; C422-I426 WeakPolarHBondContact O-CG1 3.3Å; C422-I426 PolarHBondContact O-N 3.13Å; C422-I426 VanDerWaalsContact O-N 3.09Å; V423-I426 PolarHBondContact O-N 3.49Å; I426-N428 VanDerWaalsContact C-N 3.31Å; I426-N428 PolarHBondContact O-N 3.37Å; I426-Q429 PolarHBondContact O-N 3.27Å; I426-F430 HydrophobicContact CG2-CD2 3.88Å; I426-F430 HydrophobicContact CG2-CE2 4.48Å; I426-F430 WeakPolarHBondContact O-CD2 3.43Å; I426-F430 PolarHBondContact O-N 2.83Å; I426-F434 HydrophobicContact CB-CZ 4.31Å; I426-F434 HydrophobicContact CG2-CE2 3.93Å; I426-F434 HydrophobicContact CG2-CZ 3.65Å; I426-L501 HydrophobicContact CG2-CD1 3.98Å; I426-P503 HydrophobicContact CG1-CG 4.42Å |
| 427 | R | 97.2 | Very high | 97.3 | Very high | 33 Ų | 33 | 18 Ų | 18 | 13% | 0.125 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 177.3 | -167.2 | -148.8 | 155.6 | -95 | -9.3 | 112.3 | V423 H424 Q425 F430 P431 F434 F436 | V423-R427 VanDerWaalsContact O-CB 3.3Å; V423-R427 WeakPolarHBondContact O-CB 3.45Å; V423-R427 PolarHBondContact O-N 3.49Å; H424-R427 PolarHBondContact O-N 2.77Å; Q425-R427 VanDerWaalsContact C-N 3.32Å; Q425-R427 PolarHBondContact O-N 3.02Å; R427-F430 CarbonylContact O-C 3.57Å; R427-F430 PolarHBondContact O-N 3.24Å; R427-P431 VanDerWaalsContact O-CA 3.22Å; R427-P431 WeakPolarHBondContact O-CA 3.41Å; R427-F434 HydrophobicContact CB-CD2 4.12Å; R427-F434 HydrophobicContact CB-CE2 4.31Å; R427-F434 HydrophobicContact CG-CB 4.24Å; R427-F434 HydrophobicContact CG-CD2 3.93Å; R427-F434 HydrophobicContact CG-CG 4.14Å; R427-F436 PolarHBondContact NE-O 3Å |
| 428 | N | 96.8 | Very high | 97.2 | Very high | 59 Ų | 59 | 20.3 Ų | 20.3 | 32% | 0.316 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -69.5 | -34.3 | 178.4 | -69.1 | -8 | 0 | 0 | 0 | 112.4 | H424 Q425 I426 S511 | H424-N428 PolarHBondContact CD2-ND2 3.46Å; H424-N428 PolarHBondContact CE1-ND2 3.19Å; H424-N428 VanDerWaalsContact CE1-ND2 3.28Å; H424-N428 PolarHBondContact NE2-ND2 3.47Å; H424-N428 WeakPolarHBondContact O-CB 3.33Å; H424-N428 PolarHBondContact O-N 2.87Å; H424-N428 PolarHBondContact O-OD1 2.92Å; Q425-N428 PolarHBondContact O-N 2.93Å; I426-N428 VanDerWaalsContact C-N 3.31Å; I426-N428 PolarHBondContact O-N 3.37Å; N428-S511 PolarHBondContact ND2-OG 3.28Å |
| 429 | Q | 97.1 | Very high | 97 | Very high | 55 Ų | 55 | 21 Ų | 21 | 26% | 0.257 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -77.1 | -30.9 | 175.5 | -65.8 | -175.4 | 12.5 | 0 | 0 | 112.7 | Q425 I426 P431 P503 D504 S509 | Q425-Q429 PolarHBondContact O-N 2.8Å; Q425-Q429 VanDerWaalsContact O-N 3.07Å; I426-Q429 PolarHBondContact O-N 3.27Å; Q429-P431 VanDerWaalsContact C-CD 3.44Å; Q429-P431 WeakPolarHBondContact O-CD 3.25Å; Q429-P503 VanDerWaalsContact OE1-CB 3.27Å; Q429-D504 PolarHBondContact NE2-O 3.46Å; Q429-S509 PolarHBondContact NE2-O 3.33Å; Q429-S509 VanDerWaalsContact NE2-O 3.08Å |
| 430 | F | 97 | Very high | 96.8 | Very high | 16 Ų | 16 | 21 Ų | 21 | 7% | 0.07 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -124.4 | 61.7 | -177.8 | -57.7 | -80.5 | 0 | 0 | 0 | 112.6 | I426 R427 H432 C433 F434 E498 L501 P503 | I426-F430 HydrophobicContact CG2-CD2 3.88Å; I426-F430 HydrophobicContact CG2-CE2 4.48Å; I426-F430 WeakPolarHBondContact O-CD2 3.43Å; I426-F430 PolarHBondContact O-N 2.83Å; R427-F430 CarbonylContact O-C 3.57Å; R427-F430 PolarHBondContact O-N 3.24Å; F430-H432 PolarHBondContact O-N 3.42Å; F430-C433 HydrophobicContact CB-CB 3.99Å; F430-C433 PolarHBondContact O-N 2.92Å; F430-F434 HydrophobicContact CB-CE2 4.29Å; F430-F434 WeakPolarHBondContact O-CD2 3.38Å; F430-E498 WeakPolarHBondContact CE1-OE2 3.43Å; F430-L501 HydrophobicContact CB-CD1 4.2Å; F430-L501 HydrophobicContact CB-CD2 4.4Å; F430-L501 HydrophobicContact CD1-CD2 3.78Å; F430-L501 HydrophobicContact CD2-CB 4.34Å; F430-L501 HydrophobicContact CD2-CD1 4.13Å; F430-L501 HydrophobicContact CD2-CD2 4.42Å; F430-L501 HydrophobicContact CE1-CD2 4.11Å; F430-L501 HydrophobicContact CE2-CB 4.18Å; F430-L501 HydrophobicContact CG-CD1 4.13Å; F430-L501 HydrophobicContact CG-CD2 3.95Å; F430-L501 HydrophobicContact CG-CG 4.48Å; F430-L501 HydrophobicContact CZ-CB 4.38Å; F430-P503 HydrophobicContact CE2-CB 4.1Å |
| 431 | P | 94.5 | Very high | 96.7 | Very high | 58 Ų | 58 | 21 Ų | 21 | 38% | 0.377 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.7 | -166.4 | 28 | -37.2 | 0 | 0 | 0 | 115.6 | R427 Q429 N490 | R427-P431 VanDerWaalsContact O-CA 3.22Å; R427-P431 WeakPolarHBondContact O-CA 3.41Å; Q429-P431 VanDerWaalsContact C-CD 3.44Å; Q429-P431 WeakPolarHBondContact O-CD 3.25Å; P431-N490 PolarHBondContact O-ND2 2.63Å |
| 432 | H | 95.7 | Very high | 96.5 | Very high | 68 Ų | 68 | 22.5 Ų | 22.5 | 32% | 0.315 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -10.6 | 174.3 | 56.4 | -81.3 | 0 | 0 | 0 | 113.1 | F430 F434 F492 Y493 E494 | F430-H432 PolarHBondContact O-N 3.42Å; H432-F434 PolarHBondContact O-N 3.46Å; H432-F492 VanDerWaalsContact CA-O 3.22Å; H432-F492 WeakPolarHBondContact CA-O 3.46Å; H432-F492 VanDerWaalsContact CB-O 3.26Å; H432-F492 WeakPolarHBondContact CB-O 3.42Å; H432-Y493 WeakPolarHBondContact O-CA 3.38Å; H432-Y493 WeakPolarHBondContact O-CD2 3.43Å; H432-E494 IonicContact CD2-OE2 2.86Å; H432-E494 PolarHBondContact O-N 2.95Å |
| 433 | C | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -86.5 | 0.1 | -175 | -64.7 | 0 | 0 | 0 | 0 | 114.6 | R376 F430 L501 | R376-C433 WeakPolarHBondContact CB-O 3.42Å; R376-C433 WeakPolarHBondContact CD-O 3.43Å; F430-C433 HydrophobicContact CB-CB 3.99Å; F430-C433 PolarHBondContact O-N 2.92Å; C433-L501 HydrophobicContact CB-CD1 4.13Å; C433-L501 HydrophobicContact CB-CD2 4.33Å |
| 434 | F | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -128.7 | 132 | -173.8 | -64.8 | -88.2 | 0 | 0 | 0 | 112.3 | L369 R376 I426 R427 F430 H432 F436 N490 Y493 L501 | L369-F434 HydrophobicContact CD1-CE1 3.99Å; L369-F434 HydrophobicContact CD2-CE1 4.02Å; L369-F434 HydrophobicContact CD2-CZ 4.49Å; L369-F434 HydrophobicContact CG-CE1 3.96Å; L369-F434 HydrophobicContact CG-CZ 4.48Å; R376-F434 HydrophobicContact CB-CD1 3.58Å; R376-F434 HydrophobicContact CB-CE1 3.88Å; R376-F434 HydrophobicContact CB-CG 4.24Å; R376-F434 HydrophobicContact CG-CD1 3.93Å; R376-F434 HydrophobicContact CG-CE1 3.68Å; R376-F434 HydrophobicContact CG-CZ 4.29Å; I426-F434 HydrophobicContact CB-CZ 4.31Å; I426-F434 HydrophobicContact CG2-CE2 3.93Å; I426-F434 HydrophobicContact CG2-CZ 3.65Å; R427-F434 HydrophobicContact CB-CD2 4.12Å; R427-F434 HydrophobicContact CB-CE2 4.31Å; R427-F434 HydrophobicContact CG-CB 4.24Å; R427-F434 HydrophobicContact CG-CD2 3.93Å; R427-F434 HydrophobicContact CG-CG 4.14Å; F430-F434 HydrophobicContact CB-CE2 4.29Å; F430-F434 WeakPolarHBondContact O-CD2 3.38Å; H432-F434 PolarHBondContact O-N 3.46Å; F434-F436 VanDerWaalsContact C-N 3.28Å; F434-F436 HydrophobicContact CB-CE2 4.46Å; F434-F436 HydrophobicContact CB-CZ 4.48Å; F434-F436 AromaticContact CD1-CE1 3.77Å; F434-F436 HydrophobicContact CD1-CE1 3.77Å; F434-F436 AromaticContact CD1-CE2 3.9Å; F434-F436 HydrophobicContact CD1-CE2 3.9Å; F434-F436 AromaticContact CD1-CZ 3.36Å; F434-F436 HydrophobicContact CD1-CZ 3.36Å; F434-F436 AromaticContact CE1-CZ 3.94Å; F434-F436 HydrophobicContact CE1-CZ 3.94Å; F434-F436 HydrophobicContact CG-CE2 4.41Å; F434-F436 HydrophobicContact CG-CZ 4.25Å; F434-N490 WeakPolarHBondContact O-CB 3.18Å; F434-N490 PolarHBondContact O-ND2 3.14Å; F434-Y493 WeakPolarHBondContact O-CB 3.42Å; F434-L501 HydrophobicContact CE2-CD1 4.13Å; F434-L501 HydrophobicContact CZ-CD1 4.08Å | ||
| 435 | E | 97.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 22.6 Ų | 22.6 | 18% | 0.182 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -70.9 | -27.6 | 174.7 | -167.4 | -164.6 | 165.6 | 0 | 0 | 111.4 | R376 T377 I378 V489 N490 Y493 | R376-E435 PolarHBondContact O-N 3.35Å; T377-E435 WeakPolarHBondContact CA-OE2 3.2Å; T377-E435 VanDerWaalsContact CB-OE2 3.31Å; T377-E435 WeakPolarHBondContact CB-OE2 3.39Å; I378-E435 HydrophobicContact CD1-CG 4.04Å; I378-E435 HydrophobicContact CG1-CB 4.29Å; I378-E435 HydrophobicContact CG1-CG 4.23Å; I378-E435 PolarHBondContact N-OE2 2.83Å; E435-V489 CarbonylContact O-C 3.2Å; E435-V489 WeakPolarHBondContact O-CA 3.38Å; E435-N490 WeakPolarHBondContact O-CB 3.43Å; E435-N490 PolarHBondContact O-N 3.32Å; E435-Y493 HydrophobicContact CB-CD1 3.64Å; E435-Y493 HydrophobicContact CB-CD2 4.47Å; E435-Y493 HydrophobicContact CB-CE1 3.76Å; E435-Y493 HydrophobicContact CB-CG 4.03Å; E435-Y493 HydrophobicContact CG-CD1 3.83Å; E435-Y493 HydrophobicContact CG-CE1 4.13Å |
| 436 | F | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -90.2 | 143.5 | 177.4 | 56.4 | -96.5 | 0 | 0 | 0 | 113 | I378 F381 V423 R427 F434 F440 L441 I488 | I378-F436 HydrophobicContact CD1-CB 4.42Å; I378-F436 HydrophobicContact CG1-CB 3.84Å; F381-F436 HydrophobicContact CB-CD1 4.2Å; F381-F436 HydrophobicContact CB-CE1 3.76Å; F381-F436 HydrophobicContact CD2-CD1 4.42Å; F381-F436 AromaticContact CD2-CE1 3.37Å; F381-F436 HydrophobicContact CD2-CE1 3.37Å; F381-F436 AromaticContact CD2-CZ 3.43Å; F381-F436 HydrophobicContact CD2-CZ 3.43Å; F381-F436 VanDerWaalsContact CD2-CZ 3.43Å; F381-F436 HydrophobicContact CE2-CE1 4.06Å; F381-F436 HydrophobicContact CE2-CE2 4.45Å; F381-F436 AromaticContact CE2-CZ 3.62Å; F381-F436 HydrophobicContact CE2-CZ 3.62Å; F381-F436 HydrophobicContact CG-CD1 4.32Å; F381-F436 AromaticContact CG-CE1 3.65Å; F381-F436 HydrophobicContact CG-CE1 3.65Å; F381-F436 HydrophobicContact CG-CZ 4.07Å; F381-F436 HydrophobicContact CZ-CZ 4.39Å; V423-F436 HydrophobicContact CG1-CE2 3.84Å; V423-F436 HydrophobicContact CG1-CZ 3.95Å; R427-F436 PolarHBondContact NE-O 3Å; F434-F436 VanDerWaalsContact C-N 3.28Å; F434-F436 HydrophobicContact CB-CE2 4.46Å; F434-F436 HydrophobicContact CB-CZ 4.48Å; F434-F436 AromaticContact CD1-CE1 3.77Å; F434-F436 HydrophobicContact CD1-CE1 3.77Å; F434-F436 AromaticContact CD1-CE2 3.9Å; F434-F436 HydrophobicContact CD1-CE2 3.9Å; F434-F436 AromaticContact CD1-CZ 3.36Å; F434-F436 HydrophobicContact CD1-CZ 3.36Å; F434-F436 AromaticContact CE1-CZ 3.94Å; F434-F436 HydrophobicContact CE1-CZ 3.94Å; F434-F436 HydrophobicContact CG-CE2 4.41Å; F434-F436 HydrophobicContact CG-CZ 4.25Å; F436-F440 HydrophobicContact CB-CB 3.73Å; F436-F440 HydrophobicContact CB-CD1 3.7Å; F436-F440 HydrophobicContact CB-CD2 4.06Å; F436-F440 HydrophobicContact CB-CE1 4.27Å; F436-F440 HydrophobicContact CB-CG 3.58Å; F436-F440 HydrophobicContact CD1-CD1 4.42Å; F436-F440 HydrophobicContact CD1-CE1 4.31Å; F436-F440 AromaticContact CD2-CD1 3.88Å; F436-F440 HydrophobicContact CD2-CD1 3.88Å; F436-F440 HydrophobicContact CD2-CE1 4.42Å; F436-F440 AromaticContact CG-CD1 3.76Å; F436-F440 HydrophobicContact CG-CD1 3.76Å; F436-F440 HydrophobicContact CG-CE1 4.1Å; F436-F440 HydrophobicContact CG-CG 4.19Å; F436-L441 HydrophobicContact CD2-CD1 4.47Å; F436-L441 HydrophobicContact CD2-CD2 4.17Å; F436-L441 HydrophobicContact CD2-CG 4.15Å; F436-L441 HydrophobicContact CE2-CD1 4.21Å; F436-L441 HydrophobicContact CE2-CD2 3.86Å; F436-L441 HydrophobicContact CE2-CG 4.16Å; F436-I488 CarbonylContact C-O 3.53Å; F436-I488 WeakPolarHBondContact CA-O 3.43Å |
| 437 | N | 95.3 | Very high | 94.8 | Very high | 29 Ų | 29 | 24.7 Ų | 24.7 | 16% | 0.155 | 13% | 0.125 | C | C | . | . | trans | -97.2 | -176.5 | 173.8 | 71.8 | 33.7 | 0 | 0 | 0 | 111.7 | S439 F440 T487 I488 V489 N490 | N437-S439 VanDerWaalsContact C-N 3.28Å; N437-S439 PolarHBondContact O-N 2.9Å; N437-S439 WeakPolarHBondContact OD1-CA 3.27Å; N437-S439 WeakPolarHBondContact OD1-CB 3.37Å; N437-S439 PolarHBondContact OD1-N 2.86Å; N437-S439 PolarHBondContact OD1-OG 2.97Å; N437-F440 WeakPolarHBondContact O-CB 3.41Å; N437-F440 PolarHBondContact O-N 3.32Å; N437-F440 PolarHBondContact OD1-N 3.28Å; N437-T487 PolarHBondContact ND2-O 3.06Å; N437-T487 PolarHBondContact OD1-O 3.49Å; N437-I488 VanDerWaalsContact CG-O 3.27Å; N437-I488 PolarHBondContact N-O 3.4Å; N437-I488 VanDerWaalsContact ND2-C 3.3Å; N437-I488 PolarHBondContact ND2-O 2.93Å; N437-I488 PolarHBondContact OD1-O 2.89Å; N437-V489 PolarHBondContact ND2-O 2.77Å; N437-N490 HydrophobicContact CB-CB 4.09Å | ||
| 438 | E | 94.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 23.4 Ų | 23.4 | 27% | 0.266 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -63.5 | -31.5 | 179.8 | -178.3 | 173.4 | -161.5 | 0 | 0 | 113.2 | H424 F440 L441 L442 W513 A515 | H424-E438 IonicContact CE1-OE1 2.95Å; H424-E438 PolarHBondContact CE1-OE1 3.5Å; H424-E438 IonicContact ND1-OE1 3.03Å; E438-F440 PolarHBondContact O-N 2.85Å; E438-L441 PolarHBondContact O-N 3.39Å; E438-L442 HydrophobicContact CG-CD1 4.07Å; E438-L442 HydrophobicContact CG-CG 4.03Å; E438-L442 WeakPolarHBondContact O-CG 3.44Å; E438-L442 PolarHBondContact O-N 3.2Å; E438-W513 VanDerWaalsContact OE1-CD1 3.27Å; E438-W513 PolarHBondContact OE1-NE1 2.75Å; E438-A515 WeakPolarHBondContact OE1-CB 3.31Å |
| 439 | S | 92 | Very high | 94 | Very high | 17 Ų | 17 | 21 Ų | 21 | 12% | 0.119 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -32.9 | 178.8 | 122.7 | 0 | 0 | 0 | 0 | 112 | N437 K443 T487 | N437-S439 VanDerWaalsContact C-N 3.28Å; N437-S439 PolarHBondContact O-N 2.9Å; N437-S439 WeakPolarHBondContact OD1-CA 3.27Å; N437-S439 WeakPolarHBondContact OD1-CB 3.37Å; N437-S439 PolarHBondContact OD1-N 2.86Å; N437-S439 PolarHBondContact OD1-OG 2.97Å; S439-K443 VanDerWaalsContact O-CB 3.29Å; S439-K443 WeakPolarHBondContact O-CB 3.4Å; S439-K443 WeakPolarHBondContact O-CD 3.4Å; S439-K443 WeakPolarHBondContact O-CG 3.39Å; S439-K443 PolarHBondContact O-N 2.97Å; S439-K443 PolarHBondContact OG-NZ 3.23Å; S439-T487 WeakPolarHBondContact CB-O 3.27Å; S439-T487 PolarHBondContact OG-O 3.18Å |
| 440 | F | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.8 | -50.8 | 170.4 | -178.8 | -93.2 | 0 | 0 | 0 | 111.8 | I378 F381 N382 F436 N437 E438 K443 L444 L480 I488 | I378-F440 HydrophobicContact CG1-CD2 4.46Å; I378-F440 HydrophobicContact CG1-CE2 4.28Å; I378-F440 HydrophobicContact CG2-CE2 4.08Å; F381-F440 AromaticContact CD1-CE1 3.54Å; F381-F440 HydrophobicContact CD1-CE1 3.54Å; F381-F440 AromaticContact CD1-CZ 3.9Å; F381-F440 HydrophobicContact CD1-CZ 3.9Å; F381-F440 AromaticContact CE1-CE1 3.84Å; F381-F440 HydrophobicContact CE1-CE1 3.84Å; F381-F440 HydrophobicContact CG-CE1 4.23Å; N382-F440 WeakPolarHBondContact OD1-CZ 3.27Å; F436-F440 HydrophobicContact CB-CB 3.73Å; F436-F440 HydrophobicContact CB-CD1 3.7Å; F436-F440 HydrophobicContact CB-CD2 4.06Å; F436-F440 HydrophobicContact CB-CE1 4.27Å; F436-F440 HydrophobicContact CB-CG 3.58Å; F436-F440 HydrophobicContact CD1-CD1 4.42Å; F436-F440 HydrophobicContact CD1-CE1 4.31Å; F436-F440 AromaticContact CD2-CD1 3.88Å; F436-F440 HydrophobicContact CD2-CD1 3.88Å; F436-F440 HydrophobicContact CD2-CE1 4.42Å; F436-F440 AromaticContact CG-CD1 3.76Å; F436-F440 HydrophobicContact CG-CD1 3.76Å; F436-F440 HydrophobicContact CG-CE1 4.1Å; F436-F440 HydrophobicContact CG-CG 4.19Å; N437-F440 WeakPolarHBondContact O-CB 3.41Å; N437-F440 PolarHBondContact O-N 3.32Å; N437-F440 PolarHBondContact OD1-N 3.28Å; E438-F440 PolarHBondContact O-N 2.85Å; F440-K443 PolarHBondContact O-N 2.73Å; F440-L444 HydrophobicContact CE1-CD2 4.09Å; F440-L444 WeakPolarHBondContact O-CB 3.14Å; F440-L444 PolarHBondContact O-N 3.49Å; F440-L480 HydrophobicContact CD2-CB 4.22Å; F440-L480 HydrophobicContact CD2-CD1 4.37Å; F440-L480 HydrophobicContact CD2-CD2 4.09Å; F440-L480 HydrophobicContact CD2-CG 4.47Å; F440-L480 HydrophobicContact CE2-CB 3.84Å; F440-L480 HydrophobicContact CE2-CD1 4.05Å; F440-L480 HydrophobicContact CE2-CD2 4.46Å; F440-L480 HydrophobicContact CE2-CG 4.35Å; F440-L480 HydrophobicContact CZ-CD1 4.35Å; F440-I488 HydrophobicContact CB-CB 3.93Å; F440-I488 HydrophobicContact CB-CG2 3.92Å; F440-I488 HydrophobicContact CD2-CB 4.06Å; F440-I488 HydrophobicContact CD2-CD1 3.99Å; F440-I488 HydrophobicContact CD2-CG2 4.18Å |
| 441 | L | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | -178.1 | -62.3 | 174.4 | 0 | 0 | 0 | 112 | F381 L420 V423 H424 F436 E438 G445 W513 | F381-L441 HydrophobicContact CZ-CD2 4.26Å; L420-L441 HydrophobicContact CD2-CD2 4.18Å; V423-L441 HydrophobicContact CB-CD2 4.43Å; V423-L441 HydrophobicContact CG1-CD1 4.08Å; V423-L441 HydrophobicContact CG1-CD2 3.75Å; H424-L441 HydrophobicContact CB-CD1 4.16Å; F436-L441 HydrophobicContact CD2-CD1 4.47Å; F436-L441 HydrophobicContact CD2-CD2 4.17Å; F436-L441 HydrophobicContact CD2-CG 4.15Å; F436-L441 HydrophobicContact CE2-CD1 4.21Å; F436-L441 HydrophobicContact CE2-CD2 3.86Å; F436-L441 HydrophobicContact CE2-CG 4.16Å; E438-L441 PolarHBondContact O-N 3.39Å; L441-G445 PolarHBondContact O-N 2.67Å; L441-W513 HydrophobicContact CB-CH2 3.8Å; L441-W513 HydrophobicContact CB-CZ2 3.74Å |
| 442 | L | 92.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 15.3 Ų | 15.3 | 16% | 0.162 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.7 | -52.4 | 173.2 | -66.2 | 174.7 | 0 | 0 | 0 | 111.3 | E438 L444 G445 L446 W513 A515 F516 | E438-L442 HydrophobicContact CG-CD1 4.07Å; E438-L442 HydrophobicContact CG-CG 4.03Å; E438-L442 WeakPolarHBondContact O-CG 3.44Å; E438-L442 PolarHBondContact O-N 3.2Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 2.97Å; L442-G445 PolarHBondContact O-N 3.04Å; L442-L446 WeakPolarHBondContact O-CB 3.3Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.42Å; L442-L446 PolarHBondContact O-N 3.04Å; L442-W513 HydrophobicContact CD2-CZ2 3.71Å; L442-W513 HydrophobicContact CG-CZ2 4.24Å; L442-A515 HydrophobicContact CD1-CB 4.33Å; L442-A515 HydrophobicContact CD2-CB 4.11Å; L442-F516 HydrophobicContact CD2-CB 3.79Å; L442-F516 HydrophobicContact CD2-CD2 3.82Å; L442-F516 HydrophobicContact CD2-CG 4.32Å |
| 443 | K | 89.8 | Confident | 92.5 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 4% | 0.035 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 176.7 | -74.4 | 163.9 | 174.9 | 164.6 | 0 | 110.7 | S439 F440 H447 L480 N485 T487 I488 D1034 | S439-K443 VanDerWaalsContact O-CB 3.29Å; S439-K443 WeakPolarHBondContact O-CB 3.4Å; S439-K443 WeakPolarHBondContact O-CD 3.4Å; S439-K443 WeakPolarHBondContact O-CG 3.39Å; S439-K443 PolarHBondContact O-N 2.97Å; S439-K443 PolarHBondContact OG-NZ 3.23Å; F440-K443 PolarHBondContact O-N 2.73Å; K443-H447 WeakPolarHBondContact O-CB 3.42Å; K443-H447 PolarHBondContact O-CD2 3.37Å; K443-H447 PolarHBondContact O-N 3.23Å; K443-L480 HydrophobicContact CB-CD2 3.77Å; K443-L480 HydrophobicContact CD-CD2 4.16Å; K443-N485 PolarHBondContact NZ-ND2 3.25Å; K443-N485 PolarHBondContact NZ-OD1 2.82Å; K443-N485 VanDerWaalsContact NZ-OD1 3.13Å; K443-T487 PolarHBondContact NZ-OG1 3.2Å; K443-I488 HydrophobicContact CD-CG2 3.76Å; K443-D1034 IonicContact NZ-OD2 3.36Å; K443-D1034 PolarHBondContact NZ-OD2 2.96Å |
| 444 | L | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61 | -51.7 | 177.7 | -178.2 | 58.7 | 0 | 0 | 0 | 112 | F381 L420 F440 L442 L446 H447 I448 F456 L476 W477 L480 | F381-L444 HydrophobicContact CD1-CD2 4.43Å; F381-L444 HydrophobicContact CE1-CD2 3.64Å; L420-L444 HydrophobicContact CD1-CD2 4.42Å; L420-L444 HydrophobicContact CD1-CG 4.15Å; L420-L444 HydrophobicContact CD2-CD2 3.65Å; L420-L444 HydrophobicContact CD2-CG 4.28Å; F440-L444 HydrophobicContact CE1-CD2 4.09Å; F440-L444 WeakPolarHBondContact O-CB 3.14Å; F440-L444 PolarHBondContact O-N 3.49Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 2.97Å; L444-L446 PolarHBondContact O-N 3.35Å; L444-H447 PolarHBondContact O-N 2.9Å; L444-H447 VanDerWaalsContact O-N 3.16Å; L444-I448 WeakPolarHBondContact O-CG1 3.26Å; L444-I448 PolarHBondContact O-N 3.31Å; L444-I448 VanDerWaalsContact O-N 3.1Å; L444-F456 HydrophobicContact CD1-CE2 3.78Å; L444-F456 HydrophobicContact CD1-CZ 3.76Å; L444-L476 HydrophobicContact CD1-CD2 3.57Å; L444-W477 HydrophobicContact CD1-CH2 4.12Å; L444-W477 HydrophobicContact CD1-CZ3 4.09Å; L444-L480 HydrophobicContact CB-CD1 4.06Å; L444-L480 HydrophobicContact CD1-CD1 3.98Å |
| 445 | G | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.7 | -37.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L441 L442 I448 | L441-G445 PolarHBondContact O-N 2.67Å; L442-G445 PolarHBondContact O-N 3.04Å; G445-I448 WeakPolarHBondContact O-CD1 3.47Å; G445-I448 WeakPolarHBondContact O-CG1 3.36Å |
| 446 | L | 90.2 | Very high | 91.5 | Very high | 33 Ų | 33 | 11.5 Ų | 11.5 | 17% | 0.173 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 172 | -75.2 | 169.7 | 0 | 0 | 0 | 111.2 | I67 L442 L444 I448 F516 A520 L521 | I67-L446 HydrophobicContact CD1-CD2 3.66Å; L442-L446 WeakPolarHBondContact O-CB 3.3Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.42Å; L442-L446 PolarHBondContact O-N 3.04Å; L444-L446 PolarHBondContact O-N 3.35Å; L446-I448 VanDerWaalsContact C-N 3.32Å; L446-I448 PolarHBondContact O-N 3.28Å; L446-F516 HydrophobicContact CG-CE2 4.36Å; L446-A520 HydrophobicContact CD1-CB 4.34Å; L446-A520 WeakPolarHBondContact CD1-O 3.37Å; L446-A520 HydrophobicContact CD2-CB 3.95Å; L446-A520 HydrophobicContact CG-CB 4.32Å; L446-L521 HydrophobicContact CD2-CD2 3.66Å; L446-L521 HydrophobicContact CD2-CG 4.28Å |
| 447 | H | 90.7 | Very high | 91.2 | Very high | 13 Ų | 13 | 11.5 Ų | 11.5 | 6% | 0.06 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -76.4 | -14.3 | -174.7 | -76.2 | -55.3 | 0 | 0 | 0 | 115 | K443 L444 C449 S450 F453 L476 | K443-H447 WeakPolarHBondContact O-CB 3.42Å; K443-H447 PolarHBondContact O-CD2 3.37Å; K443-H447 PolarHBondContact O-N 3.23Å; L444-H447 PolarHBondContact O-N 2.9Å; L444-H447 VanDerWaalsContact O-N 3.16Å; H447-C449 PolarHBondContact O-N 3.34Å; H447-S450 WeakPolarHBondContact CA-OG 3.48Å; H447-S450 WeakPolarHBondContact ND1-CB 3.45Å; H447-S450 PolarHBondContact ND1-OG 3.09Å; H447-S450 PolarHBondContact O-N 3.38Å; H447-S450 PolarHBondContact O-OG 3.24Å; H447-F453 HydrophobicContact CB-CD2 4.21Å; H447-F453 AromaticContact CD2-CE2 3.94Å; H447-F453 AromaticContact CE1-CE2 3.74Å; H447-F453 AromaticContact CG-CD2 3.89Å; H447-F453 AromaticContact CG-CE2 3.8Å; H447-F453 AromaticContact ND1-CD2 3.8Å; H447-F453 AromaticContact ND1-CE2 3.65Å; H447-F453 AromaticContact NE2-CE2 3.9Å; H447-L476 HydrophobicContact CB-CD1 3.66Å; H447-L476 HydrophobicContact CB-CD2 3.82Å; H447-L476 HydrophobicContact CB-CG 4.39Å |
| 448 | I | 91.7 | Very high | 91 | Very high | 7 Ų | 7 | 10.5 Ų | 10.5 | 4% | 0.036 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -43.4 | -62.3 | 167.9 | -55.8 | 168.9 | 0 | 0 | 0 | 109.7 | F396 H402 F416 L417 L420 L444 G445 L446 | F396-I448 HydrophobicContact CD1-CG2 4.39Å; H402-I448 PolarHBondContact CE1-O 2.83Å; H402-I448 PolarHBondContact NE2-O 3.12Å; F416-I448 HydrophobicContact CD1-CD1 3.54Å; F416-I448 HydrophobicContact CD1-CG1 3.76Å; F416-I448 HydrophobicContact CE1-CD1 4.12Å; F416-I448 HydrophobicContact CE1-CG1 4.01Å; L417-I448 HydrophobicContact CB-CD1 4.42Å; L420-I448 HydrophobicContact CD1-CD1 3.91Å; L444-I448 WeakPolarHBondContact O-CG1 3.26Å; L444-I448 PolarHBondContact O-N 3.31Å; L444-I448 VanDerWaalsContact O-N 3.1Å; G445-I448 WeakPolarHBondContact O-CD1 3.47Å; G445-I448 WeakPolarHBondContact O-CG1 3.36Å; L446-I448 VanDerWaalsContact C-N 3.32Å; L446-I448 PolarHBondContact O-N 3.28Å |
| 449 | C | 86.5 | Confident | 91 | Very high | 9 Ų | 9 | 8.8 Ų | 8.8 | 6% | 0.061 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -95.9 | 0.7 | -170.3 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | T48 L49 H447 N451 | T48-C449 WeakPolarHBondContact CB-O 3.3Å; T48-C449 PolarHBondContact OG1-O 2.92Å; L49-C449 HydrophobicContact CD2-CB 3.55Å; L49-C449 HydrophobicContact CG-CB 3.85Å; H447-C449 PolarHBondContact O-N 3.34Å; C449-N451 PolarHBondContact O-N 3.02Å |
| 450 | S | 87.4 | Confident | 91.1 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.007 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -71 | -26.3 | -166.6 | 66.7 | 0 | 0 | 0 | 0 | 115.2 | Y30 T48 H447 L452 | Y30-S450 WeakPolarHBondContact CE2-O 3.38Å; T48-S450 PolarHBondContact OG1-O 2.87Å; H447-S450 WeakPolarHBondContact CA-OG 3.48Å; H447-S450 WeakPolarHBondContact ND1-CB 3.45Å; H447-S450 PolarHBondContact ND1-OG 3.09Å; H447-S450 PolarHBondContact O-N 3.38Å; H447-S450 PolarHBondContact O-OG 3.24Å; S450-L452 PolarHBondContact O-N 3.44Å; S450-L452 PolarHBondContact OG-N 2.74Å |
| 451 | N | 87.1 | Confident | 91 | Very high | 3 Ų | 3 | 8.2 Ų | 8.2 | 2% | 0.016 | 4% | 0.044 | C | C | . | . | S | Bend | trans | 52.4 | 26.9 | -168.9 | -72.4 | -13.6 | 0 | 0 | 0 | 115 | T48 L101 A103 H402 C449 L457 | T48-N451 HydrophobicContact CG2-CB 4.04Å; T48-N451 WeakPolarHBondContact CG2-ND2 3.33Å; L101-N451 WeakPolarHBondContact CD2-ND2 3.3Å; A103-N451 WeakPolarHBondContact CB-O 3.45Å; A103-N451 PolarHBondContact N-O 3.26Å; H402-N451 PolarHBondContact CE1-OD1 3Å; H402-N451 PolarHBondContact ND1-OD1 3.31Å; C449-N451 PolarHBondContact O-N 3.02Å; N451-L457 WeakPolarHBondContact OD1-CD2 3.29Å |
| 452 | L | 88.7 | Confident | 90.8 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -84.1 | -29.7 | 166.7 | -177.4 | 57.7 | 0 | 0 | 0 | 112.6 | L9 Y30 F102 F106 S450 L1029 | L9-L452 HydrophobicContact CD1-CD1 3.58Å; L9-L452 HydrophobicContact CD1-CD2 4.42Å; Y30-L452 HydrophobicContact CE2-CB 4.02Å; F102-L452 HydrophobicContact CD1-CD1 3.84Å; F102-L452 HydrophobicContact CE1-CD1 3.68Å; F106-L452 HydrophobicContact CB-CD1 4.26Å; F106-L452 HydrophobicContact CD1-CD1 3.64Å; F106-L452 HydrophobicContact CD1-CG 4.34Å; F106-L452 HydrophobicContact CD2-CD1 3.94Å; F106-L452 HydrophobicContact CE1-CD1 3.84Å; F106-L452 HydrophobicContact CE1-CG 4.24Å; F106-L452 HydrophobicContact CE2-CD1 4.14Å; F106-L452 HydrophobicContact CG-CD1 3.69Å; F106-L452 HydrophobicContact CZ-CD1 4.08Å; S450-L452 PolarHBondContact O-N 3.44Å; S450-L452 PolarHBondContact OG-N 2.74Å; L452-L1029 HydrophobicContact CD2-CD1 4.12Å |
| 453 | F | 89.1 | Confident | 90.8 | Very high | 10 Ų | 10 | 13.7 Ų | 13.7 | 4% | 0.044 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -125 | 152.9 | -176.8 | -58.3 | -75.8 | 0 | 0 | 0 | 110.9 | F106 H447 C474 L476 L479 | F106-F453 HydrophobicContact CE1-CE1 4.19Å; H447-F453 HydrophobicContact CB-CD2 4.21Å; H447-F453 AromaticContact CD2-CE2 3.94Å; H447-F453 AromaticContact CE1-CE2 3.74Å; H447-F453 AromaticContact CG-CD2 3.89Å; H447-F453 AromaticContact CG-CE2 3.8Å; H447-F453 AromaticContact ND1-CD2 3.8Å; H447-F453 AromaticContact ND1-CE2 3.65Å; H447-F453 AromaticContact NE2-CE2 3.9Å; F453-C474 VanDerWaalsContact CA-O 3.32Å; F453-C474 WeakPolarHBondContact CA-O 3.43Å; F453-C474 WeakPolarHBondContact CB-O 3.37Å; F453-C474 HydrophobicContact CD1-CB 3.99Å; F453-C474 HydrophobicContact CE1-CB 4.34Å; F453-L476 HydrophobicContact CB-CB 4.05Å; F453-L476 HydrophobicContact CD2-CB 4.11Å; F453-L476 HydrophobicContact CD2-CD1 3.6Å; F453-L476 HydrophobicContact CD2-CG 4.41Å; F453-L476 HydrophobicContact CE2-CD1 3.6Å; F453-L476 HydrophobicContact CG-CB 3.98Å; F453-L476 HydrophobicContact CG-CD1 4.29Å; F453-L476 HydrophobicContact CZ-CD1 4.3Å; F453-L479 HydrophobicContact CE1-CB 4.49Å; F453-L479 HydrophobicContact CE2-CD2 3.94Å; F453-L479 HydrophobicContact CZ-CB 3.97Å; F453-L479 HydrophobicContact CZ-CD1 4.25Å; F453-L479 HydrophobicContact CZ-CD2 3.93Å; F453-L479 HydrophobicContact CZ-CG 4.28Å |
| 454 | G | 89.1 | Confident | 90.9 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 3% | 0.031 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -79.5 | -14.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F456 L457 V469 T473 C474 | G454-F456 VanDerWaalsContact C-N 3.27Å; G454-F456 PolarHBondContact O-N 3.04Å; G454-F456 VanDerWaalsContact O-N 3.12Å; G454-L457 WeakPolarHBondContact O-CB 3.29Å; G454-L457 PolarHBondContact O-N 2.58Å; G454-V469 WeakPolarHBondContact O-CG1 3.25Å; G454-T473 VanDerWaalsContact CA-OG1 3.3Å; G454-T473 WeakPolarHBondContact CA-OG1 3.3Å; G454-C474 PolarHBondContact N-O 3.19Å |
| 455 | T | 90.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 16.4 Ų | 16.4 | 7% | 0.067 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -40 | -169.9 | -55.9 | 0 | 0 | 0 | 0 | 113.7 | L390 S475 L476 W477 | L390-T455 HydrophobicContact CD1-CG2 3.74Å; L390-T455 WeakPolarHBondContact CD1-O 3.49Å; L390-T455 WeakPolarHBondContact CD2-O 3.37Å; T455-S475 PolarHBondContact OG1-OG 3.36Å; T455-L476 HydrophobicContact CG2-CB 4.48Å; T455-L476 PolarHBondContact OG1-N 2.93Å; T455-W477 HydrophobicContact CG2-CZ2 3.97Å |
| 456 | F | 92.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.022 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 26.4 | -178.9 | -61 | -63.7 | 0 | 0 | 0 | 114.2 | V385 L390 F396 F416 L444 G454 L476 | V385-F456 HydrophobicContact CG1-CE1 3.86Å; V385-F456 HydrophobicContact CG1-CZ 4.06Å; L390-F456 HydrophobicContact CD1-CD1 4.35Å; L390-F456 HydrophobicContact CD1-CE1 4.13Å; L390-F456 HydrophobicContact CD2-CD1 4Å; L390-F456 HydrophobicContact CD2-CE1 4.46Å; L390-F456 HydrophobicContact CG-CD1 4.47Å; L390-F456 HydrophobicContact CG-CE1 4.45Å; F396-F456 WeakPolarHBondContact CB-O 3.3Å; F396-F456 HydrophobicContact CD1-CB 4.07Å; F396-F456 AromaticContact CD1-CD1 3.62Å; F396-F456 HydrophobicContact CD1-CD1 3.62Å; F396-F456 HydrophobicContact CD1-CE1 4.48Å; F396-F456 HydrophobicContact CD1-CG 4.17Å; F396-F456 HydrophobicContact CD2-CD1 4.24Å; F396-F456 AromaticContact CE1-CD1 3.32Å; F396-F456 HydrophobicContact CE1-CD1 3.32Å; F396-F456 AromaticContact CE1-CE1 3.75Å; F396-F456 HydrophobicContact CE1-CE1 3.75Å; F396-F456 HydrophobicContact CE1-CG 4.19Å; F396-F456 AromaticContact CE2-CD1 3.98Å; F396-F456 HydrophobicContact CE2-CD1 3.98Å; F396-F456 HydrophobicContact CE2-CE1 4.36Å; F396-F456 HydrophobicContact CG-CB 4.32Å; F396-F456 HydrophobicContact CG-CD1 4.07Å; F396-F456 AromaticContact CZ-CD1 3.52Å; F396-F456 HydrophobicContact CZ-CD1 3.52Å; F396-F456 AromaticContact CZ-CE1 3.67Å; F396-F456 HydrophobicContact CZ-CE1 3.67Å; F416-F456 HydrophobicContact CD1-CE1 4.49Å; F416-F456 AromaticContact CE1-CE1 3.81Å; F416-F456 HydrophobicContact CE1-CE1 3.81Å; F416-F456 AromaticContact CE1-CZ 3.75Å; F416-F456 HydrophobicContact CE1-CZ 3.75Å; F416-F456 HydrophobicContact CZ-CE1 4.1Å; F416-F456 HydrophobicContact CZ-CZ 4.12Å; L444-F456 HydrophobicContact CD1-CE2 3.78Å; L444-F456 HydrophobicContact CD1-CZ 3.76Å; G454-F456 VanDerWaalsContact C-N 3.27Å; G454-F456 PolarHBondContact O-N 3.04Å; G454-F456 VanDerWaalsContact O-N 3.12Å; F456-L476 HydrophobicContact CD2-CD2 4.4Å; F456-L476 HydrophobicContact CE2-CD2 3.67Å |
| 457 | L | 90.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -88.2 | 158 | 173.6 | -60.2 | -176.5 | 0 | 0 | 0 | 112.5 | L101 N451 G454 R464 V469 T473 | L101-L457 HydrophobicContact CD1-CD1 3.82Å; L101-L457 HydrophobicContact CD1-CD2 3.61Å; L101-L457 HydrophobicContact CD1-CG 4.39Å; N451-L457 WeakPolarHBondContact OD1-CD2 3.29Å; G454-L457 WeakPolarHBondContact O-CB 3.29Å; G454-L457 PolarHBondContact O-N 2.58Å; L457-R464 WeakPolarHBondContact O-CD 3.36Å; L457-R464 WeakPolarHBondContact O-CG 3.39Å; L457-V469 HydrophobicContact CB-CG1 4.42Å; L457-V469 HydrophobicContact CD1-CG1 4.27Å; L457-T473 HydrophobicContact CD1-CG2 4.47Å | ||
| 458 | C | 91.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.054 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 61.2 | -173.7 | -176.9 | -49 | 0 | 0 | 0 | 0 | 113.9 | S397 E463 R464 | S397-C458 PolarHBondContact N-O 3.24Å; C458-E463 HydrophobicContact CB-CB 3.56Å; C458-R464 HydrophobicContact CB-CG 3.84Å |
| 459 | N | 93.7 | Very high | 90.4 | Very high | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -114.6 | -8.5 | 179.5 | -62.3 | -50.7 | 0 | 0 | 0 | 114 | G393 K395 S397 D398 E463 | G393-N459 CarbonylContact C-O 3.59Å; G393-N459 WeakPolarHBondContact CA-O 3.21Å; K395-N459 WeakPolarHBondContact CA-OD1 3.18Å; K395-N459 HydrophobicContact CB-CB 4.17Å; K395-N459 WeakPolarHBondContact CB-OD1 3.27Å; K395-N459 HydrophobicContact CG-CB 4.2Å; K395-N459 PolarHBondContact O-OD1 3.5Å; S397-N459 WeakPolarHBondContact CB-OD1 3.14Å; S397-N459 PolarHBondContact N-OD1 2.85Å; S397-N459 VanDerWaalsContact N-OD1 3.12Å; D398-N459 VanDerWaalsContact CG-ND2 3.3Å; D398-N459 PolarHBondContact N-OD1 2.86Å; D398-N459 PolarHBondContact OD1-ND2 3.36Å; D398-N459 PolarHBondContact OD1-OD1 3.49Å; N459-E463 WeakPolarHBondContact CB-OE2 3.46Å; N459-E463 PolarHBondContact N-OE2 2.97Å |
| 460 | S | 94 | Very high | 90.2 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -152.7 | 161.6 | -178.3 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | K462 E463 R464 | S460-K462 VanDerWaalsContact C-N 3.3Å; S460-K462 PolarHBondContact O-N 3.15Å; S460-E463 WeakPolarHBondContact CB-OE1 3.47Å; S460-E463 PolarHBondContact N-OE1 3.4Å; S460-E463 PolarHBondContact O-N 3.42Å; S460-E463 VanDerWaalsContact OG-CG 3.26Å; S460-E463 WeakPolarHBondContact OG-CG 3.36Å; S460-E463 PolarHBondContact OG-N 3.5Å; S460-E463 PolarHBondContact OG-OE1 2.89Å; S460-R464 PolarHBondContact O-N 3.45Å |
| 461 | E | 92.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54 | -46.5 | 169.9 | -170.5 | 175.8 | -69.3 | 0 | 0 | 111.5 | F163 P170 R171 Q391 E463 R464 Q465 | F163-E461 HydrophobicContact CE1-CB 3.99Å; F163-E461 HydrophobicContact CE1-CG 3.99Å; F163-E461 VanDerWaalsContact CE1-OE2 3.27Å; F163-E461 WeakPolarHBondContact CE1-OE2 3.36Å; F163-E461 HydrophobicContact CZ-CB 4.25Å; F163-E461 HydrophobicContact CZ-CG 3.89Å; F163-E461 WeakPolarHBondContact CZ-OE2 3.39Å; P170-E461 VanDerWaalsContact CA-OE2 3.25Å; P170-E461 WeakPolarHBondContact CA-OE2 3.48Å; R171-E461 WeakPolarHBondContact CG-OE2 3.16Å; R171-E461 PolarHBondContact N-OE2 2.77Å; Q391-E461 WeakPolarHBondContact CA-OE1 3.29Å; Q391-E461 WeakPolarHBondContact CB-OE1 3.39Å; Q391-E461 WeakPolarHBondContact CG-OE1 3.46Å; Q391-E461 PolarHBondContact NE2-OE1 3.21Å; E461-E463 VanDerWaalsContact C-N 3.32Å; E461-E463 PolarHBondContact O-N 2.97Å; E461-R464 PolarHBondContact O-N 2.84Å; E461-Q465 WeakPolarHBondContact O-CB 3.47Å; E461-Q465 WeakPolarHBondContact O-CG 3.44Å; E461-Q465 PolarHBondContact O-N 2.85Å |
| 462 | K | 93.7 | Very high | 89.9 | Confident | 79 Ų | 79 | 35.3 Ų | 35.3 | 34% | 0.343 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.9 | -43.2 | 175.6 | -169.1 | 178.9 | -160.2 | 161 | 0 | 112.8 | F163 S460 K466 | F163-K462 HydrophobicContact CB-CB 4.28Å; F163-K462 HydrophobicContact CB-CD 3.52Å; F163-K462 HydrophobicContact CB-CG 3.99Å; F163-K462 HydrophobicContact CD1-CB 3.98Å; F163-K462 HydrophobicContact CD2-CB 3.95Å; F163-K462 HydrophobicContact CD2-CD 4.24Å; F163-K462 HydrophobicContact CD2-CG 3.75Å; F163-K462 HydrophobicContact CE1-CB 4.22Å; F163-K462 HydrophobicContact CE2-CB 4.19Å; F163-K462 HydrophobicContact CE2-CG 4.31Å; F163-K462 HydrophobicContact CG-CB 3.82Å; F163-K462 HydrophobicContact CG-CD 3.97Å; F163-K462 HydrophobicContact CG-CG 3.86Å; F163-K462 HydrophobicContact CZ-CB 4.31Å; F163-K462 PolarHBondContact O-NZ 3.5Å; S460-K462 VanDerWaalsContact C-N 3.3Å; S460-K462 PolarHBondContact O-N 3.15Å; K462-K466 VanDerWaalsContact O-CB 3.28Å; K462-K466 WeakPolarHBondContact O-CB 3.48Å; K462-K466 PolarHBondContact O-N 2.71Å |
| 463 | E | 92.7 | Very high | 89.8 | Confident | 68 Ų | 68 | 35.3 Ų | 35.3 | 32% | 0.318 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -72.8 | -41.5 | 178.1 | -71.6 | 155.5 | -119.4 | 0 | 0 | 112.8 | C458 N459 S460 E461 Q465 K466 A467 | C458-E463 HydrophobicContact CB-CB 3.56Å; N459-E463 WeakPolarHBondContact CB-OE2 3.46Å; N459-E463 PolarHBondContact N-OE2 2.97Å; S460-E463 WeakPolarHBondContact CB-OE1 3.47Å; S460-E463 PolarHBondContact N-OE1 3.4Å; S460-E463 PolarHBondContact O-N 3.42Å; S460-E463 VanDerWaalsContact OG-CG 3.26Å; S460-E463 WeakPolarHBondContact OG-CG 3.36Å; S460-E463 PolarHBondContact OG-N 3.5Å; S460-E463 PolarHBondContact OG-OE1 2.89Å; E461-E463 VanDerWaalsContact C-N 3.32Å; E461-E463 PolarHBondContact O-N 2.97Å; E463-Q465 VanDerWaalsContact C-N 3.29Å; E463-Q465 PolarHBondContact O-N 3.41Å; E463-K466 PolarHBondContact O-N 3.01Å; E463-A467 WeakPolarHBondContact O-CB 3.49Å; E463-A467 PolarHBondContact O-N 2.78Å |
| 464 | R | 91.1 | Very high | 89.6 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 176.5 | -70.8 | -169 | -59 | -79.9 | -5.3 | 111.5 | L390 L457 C458 S460 E461 S468 V469 | L390-R464 PolarHBondContact O-NH1 2.88Å; L390-R464 PolarHBondContact O-NH2 3Å; L457-R464 WeakPolarHBondContact O-CD 3.36Å; L457-R464 WeakPolarHBondContact O-CG 3.39Å; C458-R464 HydrophobicContact CB-CG 3.84Å; S460-R464 PolarHBondContact O-N 3.45Å; E461-R464 PolarHBondContact O-N 2.84Å; R464-S468 PolarHBondContact O-N 3.27Å; R464-V469 HydrophobicContact CB-CB 4.31Å; R464-V469 HydrophobicContact CB-CG2 4.23Å; R464-V469 HydrophobicContact CG-CG2 4.35Å; R464-V469 PolarHBondContact O-N 3.04Å |
| 465 | Q | 89.5 | Confident | 89.4 | Confident | 38 Ų | 38 | 36.1 Ų | 36.1 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.3 | -45.5 | 174.2 | -70.7 | 176.4 | 2.9 | 0 | 0 | 111.7 | D137 F163 E461 E463 A467 S468 | D137-Q465 PolarHBondContact OD2-NE2 2.93Å; F163-Q465 VanDerWaalsContact CE2-OE1 3.31Å; E461-Q465 WeakPolarHBondContact O-CB 3.47Å; E461-Q465 WeakPolarHBondContact O-CG 3.44Å; E461-Q465 PolarHBondContact O-N 2.85Å; E463-Q465 VanDerWaalsContact C-N 3.29Å; E463-Q465 PolarHBondContact O-N 3.41Å; Q465-A467 VanDerWaalsContact C-N 3.3Å; Q465-A467 PolarHBondContact O-N 3.45Å; Q465-S468 PolarHBondContact O-N 3.17Å; Q465-S468 VanDerWaalsContact O-N 3.09Å |
| 466 | K | 90.7 | Very high | 89.3 | Confident | 191 Ų | 191 | 35.6 Ų | 35.6 | 83% | 0.83 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.8 | -36.8 | 176.4 | -176 | -175.8 | 175.1 | -170.5 | 0 | 113 | K462 E463 S468 | K462-K466 VanDerWaalsContact O-CB 3.28Å; K462-K466 WeakPolarHBondContact O-CB 3.48Å; K462-K466 PolarHBondContact O-N 2.71Å; E463-K466 PolarHBondContact O-N 3.01Å; K466-S468 VanDerWaalsContact C-N 3.33Å |
| 467 | A | 89.4 | Confident | 89 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 0.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | I98 E463 Q465 V469 R472 | I98-A467 HydrophobicContact CD1-CB 3.5Å; I98-A467 VanDerWaalsContact CD1-CB 3.5Å; E463-A467 WeakPolarHBondContact O-CB 3.49Å; E463-A467 PolarHBondContact O-N 2.78Å; Q465-A467 VanDerWaalsContact C-N 3.3Å; Q465-A467 PolarHBondContact O-N 3.45Å; A467-V469 VanDerWaalsContact C-N 3.3Å; A467-V469 HydrophobicContact CB-CG2 4.02Å; A467-V469 PolarHBondContact O-N 3.2Å; A467-R472 WeakPolarHBondContact O-CD 3.22Å; A467-R472 PolarHBondContact O-NH1 2.86Å |
| 468 | S | 89.3 | Confident | 88.5 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 40% | 0.399 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.9 | -177 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | R464 Q465 K466 A470 S471 R472 | R464-S468 PolarHBondContact O-N 3.27Å; Q465-S468 PolarHBondContact O-N 3.17Å; Q465-S468 VanDerWaalsContact O-N 3.09Å; K466-S468 VanDerWaalsContact C-N 3.33Å; S468-A470 VanDerWaalsContact C-N 3.3Å; S468-A470 PolarHBondContact O-N 2.65Å; S468-S471 PolarHBondContact O-N 2.84Å; S468-S471 PolarHBondContact O-OG 3.35Å; S468-R472 WeakPolarHBondContact O-CB 3.36Å; S468-R472 WeakPolarHBondContact O-CG 3.5Å; S468-R472 PolarHBondContact O-N 3Å |
| 469 | V | 88.4 | Confident | 88 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | -171.6 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | G454 L457 R464 A467 S471 R472 T473 | G454-V469 WeakPolarHBondContact O-CG1 3.25Å; L457-V469 HydrophobicContact CB-CG1 4.42Å; L457-V469 HydrophobicContact CD1-CG1 4.27Å; R464-V469 HydrophobicContact CB-CB 4.31Å; R464-V469 HydrophobicContact CB-CG2 4.23Å; R464-V469 HydrophobicContact CG-CG2 4.35Å; R464-V469 PolarHBondContact O-N 3.04Å; A467-V469 VanDerWaalsContact C-N 3.3Å; A467-V469 HydrophobicContact CB-CG2 4.02Å; A467-V469 PolarHBondContact O-N 3.2Å; V469-S471 PolarHBondContact O-N 3.22Å; V469-R472 PolarHBondContact O-N 3.39Å; V469-T473 HydrophobicContact CG1-CG2 4.26Å; V469-T473 WeakPolarHBondContact O-CB 3Å; V469-T473 PolarHBondContact O-N 3.36Å; V469-T473 VanDerWaalsContact O-N 3.11Å; V469-T473 PolarHBondContact O-OG1 3.13Å |
| 470 | A | 82.4 | Confident | 87.7 | Confident | 39 Ų | 39 | 35.8 Ų | 35.8 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.4 | -42.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S468 | S468-A470 VanDerWaalsContact C-N 3.3Å; S468-A470 PolarHBondContact O-N 2.65Å |
| 471 | S | 82.1 | Confident | 87.1 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 53% | 0.531 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -80.9 | -16.2 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | S468 V469 | S468-S471 PolarHBondContact O-N 2.84Å; S468-S471 PolarHBondContact O-OG 3.35Å; V469-S471 PolarHBondContact O-N 3.22Å |
| 472 | R | 86.9 | Confident | 86.5 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 28% | 0.275 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -104 | -6.2 | -173.7 | -65.1 | 178.8 | 65.6 | -155.6 | -1.5 | 114.9 | D99 C104 R107 A467 S468 V469 | D99-R472 IonicContact OD1-CZ 3.21Å; D99-R472 IonicContact OD1-NH1 3.74Å; D99-R472 PolarHBondContact OD1-NH1 2.67Å; D99-R472 IonicContact OD1-NH2 3.73Å; D99-R472 PolarHBondContact OD1-NH2 2.76Å; D99-R472 IonicContact OD2-NH2 3.91Å; D99-R472 PolarHBondContact OD2-NH2 3.35Å; C104-R472 WeakPolarHBondContact CA-O 3.37Å; R107-R472 WeakPolarHBondContact CG-O 3.36Å; A467-R472 WeakPolarHBondContact O-CD 3.22Å; A467-R472 PolarHBondContact O-NH1 2.86Å; S468-R472 WeakPolarHBondContact O-CB 3.36Å; S468-R472 WeakPolarHBondContact O-CG 3.5Å; S468-R472 PolarHBondContact O-N 3Å; V469-R472 PolarHBondContact O-N 3.39Å |
| 473 | T | 87.2 | Confident | 85.5 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -136.3 | -179.3 | -176.3 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | A103 R107 G454 L457 V469 | A103-T473 HydrophobicContact CB-CG2 3.85Å; R107-T473 WeakPolarHBondContact CD-O 3.43Å; R107-T473 PolarHBondContact NH1-O 3.09Å; G454-T473 VanDerWaalsContact CA-OG1 3.3Å; G454-T473 WeakPolarHBondContact CA-OG1 3.3Å; L457-T473 HydrophobicContact CD1-CG2 4.47Å; V469-T473 HydrophobicContact CG1-CG2 4.26Å; V469-T473 WeakPolarHBondContact O-CB 3Å; V469-T473 PolarHBondContact O-N 3.36Å; V469-T473 VanDerWaalsContact O-N 3.11Å; V469-T473 PolarHBondContact O-OG1 3.13Å |
| 474 | C | 84.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | trans | -101.2 | 149.6 | 164.8 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | F106 L110 F453 G454 | F106-C474 HydrophobicContact CD1-CB 4.3Å; F106-C474 HydrophobicContact CE1-CB 4.12Å; L110-C474 VanDerWaalsContact CD1-SG 3.57Å; F453-C474 VanDerWaalsContact CA-O 3.32Å; F453-C474 WeakPolarHBondContact CA-O 3.43Å; F453-C474 WeakPolarHBondContact CB-O 3.37Å; F453-C474 HydrophobicContact CD1-CB 3.99Å; F453-C474 HydrophobicContact CE1-CB 4.34Å; G454-C474 PolarHBondContact N-O 3.19Å | ||
| 475 | S | 85 | Confident | 83.7 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | trans | -87.5 | 137.5 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | T455 W477 G478 | T455-S475 PolarHBondContact OG1-OG 3.36Å; S475-W477 PolarHBondContact O-N 2.9Å; S475-W477 PolarHBondContact OG-N 2.98Å; S475-G478 PolarHBondContact O-N 3.45Å | ||
| 476 | L | 87.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -27.7 | 174.8 | 178 | 62.5 | 0 | 0 | 0 | 112.2 | L444 H447 F453 T455 F456 G478 L479 L480 | L444-L476 HydrophobicContact CD1-CD2 3.57Å; H447-L476 HydrophobicContact CB-CD1 3.66Å; H447-L476 HydrophobicContact CB-CD2 3.82Å; H447-L476 HydrophobicContact CB-CG 4.39Å; F453-L476 HydrophobicContact CB-CB 4.05Å; F453-L476 HydrophobicContact CD2-CB 4.11Å; F453-L476 HydrophobicContact CD2-CD1 3.6Å; F453-L476 HydrophobicContact CD2-CG 4.41Å; F453-L476 HydrophobicContact CE2-CD1 3.6Å; F453-L476 HydrophobicContact CG-CB 3.98Å; F453-L476 HydrophobicContact CG-CD1 4.29Å; F453-L476 HydrophobicContact CZ-CD1 4.3Å; T455-L476 HydrophobicContact CG2-CB 4.48Å; T455-L476 PolarHBondContact OG1-N 2.93Å; F456-L476 HydrophobicContact CD2-CD2 4.4Å; F456-L476 HydrophobicContact CE2-CD2 3.67Å; L476-G478 PolarHBondContact O-N 3.41Å; L476-G478 VanDerWaalsContact O-N 3.16Å; L476-L479 HydrophobicContact CD1-CB 4.21Å; L476-L479 HydrophobicContact CD1-CD2 3.87Å; L476-L479 WeakPolarHBondContact O-CB 3.45Å; L476-L479 PolarHBondContact O-N 2.98Å; L476-L480 HydrophobicContact CD1-CD1 4.18Å; L476-L480 HydrophobicContact CD1-CG 4.1Å; L476-L480 HydrophobicContact CD2-CD1 3.93Å; L476-L480 HydrophobicContact CG-CD1 3.75Å; L476-L480 HydrophobicContact CG-CG 4.04Å; L476-L480 PolarHBondContact O-N 3.24Å |
| 477 | W | 87.5 | Confident | 83 | Confident | 18 Ų | 18 | 34.3 Ų | 34.3 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.1 | -14.3 | -180 | -49.7 | 131 | 0 | 0 | 0 | 113.9 | Q128 N382 V385 E386 L444 T455 S475 L480 S481 | Q128-W477 PolarHBondContact NE2-O 3.08Å; N382-W477 HydrophobicContact CB-CD2 3.93Å; N382-W477 HydrophobicContact CB-CE3 3.87Å; N382-W477 HydrophobicContact CB-CG 4.45Å; N382-W477 HydrophobicContact CB-CH2 4.41Å; N382-W477 HydrophobicContact CB-CZ2 4.47Å; N382-W477 HydrophobicContact CB-CZ3 4.12Å; N382-W477 WeakPolarHBondContact OD1-CZ3 3.28Å; V385-W477 HydrophobicContact CB-CH2 3.86Å; V385-W477 HydrophobicContact CB-CZ2 4.02Å; V385-W477 HydrophobicContact CG1-CH2 3.85Å; V385-W477 HydrophobicContact CG1-CZ2 3.88Å; V385-W477 HydrophobicContact CG2-CH2 4.32Å; E386-W477 HydrophobicContact CG-CZ2 4.33Å; E386-W477 PolarHBondContact OE1-NE1 3.13Å; L444-W477 HydrophobicContact CD1-CH2 4.12Å; L444-W477 HydrophobicContact CD1-CZ3 4.09Å; T455-W477 HydrophobicContact CG2-CZ2 3.97Å; S475-W477 PolarHBondContact O-N 2.9Å; S475-W477 PolarHBondContact OG-N 2.98Å; W477-L480 HydrophobicContact CE3-CB 4.37Å; W477-L480 HydrophobicContact CE3-CD1 4.13Å; W477-L480 HydrophobicContact CZ3-CD1 4Å; W477-S481 WeakPolarHBondContact O-CB 3.09Å; W477-S481 PolarHBondContact O-N 3.14Å |
| 478 | G | 78.9 | Confident | 83 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.1 | -49.8 | 166 | 0 | 0 | 0 | 0 | 0 | 112.1 | L126 S475 L476 L480 S481 | L126-G478 CarbonylContact O-C 3.54Å; L126-G478 VanDerWaalsContact O-C 3.25Å; L126-G478 WeakPolarHBondContact O-CA 3.07Å; S475-G478 PolarHBondContact O-N 3.45Å; L476-G478 PolarHBondContact O-N 3.41Å; L476-G478 VanDerWaalsContact O-N 3.16Å; G478-L480 VanDerWaalsContact C-N 3.27Å; G478-L480 PolarHBondContact O-N 3.46Å; G478-S481 WeakPolarHBondContact O-CB 3.44Å; G478-S481 PolarHBondContact O-N 2.9Å |
| 479 | L | 81.2 | Confident | 83.2 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 174.9 | -165.9 | 82.2 | 0 | 0 | 0 | 111.9 | F453 L476 N485 L1030 | F453-L479 HydrophobicContact CE1-CB 4.49Å; F453-L479 HydrophobicContact CE2-CD2 3.94Å; F453-L479 HydrophobicContact CZ-CB 3.97Å; F453-L479 HydrophobicContact CZ-CD1 4.25Å; F453-L479 HydrophobicContact CZ-CD2 3.93Å; F453-L479 HydrophobicContact CZ-CG 4.28Å; L476-L479 HydrophobicContact CD1-CB 4.21Å; L476-L479 HydrophobicContact CD1-CD2 3.87Å; L476-L479 WeakPolarHBondContact O-CB 3.45Å; L476-L479 PolarHBondContact O-N 2.98Å; L479-N485 VanDerWaalsContact O-CB 3.25Å; L479-N485 WeakPolarHBondContact O-CB 3.43Å; L479-L1030 HydrophobicContact CD1-CD2 3.6Å; L479-L1030 HydrophobicContact CD1-CG 4.23Å; L479-L1030 HydrophobicContact CG-CD2 4.19Å |
| 480 | L | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 23.5 | -178.2 | -61.2 | -175.7 | 0 | 0 | 0 | 114 | I378 F440 K443 L444 L476 W477 G478 I488 | I378-L480 WeakPolarHBondContact CG2-O 3.38Å; F440-L480 HydrophobicContact CD2-CB 4.22Å; F440-L480 HydrophobicContact CD2-CD1 4.37Å; F440-L480 HydrophobicContact CD2-CD2 4.09Å; F440-L480 HydrophobicContact CD2-CG 4.47Å; F440-L480 HydrophobicContact CE2-CB 3.84Å; F440-L480 HydrophobicContact CE2-CD1 4.05Å; F440-L480 HydrophobicContact CE2-CD2 4.46Å; F440-L480 HydrophobicContact CE2-CG 4.35Å; F440-L480 HydrophobicContact CZ-CD1 4.35Å; K443-L480 HydrophobicContact CB-CD2 3.77Å; K443-L480 HydrophobicContact CD-CD2 4.16Å; L444-L480 HydrophobicContact CB-CD1 4.06Å; L444-L480 HydrophobicContact CD1-CD1 3.98Å; L476-L480 HydrophobicContact CD1-CD1 4.18Å; L476-L480 HydrophobicContact CD1-CG 4.1Å; L476-L480 HydrophobicContact CD2-CD1 3.93Å; L476-L480 HydrophobicContact CG-CD1 3.75Å; L476-L480 HydrophobicContact CG-CG 4.04Å; L476-L480 PolarHBondContact O-N 3.24Å; W477-L480 HydrophobicContact CE3-CB 4.37Å; W477-L480 HydrophobicContact CE3-CD1 4.13Å; W477-L480 HydrophobicContact CZ3-CD1 4Å; G478-L480 VanDerWaalsContact C-N 3.27Å; G478-L480 PolarHBondContact O-N 3.46Å; L480-I488 HydrophobicContact CD2-CG2 4.16Å; L480-I488 WeakPolarHBondContact O-CD1 3.43Å |
| 481 | S | 81.6 | Confident | 83.9 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | trans | -92.9 | 123.7 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | W477 G478 K483 Y484 N485 | W477-S481 WeakPolarHBondContact O-CB 3.09Å; W477-S481 PolarHBondContact O-N 3.14Å; G478-S481 WeakPolarHBondContact O-CB 3.44Å; G478-S481 PolarHBondContact O-N 2.9Å; S481-K483 PolarHBondContact O-N 2.88Å; S481-K483 VanDerWaalsContact O-N 3.12Å; S481-Y484 PolarHBondContact O-N 2.84Å; S481-N485 PolarHBondContact O-N 2.77Å | ||
| 482 | S | 81 | Confident | 84.3 | Confident | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.2 | 176.5 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | Y484 N485 | S482-Y484 PolarHBondContact O-N 3.3Å; S482-N485 WeakPolarHBondContact CA-O 3.21Å |
| 483 | K | 72.4 | Confident | 84.7 | Confident | 131 Ų | 131 | 40 Ų | 40 | 57% | 0.57 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.1 | 171.6 | -175.5 | -179.1 | 163.8 | -156.7 | 0 | 112.3 | E125 S481 | E125-K483 IonicContact OE2-NZ 3.4Å; E125-K483 PolarHBondContact OE2-NZ 2.93Å; S481-K483 PolarHBondContact O-N 2.88Å; S481-K483 VanDerWaalsContact O-N 3.12Å |
| 484 | Y | 71.1 | Confident | 85 | Confident | 61 Ų | 61 | 44.2 Ų | 44.2 | 24% | 0.239 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -44.1 | -171.6 | -39.5 | -74.2 | 0 | 0 | 0 | 113.8 | E125 L126 S481 S482 | E125-Y484 WeakPolarHBondContact CB-OH 3.27Å; E125-Y484 WeakPolarHBondContact O-CE2 3.33Å; E125-Y484 PolarHBondContact O-OH 2.61Å; L126-Y484 HydrophobicContact CB-CD2 4.36Å; L126-Y484 HydrophobicContact CB-CE2 4.43Å; L126-Y484 HydrophobicContact CB-CG 4.45Å; L126-Y484 HydrophobicContact CD1-CG 4.47Å; L126-Y484 HydrophobicContact CD2-CD2 3.85Å; L126-Y484 HydrophobicContact CD2-CG 3.8Å; L126-Y484 HydrophobicContact CG-CD1 3.86Å; L126-Y484 HydrophobicContact CG-CD2 3.79Å; L126-Y484 HydrophobicContact CG-CE1 4.35Å; L126-Y484 HydrophobicContact CG-CE2 4.32Å; L126-Y484 HydrophobicContact CG-CG 3.54Å; S481-Y484 PolarHBondContact O-N 2.84Å; S482-Y484 PolarHBondContact O-N 3.3Å |
| 485 | N | 74.8 | Confident | 85 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | trans | -89.9 | 108.1 | 170.9 | -166.2 | -58.4 | 0 | 0 | 0 | 108.2 | K443 L479 S481 S482 T487 I488 L1030 D1034 | K443-N485 PolarHBondContact NZ-ND2 3.25Å; K443-N485 PolarHBondContact NZ-OD1 2.82Å; K443-N485 VanDerWaalsContact NZ-OD1 3.13Å; L479-N485 VanDerWaalsContact O-CB 3.25Å; L479-N485 WeakPolarHBondContact O-CB 3.43Å; S481-N485 PolarHBondContact O-N 2.77Å; S482-N485 WeakPolarHBondContact CA-O 3.21Å; N485-T487 PolarHBondContact OD1-N 2.92Å; N485-T487 PolarHBondContact OD1-OG1 3.1Å; N485-I488 HydrophobicContact CB-CD1 4.17Å; N485-I488 HydrophobicContact CB-CG1 4.1Å; N485-I488 WeakPolarHBondContact O-CG1 3.32Å; N485-I488 WeakPolarHBondContact OD1-CG2 3.41Å; N485-I488 PolarHBondContact OD1-N 3.24Å; N485-I488 VanDerWaalsContact OD1-N 3.14Å; N485-L1030 WeakPolarHBondContact ND2-CD2 3.34Å; N485-D1034 VanDerWaalsContact CG-OD1 3.27Å; N485-D1034 VanDerWaalsContact ND2-CG 3.31Å; N485-D1034 PolarHBondContact ND2-OD1 2.93Å; N485-D1034 PolarHBondContact ND2-OD2 2.81Å; N485-D1034 PolarHBondContact OD1-OD1 3.47Å; N485-D1034 PolarHBondContact OD1-OD2 2.85Å | ||
| 486 | W | 81.6 | Confident | 84.8 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 31% | 0.311 | 25% | 0.247 | S | C | . | . | trans | -96.6 | -19 | -178.9 | 62.5 | -85.6 | 0 | 0 | 0 | 111.6 | I488 V489 Y491 E1033 D1034 A1037 | W486-I488 PolarHBondContact O-N 2.89Å; W486-V489 WeakPolarHBondContact O-CB 3.45Å; W486-V489 PolarHBondContact O-N 3.26Å; W486-Y491 HydrophobicContact CE3-CE2 4.41Å; W486-E1033 HydrophobicContact CH2-CB 4.34Å; W486-E1033 HydrophobicContact CZ2-CB 4.45Å; W486-E1033 VanDerWaalsContact CZ2-O 3.31Å; W486-E1033 WeakPolarHBondContact CZ2-O 3.41Å; W486-D1034 PolarHBondContact NE1-O 3.25Å; W486-A1037 VanDerWaalsContact CE2-CB 3.47Å; W486-A1037 HydrophobicContact CH2-CB 4.22Å; W486-A1037 HydrophobicContact CZ2-CB 3.24Å | ||
| 487 | T | 85.1 | Confident | 84.3 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.6 | 177.1 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | N437 S439 K443 N485 E1033 D1034 | N437-T487 PolarHBondContact ND2-O 3.06Å; N437-T487 PolarHBondContact OD1-O 3.49Å; S439-T487 WeakPolarHBondContact CB-O 3.27Å; S439-T487 PolarHBondContact OG-O 3.18Å; K443-T487 PolarHBondContact NZ-OG1 3.2Å; N485-T487 PolarHBondContact OD1-N 2.92Å; N485-T487 PolarHBondContact OD1-OG1 3.1Å; T487-E1033 HydrophobicContact CG2-CB 3.87Å; T487-D1034 VanDerWaalsContact CB-OD1 3.29Å; T487-D1034 WeakPolarHBondContact CB-OD1 3.47Å; T487-D1034 HydrophobicContact CG2-CB 4.33Å; T487-D1034 WeakPolarHBondContact CG2-OD1 3.32Å; T487-D1034 PolarHBondContact N-OD1 2.99Å; T487-D1034 PolarHBondContact OG1-OD1 3.13Å; T487-D1034 PolarHBondContact OG1-OD2 2.65Å |
| 488 | I | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.5 | 163.7 | 55.1 | 168.1 | 0 | 0 | 0 | 113.2 | I378 F436 N437 F440 K443 L480 N485 W486 | I378-I488 HydrophobicContact CD1-CD1 4.02Å; I378-I488 HydrophobicContact CD1-CG1 4.25Å; F436-I488 CarbonylContact C-O 3.53Å; F436-I488 WeakPolarHBondContact CA-O 3.43Å; N437-I488 VanDerWaalsContact CG-O 3.27Å; N437-I488 PolarHBondContact N-O 3.4Å; N437-I488 VanDerWaalsContact ND2-C 3.3Å; N437-I488 PolarHBondContact ND2-O 2.93Å; N437-I488 PolarHBondContact OD1-O 2.89Å; F440-I488 HydrophobicContact CB-CB 3.93Å; F440-I488 HydrophobicContact CB-CG2 3.92Å; F440-I488 HydrophobicContact CD2-CB 4.06Å; F440-I488 HydrophobicContact CD2-CD1 3.99Å; F440-I488 HydrophobicContact CD2-CG2 4.18Å; K443-I488 HydrophobicContact CD-CG2 3.76Å; L480-I488 HydrophobicContact CD2-CG2 4.16Å; L480-I488 WeakPolarHBondContact O-CD1 3.43Å; N485-I488 HydrophobicContact CB-CD1 4.17Å; N485-I488 HydrophobicContact CB-CG1 4.1Å; N485-I488 WeakPolarHBondContact O-CG1 3.32Å; N485-I488 WeakPolarHBondContact OD1-CG2 3.41Å; N485-I488 PolarHBondContact OD1-N 3.24Å; N485-I488 VanDerWaalsContact OD1-N 3.14Å; W486-I488 PolarHBondContact O-N 2.89Å |
| 489 | V | 92.2 | Very high | 84.4 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 17% | 0.17 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 139.3 | -175.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | I378 E435 N437 W486 | I378-V489 HydrophobicContact CD1-CG2 4.09Å; E435-V489 CarbonylContact O-C 3.2Å; E435-V489 WeakPolarHBondContact O-CA 3.38Å; N437-V489 PolarHBondContact ND2-O 2.77Å; W486-V489 WeakPolarHBondContact O-CB 3.45Å; W486-V489 PolarHBondContact O-N 3.26Å |
| 490 | N | 94.6 | Very high | 85.1 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | trans | -96.1 | 106.6 | 176.1 | -176.1 | 22.4 | 0 | 0 | 0 | 110.1 | P431 F434 E435 N437 F492 Y493 | P431-N490 PolarHBondContact O-ND2 2.63Å; F434-N490 WeakPolarHBondContact O-CB 3.18Å; F434-N490 PolarHBondContact O-ND2 3.14Å; E435-N490 WeakPolarHBondContact O-CB 3.43Å; E435-N490 PolarHBondContact O-N 3.32Å; N437-N490 HydrophobicContact CB-CB 4.09Å; N490-F492 PolarHBondContact O-N 3.43Å; N490-F492 VanDerWaalsContact O-N 3.1Å; N490-F492 PolarHBondContact OD1-N 3.32Å; N490-Y493 VanDerWaalsContact O-CB 3.32Å; N490-Y493 WeakPolarHBondContact O-CB 3.35Å; N490-Y493 PolarHBondContact O-N 3.41Å | ||
| 491 | Y | 91.1 | Very high | 85.7 | Confident | 155 Ų | 155 | 59.1 Ų | 59.1 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -5.8 | -179.4 | -67 | -67.5 | 0 | 0 | 0 | 114.8 | W486 | W486-Y491 HydrophobicContact CE3-CE2 4.41Š|
| 492 | F | 91.9 | Very high | 86.5 | Confident | 150 Ų | 150 | 61.8 Ų | 61.8 | 66% | 0.658 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 6.5 | 172 | -58.3 | -71.4 | 0 | 0 | 0 | 113.5 | H432 N490 E494 | H432-F492 VanDerWaalsContact CA-O 3.22Å; H432-F492 WeakPolarHBondContact CA-O 3.46Å; H432-F492 VanDerWaalsContact CB-O 3.26Å; H432-F492 WeakPolarHBondContact CB-O 3.42Å; N490-F492 PolarHBondContact O-N 3.43Å; N490-F492 VanDerWaalsContact O-N 3.1Å; N490-F492 PolarHBondContact OD1-N 3.32Å; F492-E494 PolarHBondContact O-N 3.29Å |
| 493 | Y | 95.3 | Very high | 87.3 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | trans | -67.8 | 124 | -178.8 | -179.8 | -131.3 | 0 | 0 | 0 | 112.7 | T377 H432 F434 E435 N490 P495 | T377-Y493 HydrophobicContact CG2-CE1 4.44Å; T377-Y493 WeakPolarHBondContact CG2-OH 3.46Å; H432-Y493 WeakPolarHBondContact O-CA 3.38Å; H432-Y493 WeakPolarHBondContact O-CD2 3.43Å; F434-Y493 WeakPolarHBondContact O-CB 3.42Å; E435-Y493 HydrophobicContact CB-CD1 3.64Å; E435-Y493 HydrophobicContact CB-CD2 4.47Å; E435-Y493 HydrophobicContact CB-CE1 3.76Å; E435-Y493 HydrophobicContact CB-CG 4.03Å; E435-Y493 HydrophobicContact CG-CD1 3.83Å; E435-Y493 HydrophobicContact CG-CE1 4.13Å; N490-Y493 VanDerWaalsContact O-CB 3.32Å; N490-Y493 WeakPolarHBondContact O-CB 3.35Å; N490-Y493 PolarHBondContact O-N 3.41Å; Y493-P495 HydrophobicContact CD1-CG 4.23Å; Y493-P495 HydrophobicContact CE1-CB 4.25Å; Y493-P495 HydrophobicContact CE1-CG 3.87Å | ||
| 494 | E | 93.3 | Very high | 88.5 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | trans | -111 | 108.8 | 172.6 | -66.3 | -171.2 | 133.5 | 0 | 0 | 108.8 | H432 F492 E496 A497 | H432-E494 IonicContact CD2-OE2 2.86Å; H432-E494 PolarHBondContact O-N 2.95Å; F492-E494 PolarHBondContact O-N 3.29Å; E494-E496 VanDerWaalsContact C-N 3.26Å; E494-E496 PolarHBondContact O-N 3.48Å; E494-A497 HydrophobicContact CB-CB 4.35Å; E494-A497 VanDerWaalsContact O-CB 3.32Å; E494-A497 WeakPolarHBondContact O-CB 3.43Å; E494-A497 PolarHBondContact O-N 2.91Å | ||
| 495 | P | 84.1 | Confident | 89.7 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 58% | 0.584 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.1 | -173.2 | -26.8 | 35.4 | 0 | 0 | 0 | 115.5 | Y493 | Y493-P495 HydrophobicContact CD1-CG 4.23Å; Y493-P495 HydrophobicContact CE1-CB 4.25Å; Y493-P495 HydrophobicContact CE1-CG 3.87Å |
| 496 | E | 79.6 | Confident | 90.8 | Very high | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 32 | -179.9 | -60.6 | -170.5 | -158.5 | 0 | 0 | 112.3 | E494 E1334 L1338 | E494-E496 VanDerWaalsContact C-N 3.26Å; E494-E496 PolarHBondContact O-N 3.48Å; E496-E1334 HydrophobicContact CB-CG 4.3Å; E496-L1338 VanDerWaalsContact O-CD1 3.27Å; E496-L1338 WeakPolarHBondContact O-CD1 3.02Å; E496-L1338 VanDerWaalsContact O-CD2 3.3Å; E496-L1338 WeakPolarHBondContact O-CD2 3.37Å |
| 497 | A | 78.7 | Confident | 91.4 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72 | -174.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E494 H499 | E494-A497 HydrophobicContact CB-CB 4.35Å; E494-A497 VanDerWaalsContact O-CB 3.32Å; E494-A497 WeakPolarHBondContact O-CB 3.43Å; E494-A497 PolarHBondContact O-N 2.91Å; A497-H499 PolarHBondContact O-N 3.49Å; A497-H499 VanDerWaalsContact O-N 3.08Å |
| 498 | E | 79.4 | Confident | 91.8 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | trans | -45.5 | 116.1 | -178.5 | -77.2 | -163.1 | 141.5 | 0 | 0 | 112.4 | R376 F430 L501 K1343 | R376-E498 PolarHBondContact NH1-O 3.24Å; F430-E498 WeakPolarHBondContact CE1-OE2 3.43Å; E498-L501 HydrophobicContact CB-CD2 3.71Å; E498-K1343 VanDerWaalsContact CD-NZ 3.31Å; E498-K1343 WeakPolarHBondContact OE1-CE 2.94Å; E498-K1343 IonicContact OE1-NZ 2.73Å; E498-K1343 PolarHBondContact OE1-NZ 3.16Å; E498-K1343 IonicContact OE2-NZ 2.71Å; E498-K1343 PolarHBondContact OE2-NZ 3.43Å | ||
| 499 | H | 87.9 | Confident | 92.1 | Very high | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -61.2 | -52 | -177.4 | 175.7 | 66 | 0 | 0 | 0 | 112.1 | E343 A371 P373 R376 A497 | E343-H499 IonicContact OE2-CD2 2.8Å; E343-H499 IonicContact OE2-CE1 2.89Å; E343-H499 IonicContact OE2-NE2 3.47Å; E343-H499 PolarHBondContact OE2-NE2 3.21Å; A371-H499 PolarHBondContact O-CE1 2.94Å; A371-H499 VanDerWaalsContact O-CE1 3.23Å; A371-H499 PolarHBondContact O-NE2 3.48Å; P373-H499 WeakPolarHBondContact CD-ND1 3.16Å; R376-H499 PolarHBondContact NH2-O 2.85Å; A497-H499 PolarHBondContact O-N 3.49Å; A497-H499 VanDerWaalsContact O-N 3.08Å |
| 500 | L | 96.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 68.5 Ų | 68.5 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -103.4 | 119.3 | 173.8 | 175.7 | 65.2 | 0 | 0 | 0 | 110.2 | A339 I340 E343 E344 L370 A371 Q502 | A339-L500 HydrophobicContact CB-CD1 3.7Å; I340-L500 HydrophobicContact CG1-CD2 4.2Å; E343-L500 HydrophobicContact CB-CD1 4.4Å; E343-L500 HydrophobicContact CB-CD2 4.11Å; E343-L500 HydrophobicContact CG-CD1 4.31Å; E344-L500 HydrophobicContact CG-CD2 3.7Å; L370-L500 WeakPolarHBondContact O-CA 3.49Å; A371-L500 HydrophobicContact CB-CD1 4.45Å; L500-Q502 HydrophobicContact CG-CG 4.38Å |
| 501 | L | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -90.1 | 137.3 | 174.2 | -56.8 | -177.6 | 0 | 0 | 0 | 111.1 | L370 I426 F430 C433 F434 E498 | L370-L501 HydrophobicContact CD2-CB 3.76Å; L370-L501 PolarHBondContact O-N 2.85Å; I426-L501 HydrophobicContact CG2-CD1 3.98Å; F430-L501 HydrophobicContact CB-CD1 4.2Å; F430-L501 HydrophobicContact CB-CD2 4.4Å; F430-L501 HydrophobicContact CD1-CD2 3.78Å; F430-L501 HydrophobicContact CD2-CB 4.34Å; F430-L501 HydrophobicContact CD2-CD1 4.13Å; F430-L501 HydrophobicContact CD2-CD2 4.42Å; F430-L501 HydrophobicContact CE1-CD2 4.11Å; F430-L501 HydrophobicContact CE2-CB 4.18Å; F430-L501 HydrophobicContact CG-CD1 4.13Å; F430-L501 HydrophobicContact CG-CD2 3.95Å; F430-L501 HydrophobicContact CG-CG 4.48Å; F430-L501 HydrophobicContact CZ-CB 4.38Å; C433-L501 HydrophobicContact CB-CD1 4.13Å; C433-L501 HydrophobicContact CB-CD2 4.33Å; F434-L501 HydrophobicContact CE2-CD1 4.13Å; F434-L501 HydrophobicContact CZ-CD1 4.08Å; E498-L501 HydrophobicContact CB-CD2 3.71Å | ||
| 502 | Q | 97.7 | Very high | 92.5 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | trans | -128.2 | 88.7 | 177.2 | -63.1 | -176.4 | 13.2 | 0 | 0 | 109.3 | I340 E344 L500 | I340-Q502 HydrophobicContact CD1-CG 4.16Å; I340-Q502 HydrophobicContact CG1-CG 4.37Å; E344-Q502 PolarHBondContact OE1-NE2 2.91Å; L500-Q502 HydrophobicContact CG-CG 4.38Å | ||
| 503 | P | 97.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | trans | -69.3 | 148.4 | -178.7 | 27.2 | -35.2 | 0 | 0 | 0 | 112.9 | S336 L370 I426 Q429 F430 C505 | S336-P503 WeakPolarHBondContact OG-CD 3.39Å; L370-P503 HydrophobicContact CD1-CG 4.47Å; L370-P503 HydrophobicContact CD2-CG 4.09Å; I426-P503 HydrophobicContact CG1-CG 4.42Å; Q429-P503 VanDerWaalsContact OE1-CB 3.27Å; F430-P503 HydrophobicContact CE2-CB 4.1Å; P503-C505 PolarHBondContact O-N 3.12Å; P503-C505 PolarHBondContact O-SG 3.22Å | ||
| 504 | D | 97.8 | Very high | 92.1 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | trans | -72.3 | 110.9 | 164 | -172.9 | -5.5 | 0 | 0 | 0 | 108.7 | Q429 Q506 R508 S509 | Q429-D504 PolarHBondContact NE2-O 3.46Å; D504-Q506 VanDerWaalsContact C-N 3.34Å; D504-Q506 VanDerWaalsContact OD1-CB 3.29Å; D504-Q506 WeakPolarHBondContact OD1-CB 3.37Å; D504-Q506 VanDerWaalsContact OD1-CG 3.26Å; D504-Q506 WeakPolarHBondContact OD1-CG 3.45Å; D504-Q506 PolarHBondContact OD1-N 2.82Å; D504-R508 IonicContact OD2-NH2 3.45Å; D504-S509 VanDerWaalsContact CG-CB 3.49Å; D504-S509 VanDerWaalsContact CG-OG 3.26Å; D504-S509 VanDerWaalsContact OD2-CB 3.28Å; D504-S509 WeakPolarHBondContact OD2-CB 3.06Å; D504-S509 PolarHBondContact OD2-OG 3.03Å | ||
| 505 | C | 97.6 | Very high | 91.9 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | trans | -88.5 | -0.1 | -175.7 | -58.1 | 0 | 0 | 0 | 0 | 113 | G329 L332 K333 P503 | G329-C505 VanDerWaalsContact CA-O 3.3Å; G329-C505 WeakPolarHBondContact CA-O 3.47Å; L332-C505 HydrophobicContact CB-CB 4.3Å; L332-C505 VanDerWaalsContact CB-SG 3.59Å; K333-C505 VanDerWaalsContact CA-SG 3.57Å; K333-C505 HydrophobicContact CB-CB 3.97Å; K333-C505 PolarHBondContact N-SG 2.8Å; P503-C505 PolarHBondContact O-N 3.12Å; P503-C505 PolarHBondContact O-SG 3.22Å | ||
| 506 | Q | 96.5 | Very high | 92.1 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -73.7 | 137.1 | 179.5 | -62 | 178.2 | 13 | 0 | 0 | 110.8 | D504 R508 S509 | D504-Q506 VanDerWaalsContact C-N 3.34Å; D504-Q506 VanDerWaalsContact OD1-CB 3.29Å; D504-Q506 WeakPolarHBondContact OD1-CB 3.37Å; D504-Q506 VanDerWaalsContact OD1-CG 3.26Å; D504-Q506 WeakPolarHBondContact OD1-CG 3.45Å; D504-Q506 PolarHBondContact OD1-N 2.82Å; Q506-R508 HydrophobicContact CB-CG 4.19Å; Q506-R508 PolarHBondContact O-N 2.95Å; Q506-R508 VanDerWaalsContact OE1-CZ 3.25Å; Q506-S509 WeakPolarHBondContact O-CA 3.43Å; Q506-S509 WeakPolarHBondContact O-CB 3.24Å; Q506-S509 PolarHBondContact O-N 3.24Å |
| 507 | V | 94.8 | Very high | 92.5 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -53.6 | -30.5 | -176.4 | 177.3 | 0 | 0 | 0 | 0 | 113.6 | L325 N326 S509 L510 | L325-V507 HydrophobicContact CB-CG1 3.98Å; L325-V507 HydrophobicContact CD1-CG1 4.45Å; N326-V507 HydrophobicContact CB-CG2 4.4Å; V507-S509 PolarHBondContact O-N 2.87Å; V507-L510 PolarHBondContact O-N 3.12Å |
| 508 | R | 94.6 | Very high | 92.4 | Very high | 194 Ų | 194 | 43.7 Ų | 43.7 | 73% | 0.732 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -67 | -13.6 | 175.5 | 70.2 | 179.4 | 176.5 | 93.2 | 18.3 | 114.9 | D504 Q506 | D504-R508 IonicContact OD2-NH2 3.45Å; Q506-R508 HydrophobicContact CB-CG 4.19Å; Q506-R508 PolarHBondContact O-N 2.95Å; Q506-R508 VanDerWaalsContact OE1-CZ 3.25Å |
| 509 | S | 95.9 | Very high | 92.1 | Very high | 39 Ų | 39 | 44 Ų | 44 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -113.5 | 8.2 | -176.5 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | Q429 D504 Q506 V507 | Q429-S509 PolarHBondContact NE2-O 3.33Å; Q429-S509 VanDerWaalsContact NE2-O 3.08Å; D504-S509 VanDerWaalsContact CG-CB 3.49Å; D504-S509 VanDerWaalsContact CG-OG 3.26Å; D504-S509 VanDerWaalsContact OD2-CB 3.28Å; D504-S509 WeakPolarHBondContact OD2-CB 3.06Å; D504-S509 PolarHBondContact OD2-OG 3.03Å; Q506-S509 WeakPolarHBondContact O-CA 3.43Å; Q506-S509 WeakPolarHBondContact O-CB 3.24Å; Q506-S509 PolarHBondContact O-N 3.24Å; V507-S509 PolarHBondContact O-N 2.87Å |
| 510 | L | 97.1 | Very high | 91.4 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | trans | -108 | 141.3 | 174.9 | -52.3 | -178.9 | 0 | 0 | 0 | 109.9 | L325 I328 L332 Q425 V507 | L325-L510 HydrophobicContact CD2-CB 4.39Å; L325-L510 WeakPolarHBondContact O-CD1 3.49Å; I328-L510 HydrophobicContact CB-CD1 4.31Å; I328-L510 HydrophobicContact CG2-CD1 4.09Å; L332-L510 HydrophobicContact CD1-CD2 3.77Å; Q425-L510 HydrophobicContact CB-CD2 4.21Å; Q425-L510 HydrophobicContact CG-CD2 4.1Å; V507-L510 PolarHBondContact O-N 3.12Å | ||
| 511 | S | 94.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | trans | -107.6 | 126.9 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | Q425 N428 W513 | Q425-S511 PolarHBondContact NE2-O 3.06Å; Q425-S511 PolarHBondContact OE1-O 3.26Å; Q425-S511 PolarHBondContact OE1-OG 3.12Å; N428-S511 PolarHBondContact ND2-OG 3.28Å; S511-W513 PolarHBondContact O-N 3.33Å | ||
| 512 | L | 93.2 | Very high | 88.9 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | trans | -58.1 | 128.5 | 170.9 | 177.9 | 60.3 | 0 | 0 | 0 | 110 | L304 F308 W315 L319 S514 Y517 | L304-L512 HydrophobicContact CD1-CD1 3.85Å; L304-L512 HydrophobicContact CD2-CD1 4.44Å; F308-L512 HydrophobicContact CE2-CD2 4.48Å; F308-L512 HydrophobicContact CZ-CD2 3.97Å; W315-L512 HydrophobicContact CZ2-CD2 3.84Å; L319-L512 HydrophobicContact CD1-CD1 4.39Å; L319-L512 HydrophobicContact CD1-CD2 4.2Å; L319-L512 HydrophobicContact CD2-CD2 4.27Å; L512-S514 PolarHBondContact O-N 2.96Å; L512-S514 PolarHBondContact O-OG 2.91Å; L512-Y517 HydrophobicContact CD1-CD2 3.82Å; L512-Y517 HydrophobicContact CD1-CE2 4.18Å | ||
| 513 | W | 93.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | trans | -75.4 | 66.1 | -175.7 | -168 | 14 | 0 | 0 | 0 | 112.4 | L417 L420 D421 H424 E438 L441 L442 S511 A515 F516 Y517 | L417-W513 HydrophobicContact CD1-CZ3 4.34Å; L420-W513 HydrophobicContact CB-CH2 4.27Å; L420-W513 HydrophobicContact CB-CZ3 3.96Å; D421-W513 HydrophobicContact CB-CE3 4.15Å; H424-W513 HydrophobicContact CB-CD2 4.08Å; H424-W513 HydrophobicContact CB-CE3 4.27Å; H424-W513 HydrophobicContact CB-CG 4.49Å; H424-W513 HydrophobicContact CB-CZ2 4.46Å; H424-W513 AromaticContact CD2-CD1 3.66Å; H424-W513 AromaticContact CD2-CG 3.59Å; H424-W513 AromaticContact CE1-CD1 3.2Å; H424-W513 AromaticContact CE1-CG 3.93Å; H424-W513 AromaticContact CE1-NE1 3.37Å; H424-W513 PolarHBondContact CE1-NE1 3.02Å; H424-W513 AromaticContact CG-CD1 3.8Å; H424-W513 AromaticContact CG-CD2 3.86Å; H424-W513 AromaticContact CG-CE2 3.87Å; H424-W513 AromaticContact CG-CG 3.83Å; H424-W513 AromaticContact CG-NE1 3.83Å; H424-W513 AromaticContact ND1-CD1 3.53Å; H424-W513 AromaticContact ND1-CE2 3.7Å; H424-W513 AromaticContact ND1-NE1 3.31Å; H424-W513 PolarHBondContact ND1-NE1 3.49Å; H424-W513 AromaticContact NE2-CD1 3.3Å; H424-W513 VanDerWaalsContact NE2-CD1 3.3Å; H424-W513 AromaticContact NE2-CG 3.68Å; H424-W513 AromaticContact NE2-NE1 3.92Å; E438-W513 VanDerWaalsContact OE1-CD1 3.27Å; E438-W513 PolarHBondContact OE1-NE1 2.75Å; L441-W513 HydrophobicContact CB-CH2 3.8Å; L441-W513 HydrophobicContact CB-CZ2 3.74Å; L442-W513 HydrophobicContact CD2-CZ2 3.71Å; L442-W513 HydrophobicContact CG-CZ2 4.24Å; S511-W513 PolarHBondContact O-N 3.33Å; W513-A515 PolarHBondContact O-N 3.12Å; W513-F516 HydrophobicContact CD2-CB 3.48Å; W513-F516 VanDerWaalsContact CD2-CB 3.48Å; W513-F516 HydrophobicContact CD2-CG 4.29Å; W513-F516 HydrophobicContact CE3-CB 3.81Å; W513-F516 HydrophobicContact CE3-CG 4.15Å; W513-F516 HydrophobicContact CG-CB 3.82Å; W513-F516 HydrophobicContact CH2-CB 4.37Å; W513-F516 HydrophobicContact CH2-CD2 4.1Å; W513-F516 HydrophobicContact CH2-CG 4.32Å; W513-F516 HydrophobicContact CZ2-CB 4.1Å; W513-F516 HydrophobicContact CZ2-CD2 4.29Å; W513-F516 HydrophobicContact CZ2-CG 4.46Å; W513-F516 HydrophobicContact CZ3-CB 4.24Å; W513-F516 HydrophobicContact CZ3-CD2 4.34Å; W513-F516 HydrophobicContact CZ3-CG 4.17Å; W513-F516 PolarHBondContact O-N 3.45Å; W513-Y517 HydrophobicContact CB-CD2 4.06Å; W513-Y517 HydrophobicContact CB-CE2 3.83Å; W513-Y517 WeakPolarHBondContact O-CD2 3.39Å; W513-Y517 PolarHBondContact O-N 2.96Å | ||
| 514 | S | 87.1 | Confident | 84.6 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -27.1 | -172.7 | -60 | 0 | 0 | 0 | 0 | 114.1 | L512 G518 | L512-S514 PolarHBondContact O-N 2.96Å; L512-S514 PolarHBondContact O-OG 2.91Å; S514-G518 WeakPolarHBondContact O-CA 3.3Å; S514-G518 PolarHBondContact O-N 3.44Å |
| 515 | A | 87.3 | Confident | 82 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -63 | -43.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E438 L442 W513 I519 A520 | E438-A515 WeakPolarHBondContact OE1-CB 3.31Å; L442-A515 HydrophobicContact CD1-CB 4.33Å; L442-A515 HydrophobicContact CD2-CB 4.11Å; W513-A515 PolarHBondContact O-N 3.12Å; A515-I519 WeakPolarHBondContact O-CG1 3.39Å; A515-I519 PolarHBondContact O-N 3.02Å; A515-A520 PolarHBondContact O-N 3.41Å |
| 516 | F | 89.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -75.4 | -56 | 178.3 | -166.2 | -92.9 | 0 | 0 | 0 | 112.1 | I67 L417 L442 L446 W513 G518 A520 | I67-F516 HydrophobicContact CB-CE1 3.7Å; I67-F516 HydrophobicContact CB-CZ 3.98Å; I67-F516 HydrophobicContact CD1-CZ 4.36Å; I67-F516 HydrophobicContact CG2-CE1 3.86Å; I67-F516 HydrophobicContact CG2-CZ 3.71Å; L417-F516 HydrophobicContact CD1-CD1 3.81Å; L417-F516 HydrophobicContact CD1-CE1 3.3Å; L417-F516 HydrophobicContact CD1-CE2 4.45Å; L417-F516 HydrophobicContact CD1-CZ 3.67Å; L417-F516 HydrophobicContact CD2-CE1 3.76Å; L417-F516 HydrophobicContact CD2-CZ 4.45Å; L417-F516 HydrophobicContact CG-CE1 4.18Å; L442-F516 HydrophobicContact CD2-CB 3.79Å; L442-F516 HydrophobicContact CD2-CD2 3.82Å; L442-F516 HydrophobicContact CD2-CG 4.32Å; L446-F516 HydrophobicContact CG-CE2 4.36Å; W513-F516 HydrophobicContact CD2-CB 3.48Å; W513-F516 VanDerWaalsContact CD2-CB 3.48Å; W513-F516 HydrophobicContact CD2-CG 4.29Å; W513-F516 HydrophobicContact CE3-CB 3.81Å; W513-F516 HydrophobicContact CE3-CG 4.15Å; W513-F516 HydrophobicContact CG-CB 3.82Å; W513-F516 HydrophobicContact CH2-CB 4.37Å; W513-F516 HydrophobicContact CH2-CD2 4.1Å; W513-F516 HydrophobicContact CH2-CG 4.32Å; W513-F516 HydrophobicContact CZ2-CB 4.1Å; W513-F516 HydrophobicContact CZ2-CD2 4.29Å; W513-F516 HydrophobicContact CZ2-CG 4.46Å; W513-F516 HydrophobicContact CZ3-CB 4.24Å; W513-F516 HydrophobicContact CZ3-CD2 4.34Å; W513-F516 HydrophobicContact CZ3-CG 4.17Å; W513-F516 PolarHBondContact O-N 3.45Å; F516-G518 VanDerWaalsContact C-N 3.35Å; F516-G518 PolarHBondContact O-N 3.29Å; F516-A520 HydrophobicContact CD2-CB 4.43Å; F516-A520 WeakPolarHBondContact O-CB 3.49Å |
| 517 | Y | 86.8 | Confident | 75.7 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -74.6 | -21.5 | -172.5 | -58.6 | -53.1 | 0 | 0 | 0 | 114.3 | I69 F301 L304 W324 L417 D421 L512 W513 | I69-Y517 WeakPolarHBondContact CG1-O 3.19Å; F301-Y517 HydrophobicContact CE2-CD1 4.09Å; F301-Y517 AromaticContact CE2-CE1 3.59Å; F301-Y517 HydrophobicContact CE2-CE1 3.59Å; F301-Y517 HydrophobicContact CZ-CD1 4.44Å; F301-Y517 HydrophobicContact CZ-CE1 4.14Å; L304-Y517 HydrophobicContact CD2-CD1 4.43Å; L304-Y517 HydrophobicContact CD2-CD2 4.13Å; L304-Y517 HydrophobicContact CD2-CE1 4.4Å; L304-Y517 HydrophobicContact CD2-CE2 4.05Å; L304-Y517 HydrophobicContact CD2-CG 4.33Å; W324-Y517 WeakPolarHBondContact CZ2-OH 3.33Å; W324-Y517 PolarHBondContact NE1-OH 2.89Å; L417-Y517 HydrophobicContact CD1-CE1 4.46Å; L417-Y517 HydrophobicContact CD2-CE1 4.23Å; L417-Y517 HydrophobicContact CG-CE1 4.47Å; D421-Y517 PolarHBondContact OD2-OH 3.43Å; L512-Y517 HydrophobicContact CD1-CD2 3.82Å; L512-Y517 HydrophobicContact CD1-CE2 4.18Å; W513-Y517 HydrophobicContact CB-CD2 4.06Å; W513-Y517 HydrophobicContact CB-CE2 3.83Å; W513-Y517 WeakPolarHBondContact O-CD2 3.39Å; W513-Y517 PolarHBondContact O-N 2.96Å |
| 518 | G | 76.2 | Confident | 72.6 | Confident | 20 Ų | 20 | 51 Ų | 51 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -97.4 | -49.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S514 F516 | S514-G518 WeakPolarHBondContact O-CA 3.3Å; S514-G518 PolarHBondContact O-N 3.44Å; F516-G518 VanDerWaalsContact C-N 3.35Å; F516-G518 PolarHBondContact O-N 3.29Å |
| 519 | I | 74.1 | Confident | 69.4 | Low | 71 Ų | 71 | 47.3 Ų | 47.3 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -131.1 | 0.4 | -160.3 | 61.8 | 170.4 | 0 | 0 | 0 | 116.3 | A515 L521 S522 P528 | A515-I519 WeakPolarHBondContact O-CG1 3.39Å; A515-I519 PolarHBondContact O-N 3.02Å; I519-L521 PolarHBondContact O-N 3.29Å; I519-S522 WeakPolarHBondContact O-CB 3.38Å; I519-S522 PolarHBondContact O-N 3.05Å; I519-P528 HydrophobicContact CD1-CB 4.14Å |
| 520 | A | 72.9 | Confident | 66.3 | Low | 23 Ų | 23 | 49.7 Ų | 49.7 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -11.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | I69 L446 A515 F516 | I69-A520 HydrophobicContact CD1-CB 4.2Å; L446-A520 HydrophobicContact CD1-CB 4.34Å; L446-A520 WeakPolarHBondContact CD1-O 3.37Å; L446-A520 HydrophobicContact CD2-CB 3.95Å; L446-A520 HydrophobicContact CG-CB 4.32Å; A515-A520 PolarHBondContact O-N 3.41Å; F516-A520 HydrophobicContact CD2-CB 4.43Å; F516-A520 WeakPolarHBondContact O-CB 3.49Å |
| 521 | L | 72.9 | Confident | 63.1 | Low | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 2.6 | 175.4 | -63 | 172.4 | 0 | 0 | 0 | 113.8 | W43 S44 I45 L49 T65 I67 I69 L446 I519 | W43-L521 HydrophobicContact CE3-CB 3.73Å; W43-L521 HydrophobicContact CZ3-CB 3.93Å; S44-L521 PolarHBondContact N-O 3.2Å; I45-L521 HydrophobicContact CG1-CD1 4.22Å; I45-L521 HydrophobicContact CG2-CD1 4.22Å; L49-L521 HydrophobicContact CD1-CD2 4.26Å; T65-L521 HydrophobicContact CG2-CD1 3.88Å; I67-L521 HydrophobicContact CD1-CD1 3.86Å; I67-L521 HydrophobicContact CD1-CD2 4.3Å; I67-L521 HydrophobicContact CD1-CG 3.96Å; I67-L521 HydrophobicContact CG1-CD1 4.38Å; I69-L521 HydrophobicContact CB-CD1 4.29Å; I69-L521 HydrophobicContact CD1-CB 4.13Å; I69-L521 HydrophobicContact CD1-CD1 4.08Å; I69-L521 HydrophobicContact CD1-CG 3.92Å; I69-L521 HydrophobicContact CG2-CD1 4.27Å; L446-L521 HydrophobicContact CD2-CD2 3.66Å; L446-L521 HydrophobicContact CD2-CG 4.28Å; I519-L521 PolarHBondContact O-N 3.29Å |
| 522 | S | 68.8 | Low | 60.1 | Low | 34 Ų | 34 | 59 Ų | 59 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 135.1 | 174.5 | -175 | 0 | 0 | 0 | 0 | 110.5 | I519 S524 | I519-S522 WeakPolarHBondContact O-CB 3.38Å; I519-S522 PolarHBondContact O-N 3.05Å; S522-S524 PolarHBondContact O-N 3.4Å |
| 523 | T | 56.8 | Low | 56.9 | Low | 74 Ų | 74 | 61.2 Ų | 61.2 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -86.9 | 23.2 | -177.8 | 69 | 0 | 0 | 0 | 0 | 113.4 | S42 | S42-T523 VanDerWaalsContact CB-OG1 3.26Å; S42-T523 WeakPolarHBondContact CB-OG1 3.34Å; S42-T523 PolarHBondContact O-N 3.27Å; S42-T523 PolarHBondContact O-OG1 3.42Å |
| 524 | S | 49.4 | Very low | 53.9 | Low | 38 Ų | 38 | 68.7 Ų | 68.7 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -135.7 | 139.7 | -175.3 | -101.7 | 0 | 0 | 0 | 0 | 114.8 | P39 Q40 S522 V526 | P39-S524 VanDerWaalsContact C-OG 3.28Å; P39-S524 PolarHBondContact O-OG 3.27Å; Q40-S524 VanDerWaalsContact CA-OG 3.3Å; Q40-S524 WeakPolarHBondContact CA-OG 3.34Å; Q40-S524 PolarHBondContact N-OG 3.39Å; S522-S524 PolarHBondContact O-N 3.4Å; S524-V526 PolarHBondContact O-N 3.49Å |
| 525 | K | 42.6 | Very low | 51.2 | Low | 118 Ų | 118 | 74.1 Ų | 74.1 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | trans | -75.7 | 99.3 | 170.6 | -61.9 | -175.8 | -172.1 | 176 | 0 | 110.5 | E1033 | K525-E1033 VanDerWaalsContact NZ-CD 3.35Å; K525-E1033 IonicContact NZ-OE1 3.05Å; K525-E1033 PolarHBondContact NZ-OE1 3.1Å | ||
| 526 | V | 32.8 | Very low | 48.6 | Very low | 82 Ų | 82 | 77.2 Ų | 77.2 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | trans | -126.9 | 129.5 | 157.6 | -173.8 | 0 | 0 | 0 | 0 | 106.5 | S524 | S524-V526 PolarHBondContact O-N 3.49Š| ||
| 527 | N | 29.1 | Very low | 45.8 | Very low | 141 Ų | 141 | 83.4 Ų | 83.4 | 75% | 0.754 | 47% | 0.466 | S | S | * | . | trans | -59.2 | 141.7 | 174.5 | -82.1 | -23.2 | 0 | 0 | 0 | 109.3 | T529 | N527-T529 PolarHBondContact O-N 3.07Š| ||
| 528 | P | 29.1 | Very low | 42.9 | Very low | 79 Ų | 79 | 92.5 Ų | 92.5 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | trans | -76.5 | 53.6 | -176.7 | 32.7 | -36.9 | 0 | 0 | 0 | 113.1 | I519 L530 | I519-P528 HydrophobicContact CD1-CB 4.14Å; P528-L530 PolarHBondContact O-N 3.2Å | ||
| 529 | T | 27.5 | Very low | 40.5 | Very low | 117 Ų | 117 | 95.3 Ų | 95.3 | 72% | 0.718 | 53% | 0.53 | S | S | * | . | trans | -67.6 | 82.3 | 140.5 | 50.7 | 0 | 0 | 0 | 0 | 106.8 | N527 D531 | N527-T529 PolarHBondContact O-N 3.07Å; T529-D531 PolarHBondContact O-N 3.18Å | ||
| 530 | L | 32.2 | Very low | 38.1 | Very low | 90 Ų | 90 | 98.1 Ų | 98.1 | 47% | 0.471 | 55% | 0.55 | S | S | . | * | trans | -49.8 | 132.6 | 158.7 | -97 | 142.2 | 0 | 0 | 0 | 107.6 | P528 I532 | P528-L530 PolarHBondContact O-N 3.2Å; L530-I532 HydrophobicContact CB-CG1 4.07Å; L530-I532 PolarHBondContact O-N 3.39Å | ||
| 531 | D | 28.8 | Very low | 36 | Very low | 154 Ų | 154 | 102.4 Ų | 102.4 | 82% | 0.824 | 58% | 0.577 | S | S | * | * | trans | -69.5 | 66.3 | 161.5 | -73 | -45.4 | 0 | 0 | 0 | 109.1 | T529 P533 | T529-D531 PolarHBondContact O-N 3.18Å; D531-P533 WeakPolarHBondContact O-CD 3.44Å | ||
| 532 | I | 30.5 | Very low | 33.9 | Very low | 107 Ų | 107 | 108.7 Ų | 108.7 | 55% | 0.549 | 61% | 0.61 | S | S | . | * | trans | -55.4 | 120.5 | 152.5 | -56.2 | 176.5 | 0 | 0 | 0 | 104.3 | L530 Q534 V536 | L530-I532 HydrophobicContact CB-CG1 4.07Å; L530-I532 PolarHBondContact O-N 3.39Å; I532-Q534 PolarHBondContact O-N 2.84Å; I532-Q534 VanDerWaalsContact O-N 3.16Å; I532-V536 HydrophobicContact CG2-CB 4.41Å | ||
| 533 | P | 25.9 | Very low | 32.1 | Very low | 74 Ų | 74 | 114.9 Ų | 114.9 | 48% | 0.481 | 64% | 0.641 | S | S | . | * | trans | -51.3 | 126.7 | -175.3 | -28.8 | 35.4 | 0 | 0 | 0 | 110.8 | D531 D535 V536 | D531-P533 WeakPolarHBondContact O-CD 3.44Å; P533-D535 HydrophobicContact CB-CB 4.32Å; P533-D535 PolarHBondContact O-N 2.89Å; P533-V536 WeakPolarHBondContact O-CB 3.18Å; P533-V536 WeakPolarHBondContact O-CG2 3.36Å; P533-V536 PolarHBondContact O-N 3.08Å | ||
| 534 | Q | 30.8 | Very low | 30.5 | Very low | 158 Ų | 158 | 115.2 Ų | 115.2 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -60 | -21.9 | -176.3 | -72.8 | -179.3 | -74.9 | 0 | 0 | 112.1 | I532 V536 I537 | I532-Q534 PolarHBondContact O-N 2.84Å; I532-Q534 VanDerWaalsContact O-N 3.16Å; Q534-V536 PolarHBondContact O-N 3.24Å; Q534-I537 PolarHBondContact O-N 2.96Å |
| 535 | D | 30.5 | Very low | 29.6 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -47.4 | -17.2 | 165 | -42.5 | -26.9 | 0 | 0 | 0 | 115.1 | P533 | P533-D535 HydrophobicContact CB-CB 4.32Å; P533-D535 PolarHBondContact O-N 2.89Å |
| 536 | V | 34 | Very low | 28.7 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 49% | 0.485 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -92.3 | -14 | 179.5 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | I532 P533 Q534 | I532-V536 HydrophobicContact CG2-CB 4.41Å; P533-V536 WeakPolarHBondContact O-CB 3.18Å; P533-V536 WeakPolarHBondContact O-CG2 3.36Å; P533-V536 PolarHBondContact O-N 3.08Å; Q534-V536 PolarHBondContact O-N 3.24Å |
| 537 | I | 29.6 | Very low | 28.4 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 67% | 0.672 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -27.6 | -176 | -63.1 | 178.9 | 0 | 0 | 0 | 112.3 | Q534 A539 | Q534-I537 PolarHBondContact O-N 2.96Å; I537-A539 PolarHBondContact O-N 2.82Å |
| 538 | E | 25.8 | Very low | 28.2 | Very low | 192 Ų | 192 | 121.4 Ų | 121.4 | 90% | 0.897 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -82.5 | 50.6 | 178.8 | -62.1 | -160 | 148.8 | 0 | 0 | 113.4 | ||
| 539 | A | 26.4 | Very low | 28.1 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | trans | -134.4 | 43 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I537 | I537-A539 PolarHBondContact O-N 2.82Š| ||
| 540 | T | 24.4 | Very low | 28.1 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -126.9 | 125 | 160.8 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 541 | P | 29 | Very low | 27.8 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | -134.5 | 137.7 | 111.5 | 36.5 | -27.9 | 0 | 0 | 0 | 114 | |||||
| 542 | N | 27.5 | Very low | 27.7 | Very low | 142 Ų | 142 | 124.7 Ų | 124.7 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | 22.6 | 108.9 | 141 | -50.3 | -19.1 | 0 | 0 | 0 | 118.4 | ||||
| 543 | N | 31.5 | Very low | 27.5 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | -178.3 | 156.9 | 96.6 | -92.1 | -26 | 0 | 0 | 0 | 112.6 | |||||
| 544 | A | 23.3 | Very low | 27.5 | Very low | 80 Ų | 80 | 126.3 Ų | 126.3 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | trans | -90.2 | 143 | 164 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 545 | H | 30.1 | Very low | 27.4 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | 173 | 118.8 | 120.8 | -97 | -75.4 | 0 | 0 | 0 | 113.3 | |||||
| 546 | S | 24.8 | Very low | 27.2 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | 44 | 121.1 | 138.7 | 63.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 547 | V | 25.1 | Very low | 27 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | 87.2 | 106.9 | 118.2 | 170.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 548 | T | 25.2 | Very low | 27 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | 83.3 | 135.2 | 141.7 | 54.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 549 | N | 27.8 | Very low | 27.2 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 85.7 | 92.7 | 135.8 | -68.8 | 5.8 | 0 | 0 | 0 | 123.5 | ||||
| 550 | S | 26.4 | Very low | 27.3 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | 76.5 | 96.9 | 113 | 71.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 551 | T | 26.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | 68 | 131.9 | 123.9 | 50 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 552 | I | 26.8 | Very low | 27.2 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | 75.6 | 133.4 | 140.8 | -67.7 | 167.4 | 0 | 0 | 0 | 115.5 | ||||
| 553 | S | 24.9 | Very low | 27.3 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | cis | -148.8 | 167.5 | 7.1 | 36.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 554 | S | 25.9 | Very low | 27.1 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -91.7 | 153.6 | 170.9 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 555 | P | 29.8 | Very low | 27.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | trans | -94.2 | 139.3 | 170.9 | 34.8 | -31.6 | 0 | 0 | 0 | 112.8 | ||||
| 556 | T | 26.2 | Very low | 27.5 | Very low | 131 Ų | 131 | 129 Ų | 129 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -145.5 | 145.1 | 165.9 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 557 | K | 28.7 | Very low | 27.6 | Very low | 198 Ų | 198 | 129 Ų | 129 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | 164.1 | 154.9 | 169.8 | -99.9 | 160.1 | -175.9 | 178.3 | 0 | 107.8 | ||||
| 558 | H | 30.3 | Very low | 28 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | cis | -171 | 160.9 | -14.9 | -137.4 | 34.8 | 0 | 0 | 0 | 105.1 | ||||
| 559 | K | 29.3 | Very low | 28.2 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 67% | 0.665 | 77% | 0.767 | S | S | * | * | cis | -150.7 | -151.8 | -2.7 | -146.3 | 176.3 | -169.7 | 154.8 | 0 | 104.8 | ||||
| 560 | S | 29.9 | Very low | 28.2 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | -164.6 | 144.8 | -8.4 | 25.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 561 | L | 24.4 | Very low | 28.2 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | cis | 92.1 | 91 | 40.9 | -162.4 | 161.9 | 0 | 0 | 0 | 114.2 | ||||
| 562 | S | 27.5 | Very low | 28.3 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -168.1 | 159.1 | 150.2 | 69.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 563 | S | 27.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | -142.6 | -171 | 14.3 | -56 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 564 | I | 28.3 | Very low | 28.4 | Very low | 147 Ų | 147 | 134 Ų | 134 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -136.2 | 145 | -165.7 | -74.9 | 172.1 | 0 | 0 | 0 | 111.8 | ||||
| 565 | D | 25 | Very low | 28.5 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 61 | 166.3 | 158.1 | -71 | -6.9 | 0 | 0 | 0 | 122.1 | ||||
| 566 | P | 35.6 | Very low | 28.3 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | cis | -132.9 | -174.5 | -27.2 | 30.6 | -10.2 | 0 | 0 | 0 | 113.9 | ||||
| 567 | A | 28.3 | Very low | 28.4 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -97.8 | 163.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 568 | P | 32.5 | Very low | 28.2 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -119.2 | 158.2 | 163.6 | 38.4 | -28.5 | 0 | 0 | 0 | 114.7 | ||||
| 569 | H | 29.1 | Very low | 28 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -91.5 | 154.4 | -172.2 | -86.2 | -95.9 | 0 | 0 | 0 | 117.1 | ||||
| 570 | K | 29 | Very low | 27.9 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 81% | 0.809 | 76% | 0.758 | S | S | * | * | trans | -152.9 | 141.8 | 147.3 | -84 | -148.8 | 174 | -169 | 0 | 107.6 | ||||
| 571 | T | 26.7 | Very low | 27.7 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 57% | 0.571 | 77% | 0.766 | S | S | * | * | cis | 75.8 | 125.7 | 11 | 99.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 572 | D | 28.1 | Very low | 27.8 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | cis | -145.1 | 179.1 | 10.6 | -84.7 | -58.8 | 0 | 0 | 0 | 113 | ||||
| 573 | S | 28.4 | Very low | 27.8 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 75.7 | 129 | 171 | 70.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 574 | T | 25.2 | Very low | 27.6 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | cis | 97 | 86.6 | 11.7 | 80 | 0 | 0 | 0 | 0 | 119 | ||||
| 575 | S | 29.2 | Very low | 27.9 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -165.6 | 107.8 | 143.4 | 54.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 576 | N | 25 | Very low | 28 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | 46.9 | 109.9 | 61.8 | -76.9 | 18.5 | 0 | 0 | 0 | 114.4 | |||||
| 577 | I | 28.5 | Very low | 27.5 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | -152.4 | 142.4 | 122.3 | -98.7 | 157 | 0 | 0 | 0 | 107.5 | |||||
| 578 | N | 24.8 | Very low | 27.5 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 51% | 0.513 | 76% | 0.76 | S | S | . | * | trans | -87.7 | 159.1 | -178.1 | -60.2 | -12.5 | 0 | 0 | 0 | 111.9 | E580 | N578-E580 HydrophobicContact CB-CG 4.26Å; N578-E580 PolarHBondContact ND2-OE1 3.47Å; N578-E580 VanDerWaalsContact ND2-OE1 3.15Å | ||
| 579 | Y | 26.4 | Very low | 27.2 | Very low | 220 Ų | 220 | 139.8 Ų | 139.8 | 86% | 0.863 | 76% | 0.757 | S | S | * | * | -141 | 109.6 | 110.6 | -78.3 | -74.6 | 0 | 0 | 0 | 105.6 | |||||
| 580 | E | 26 | Very low | 27 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 58% | 0.584 | 76% | 0.761 | S | S | * | * | 58.2 | 101.1 | 80.6 | -76.2 | 163 | -152.4 | 0 | 0 | 111.6 | N578 | N578-E580 HydrophobicContact CB-CG 4.26Å; N578-E580 PolarHBondContact ND2-OE1 3.47Å; N578-E580 VanDerWaalsContact ND2-OE1 3.15Å | |||
| 581 | E | 25.8 | Very low | 26.7 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | 78.4 | 135.2 | 100.6 | -75.8 | -168.4 | 167.4 | 0 | 0 | 112.8 | |||||
| 582 | S | 27 | Very low | 26.7 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | -156.8 | -168.3 | -5.6 | 60.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 583 | S | 27.7 | Very low | 26.6 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | -159.4 | -170.7 | 9 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 584 | Q | 22.7 | Very low | 26.5 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -151.1 | 175.8 | 169.1 | -90 | -164.2 | -9 | 0 | 0 | 108.1 | ||||
| 585 | P | 35.5 | Very low | 26.6 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | -134.3 | -175 | -46.3 | 39.9 | -24.5 | 0 | 0 | 0 | 111.5 | ||||
| 586 | T | 27.1 | Very low | 26.5 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -178.4 | 124.1 | 132.4 | 29.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 587 | T | 24.1 | Very low | 26.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 13.5 | 126.3 | 144 | 56.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 588 | N | 28.8 | Very low | 26.4 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | -173.3 | 138.1 | 101.9 | -96.9 | -28.7 | 0 | 0 | 0 | 116.9 | |||||
| 589 | L | 25.4 | Very low | 26.3 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -1.6 | 140.9 | 156 | -68.4 | 164.6 | 0 | 0 | 0 | 123.6 | ||||
| 590 | L | 25.6 | Very low | 26.3 | Very low | 176 Ų | 176 | 137 Ų | 137 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | 69 | 135.3 | 156.6 | -58 | 162.9 | 0 | 0 | 0 | 117 | ||||
| 591 | G | 23.2 | Very low | 26.1 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -172.5 | -161.5 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 592 | D | 27.4 | Very low | 26 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | 71.9 | 156.6 | 172.5 | -57.9 | -12.8 | 0 | 0 | 0 | 119.8 | ||||
| 593 | D | 24.5 | Very low | 25.8 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -87.7 | 140.8 | -164.1 | -66.5 | -75.6 | 0 | 0 | 0 | 115.3 | ||||
| 594 | H | 27.5 | Very low | 25.8 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | -171.4 | 152 | 116.5 | -102.2 | -66.4 | 0 | 0 | 0 | 111.5 | |||||
| 595 | P | 26.9 | Very low | 26 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -83.4 | 143 | -176.2 | 33.9 | -33.1 | 0 | 0 | 0 | 112.3 | ||||
| 596 | S | 26.5 | Very low | 25.4 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -147.7 | 141.5 | 169.4 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 597 | D | 23.8 | Very low | 25.4 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | trans | -68.5 | 149.5 | -176.6 | -69.5 | -77.9 | 0 | 0 | 0 | 112.9 | S406 | S406-D597 WeakPolarHBondContact CB-OD1 3.09Š| ||
| 598 | S | 28.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 145 Ų | 145 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -150.7 | 68.8 | 168.5 | -80.6 | 0 | 0 | 0 | 0 | 110.7 | K600 | S598-K600 PolarHBondContact O-N 3.4Å; S598-K600 VanDerWaalsContact O-N 3.12Å | ||
| 599 | I | 22.3 | Very low | 25.3 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 60% | 0.595 | 79% | 0.786 | S | S | * | * | trans | -64.3 | 108.8 | 173 | -60.6 | 172.7 | 0 | 0 | 0 | 108.8 | P405 I601 | P405-I599 WeakPolarHBondContact O-CD1 3.37Å; I599-I601 HydrophobicContact CG2-CG1 4.19Å | ||
| 600 | K | 25.3 | Very low | 25.2 | Very low | 207 Ų | 207 | 141 Ų | 141 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | trans | -96 | 106.4 | 162.7 | -91.7 | -171.9 | 173.9 | 179.7 | 0 | 110.1 | S598 M602 | S598-K600 PolarHBondContact O-N 3.4Å; S598-K600 VanDerWaalsContact O-N 3.12Å; K600-M602 PolarHBondContact O-N 3.08Å | ||
| 601 | I | 21.8 | Very low | 25.4 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -64.8 | 122.5 | 175.3 | -57.3 | 167.5 | 0 | 0 | 0 | 109.2 | I599 | I599-I601 HydrophobicContact CG2-CG1 4.19Š| ||
| 602 | M | 23.8 | Very low | 25.6 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -140.1 | 136.3 | 157.5 | -88.2 | -165.6 | 70.3 | 0 | 0 | 110.7 | K600 | K600-M602 PolarHBondContact O-N 3.08Š| ||
| 603 | V | 22.8 | Very low | 25.6 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | -92 | 126.4 | -168.1 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | N605 | V603-N605 PolarHBondContact O-N 2.94Š| ||
| 604 | P | 27.6 | Very low | 25.7 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -85.8 | 92.5 | 178.4 | 33.1 | -32.9 | 0 | 0 | 0 | 111.6 | ||||
| 605 | N | 27.4 | Very low | 25.8 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -73.3 | 129.4 | 167.2 | -108.7 | -39.8 | 0 | 0 | 0 | 110.6 | V603 | V603-N605 PolarHBondContact O-N 2.94Š| ||
| 606 | L | 22.4 | Very low | 25.9 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -71 | 128.4 | 178.8 | -112.7 | 74.8 | 0 | 0 | 0 | 111.7 | ||||
| 607 | K | 27.4 | Very low | 26.1 | Very low | 208 Ų | 208 | 141.2 Ų | 141.2 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -155.7 | 130.1 | 142.4 | -115.9 | 162.7 | -171.8 | 172.1 | 0 | 111.4 | ||||
| 608 | I | 24.1 | Very low | 26.3 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | trans | -88.4 | 125.3 | 179.3 | -62.1 | 170.1 | 0 | 0 | 0 | 108.2 | ||||
| 609 | G | 26.7 | Very low | 26 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -167.7 | 120.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 610 | T | 24.8 | Very low | 26.2 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -99.2 | 116.8 | -168.3 | 50 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 611 | S | 28.3 | Very low | 26.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -158.4 | 135.5 | 154.2 | 56 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 612 | E | 28.2 | Very low | 26.5 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -54 | 162.2 | 167.1 | -58.3 | 149.8 | 166.7 | 0 | 0 | 112 | ||||
| 613 | E | 26.5 | Very low | 26.5 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -159.7 | 144.1 | -19.3 | -121.1 | -173.8 | -150.2 | 0 | 0 | 107.1 | N615 | E613-N615 PolarHBondContact OE2-ND2 2.94Š| ||
| 614 | L | 28 | Very low | 26.7 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -139.5 | 99.9 | 160.6 | -90.5 | 175.6 | 0 | 0 | 0 | 109.7 | ||||
| 615 | N | 28.9 | Very low | 26.6 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | trans | -73.4 | 160.9 | 165.5 | -58.4 | -70.4 | 0 | 0 | 0 | 109.1 | E613 | E613-N615 PolarHBondContact OE2-ND2 2.94Š| ||
| 616 | S | 28.8 | Very low | 26.7 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | cis | -146 | -169.2 | 4.4 | 53 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 617 | D | 30 | Very low | 27 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | S | Bend | cis | -141.2 | 157.1 | 24.3 | -78.5 | -49.7 | 0 | 0 | 0 | 112.5 | ||
| 618 | G | 28.5 | Very low | 27.1 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | S | Bend | cis | -176.1 | 144.9 | -3.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 619 | D | 23.6 | Very low | 27.3 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -150.4 | 93.4 | 149 | -141.8 | -7.6 | 0 | 0 | 0 | 105.7 | ||||
| 620 | L | 25.5 | Very low | 27.3 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | -140.6 | 108 | -169.1 | -150.7 | 77.9 | 0 | 0 | 0 | 115.1 | ||||
| 621 | F | 25.9 | Very low | 27.4 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 49.5 | 125.7 | 144.6 | -75.2 | -125 | 0 | 0 | 0 | 120.2 | ||||
| 622 | I | 27.3 | Very low | 27.4 | Very low | 173 Ų | 173 | 142 Ų | 142 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | -132.8 | 120.4 | 103.2 | -58.4 | -174.4 | 0 | 0 | 0 | 110.1 | |||||
| 623 | K | 24.9 | Very low | 27.3 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -149.8 | 138.3 | 147.4 | -115.1 | 176.8 | -175.5 | 176.5 | 0 | 109.2 | ||||
| 624 | G | 25.9 | Very low | 27.3 | Very low | 64 Ų | 64 | 144.9 Ų | 144.9 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | -95.7 | 154.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 625 | Y | 26.4 | Very low | 27.2 | Very low | 241 Ų | 241 | 140.9 Ų | 140.9 | 95% | 0.945 | 75% | 0.748 | S | S | * | * | trans | 72.2 | 139.8 | 159.7 | -81.7 | -87.6 | 0 | 0 | 0 | 121.2 | ||||
| 626 | A | 29.5 | Very low | 27 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | 67.2 | 68.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 627 | S | 27.2 | Very low | 26.7 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | 38.3 | 138 | 119.4 | -161.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 628 | S | 29.5 | Very low | 26.5 | Very low | 88 Ų | 88 | 145 Ų | 145 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | 94.7 | 94.5 | 151.5 | -174.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 629 | R | 28.8 | Very low | 26.5 | Very low | 223 Ų | 223 | 149.1 Ų | 149.1 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | 77.8 | 120.5 | 135.3 | -66 | 174.7 | 174.7 | 161.1 | -0.1 | 120.4 | ||||
| 630 | N | 26.8 | Very low | 26.6 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | 32.8 | 132.1 | 119.3 | -61.6 | 6 | 0 | 0 | 0 | 118.6 | |||||
| 631 | S | 27.8 | Very low | 26.6 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | cis | 178.5 | 151.1 | 7.9 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 632 | H | 27.9 | Very low | 26.7 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 67.6 | 149 | 154 | -78.3 | 26 | 0 | 0 | 0 | 117 | ||||
| 633 | R | 26.2 | Very low | 26.8 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | cis | -166.7 | 140.1 | -6.7 | -122.7 | -178.3 | -167.3 | -166.4 | 2.8 | 108.7 | ||||
| 634 | R | 25.2 | Very low | 26.8 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 58.1 | 161.5 | 152.7 | -65.1 | 177.5 | 179.6 | -173 | -5.3 | 116.7 | ||||
| 635 | S | 26.8 | Very low | 26.9 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | cis | -170.1 | 136.3 | -29.9 | 52.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 636 | L | 24.4 | Very low | 27 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | -170.5 | 165.3 | 87.9 | -132.9 | 77.1 | 0 | 0 | 0 | 109.5 | |||||
| 637 | D | 23.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -0.4 | 122.3 | 149.8 | -40.1 | -27.1 | 0 | 0 | 0 | 117.8 | ||||
| 638 | D | 25.8 | Very low | 27.2 | Very low | 159 Ų | 159 | 154 Ų | 154 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | -167.2 | 175.7 | 115 | -137.1 | -30.1 | 0 | 0 | 0 | 112.7 | |||||
| 639 | I | 28.6 | Very low | 27.1 | Very low | 150 Ų | 150 | 160 Ų | 160 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 74.9 | 91.4 | 172.3 | -47.1 | -175.8 | 0 | 0 | 0 | 116.5 | ||||
| 640 | N | 24.9 | Very low | 27.2 | Very low | 144 Ų | 144 | 157.5 Ų | 157.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -75.1 | 157 | 145 | -109.7 | -37.6 | 0 | 0 | 0 | 111 | ||||
| 641 | N | 25.9 | Very low | 27.4 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 66.6 | 117 | 158.5 | -60.9 | -23.9 | 0 | 0 | 0 | 120.5 | ||||
| 642 | Y | 27.4 | Very low | 27.5 | Very low | 221 Ų | 221 | 159.6 Ų | 159.6 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -150.3 | 132.4 | 151.1 | -147.3 | -98.3 | 0 | 0 | 0 | 106.9 | ||||
| 643 | M | 29.4 | Very low | 27.5 | Very low | 152 Ų | 152 | 162.4 Ų | 162.4 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | cis | -168.8 | 162.3 | -14.3 | -115.7 | -80.1 | -148 | 0 | 0 | 105.6 | ||||
| 644 | D | 24.6 | Very low | 27.6 | Very low | 146 Ų | 146 | 160.1 Ų | 160.1 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -135.5 | 153.4 | 177.7 | -161 | 9.9 | 0 | 0 | 0 | 114.5 | ||||
| 645 | S | 28.9 | Very low | 27.7 | Very low | 93 Ų | 93 | 158.7 Ų | 158.7 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | 71.6 | 140.8 | 166.6 | 81.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 646 | R | 27.7 | Very low | 27.9 | Very low | 249 Ų | 249 | 159 Ų | 159 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | trans | -153.3 | 163.7 | 144.6 | -86.4 | -147.6 | 179.1 | -167.8 | 0.6 | 110.9 | ||||
| 647 | F | 31.4 | Very low | 28 | Very low | 186 Ų | 186 | 160.7 Ų | 160.7 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -93.1 | 142 | -155.4 | -93.3 | -113.1 | 0 | 0 | 0 | 118.1 | ||||
| 648 | T | 28.6 | Very low | 28.1 | Very low | 120 Ų | 120 | 158.4 Ų | 158.4 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 17.3 | 139.3 | 142 | 62.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 649 | K | 28.3 | Very low | 28.2 | Very low | 213 Ų | 213 | 156.9 Ų | 156.9 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | trans | -154.7 | 157.2 | 130.3 | -117.5 | 178.7 | -177.8 | -178.1 | 0 | 111.3 | ||||
| 650 | Q | 31.3 | Very low | 28.2 | Very low | 172 Ų | 172 | 160.6 Ų | 160.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -107.7 | 155.2 | -175 | -76.4 | 176.7 | -51.6 | 0 | 0 | 113.7 | ||||
| 651 | Q | 30.6 | Very low | 28.2 | Very low | 179 Ų | 179 | 160.5 Ų | 160.5 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 32.7 | 124.8 | 148.2 | -62.4 | 178.8 | 1.2 | 0 | 0 | 118.2 | ||||
| 652 | S | 30 | Very low | 28 | Very low | 111 Ų | 111 | 158.5 Ų | 158.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -161.3 | -179 | 8.9 | 64 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 653 | R | 27.8 | Very low | 28.7 | Very low | 213 Ų | 213 | 153.5 Ų | 153.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | cis | -144.8 | -135 | 11.3 | -156 | -176 | 176.8 | 155.5 | 2.2 | 111.7 | ||||
| 654 | E | 28.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 59% | 0.589 | 78% | 0.78 | S | S | * | * | trans | -129.9 | 163.5 | -165.3 | -56.5 | 161 | 117 | 0 | 0 | 109.2 | ||||
| 655 | F | 27.8 | Very low | 28.7 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -133.6 | 149.5 | 16.2 | -88 | -100.4 | 0 | 0 | 0 | 111.6 | ||
| 656 | S | 30.1 | Very low | 28.7 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -149.5 | 133.1 | -25.5 | 43.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 657 | L | 26.4 | Very low | 28.9 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -89.7 | 156 | -148.3 | -98.9 | 166.5 | 0 | 0 | 0 | 116 | ||||
| 658 | S | 25.9 | Very low | 28.8 | Very low | 91 Ų | 91 | 150.2 Ų | 150.2 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -113.1 | 151.4 | -175.1 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 659 | N | 28 | Very low | 28.8 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | 62.9 | 110.6 | 148.9 | -73.4 | -51.4 | 0 | 0 | 0 | 122 | ||||
| 660 | R | 28.9 | Very low | 28.9 | Very low | 228 Ų | 228 | 146.2 Ų | 146.2 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 87.3 | 134.3 | 116.9 | -70.7 | 177.9 | -174.2 | -146.5 | -4.1 | 121.7 | |||||
| 661 | V | 24.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -60.3 | 154.7 | 159.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 662 | S | 23.1 | Very low | 28.7 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -91.2 | -137.5 | 178.6 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 663 | P | 41.4 | Very low | 28.6 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | -122.9 | -178.9 | -93.9 | 36.8 | -22.3 | 0 | 0 | 0 | 114.1 | |||||
| 664 | T | 27.3 | Very low | 28.7 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -134.2 | 99 | 162.4 | -52 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 665 | I | 26.1 | Very low | 28.7 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 52.7 | 139.5 | 134.7 | -56.2 | 172.9 | 0 | 0 | 0 | 120.9 | ||||
| 666 | M | 28.9 | Very low | 28.9 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -148.4 | 156.3 | 155 | -159 | -159.9 | -168 | 0 | 0 | 111 | ||||
| 667 | K | 32.7 | Very low | 28.8 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | 86.8 | 152.1 | 160.5 | -53 | 179.3 | -179.2 | -179.8 | 0 | 120.2 | ||||
| 668 | S | 28.2 | Very low | 29 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -148.8 | 160.8 | 144.4 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 669 | S | 30.3 | Very low | 29 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -165.1 | 167 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 670 | S | 29.3 | Very low | 29 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -96.7 | -169.3 | -161.7 | -40.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 671 | Q | 32.3 | Very low | 29 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -140.7 | 154.6 | -159 | 178.7 | -168.2 | 34.1 | 0 | 0 | 113.2 | ||||
| 672 | C | 25.7 | Very low | 29.2 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | trans | -172 | 141.4 | 161.9 | -96 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 673 | F | 27 | Very low | 29.6 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 77% | 0.772 | 77% | 0.77 | S | S | * | * | trans | 32.7 | 152 | 141.2 | -68.6 | -91.1 | 0 | 0 | 0 | 124.2 | ||||
| 674 | F | 29.9 | Very low | 28.9 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | cis | -179.1 | 163.1 | -20.5 | -135.7 | -140.8 | 0 | 0 | 0 | 113.6 | ||||
| 675 | E | 29.4 | Very low | 29.5 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 58.6 | 164.2 | 150.4 | -87.1 | -163.3 | 91.2 | 0 | 0 | 123.8 | ||||
| 676 | N | 30.8 | Very low | 29.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | cis | -168.6 | 177 | -26.1 | -152.8 | -13.7 | 0 | 0 | 0 | 113 | ||||
| 677 | N | 29.6 | Very low | 29.6 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | 67.2 | 163.3 | 164.4 | -66.6 | -26 | 0 | 0 | 0 | 120.2 | ||||
| 678 | I | 29.3 | Very low | 29.3 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | -167.4 | 137.9 | -54.3 | -107.8 | 169.8 | 0 | 0 | 0 | 109.8 | |||||
| 679 | C | 27.1 | Very low | 29.3 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 57.9 | 161.3 | 167.9 | -74.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 680 | N | 28 | Very low | 29.3 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | cis | -154.4 | 172.4 | -16 | -115.5 | 10.2 | 0 | 0 | 0 | 111.5 | ||||
| 681 | E | 27.5 | Very low | 29.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -21.1 | 142.4 | 174.6 | -45.4 | 179.6 | 143.9 | 0 | 0 | 121.1 | ||||
| 682 | K | 29.1 | Very low | 29 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 170.3 | 127.3 | 95.6 | -89.3 | -175.3 | -172.8 | 173.5 | 0 | 114.9 | |||||
| 683 | N | 31.4 | Very low | 29.2 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | 152.4 | 126.1 | 147.7 | -84.3 | -13.8 | 0 | 0 | 0 | 108.7 | ||||
| 684 | S | 27.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | 155.8 | 152.5 | -22 | 49.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 685 | P | 39.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -120.6 | 165.4 | -154.8 | 41.4 | -31.1 | 0 | 0 | 0 | 117.9 | ||||
| 686 | G | 23.3 | Very low | 29.1 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 76.4 | -179.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 687 | P | 33.9 | Very low | 28.9 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | cis | -124.6 | -167.5 | -13.3 | 40.9 | -25.3 | 0 | 0 | 0 | 112.8 | ||||
| 688 | A | 25.9 | Very low | 28.8 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -118.6 | 148.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 689 | I | 29.6 | Very low | 28.7 | Very low | 152 Ų | 152 | 134 Ų | 134 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -147.1 | 129.1 | 171.4 | -70.3 | -170.5 | 0 | 0 | 0 | 111.1 | ||||
| 690 | L | 28.8 | Very low | 28.6 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 62.4 | 137.4 | 165.8 | -68.9 | 167.9 | 0 | 0 | 0 | 117.9 | ||||
| 691 | R | 27.5 | Very low | 28.6 | Very low | 210 Ų | 210 | 133.4 Ų | 133.4 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | -141.5 | 139.2 | 9.3 | -108.8 | -177.2 | -177.5 | 162.3 | 0.2 | 111 | ||||
| 692 | L | 28.8 | Very low | 28.5 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | 58.6 | 132.4 | 148.7 | -56.8 | 169.3 | 0 | 0 | 0 | 118.5 | ||||
| 693 | S | 29.2 | Very low | 28.5 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -168.1 | 144.1 | -2.1 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 694 | S | 30 | Very low | 28.4 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 55.6 | 143.3 | 153 | 54.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 695 | L | 28.4 | Very low | 28.6 | Very low | 173 Ų | 173 | 127.2 Ų | 127.2 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | cis | -163.6 | 178.5 | -21.8 | -125 | 159.7 | 0 | 0 | 0 | 106.3 | ||||
| 696 | S | 25.8 | Very low | 28 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | trans | -116 | 165.9 | -170 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 697 | D | 27.1 | Very low | 28.4 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 74 | 150.4 | 151.8 | -47.2 | -42.8 | 0 | 0 | 0 | 121.9 | ||||
| 698 | D | 28 | Very low | 28 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 62.6 | 119 | 152.6 | -70.8 | -21.6 | 0 | 0 | 0 | 124.3 | ||||
| 699 | T | 27.2 | Very low | 28.1 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 64.5 | 102.6 | 138.3 | 61.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 700 | G | 24.3 | Very low | 28 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | 100 | 175.5 | 127.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 701 | I | 28.5 | Very low | 27.8 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | 67.5 | 86.4 | 169.9 | -47 | -177.9 | 0 | 0 | 0 | 116.7 | ||||
| 702 | C | 25.7 | Very low | 27.7 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | 35.9 | 124.4 | 125.1 | -56.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 703 | S | 29.2 | Very low | 27.6 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | 74.6 | 138.5 | 128.6 | 73.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 704 | G | 29 | Very low | 27.4 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 144.8 | 105.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 705 | L | 31.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 66.6 | 120.3 | 163.7 | -47.7 | 174.3 | 0 | 0 | 0 | 115 | ||||
| 706 | S | 26.9 | Very low | 27.7 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | 62.7 | 134.2 | 53.4 | 96.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 707 | K | 31.1 | Very low | 27.9 | Very low | 199 Ų | 199 | 130.6 Ų | 130.6 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | cis | -135.5 | 166.4 | 37.6 | -66.3 | 178.7 | 177.7 | 177.8 | 0 | 115.7 | ||||
| 708 | S | 26.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -75.7 | -174.7 | 171 | -29.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 709 | Y | 26.1 | Very low | 28.1 | Very low | 203 Ų | 203 | 128.2 Ų | 128.2 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 103.7 | 110.8 | 139 | -115.8 | -131.9 | 0 | 0 | 0 | 121 | ||||
| 710 | I | 27.9 | Very low | 28.2 | Very low | 105 Ų | 105 | 127 Ų | 127 | 54% | 0.538 | 75% | 0.754 | S | S | . | * | 71.9 | 120.6 | 123.2 | -76.7 | -158.3 | 0 | 0 | 0 | 122.7 | |||||
| 711 | R | 25.9 | Very low | 28.4 | Very low | 214 Ų | 214 | 133.9 Ų | 133.9 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 48.5 | 113.8 | 137.4 | -59.7 | -179.9 | 174.4 | 165.1 | -3 | 122 | ||||
| 712 | S | 25.2 | Very low | 28.8 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | 68.2 | 130.3 | 110.6 | -51 | 0 | 0 | 0 | 0 | 123 | |||||
| 713 | L | 25.2 | Very low | 28.9 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | 69.8 | 151.9 | 144.4 | -66.9 | 167.4 | 0 | 0 | 0 | 117.3 | ||||
| 714 | S | 27 | Very low | 29.2 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | cis | -149.1 | 163 | -2.1 | 50 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 715 | S | 30.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | 141.9 | 168.3 | 98.8 | 63 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 716 | V | 31.8 | Very low | 29.3 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | cis | -145.8 | 142.4 | 4.8 | -156.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 717 | N | 30.5 | Very low | 29.5 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | 153.5 | 127.4 | 123.8 | -89 | -46.4 | 0 | 0 | 0 | 116.8 | |||||
| 718 | N | 31.5 | Very low | 29.4 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 58.9 | 136.9 | 142.5 | -54.4 | -25 | 0 | 0 | 0 | 121.5 | ||||
| 719 | G | 28.1 | Very low | 29.6 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 177.9 | -22.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 720 | S | 30.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 25.8 | 110.1 | 165.5 | -64 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 721 | Y | 27.7 | Very low | 29.8 | Very low | 221 Ų | 221 | 140.6 Ų | 140.6 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | 65.8 | 176.8 | 149.9 | -65.4 | -77.1 | 0 | 0 | 0 | 118.5 | ||||
| 722 | P | 36.4 | Very low | 29.7 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | -132.4 | 179.8 | -75.9 | 40.5 | -23.6 | 0 | 0 | 0 | 115.7 | |||||
| 723 | F | 28.8 | Very low | 30.4 | Very low | 204 Ų | 204 | 136.3 Ų | 136.3 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -68.8 | 149.9 | 173.7 | -92.8 | -83 | 0 | 0 | 0 | 115 | ||||
| 724 | P | 35.9 | Very low | 30.4 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -118.3 | 156.3 | 141.7 | 36.3 | -28.2 | 0 | 0 | 0 | 112.9 | ||||
| 725 | K | 27.8 | Very low | 30.5 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -104.4 | 163.6 | 172 | -67.3 | -178.1 | 178.6 | -179.7 | 0 | 110.9 | ||||
| 726 | H | 32.6 | Very low | 30.4 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -138.3 | 139.3 | 154 | -109.2 | -84 | 0 | 0 | 0 | 110.9 | ||||
| 727 | S | 31 | Very low | 30.6 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 31.8 | 130.1 | 161 | 49.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 728 | D | 30.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | cis | -147.4 | 154.9 | 23.1 | -128.8 | -19.1 | 0 | 0 | 0 | 113.8 | ||||
| 729 | K | 30 | Very low | 30.6 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 18.5 | 143 | 156.6 | -62.6 | 146.7 | -166.3 | 143.8 | 0 | 121.5 | ||||
| 730 | C | 28.2 | Very low | 30.7 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | cis | -169.2 | 136.9 | -14.1 | -114.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 731 | I | 29.9 | Very low | 30.8 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 69.7 | 147.7 | 147.1 | -59.3 | 169.1 | 0 | 0 | 0 | 118.3 | ||||
| 732 | S | 24.8 | Very low | 30.6 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -117.8 | 175.7 | -174.2 | 57 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 733 | P | 38.7 | Very low | 30.4 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -92.6 | 163.9 | -158.1 | 37.4 | -37 | 0 | 0 | 0 | 115.6 | ||||
| 734 | E | 25.6 | Very low | 30.2 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | -179 | 163 | 122.7 | -103.7 | -175.1 | 170.7 | 0 | 0 | 115.1 | |||||
| 735 | S | 29.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 74.8 | 121.5 | 157.1 | 69.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 736 | D | 28.1 | Very low | 29.5 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 63.4 | 158.6 | 135.4 | -83.3 | -10 | 0 | 0 | 0 | 123.8 | ||||
| 737 | P | 37.3 | Very low | 29.1 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -129 | 167.3 | -134.9 | 44.4 | -32.8 | 0 | 0 | 0 | 116.9 | ||||
| 738 | A | 28.5 | Very low | 29 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | 176.4 | 154.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 739 | Q | 32.1 | Very low | 29.1 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 64.3 | 102.1 | 157.5 | -70.4 | -173.7 | 11.3 | 0 | 0 | 121.6 | ||||
| 740 | L | 30.4 | Very low | 29 | Very low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | 98 | 126.6 | 123.4 | -72.6 | 165.5 | 0 | 0 | 0 | 121.5 | |||||
| 741 | T | 32.3 | Very low | 28.9 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | 68.3 | 66.8 | 158.1 | 52.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 742 | A | 25.5 | Very low | 28.9 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -124.1 | 140.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 743 | S | 30.9 | Very low | 29.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -120.3 | 58.6 | -172.2 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 744 | T | 24.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -153.4 | 112 | 157.9 | -31.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 745 | C | 23.9 | Very low | 28.6 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 72% | 0.716 | 77% | 0.77 | S | S | * | * | trans | -154.4 | 137 | -175.2 | -167 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 746 | T | 25 | Very low | 28.3 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -117.5 | 132.2 | 169.6 | -36.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 747 | Y | 24.1 | Very low | 28.3 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -123.8 | 108.8 | -157.8 | -155.4 | -84.5 | 0 | 0 | 0 | 115 | ||||
| 748 | V | 29.8 | Very low | 27.9 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -157.6 | 143 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 749 | N | 32.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -163.1 | 154.7 | -32.1 | -173.6 | 22.4 | 0 | 0 | 0 | 108.6 | ||||
| 750 | R | 27.7 | Very low | 28.1 | Very low | 205 Ų | 205 | 138.1 Ų | 138.1 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | trans | -150.7 | 147.4 | 170.9 | -85.8 | -171.6 | 174 | -178.6 | -2.8 | 109.1 | ||||
| 751 | F | 26.7 | Very low | 28 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | -163.9 | 140.9 | 65.9 | -117.7 | -98.1 | 0 | 0 | 0 | 112.8 | |||||
| 752 | Q | 29.3 | Very low | 27.7 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | trans | 51.3 | 156.3 | 147.4 | -74.1 | 179.7 | -16.7 | 0 | 0 | 121 | ||||
| 753 | Q | 28.2 | Very low | 27.7 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | cis | -158.9 | 149.8 | 4.4 | -133.2 | 167.2 | -9.3 | 0 | 0 | 111.3 | ||||
| 754 | Q | 27.5 | Very low | 27.4 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 66% | 0.659 | 74% | 0.736 | S | S | * | * | trans | 59.2 | 149.5 | 152.3 | -76.6 | 166.4 | -73.3 | 0 | 0 | 119.9 | ||||
| 755 | E | 26 | Very low | 27.3 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | cis | -152.4 | -179.1 | -5.2 | -139.3 | 158.2 | -129.1 | 0 | 0 | 112.8 | ||||
| 756 | C | 23.7 | Very low | 27.3 | Very low | 113 Ų | 113 | 141 Ų | 141 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -40.4 | 163.3 | -176.3 | -57.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 757 | V | 28.4 | Very low | 27.2 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | -165.6 | 137.6 | 61.6 | 163.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 758 | L | 28.5 | Very low | 27.2 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | 24.7 | 131.6 | 151 | -49.7 | 171.7 | 0 | 0 | 0 | 121.1 | ||||
| 759 | S | 26.3 | Very low | 26.9 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | cis | 83.8 | 148 | 31 | 82.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 760 | P | 39.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | cis | -141.2 | -155.1 | -21.1 | 34.3 | -9.4 | 0 | 0 | 0 | 114.2 | ||||
| 761 | D | 26.6 | Very low | 26.5 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 74.4 | 146.4 | 157.9 | -55.8 | -15.1 | 0 | 0 | 0 | 119.7 | ||||
| 762 | E | 27 | Very low | 26.5 | Very low | 158 Ų | 158 | 133 Ų | 133 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | cis | -161.9 | 151 | -22.4 | -129.1 | -161.3 | -171.5 | 0 | 0 | 112 | ||||
| 763 | N | 25.5 | Very low | 26.3 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | trans | 61.6 | 134 | 143.4 | -84.9 | -36 | 0 | 0 | 0 | 126.9 | ||||
| 764 | I | 24.2 | Very low | 26.2 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | trans | 87.8 | 110.7 | 138.1 | -66 | 166.1 | 0 | 0 | 0 | 122.3 | ||||
| 765 | D | 22.8 | Very low | 26.3 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | 42.4 | 142.1 | 133.9 | -64.5 | -34 | 0 | 0 | 0 | 127 | ||||
| 766 | V | 22.7 | Very low | 26.4 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | trans | 90.4 | 112.5 | 134.8 | 156.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 767 | F | 23.5 | Very low | 26.5 | Very low | 191 Ų | 191 | 132 Ų | 132 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | 66.4 | 107.4 | 146.1 | -78.9 | -118.6 | 0 | 0 | 0 | 122.9 | ||||
| 768 | A | 24.1 | Very low | 26.6 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 65% | 0.653 | 71% | 0.713 | S | S | * | * | 61 | 137.6 | 115.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 769 | S | 24.4 | Very low | 26.4 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | trans | 63.9 | 142.4 | 152.7 | 53.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 770 | D | 25 | Very low | 26.4 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | cis | -166.2 | 169.4 | -10.4 | -117.6 | -44.7 | 0 | 0 | 0 | 109.7 | ||||
| 771 | E | 26.4 | Very low | 26 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | 63.1 | 159.4 | 164.8 | -63.2 | -166 | 136.7 | 0 | 0 | 118.2 | ||||
| 772 | Q | 26.2 | Very low | 26 | Very low | 133 Ų | 133 | 136 Ų | 136 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | cis | -161.6 | 149.4 | -22.8 | -112.1 | -172.6 | 43.7 | 0 | 0 | 109 | ||||
| 773 | L | 24.7 | Very low | 26.2 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | 61.4 | 161.6 | 154.1 | -60 | 171 | 0 | 0 | 0 | 117 | ||||
| 774 | E | 27.9 | Very low | 26.4 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | cis | -151.2 | 152.9 | 8.9 | -139.1 | 160.5 | -148.8 | 0 | 0 | 111.1 | ||||
| 775 | Q | 28.5 | Very low | 26.7 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | trans | 23.7 | 151.3 | 132.6 | -61.4 | -179.9 | 63.3 | 0 | 0 | 120.7 | ||||
| 776 | N | 28.5 | Very low | 27 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | cis | -174.2 | 176.5 | 3.5 | -101 | -4.4 | 0 | 0 | 0 | 106.6 | ||||
| 777 | D | 26.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | cis | -173.9 | -168.9 | -20.8 | -177.8 | 19.2 | 0 | 0 | 0 | 106.3 | ||||
| 778 | F | 28.9 | Very low | 27.4 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | 79.5 | 151.2 | 170.9 | -57.9 | -87.3 | 0 | 0 | 0 | 118.7 | ||||
| 779 | S | 25.6 | Very low | 27.6 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 53% | 0.531 | 69% | 0.692 | S | S | . | * | 176.4 | 157.4 | -52 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 780 | F | 26.1 | Very low | 27.8 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 82% | 0.82 | 70% | 0.695 | S | S | * | * | trans | 67.1 | 157.1 | 164.5 | -65.5 | -70.2 | 0 | 0 | 0 | 117.4 | ||||
| 781 | T | 30.6 | Very low | 28 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | cis | -148 | 169.8 | 16.1 | -25.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 782 | N | 27.2 | Very low | 28.2 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | trans | -56.3 | 164.6 | 173 | -57.5 | -37.4 | 0 | 0 | 0 | 114.2 | ||||
| 783 | H | 30.9 | Very low | 28.2 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | -173.6 | 147.9 | 62.8 | -102.4 | -61.6 | 0 | 0 | 0 | 117.2 | |||||
| 784 | N | 30.2 | Very low | 28.5 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | trans | 57.7 | 115.7 | 134.9 | -67 | 13 | 0 | 0 | 0 | 124.7 | ||||
| 785 | N | 29.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | 79.1 | 138.4 | 116 | -61 | -0 | 0 | 0 | 0 | 123.3 | |||||
| 786 | N | 29 | Very low | 28.8 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | 73.1 | 146.6 | 139.7 | -73.7 | 10.2 | 0 | 0 | 0 | 119.2 | ||||
| 787 | I | 27.1 | Very low | 28.9 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 65% | 0.651 | 71% | 0.708 | S | S | * | * | cis | -164.5 | 178.7 | -21.6 | -127.8 | 170 | 0 | 0 | 0 | 107.1 | ||||
| 788 | D | 28.6 | Very low | 29 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 69.9 | 151.1 | 162.7 | -84.1 | -32 | 0 | 0 | 0 | 119.1 | ||||
| 789 | T | 28.2 | Very low | 29.2 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | cis | -161 | 171.9 | -33 | -2.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 790 | M | 28 | Very low | 29.5 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | trans | 63.5 | 140.5 | 153.5 | -74.6 | -172.5 | -177.6 | 0 | 0 | 118.5 | ||||
| 791 | N | 29.1 | Very low | 29.7 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | cis | -177.7 | 155.7 | 15.4 | -111.6 | -15.3 | 0 | 0 | 0 | 110.8 | ||||
| 792 | S | 30.5 | Very low | 29.6 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 69.3 | 120.6 | 147.6 | 77.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 793 | C | 27.5 | Very low | 29.4 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | 89.5 | 137.6 | 82.7 | -69.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 794 | S | 30.2 | Very low | 29.1 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | cis | -163.2 | 168.6 | -0.5 | -102.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 795 | N | 31.3 | Very low | 28.7 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 64.8 | 103.8 | 156.6 | -58.3 | -12.6 | 0 | 0 | 0 | 119.6 | ||||
| 796 | N | 31.2 | Very low | 28.6 | Very low | 168 Ų | 168 | 138 Ų | 138 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | -150.5 | 159.9 | 86.2 | -102.7 | -30.2 | 0 | 0 | 0 | 111.2 | |||||
| 797 | L | 29.8 | Very low | 28.5 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | -140.5 | 140.3 | -152.3 | -149.8 | 92.2 | 0 | 0 | 0 | 113.9 | ||||
| 798 | M | 29.8 | Very low | 28.4 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | 61.4 | 142 | 155.6 | -82 | -179 | 177.8 | 0 | 0 | 119.6 | ||||
| 799 | S | 32.3 | Very low | 28.1 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | cis | -153.2 | -176.7 | -10.4 | 75.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 800 | S | 32.1 | Very low | 27.9 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | -149.9 | -173.5 | 13.6 | -111 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 801 | G | 29.6 | Very low | 28.1 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | cis | 99.9 | 120.5 | 15.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 802 | R | 29 | Very low | 28 | Very low | 230 Ų | 230 | 147.3 Ų | 147.3 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | cis | -135.3 | 144.7 | -3.2 | -57.5 | -179.7 | -172.9 | 173.5 | 2.8 | 107.3 | ||||
| 803 | L | 23.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 57.4 | 111.9 | 62.5 | -88.5 | 172.6 | 0 | 0 | 0 | 115 | |||||
| 804 | Y | 24.8 | Very low | 27.5 | Very low | 215 Ų | 215 | 151 Ų | 151 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | -151 | 137 | 123.9 | -111 | -74.6 | 0 | 0 | 0 | 110.6 | |||||
| 805 | Y | 22 | Very low | 27.2 | Very low | 226 Ų | 226 | 151.1 Ų | 151.1 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -150.1 | 112 | 176.2 | -144.1 | -71.8 | 0 | 0 | 0 | 106.9 | ||||
| 806 | S | 27.6 | Very low | 26.9 | Very low | 86 Ų | 86 | 151.8 Ų | 151.8 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | -158.2 | 109.7 | 174.7 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 807 | Q | 26.1 | Very low | 26.6 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | 32.5 | 113.3 | 129.2 | -60.9 | 168.4 | -21.2 | 0 | 0 | 117.4 | |||||
| 808 | F | 25.1 | Very low | 26.5 | Very low | 215 Ų | 215 | 154.9 Ų | 154.9 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | -156.8 | 116.6 | 103.3 | -108.6 | -71.9 | 0 | 0 | 0 | 110.8 | |||||
| 809 | N | 22.4 | Very low | 26.4 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -152.8 | 101 | 171.9 | -178.7 | 11.9 | 0 | 0 | 0 | 108.5 | ||||
| 810 | Q | 24.7 | Very low | 26.3 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -171.5 | 157.1 | 162.7 | -95.5 | -62 | -61.2 | 0 | 0 | 107.4 | ||||
| 811 | P | 30.8 | Very low | 26 | Very low | 100 Ų | 100 | 152.6 Ų | 152.6 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -107.1 | 158.7 | -156.7 | 39.4 | -34.2 | 0 | 0 | 0 | 115.3 | ||||
| 812 | I | 27.2 | Very low | 26 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -133.3 | 121.7 | 158.2 | -62.3 | -178.1 | 0 | 0 | 0 | 108.8 | ||||
| 813 | Q | 23.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 149 Ų | 149 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -80.7 | 143.4 | 164.3 | -67.2 | 179.2 | -34.4 | 0 | 0 | 109.8 | ||||
| 814 | N | 23.8 | Very low | 26.6 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 56.9 | 146.5 | 142.1 | -62.1 | -12 | 0 | 0 | 0 | 119 | ||||
| 815 | C | 24.5 | Very low | 26.7 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | -144 | 138.5 | 11.1 | -110.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 816 | Q | 24.6 | Very low | 26.9 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | 69.8 | 137.8 | 83.2 | -72.9 | -168.7 | -13.9 | 0 | 0 | 118 | |||||
| 817 | F | 24.9 | Very low | 26.8 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 75% | 0.746 | 75% | 0.753 | S | S | * | * | trans | 64 | 110.9 | 150.4 | -68.8 | -55.6 | 0 | 0 | 0 | 122.3 | ||||
| 818 | Y | 27.6 | Very low | 27.3 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | -136.2 | 141.4 | 122.1 | -97.3 | -96.3 | 0 | 0 | 0 | 107.5 | K820 | Y818-K820 HydrophobicContact CD1-CD 4.03Å; Y818-K820 HydrophobicContact CE1-CD 3.68Å; Y818-K820 VanDerWaalsContact CE1-NZ 3.27Å; Y818-K820 PolarHBondContact OH-NZ 3.43Å | |||
| 819 | G | 27.9 | Very low | 27.4 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | cis | 171.9 | -177.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 820 | K | 29.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 68% | 0.683 | 74% | 0.737 | S | S | * | * | cis | -172 | 138.4 | -13.3 | -132 | 177.5 | -176.8 | 176.7 | 0 | 108.9 | Y818 | Y818-K820 HydrophobicContact CD1-CD 4.03Å; Y818-K820 HydrophobicContact CE1-CD 3.68Å; Y818-K820 VanDerWaalsContact CE1-NZ 3.27Å; Y818-K820 PolarHBondContact OH-NZ 3.43Å | ||
| 821 | C | 27.1 | Very low | 27.6 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | 162.6 | 146.5 | 148.4 | -96.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 822 | S | 29.4 | Very low | 27.3 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | cis | -160.1 | 162.1 | -23.9 | -108 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 823 | P | 35.4 | Very low | 27.2 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | -117.2 | 179.5 | -149.9 | 43 | -35.3 | 0 | 0 | 0 | 115.7 | ||||
| 824 | L | 28.6 | Very low | 27.2 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | 173.1 | 154.7 | 142.1 | -86.6 | 148.9 | 0 | 0 | 0 | 108.2 | ||||
| 825 | S | 26.9 | Very low | 27.4 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | cis | 178.6 | 151.1 | -30.2 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 826 | I | 27.7 | Very low | 27.3 | Very low | 160 Ų | 160 | 137 Ų | 137 | 82% | 0.821 | 72% | 0.722 | S | S | * | * | trans | 68.5 | 152.7 | 152.7 | -64.9 | 156.3 | 0 | 0 | 0 | 116.7 | ||||
| 827 | S | 24.6 | Very low | 27.4 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | cis | -162.5 | 168.7 | -43.1 | 74 | 0 | 0 | 0 | 0 | 109 | ||||
| 828 | P | 37.4 | Very low | 27.7 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | trans | -111.5 | 161.6 | -169.5 | 40.2 | -33.5 | 0 | 0 | 0 | 116.3 | ||||
| 829 | R | 26.3 | Very low | 27.8 | Very low | 228 Ų | 228 | 131.4 Ų | 131.4 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | 174.4 | 163.6 | 161.5 | -101.9 | -179.3 | 174.2 | 155.8 | 6 | 109 | ||||
| 830 | Q | 24.6 | Very low | 27.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | cis | -173.6 | -179.3 | -28.8 | -115.9 | -172.9 | -78.7 | 0 | 0 | 106.4 | ||||
| 831 | F | 26.9 | Very low | 27.9 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | trans | 75 | 150.3 | 165.1 | -58.6 | -78.5 | 0 | 0 | 0 | 119.1 | ||||
| 832 | E | 24 | Very low | 27.8 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | cis | -169.3 | 164.3 | -41.3 | -120.3 | 170.4 | -146.8 | 0 | 0 | 112.6 | ||||
| 833 | F | 24.9 | Very low | 27.9 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | 36 | 137 | 154.9 | -69.1 | -63.1 | 0 | 0 | 0 | 126 | ||||
| 834 | N | 24.3 | Very low | 27.4 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | trans | 65.4 | 165.8 | 134.4 | -76 | 32.8 | 0 | 0 | 0 | 121.4 | ||||
| 835 | D | 28.1 | Very low | 27.4 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | cis | -137.7 | -173.3 | 12.8 | -109.2 | -37.6 | 0 | 0 | 0 | 113.5 | ||||
| 836 | C | 23.1 | Very low | 27.4 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 69% | 0.689 | 74% | 0.742 | S | S | * | * | trans | -100.4 | 173.3 | -174.7 | -58.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 837 | D | 26.6 | Very low | 27.5 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 66.1 | 145.5 | 157.3 | -54.1 | -34.5 | 0 | 0 | 0 | 117.8 | ||||
| 838 | D | 30.5 | Very low | 27.6 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | -168.5 | 157.9 | 59.2 | -156 | -8 | 0 | 0 | 0 | 115.4 | |||||
| 839 | S | 30.5 | Very low | 27.3 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | 68.3 | 130.1 | 149.2 | 74.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 840 | N | 25.7 | Very low | 27.5 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -56.4 | 163.2 | 170.2 | -49 | -73.9 | 0 | 0 | 0 | 117.2 | ||||
| 841 | H | 32.4 | Very low | 27.6 | Very low | 181 Ų | 181 | 134 Ų | 134 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | -157.5 | 158.1 | 117.3 | -122.9 | -86.7 | 0 | 0 | 0 | 114.4 | |||||
| 842 | N | 25.9 | Very low | 27.7 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | -88.5 | 150.8 | -175.6 | -56.5 | -56 | 0 | 0 | 0 | 114 | ||||
| 843 | D | 30.6 | Very low | 27.7 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | -171.4 | 139.5 | 116.3 | -96.2 | -35.7 | 0 | 0 | 0 | 108.4 | |||||
| 844 | S | 25.1 | Very low | 28 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | 124.2 | 160.6 | 13 | 78.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 845 | V | 30.3 | Very low | 28.2 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | 77.6 | 98 | -161.6 | -169.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 846 | N | 25.3 | Very low | 28.1 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | cis | 92.7 | 150.7 | 23.2 | -157.6 | 15.8 | 0 | 0 | 0 | 115.1 | ||||
| 847 | V | 29.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 72.9 | 133.6 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 848 | E | 27.8 | Very low | 28.2 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | -171.9 | 179.1 | -14.1 | -107.6 | -159.1 | -110.8 | 0 | 0 | 106.7 | ||||
| 849 | S | 30 | Very low | 28 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | cis | -173.1 | -165.7 | -25.3 | 57.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 850 | H | 30.9 | Very low | 27.8 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | cis | -154.4 | 64.5 | 2.9 | -155 | -67.6 | 0 | 0 | 0 | 115 | ||||
| 851 | S | 26.3 | Very low | 27.9 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | 73.3 | 162 | 148.3 | 80.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 852 | K | 30.1 | Very low | 27.7 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | 95.8 | 108.2 | 153.5 | -69.8 | 173.1 | -175.7 | 179.4 | 0 | 122.1 | ||||
| 853 | L | 23.6 | Very low | 27.7 | Very low | 159 Ų | 159 | 135 Ų | 135 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -60 | 165.3 | 149.3 | -92.4 | 161.9 | 0 | 0 | 0 | 112.2 | ||||
| 854 | P | 30.8 | Very low | 27.3 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | -151.9 | 162 | 50.1 | 42.9 | -22 | 0 | 0 | 0 | 121.8 | |||||
| 855 | S | 28.3 | Very low | 27.3 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | trans | 62.4 | 124.1 | 143.7 | 61.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 856 | N | 26.1 | Very low | 26.9 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | 72.1 | 97.9 | 147.8 | -57.9 | 1 | 0 | 0 | 0 | 119.5 | ||||
| 857 | F | 26.8 | Very low | 27 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 91% | 0.912 | 75% | 0.748 | S | S | * | * | -152.4 | 177.3 | 103.3 | -120.7 | -87 | 0 | 0 | 0 | 110.3 | |||||
| 858 | N | 25.9 | Very low | 26.6 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -115.7 | 171.4 | -166.4 | -165.2 | 15.3 | 0 | 0 | 0 | 112.7 | ||||
| 859 | L | 26.6 | Very low | 26.5 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | 91.4 | 131 | 169.2 | -61.9 | 167.2 | 0 | 0 | 0 | 118.8 | ||||
| 860 | D | 25.9 | Very low | 26.3 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 51.5 | 126 | 142.8 | -52.4 | -22 | 0 | 0 | 0 | 121.7 | ||||
| 861 | G | 26.9 | Very low | 25.9 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | 140.9 | 86.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 862 | V | 29.3 | Very low | 26 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 50.1 | 97.5 | 148.1 | -170.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 863 | Q | 25.3 | Very low | 25.6 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -61 | 135.2 | 150.2 | -91.5 | 179.8 | -101.5 | 0 | 0 | 110 | D865 | Q863-D865 PolarHBondContact NE2-OD2 3.5Å; Q863-D865 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 864 | C | 21.9 | Very low | 25.7 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -82.4 | 132.6 | 153 | -64.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 865 | D | 25.6 | Very low | 25.4 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 60% | 0.599 | 76% | 0.763 | S | S | * | * | trans | -146.6 | 117.6 | 159 | -101.3 | -53.3 | 0 | 0 | 0 | 111 | Q863 | Q863-D865 PolarHBondContact NE2-OD2 3.5Å; Q863-D865 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 866 | N | 22.6 | Very low | 25.1 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -87.1 | 99.2 | 167.7 | -84.7 | -50.5 | 0 | 0 | 0 | 108.1 | ||||
| 867 | F | 25.7 | Very low | 25 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -132.1 | 102 | 168.9 | -95.8 | -73.9 | 0 | 0 | 0 | 114.5 | ||||
| 868 | T | 22.5 | Very low | 24.9 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 115.6 | 159.7 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 869 | Y | 26.2 | Very low | 24.9 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -144.5 | 109.1 | 152.2 | -104.2 | -91.7 | 0 | 0 | 0 | 107.5 | ||||
| 870 | N | 25.7 | Very low | 24.9 | Very low | 135 Ų | 135 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 71.3 | 124.3 | 75.5 | -82.9 | -37.5 | 0 | 0 | 0 | 114.7 | |||||
| 871 | S | 21.9 | Very low | 24.9 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -58 | 135 | 170.9 | 169.7 | 0 | 0 | 0 | 0 | 112.9 | R873 | S871-R873 PolarHBondContact O-N 3.43Š| ||
| 872 | P | 28.5 | Very low | 24.8 | Very low | 103 Ų | 103 | 146 Ų | 146 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -78.6 | 99.6 | 161.1 | 31.9 | -30.3 | 0 | 0 | 0 | 110 | W874 | P872-W874 PolarHBondContact O-N 2.96Š| ||
| 873 | R | 22.4 | Very low | 24.8 | Very low | 234 Ų | 234 | 146.5 Ų | 146.5 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -47.1 | 136.5 | 159.3 | -76 | 172 | 162.2 | 170.6 | -6.5 | 110.1 | S871 | S871-R873 PolarHBondContact O-N 3.43Š| ||
| 874 | W | 25.7 | Very low | 24.8 | Very low | 236 Ų | 236 | 142.6 Ų | 142.6 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -110.6 | 106.6 | 156.5 | -79.3 | 85 | 0 | 0 | 0 | 109.9 | P872 | P872-W874 PolarHBondContact O-N 2.96Š| ||
| 875 | S | 23 | Very low | 24.9 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -74.4 | 126 | 174.5 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | T877 | S875-T877 PolarHBondContact O-N 2.91Š| ||
| 876 | V | 23.5 | Very low | 24.8 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -78.6 | 100.1 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | T878 | V876-T878 HydrophobicContact CG1-CG2 4.05Š| ||
| 877 | T | 23.8 | Very low | 24.7 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -106.2 | 110.9 | 166.9 | -48.4 | 0 | 0 | 0 | 0 | 108 | S875 | S875-T877 PolarHBondContact O-N 2.91Š| ||
| 878 | T | 23.8 | Very low | 24.7 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -79 | 125.2 | -169 | 44.1 | 0 | 0 | 0 | 0 | 113.3 | V876 | V876-T878 HydrophobicContact CG1-CG2 4.05Š| ||
| 879 | R | 25.3 | Very low | 24.7 | Very low | 254 Ų | 254 | 145 Ų | 145 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | trans | -166.6 | 134 | 156.3 | -111.3 | 171.1 | -170.9 | -165.9 | 2.5 | 110.9 | ||||
| 880 | G | 27.5 | Very low | 24.7 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 102.8 | 104.7 | 167 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 881 | S | 26 | Very low | 24.6 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -11 | 141 | 155.5 | 51.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 882 | N | 25.5 | Very low | 24.8 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | 70.1 | 101 | 157.6 | -61.7 | -7.2 | 0 | 0 | 0 | 118.7 | ||||
| 883 | T | 28.2 | Very low | 24.8 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 128.1 | 149.2 | -40.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 884 | S | 25.8 | Very low | 24.9 | Very low | 86 Ų | 86 | 143.9 Ų | 143.9 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | trans | -81.7 | 147.3 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | Y886 | S884-Y886 PolarHBondContact O-N 3.49Š| ||
| 885 | L | 22.7 | Very low | 25 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -75.1 | 109.9 | 172.4 | -166.7 | 80.3 | 0 | 0 | 0 | 110 | ||||
| 886 | Y | 24.2 | Very low | 25 | Very low | 195 Ų | 195 | 141 Ų | 141 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -94.2 | 121.7 | 172.4 | -82.6 | -87.4 | 0 | 0 | 0 | 111 | S884 | S884-Y886 PolarHBondContact O-N 3.49Š| ||
| 887 | V | 21.7 | Very low | 25.1 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -84.1 | 107.5 | 164 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | S889 | V887-S889 PolarHBondContact O-N 3.06Š| ||
| 888 | L | 24.1 | Very low | 25.2 | Very low | 138 Ų | 138 | 144 Ų | 144 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | trans | -81.5 | 102.7 | 176.3 | -84.2 | 168.4 | 0 | 0 | 0 | 110.8 | D890 | L888-D890 PolarHBondContact O-N 3.3Š| ||
| 889 | S | 23.1 | Very low | 25.2 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -86.4 | 91.8 | 162.2 | 57.7 | 0 | 0 | 0 | 0 | 109.1 | V887 V891 | V887-S889 PolarHBondContact O-N 3.06Å; S889-V891 PolarHBondContact O-N 3Å | ||
| 890 | D | 26.1 | Very low | 25.1 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -71.8 | 97 | -176.2 | -78.2 | -28.9 | 0 | 0 | 0 | 112.7 | L888 | L888-D890 PolarHBondContact O-N 3.3Š| ||
| 891 | V | 23.6 | Very low | 25.1 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -126.9 | 111 | 158.4 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | S889 | S889-V891 PolarHBondContact O-N 3Š| ||
| 892 | K | 26.6 | Very low | 24.9 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -169.7 | 160.9 | 133.8 | -109 | 162.5 | -173 | -179.8 | 0 | 114.7 | ||||
| 893 | Q | 27.9 | Very low | 24.8 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -72.3 | 153.5 | 177.9 | -61.1 | 128.1 | -65.1 | 0 | 0 | 112 | ||||
| 894 | S | 24.5 | Very low | 24.6 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 122.7 | 160.4 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 895 | S | 27.2 | Very low | 24.6 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -169.9 | 121.6 | 145.3 | -94 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 896 | I | 24.2 | Very low | 24.8 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -139.1 | 122.6 | 179.4 | -61.1 | 177.5 | 0 | 0 | 0 | 109.7 | ||||
| 897 | E | 26.1 | Very low | 25 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -126.7 | 118.5 | 146.7 | -65.1 | -175.1 | 131.9 | 0 | 0 | 104.7 | ||||
| 898 | L | 25.8 | Very low | 25.3 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | 63.2 | 121.4 | 69.3 | -61.3 | 174.5 | 0 | 0 | 0 | 111.1 | |||||
| 899 | L | 23.3 | Very low | 25.8 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | cis | -144.9 | -157.6 | -2.1 | -91.4 | 170.3 | 0 | 0 | 0 | 107.9 | ||||
| 900 | K | 24.2 | Very low | 25.9 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | cis | -160.6 | 140.1 | 8 | -147 | 165.3 | -172.8 | 175 | 0 | 108.9 | ||||
| 901 | P | 26.1 | Very low | 25.7 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -107.3 | 148.9 | -171.3 | 38.2 | -33.4 | 0 | 0 | 0 | 116.1 | ||||
| 902 | V | 22.9 | Very low | 25.6 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | trans | -151 | 160.4 | 161.5 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 903 | S | 23.3 | Very low | 25.4 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -131.7 | 178.4 | -176.2 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 904 | I | 24.4 | Very low | 25.1 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | cis | -134.1 | -133.2 | 21.3 | -16.9 | 174.9 | 0 | 0 | 0 | 111 | ||||
| 905 | N | 25.7 | Very low | 25.1 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -158.8 | 176.1 | 5.5 | -151.3 | 4.1 | 0 | 0 | 0 | 114.8 | ||||
| 906 | S | 27 | Very low | 24.9 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | -49.5 | 162.6 | 163.3 | 59.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 907 | S | 27.5 | Very low | 24.9 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | cis | -170.5 | -159.2 | -5.8 | 50.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 908 | Q | 27.8 | Very low | 24.8 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | cis | -156.7 | 174.9 | 10.5 | -126.3 | -160.8 | 23.7 | 0 | 0 | 109.7 | ||||
| 909 | P | 33.9 | Very low | 24.9 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -117 | 163.8 | -164.4 | 42.5 | -35.8 | 0 | 0 | 0 | 119.1 | ||||
| 910 | V | 25.1 | Very low | 24.9 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -155.8 | 141.9 | 161.5 | -177.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 911 | D | 21.9 | Very low | 25.8 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | cis | 111.6 | 158 | 4.5 | -164.5 | 38.4 | 0 | 0 | 0 | 117 | ||||
| 912 | I | 21.7 | Very low | 25.7 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | trans | 91.9 | 122.7 | 164.7 | -54.5 | -176.7 | 0 | 0 | 0 | 119.6 | ||||
| 913 | K | 23.2 | Very low | 25.8 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 67.9 | 125.5 | 164.2 | -73.2 | 162.1 | -171.6 | 169.3 | 0 | 117.7 | ||||
| 914 | I | 21.5 | Very low | 25.9 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | cis | 81.4 | 100.6 | 26.6 | -48.5 | 170 | 0 | 0 | 0 | 115.7 | ||||
| 915 | S | 24.3 | Very low | 26.4 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -166.3 | 112.4 | 142.4 | -82.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 916 | R | 22.8 | Very low | 26.6 | Very low | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | 80.6 | 82.1 | 81.6 | -84.7 | -168.4 | 172 | -170.7 | -0.1 | 115.7 | |||||
| 917 | R | 24.8 | Very low | 26.4 | Very low | 230 Ų | 230 | 146.8 Ų | 146.8 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -169.4 | 134.8 | 132.6 | -112.8 | 166.8 | 176.8 | 166.1 | -0.7 | 107.2 | ||||
| 918 | L | 23.9 | Very low | 26.5 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | cis | 62.4 | 122.8 | 43.1 | -62.6 | 170.3 | 0 | 0 | 0 | 110.9 | ||||
| 919 | D | 27 | Very low | 26.5 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | cis | -133 | 178.6 | 25.4 | -74.9 | -68.9 | 0 | 0 | 0 | 115.1 | ||||
| 920 | N | 23.8 | Very low | 26 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -122.9 | -149.5 | 174.1 | -161.2 | 4.5 | 0 | 0 | 0 | 109.5 | ||||
| 921 | P | 43.1 | Very low | 26.1 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 59% | 0.591 | 77% | 0.769 | S | S | * | * | trans | -107 | -170.5 | -132 | 38.8 | -21.9 | 0 | 0 | 0 | 114.9 | ||||
| 922 | N | 24 | Very low | 26.3 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 82.2 | 105.9 | 171.8 | -58.2 | -21.6 | 0 | 0 | 0 | 117.9 | ||||
| 923 | S | 25.7 | Very low | 27.1 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -159.8 | 122.1 | 144.6 | -65.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 924 | L | 24.8 | Very low | 27.6 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | 67.3 | 99.3 | 64.2 | -67.7 | 167.6 | 0 | 0 | 0 | 113.1 | |||||
| 925 | I | 35.9 | Very low | 27.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -63.6 | 134.5 | 167.4 | -60.4 | 157.1 | 0 | 0 | 0 | 108.8 | ||||
| 926 | P | 28.2 | Very low | 27.8 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | -141.9 | 144.5 | 121.6 | 36.4 | -23.6 | 0 | 0 | 0 | 114.2 | |||||
| 927 | I | 24.3 | Very low | 27.9 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | 58.5 | 103.6 | 150.8 | -54 | 159.3 | 0 | 0 | 0 | 116.4 | ||||
| 928 | G | 27.9 | Very low | 27.8 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 173.6 | 117.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 929 | S | 29.3 | Very low | 27.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -18.7 | 129.2 | 171.1 | 49.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 930 | G | 23.9 | Very low | 27.8 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | cis | 74.2 | 41 | 5.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 931 | S | 26.5 | Very low | 28.1 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -150.6 | 121.2 | 152.9 | 54.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 932 | V | 25.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 62.3 | 100.9 | 58.1 | -171.8 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 933 | Y | 38.2 | Very low | 27.7 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | 45.6 | 133.7 | 91.7 | -73.5 | -78.8 | 0 | 0 | 0 | 111.4 | |||||
| 934 | P | 34.3 | Very low | 28 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | cis | -144.8 | -169.8 | 43.2 | 41.8 | -21.8 | 0 | 0 | 0 | 114.6 | ||||
| 935 | N | 25.3 | Very low | 28.2 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | trans | 27.2 | 149 | 139.7 | -61.9 | 19.7 | 0 | 0 | 0 | 123 | ||||
| 936 | E | 24.7 | Very low | 27.9 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | 80 | 143.5 | 136.9 | -86.8 | 162.7 | -116.6 | 0 | 0 | 120.3 | ||||
| 937 | F | 24.9 | Very low | 27.9 | Very low | 173 Ų | 173 | 130.1 Ų | 130.1 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 47.5 | 112.7 | 172.4 | -60 | -76.2 | 0 | 0 | 0 | 117.9 | ||||
| 938 | T | 23.4 | Very low | 28.2 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | 73.8 | 130.2 | 63.4 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 939 | V | 23.3 | Very low | 28 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | 58.7 | 150.4 | 174.3 | -73 | 0 | 0 | 0 | 0 | 118 | ||||
| 940 | H | 27 | Very low | 28 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | cis | -123 | 167.4 | -4.1 | -77.9 | -79.3 | 0 | 0 | 0 | 108.7 | ||||
| 941 | S | 30.7 | Very low | 28 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | cis | -144.8 | 129.3 | 22.2 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 942 | L | 25.1 | Very low | 28 | Very low | 146 Ų | 146 | 136 Ų | 136 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -56.5 | 171.8 | 151.8 | -83.5 | 163.5 | 0 | 0 | 0 | 111.9 | ||||
| 943 | P | 32.6 | Very low | 28.1 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | cis | -130.9 | -176.4 | 26.6 | 42.7 | -23.9 | 0 | 0 | 0 | 114.5 | ||||
| 944 | E | 31.6 | Very low | 27.5 | Very low | 157 Ų | 157 | 127 Ų | 127 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | cis | -153 | 146.2 | 14.8 | -141 | 138.1 | -113.8 | 0 | 0 | 110.5 | ||||
| 945 | N | 29.4 | Very low | 27.2 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | trans | 37.6 | 148.5 | 136.8 | -63.1 | 44 | 0 | 0 | 0 | 121.7 | ||||
| 946 | D | 30 | Very low | 27.2 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | cis | -165.8 | 158.9 | -1.9 | -104.6 | -20.6 | 0 | 0 | 0 | 110.9 | ||||
| 947 | E | 28.2 | Very low | 27.2 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | 58.4 | 154.3 | 151.4 | -67.6 | -171.3 | 163.2 | 0 | 0 | 120.5 | ||||
| 948 | V | 29.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | cis | -147.8 | 170.4 | -0.1 | 102.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 949 | L | 25 | Very low | 27.5 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -62.4 | 176.5 | 177 | -64.3 | 104.5 | 0 | 0 | 0 | 114.2 | ||||
| 950 | V | 28.4 | Very low | 27.6 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | cis | -155.1 | 158.6 | 35.5 | -167.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 951 | N | 25.2 | Very low | 27.7 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -78 | 157.4 | 171.1 | -63.6 | -44 | 0 | 0 | 0 | 113.3 | ||||
| 952 | G | 26.4 | Very low | 27.8 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | trans | 178.2 | 72.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 953 | A | 26.1 | Very low | 28.1 | Very low | 51 Ų | 51 | 124.7 Ų | 124.7 | 42% | 0.421 | 73% | 0.734 | S | S | . | * | trans | -11 | 154.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | Q983 | A953-Q983 HydrophobicContact CB-CB 3.44Å; A953-Q983 VanDerWaalsContact CB-CB 3.44Å | ||
| 954 | V | 25.6 | Very low | 28.6 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 58% | 0.582 | 74% | 0.737 | S | S | * | * | trans | 107.1 | 131.5 | 159.1 | -171.1 | 0 | 0 | 0 | 0 | 117.6 | Q983 | V954-Q983 HydrophobicContact CG2-CB 4.16Å; V954-Q983 HydrophobicContact CG2-CG 4.38Å | ||
| 955 | S | 28.8 | Very low | 28.7 | Very low | 90 Ų | 90 | 124 Ų | 124 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | -68 | 147.7 | -179.4 | -39.1 | 0 | 0 | 0 | 0 | 113.1 | Q983 | S955-Q983 PolarHBondContact OG-NE2 3.22Š| ||
| 956 | L | 25.2 | Very low | 28.8 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -154.9 | 178.5 | 144.9 | -113.5 | 171.1 | 0 | 0 | 0 | 111.3 | ||||
| 957 | T | 24.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | trans | -72.3 | 169.9 | -175.1 | 49.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 958 | S | 27.9 | Very low | 29.1 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | trans | -22.8 | 155.8 | 135.4 | 28.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 959 | D | 26.6 | Very low | 29.3 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | cis | -161.5 | -170.7 | 12.4 | -122.3 | -34.8 | 0 | 0 | 0 | 112.7 | ||||
| 960 | S | 26.7 | Very low | 29.7 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | 82.8 | 120.7 | 149.9 | 66.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 961 | D | 28.9 | Very low | 29.9 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | trans | -106.4 | 144.2 | 138.7 | -98.2 | -36.9 | 0 | 0 | 0 | 108.1 | ||||
| 962 | D | 32.6 | Very low | 30.2 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | trans | -49.5 | 135.6 | -168.8 | -65.5 | -54 | 0 | 0 | 0 | 119.1 | ||||
| 963 | S | 30.5 | Very low | 30.4 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | -168.1 | 151.3 | 111.5 | 26.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 964 | P | 43.6 | Very low | 30.7 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | trans | -123.5 | 159.6 | -142 | 40.4 | -29.1 | 0 | 0 | 0 | 117.1 | ||||
| 965 | N | 33.2 | Very low | 31.5 | Very low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | 175 | 143.2 | 115.4 | -92.6 | -2.5 | 0 | 0 | 0 | 114.5 | |||||
| 966 | E | 32.6 | Very low | 31.7 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | 55.6 | 138.6 | 143.9 | -64.2 | 178.5 | 167.3 | 0 | 0 | 120.9 | ||||
| 967 | C | 30.8 | Very low | 32 | Very low | 101 Ų | 101 | 126 Ų | 126 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | cis | -170 | 150.9 | -14.5 | -124.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 968 | N | 33.7 | Very low | 32.4 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | trans | 65.3 | 155.5 | 154.6 | -68 | 38.3 | 0 | 0 | 0 | 117.7 | ||||
| 969 | D | 33.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -168 | 167.3 | -8.1 | -93.1 | -19.8 | 0 | 0 | 0 | 105.8 | ||||
| 970 | L | 33.3 | Very low | 33 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | cis | -174.1 | 162.9 | -15.6 | -89 | 164.2 | 0 | 0 | 0 | 104.9 | ||||
| 971 | N | 32.1 | Very low | 33.2 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | cis | -174.8 | -178.5 | -22.5 | -169.6 | 2.9 | 0 | 0 | 0 | 108 | ||||
| 972 | F | 32.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | 76.2 | 144.3 | 166.7 | -58 | -76.8 | 0 | 0 | 0 | 119.2 | ||||
| 973 | S | 31.1 | Very low | 33.1 | Very low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | cis | 178.7 | 114.7 | -27.6 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 974 | T | 30.7 | Very low | 33 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | 67.4 | 160.2 | 81.8 | 60.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 975 | P | 43 | Very low | 32.2 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | cis | -141.5 | -164.8 | -29.8 | 32.7 | -9.6 | 0 | 0 | 0 | 115.6 | ||||
| 976 | L | 33.2 | Very low | 31.8 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 89% | 0.89 | 70% | 0.702 | S | S | * | * | trans | 110.7 | 130.5 | 155.6 | -60.8 | 169.6 | 0 | 0 | 0 | 117.2 | ||||
| 977 | G | 31.9 | Very low | 31.5 | Very low | 63 Ų | 63 | 118 Ų | 118 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | cis | 176.4 | 156.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 978 | E | 32.7 | Very low | 31.2 | Very low | 192 Ų | 192 | 120.2 Ų | 120.2 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | trans | 64.4 | 144.2 | 163.5 | -59 | 175.2 | -171.3 | 0 | 0 | 118.8 | ||||
| 979 | S | 35.2 | Very low | 31 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | cis | -170.3 | -179.1 | -14.3 | 55.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 980 | V | 31.5 | Very low | 30.6 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | cis | -138.1 | -112.3 | 7.4 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 981 | S | 31.1 | Very low | 30.2 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -157.1 | 170.5 | -174.2 | 59 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 982 | G | 30.6 | Very low | 29.8 | Very low | 55 Ų | 55 | 127.2 Ų | 127.2 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | cis | 165.9 | 141.4 | -13.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 983 | Q | 29.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 48% | 0.477 | 73% | 0.732 | S | S | . | * | trans | 54.2 | 159.8 | 137.3 | -97.1 | -157.7 | 28.2 | 0 | 0 | 122.9 | A953 V954 S955 | A953-Q983 HydrophobicContact CB-CB 3.44Å; A953-Q983 VanDerWaalsContact CB-CB 3.44Å; V954-Q983 HydrophobicContact CG2-CB 4.16Å; V954-Q983 HydrophobicContact CG2-CG 4.38Å; S955-Q983 PolarHBondContact OG-NE2 3.22Å | ||
| 984 | V | 27.2 | Very low | 29.1 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | cis | -157.9 | 159.9 | 7.9 | 83.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 985 | L | 26.8 | Very low | 29 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | 20.3 | 151.5 | 151.7 | -68.5 | 167.3 | 0 | 0 | 0 | 122.9 | ||||
| 986 | S | 26.1 | Very low | 28.3 | Very low | 87 Ų | 87 | 129.1 Ų | 129.1 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | cis | -171.3 | 163.9 | -5.5 | 58 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 987 | T | 26 | Very low | 28.2 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | 75.4 | 137.4 | 157.6 | 69.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 988 | N | 24.5 | Very low | 28 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | 86.6 | 123.2 | 146.5 | -71.5 | -29.4 | 0 | 0 | 0 | 123.2 | ||||
| 989 | K | 28.5 | Very low | 27.8 | Very low | 197 Ų | 197 | 127.7 Ų | 127.7 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | 79.9 | 142.5 | 153.9 | -68.4 | -176.8 | 177.3 | -178.1 | 0 | 121 | ||||
| 990 | T | 25.2 | Very low | 27.4 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | -54.8 | 162 | 160.6 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 991 | E | 24.5 | Very low | 27.2 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | cis | -155.1 | -171.7 | 36.7 | -151.9 | 156.1 | -140.7 | 0 | 0 | 114.6 | ||||
| 992 | I | 23.4 | Very low | 27 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | -88 | 140.2 | -161.1 | -62.4 | 153.7 | 0 | 0 | 0 | 114.3 | ||||
| 993 | S | 24.9 | Very low | 26.8 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -178.6 | 108 | 130.4 | 54.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 994 | I | 25.1 | Very low | 26.7 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -7 | 132.4 | 156.4 | -58.8 | 166.9 | 0 | 0 | 0 | 121.7 | ||||
| 995 | F | 28.5 | Very low | 26.6 | Very low | 214 Ų | 214 | 142.1 Ų | 142.1 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | trans | -167.8 | 159.6 | 132.1 | -92.5 | -69.4 | 0 | 0 | 0 | 109.3 | ||||
| 996 | G | 27.6 | Very low | 26.5 | Very low | 58 Ų | 58 | 141.6 Ų | 141.6 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | cis | 160.3 | 110.9 | -15.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 997 | H | 31.2 | Very low | 26.4 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | 63.8 | 150.3 | 175.2 | -71 | -63.2 | 0 | 0 | 0 | 117.6 | ||||
| 998 | N | 28.3 | Very low | 26.3 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | cis | -159.2 | 151.1 | -4.3 | -122.3 | -9.8 | 0 | 0 | 0 | 110.5 | ||||
| 999 | G | 29 | Very low | 26.4 | Very low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 137.5 | 84.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1000 | S | 26.8 | Very low | 26.3 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 51.1 | 135.6 | 145.1 | 60 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1001 | E | 26.6 | Very low | 26.3 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 86.6 | 121.1 | 158.6 | -64.4 | -143.7 | 176.8 | 0 | 0 | 121.5 | ||||
| 1002 | K | 26.7 | Very low | 26.3 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | trans | 61.1 | 81.1 | 152.9 | -58.3 | -171.9 | -174.4 | 89.5 | 0 | 120 | ||||
| 1003 | S | 27 | Very low | 26.5 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 134.1 | 141.6 | -163.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1004 | Q | 27.5 | Very low | 26.6 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | 52.4 | 104.3 | 68.2 | -93.8 | -175.6 | -21.7 | 0 | 0 | 114.6 | |||||
| 1005 | D | 25.2 | Very low | 26.8 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 74.8 | 149 | 153.4 | -106.3 | -40.1 | 0 | 0 | 0 | 124.4 | ||||
| 1006 | I | 23.7 | Very low | 27 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | 69.9 | 97.5 | 159.5 | -61.9 | 164.8 | 0 | 0 | 0 | 119.3 | ||||
| 1007 | T | 24.5 | Very low | 27.3 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 65.6 | 116.7 | 133.9 | -55.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1008 | S | 24 | Very low | 27.5 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -167.3 | 73.8 | 135.7 | 39.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1009 | T | 27.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -139.6 | 61.2 | 158.6 | -43.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1010 | I | 25.2 | Very low | 28.6 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | -109.7 | 102.7 | 161.6 | -61.6 | 179.7 | 0 | 0 | 0 | 107.2 | ||||
| 1011 | S | 24.8 | Very low | 29.1 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | -144.6 | 122.7 | 172.1 | 59.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1012 | R | 25 | Very low | 29.6 | Very low | 239 Ų | 239 | 129 Ų | 129 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | trans | 61.5 | 87.6 | 178 | -61.5 | 176.4 | 174.2 | 158.8 | -2.3 | 115.5 | ||||
| 1013 | V | 27.9 | Very low | 30.1 | Very low | 124 Ų | 124 | 122 Ų | 122 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | trans | -106.1 | 137.4 | 145.6 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1014 | N | 27.8 | Very low | 30.6 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 62% | 0.62 | 63% | 0.634 | S | S | * | * | trans | -80.7 | 126.8 | -179.9 | -67.1 | 1.2 | 0 | 0 | 0 | 110.6 | E1016 S1017 | N1014-E1016 VanDerWaalsContact C-N 3.28Å; N1014-E1016 PolarHBondContact O-N 3Å; N1014-S1017 PolarHBondContact O-OG 3.19Å | ||
| 1015 | E | 28.5 | Very low | 31.1 | Very low | 179 Ų | 179 | 113.3 Ų | 113.3 | 84% | 0.836 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -72.5 | -17.1 | -176.3 | -64 | -179.3 | 128 | 0 | 0 | 113.8 | S1017 | E1015-S1017 PolarHBondContact O-N 3.5Š|
| 1016 | E | 32.1 | Very low | 31.7 | Very low | 183 Ų | 183 | 108.2 Ų | 108.2 | 86% | 0.855 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -66.3 | 11.2 | 177.7 | -58.8 | -179.1 | 130.1 | 0 | 0 | 115.1 | N1014 | N1014-E1016 VanDerWaalsContact C-N 3.28Å; N1014-E1016 PolarHBondContact O-N 3Å |
| 1017 | S | 35.3 | Very low | 32.2 | Very low | 74 Ų | 74 | 103 Ų | 103 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -110.9 | -4.7 | -172.5 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | N1014 E1015 | N1014-S1017 PolarHBondContact O-OG 3.19Å; E1015-S1017 PolarHBondContact O-N 3.5Å |
| 1018 | L | 34.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 100.7 Ų | 100.7 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -87 | -32.3 | -179.6 | -77.8 | 162.2 | 0 | 0 | 0 | 114.4 | A1021 F1022 | L1018-A1021 WeakPolarHBondContact O-CB 3.07Å; L1018-A1021 PolarHBondContact O-N 3.25Å; L1018-F1022 PolarHBondContact O-N 2.96Å |
| 1019 | D | 42.2 | Very low | 33.6 | Very low | 82 Ų | 82 | 97 Ų | 97 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -53.7 | -173.6 | -80.1 | 11.5 | 0 | 0 | 0 | 113 | H117 A1021 F1022 V1023 | H117-D1019 IonicContact CE1-OD1 3.19Å; H117-D1019 PolarHBondContact CE1-OD1 2.89Å; H117-D1019 IonicContact NE2-OD1 3.95Å; D1019-A1021 VanDerWaalsContact C-N 3.27Å; D1019-A1021 PolarHBondContact O-N 2.83Å; D1019-F1022 PolarHBondContact O-N 3.33Å; D1019-V1023 PolarHBondContact O-N 3.19Å |
| 1020 | E | 38.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 92.3 Ų | 92.3 | 72% | 0.724 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.1 | -36.5 | 174.1 | -78.7 | -151.7 | 137.7 | 0 | 0 | 111.4 | T1024 | E1020-T1024 VanDerWaalsContact O-CB 3.3Å; E1020-T1024 WeakPolarHBondContact O-CB 3.39Å; E1020-T1024 PolarHBondContact O-N 3.41Å; E1020-T1024 PolarHBondContact O-OG1 2.66Å |
| 1021 | A | 36.9 | Very low | 34.8 | Very low | 34 Ų | 34 | 87.7 Ų | 87.7 | 28% | 0.281 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1018 D1019 V1023 T1024 K1025 | L1018-A1021 WeakPolarHBondContact O-CB 3.07Å; L1018-A1021 PolarHBondContact O-N 3.25Å; D1019-A1021 VanDerWaalsContact C-N 3.27Å; D1019-A1021 PolarHBondContact O-N 2.83Å; A1021-V1023 PolarHBondContact O-N 3.42Å; A1021-T1024 PolarHBondContact O-N 3.21Å; A1021-K1025 VanDerWaalsContact O-CB 3.32Å; A1021-K1025 WeakPolarHBondContact O-CB 3.45Å; A1021-K1025 WeakPolarHBondContact O-CD 3.27Å; A1021-K1025 WeakPolarHBondContact O-CG 3.43Å; A1021-K1025 PolarHBondContact O-N 2.92Å |
| 1022 | F | 39 | Very low | 35.3 | Very low | 21 Ų | 21 | 87 Ų | 87 | 9% | 0.092 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | -179 | -172.3 | -79.4 | 0 | 0 | 0 | 112.6 | P10 L110 N113 L120 L1018 D1019 T1024 K1025 L1026 | P10-F1022 HydrophobicContact CB-CE2 4.47Å; P10-F1022 HydrophobicContact CG-CD2 4.36Å; P10-F1022 HydrophobicContact CG-CE2 3.59Å; P10-F1022 HydrophobicContact CG-CZ 3.86Å; L110-F1022 HydrophobicContact CD2-CZ 3.87Å; N113-F1022 HydrophobicContact CB-CE2 4.3Å; L120-F1022 HydrophobicContact CD1-CD1 3.92Å; L120-F1022 HydrophobicContact CD1-CD2 4.35Å; L120-F1022 HydrophobicContact CD1-CE1 3.45Å; L120-F1022 VanDerWaalsContact CD1-CE1 3.45Å; L120-F1022 HydrophobicContact CD1-CE2 3.91Å; L120-F1022 HydrophobicContact CD1-CG 4.36Å; L120-F1022 HydrophobicContact CD1-CZ 3.44Å; L120-F1022 VanDerWaalsContact CD1-CZ 3.44Å; L120-F1022 HydrophobicContact CD2-CD1 3.9Å; L120-F1022 HydrophobicContact CD2-CE1 3.51Å; L120-F1022 HydrophobicContact CD2-CZ 4.29Å; L120-F1022 HydrophobicContact CG-CE1 4.15Å; L1018-F1022 PolarHBondContact O-N 2.96Å; D1019-F1022 PolarHBondContact O-N 3.33Å; F1022-T1024 VanDerWaalsContact C-N 3.34Å; F1022-T1024 PolarHBondContact O-N 2.93Å; F1022-K1025 WeakPolarHBondContact O-CB 3.31Å; F1022-K1025 PolarHBondContact O-N 2.78Å; F1022-L1026 HydrophobicContact CD1-CD1 4.27Å; F1022-L1026 HydrophobicContact CE1-CD1 3.65Å; F1022-L1026 HydrophobicContact CZ-CD1 4.42Å; F1022-L1026 PolarHBondContact O-N 3.42Å |
| 1023 | V | 36.6 | Very low | 35.8 | Very low | 40 Ų | 40 | 80 Ų | 80 | 24% | 0.242 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62 | -42.6 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | D1019 A1021 K1025 L1026 S1027 L1035 W1038 | D1019-V1023 PolarHBondContact O-N 3.19Å; A1021-V1023 PolarHBondContact O-N 3.42Å; V1023-K1025 VanDerWaalsContact C-N 3.33Å; V1023-K1025 PolarHBondContact O-N 3.04Å; V1023-L1026 PolarHBondContact O-N 3.2Å; V1023-S1027 PolarHBondContact O-N 3.43Å; V1023-L1035 HydrophobicContact CG1-CD2 4.29Å; V1023-W1038 HydrophobicContact CG1-CE3 4.35Å; V1023-W1038 HydrophobicContact CG1-CH2 4.41Å; V1023-W1038 HydrophobicContact CG1-CZ3 3.69Å; V1023-W1038 HydrophobicContact CG2-CH2 4.06Å; V1023-W1038 HydrophobicContact CG2-CZ3 4.08Å |
| 1024 | T | 36.8 | Very low | 36.3 | Very low | 44 Ų | 44 | 74.6 Ų | 74.6 | 27% | 0.27 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75 | -24.6 | -179.3 | -41.2 | 0 | 0 | 0 | 0 | 112.1 | H7 E1020 A1021 F1022 S1027 | H7-T1024 WeakPolarHBondContact CE1-CG2 3.41Å; H7-T1024 VanDerWaalsContact NE2-CG2 3.35Å; H7-T1024 WeakPolarHBondContact NE2-CG2 3.24Å; E1020-T1024 VanDerWaalsContact O-CB 3.3Å; E1020-T1024 WeakPolarHBondContact O-CB 3.39Å; E1020-T1024 PolarHBondContact O-N 3.41Å; E1020-T1024 PolarHBondContact O-OG1 2.66Å; A1021-T1024 PolarHBondContact O-N 3.21Å; F1022-T1024 VanDerWaalsContact C-N 3.34Å; F1022-T1024 PolarHBondContact O-N 2.93Å; T1024-S1027 WeakPolarHBondContact CG2-OG 3.25Å; T1024-S1027 VanDerWaalsContact O-CB 3.25Å; T1024-S1027 WeakPolarHBondContact O-CB 3.34Å; T1024-S1027 PolarHBondContact O-N 2.85Å; T1024-S1027 PolarHBondContact O-OG 3.35Å |
| 1025 | K | 37.6 | Very low | 36.8 | Very low | 59 Ų | 59 | 70.7 Ų | 70.7 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -31.8 | 170.2 | -72.5 | 166.1 | 152.5 | -110.5 | 0 | 113.5 | H7 F8 A1021 F1022 V1023 S1027 | H7-K1025 HydrophobicContact CB-CB 4.5Å; H7-K1025 HydrophobicContact CB-CG 4.08Å; F8-K1025 VanDerWaalsContact O-CB 3.27Å; F8-K1025 WeakPolarHBondContact O-CB 3.49Å; F8-K1025 WeakPolarHBondContact O-CD 3.45Å; F8-K1025 WeakPolarHBondContact O-CE 3.38Å; F8-K1025 WeakPolarHBondContact O-CG 3.4Å; F8-K1025 PolarHBondContact O-NZ 3.45Å; A1021-K1025 VanDerWaalsContact O-CB 3.32Å; A1021-K1025 WeakPolarHBondContact O-CB 3.45Å; A1021-K1025 WeakPolarHBondContact O-CD 3.27Å; A1021-K1025 WeakPolarHBondContact O-CG 3.43Å; A1021-K1025 PolarHBondContact O-N 2.92Å; F1022-K1025 WeakPolarHBondContact O-CB 3.31Å; F1022-K1025 PolarHBondContact O-N 2.78Å; V1023-K1025 VanDerWaalsContact C-N 3.33Å; V1023-K1025 PolarHBondContact O-N 3.04Å; K1025-S1027 VanDerWaalsContact C-N 3.29Å |
| 1026 | L | 37.9 | Very low | 37.1 | Very low | 42 Ų | 42 | 66.3 Ų | 66.3 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.7 | 166.8 | -75.3 | 167 | 0 | 0 | 0 | 113 | L9 F1022 V1023 | L9-L1026 HydrophobicContact CD2-CD2 4.39Å; F1022-L1026 HydrophobicContact CD1-CD1 4.27Å; F1022-L1026 HydrophobicContact CE1-CD1 3.65Å; F1022-L1026 HydrophobicContact CZ-CD1 4.42Å; F1022-L1026 PolarHBondContact O-N 3.42Å; V1023-L1026 PolarHBondContact O-N 3.2Å |
| 1027 | S | 34.6 | Very low | 37.3 | Very low | 32 Ų | 32 | 59.2 Ų | 59.2 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -26.1 | -172 | 83.3 | 0 | 0 | 0 | 0 | 116 | V1023 T1024 K1025 L1029 L1030 | V1023-S1027 PolarHBondContact O-N 3.43Å; T1024-S1027 WeakPolarHBondContact CG2-OG 3.25Å; T1024-S1027 VanDerWaalsContact O-CB 3.25Å; T1024-S1027 WeakPolarHBondContact O-CB 3.34Å; T1024-S1027 PolarHBondContact O-N 2.85Å; T1024-S1027 PolarHBondContact O-OG 3.35Å; K1025-S1027 VanDerWaalsContact C-N 3.29Å; S1027-L1029 VanDerWaalsContact C-N 3.32Å; S1027-L1029 PolarHBondContact O-N 2.8Å; S1027-L1030 VanDerWaalsContact O-O 3.06Å |
| 1028 | E | 37.8 | Very low | 37.3 | Very low | 68 Ų | 68 | 59.1 Ų | 59.1 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -18.5 | -178.1 | -70.3 | -171.8 | 173.4 | 0 | 0 | 114.1 | H7 R31 | H7-E1028 HydrophobicContact CB-CG 4.06Å; H7-E1028 IonicContact CD2-OE1 3.69Å; H7-E1028 PolarHBondContact CD2-OE1 3.22Å; H7-E1028 IonicContact CG-OE1 2.72Å; H7-E1028 PolarHBondContact N-OE1 2.77Å; H7-E1028 VanDerWaalsContact O-OE2 3.09Å; R31-E1028 IonicContact CZ-OE2 3.44Å; R31-E1028 VanDerWaalsContact CZ-OE2 3.28Å; R31-E1028 IonicContact NH1-OE2 3.48Å; R31-E1028 PolarHBondContact NH1-OE2 3.31Å; R31-E1028 IonicContact NH2-OE2 2.81Å; R31-E1028 PolarHBondContact NH2-OE2 2.75Å |
| 1029 | L | 40.1 | Very low | 37.3 | Very low | 39 Ų | 39 | 59.9 Ų | 59.9 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -1.1 | 179.4 | -82.3 | 153.3 | 0 | 0 | 0 | 113.5 | L9 Y30 L452 S1027 | L9-L1029 HydrophobicContact CD1-CD1 3.5Å; L9-L1029 HydrophobicContact CD2-CD1 3.67Å; L9-L1029 HydrophobicContact CG-CD1 3.73Å; Y30-L1029 HydrophobicContact CE1-CD1 3.96Å; Y30-L1029 HydrophobicContact CE1-CD2 4.44Å; L452-L1029 HydrophobicContact CD2-CD1 4.12Å; S1027-L1029 VanDerWaalsContact C-N 3.32Å; S1027-L1029 PolarHBondContact O-N 2.8Å |
| 1030 | L | 38 | Very low | 37.1 | Very low | 34 Ų | 34 | 58.9 Ų | 58.9 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -105.5 | 146.6 | 168.6 | -75 | 169 | 0 | 0 | 0 | 108.9 | L479 N485 S1027 D1034 | L479-L1030 HydrophobicContact CD1-CD2 3.6Å; L479-L1030 HydrophobicContact CD1-CG 4.23Å; L479-L1030 HydrophobicContact CG-CD2 4.19Å; N485-L1030 WeakPolarHBondContact ND2-CD2 3.34Å; S1027-L1030 VanDerWaalsContact O-O 3.06Å; L1030-D1034 HydrophobicContact CB-CB 4.39Å |
| 1031 | I | 39.8 | Very low | 37.2 | Very low | 61 Ų | 61 | 57.3 Ų | 57.3 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | trans | -64.9 | 130.3 | 177.2 | -65.6 | 172.5 | 0 | 0 | 0 | 107.1 | E1033 D1034 | I1031-E1033 PolarHBondContact O-N 3.16Å; I1031-D1034 PolarHBondContact O-N 3.12Å | ||
| 1032 | P | 34.8 | Very low | 37.2 | Very low | 79 Ų | 79 | 61.4 Ų | 61.4 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 7.8 | -163.8 | -27.1 | 35.1 | 0 | 0 | 0 | 117.9 | ||
| 1033 | E | 36.4 | Very low | 37 | Very low | 93 Ų | 93 | 65.9 Ų | 65.9 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -34.3 | 171 | -57.3 | -155.2 | 172.6 | 0 | 0 | 112.5 | W486 T487 K525 I1031 L1035 L1036 A1037 | W486-E1033 HydrophobicContact CH2-CB 4.34Å; W486-E1033 HydrophobicContact CZ2-CB 4.45Å; W486-E1033 VanDerWaalsContact CZ2-O 3.31Å; W486-E1033 WeakPolarHBondContact CZ2-O 3.41Å; T487-E1033 HydrophobicContact CG2-CB 3.87Å; K525-E1033 VanDerWaalsContact NZ-CD 3.35Å; K525-E1033 IonicContact NZ-OE1 3.05Å; K525-E1033 PolarHBondContact NZ-OE1 3.1Å; I1031-E1033 PolarHBondContact O-N 3.16Å; E1033-L1035 PolarHBondContact O-N 2.98Å; E1033-L1036 PolarHBondContact O-N 2.9Å; E1033-A1037 PolarHBondContact O-N 3.38Å; E1033-A1037 VanDerWaalsContact O-N 3.1Å |
| 1034 | D | 37.7 | Very low | 36.6 | Very low | 9 Ų | 9 | 72.9 Ų | 72.9 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -47.6 | -51.6 | 179 | -84.7 | -42.4 | 0 | 0 | 0 | 110.5 | K443 N485 W486 T487 L1030 I1031 W1038 | K443-D1034 IonicContact NZ-OD2 3.36Å; K443-D1034 PolarHBondContact NZ-OD2 2.96Å; N485-D1034 VanDerWaalsContact CG-OD1 3.27Å; N485-D1034 VanDerWaalsContact ND2-CG 3.31Å; N485-D1034 PolarHBondContact ND2-OD1 2.93Å; N485-D1034 PolarHBondContact ND2-OD2 2.81Å; N485-D1034 PolarHBondContact OD1-OD1 3.47Å; N485-D1034 PolarHBondContact OD1-OD2 2.85Å; W486-D1034 PolarHBondContact NE1-O 3.25Å; T487-D1034 VanDerWaalsContact CB-OD1 3.29Å; T487-D1034 WeakPolarHBondContact CB-OD1 3.47Å; T487-D1034 HydrophobicContact CG2-CB 4.33Å; T487-D1034 WeakPolarHBondContact CG2-OD1 3.32Å; T487-D1034 PolarHBondContact N-OD1 2.99Å; T487-D1034 PolarHBondContact OG1-OD1 3.13Å; T487-D1034 PolarHBondContact OG1-OD2 2.65Å; L1030-D1034 HydrophobicContact CB-CB 4.39Å; I1031-D1034 PolarHBondContact O-N 3.12Å; D1034-W1038 PolarHBondContact O-N 2.78Å; D1034-W1038 VanDerWaalsContact O-N 3.12Å |
| 1035 | L | 37.3 | Very low | 36.4 | Very low | 35 Ų | 35 | 75.5 Ų | 75.5 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -82.7 | -19.7 | 179.1 | -76.6 | 167.3 | 0 | 0 | 0 | 114.5 | V1023 E1033 A1037 W1038 R1039 | V1023-L1035 HydrophobicContact CG1-CD2 4.29Å; E1033-L1035 PolarHBondContact O-N 2.98Å; L1035-A1037 VanDerWaalsContact C-N 3.3Å; L1035-W1038 HydrophobicContact CD2-CB 4.04Å; L1035-W1038 HydrophobicContact CD2-CD2 4.02Å; L1035-W1038 HydrophobicContact CD2-CE3 3.73Å; L1035-W1038 HydrophobicContact CD2-CG 4.19Å; L1035-W1038 HydrophobicContact CD2-CZ3 4.46Å; L1035-W1038 PolarHBondContact O-N 2.84Å; L1035-R1039 WeakPolarHBondContact O-CB 3.42Å; L1035-R1039 PolarHBondContact O-N 2.79Å |
| 1036 | L | 34.9 | Very low | 35.9 | Very low | 86 Ų | 86 | 82 Ų | 82 | 45% | 0.45 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 172 | -151.5 | 83.5 | 0 | 0 | 0 | 109.9 | E1033 N1040 | E1033-L1036 PolarHBondContact O-N 2.9Å; L1036-N1040 WeakPolarHBondContact O-CB 3.34Å; L1036-N1040 PolarHBondContact O-N 3.19Å; L1036-N1040 PolarHBondContact O-ND2 2.94Å |
| 1037 | A | 36.6 | Very low | 35.4 | Very low | 35 Ų | 35 | 89 Ų | 89 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74 | -40 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | W486 E1033 L1035 N1040 K1041 | W486-A1037 VanDerWaalsContact CE2-CB 3.47Å; W486-A1037 HydrophobicContact CH2-CB 4.22Å; W486-A1037 HydrophobicContact CZ2-CB 3.24Å; E1033-A1037 PolarHBondContact O-N 3.38Å; E1033-A1037 VanDerWaalsContact O-N 3.1Å; L1035-A1037 VanDerWaalsContact C-N 3.3Å; A1037-N1040 CarbonylContact O-C 3.58Å; A1037-N1040 PolarHBondContact O-N 2.94Å; A1037-K1041 WeakPolarHBondContact O-CB 3.46Å; A1037-K1041 PolarHBondContact O-N 2.94Å |
| 1038 | W | 35.1 | Very low | 35.1 | Very low | 71 Ų | 71 | 96.7 Ų | 96.7 | 27% | 0.269 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.3 | -169.4 | 90.7 | 0 | 0 | 0 | 111.6 | V1023 D1034 L1035 K1041 Y1042 F1043 | V1023-W1038 HydrophobicContact CG1-CE3 4.35Å; V1023-W1038 HydrophobicContact CG1-CH2 4.41Å; V1023-W1038 HydrophobicContact CG1-CZ3 3.69Å; V1023-W1038 HydrophobicContact CG2-CH2 4.06Å; V1023-W1038 HydrophobicContact CG2-CZ3 4.08Å; D1034-W1038 PolarHBondContact O-N 2.78Å; D1034-W1038 VanDerWaalsContact O-N 3.12Å; L1035-W1038 HydrophobicContact CD2-CB 4.04Å; L1035-W1038 HydrophobicContact CD2-CD2 4.02Å; L1035-W1038 HydrophobicContact CD2-CE3 3.73Å; L1035-W1038 HydrophobicContact CD2-CG 4.19Å; L1035-W1038 HydrophobicContact CD2-CZ3 4.46Å; L1035-W1038 PolarHBondContact O-N 2.84Å; W1038-K1041 PolarHBondContact O-N 2.9Å; W1038-K1041 VanDerWaalsContact O-N 3.12Å; W1038-Y1042 AromaticContact CD1-CD2 3.94Å; W1038-Y1042 AromaticContact CD1-CE2 3.95Å; W1038-Y1042 HydrophobicContact CD2-CD2 4.23Å; W1038-Y1042 HydrophobicContact CG-CD2 4.14Å; W1038-Y1042 AromaticContact NE1-CD2 3.88Å; W1038-Y1042 AromaticContact NE1-CE2 3.95Å; W1038-Y1042 WeakPolarHBondContact O-CD2 3.34Å; W1038-Y1042 PolarHBondContact O-N 3.47Å; W1038-F1043 HydrophobicContact CE3-CD2 4.43Å; W1038-F1043 HydrophobicContact CE3-CE2 4.49Å; W1038-F1043 AromaticContact CH2-CE2 3.81Å; W1038-F1043 HydrophobicContact CH2-CE2 3.81Å; W1038-F1043 AromaticContact CZ3-CD2 3.95Å; W1038-F1043 HydrophobicContact CZ3-CD2 3.95Å; W1038-F1043 AromaticContact CZ3-CE2 3.63Å; W1038-F1043 HydrophobicContact CZ3-CE2 3.63Å |
| 1039 | R | 34.8 | Very low | 34.6 | Very low | 138 Ų | 138 | 98.7 Ų | 98.7 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 171.8 | -169.1 | -175 | 70.7 | 171.1 | 2.4 | 111.5 | L1035 K1041 F1043 | L1035-R1039 WeakPolarHBondContact O-CB 3.42Å; L1035-R1039 PolarHBondContact O-N 2.79Å; R1039-K1041 PolarHBondContact O-N 3.2Å; R1039-F1043 HydrophobicContact CG-CB 3.96Å; R1039-F1043 CarbonylContact O-C 3.59Å; R1039-F1043 VanDerWaalsContact O-CA 3.27Å; R1039-F1043 WeakPolarHBondContact O-CA 3.37Å; R1039-F1043 PolarHBondContact O-N 3.17Å |
| 1040 | N | 39.3 | Very low | 33.9 | Very low | 61 Ų | 61 | 103.7 Ų | 103.7 | 33% | 0.326 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -22.8 | 175.3 | -78 | -37.9 | 0 | 0 | 0 | 113.7 | L1036 A1037 R1044 | L1036-N1040 WeakPolarHBondContact O-CB 3.34Å; L1036-N1040 PolarHBondContact O-N 3.19Å; L1036-N1040 PolarHBondContact O-ND2 2.94Å; A1037-N1040 CarbonylContact O-C 3.58Å; A1037-N1040 PolarHBondContact O-N 2.94Å; N1040-R1044 VanDerWaalsContact OD1-CZ 3.28Å; N1040-R1044 PolarHBondContact OD1-NE 2.78Å; N1040-R1044 PolarHBondContact OD1-NH2 2.87Å |
| 1041 | K | 39.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 108.9 Ų | 108.9 | 53% | 0.53 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -89.7 | -30.5 | -178.5 | -173.8 | -180 | 178.9 | -161.5 | 0 | 113.3 | A1037 W1038 R1039 | A1037-K1041 WeakPolarHBondContact O-CB 3.46Å; A1037-K1041 PolarHBondContact O-N 2.94Å; W1038-K1041 PolarHBondContact O-N 2.9Å; W1038-K1041 VanDerWaalsContact O-N 3.12Å; R1039-K1041 PolarHBondContact O-N 3.2Å |
| 1042 | Y | 36.5 | Very low | 32.6 | Very low | 121 Ų | 121 | 114.7 Ų | 114.7 | 48% | 0.475 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -121.5 | -21 | -174.8 | -63.1 | -69.6 | 0 | 0 | 0 | 115 | W1038 | W1038-Y1042 AromaticContact CD1-CD2 3.94Å; W1038-Y1042 AromaticContact CD1-CE2 3.95Å; W1038-Y1042 HydrophobicContact CD2-CD2 4.23Å; W1038-Y1042 HydrophobicContact CG-CD2 4.14Å; W1038-Y1042 AromaticContact NE1-CD2 3.88Å; W1038-Y1042 AromaticContact NE1-CE2 3.95Å; W1038-Y1042 WeakPolarHBondContact O-CD2 3.34Å; W1038-Y1042 PolarHBondContact O-N 3.47Å |
| 1043 | F | 34.2 | Very low | 32.2 | Very low | 115 Ų | 115 | 115 Ų | 115 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | trans | -129 | 63.4 | -174.5 | -70 | -86 | 0 | 0 | 0 | 111.9 | W1038 R1039 | W1038-F1043 HydrophobicContact CE3-CD2 4.43Å; W1038-F1043 HydrophobicContact CE3-CE2 4.49Å; W1038-F1043 AromaticContact CH2-CE2 3.81Å; W1038-F1043 HydrophobicContact CH2-CE2 3.81Å; W1038-F1043 AromaticContact CZ3-CD2 3.95Å; W1038-F1043 HydrophobicContact CZ3-CD2 3.95Å; W1038-F1043 AromaticContact CZ3-CE2 3.63Å; W1038-F1043 HydrophobicContact CZ3-CE2 3.63Å; R1039-F1043 HydrophobicContact CG-CB 3.96Å; R1039-F1043 CarbonylContact O-C 3.59Å; R1039-F1043 VanDerWaalsContact O-CA 3.27Å; R1039-F1043 WeakPolarHBondContact O-CA 3.37Å; R1039-F1043 PolarHBondContact O-N 3.17Å | ||
| 1044 | R | 28.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 119.7 Ų | 119.7 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | trans | -117.4 | 93.6 | 165.4 | -82.8 | -170.4 | 172.4 | -151.7 | 0.6 | 111.1 | N1040 | N1040-R1044 VanDerWaalsContact OD1-CZ 3.28Å; N1040-R1044 PolarHBondContact OD1-NE 2.78Å; N1040-R1044 PolarHBondContact OD1-NH2 2.87Å | ||
| 1045 | S | 32.8 | Very low | 31.3 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 62% | 0.616 | S | S | * | * | trans | -131.7 | 129.7 | 161.8 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | Y1047 | S1045-Y1047 VanDerWaalsContact C-N 3.35Å; S1045-Y1047 PolarHBondContact O-N 3.26Å | ||
| 1046 | E | 27.8 | Very low | 30.9 | Very low | 194 Ų | 194 | 128 Ų | 128 | 91% | 0.907 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -84.3 | 67.7 | -173.1 | -63.1 | -179 | 128.2 | 0 | 0 | 111.7 | ||
| 1047 | Y | 27.4 | Very low | 30.8 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 75% | 0.745 | 66% | 0.663 | S | S | * | * | trans | -131.2 | 3.1 | -173.2 | -106.4 | -83.7 | 0 | 0 | 0 | 118.1 | S1045 S1049 | S1045-Y1047 VanDerWaalsContact C-N 3.35Å; S1045-Y1047 PolarHBondContact O-N 3.26Å; Y1047-S1049 PolarHBondContact O-N 3.33Å | ||
| 1048 | F | 27.5 | Very low | 30.4 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 44 | -179.3 | -98.5 | -82 | 0 | 0 | 0 | 115.2 | ||
| 1049 | S | 26.5 | Very low | 30.1 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -7.3 | -178.9 | -52.8 | 0 | 0 | 0 | 0 | 115.2 | Y1047 | Y1047-S1049 PolarHBondContact O-N 3.33Š|
| 1050 | N | 26.2 | Very low | 29.9 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -129.5 | 5.1 | -163.3 | -84.2 | -32.2 | 0 | 0 | 0 | 116.6 | ||
| 1051 | I | 26.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | -112.3 | 52.9 | -177.9 | -42.8 | -176.2 | 0 | 0 | 0 | 111.7 | ||||
| 1052 | L | 25.2 | Very low | 28.7 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 96% | 0.958 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -138.7 | 44.9 | 165.2 | -81.7 | -177.8 | 0 | 0 | 0 | 111.7 | ||
| 1053 | S | 24.5 | Very low | 28.3 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -150.4 | 137.7 | 164 | 78.8 | 0 | 0 | 0 | 0 | 111 | ||
| 1054 | Q | 26.4 | Very low | 28.1 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | 69.8 | 147.4 | -177.2 | -46.1 | 173.6 | 48.5 | 0 | 0 | 113.1 | ||||
| 1055 | S | 29.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | -136.1 | 154.7 | 8 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1056 | S | 28.3 | Very low | 28.6 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -82.1 | 148.6 | 163.6 | -52.2 | 0 | 0 | 0 | 0 | 110 | S1058 | S1056-S1058 PolarHBondContact O-N 3.25Š| ||
| 1057 | P | 32.4 | Very low | 28.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 119.1 | -178.6 | 30.3 | -33.6 | 0 | 0 | 0 | 111.8 | ||||
| 1058 | S | 29.9 | Very low | 28.9 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -128.9 | 105.7 | 166.5 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | S1056 | S1056-S1058 PolarHBondContact O-N 3.25Š| ||
| 1059 | V | 28.8 | Very low | 29 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -83 | 127 | 173.3 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1060 | S | 28.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -143.6 | 112.6 | 168.2 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1061 | C | 26.4 | Very low | 29.2 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -85.9 | 129.3 | 170.1 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1062 | G | 27.8 | Very low | 29.3 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | -75.6 | 124.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1063 | S | 29.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | 64 | 123.6 | 83.8 | 80.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1064 | R | 30.4 | Very low | 29.5 | Very low | 222 Ų | 222 | 128.5 Ų | 128.5 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | -156.1 | 133.1 | 54.6 | -79.7 | 169.6 | -176.7 | -177.4 | -1.4 | 109.9 | |||||
| 1065 | N | 30.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | 66.7 | 151.2 | 89.2 | -80.4 | 3.8 | 0 | 0 | 0 | 116.4 | |||||
| 1066 | P | 40.4 | Very low | 29.7 | Very low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -146.1 | -169.5 | -30.8 | 41.6 | -22.9 | 0 | 0 | 0 | 115.5 | ||||
| 1067 | S | 30.8 | Very low | 29.8 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 71.8 | 150.5 | 164.5 | 70.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1068 | S | 31.5 | Very low | 29.8 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | cis | -161.4 | 132.1 | -4.8 | 41.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1069 | S | 28.9 | Very low | 29.8 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | cis | 92.9 | 100.9 | 45.6 | 74.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1070 | Q | 31.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | -179 | 131.6 | 145.4 | -97.9 | 166.7 | 11.7 | 0 | 0 | 108.4 | ||||
| 1071 | M | 26.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 70.7 | 140.5 | 66.9 | -62.4 | -173.4 | 80 | 0 | 0 | 113.8 | |||||
| 1072 | F | 28.9 | Very low | 29.7 | Very low | 162 Ų | 162 | 127 Ų | 127 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | cis | -124.4 | -150.8 | 2.5 | -59.3 | -118.4 | 0 | 0 | 0 | 108.3 | ||||
| 1073 | D | 27.5 | Very low | 29.7 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | cis | -167.6 | -177.4 | -16.6 | -131.8 | -30.1 | 0 | 0 | 0 | 107.3 | ||||
| 1074 | C | 25.7 | Very low | 29.8 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | cis | -160.2 | 163.7 | -13 | -155.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1075 | S | 28.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | 69.1 | 148.4 | 151.6 | 85 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1076 | S | 31.5 | Very low | 29.9 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -158.3 | 158.1 | -9.9 | 57 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1077 | N | 30.1 | Very low | 29.2 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 65 | 150.2 | 153.2 | -61.2 | -18.8 | 0 | 0 | 0 | 118.8 | ||||
| 1078 | N | 32.1 | Very low | 29.1 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | cis | -155.4 | 148 | 9.8 | -128.8 | -13.5 | 0 | 0 | 0 | 114.1 | ||||
| 1079 | N | 30 | Very low | 29 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | 43.6 | 96.2 | 144.5 | -62.9 | -23.9 | 0 | 0 | 0 | 123.9 | ||||
| 1080 | S | 27.2 | Very low | 29.1 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | 51.3 | 148.4 | 102.7 | 81.3 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1081 | K | 29.4 | Very low | 29 | Very low | 207 Ų | 207 | 128.1 Ų | 128.1 | 90% | 0.9 | 75% | 0.749 | S | S | * | * | trans | 98.7 | 152.7 | 153.1 | -68.3 | 179.7 | 179.3 | 176 | 0 | 118.3 | ||||
| 1082 | A | 25.4 | Very low | 29.1 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -121.8 | 159.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1083 | L | 28.5 | Very low | 28.8 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -173.2 | 156.5 | 151.5 | -103.1 | 157.6 | 0 | 0 | 0 | 111.1 | ||||
| 1084 | K | 30.4 | Very low | 28.8 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -101.6 | 175.8 | 156.7 | -59.4 | -177.8 | 176.7 | -178.9 | 0 | 107.4 | ||||
| 1085 | P | 37.4 | Very low | 28.6 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | cis | -136.5 | 178.5 | -2.5 | 42.7 | -26.6 | 0 | 0 | 0 | 115.7 | ||||
| 1086 | G | 25.7 | Very low | 28.5 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | 88.2 | 150.9 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1087 | G | 26.8 | Very low | 28.1 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 89.1 | 107.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1088 | S | 27.5 | Very low | 28 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | cis | 92 | 101.7 | 42.4 | -175.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1089 | F | 30.8 | Very low | 27.6 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | -163.6 | 133.2 | 125.6 | -113 | -73.9 | 0 | 0 | 0 | 111.1 | |||||
| 1090 | D | 29.4 | Very low | 28.1 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 13 | 139.9 | 151 | -62 | -10 | 0 | 0 | 0 | 120.3 | ||||
| 1091 | S | 30.1 | Very low | 28.1 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | cis | -167.4 | -180 | 4.2 | 48.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1092 | K | 28.5 | Very low | 28.1 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | cis | -144.4 | 170.8 | 20.9 | -60.3 | 171.2 | -177.5 | 175.4 | 0 | 110.9 | ||||
| 1093 | S | 23 | Very low | 28.2 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 149.6 | 170.2 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1094 | Y | 27.3 | Very low | 28 | Very low | 223 Ų | 223 | 135.6 Ų | 135.6 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -147.7 | 101.9 | 160.8 | -103.7 | -77 | 0 | 0 | 0 | 111.1 | V1096 | Y1094-V1096 HydrophobicContact CD1-CG2 3.85Å; Y1094-V1096 HydrophobicContact CE1-CG2 3.96Å | ||
| 1095 | S | 21.8 | Very low | 28.2 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -133.2 | 128.1 | 152.2 | 53.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1096 | V | 26.6 | Very low | 27.8 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | trans | -130.6 | 129.4 | -176.2 | 171.5 | 0 | 0 | 0 | 0 | 108.3 | Y1094 V1098 | Y1094-V1096 HydrophobicContact CD1-CG2 3.85Å; Y1094-V1096 HydrophobicContact CE1-CG2 3.96Å; V1096-V1098 HydrophobicContact CG1-CG2 4.02Å | ||
| 1097 | T | 22.3 | Very low | 27.9 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | trans | -127.5 | 122.1 | 172.1 | -52.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1098 | V | 28 | Very low | 28.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | -129 | 145.6 | 172.7 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | V1096 | V1096-V1098 HydrophobicContact CG1-CG2 4.02Š| ||
| 1099 | N | 23.4 | Very low | 28.1 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -155.4 | 170.7 | -167 | -142.6 | 2.8 | 0 | 0 | 0 | 107 | ||||
| 1100 | P | 41 | Very low | 27.9 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | cis | -126.4 | -179.4 | -27.7 | 32 | -14.1 | 0 | 0 | 0 | 112.3 | ||||
| 1101 | K | 27.6 | Very low | 28 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | 161.1 | 138.2 | 122.3 | -92.9 | 177.1 | 177.7 | -180 | 0 | 116.3 | |||||
| 1102 | I | 28.2 | Very low | 28.1 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | 70.4 | 135.3 | 148.5 | -63.4 | 164.3 | 0 | 0 | 0 | 115.1 | ||||
| 1103 | S | 27.1 | Very low | 28.2 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | cis | -142.4 | 164.6 | 19.3 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1104 | L | 24 | Very low | 28.6 | Very low | 164 Ų | 164 | 137 Ų | 137 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | trans | -137.2 | 161.6 | 166.2 | -89 | 171.9 | 0 | 0 | 0 | 109.7 | ||||
| 1105 | P | 34.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | trans | -105.7 | 174.2 | 144.4 | -17.3 | 35.5 | 0 | 0 | 0 | 115.1 | ||||
| 1106 | E | 29.1 | Very low | 29.2 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 53% | 0.528 | 73% | 0.726 | S | S | . | * | trans | -84 | 174.3 | 162 | -66.8 | -160.8 | 59.3 | 0 | 0 | 110 | R1109 | E1106-R1109 WeakPolarHBondContact OE1-CG 3.47Å; E1106-R1109 IonicContact OE1-CZ 2.68Å; E1106-R1109 IonicContact OE1-NE 2.86Å; E1106-R1109 PolarHBondContact OE1-NE 2.88Å; E1106-R1109 IonicContact OE1-NH2 2.91Å; E1106-R1109 IonicContact OE2-CZ 2.96Å; E1106-R1109 IonicContact OE2-NE 2.97Å; E1106-R1109 PolarHBondContact OE2-NE 3.42Å; E1106-R1109 IonicContact OE2-NH2 3.99Å; E1106-R1109 PolarHBondContact OE2-NH2 3.37Å | ||
| 1107 | F | 29.4 | Very low | 29.4 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | cis | -146 | 174.1 | 31.4 | -75.5 | -68.6 | 0 | 0 | 0 | 111.4 | R1109 | F1107-R1109 HydrophobicContact CD1-CG 4.11Š| ||
| 1108 | T | 29.3 | Very low | 29.7 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | cis | -147.2 | 116.1 | 23.6 | -42.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1109 | R | 28.3 | Very low | 29.7 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 60% | 0.6 | 74% | 0.735 | S | S | * | * | 49.1 | 144.1 | 88.3 | -70 | -155.2 | -177.2 | -168.4 | 1.1 | 116.2 | E1106 F1107 | E1106-R1109 WeakPolarHBondContact OE1-CG 3.47Å; E1106-R1109 IonicContact OE1-CZ 2.68Å; E1106-R1109 IonicContact OE1-NE 2.86Å; E1106-R1109 PolarHBondContact OE1-NE 2.88Å; E1106-R1109 IonicContact OE1-NH2 2.91Å; E1106-R1109 IonicContact OE2-CZ 2.96Å; E1106-R1109 IonicContact OE2-NE 2.97Å; E1106-R1109 PolarHBondContact OE2-NE 3.42Å; E1106-R1109 IonicContact OE2-NH2 3.99Å; E1106-R1109 PolarHBondContact OE2-NH2 3.37Å; F1107-R1109 HydrophobicContact CD1-CG 4.11Å | |||
| 1110 | I | 27.2 | Very low | 30.5 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | cis | 164.5 | 139.2 | -22.4 | -106.4 | 171.7 | 0 | 0 | 0 | 104.3 | ||||
| 1111 | T | 30.8 | Very low | 30 | Very low | 123 Ų | 123 | 144 Ų | 144 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 149.8 | 142.6 | 150.4 | 44.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1112 | T | 32.5 | Very low | 30.2 | Very low | 112 Ų | 112 | 141 Ų | 141 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | cis | -168.1 | 163.7 | -0.8 | 26.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1113 | N | 29.2 | Very low | 30.2 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -166.4 | 171.2 | -22.4 | -105.1 | 13.6 | 0 | 0 | 0 | 105.9 | ||||
| 1114 | D | 31.4 | Very low | 30.4 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | 176.1 | 151.7 | 112.9 | -87.7 | -5.5 | 0 | 0 | 0 | 113.2 | |||||
| 1115 | D | 31.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | -79.9 | 159.8 | -177.3 | -72.3 | -48.8 | 0 | 0 | 0 | 111.8 | ||||
| 1116 | V | 31 | Very low | 30.3 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | cis | -160.4 | 151.6 | -2.3 | 121.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1117 | Y | 31.1 | Very low | 30.6 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | 11.9 | 129.4 | 160 | -66.7 | -110.4 | 0 | 0 | 0 | 119.3 | ||||
| 1118 | N | 29.7 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | -164.1 | 168.7 | 63.7 | -108.3 | -47 | 0 | 0 | 0 | 115.6 | |||||
| 1119 | R | 27.9 | Very low | 30.5 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | trans | -121.6 | -177.4 | 175.9 | -80.2 | -175.3 | 171.2 | -173.9 | -0.8 | 109.7 | ||||
| 1120 | P | 39.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | -137.3 | 175.4 | -55.2 | 40.5 | -25.5 | 0 | 0 | 0 | 112.8 | |||||
| 1121 | T | 30.7 | Very low | 30.8 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | trans | -153.4 | 163.4 | 152.1 | 9.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1122 | S | 31.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -95.3 | 158.7 | -168.4 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1123 | A | 27.2 | Very low | 30.4 | Very low | 90 Ų | 90 | 137 Ų | 137 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -63.7 | 164.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1124 | P | 32.5 | Very low | 30.2 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | -153.7 | 171.4 | 75.5 | 42.6 | -23.6 | 0 | 0 | 0 | 118.2 | |||||
| 1125 | I | 28.9 | Very low | 30.5 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 69.2 | 129.3 | 155 | -66.5 | 152.6 | 0 | 0 | 0 | 119.4 | ||||
| 1126 | S | 27.7 | Very low | 30.3 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -98.7 | 159.8 | 169.1 | -42 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1127 | P | 34.4 | Very low | 30.2 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | -136.5 | 168.7 | 125.8 | 37.9 | -27.7 | 0 | 0 | 0 | 114 | |||||
| 1128 | T | 29.6 | Very low | 30.1 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -124.9 | 165.4 | -179.9 | 53 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1129 | S | 28.4 | Very low | 30.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -160 | 141.4 | 152.4 | 42.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1130 | A | 30.4 | Very low | 30.1 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -157.4 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1131 | V | 30.8 | Very low | 29.6 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -131.6 | 132.8 | -173.4 | 170 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1132 | S | 27 | Very low | 29.4 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | -164.3 | -174 | -10.4 | 60.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1133 | Y | 28.3 | Very low | 29.3 | Very low | 212 Ų | 212 | 133.9 Ų | 133.9 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | cis | -154.1 | -162.9 | 5.7 | -134.7 | -37 | 0 | 0 | 0 | 110.2 | ||||
| 1134 | F | 24.3 | Very low | 29.2 | Very low | 185 Ų | 185 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -155.1 | 169.8 | 179 | -98.4 | -70 | 0 | 0 | 0 | 107.4 | ||||
| 1135 | P | 37.3 | Very low | 29 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | cis | -136.9 | -174.5 | 35.3 | 45.7 | -26.7 | 0 | 0 | 0 | 113.9 | ||||
| 1136 | S | 27.7 | Very low | 28.8 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | cis | -160.9 | 153.6 | 0.4 | 13.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1137 | T | 29.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 144 Ų | 144 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | 67.3 | 134.7 | 144.4 | 51.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1138 | L | 29.1 | Very low | 28.3 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | 99.7 | 113.6 | 140.2 | -77 | 159.4 | 0 | 0 | 0 | 121.8 | ||||
| 1139 | H | 30.6 | Very low | 28.1 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 53.6 | 134.2 | 157.6 | -82.7 | -67.3 | 0 | 0 | 0 | 123.7 | ||||
| 1140 | K | 26.7 | Very low | 28.1 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | trans | -74.8 | 138.5 | 168.4 | -51.2 | 169.5 | -178.2 | 177.4 | 0 | 110.1 | ||||
| 1141 | N | 28.8 | Very low | 27.9 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -175.4 | 146.3 | 113.8 | -92.2 | -10.4 | 0 | 0 | 0 | 112.6 | |||||
| 1142 | S | 27.5 | Very low | 28.1 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 30.6 | 87.7 | 157.4 | 58.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1143 | T | 29.1 | Very low | 28 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -82.6 | 116 | 166.4 | 26.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1144 | L | 24.3 | Very low | 28 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -64.5 | 146.6 | 137.8 | -82.7 | 165.8 | 0 | 0 | 0 | 108.1 | ||||
| 1145 | L | 27.6 | Very low | 28.2 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -134.1 | 110.7 | 178.1 | -135.9 | 175.4 | 0 | 0 | 0 | 110.1 | ||||
| 1146 | H | 24.5 | Very low | 27.6 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | -146 | 114.9 | 179 | -169.2 | -113.8 | 0 | 0 | 0 | 111.9 | ||||
| 1147 | R | 25.6 | Very low | 27.7 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 56.8 | 119.3 | 159.6 | -76.2 | -175.3 | 157.2 | 94 | -6.6 | 121.7 | V1149 | R1147-V1149 HydrophobicContact CB-CG2 4.35Š| ||
| 1148 | A | 26.5 | Very low | 27.6 | Very low | 96 Ų | 96 | 143 Ų | 143 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | -142.3 | 132.4 | 125.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 1149 | V | 25.3 | Very low | 27.5 | Very low | 98 Ų | 98 | 140 Ų | 140 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | cis | 75.8 | 125.4 | 31.5 | -165.5 | 0 | 0 | 0 | 0 | 110.4 | R1147 | R1147-V1149 HydrophobicContact CB-CG2 4.35Š| ||
| 1150 | H | 29.9 | Very low | 27.2 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | cis | -120.6 | 156.6 | 28.9 | -75.5 | -100.3 | 0 | 0 | 0 | 114.1 | ||||
| 1151 | N | 25.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 79.3 | 145.2 | 54 | -126.2 | 18 | 0 | 0 | 0 | 113.3 | |||||
| 1152 | P | 34.6 | Very low | 27.1 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | cis | -149.2 | 157 | 37.9 | 42.9 | -21.9 | 0 | 0 | 0 | 122 | ||||
| 1153 | S | 24.5 | Very low | 27.1 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | 72.3 | 161.7 | 138.5 | 60.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1154 | I | 29 | Very low | 27.1 | Very low | 151 Ų | 151 | 133 Ų | 133 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | trans | 76.1 | 128.8 | -179.1 | -54.2 | 173.7 | 0 | 0 | 0 | 114.3 | ||||
| 1155 | D | 28 | Very low | 27.3 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | cis | -151.8 | 140.7 | -23.9 | -99.2 | -18 | 0 | 0 | 0 | 105.9 | ||||
| 1156 | Q | 25.3 | Very low | 27.4 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | 75 | 138 | 64.5 | -66.5 | -148.3 | 8.7 | 0 | 0 | 116.8 | |||||
| 1157 | N | 28.8 | Very low | 27.7 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 72.4 | 143 | 179.5 | -56.6 | -44.9 | 0 | 0 | 0 | 117.4 | ||||
| 1158 | I | 28.9 | Very low | 28.1 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | cis | -154.1 | 118.5 | -15.3 | -114.3 | 160.2 | 0 | 0 | 0 | 104.8 | ||||
| 1159 | S | 25.4 | Very low | 28.1 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | 91.5 | 157.9 | 71.5 | 97.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1160 | N | 25.5 | Very low | 28 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 79.4 | 91 | 168.7 | -49.5 | -12.9 | 0 | 0 | 0 | 118.8 | ||||
| 1161 | D | 28.3 | Very low | 28 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | -147.8 | 30 | 120.8 | -138.2 | -11.3 | 0 | 0 | 0 | 114.8 | N1163 | D1161-N1163 VanDerWaalsContact C-N 3.33Å; D1161-N1163 PolarHBondContact O-N 2.98Å; D1161-N1163 VanDerWaalsContact O-N 3.17Å | |||
| 1162 | T | 25.4 | Very low | 28.4 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | -86.8 | 68 | 171.8 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1163 | N | 26 | Very low | 28.3 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 55% | 0.551 | 74% | 0.744 | S | S | * | * | trans | -137 | 6.6 | -175.9 | -122.6 | -50.9 | 0 | 0 | 0 | 115.9 | D1161 | D1161-N1163 VanDerWaalsContact C-N 3.33Å; D1161-N1163 PolarHBondContact O-N 2.98Å; D1161-N1163 VanDerWaalsContact O-N 3.17Å | ||
| 1164 | A | 30.4 | Very low | 28.9 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -90.5 | -23.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1165 | L | 28.4 | Very low | 29.2 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -102.8 | -15.4 | -167.2 | -94.7 | 159.3 | 0 | 0 | 0 | 116.1 | ||
| 1166 | E | 28.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -88.6 | -22 | 179.4 | -69.3 | -147.5 | 111 | 0 | 0 | 114.4 | I1168 K1169 | E1166-I1168 PolarHBondContact O-N 2.94Å; E1166-I1168 VanDerWaalsContact O-N 3.12Å; E1166-K1169 PolarHBondContact O-N 3.45Å; E1166-K1169 VanDerWaalsContact O-N 3.15Å |
| 1167 | K | 31.6 | Very low | 30.1 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -8.4 | -176.5 | -78.7 | -176.4 | 176.3 | 175.6 | 0 | 115.1 | ||
| 1168 | I | 33.1 | Very low | 30.4 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -20.3 | 175.3 | -63.6 | 177.3 | 0 | 0 | 0 | 111.9 | E1166 K1170 | E1166-I1168 PolarHBondContact O-N 2.94Å; E1166-I1168 VanDerWaalsContact O-N 3.12Å; I1168-K1170 VanDerWaalsContact C-N 3.27Å; I1168-K1170 PolarHBondContact O-N 3.34Å; I1168-K1170 VanDerWaalsContact O-N 3.14Å |
| 1169 | K | 26.4 | Very low | 30.8 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -78.7 | 9.8 | -173.7 | -71.5 | -173.1 | 175.2 | 178.3 | 0 | 116 | E1166 | E1166-K1169 PolarHBondContact O-N 3.45Å; E1166-K1169 VanDerWaalsContact O-N 3.15Å |
| 1170 | K | 25 | Very low | 31.4 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 85% | 0.852 | 70% | 0.7 | S | S | * | * | trans | -140.6 | 67.8 | -177.3 | -69.1 | -171.1 | 179.1 | 176.7 | 0 | 114.8 | I1168 | I1168-K1170 VanDerWaalsContact C-N 3.27Å; I1168-K1170 PolarHBondContact O-N 3.34Å; I1168-K1170 VanDerWaalsContact O-N 3.14Å | ||
| 1171 | K | 30.2 | Very low | 32 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | trans | -133.1 | 134.2 | 145.6 | -80.2 | -171 | 176.4 | -178.4 | 0 | 108.5 | ||||
| 1172 | P | 33.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -73 | 129.2 | 173.5 | 30 | -32.4 | 0 | 0 | 0 | 110 | ||
| 1173 | L | 32.1 | Very low | 32.7 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 140.7 | 159.6 | -75.9 | 155.4 | 0 | 0 | 0 | 108.2 | L1177 | L1173-L1177 HydrophobicContact CD2-CD2 4.18Š|
| 1174 | S | 38 | Very low | 33.1 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 154.3 | -173.9 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | T1176 L1177 | S1174-T1176 PolarHBondContact O-N 3.41Å; S1174-T1176 PolarHBondContact OG-OG1 3.44Å; S1174-L1177 PolarHBondContact O-N 3.47Å |
| 1175 | S | 33.7 | Very low | 33.3 | Very low | 89 Ų | 89 | 128 Ų | 128 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -56.8 | -21.1 | 176.3 | 45 | 0 | 0 | 0 | 0 | 113.7 | L1177 N1179 | S1175-L1177 VanDerWaalsContact C-N 3.27Å; S1175-L1177 PolarHBondContact O-N 3.1Å; S1175-N1179 PolarHBondContact O-N 3.16Å |
| 1176 | T | 37.7 | Very low | 33.4 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 60% | 0.595 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -56.1 | -38.7 | 173.1 | -38.2 | 0 | 0 | 0 | 0 | 112.6 | S1174 T1180 | S1174-T1176 PolarHBondContact O-N 3.41Å; S1174-T1176 PolarHBondContact OG-OG1 3.44Å; T1176-T1180 PolarHBondContact O-N 3.01Å; T1176-T1180 PolarHBondContact O-OG1 3.12Å |
| 1177 | L | 35.5 | Very low | 33.8 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 47% | 0.471 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -76.6 | -42.4 | -175.8 | -164.1 | 69.1 | 0 | 0 | 0 | 111.9 | L1173 S1174 S1175 N1179 T1180 L1181 | L1173-L1177 HydrophobicContact CD2-CD2 4.18Å; S1174-L1177 PolarHBondContact O-N 3.47Å; S1175-L1177 VanDerWaalsContact C-N 3.27Å; S1175-L1177 PolarHBondContact O-N 3.1Å; L1177-N1179 PolarHBondContact O-N 3.13Å; L1177-T1180 PolarHBondContact O-N 3.12Å; L1177-T1180 VanDerWaalsContact O-N 3.17Å; L1177-L1181 PolarHBondContact O-N 3.15Å |
| 1178 | M | 35 | Very low | 34.1 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -62.4 | -41.1 | 177.2 | -73.4 | -66.7 | -71.4 | 0 | 0 | 112 | T1180 L1181 S1182 | M1178-T1180 PolarHBondContact O-N 3.46Å; M1178-L1181 PolarHBondContact O-N 3.08Å; M1178-S1182 PolarHBondContact O-N 3.38Å |
| 1179 | N | 37.1 | Very low | 34.1 | Very low | 114 Ų | 114 | 125 Ų | 125 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.8 | -15.7 | 178.2 | -72.2 | 4.5 | 0 | 0 | 0 | 113.7 | S1175 L1177 S1182 | S1175-N1179 PolarHBondContact O-N 3.16Å; L1177-N1179 PolarHBondContact O-N 3.13Å; N1179-S1182 PolarHBondContact O-OG 3.13Å |
| 1180 | T | 38.8 | Very low | 34.4 | Very low | 86 Ų | 86 | 122 Ų | 122 | 53% | 0.528 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -83.7 | -32.8 | 173.7 | -50.6 | 0 | 0 | 0 | 0 | 111.1 | T1176 L1177 M1178 | T1176-T1180 PolarHBondContact O-N 3.01Å; T1176-T1180 PolarHBondContact O-OG1 3.12Å; L1177-T1180 PolarHBondContact O-N 3.12Å; L1177-T1180 VanDerWaalsContact O-N 3.17Å; M1178-T1180 PolarHBondContact O-N 3.46Å |
| 1181 | L | 36.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 116.6 Ų | 116.6 | 48% | 0.482 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -79.2 | -21.4 | 179.9 | -68 | 167.8 | 0 | 0 | 0 | 113.3 | L1177 M1178 C1183 L1190 | L1177-L1181 PolarHBondContact O-N 3.15Å; M1178-L1181 PolarHBondContact O-N 3.08Å; L1181-C1183 PolarHBondContact O-N 3.35Å; L1181-L1190 HydrophobicContact CD2-CD1 4.32Å |
| 1182 | S | 36.4 | Very low | 35.4 | Very low | 92 Ų | 92 | 113.6 Ų | 113.6 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 2.5 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | M1178 N1179 | M1178-S1182 PolarHBondContact O-N 3.38Å; N1179-S1182 PolarHBondContact O-OG 3.13Å |
| 1183 | C | 33 | Very low | 35.5 | Very low | 86 Ų | 86 | 113.1 Ų | 113.1 | 58% | 0.581 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -3.6 | -174.3 | -67.5 | 0 | 0 | 0 | 0 | 115.1 | L1181 | L1181-C1183 PolarHBondContact O-N 3.35Š|
| 1184 | F | 33.5 | Very low | 36 | Very low | 151 Ų | 151 | 110.3 Ų | 110.3 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | trans | -139.4 | 99.8 | -179.7 | -64.8 | -80.5 | 0 | 0 | 0 | 109.9 | ||||
| 1185 | P | 35 | Very low | 36.2 | Very low | 119 Ų | 119 | 111.2 Ų | 111.2 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -72.1 | -28.9 | -175 | -19.9 | 33.3 | 0 | 0 | 0 | 114.9 | ||
| 1186 | D | 32 | Very low | 36.4 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | trans | -125.9 | 67.5 | -161.4 | -51.7 | -69.4 | 0 | 0 | 0 | 113.4 | ||||
| 1187 | W | 36.9 | Very low | 36.5 | Very low | 219 Ų | 219 | 117.1 Ų | 117.1 | 83% | 0.83 | 62% | 0.619 | S | S | * | * | trans | -142 | 98.7 | 173.9 | -105.5 | 71.7 | 0 | 0 | 0 | 112.5 | G1189 | W1187-G1189 PolarHBondContact O-N 3.03Š| ||
| 1188 | D | 36.9 | Very low | 36.9 | Very low | 168 Ų | 168 | 116.7 Ų | 116.7 | 90% | 0.898 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 13.9 | -177.9 | -69.9 | -57.3 | 0 | 0 | 0 | 115.8 | L1190 | D1188-L1190 VanDerWaalsContact C-N 3.33Å; D1188-L1190 PolarHBondContact O-N 2.7Å |
| 1189 | G | 32.9 | Very low | 37.3 | Very low | 32 Ų | 32 | 115.1 Ų | 115.1 | 33% | 0.33 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -2.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | W1187 M1192 | W1187-G1189 PolarHBondContact O-N 3.03Å; G1189-M1192 PolarHBondContact O-N 2.78Å |
| 1190 | L | 33.9 | Very low | 37.6 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 59% | 0.592 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.7 | -38.1 | -166.3 | -145.2 | 76.1 | 0 | 0 | 0 | 115.8 | L1181 D1188 M1192 | L1181-L1190 HydrophobicContact CD2-CD1 4.32Å; D1188-L1190 VanDerWaalsContact C-N 3.33Å; D1188-L1190 PolarHBondContact O-N 2.7Å; L1190-M1192 PolarHBondContact O-N 3.48Å |
| 1191 | P | 39.5 | Very low | 37.9 | Very low | 81 Ų | 81 | 113.5 Ų | 113.5 | 53% | 0.526 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.2 | -42.6 | 179.1 | -25.3 | 35.4 | 0 | 0 | 0 | 113.3 | L1193 V1194 D1195 | P1191-L1193 PolarHBondContact O-N 3.04Å; P1191-L1193 VanDerWaalsContact O-N 3.11Å; P1191-V1194 WeakPolarHBondContact O-CB 3.31Å; P1191-V1194 PolarHBondContact O-N 2.73Å; P1191-D1195 PolarHBondContact O-N 3.16Å |
| 1192 | M | 36 | Very low | 38.4 | Very low | 132 Ų | 132 | 114.1 Ų | 114.1 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.6 | -27.7 | -172.5 | -59.1 | -176.9 | 78.5 | 0 | 0 | 113.7 | G1189 L1190 R1196 | G1189-M1192 PolarHBondContact O-N 2.78Å; L1190-M1192 PolarHBondContact O-N 3.48Å; M1192-R1196 WeakPolarHBondContact O-CG 3.5Å; M1192-R1196 PolarHBondContact O-N 3.42Å |
| 1193 | L | 35.5 | Very low | 38.8 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.6 | -36.1 | 177.4 | -159.3 | 75.3 | 0 | 0 | 0 | 111.7 | P1191 L1197 | P1191-L1193 PolarHBondContact O-N 3.04Å; P1191-L1193 VanDerWaalsContact O-N 3.11Å; L1193-L1197 WeakPolarHBondContact O-CG 3.39Å; L1193-L1197 PolarHBondContact O-N 3.18Å |
| 1194 | V | 42.7 | Very low | 39.5 | Very low | 88 Ų | 88 | 114 Ų | 114 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.1 | -42.7 | 176.3 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | P1191 L1197 T1198 | P1191-V1194 WeakPolarHBondContact O-CB 3.31Å; P1191-V1194 PolarHBondContact O-N 2.73Å; V1194-L1197 PolarHBondContact O-N 2.87Å; V1194-T1198 VanDerWaalsContact O-CB 3.32Å; V1194-T1198 WeakPolarHBondContact O-CB 3.45Å; V1194-T1198 PolarHBondContact O-N 2.81Å; V1194-T1198 PolarHBondContact O-OG1 3.03Å |
| 1195 | D | 42.7 | Very low | 40.4 | Very low | 90 Ų | 90 | 111.5 Ų | 111.5 | 48% | 0.481 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.3 | -45.8 | 175.4 | -68.6 | -36.2 | 0 | 0 | 0 | 112.4 | P1191 L1197 T1198 I1199 | P1191-D1195 PolarHBondContact O-N 3.16Å; D1195-L1197 VanDerWaalsContact C-N 3.34Å; D1195-L1197 PolarHBondContact O-N 2.98Å; D1195-T1198 PolarHBondContact O-N 3.37Å; D1195-T1198 VanDerWaalsContact O-N 3.14Å; D1195-I1199 WeakPolarHBondContact O-CB 3.3Å; D1195-I1199 VanDerWaalsContact O-CG1 3.27Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.42Å; D1195-I1199 PolarHBondContact O-N 3.16Å |
| 1196 | R | 36.9 | Very low | 40.9 | Very low | 188 Ų | 188 | 107.9 Ų | 107.9 | 71% | 0.709 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.6 | -42.7 | 177.2 | -79.3 | -177.4 | 177.1 | -144.7 | -0.4 | 112.7 | M1192 H1200 | M1192-R1196 WeakPolarHBondContact O-CG 3.5Å; M1192-R1196 PolarHBondContact O-N 3.42Å; R1196-H1200 WeakPolarHBondContact O-CB 3.28Å; R1196-H1200 PolarHBondContact O-N 3.24Å; R1196-H1200 VanDerWaalsContact O-N 3.12Å |
| 1197 | L | 38.9 | Very low | 41.6 | Very low | 123 Ų | 123 | 106.7 Ų | 106.7 | 64% | 0.644 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.1 | -38.4 | 176.1 | -72 | 169 | 0 | 0 | 0 | 111.9 | L1193 V1194 D1195 H1200 A1201 | L1193-L1197 WeakPolarHBondContact O-CG 3.39Å; L1193-L1197 PolarHBondContact O-N 3.18Å; V1194-L1197 PolarHBondContact O-N 2.87Å; D1195-L1197 VanDerWaalsContact C-N 3.34Å; D1195-L1197 PolarHBondContact O-N 2.98Å; L1197-H1200 PolarHBondContact O-N 3.43Å; L1197-A1201 WeakPolarHBondContact O-CB 3.16Å; L1197-A1201 PolarHBondContact O-N 3.39Å |
| 1198 | T | 44.8 | Very low | 42.3 | Very low | 81 Ų | 81 | 100.6 Ų | 100.6 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.6 | -43.3 | -178.8 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | V1194 D1195 A1201 H1202 | V1194-T1198 VanDerWaalsContact O-CB 3.32Å; V1194-T1198 WeakPolarHBondContact O-CB 3.45Å; V1194-T1198 PolarHBondContact O-N 2.81Å; V1194-T1198 PolarHBondContact O-OG1 3.03Å; D1195-T1198 PolarHBondContact O-N 3.37Å; D1195-T1198 VanDerWaalsContact O-N 3.14Å; T1198-A1201 PolarHBondContact O-N 2.98Å; T1198-H1202 WeakPolarHBondContact O-CB 3.24Å; T1198-H1202 PolarHBondContact O-N 3.29Å |
| 1199 | I | 44 | Very low | 43 | Very low | 106 Ų | 106 | 101.3 Ų | 101.3 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.3 | -68.3 | 164.6 | 0 | 0 | 0 | 110.8 | D1195 H1202 S1203 | D1195-I1199 WeakPolarHBondContact O-CB 3.3Å; D1195-I1199 VanDerWaalsContact O-CG1 3.27Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.42Å; D1195-I1199 PolarHBondContact O-N 3.16Å; I1199-H1202 PolarHBondContact O-N 3.49Å; I1199-S1203 VanDerWaalsContact O-CB 3.32Å; I1199-S1203 WeakPolarHBondContact O-CB 3.49Å; I1199-S1203 PolarHBondContact O-N 2.83Å |
| 1200 | H | 43.7 | Very low | 43.7 | Very low | 115 Ų | 115 | 106.8 Ų | 106.8 | 53% | 0.532 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 178.4 | -162.1 | 81.4 | 0 | 0 | 0 | 112.1 | R1196 L1197 S1203 Q1204 | R1196-H1200 WeakPolarHBondContact O-CB 3.28Å; R1196-H1200 PolarHBondContact O-N 3.24Å; R1196-H1200 VanDerWaalsContact O-N 3.12Å; L1197-H1200 PolarHBondContact O-N 3.43Å; H1200-S1203 WeakPolarHBondContact O-CB 3.4Å; H1200-S1203 PolarHBondContact O-N 2.96Å; H1200-Q1204 PolarHBondContact CD2-NE2 2.98Å; H1200-Q1204 PolarHBondContact NE2-NE2 2.93Å; H1200-Q1204 PolarHBondContact O-N 2.73Å; H1200-Q1204 VanDerWaalsContact O-N 3.09Å |
| 1201 | A | 43.9 | Very low | 44.6 | Very low | 50 Ų | 50 | 104.9 Ų | 104.9 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1197 T1198 S1203 Q1204 L1205 | L1197-A1201 WeakPolarHBondContact O-CB 3.16Å; L1197-A1201 PolarHBondContact O-N 3.39Å; T1198-A1201 PolarHBondContact O-N 2.98Å; A1201-S1203 VanDerWaalsContact C-N 3.35Å; A1201-S1203 PolarHBondContact O-N 3.26Å; A1201-Q1204 PolarHBondContact O-N 2.85Å; A1201-L1205 WeakPolarHBondContact O-CG 3.44Å; A1201-L1205 PolarHBondContact O-N 2.81Å |
| 1202 | H | 47.3 | Very low | 45.3 | Very low | 105 Ų | 105 | 106.6 Ų | 106.6 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 176.7 | -151 | 130.4 | 0 | 0 | 0 | 111.4 | T1198 I1199 L1205 C1206 | T1198-H1202 WeakPolarHBondContact O-CB 3.24Å; T1198-H1202 PolarHBondContact O-N 3.29Å; I1199-H1202 PolarHBondContact O-N 3.49Å; H1202-L1205 PolarHBondContact O-N 3.38Å; H1202-C1206 WeakPolarHBondContact O-CB 3.38Å; H1202-C1206 PolarHBondContact O-N 2.8Å |
| 1203 | S | 44 | Very low | 46 | Very low | 61 Ų | 61 | 106.7 Ų | 106.7 | 43% | 0.427 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 174.9 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | I1199 H1200 A1201 L1205 C1206 Q1207 | I1199-S1203 VanDerWaalsContact O-CB 3.32Å; I1199-S1203 WeakPolarHBondContact O-CB 3.49Å; I1199-S1203 PolarHBondContact O-N 2.83Å; H1200-S1203 WeakPolarHBondContact O-CB 3.4Å; H1200-S1203 PolarHBondContact O-N 2.96Å; A1201-S1203 VanDerWaalsContact C-N 3.35Å; A1201-S1203 PolarHBondContact O-N 3.26Å; S1203-L1205 PolarHBondContact O-N 2.93Å; S1203-C1206 PolarHBondContact O-N 2.98Å; S1203-Q1207 WeakPolarHBondContact O-CB 3.33Å; S1203-Q1207 PolarHBondContact O-N 2.67Å |
| 1204 | Q | 49.2 | Very low | 46.7 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.9 | -68.6 | -173.4 | 3.8 | 0 | 0 | 112.5 | H1200 A1201 C1206 Q1207 E1208 | H1200-Q1204 PolarHBondContact CD2-NE2 2.98Å; H1200-Q1204 PolarHBondContact NE2-NE2 2.93Å; H1200-Q1204 PolarHBondContact O-N 2.73Å; H1200-Q1204 VanDerWaalsContact O-N 3.09Å; A1201-Q1204 PolarHBondContact O-N 2.85Å; Q1204-C1206 VanDerWaalsContact C-N 3.33Å; Q1204-C1206 PolarHBondContact O-N 2.75Å; Q1204-Q1207 WeakPolarHBondContact O-CB 3.27Å; Q1204-Q1207 PolarHBondContact O-N 2.68Å; Q1204-E1208 PolarHBondContact O-N 2.74Å |
| 1205 | L | 51.8 | Low | 47.4 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -34 | 177.3 | -72.1 | 169.8 | 0 | 0 | 0 | 113.1 | A1201 H1202 S1203 R1209 | A1201-L1205 WeakPolarHBondContact O-CG 3.44Å; A1201-L1205 PolarHBondContact O-N 2.81Å; H1202-L1205 PolarHBondContact O-N 3.38Å; S1203-L1205 PolarHBondContact O-N 2.93Å; L1205-R1209 WeakPolarHBondContact O-CG 3.48Å; L1205-R1209 PolarHBondContact O-N 2.69Å; L1205-R1209 VanDerWaalsContact O-N 3.1Å |
| 1206 | C | 46.1 | Very low | 48.2 | Very low | 43 Ų | 43 | 104.3 Ų | 104.3 | 29% | 0.291 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 171.3 | -82.6 | 0 | 0 | 0 | 0 | 112.1 | H1202 S1203 Q1204 E1208 R1209 Y1210 | H1202-C1206 WeakPolarHBondContact O-CB 3.38Å; H1202-C1206 PolarHBondContact O-N 2.8Å; S1203-C1206 PolarHBondContact O-N 2.98Å; Q1204-C1206 VanDerWaalsContact C-N 3.33Å; Q1204-C1206 PolarHBondContact O-N 2.75Å; C1206-E1208 VanDerWaalsContact C-N 3.35Å; C1206-E1208 PolarHBondContact O-N 3.06Å; C1206-R1209 PolarHBondContact O-N 3.14Å; C1206-Y1210 WeakPolarHBondContact O-CB 3.45Å; C1206-Y1210 PolarHBondContact O-N 2.96Å |
| 1207 | Q | 46.9 | Very low | 48.9 | Very low | 115 Ų | 115 | 100.2 Ų | 100.2 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 174.4 | -159.4 | 79 | 10.1 | 0 | 0 | 111.2 | S1203 Q1204 Y1210 N1211 | S1203-Q1207 WeakPolarHBondContact O-CB 3.33Å; S1203-Q1207 PolarHBondContact O-N 2.67Å; Q1204-Q1207 WeakPolarHBondContact O-CB 3.27Å; Q1204-Q1207 PolarHBondContact O-N 2.68Å; Q1207-Y1210 PolarHBondContact O-N 3.37Å; Q1207-N1211 WeakPolarHBondContact O-CB 3.39Å; Q1207-N1211 PolarHBondContact O-N 3.25Å; Q1207-N1211 PolarHBondContact O-ND2 3.19Å; Q1207-N1211 PolarHBondContact O-OD1 3.35Å |
| 1208 | E | 51.6 | Low | 49.6 | Very low | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 173.5 | -89.5 | -161.9 | -142.3 | 0 | 0 | 112.9 | Q1204 C1206 Y1210 N1211 R1212 | Q1204-E1208 PolarHBondContact O-N 2.74Å; C1206-E1208 VanDerWaalsContact C-N 3.35Å; C1206-E1208 PolarHBondContact O-N 3.06Å; E1208-Y1210 VanDerWaalsContact C-N 3.29Å; E1208-Y1210 PolarHBondContact O-N 3.42Å; E1208-N1211 PolarHBondContact O-N 2.84Å; E1208-R1212 VanDerWaalsContact O-CG 3.29Å; E1208-R1212 WeakPolarHBondContact O-CG 3.26Å; E1208-R1212 PolarHBondContact O-N 3.06Å; E1208-R1212 IonicContact OE2-CZ 3.67Å; E1208-R1212 IonicContact OE2-NE 2.94Å; E1208-R1212 IonicContact OE2-NH2 2.82Å; E1208-R1212 PolarHBondContact OE2-NH2 3.05Å |
| 1209 | R | 50.7 | Low | 50.4 | Low | 183 Ų | 183 | 95.8 Ų | 95.8 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 178.8 | -78.3 | 175.6 | 171.8 | 172.6 | -2.1 | 111.8 | L1205 C1206 K1213 | L1205-R1209 WeakPolarHBondContact O-CG 3.48Å; L1205-R1209 PolarHBondContact O-N 2.69Å; L1205-R1209 VanDerWaalsContact O-N 3.1Å; C1206-R1209 PolarHBondContact O-N 3.14Å; R1209-K1213 PolarHBondContact O-N 2.86Å; R1209-K1213 VanDerWaalsContact O-N 3.09Å |
| 1210 | Y | 47.5 | Very low | 51.1 | Low | 146 Ų | 146 | 94 Ų | 94 | 57% | 0.573 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.3 | -54.8 | 173 | -178 | -94 | 0 | 0 | 0 | 110.9 | C1206 Q1207 E1208 R1212 K1213 T1214 | C1206-Y1210 WeakPolarHBondContact O-CB 3.45Å; C1206-Y1210 PolarHBondContact O-N 2.96Å; Q1207-Y1210 PolarHBondContact O-N 3.37Å; E1208-Y1210 VanDerWaalsContact C-N 3.29Å; E1208-Y1210 PolarHBondContact O-N 3.42Å; Y1210-R1212 VanDerWaalsContact C-N 3.32Å; Y1210-R1212 PolarHBondContact O-N 3.21Å; Y1210-K1213 PolarHBondContact O-N 3.45Å; Y1210-T1214 PolarHBondContact O-N 3.34Å; Y1210-T1214 PolarHBondContact O-OG1 3.49Å |
| 1211 | N | 52.1 | Low | 51.7 | Low | 74 Ų | 74 | 90.9 Ų | 90.9 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55.1 | -44.9 | 179.6 | -68.8 | -12.6 | 0 | 0 | 0 | 112.3 | Q1207 E1208 K1213 T1214 Q1215 | Q1207-N1211 WeakPolarHBondContact O-CB 3.39Å; Q1207-N1211 PolarHBondContact O-N 3.25Å; Q1207-N1211 PolarHBondContact O-ND2 3.19Å; Q1207-N1211 PolarHBondContact O-OD1 3.35Å; E1208-N1211 PolarHBondContact O-N 2.84Å; N1211-K1213 PolarHBondContact O-N 2.94Å; N1211-T1214 PolarHBondContact O-N 3.03Å; N1211-Q1215 WeakPolarHBondContact O-CG 3.36Å; N1211-Q1215 PolarHBondContact O-N 3.31Å |
| 1212 | R | 55.8 | Low | 52.6 | Low | 117 Ų | 117 | 89.9 Ų | 89.9 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.1 | -67 | 171.6 | -161.9 | -93.7 | 4.4 | 112.3 | E1208 Y1210 K1216 | E1208-R1212 VanDerWaalsContact O-CG 3.29Å; E1208-R1212 WeakPolarHBondContact O-CG 3.26Å; E1208-R1212 PolarHBondContact O-N 3.06Å; E1208-R1212 IonicContact OE2-CZ 3.67Å; E1208-R1212 IonicContact OE2-NE 2.94Å; E1208-R1212 IonicContact OE2-NH2 2.82Å; E1208-R1212 PolarHBondContact OE2-NH2 3.05Å; Y1210-R1212 VanDerWaalsContact C-N 3.32Å; Y1210-R1212 PolarHBondContact O-N 3.21Å; R1212-K1216 PolarHBondContact O-N 2.74Å; R1212-K1216 VanDerWaalsContact O-N 3.11Å |
| 1213 | K | 50.1 | Low | 53.4 | Low | 133 Ų | 133 | 89.1 Ų | 89.1 | 58% | 0.578 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.9 | -44.2 | 176.3 | -168.4 | -179.7 | 178.9 | -175.5 | 0 | 110.9 | R1209 Y1210 N1211 K1216 Q1217 | R1209-K1213 PolarHBondContact O-N 2.86Å; R1209-K1213 VanDerWaalsContact O-N 3.09Å; Y1210-K1213 PolarHBondContact O-N 3.45Å; N1211-K1213 PolarHBondContact O-N 2.94Å; K1213-K1216 PolarHBondContact O-N 3.27Å; K1213-Q1217 WeakPolarHBondContact O-CG 3.23Å; K1213-Q1217 PolarHBondContact O-N 3.47Å |
| 1214 | T | 50.6 | Low | 54.1 | Low | 52 Ų | 52 | 87 Ų | 87 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 175.8 | -53 | 0 | 0 | 0 | 0 | 111.5 | Y1210 N1211 K1216 Q1217 S1218 | Y1210-T1214 PolarHBondContact O-N 3.34Å; Y1210-T1214 PolarHBondContact O-OG1 3.49Å; N1211-T1214 PolarHBondContact O-N 3.03Å; T1214-K1216 VanDerWaalsContact C-N 3.34Å; T1214-K1216 PolarHBondContact O-N 3.32Å; T1214-Q1217 PolarHBondContact O-N 3.07Å; T1214-Q1217 VanDerWaalsContact O-N 3.1Å; T1214-S1218 PolarHBondContact O-N 3.24Å; T1214-S1218 PolarHBondContact O-OG 3.43Å |
| 1215 | Q | 56.8 | Low | 54.9 | Low | 87 Ų | 87 | 85.1 Ų | 85.1 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.4 | -45.4 | 176.3 | -76.2 | -179.5 | -68.3 | 0 | 0 | 112.2 | N1211 Q1217 S1218 M1219 | N1211-Q1215 WeakPolarHBondContact O-CG 3.36Å; N1211-Q1215 PolarHBondContact O-N 3.31Å; Q1215-Q1217 VanDerWaalsContact C-N 3.33Å; Q1215-Q1217 PolarHBondContact O-N 3.33Å; Q1215-S1218 PolarHBondContact O-N 3.47Å; Q1215-M1219 WeakPolarHBondContact O-CB 3.4Å; Q1215-M1219 PolarHBondContact O-N 2.92Å |
| 1216 | K | 60 | Low | 55.7 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 176.5 | -170.9 | -174 | 176.6 | -166.9 | 0 | 112.2 | R1212 K1213 T1214 L1220 | R1212-K1216 PolarHBondContact O-N 2.74Å; R1212-K1216 VanDerWaalsContact O-N 3.11Å; K1213-K1216 PolarHBondContact O-N 3.27Å; T1214-K1216 VanDerWaalsContact C-N 3.34Å; T1214-K1216 PolarHBondContact O-N 3.32Å; K1216-L1220 HydrophobicContact CG-CD1 4.31Å; K1216-L1220 WeakPolarHBondContact O-CG 3.33Å; K1216-L1220 PolarHBondContact O-N 3.19Å; K1216-L1220 VanDerWaalsContact O-N 3.08Å |
| 1217 | Q | 50.1 | Low | 56.7 | Low | 102 Ų | 102 | 83.1 Ų | 83.1 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 176.1 | -71.9 | 177.3 | -67.9 | 0 | 0 | 111.9 | K1213 T1214 Q1215 M1219 L1220 A1221 | K1213-Q1217 WeakPolarHBondContact O-CG 3.23Å; K1213-Q1217 PolarHBondContact O-N 3.47Å; T1214-Q1217 PolarHBondContact O-N 3.07Å; T1214-Q1217 VanDerWaalsContact O-N 3.1Å; Q1215-Q1217 VanDerWaalsContact C-N 3.33Å; Q1215-Q1217 PolarHBondContact O-N 3.33Å; Q1217-M1219 VanDerWaalsContact C-N 3.33Å; Q1217-M1219 PolarHBondContact O-N 2.78Å; Q1217-L1220 PolarHBondContact O-N 3.48Å; Q1217-A1221 WeakPolarHBondContact O-CB 3.49Å; Q1217-A1221 PolarHBondContact O-N 2.74Å |
| 1218 | S | 55 | Low | 57.8 | Low | 57 Ų | 57 | 80.1 Ų | 80.1 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | T1214 Q1215 A1221 L1222 | T1214-S1218 PolarHBondContact O-N 3.24Å; T1214-S1218 PolarHBondContact O-OG 3.43Å; Q1215-S1218 PolarHBondContact O-N 3.47Å; S1218-A1221 PolarHBondContact O-N 2.93Å; S1218-L1222 WeakPolarHBondContact O-CB 3.49Å; S1218-L1222 PolarHBondContact O-N 2.96Å |
| 1219 | M | 62.2 | Low | 58.5 | Low | 54 Ų | 54 | 75.8 Ų | 75.8 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 175.9 | -170.5 | 177.6 | 80 | 0 | 0 | 111.8 | Q1215 Q1217 A1221 L1222 E1223 | Q1215-M1219 WeakPolarHBondContact O-CB 3.4Å; Q1215-M1219 PolarHBondContact O-N 2.92Å; Q1217-M1219 VanDerWaalsContact C-N 3.33Å; Q1217-M1219 PolarHBondContact O-N 2.78Å; M1219-A1221 VanDerWaalsContact C-N 3.27Å; M1219-A1221 PolarHBondContact O-N 3.23Å; M1219-L1222 WeakPolarHBondContact O-CB 3.42Å; M1219-L1222 PolarHBondContact O-N 3.12Å; M1219-E1223 PolarHBondContact O-N 2.96Å |
| 1220 | L | 56.7 | Low | 59.6 | Low | 69 Ų | 69 | 70.5 Ų | 70.5 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -33.8 | 176.4 | -70.5 | 168.1 | 0 | 0 | 0 | 112.6 | K1216 Q1217 A1224 | K1216-L1220 HydrophobicContact CG-CD1 4.31Å; K1216-L1220 WeakPolarHBondContact O-CG 3.33Å; K1216-L1220 PolarHBondContact O-N 3.19Å; K1216-L1220 VanDerWaalsContact O-N 3.08Å; Q1217-L1220 PolarHBondContact O-N 3.48Å; L1220-A1224 WeakPolarHBondContact O-CB 3.36Å; L1220-A1224 PolarHBondContact O-N 2.84Å; L1220-A1224 VanDerWaalsContact O-N 3.09Å |
| 1221 | A | 56.9 | Low | 60.7 | Low | 50 Ų | 50 | 67.3 Ų | 67.3 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1217 S1218 M1219 A1224 K1225 | Q1217-A1221 WeakPolarHBondContact O-CB 3.49Å; Q1217-A1221 PolarHBondContact O-N 2.74Å; S1218-A1221 PolarHBondContact O-N 2.93Å; M1219-A1221 VanDerWaalsContact C-N 3.27Å; M1219-A1221 PolarHBondContact O-N 3.23Å; A1221-A1224 PolarHBondContact O-N 2.88Å; A1221-K1225 PolarHBondContact O-N 3.45Å |
| 1222 | L | 62.8 | Low | 61.8 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 175.2 | -170 | 69.1 | 0 | 0 | 0 | 111.6 | S1218 M1219 A1224 K1225 L1226 K1296 E1297 L1300 | S1218-L1222 WeakPolarHBondContact O-CB 3.49Å; S1218-L1222 PolarHBondContact O-N 2.96Å; M1219-L1222 WeakPolarHBondContact O-CB 3.42Å; M1219-L1222 PolarHBondContact O-N 3.12Å; L1222-A1224 VanDerWaalsContact C-N 3.27Å; L1222-A1224 PolarHBondContact O-N 3.01Å; L1222-K1225 PolarHBondContact O-N 3.15Å; L1222-L1226 VanDerWaalsContact O-CB 3.27Å; L1222-L1226 WeakPolarHBondContact O-CB 3.22Å; L1222-L1226 PolarHBondContact O-N 3.05Å; L1222-K1296 HydrophobicContact CD2-CB 4.05Å; L1222-E1297 HydrophobicContact CD2-CB 4.31Å; L1222-L1300 HydrophobicContact CD2-CD1 3.75Å |
| 1223 | E | 65.1 | Low | 62.7 | Low | 88 Ų | 88 | 60.8 Ų | 60.8 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.7 | -43.8 | 171.5 | -72.8 | 175.6 | -151.2 | 0 | 0 | 111.2 | M1219 K1227 | M1219-E1223 PolarHBondContact O-N 2.96Å; E1223-K1227 WeakPolarHBondContact O-CB 3.33Å; E1223-K1227 PolarHBondContact O-N 2.85Å |
| 1224 | A | 57.4 | Low | 63.8 | Low | 17 Ų | 17 | 60.3 Ų | 60.3 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1220 A1221 L1222 L1226 K1227 Y1228 L1359 | L1220-A1224 WeakPolarHBondContact O-CB 3.36Å; L1220-A1224 PolarHBondContact O-N 2.84Å; L1220-A1224 VanDerWaalsContact O-N 3.09Å; A1221-A1224 PolarHBondContact O-N 2.88Å; L1222-A1224 VanDerWaalsContact C-N 3.27Å; L1222-A1224 PolarHBondContact O-N 3.01Å; A1224-L1226 VanDerWaalsContact C-N 3.35Å; A1224-L1226 PolarHBondContact O-N 3.45Å; A1224-K1227 PolarHBondContact O-N 3.16Å; A1224-Y1228 WeakPolarHBondContact O-CB 3.48Å; A1224-Y1228 PolarHBondContact O-N 3.28Å; A1224-L1359 HydrophobicContact CB-CD2 3.97Å |
| 1225 | K | 66.2 | Low | 65.2 | Low | 74 Ų | 74 | 61.6 Ų | 61.6 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.7 | -77.3 | -176.5 | 173.2 | 179.5 | 0 | 111.4 | A1221 L1222 T1229 E1334 | A1221-K1225 PolarHBondContact O-N 3.45Å; L1222-K1225 PolarHBondContact O-N 3.15Å; K1225-T1229 PolarHBondContact O-N 3.34Å; K1225-T1229 VanDerWaalsContact O-N 3.14Å; K1225-T1229 PolarHBondContact O-OG1 2.86Å; K1225-E1334 IonicContact NZ-OE1 3.93Å; K1225-E1334 PolarHBondContact NZ-OE1 3.13Å |
| 1226 | L | 70 | Confident | 66.1 | Low | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 175.9 | 176.6 | 64.7 | 0 | 0 | 0 | 112.3 | L1222 A1224 T1229 Q1230 N1290 C1293 K1294 E1297 | L1222-L1226 VanDerWaalsContact O-CB 3.27Å; L1222-L1226 WeakPolarHBondContact O-CB 3.22Å; L1222-L1226 PolarHBondContact O-N 3.05Å; A1224-L1226 VanDerWaalsContact C-N 3.35Å; A1224-L1226 PolarHBondContact O-N 3.45Å; L1226-T1229 PolarHBondContact O-N 3.45Å; L1226-T1229 PolarHBondContact O-OG1 3.21Å; L1226-Q1230 VanDerWaalsContact O-CG 3.31Å; L1226-Q1230 WeakPolarHBondContact O-CG 3.33Å; L1226-Q1230 PolarHBondContact O-N 3.37Å; L1226-N1290 WeakPolarHBondContact CD1-OD1 3.38Å; L1226-C1293 HydrophobicContact CB-CB 4.21Å; L1226-C1293 HydrophobicContact CD1-CB 3.72Å; L1226-K1294 HydrophobicContact CD1-CG 3.77Å; L1226-K1294 HydrophobicContact CD2-CG 4.36Å; L1226-E1297 WeakPolarHBondContact CD2-OE2 3.24Å |
| 1227 | K | 66.7 | Low | 67 | Low | 91 Ų | 91 | 55.1 Ų | 55.1 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.3 | -36.4 | -178.2 | -170.9 | 173.4 | -174.3 | 174.2 | 0 | 112.7 | E1223 A1224 L1231 Y1390 | E1223-K1227 WeakPolarHBondContact O-CB 3.33Å; E1223-K1227 PolarHBondContact O-N 2.85Å; A1224-K1227 PolarHBondContact O-N 3.16Å; K1227-L1231 WeakPolarHBondContact O-CG 3.33Å; K1227-L1231 PolarHBondContact O-N 3.42Å; K1227-Y1390 PolarHBondContact NZ-OH 2.86Å |
| 1228 | Y | 68.9 | Low | 68.3 | Low | 52 Ų | 52 | 53 Ų | 53 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -49 | 171.8 | 174.3 | -98.8 | 0 | 0 | 0 | 111.4 | A1224 Q1230 L1231 E1232 C1342 F1347 I1365 | A1224-Y1228 WeakPolarHBondContact O-CB 3.48Å; A1224-Y1228 PolarHBondContact O-N 3.28Å; Y1228-Q1230 VanDerWaalsContact C-N 3.33Å; Y1228-Q1230 PolarHBondContact O-N 3.21Å; Y1228-L1231 PolarHBondContact O-N 2.97Å; Y1228-L1231 VanDerWaalsContact O-N 3.16Å; Y1228-E1232 PolarHBondContact O-N 3.12Å; Y1228-C1342 PolarHBondContact OH-SG 3.39Å; Y1228-C1342 VanDerWaalsContact OH-SG 3.36Å; Y1228-F1347 HydrophobicContact CD2-CE2 4.32Å; Y1228-I1365 HydrophobicContact CE2-CG2 4.3Å |
| 1229 | T | 67.8 | Low | 69.4 | Low | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -31.5 | -179.5 | 46.3 | 0 | 0 | 0 | 0 | 113 | K1225 L1226 V1233 I1289 F1337 | K1225-T1229 PolarHBondContact O-N 3.34Å; K1225-T1229 VanDerWaalsContact O-N 3.14Å; K1225-T1229 PolarHBondContact O-OG1 2.86Å; L1226-T1229 PolarHBondContact O-N 3.45Å; L1226-T1229 PolarHBondContact O-OG1 3.21Å; T1229-V1233 WeakPolarHBondContact O-CB 3.26Å; T1229-V1233 VanDerWaalsContact O-CG2 3.25Å; T1229-V1233 WeakPolarHBondContact O-CG2 3.3Å; T1229-V1233 PolarHBondContact O-N 2.81Å; T1229-I1289 HydrophobicContact CG2-CG2 3.61Å; T1229-F1337 HydrophobicContact CG2-CE1 3.67Å; T1229-F1337 HydrophobicContact CG2-CZ 3.97Å |
| 1230 | Q | 72.4 | Confident | 70.2 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 169.3 | -74.2 | 172.4 | 18.1 | 0 | 0 | 112.3 | L1226 Y1228 V1233 E1234 | L1226-Q1230 VanDerWaalsContact O-CG 3.31Å; L1226-Q1230 WeakPolarHBondContact O-CG 3.33Å; L1226-Q1230 PolarHBondContact O-N 3.37Å; Y1228-Q1230 VanDerWaalsContact C-N 3.33Å; Y1228-Q1230 PolarHBondContact O-N 3.21Å; Q1230-V1233 PolarHBondContact O-N 2.8Å; Q1230-E1234 PolarHBondContact O-N 3.23Å |
| 1231 | L | 71.8 | Confident | 71.5 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 41% | 0.408 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 177.8 | -69.9 | 169.3 | 0 | 0 | 0 | 112.6 | K1227 Y1228 E1234 R1235 I1365 | K1227-L1231 WeakPolarHBondContact O-CG 3.33Å; K1227-L1231 PolarHBondContact O-N 3.42Å; Y1228-L1231 PolarHBondContact O-N 2.97Å; Y1228-L1231 VanDerWaalsContact O-N 3.16Å; L1231-E1234 PolarHBondContact O-N 3.37Å; L1231-R1235 PolarHBondContact O-N 3.36Å; L1231-I1365 HydrophobicContact CD1-CD1 4.26Å |
| 1232 | E | 74.1 | Confident | 72.8 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 176.9 | -179.9 | 58.8 | -171 | 0 | 0 | 111.8 | Y1228 E1234 R1235 L1236 | Y1228-E1232 PolarHBondContact O-N 3.12Å; E1232-E1234 VanDerWaalsContact C-N 3.32Å; E1232-E1234 PolarHBondContact O-N 3Å; E1232-R1235 PolarHBondContact O-N 2.93Å; E1232-R1235 IonicContact OE1-CZ 3.7Å; E1232-R1235 IonicContact OE1-NE 2.81Å; E1232-R1235 IonicContact OE1-NH2 3.74Å; E1232-R1235 PolarHBondContact OE1-NH2 2.89Å; E1232-R1235 IonicContact OE2-CZ 3.37Å; E1232-R1235 IonicContact OE2-NE 3.19Å; E1232-R1235 PolarHBondContact OE2-NE 3.35Å; E1232-R1235 IonicContact OE2-NH2 2.71Å; E1232-R1235 PolarHBondContact OE2-NH2 2.99Å; E1232-L1236 HydrophobicContact CG-CD1 3.95Å; E1232-L1236 HydrophobicContact CG-CG 4.3Å; E1232-L1236 WeakPolarHBondContact O-CB 3.38Å; E1232-L1236 VanDerWaalsContact O-CG 3.25Å; E1232-L1236 WeakPolarHBondContact O-CG 3.42Å; E1232-L1236 PolarHBondContact O-N 3.21Å; E1232-L1236 WeakPolarHBondContact OE1-CG 3.44Å |
| 1233 | V | 74.6 | Confident | 73.7 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 170.6 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | T1229 Q1230 N1237 N1286 | T1229-V1233 WeakPolarHBondContact O-CB 3.26Å; T1229-V1233 VanDerWaalsContact O-CG2 3.25Å; T1229-V1233 WeakPolarHBondContact O-CG2 3.3Å; T1229-V1233 PolarHBondContact O-N 2.81Å; Q1230-V1233 PolarHBondContact O-N 2.8Å; V1233-N1237 WeakPolarHBondContact CG1-ND2 3.43Å; V1233-N1237 VanDerWaalsContact O-CB 3.25Å; V1233-N1237 WeakPolarHBondContact O-CB 3.28Å; V1233-N1237 PolarHBondContact O-N 3.46Å; V1233-N1237 PolarHBondContact O-ND2 2.79Å; V1233-N1286 HydrophobicContact CG2-CB 3.57Å |
| 1234 | E | 74.4 | Confident | 74.8 | Confident | 124 Ų | 124 | 60.9 Ų | 60.9 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 173 | -73.4 | -172.6 | 167.4 | 0 | 0 | 112.2 | Q1230 L1231 E1232 N1237 S1238 | Q1230-E1234 PolarHBondContact O-N 3.23Å; L1231-E1234 PolarHBondContact O-N 3.37Å; E1232-E1234 VanDerWaalsContact C-N 3.32Å; E1232-E1234 PolarHBondContact O-N 3Å; E1234-N1237 PolarHBondContact O-N 2.97Å; E1234-S1238 PolarHBondContact O-N 3.09Å |
| 1235 | R | 78.7 | Confident | 76.2 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.8 | -53.8 | 178.5 | -166.7 | -171.7 | 69.9 | 78.3 | 6.8 | 111.3 | L1231 E1232 N1237 S1238 E1239 | L1231-R1235 PolarHBondContact O-N 3.36Å; E1232-R1235 PolarHBondContact O-N 2.93Å; E1232-R1235 IonicContact OE1-CZ 3.7Å; E1232-R1235 IonicContact OE1-NE 2.81Å; E1232-R1235 IonicContact OE1-NH2 3.74Å; E1232-R1235 PolarHBondContact OE1-NH2 2.89Å; E1232-R1235 IonicContact OE2-CZ 3.37Å; E1232-R1235 IonicContact OE2-NE 3.19Å; E1232-R1235 PolarHBondContact OE2-NE 3.35Å; E1232-R1235 IonicContact OE2-NH2 2.71Å; E1232-R1235 PolarHBondContact OE2-NH2 2.99Å; R1235-N1237 VanDerWaalsContact C-N 3.3Å; R1235-N1237 PolarHBondContact O-N 3.45Å; R1235-S1238 WeakPolarHBondContact O-CA 3.48Å; R1235-S1238 WeakPolarHBondContact O-CB 3.01Å; R1235-S1238 PolarHBondContact O-N 2.86Å; R1235-S1238 PolarHBondContact O-OG 3.31Å; R1235-E1239 IonicContact CZ-OE1 3.09Å; R1235-E1239 IonicContact CZ-OE2 2.67Å; R1235-E1239 IonicContact NH1-OE1 2.74Å; R1235-E1239 PolarHBondContact NH1-OE1 2.98Å; R1235-E1239 IonicContact NH1-OE2 3.33Å; R1235-E1239 PolarHBondContact NH1-OE2 2.9Å; R1235-E1239 PolarHBondContact O-N 2.85Å |
| 1236 | L | 76.5 | Confident | 77 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 177.8 | -66 | 169.5 | 0 | 0 | 0 | 111.7 | E1232 S1238 E1239 A1240 Y1279 K1282 L1283 | E1232-L1236 HydrophobicContact CG-CD1 3.95Å; E1232-L1236 HydrophobicContact CG-CG 4.3Å; E1232-L1236 WeakPolarHBondContact O-CB 3.38Å; E1232-L1236 VanDerWaalsContact O-CG 3.25Å; E1232-L1236 WeakPolarHBondContact O-CG 3.42Å; E1232-L1236 PolarHBondContact O-N 3.21Å; E1232-L1236 WeakPolarHBondContact OE1-CG 3.44Å; L1236-S1238 VanDerWaalsContact C-N 3.31Å; L1236-S1238 PolarHBondContact O-N 2.63Å; L1236-E1239 PolarHBondContact O-N 3.04Å; L1236-A1240 WeakPolarHBondContact O-CB 3.32Å; L1236-A1240 PolarHBondContact O-N 3.15Å; L1236-Y1279 HydrophobicContact CD2-CD1 3.6Å; L1236-Y1279 HydrophobicContact CD2-CE1 3.77Å; L1236-K1282 HydrophobicContact CD1-CB 4.01Å; L1236-K1282 HydrophobicContact CD2-CB 4.18Å; L1236-K1282 HydrophobicContact CD2-CD 4.35Å; L1236-L1283 HydrophobicContact CB-CD1 3.56Å |
| 1237 | N | 78.7 | Confident | 77.7 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 172.5 | -93.5 | -67.8 | 0 | 0 | 0 | 112.7 | V1233 E1234 R1235 R1241 L1283 | V1233-N1237 WeakPolarHBondContact CG1-ND2 3.43Å; V1233-N1237 VanDerWaalsContact O-CB 3.25Å; V1233-N1237 WeakPolarHBondContact O-CB 3.28Å; V1233-N1237 PolarHBondContact O-N 3.46Å; V1233-N1237 PolarHBondContact O-ND2 2.79Å; E1234-N1237 PolarHBondContact O-N 2.97Å; R1235-N1237 VanDerWaalsContact C-N 3.3Å; R1235-N1237 PolarHBondContact O-N 3.45Å; N1237-R1241 WeakPolarHBondContact O-CB 3.37Å; N1237-R1241 WeakPolarHBondContact O-CG 3.3Å; N1237-R1241 PolarHBondContact O-N 3.41Å; N1237-R1241 PolarHBondContact O-NE 3.45Å; N1237-L1283 HydrophobicContact CB-CD1 4.25Å |
| 1238 | S | 77.1 | Confident | 78.5 | Confident | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | 176.9 | 79.9 | 0 | 0 | 0 | 0 | 111.7 | E1234 R1235 L1236 R1241 R1242 | E1234-S1238 PolarHBondContact O-N 3.09Å; R1235-S1238 WeakPolarHBondContact O-CA 3.48Å; R1235-S1238 WeakPolarHBondContact O-CB 3.01Å; R1235-S1238 PolarHBondContact O-N 2.86Å; R1235-S1238 PolarHBondContact O-OG 3.31Å; L1236-S1238 VanDerWaalsContact C-N 3.31Å; L1236-S1238 PolarHBondContact O-N 2.63Å; S1238-R1241 PolarHBondContact O-N 2.97Å; S1238-R1242 PolarHBondContact O-N 3.14Å |
| 1239 | E | 78 | Confident | 79.2 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.6 | -40.2 | -178.9 | -74.7 | 168.1 | -164.8 | 0 | 0 | 112.2 | R1235 L1236 R1241 R1242 L1243 Y1279 | R1235-E1239 IonicContact CZ-OE1 3.09Å; R1235-E1239 IonicContact CZ-OE2 2.67Å; R1235-E1239 IonicContact NH1-OE1 2.74Å; R1235-E1239 PolarHBondContact NH1-OE1 2.98Å; R1235-E1239 IonicContact NH1-OE2 3.33Å; R1235-E1239 PolarHBondContact NH1-OE2 2.9Å; R1235-E1239 PolarHBondContact O-N 2.85Å; L1236-E1239 PolarHBondContact O-N 3.04Å; E1239-R1241 VanDerWaalsContact C-N 3.32Å; E1239-R1241 PolarHBondContact O-N 2.75Å; E1239-R1242 PolarHBondContact O-N 2.97Å; E1239-L1243 WeakPolarHBondContact O-CB 3.27Å; E1239-L1243 WeakPolarHBondContact O-CG 3.46Å; E1239-L1243 PolarHBondContact O-N 2.97Å; E1239-Y1279 HydrophobicContact CB-CD1 4.25Å; E1239-Y1279 HydrophobicContact CB-CE1 4.12Å; E1239-Y1279 WeakPolarHBondContact OE2-CE1 3.35Å; E1239-Y1279 PolarHBondContact OE2-OH 3.26Å |
| 1240 | A | 80 | Confident | 79.7 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 7% | 0.066 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1236 L1243 K1244 L1276 | L1236-A1240 WeakPolarHBondContact O-CB 3.32Å; L1236-A1240 PolarHBondContact O-N 3.15Å; A1240-L1243 PolarHBondContact O-N 2.69Å; A1240-K1244 WeakPolarHBondContact O-CG 3.35Å; A1240-K1244 PolarHBondContact O-N 3.21Å; A1240-L1276 HydrophobicContact CB-CD1 4.22Å |
| 1241 | R | 83.6 | Confident | 80.1 | Confident | 154 Ų | 154 | 71.3 Ų | 71.3 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | 174.1 | -79.3 | 178 | -72.1 | -176.7 | -1.1 | 112.2 | N1237 S1238 E1239 K1244 Q1245 | N1237-R1241 WeakPolarHBondContact O-CB 3.37Å; N1237-R1241 WeakPolarHBondContact O-CG 3.3Å; N1237-R1241 PolarHBondContact O-N 3.41Å; N1237-R1241 PolarHBondContact O-NE 3.45Å; S1238-R1241 PolarHBondContact O-N 2.97Å; E1239-R1241 VanDerWaalsContact C-N 3.32Å; E1239-R1241 PolarHBondContact O-N 2.75Å; R1241-K1244 PolarHBondContact O-N 3.36Å; R1241-Q1245 WeakPolarHBondContact O-CG 3.43Å; R1241-Q1245 PolarHBondContact O-N 3.03Å |
| 1242 | R | 83.3 | Confident | 80.3 | Confident | 170 Ų | 170 | 71.3 Ų | 71.3 | 64% | 0.642 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 173.9 | 173.8 | -179.2 | 157.4 | 97 | 0.5 | 111.7 | S1238 E1239 Q1245 L1246 | S1238-R1242 PolarHBondContact O-N 3.14Å; E1239-R1242 PolarHBondContact O-N 2.97Å; R1242-Q1245 PolarHBondContact O-N 3.28Å; R1242-L1246 PolarHBondContact O-N 3.38Å |
| 1243 | L | 83.3 | Confident | 80.2 | Confident | 29 Ų | 29 | 75.7 Ų | 75.7 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 177.7 | -74.9 | 172.5 | 0 | 0 | 0 | 112.3 | E1239 A1240 L1246 L1247 L1272 L1276 Y1279 | E1239-L1243 WeakPolarHBondContact O-CB 3.27Å; E1239-L1243 WeakPolarHBondContact O-CG 3.46Å; E1239-L1243 PolarHBondContact O-N 2.97Å; A1240-L1243 PolarHBondContact O-N 2.69Å; L1243-L1246 PolarHBondContact O-N 3.11Å; L1243-L1247 WeakPolarHBondContact O-CB 3.49Å; L1243-L1247 PolarHBondContact O-N 3.44Å; L1243-L1272 HydrophobicContact CD2-CD2 4.28Å; L1243-L1276 HydrophobicContact CB-CD1 4.08Å; L1243-Y1279 HydrophobicContact CD1-CD2 3.45Å; L1243-Y1279 VanDerWaalsContact CD1-CD2 3.45Å; L1243-Y1279 HydrophobicContact CD1-CE2 3.93Å; L1243-Y1279 HydrophobicContact CD1-CG 4.24Å |
| 1244 | K | 86.7 | Confident | 79.7 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 173.5 | -77.3 | 179.4 | 177.9 | 179.8 | 0 | 112.5 | A1240 R1241 L1247 E1248 L1276 E1280 | A1240-K1244 WeakPolarHBondContact O-CG 3.35Å; A1240-K1244 PolarHBondContact O-N 3.21Å; R1241-K1244 PolarHBondContact O-N 3.36Å; K1244-L1247 PolarHBondContact O-N 3.27Å; K1244-E1248 PolarHBondContact O-N 3.31Å; K1244-E1248 VanDerWaalsContact O-N 3.16Å; K1244-L1276 HydrophobicContact CD-CD1 4.47Å; K1244-L1276 HydrophobicContact CD-CD2 4.4Å; K1244-L1276 HydrophobicContact CG-CD1 3.87Å; K1244-L1276 HydrophobicContact CG-CD2 3.57Å; K1244-L1276 HydrophobicContact CG-CG 4.38Å; K1244-E1280 WeakPolarHBondContact CE-OE1 3.32Å; K1244-E1280 IonicContact NZ-OE1 3.71Å; K1244-E1280 PolarHBondContact NZ-OE1 2.92Å |
| 1245 | Q | 86.6 | Confident | 79 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 174.1 | -73.6 | 176.9 | -14.6 | 0 | 0 | 112 | R1241 R1242 L1249 | R1241-Q1245 WeakPolarHBondContact O-CG 3.43Å; R1241-Q1245 PolarHBondContact O-N 3.03Å; R1242-Q1245 PolarHBondContact O-N 3.28Å; Q1245-L1249 VanDerWaalsContact O-CG 3.3Å; Q1245-L1249 WeakPolarHBondContact O-CG 3.15Å; Q1245-L1249 PolarHBondContact O-N 3.04Å; Q1245-L1249 VanDerWaalsContact O-N 3.08Å |
| 1246 | L | 83.5 | Confident | 78.2 | Confident | 70 Ų | 70 | 81 Ų | 81 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.5 | -144.3 | 91.2 | 0 | 0 | 0 | 111.5 | R1242 L1243 E1248 L1249 T1250 L1272 | R1242-L1246 PolarHBondContact O-N 3.38Å; L1243-L1246 PolarHBondContact O-N 3.11Å; L1246-E1248 PolarHBondContact O-N 2.98Å; L1246-L1249 PolarHBondContact O-N 3.49Å; L1246-T1250 PolarHBondContact O-N 3Å; L1246-T1250 PolarHBondContact O-OG1 3.17Å; L1246-T1250 VanDerWaalsContact O-OG1 3.1Å; L1246-L1272 HydrophobicContact CD2-CD1 4.29Å; L1246-L1272 HydrophobicContact CD2-CD2 3.74Å |
| 1247 | L | 85.2 | Confident | 77.1 | Confident | 18 Ų | 18 | 86.5 Ų | 86.5 | 9% | 0.094 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | -179.2 | -173.2 | 69.4 | 0 | 0 | 0 | 112.2 | L1243 K1244 T1250 K1251 L1269 L1272 L1276 | L1243-L1247 WeakPolarHBondContact O-CB 3.49Å; L1243-L1247 PolarHBondContact O-N 3.44Å; K1244-L1247 PolarHBondContact O-N 3.27Å; L1247-T1250 PolarHBondContact O-N 3.11Å; L1247-K1251 HydrophobicContact CG-CD 4.48Å; L1247-K1251 VanDerWaalsContact O-CG 3.31Å; L1247-K1251 WeakPolarHBondContact O-CG 3.36Å; L1247-K1251 PolarHBondContact O-N 3.46Å; L1247-L1269 HydrophobicContact CD1-CD2 3.86Å; L1247-L1272 HydrophobicContact CD1-CB 3.9Å; L1247-L1276 HydrophobicContact CD2-CD2 4.32Å |
| 1248 | E | 83.4 | Confident | 75.7 | Confident | 96 Ų | 96 | 90.7 Ų | 90.7 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.2 | -32.1 | 175.8 | -63.9 | -50.7 | 139.3 | 0 | 0 | 112.9 | K1244 L1246 K1251 T1252 | K1244-E1248 PolarHBondContact O-N 3.31Å; K1244-E1248 VanDerWaalsContact O-N 3.16Å; L1246-E1248 PolarHBondContact O-N 2.98Å; E1248-K1251 WeakPolarHBondContact OE1-CD 3.31Å; E1248-K1251 IonicContact OE1-NZ 2.72Å; E1248-K1251 PolarHBondContact OE1-NZ 3.22Å; E1248-K1251 VanDerWaalsContact OE2-CD 3.23Å; E1248-K1251 WeakPolarHBondContact OE2-CD 3.39Å; E1248-K1251 IonicContact OE2-NZ 3.24Å; E1248-T1252 WeakPolarHBondContact O-CB 3.23Å; E1248-T1252 WeakPolarHBondContact O-CG2 3.46Å; E1248-T1252 PolarHBondContact O-N 3.39Å; E1248-T1252 PolarHBondContact O-OG1 3.2Å |
| 1249 | L | 83 | Confident | 74.6 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 52% | 0.518 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 170.4 | -72.6 | 168.9 | 0 | 0 | 0 | 111.5 | Q1245 L1246 T1252 Q1253 | Q1245-L1249 VanDerWaalsContact O-CG 3.3Å; Q1245-L1249 WeakPolarHBondContact O-CG 3.15Å; Q1245-L1249 PolarHBondContact O-N 3.04Å; Q1245-L1249 VanDerWaalsContact O-N 3.08Å; L1246-L1249 PolarHBondContact O-N 3.49Å; L1249-T1252 PolarHBondContact O-OG1 3.43Å; L1249-Q1253 WeakPolarHBondContact O-CB 3.32Å; L1249-Q1253 VanDerWaalsContact O-CG 3.24Å; L1249-Q1253 WeakPolarHBondContact O-CG 3.46Å; L1249-Q1253 PolarHBondContact O-N 3.27Å; L1249-Q1253 VanDerWaalsContact O-N 3.12Å |
| 1250 | T | 78.7 | Confident | 73.4 | Confident | 29 Ų | 29 | 102 Ų | 102 | 18% | 0.178 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.2 | -47.6 | 174.8 | -55 | 0 | 0 | 0 | 0 | 111.4 | L1246 L1247 T1252 Q1253 T1254 L1269 | L1246-T1250 PolarHBondContact O-N 3Å; L1246-T1250 PolarHBondContact O-OG1 3.17Å; L1246-T1250 VanDerWaalsContact O-OG1 3.1Å; L1247-T1250 PolarHBondContact O-N 3.11Å; T1250-T1252 VanDerWaalsContact C-N 3.33Å; T1250-T1252 PolarHBondContact O-N 3.3Å; T1250-Q1253 PolarHBondContact O-N 3.18Å; T1250-Q1253 VanDerWaalsContact O-N 3.08Å; T1250-T1254 HydrophobicContact CG2-CG2 4.36Å; T1250-T1254 PolarHBondContact O-N 2.8Å; T1250-T1254 PolarHBondContact O-OG1 3.29Å; T1250-L1269 HydrophobicContact CG2-CD2 3.64Å; T1250-L1269 HydrophobicContact CG2-CG 4.05Å |
| 1251 | K | 80.4 | Confident | 72.2 | Confident | 87 Ų | 87 | 105.1 Ų | 105.1 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57 | -42.3 | 176 | -74.2 | 167.2 | 173.8 | -178.8 | 0 | 113.1 | L1247 E1248 Q1253 T1254 C1255 L1269 | L1247-K1251 HydrophobicContact CG-CD 4.48Å; L1247-K1251 VanDerWaalsContact O-CG 3.31Å; L1247-K1251 WeakPolarHBondContact O-CG 3.36Å; L1247-K1251 PolarHBondContact O-N 3.46Å; E1248-K1251 WeakPolarHBondContact OE1-CD 3.31Å; E1248-K1251 IonicContact OE1-NZ 2.72Å; E1248-K1251 PolarHBondContact OE1-NZ 3.22Å; E1248-K1251 VanDerWaalsContact OE2-CD 3.23Å; E1248-K1251 WeakPolarHBondContact OE2-CD 3.39Å; E1248-K1251 IonicContact OE2-NZ 3.24Å; K1251-Q1253 VanDerWaalsContact C-N 3.26Å; K1251-Q1253 PolarHBondContact O-N 2.78Å; K1251-T1254 PolarHBondContact O-OG1 3.25Å; K1251-C1255 WeakPolarHBondContact O-CB 3.37Å; K1251-C1255 PolarHBondContact O-N 3.49Å; K1251-C1255 VanDerWaalsContact O-N 3.13Å; K1251-L1269 HydrophobicContact CG-CD2 4.07Å |
| 1252 | T | 77.2 | Confident | 70.7 | Confident | 78 Ų | 78 | 102 Ų | 102 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76.4 | -12.7 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | E1248 L1249 T1250 | E1248-T1252 WeakPolarHBondContact O-CB 3.23Å; E1248-T1252 WeakPolarHBondContact O-CG2 3.46Å; E1248-T1252 PolarHBondContact O-N 3.39Å; E1248-T1252 PolarHBondContact O-OG1 3.2Å; L1249-T1252 PolarHBondContact O-OG1 3.43Å; T1250-T1252 VanDerWaalsContact C-N 3.33Å; T1250-T1252 PolarHBondContact O-N 3.3Å |
| 1253 | Q | 70.9 | Confident | 69.3 | Low | 123 Ų | 123 | 97.7 Ų | 97.7 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -87.8 | -44.6 | 168.8 | -73.5 | 172.6 | 3.3 | 0 | 0 | 112.2 | L1249 T1250 K1251 C1255 K1256 | L1249-Q1253 WeakPolarHBondContact O-CB 3.32Å; L1249-Q1253 VanDerWaalsContact O-CG 3.24Å; L1249-Q1253 WeakPolarHBondContact O-CG 3.46Å; L1249-Q1253 PolarHBondContact O-N 3.27Å; L1249-Q1253 VanDerWaalsContact O-N 3.12Å; T1250-Q1253 PolarHBondContact O-N 3.18Å; T1250-Q1253 VanDerWaalsContact O-N 3.08Å; K1251-Q1253 VanDerWaalsContact C-N 3.26Å; K1251-Q1253 PolarHBondContact O-N 2.78Å; Q1253-C1255 VanDerWaalsContact C-N 3.28Å; Q1253-C1255 PolarHBondContact O-N 3.14Å; Q1253-K1256 PolarHBondContact O-N 2.84Å |
| 1254 | T | 65.7 | Low | 67.9 | Low | 42 Ų | 42 | 100 Ų | 100 | 26% | 0.258 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | 178 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | T1250 K1251 K1256 Q1257 L1269 | T1250-T1254 HydrophobicContact CG2-CG2 4.36Å; T1250-T1254 PolarHBondContact O-N 2.8Å; T1250-T1254 PolarHBondContact O-OG1 3.29Å; K1251-T1254 PolarHBondContact O-OG1 3.25Å; T1254-K1256 PolarHBondContact O-N 2.95Å; T1254-Q1257 PolarHBondContact O-N 2.75Å; T1254-L1269 HydrophobicContact CG2-CD1 4.34Å |
| 1255 | C | 59.5 | Low | 66.7 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 76% | 0.764 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -1.5 | 172.2 | -161.8 | 0 | 0 | 0 | 0 | 114.4 | K1251 Q1253 | K1251-C1255 WeakPolarHBondContact O-CB 3.37Å; K1251-C1255 PolarHBondContact O-N 3.49Å; K1251-C1255 VanDerWaalsContact O-N 3.13Å; Q1253-C1255 VanDerWaalsContact C-N 3.28Å; Q1253-C1255 PolarHBondContact O-N 3.14Å |
| 1256 | K | 60.1 | Low | 65.9 | Low | 182 Ų | 182 | 93.9 Ų | 93.9 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 8.6 | 179.5 | -65.3 | -177.2 | 179.1 | 179.7 | 0 | 114.5 | Q1253 T1254 | Q1253-K1256 PolarHBondContact O-N 2.84Å; T1254-K1256 PolarHBondContact O-N 2.95Å |
| 1257 | Q | 54 | Low | 65.3 | Low | 116 Ų | 116 | 96 Ų | 96 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -113.7 | 147.6 | 179.8 | -68.8 | -173.6 | -18.1 | 0 | 0 | 111.7 | T1254 | T1254-Q1257 PolarHBondContact O-N 2.75Š|
| 1258 | D | 50.1 | Low | 64.8 | Low | 143 Ų | 143 | 101.2 Ų | 101.2 | 77% | 0.765 | 54% | 0.538 | S | S | * | . | trans | -66.9 | 154.6 | -178.3 | -84.5 | -56.9 | 0 | 0 | 0 | 112.8 | N1260 T1261 | D1258-N1260 PolarHBondContact O-N 3.09Å; D1258-T1261 PolarHBondContact O-N 2.87Å | ||
| 1259 | K | 52.6 | Low | 64.7 | Low | 184 Ų | 184 | 98.1 Ų | 98.1 | 80% | 0.8 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -60.1 | -8.1 | -165.6 | -68.4 | -173.6 | 175.6 | -176.3 | 0 | 116.6 | ||
| 1260 | N | 52.9 | Low | 64.5 | Low | 164 Ų | 164 | 96.5 Ų | 96.5 | 88% | 0.877 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -91.8 | 4.1 | -176.1 | -67 | -1.2 | 0 | 0 | 0 | 113.9 | D1258 | D1258-N1260 PolarHBondContact O-N 3.09Š|
| 1261 | T | 54.8 | Low | 64.4 | Low | 74 Ų | 74 | 98.2 Ų | 98.2 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -121.4 | 14.6 | -179.5 | -31.6 | 0 | 0 | 0 | 0 | 113.9 | D1258 S1265 | D1258-T1261 PolarHBondContact O-N 2.87Å; T1261-S1265 PolarHBondContact O-OG 2.83Å |
| 1262 | L | 52.1 | Low | 64.5 | Low | 87 Ų | 87 | 95.1 Ų | 95.1 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | trans | -66.3 | -42.1 | -177 | -93.6 | 73 | 0 | 0 | 0 | 113.8 | S1264 S1265 D1266 | L1262-S1264 PolarHBondContact O-N 2.95Å; L1262-S1265 WeakPolarHBondContact O-CA 3.37Å; L1262-S1265 VanDerWaalsContact O-CB 3.22Å; L1262-S1265 WeakPolarHBondContact O-CB 3.39Å; L1262-S1265 PolarHBondContact O-N 3.09Å; L1262-D1266 PolarHBondContact O-N 2.85Å | ||
| 1263 | A | 54.6 | Low | 64.7 | Low | 80 Ų | 80 | 94 Ų | 94 | 66% | 0.661 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.9 | -51.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1265 D1267 | A1263-S1265 PolarHBondContact O-N 3.22Å; A1263-D1267 PolarHBondContact O-N 2.94Å |
| 1264 | S | 55.1 | Low | 65.2 | Low | 79 Ų | 79 | 91.8 Ų | 91.8 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.4 | -10.4 | 177.5 | 63.7 | 0 | 0 | 0 | 0 | 114 | L1262 | L1262-S1264 PolarHBondContact O-N 2.95Å |
| 1265 | S | 60.7 | Low | 65.9 | Low | 20 Ų | 20 | 92 Ų | 92 | 14% | 0.14 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -84.8 | -38.7 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | T1261 L1262 A1263 H1268 L1269 | T1261-S1265 PolarHBondContact O-OG 2.83Å; L1262-S1265 WeakPolarHBondContact O-CA 3.37Å; L1262-S1265 VanDerWaalsContact O-CB 3.22Å; L1262-S1265 WeakPolarHBondContact O-CB 3.39Å; L1262-S1265 PolarHBondContact O-N 3.09Å; A1263-S1265 PolarHBondContact O-N 3.22Å; S1265-H1268 PolarHBondContact O-N 2.7Å; S1265-L1269 WeakPolarHBondContact O-CG 3.45Å; S1265-L1269 PolarHBondContact O-N 3.21Å |
| 1266 | D | 69.2 | Low | 67.1 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 177.3 | -67.6 | -37.8 | 0 | 0 | 0 | 111.5 | L1262 H1268 L1269 S1270 | L1262-D1266 PolarHBondContact O-N 2.85Å; D1266-H1268 VanDerWaalsContact C-N 3.31Å; D1266-H1268 PolarHBondContact O-N 3.45Å; D1266-L1269 PolarHBondContact O-N 2.69Å; D1266-S1270 WeakPolarHBondContact O-CB 3.36Å; D1266-S1270 PolarHBondContact O-N 2.98Å |
| 1267 | D | 71.3 | Confident | 68.2 | Low | 115 Ų | 115 | 81 Ų | 81 | 62% | 0.615 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -54.8 | -47.1 | 170.1 | -76.2 | -25.7 | 0 | 0 | 0 | 111.3 | A1263 L1269 S1270 S1271 | A1263-D1267 PolarHBondContact O-N 2.94Å; D1267-L1269 PolarHBondContact O-N 3.42Å; D1267-S1270 PolarHBondContact O-N 2.79Å; D1267-S1270 PolarHBondContact O-OG 2.77Å; D1267-S1271 PolarHBondContact O-N 2.82Å |
| 1268 | H | 74.8 | Confident | 69.5 | Low | 126 Ų | 126 | 77.7 Ų | 77.7 | 58% | 0.583 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.2 | -36.1 | -178.3 | -130.2 | -62.2 | 0 | 0 | 0 | 112.7 | S1265 D1266 L1272 | S1265-H1268 PolarHBondContact O-N 2.7Å; D1266-H1268 VanDerWaalsContact C-N 3.31Å; D1266-H1268 PolarHBondContact O-N 3.45Å; H1268-L1272 WeakPolarHBondContact O-CG 3.39Å; H1268-L1272 PolarHBondContact O-N 2.84Å; H1268-L1272 VanDerWaalsContact O-N 3.16Å |
| 1269 | L | 81.2 | Confident | 70.7 | Confident | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 172.2 | -76.9 | 168.6 | 0 | 0 | 0 | 111.8 | L1247 T1250 K1251 T1254 S1265 D1266 D1267 S1271 L1272 S1273 | L1247-L1269 HydrophobicContact CD1-CD2 3.86Å; T1250-L1269 HydrophobicContact CG2-CD2 3.64Å; T1250-L1269 HydrophobicContact CG2-CG 4.05Å; K1251-L1269 HydrophobicContact CG-CD2 4.07Å; T1254-L1269 HydrophobicContact CG2-CD1 4.34Å; S1265-L1269 WeakPolarHBondContact O-CG 3.45Å; S1265-L1269 PolarHBondContact O-N 3.21Å; D1266-L1269 PolarHBondContact O-N 2.69Å; D1267-L1269 PolarHBondContact O-N 3.42Å; L1269-S1271 VanDerWaalsContact C-N 3.35Å; L1269-S1271 PolarHBondContact O-N 3.04Å; L1269-L1272 PolarHBondContact O-N 3.12Å; L1269-S1273 WeakPolarHBondContact O-CB 3.43Å; L1269-S1273 PolarHBondContact O-N 3.17Å |
| 1270 | S | 77.9 | Confident | 72.2 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 177.6 | 83.2 | 0 | 0 | 0 | 0 | 112 | D1266 D1267 S1273 S1274 | D1266-S1270 WeakPolarHBondContact O-CB 3.36Å; D1266-S1270 PolarHBondContact O-N 2.98Å; D1267-S1270 PolarHBondContact O-N 2.79Å; D1267-S1270 PolarHBondContact O-OG 2.77Å; S1270-S1273 PolarHBondContact O-N 2.95Å; S1270-S1274 VanDerWaalsContact O-CB 3.32Å; S1270-S1274 WeakPolarHBondContact O-CB 3.47Å; S1270-S1274 PolarHBondContact O-N 2.77Å; S1270-S1274 PolarHBondContact O-OG 3.04Å |
| 1271 | S | 78.1 | Confident | 73.4 | Confident | 66 Ų | 66 | 69 Ų | 69 | 46% | 0.462 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | D1267 L1269 S1275 | D1267-S1271 PolarHBondContact O-N 2.82Å; L1269-S1271 VanDerWaalsContact C-N 3.35Å; L1269-S1271 PolarHBondContact O-N 3.04Å; S1271-S1275 WeakPolarHBondContact O-CB 3.44Å; S1271-S1275 PolarHBondContact O-N 3Å; S1271-S1275 PolarHBondContact O-OG 3.45Å |
| 1272 | L | 80.9 | Confident | 74.4 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 174.6 | -73.1 | 171.1 | 0 | 0 | 0 | 112.3 | L1243 L1246 L1247 H1268 L1269 S1275 L1276 | L1243-L1272 HydrophobicContact CD2-CD2 4.28Å; L1246-L1272 HydrophobicContact CD2-CD1 4.29Å; L1246-L1272 HydrophobicContact CD2-CD2 3.74Å; L1247-L1272 HydrophobicContact CD1-CB 3.9Å; H1268-L1272 WeakPolarHBondContact O-CG 3.39Å; H1268-L1272 PolarHBondContact O-N 2.84Å; H1268-L1272 VanDerWaalsContact O-N 3.16Å; L1269-L1272 PolarHBondContact O-N 3.12Å; L1272-S1275 PolarHBondContact O-N 3.17Å; L1272-L1276 WeakPolarHBondContact O-CB 3.35Å; L1272-L1276 PolarHBondContact O-N 3.18Å |
| 1273 | S | 82.5 | Confident | 75.7 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | L1269 S1270 S1275 L1276 S1277 | L1269-S1273 WeakPolarHBondContact O-CB 3.43Å; L1269-S1273 PolarHBondContact O-N 3.17Å; S1270-S1273 PolarHBondContact O-N 2.95Å; S1273-S1275 VanDerWaalsContact C-N 3.33Å; S1273-S1275 PolarHBondContact O-N 2.94Å; S1273-L1276 PolarHBondContact O-N 3.37Å; S1273-S1277 WeakPolarHBondContact O-CB 3.32Å; S1273-S1277 PolarHBondContact O-N 3Å; S1273-S1277 PolarHBondContact O-OG 2.87Å |
| 1274 | S | 82.2 | Confident | 76.8 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | S1270 S1277 S1278 | S1270-S1274 VanDerWaalsContact O-CB 3.32Å; S1270-S1274 WeakPolarHBondContact O-CB 3.47Å; S1270-S1274 PolarHBondContact O-N 2.77Å; S1270-S1274 PolarHBondContact O-OG 3.04Å; S1274-S1277 PolarHBondContact O-N 3.47Å; S1274-S1278 PolarHBondContact O-N 2.88Å; S1274-S1278 VanDerWaalsContact O-N 3.1Å |
| 1275 | S | 80.1 | Confident | 77.7 | Confident | 46 Ų | 46 | 68 Ų | 68 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 173.8 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | S1271 L1272 S1273 S1277 S1278 Y1279 | S1271-S1275 WeakPolarHBondContact O-CB 3.44Å; S1271-S1275 PolarHBondContact O-N 3Å; S1271-S1275 PolarHBondContact O-OG 3.45Å; L1272-S1275 PolarHBondContact O-N 3.17Å; S1273-S1275 VanDerWaalsContact C-N 3.33Å; S1273-S1275 PolarHBondContact O-N 2.94Å; S1275-S1277 PolarHBondContact O-N 3.03Å; S1275-S1278 VanDerWaalsContact O-CB 3.29Å; S1275-S1278 WeakPolarHBondContact O-CB 3.46Å; S1275-S1278 PolarHBondContact O-N 2.75Å; S1275-S1278 VanDerWaalsContact O-N 3.11Å; S1275-Y1279 WeakPolarHBondContact O-CD2 3.35Å; S1275-Y1279 PolarHBondContact O-N 3.41Å; S1275-Y1279 VanDerWaalsContact O-N 3.14Å |
| 1276 | L | 84.7 | Confident | 78.1 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 178.4 | 178.4 | 61 | 0 | 0 | 0 | 111.7 | A1240 L1243 K1244 L1247 L1272 S1273 S1278 Y1279 E1280 | A1240-L1276 HydrophobicContact CB-CD1 4.22Å; L1243-L1276 HydrophobicContact CB-CD1 4.08Å; K1244-L1276 HydrophobicContact CD-CD1 4.47Å; K1244-L1276 HydrophobicContact CD-CD2 4.4Å; K1244-L1276 HydrophobicContact CG-CD1 3.87Å; K1244-L1276 HydrophobicContact CG-CD2 3.57Å; K1244-L1276 HydrophobicContact CG-CG 4.38Å; L1247-L1276 HydrophobicContact CD2-CD2 4.32Å; L1272-L1276 WeakPolarHBondContact O-CB 3.35Å; L1272-L1276 PolarHBondContact O-N 3.18Å; S1273-L1276 PolarHBondContact O-N 3.37Å; L1276-S1278 PolarHBondContact O-N 3.01Å; L1276-Y1279 PolarHBondContact O-N 3.39Å; L1276-Y1279 VanDerWaalsContact O-N 3.07Å; L1276-E1280 HydrophobicContact CD1-CG 4.18Å; L1276-E1280 HydrophobicContact CG-CG 4.46Å; L1276-E1280 PolarHBondContact O-N 3.12Å |
| 1277 | S | 82 | Confident | 78.3 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.7 | -16 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 113.5 | S1273 S1274 S1275 R1281 | S1273-S1277 WeakPolarHBondContact O-CB 3.32Å; S1273-S1277 PolarHBondContact O-N 3Å; S1273-S1277 PolarHBondContact O-OG 2.87Å; S1274-S1277 PolarHBondContact O-N 3.47Å; S1275-S1277 PolarHBondContact O-N 3.03Å; S1277-R1281 WeakPolarHBondContact O-CG 3.24Å; S1277-R1281 PolarHBondContact O-NE 3.46Å |
| 1278 | S | 82.6 | Confident | 78.3 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.9 | -46.5 | 168.8 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | S1274 S1275 L1276 R1281 K1282 | S1274-S1278 PolarHBondContact O-N 2.88Å; S1274-S1278 VanDerWaalsContact O-N 3.1Å; S1275-S1278 VanDerWaalsContact O-CB 3.29Å; S1275-S1278 WeakPolarHBondContact O-CB 3.46Å; S1275-S1278 PolarHBondContact O-N 2.75Å; S1275-S1278 VanDerWaalsContact O-N 3.11Å; L1276-S1278 PolarHBondContact O-N 3.01Å; S1278-R1281 PolarHBondContact O-N 2.98Å; S1278-K1282 PolarHBondContact O-N 3.18Å; S1278-K1282 VanDerWaalsContact O-N 3.15Å |
| 1279 | Y | 75.4 | Confident | 77.8 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 26% | 0.255 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 177 | -84.1 | -77.6 | 0 | 0 | 0 | 113.2 | L1236 E1239 L1243 S1275 L1276 K1282 L1283 | L1236-Y1279 HydrophobicContact CD2-CD1 3.6Å; L1236-Y1279 HydrophobicContact CD2-CE1 3.77Å; E1239-Y1279 HydrophobicContact CB-CD1 4.25Å; E1239-Y1279 HydrophobicContact CB-CE1 4.12Å; E1239-Y1279 WeakPolarHBondContact OE2-CE1 3.35Å; E1239-Y1279 PolarHBondContact OE2-OH 3.26Å; L1243-Y1279 HydrophobicContact CD1-CD2 3.45Å; L1243-Y1279 VanDerWaalsContact CD1-CD2 3.45Å; L1243-Y1279 HydrophobicContact CD1-CE2 3.93Å; L1243-Y1279 HydrophobicContact CD1-CG 4.24Å; S1275-Y1279 WeakPolarHBondContact O-CD2 3.35Å; S1275-Y1279 PolarHBondContact O-N 3.41Å; S1275-Y1279 VanDerWaalsContact O-N 3.14Å; L1276-Y1279 PolarHBondContact O-N 3.39Å; L1276-Y1279 VanDerWaalsContact O-N 3.07Å; Y1279-K1282 PolarHBondContact O-N 2.71Å; Y1279-L1283 PolarHBondContact O-N 3.05Å |
| 1280 | E | 82.7 | Confident | 77.3 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 178.7 | -68.6 | -175.7 | 132 | 0 | 0 | 112.4 | K1244 L1276 L1283 T1284 | K1244-E1280 WeakPolarHBondContact CE-OE1 3.32Å; K1244-E1280 IonicContact NZ-OE1 3.71Å; K1244-E1280 PolarHBondContact NZ-OE1 2.92Å; L1276-E1280 HydrophobicContact CD1-CG 4.18Å; L1276-E1280 HydrophobicContact CG-CG 4.46Å; L1276-E1280 PolarHBondContact O-N 3.12Å; E1280-L1283 VanDerWaalsContact O-CB 3.28Å; E1280-L1283 WeakPolarHBondContact O-CB 3.36Å; E1280-L1283 PolarHBondContact O-N 3.16Å; E1280-T1284 PolarHBondContact O-N 3.34Å; E1280-T1284 VanDerWaalsContact O-N 3.08Å; E1280-T1284 PolarHBondContact O-OG1 3.33Å |
| 1281 | R | 78.8 | Confident | 76.9 | Confident | 175 Ų | 175 | 59.1 Ų | 59.1 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 172.4 | -78.9 | -178.7 | -73.3 | 167.5 | -3.8 | 112.4 | S1277 S1278 L1283 T1284 Q1285 | S1277-R1281 WeakPolarHBondContact O-CG 3.24Å; S1277-R1281 PolarHBondContact O-NE 3.46Å; S1278-R1281 PolarHBondContact O-N 2.98Å; R1281-L1283 VanDerWaalsContact C-N 3.25Å; R1281-L1283 PolarHBondContact O-N 3.02Å; R1281-T1284 PolarHBondContact O-N 3.18Å; R1281-Q1285 PolarHBondContact O-N 2.81Å; R1281-Q1285 VanDerWaalsContact O-N 3.13Å |
| 1282 | K | 76.5 | Confident | 76.3 | Confident | 98 Ų | 98 | 58 Ų | 58 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -34.4 | 173.6 | -70.5 | -174.6 | 177.3 | -170 | 0 | 112.2 | L1236 S1278 Y1279 N1286 | L1236-K1282 HydrophobicContact CD1-CB 4.01Å; L1236-K1282 HydrophobicContact CD2-CB 4.18Å; L1236-K1282 HydrophobicContact CD2-CD 4.35Å; S1278-K1282 PolarHBondContact O-N 3.18Å; S1278-K1282 VanDerWaalsContact O-N 3.15Å; Y1279-K1282 PolarHBondContact O-N 2.71Å; K1282-N1286 PolarHBondContact O-N 3.02Å; K1282-N1286 VanDerWaalsContact O-N 3.14Å; K1282-N1286 PolarHBondContact O-ND2 2.81Å |
| 1283 | L | 78.9 | Confident | 75.2 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -50 | 175.8 | -152.5 | 89.9 | 0 | 0 | 0 | 111.3 | L1236 N1237 Y1279 E1280 R1281 Q1285 N1286 S1287 | L1236-L1283 HydrophobicContact CB-CD1 3.56Å; N1237-L1283 HydrophobicContact CB-CD1 4.25Å; Y1279-L1283 PolarHBondContact O-N 3.05Å; E1280-L1283 VanDerWaalsContact O-CB 3.28Å; E1280-L1283 WeakPolarHBondContact O-CB 3.36Å; E1280-L1283 PolarHBondContact O-N 3.16Å; R1281-L1283 VanDerWaalsContact C-N 3.25Å; R1281-L1283 PolarHBondContact O-N 3.02Å; L1283-Q1285 PolarHBondContact O-N 3.47Å; L1283-N1286 PolarHBondContact O-N 3.23Å; L1283-S1287 WeakPolarHBondContact O-CB 3.4Å; L1283-S1287 PolarHBondContact O-N 3.45Å; L1283-S1287 PolarHBondContact O-OG 2.61Å |
| 1284 | T | 78.1 | Confident | 74.3 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.3 | -48.3 | 179.9 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | E1280 R1281 N1286 S1287 H1288 | E1280-T1284 PolarHBondContact O-N 3.34Å; E1280-T1284 VanDerWaalsContact O-N 3.08Å; E1280-T1284 PolarHBondContact O-OG1 3.33Å; R1281-T1284 PolarHBondContact O-N 3.18Å; T1284-N1286 PolarHBondContact O-N 2.74Å; T1284-S1287 PolarHBondContact O-N 2.82Å; T1284-S1287 PolarHBondContact O-OG 2.96Å; T1284-H1288 PolarHBondContact O-N 3.43Å; T1284-H1288 VanDerWaalsContact O-N 3.09Å |
| 1285 | Q | 72.5 | Confident | 73.5 | Confident | 65 Ų | 65 | 59 Ų | 59 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 178.4 | -173.4 | 179.3 | 1.2 | 0 | 0 | 112.1 | R1281 L1283 S1287 H1288 I1289 T1336 | R1281-Q1285 PolarHBondContact O-N 2.81Å; R1281-Q1285 VanDerWaalsContact O-N 3.13Å; L1283-Q1285 PolarHBondContact O-N 3.47Å; Q1285-S1287 VanDerWaalsContact C-N 3.32Å; Q1285-S1287 PolarHBondContact O-N 3.21Å; Q1285-H1288 PolarHBondContact O-N 2.94Å; Q1285-I1289 HydrophobicContact CG-CD1 4.24Å; Q1285-I1289 WeakPolarHBondContact O-CB 3.43Å; Q1285-I1289 WeakPolarHBondContact O-CG1 3.13Å; Q1285-I1289 PolarHBondContact O-N 2.96Å; Q1285-T1336 PolarHBondContact NE2-O 2.96Å |
| 1286 | N | 69.6 | Low | 72.5 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.1 | -27.3 | 179.5 | -75.3 | -80.4 | 0 | 0 | 0 | 113.3 | V1233 K1282 L1283 T1284 N1290 | V1233-N1286 HydrophobicContact CG2-CB 3.57Å; K1282-N1286 PolarHBondContact O-N 3.02Å; K1282-N1286 VanDerWaalsContact O-N 3.14Å; K1282-N1286 PolarHBondContact O-ND2 2.81Å; L1283-N1286 PolarHBondContact O-N 3.23Å; T1284-N1286 PolarHBondContact O-N 2.74Å; N1286-N1290 WeakPolarHBondContact O-CB 3.44Å; N1286-N1290 PolarHBondContact O-N 3.19Å |
| 1287 | S | 73.4 | Confident | 71.2 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 175.4 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | L1283 T1284 Q1285 N1290 G1291 | L1283-S1287 WeakPolarHBondContact O-CB 3.4Å; L1283-S1287 PolarHBondContact O-N 3.45Å; L1283-S1287 PolarHBondContact O-OG 2.61Å; T1284-S1287 PolarHBondContact O-N 2.82Å; T1284-S1287 PolarHBondContact O-OG 2.96Å; Q1285-S1287 VanDerWaalsContact C-N 3.32Å; Q1285-S1287 PolarHBondContact O-N 3.21Å; S1287-N1290 PolarHBondContact O-N 2.92Å; S1287-G1291 PolarHBondContact O-N 2.71Å |
| 1288 | H | 72.4 | Confident | 70.2 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 51% | 0.514 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 174.5 | -177 | -91.9 | 0 | 0 | 0 | 110.9 | T1284 Q1285 N1290 G1291 Q1292 | T1284-H1288 PolarHBondContact O-N 3.43Å; T1284-H1288 VanDerWaalsContact O-N 3.09Å; Q1285-H1288 PolarHBondContact O-N 2.94Å; H1288-N1290 PolarHBondContact O-N 3.23Å; H1288-G1291 WeakPolarHBondContact O-CA 3.48Å; H1288-G1291 PolarHBondContact O-N 2.93Å; H1288-G1291 VanDerWaalsContact O-N 3.13Å; H1288-Q1292 PolarHBondContact CE1-NE2 3.5Å; H1288-Q1292 PolarHBondContact CE1-OE1 3.3Å; H1288-Q1292 PolarHBondContact ND1-OE1 2.81Å; H1288-Q1292 VanDerWaalsContact ND1-OE1 3.08Å; H1288-Q1292 PolarHBondContact O-N 2.61Å |
| 1289 | I | 62.7 | Low | 69 | Low | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -52.6 | -49.3 | 173.3 | -84.4 | 168.5 | 0 | 0 | 0 | 112.2 | T1229 Q1285 G1291 Q1292 C1293 F1337 | T1229-I1289 HydrophobicContact CG2-CG2 3.61Å; Q1285-I1289 HydrophobicContact CG-CD1 4.24Å; Q1285-I1289 WeakPolarHBondContact O-CB 3.43Å; Q1285-I1289 WeakPolarHBondContact O-CG1 3.13Å; Q1285-I1289 PolarHBondContact O-N 2.96Å; I1289-G1291 VanDerWaalsContact C-N 3.27Å; I1289-G1291 PolarHBondContact O-N 3.23Å; I1289-Q1292 PolarHBondContact O-N 3.21Å; I1289-Q1292 VanDerWaalsContact O-N 3.07Å; I1289-C1293 PolarHBondContact O-N 3.23Å; I1289-F1337 HydrophobicContact CB-CE2 4.26Å; I1289-F1337 HydrophobicContact CB-CZ 4.27Å; I1289-F1337 HydrophobicContact CD1-CD1 4.17Å; I1289-F1337 HydrophobicContact CD1-CD2 3.97Å; I1289-F1337 HydrophobicContact CD1-CE1 4.3Å; I1289-F1337 HydrophobicContact CD1-CE2 4.1Å; I1289-F1337 HydrophobicContact CD1-CG 4.04Å; I1289-F1337 HydrophobicContact CD1-CZ 4.3Å; I1289-F1337 HydrophobicContact CG1-CD2 4.08Å; I1289-F1337 HydrophobicContact CG1-CE2 3.85Å; I1289-F1337 HydrophobicContact CG1-CZ 4.24Å; I1289-F1337 HydrophobicContact CG2-CD2 4.49Å; I1289-F1337 HydrophobicContact CG2-CE1 3.75Å; I1289-F1337 HydrophobicContact CG2-CE2 3.57Å; I1289-F1337 HydrophobicContact CG2-CZ 3.16Å |
| 1290 | N | 70.7 | Confident | 67.9 | Low | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -37 | 179 | -173.5 | -4.9 | 0 | 0 | 0 | 111.5 | L1226 N1286 S1287 H1288 K1294 | L1226-N1290 WeakPolarHBondContact CD1-OD1 3.38Å; N1286-N1290 WeakPolarHBondContact O-CB 3.44Å; N1286-N1290 PolarHBondContact O-N 3.19Å; S1287-N1290 PolarHBondContact O-N 2.92Å; H1288-N1290 PolarHBondContact O-N 3.23Å; N1290-K1294 WeakPolarHBondContact O-CG 3.44Å; N1290-K1294 PolarHBondContact O-N 3.48Å; N1290-K1294 WeakPolarHBondContact OD1-CE 3.43Å |
| 1291 | G | 70.4 | Confident | 66.5 | Low | 43 Ų | 43 | 64.2 Ų | 64.2 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1287 H1288 I1289 K1294 S1295 | S1287-G1291 PolarHBondContact O-N 2.71Å; H1288-G1291 WeakPolarHBondContact O-CA 3.48Å; H1288-G1291 PolarHBondContact O-N 2.93Å; H1288-G1291 VanDerWaalsContact O-N 3.13Å; I1289-G1291 VanDerWaalsContact C-N 3.27Å; I1289-G1291 PolarHBondContact O-N 3.23Å; G1291-K1294 PolarHBondContact O-N 3.35Å; G1291-S1295 PolarHBondContact O-N 2.65Å; G1291-S1295 VanDerWaalsContact O-N 3.09Å |
| 1292 | Q | 65.2 | Low | 65.1 | Low | 43 Ų | 43 | 59.5 Ų | 59.5 | 20% | 0.201 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.4 | -33.5 | 179.1 | -69.5 | 177.8 | -50.8 | 0 | 0 | 113.3 | H1288 I1289 S1295 K1296 I1333 | H1288-Q1292 PolarHBondContact CE1-NE2 3.5Å; H1288-Q1292 PolarHBondContact CE1-OE1 3.3Å; H1288-Q1292 PolarHBondContact ND1-OE1 2.81Å; H1288-Q1292 VanDerWaalsContact ND1-OE1 3.08Å; H1288-Q1292 PolarHBondContact O-N 2.61Å; I1289-Q1292 PolarHBondContact O-N 3.21Å; I1289-Q1292 VanDerWaalsContact O-N 3.07Å; Q1292-S1295 PolarHBondContact O-OG 3.46Å; Q1292-K1296 PolarHBondContact O-N 3.44Å; Q1292-I1333 HydrophobicContact CB-CD1 4.24Å; Q1292-I1333 HydrophobicContact CB-CG2 4.07Å; Q1292-I1333 HydrophobicContact CG-CD1 4.43Å |
| 1293 | C | 58.5 | Low | 63.7 | Low | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.4 | -43 | 172 | -69.2 | 0 | 0 | 0 | 0 | 111.5 | L1226 I1289 S1295 K1296 E1297 | L1226-C1293 HydrophobicContact CB-CB 4.21Å; L1226-C1293 HydrophobicContact CD1-CB 3.72Å; I1289-C1293 PolarHBondContact O-N 3.23Å; C1293-S1295 PolarHBondContact O-N 3.32Å; C1293-K1296 PolarHBondContact O-N 2.69Å; C1293-E1297 WeakPolarHBondContact O-CB 3.28Å; C1293-E1297 PolarHBondContact O-N 2.87Å |
| 1294 | K | 63.9 | Low | 62 | Low | 105 Ų | 105 | 60.4 Ų | 60.4 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | 178.3 | -73 | -176.3 | 177.9 | -168.5 | 0 | 113.8 | L1226 N1290 G1291 E1297 S1298 | L1226-K1294 HydrophobicContact CD1-CG 3.77Å; L1226-K1294 HydrophobicContact CD2-CG 4.36Å; N1290-K1294 WeakPolarHBondContact O-CG 3.44Å; N1290-K1294 PolarHBondContact O-N 3.48Å; N1290-K1294 WeakPolarHBondContact OD1-CE 3.43Å; G1291-K1294 PolarHBondContact O-N 3.35Å; K1294-E1297 PolarHBondContact O-N 3.24Å; K1294-S1298 PolarHBondContact O-N 3.28Å; K1294-S1298 PolarHBondContact O-OG 3.11Å |
| 1295 | S | 65.3 | Low | 60.2 | Low | 62 Ų | 62 | 61 Ų | 61 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 174.8 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | G1291 Q1292 C1293 E1297 S1298 S1299 | G1291-S1295 PolarHBondContact O-N 2.65Å; G1291-S1295 VanDerWaalsContact O-N 3.09Å; Q1292-S1295 PolarHBondContact O-OG 3.46Å; C1293-S1295 PolarHBondContact O-N 3.32Å; S1295-E1297 PolarHBondContact O-N 2.81Å; S1295-S1298 PolarHBondContact O-N 3.26Å; S1295-S1298 PolarHBondContact O-OG 3.22Å; S1295-S1299 PolarHBondContact O-N 2.91Å; S1295-S1299 VanDerWaalsContact O-N 3.1Å |
| 1296 | K | 58.4 | Low | 58.5 | Low | 50 Ų | 50 | 65.3 Ų | 65.3 | 22% | 0.217 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64 | -34.9 | 173 | -76 | -166.6 | 172 | -176.4 | 0 | 113.2 | L1222 Q1292 C1293 S1299 L1300 L1329 | L1222-K1296 HydrophobicContact CD2-CB 4.05Å; Q1292-K1296 PolarHBondContact O-N 3.44Å; C1293-K1296 PolarHBondContact O-N 2.69Å; K1296-S1299 PolarHBondContact O-OG 3.29Å; K1296-S1299 VanDerWaalsContact O-OG 3.11Å; K1296-L1300 WeakPolarHBondContact O-CG 3.41Å; K1296-L1300 PolarHBondContact O-N 2.73Å; K1296-L1329 PolarHBondContact NZ-O 2.9Å; K1296-L1329 VanDerWaalsContact NZ-O 3.16Å |
| 1297 | E | 58.1 | Low | 57 | Low | 67 Ų | 67 | 68.4 Ų | 68.4 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 172.6 | -178.3 | 179.2 | -139.8 | 0 | 0 | 111.2 | L1222 L1226 C1293 K1294 S1295 S1299 L1300 L1301 | L1222-E1297 HydrophobicContact CD2-CB 4.31Å; L1226-E1297 WeakPolarHBondContact CD2-OE2 3.24Å; C1293-E1297 WeakPolarHBondContact O-CB 3.28Å; C1293-E1297 PolarHBondContact O-N 2.87Å; K1294-E1297 PolarHBondContact O-N 3.24Å; S1295-E1297 PolarHBondContact O-N 2.81Å; E1297-S1299 PolarHBondContact O-N 3.04Å; E1297-L1300 PolarHBondContact O-N 2.72Å; E1297-L1301 HydrophobicContact CG-CD1 4.28Å; E1297-L1301 WeakPolarHBondContact O-CG 3.46Å; E1297-L1301 PolarHBondContact O-N 3.48Å; E1297-L1301 VanDerWaalsContact O-N 3.14Å |
| 1298 | S | 59.9 | Low | 55.2 | Low | 73 Ų | 73 | 69.2 Ų | 69.2 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | -180 | 70 | 0 | 0 | 0 | 0 | 114.4 | K1294 S1295 S1302 | K1294-S1298 PolarHBondContact O-N 3.28Å; K1294-S1298 PolarHBondContact O-OG 3.11Å; S1295-S1298 PolarHBondContact O-N 3.26Å; S1295-S1298 PolarHBondContact O-OG 3.22Å; S1298-S1302 PolarHBondContact O-N 2.84Å |
| 1299 | S | 57 | Low | 53.5 | Low | 57 Ų | 57 | 69.5 Ų | 69.5 | 40% | 0.399 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.3 | -41.4 | 175.9 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | S1295 K1296 E1297 L1301 S1302 S1303 | S1295-S1299 PolarHBondContact O-N 2.91Å; S1295-S1299 VanDerWaalsContact O-N 3.1Å; K1296-S1299 PolarHBondContact O-OG 3.29Å; K1296-S1299 VanDerWaalsContact O-OG 3.11Å; E1297-S1299 PolarHBondContact O-N 3.04Å; S1299-L1301 PolarHBondContact O-N 2.96Å; S1299-S1302 PolarHBondContact O-N 2.68Å; S1299-S1302 PolarHBondContact O-OG 3.14Å; S1299-S1303 PolarHBondContact O-N 2.98Å |
| 1300 | L | 53.3 | Low | 52.2 | Low | 53 Ų | 53 | 73.8 Ų | 73.8 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 176 | -75.1 | 167.3 | 0 | 0 | 0 | 112 | L1222 K1296 E1297 S1302 S1303 E1304 | L1222-L1300 HydrophobicContact CD2-CD1 3.75Å; K1296-L1300 WeakPolarHBondContact O-CG 3.41Å; K1296-L1300 PolarHBondContact O-N 2.73Å; E1297-L1300 PolarHBondContact O-N 2.72Å; L1300-S1302 VanDerWaalsContact C-N 3.28Å; L1300-S1302 PolarHBondContact O-N 2.88Å; L1300-S1303 WeakPolarHBondContact O-CB 3.4Å; L1300-S1303 PolarHBondContact O-N 3.03Å; L1300-S1303 PolarHBondContact O-OG 2.85Å; L1300-E1304 PolarHBondContact O-N 3.3Å |
| 1301 | L | 52 | Low | 50.6 | Low | 100 Ų | 100 | 80.1 Ų | 80.1 | 52% | 0.524 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 177 | -74.2 | 166.5 | 0 | 0 | 0 | 112.8 | E1297 S1299 S1303 E1304 L1305 | E1297-L1301 HydrophobicContact CG-CD1 4.28Å; E1297-L1301 WeakPolarHBondContact O-CG 3.46Å; E1297-L1301 PolarHBondContact O-N 3.48Å; E1297-L1301 VanDerWaalsContact O-N 3.14Å; S1299-L1301 PolarHBondContact O-N 2.96Å; L1301-S1303 VanDerWaalsContact C-N 3.25Å; L1301-S1303 PolarHBondContact O-N 3.22Å; L1301-E1304 PolarHBondContact O-N 3.13Å; L1301-L1305 PolarHBondContact O-N 3.24Å |
| 1302 | S | 51.1 | Low | 48.6 | Very low | 77 Ų | 77 | 84.8 Ų | 84.8 | 54% | 0.538 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.3 | -29.9 | 175.3 | 79.7 | 0 | 0 | 0 | 0 | 113.2 | S1298 S1299 L1300 F1306 | S1298-S1302 PolarHBondContact O-N 2.84Å; S1299-S1302 PolarHBondContact O-N 2.68Å; S1299-S1302 PolarHBondContact O-OG 3.14Å; L1300-S1302 VanDerWaalsContact C-N 3.28Å; L1300-S1302 PolarHBondContact O-N 2.88Å; S1302-F1306 PolarHBondContact O-N 3.03Å |
| 1303 | S | 47.1 | Very low | 47 | Very low | 40 Ų | 40 | 92.1 Ų | 92.1 | 28% | 0.28 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.4 | -36.5 | -179.6 | 78.6 | 0 | 0 | 0 | 0 | 113.1 | S1299 L1300 L1301 L1305 F1306 V1307 | S1299-S1303 PolarHBondContact O-N 2.98Å; L1300-S1303 WeakPolarHBondContact O-CB 3.4Å; L1300-S1303 PolarHBondContact O-N 3.03Å; L1300-S1303 PolarHBondContact O-OG 2.85Å; L1301-S1303 VanDerWaalsContact C-N 3.25Å; L1301-S1303 PolarHBondContact O-N 3.22Å; S1303-L1305 VanDerWaalsContact C-N 3.32Å; S1303-L1305 PolarHBondContact O-N 2.84Å; S1303-F1306 PolarHBondContact O-N 2.96Å; S1303-V1307 PolarHBondContact O-N 2.86Å |
| 1304 | E | 42.2 | Very low | 45.7 | Very low | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 175.4 | -72.8 | -150.4 | 125.4 | 0 | 0 | 112.2 | L1300 L1301 F1306 V1307 S1308 | L1300-E1304 PolarHBondContact O-N 3.3Å; L1301-E1304 PolarHBondContact O-N 3.13Å; E1304-F1306 VanDerWaalsContact C-N 3.34Å; E1304-F1306 PolarHBondContact O-N 2.95Å; E1304-V1307 PolarHBondContact O-N 2.91Å; E1304-S1308 WeakPolarHBondContact O-CB 3.38Å; E1304-S1308 PolarHBondContact O-N 2.82Å; E1304-S1308 PolarHBondContact O-OG 2.83Å |
| 1305 | L | 39.8 | Very low | 44.2 | Very low | 109 Ų | 109 | 102.6 Ų | 102.6 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.6 | -42.3 | 176.4 | -167.5 | 68.9 | 0 | 0 | 0 | 111.2 | L1301 S1303 S1308 I1309 | L1301-L1305 PolarHBondContact O-N 3.24Å; S1303-L1305 VanDerWaalsContact C-N 3.32Å; S1303-L1305 PolarHBondContact O-N 2.84Å; L1305-S1308 WeakPolarHBondContact O-CB 3.45Å; L1305-S1308 PolarHBondContact O-N 2.8Å; L1305-I1309 HydrophobicContact CG-CD1 4.26Å; L1305-I1309 WeakPolarHBondContact O-CG1 3.36Å; L1305-I1309 PolarHBondContact O-N 3.42Å; L1305-I1309 VanDerWaalsContact O-N 3.15Å |
| 1306 | F | 36.7 | Very low | 42.5 | Very low | 154 Ų | 154 | 104.9 Ų | 104.9 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.9 | -46.3 | 179.3 | -149.5 | -89.5 | 0 | 0 | 0 | 111.9 | S1302 S1303 E1304 S1308 I1309 S1310 | S1302-F1306 PolarHBondContact O-N 3.03Å; S1303-F1306 PolarHBondContact O-N 2.96Å; E1304-F1306 VanDerWaalsContact C-N 3.34Å; E1304-F1306 PolarHBondContact O-N 2.95Å; F1306-S1308 PolarHBondContact O-N 2.79Å; F1306-I1309 PolarHBondContact O-N 2.84Å; F1306-I1309 VanDerWaalsContact O-N 3.14Å; F1306-S1310 PolarHBondContact O-N 2.82Å; F1306-S1310 PolarHBondContact O-OG 2.98Å |
| 1307 | V | 40 | Very low | 41 | Very low | 78 Ų | 78 | 111.9 Ų | 111.9 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -24.5 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 112.5 | S1303 E1304 | S1303-V1307 PolarHBondContact O-N 2.86Å; E1304-V1307 PolarHBondContact O-N 2.91Å |
| 1308 | S | 34.6 | Very low | 39.7 | Very low | 79 Ų | 79 | 117.9 Ų | 117.9 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.5 | -33.9 | 175.2 | -60.8 | 0 | 0 | 0 | 0 | 113 | E1304 L1305 F1306 | E1304-S1308 WeakPolarHBondContact O-CB 3.38Å; E1304-S1308 PolarHBondContact O-N 2.82Å; E1304-S1308 PolarHBondContact O-OG 2.83Å; L1305-S1308 WeakPolarHBondContact O-CB 3.45Å; L1305-S1308 PolarHBondContact O-N 2.8Å; F1306-S1308 PolarHBondContact O-N 2.79Å |
| 1309 | I | 36.5 | Very low | 38.2 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 60% | 0.6 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.3 | -34.1 | -180 | -69.9 | 164.1 | 0 | 0 | 0 | 111.8 | L1305 F1306 K1311 D1312 | L1305-I1309 HydrophobicContact CG-CD1 4.26Å; L1305-I1309 WeakPolarHBondContact O-CG1 3.36Å; L1305-I1309 PolarHBondContact O-N 3.42Å; L1305-I1309 VanDerWaalsContact O-N 3.15Å; F1306-I1309 PolarHBondContact O-N 2.84Å; F1306-I1309 VanDerWaalsContact O-N 3.14Å; I1309-K1311 PolarHBondContact O-N 3.29Å; I1309-D1312 PolarHBondContact O-N 3.07Å |
| 1310 | S | 35.9 | Very low | 36.9 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 10.4 | -178.9 | -50.9 | 0 | 0 | 0 | 0 | 116.3 | F1306 | F1306-S1310 PolarHBondContact O-N 2.82Å; F1306-S1310 PolarHBondContact O-OG 2.98Å |
| 1311 | K | 36.3 | Very low | 35.9 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -13.5 | -179.7 | -74 | -177.4 | 177.3 | 174.7 | 0 | 114.8 | I1309 | I1309-K1311 PolarHBondContact O-N 3.29Š|
| 1312 | D | 28.9 | Very low | 35.1 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -111.3 | 114.6 | 179.2 | -89.7 | -52.5 | 0 | 0 | 0 | 112.3 | I1309 | I1309-D1312 PolarHBondContact O-N 3.07Š|
| 1313 | K | 31 | Very low | 34.2 | Very low | 198 Ų | 198 | 127.6 Ų | 127.6 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 85.6 | 139.7 | 175.4 | -54 | 170.9 | -176.3 | 171.9 | 0 | 116.7 | I1315 | K1313-I1315 PolarHBondContact O-N 3.37Š|
| 1314 | N | 32.3 | Very low | 33.5 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 91% | 0.914 | 70% | 0.697 | S | S | * | * | trans | -73.3 | 119.5 | 176.9 | -54.5 | -51.9 | 0 | 0 | 0 | 110.8 | ||||
| 1315 | I | 32.6 | Very low | 33.2 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | trans | -132.6 | 154.5 | 158.1 | -63.1 | -175.1 | 0 | 0 | 0 | 107.4 | K1313 | K1313-I1315 PolarHBondContact O-N 3.37Š| ||
| 1316 | S | 28 | Very low | 33 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -70.6 | 166.6 | -167.9 | 46 | 0 | 0 | 0 | 0 | 115.7 | E1318 | S1316-E1318 PolarHBondContact O-N 2.82Å; S1316-E1318 VanDerWaalsContact O-N 3.17Å | ||
| 1317 | E | 28.4 | Very low | 32.9 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 92% | 0.916 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -65.4 | 101 | -178.7 | -61 | 166.8 | 122.4 | 0 | 0 | 113 | ||
| 1318 | E | 30 | Very low | 32.5 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 91% | 0.907 | 70% | 0.703 | S | S | * | * | trans | -168.1 | 88.4 | 151.3 | -114.3 | 175.5 | -165.4 | 0 | 0 | 110.5 | S1316 | S1316-E1318 PolarHBondContact O-N 2.82Å; S1316-E1318 VanDerWaalsContact O-N 3.17Å | ||
| 1319 | A | 28.1 | Very low | 32.6 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | trans | -153.2 | 143.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1320 | H | 31 | Very low | 32.7 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | trans | -37.8 | 148.9 | -164.5 | -68.6 | -76 | 0 | 0 | 0 | 122 | ||||
| 1321 | N | 32.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | trans | -70.9 | 133.3 | 173.3 | -174.2 | -1 | 0 | 0 | 0 | 112.5 | S1323 | N1321-S1323 PolarHBondContact ND2-OG 2.89Å; N1321-S1323 PolarHBondContact O-N 3.22Å | ||
| 1322 | P | 33.8 | Very low | 32.3 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -63.3 | 1.1 | 179.3 | -25.5 | 35.6 | 0 | 0 | 0 | 117.5 | N1324 | P1322-N1324 PolarHBondContact O-N 2.65Š|
| 1323 | S | 33.5 | Very low | 32.6 | Very low | 56 Ų | 56 | 125.4 Ų | 125.4 | 39% | 0.392 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -62.4 | -36.9 | -177.1 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | N1321 I1325 K1326 | N1321-S1323 PolarHBondContact ND2-OG 2.89Å; N1321-S1323 PolarHBondContact O-N 3.22Å; S1323-I1325 PolarHBondContact O-N 2.91Å; S1323-K1326 PolarHBondContact O-N 3.16Å |
| 1324 | N | 32.3 | Very low | 32.8 | Very low | 103 Ų | 103 | 120 Ų | 120 | 55% | 0.551 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -76.6 | -19.9 | -163.8 | -69 | 19.1 | 0 | 0 | 0 | 114.5 | P1322 K1326 S1327 | P1322-N1324 PolarHBondContact O-N 2.65Å; N1324-K1326 PolarHBondContact O-N 3.38Å; N1324-S1327 PolarHBondContact O-N 3.33Å; N1324-S1327 PolarHBondContact O-OG 3.15Å |
| 1325 | I | 35.2 | Very low | 32.9 | Very low | 91 Ų | 91 | 115 Ų | 115 | 47% | 0.467 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.1 | -25.6 | 177.1 | -61.1 | 176.6 | 0 | 0 | 0 | 111 | S1323 | S1323-I1325 PolarHBondContact O-N 2.91Å |
| 1326 | K | 34.5 | Very low | 32.9 | Very low | 165 Ų | 165 | 110.1 Ų | 110.1 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.9 | -25.1 | 175.5 | -75.9 | -167 | 171.6 | -168.9 | 0 | 113.9 | S1323 N1324 | S1323-K1326 PolarHBondContact O-N 3.16Å; N1324-K1326 PolarHBondContact O-N 3.38Å |
| 1327 | S | 35.3 | Very low | 33.1 | Very low | 75 Ų | 75 | 107.4 Ų | 107.4 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.5 | -37 | 179.9 | 27.8 | 0 | 0 | 0 | 0 | 113.2 | N1324 L1329 N1330 | N1324-S1327 PolarHBondContact O-N 3.33Å; N1324-S1327 PolarHBondContact O-OG 3.15Å; S1327-L1329 VanDerWaalsContact C-N 3.28Å; S1327-L1329 PolarHBondContact O-N 2.86Å; S1327-N1330 PolarHBondContact O-N 3Å |
| 1328 | E | 32.3 | Very low | 33.4 | Very low | 145 Ų | 145 | 102.5 Ų | 102.5 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.2 | -12.7 | -177.3 | -62.8 | -175.7 | 160.6 | 0 | 0 | 113.7 | ||
| 1329 | L | 37.1 | Very low | 33.4 | Very low | 93 Ų | 93 | 100.3 Ų | 100.3 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.8 | -34.1 | 172 | -89.7 | 157.5 | 0 | 0 | 0 | 112.3 | K1296 S1327 D1331 | K1296-L1329 PolarHBondContact NZ-O 2.9Å; K1296-L1329 VanDerWaalsContact NZ-O 3.16Å; S1327-L1329 VanDerWaalsContact C-N 3.28Å; S1327-L1329 PolarHBondContact O-N 2.86Å; L1329-D1331 PolarHBondContact O-N 3.24Å |
| 1330 | N | 37.1 | Very low | 33.4 | Very low | 136 Ų | 136 | 97.9 Ų | 97.9 | 73% | 0.727 | 53% | 0.532 | S | S | * | . | trans | -87.9 | 13.2 | -167.4 | -67.8 | 15.9 | 0 | 0 | 0 | 115.1 | S1327 | S1327-N1330 PolarHBondContact O-N 3Š| ||
| 1331 | D | 31.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 94.6 Ų | 94.6 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -75.2 | 143.4 | 177.1 | -108 | -30.8 | 0 | 0 | 0 | 112.3 | L1329 I1333 | L1329-D1331 PolarHBondContact O-N 3.24Å; D1331-I1333 PolarHBondContact O-N 2.82Å |
| 1332 | P | 33.2 | Very low | 33.2 | Very low | 91 Ų | 91 | 92 Ų | 92 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 28.3 | -150.5 | 31.2 | -39.2 | 0 | 0 | 0 | 116.9 | E1334 S1335 | P1332-E1334 VanDerWaalsContact C-N 3.3Å; P1332-E1334 PolarHBondContact O-N 3.31Å; P1332-S1335 WeakPolarHBondContact O-CB 3.13Å; P1332-S1335 PolarHBondContact O-N 3.36Å; P1332-S1335 PolarHBondContact O-OG 3.27Å |
| 1333 | I | 34.5 | Very low | 33 | Very low | 36 Ų | 36 | 92.2 Ų | 92.2 | 19% | 0.185 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.7 | -178.9 | -68.7 | 164.2 | 0 | 0 | 0 | 112.2 | Q1292 D1331 S1335 T1336 | Q1292-I1333 HydrophobicContact CB-CD1 4.24Å; Q1292-I1333 HydrophobicContact CB-CG2 4.07Å; Q1292-I1333 HydrophobicContact CG-CD1 4.43Å; D1331-I1333 PolarHBondContact O-N 2.82Å; I1333-S1335 VanDerWaalsContact C-N 3.31Å; I1333-S1335 PolarHBondContact O-N 3.11Å; I1333-T1336 PolarHBondContact O-N 2.91Å |
| 1334 | E | 36.3 | Very low | 32.8 | Very low | 85 Ų | 85 | 95.4 Ų | 95.4 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -63 | -36.3 | -179.9 | -155.4 | 112 | -121.1 | 0 | 0 | 111.5 | E496 K1225 P1332 T1336 F1337 | E496-E1334 HydrophobicContact CB-CG 4.3Å; K1225-E1334 IonicContact NZ-OE1 3.93Å; K1225-E1334 PolarHBondContact NZ-OE1 3.13Å; P1332-E1334 VanDerWaalsContact C-N 3.3Å; P1332-E1334 PolarHBondContact O-N 3.31Å; E1334-T1336 PolarHBondContact O-N 3.33Å; E1334-F1337 PolarHBondContact O-N 3.31Å; E1334-F1337 VanDerWaalsContact O-N 3.15Å |
| 1335 | S | 33.8 | Very low | 33 | Very low | 66 Ų | 66 | 92.2 Ų | 92.2 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -56.3 | -25.8 | 179.2 | 71.5 | 0 | 0 | 0 | 0 | 115.5 | P1332 I1333 | P1332-S1335 WeakPolarHBondContact O-CB 3.13Å; P1332-S1335 PolarHBondContact O-N 3.36Å; P1332-S1335 PolarHBondContact O-OG 3.27Å; I1333-S1335 VanDerWaalsContact C-N 3.31Å; I1333-S1335 PolarHBondContact O-N 3.11Å |
| 1336 | T | 31.8 | Very low | 33.3 | Very low | 59 Ų | 59 | 93.2 Ų | 93.2 | 36% | 0.362 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -88.8 | -10.6 | -174.7 | -54.7 | 0 | 0 | 0 | 0 | 112.9 | Q1285 I1333 E1334 | Q1285-T1336 PolarHBondContact NE2-O 2.96Å; I1333-T1336 PolarHBondContact O-N 2.91Å; E1334-T1336 PolarHBondContact O-N 3.33Å |
| 1337 | F | 33.4 | Very low | 34.1 | Very low | 53 Ų | 53 | 88.1 Ų | 88.1 | 23% | 0.232 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -39.4 | -178.1 | -98.7 | -91.8 | 0 | 0 | 0 | 114 | T1229 I1289 E1334 N1339 A1340 | T1229-F1337 HydrophobicContact CG2-CE1 3.67Å; T1229-F1337 HydrophobicContact CG2-CZ 3.97Å; I1289-F1337 HydrophobicContact CB-CE2 4.26Å; I1289-F1337 HydrophobicContact CB-CZ 4.27Å; I1289-F1337 HydrophobicContact CD1-CD1 4.17Å; I1289-F1337 HydrophobicContact CD1-CD2 3.97Å; I1289-F1337 HydrophobicContact CD1-CE1 4.3Å; I1289-F1337 HydrophobicContact CD1-CE2 4.1Å; I1289-F1337 HydrophobicContact CD1-CG 4.04Å; I1289-F1337 HydrophobicContact CD1-CZ 4.3Å; I1289-F1337 HydrophobicContact CG1-CD2 4.08Å; I1289-F1337 HydrophobicContact CG1-CE2 3.85Å; I1289-F1337 HydrophobicContact CG1-CZ 4.24Å; I1289-F1337 HydrophobicContact CG2-CD2 4.49Å; I1289-F1337 HydrophobicContact CG2-CE1 3.75Å; I1289-F1337 HydrophobicContact CG2-CE2 3.57Å; I1289-F1337 HydrophobicContact CG2-CZ 3.16Å; E1334-F1337 PolarHBondContact O-N 3.31Å; E1334-F1337 VanDerWaalsContact O-N 3.15Å; F1337-N1339 PolarHBondContact O-N 2.71Å; F1337-A1340 PolarHBondContact O-N 2.9Å |
| 1338 | L | 35.1 | Very low | 34.9 | Very low | 93 Ų | 93 | 89.9 Ų | 89.9 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.8 | -162.2 | -68.7 | 160 | 0 | 0 | 0 | 114.9 | E496 A1340 | E496-L1338 VanDerWaalsContact O-CD1 3.27Å; E496-L1338 WeakPolarHBondContact O-CD1 3.02Å; E496-L1338 VanDerWaalsContact O-CD2 3.3Å; E496-L1338 WeakPolarHBondContact O-CD2 3.37Å; L1338-A1340 VanDerWaalsContact C-N 3.28Å; L1338-A1340 PolarHBondContact O-N 3.19Å |
| 1339 | N | 30.4 | Very low | 35.8 | Very low | 147 Ų | 147 | 87.4 Ų | 87.4 | 79% | 0.786 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 3.7 | -177.6 | -69 | -39.4 | 0 | 0 | 0 | 114.5 | F1337 | F1337-N1339 PolarHBondContact O-N 2.71Š|
| 1340 | A | 26.8 | Very low | 36.8 | Very low | 50 Ų | 50 | 83.8 Ų | 83.8 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -98.8 | 80.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F1337 L1338 C1342 | F1337-A1340 PolarHBondContact O-N 2.9Å; L1338-A1340 VanDerWaalsContact C-N 3.28Å; L1338-A1340 PolarHBondContact O-N 3.19Å; A1340-C1342 PolarHBondContact O-N 3.32Å; A1340-C1342 VanDerWaalsContact O-N 3.13Å |
| 1341 | S | 28.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 82.2 Ų | 82.2 | 83% | 0.825 | 47% | 0.468 | S | S | * | . | trans | -38.4 | 111.4 | -176 | -171 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1342 | C | 30.8 | Very low | 38.4 | Very low | 60 Ų | 60 | 77.9 Ų | 77.9 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | trans | -148.8 | 67.9 | 172.2 | -152.7 | 0 | 0 | 0 | 0 | 112.4 | Y1228 A1340 T1344 T1345 | Y1228-C1342 PolarHBondContact OH-SG 3.39Å; Y1228-C1342 VanDerWaalsContact OH-SG 3.36Å; A1340-C1342 PolarHBondContact O-N 3.32Å; A1340-C1342 VanDerWaalsContact O-N 3.13Å; C1342-T1344 PolarHBondContact O-N 2.95Å; C1342-T1345 WeakPolarHBondContact SG-CG2 3.03Å | ||
| 1343 | K | 29.9 | Very low | 38.9 | Very low | 111 Ų | 111 | 81.5 Ų | 81.5 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | trans | -68.4 | 130.7 | 166.9 | -59 | -165.3 | 178.2 | -151 | 0 | 108.1 | E498 | E498-K1343 VanDerWaalsContact CD-NZ 3.31Å; E498-K1343 WeakPolarHBondContact OE1-CE 2.94Å; E498-K1343 IonicContact OE1-NZ 2.73Å; E498-K1343 PolarHBondContact OE1-NZ 3.16Å; E498-K1343 IonicContact OE2-NZ 2.71Å; E498-K1343 PolarHBondContact OE2-NZ 3.43Å | ||
| 1344 | T | 30.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 85.8 Ų | 85.8 | 75% | 0.748 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 86.4 | 52.3 | 179.2 | 73.6 | 0 | 0 | 0 | 0 | 119.8 | C1342 C1364 | C1342-T1344 PolarHBondContact O-N 2.95Å; T1344-C1364 PolarHBondContact O-SG 2.87Å |
| 1345 | T | 35.3 | Very low | 39.9 | Very low | 37 Ų | 37 | 84.2 Ų | 84.2 | 23% | 0.227 | 48% | 0.484 | C | S | . | . | trans | -135.5 | 41.8 | 168.8 | 61 | 0 | 0 | 0 | 0 | 115.8 | C1342 F1347 I1365 | C1342-T1345 WeakPolarHBondContact SG-CG2 3.03Å; T1345-F1347 PolarHBondContact O-N 3.4Å; T1345-I1365 HydrophobicContact CG2-CG2 4.4Å | ||
| 1346 | S | 41.2 | Very low | 40.6 | Very low | 111 Ų | 111 | 86.7 Ų | 86.7 | 78% | 0.776 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 125.5 | 175.2 | 40.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1347 | F | 51 | Low | 41.7 | Very low | 58 Ų | 58 | 86.3 Ų | 86.3 | 25% | 0.254 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 130.1 | 169.5 | -70.3 | -112.3 | 0 | 0 | 0 | 109.3 | Y1228 T1345 L1359 L1360 P1362 I1365 | Y1228-F1347 HydrophobicContact CD2-CE2 4.32Å; T1345-F1347 PolarHBondContact O-N 3.4Å; F1347-L1359 HydrophobicContact CB-CD1 3.6Å; F1347-L1359 HydrophobicContact CB-CG 4.09Å; F1347-L1359 HydrophobicContact CD1-CD1 4.27Å; F1347-L1359 HydrophobicContact CD1-CD2 3.81Å; F1347-L1359 HydrophobicContact CD1-CG 3.84Å; F1347-L1359 HydrophobicContact CE1-CD2 4.36Å; F1347-L1359 HydrophobicContact CG-CD1 4.29Å; F1347-L1359 HydrophobicContact CG-CD2 4.48Å; F1347-L1359 HydrophobicContact CG-CG 4.37Å; F1347-L1360 VanDerWaalsContact CD1-O 3.32Å; F1347-L1360 WeakPolarHBondContact CD1-O 3.4Å; F1347-P1362 HydrophobicContact CB-CG 4.43Å; F1347-P1362 HydrophobicContact CD1-CG 4.11Å; F1347-P1362 HydrophobicContact CD2-CG 3.62Å; F1347-P1362 VanDerWaalsContact CE1-CD 3.46Å; F1347-P1362 HydrophobicContact CE1-CG 4.3Å; F1347-P1362 HydrophobicContact CE2-CG 3.82Å; F1347-P1362 HydrophobicContact CG-CG 3.77Å; F1347-P1362 HydrophobicContact CZ-CG 4.16Å; F1347-I1365 HydrophobicContact CE1-CD1 4.22Å; F1347-I1365 HydrophobicContact CE2-CD1 4.48Å; F1347-I1365 HydrophobicContact CZ-CD1 3.71Å |
| 1348 | E | 52.2 | Low | 43.2 | Very low | 113 Ų | 113 | 84.7 Ų | 84.7 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.5 | -179.7 | -174.8 | -169.9 | 162.3 | 0 | 0 | 110.3 | L1360 | E1348-L1360 HydrophobicContact CB-CB 4.12Å; E1348-L1360 HydrophobicContact CB-CD1 4.21Å; E1348-L1360 HydrophobicContact CB-CG 4.26Å; E1348-L1360 HydrophobicContact CG-CD1 4.39Å; E1348-L1360 WeakPolarHBondContact O-CB 3.45Å; E1348-L1360 PolarHBondContact O-N 2.99Å; E1348-L1360 WeakPolarHBondContact OE2-CD1 3.36Å |
| 1349 | L | 52.6 | Low | 44.8 | Very low | 93 Ų | 93 | 83.2 Ų | 83.2 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120 | 174.6 | -82.4 | 163.9 | 0 | 0 | 0 | 110.6 | L1359 | L1349-L1359 HydrophobicContact CD2-CB 4.08Å; L1349-L1359 HydrophobicContact CD2-CD1 3.71Å; L1349-L1359 HydrophobicContact CG-CD1 3.82Å |
| 1350 | I | 57.2 | Low | 47 | Very low | 16 Ų | 16 | 76.3 Ų | 76.3 | 8% | 0.082 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 106.1 | 167 | -54.7 | 179.5 | 0 | 0 | 0 | 108.4 | S1357 V1358 L1360 R1386 Q1406 | I1350-S1357 CarbonylContact O-C 3.5Å; I1350-S1357 WeakPolarHBondContact O-CA 3.29Å; I1350-V1358 HydrophobicContact CB-CB 4.48Å; I1350-V1358 PolarHBondContact N-O 3.34Å; I1350-V1358 PolarHBondContact O-N 3.02Å; I1350-L1360 HydrophobicContact CD1-CD1 4.13Å; I1350-L1360 HydrophobicContact CD1-CD2 3.91Å; I1350-L1360 HydrophobicContact CD1-CG 4.18Å; I1350-L1360 HydrophobicContact CG1-CD1 4.46Å; I1350-L1360 HydrophobicContact CG1-CD2 4.4Å; I1350-L1360 HydrophobicContact CG1-CG 4.29Å; I1350-R1386 HydrophobicContact CD1-CG 3.96Å; I1350-Q1406 HydrophobicContact CG2-CG 4.41Å |
| 1351 | D | 51.4 | Low | 49.4 | Very low | 103 Ų | 103 | 75.1 Ų | 75.1 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 142.5 | 171.2 | -82.8 | -21.8 | 0 | 0 | 0 | 111.7 | S1357 | D1351-S1357 VanDerWaalsContact OD1-CB 3.29Å; D1351-S1357 WeakPolarHBondContact OD1-CB 3.37Å; D1351-S1357 PolarHBondContact OD1-OG 2.76Å |
| 1352 | T | 50.4 | Low | 51 | Low | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.08 | 39% | 0.388 | C | S | . | . | trans | -100.2 | 155.3 | 175.9 | 71.1 | 0 | 0 | 0 | 0 | 110.6 | D1354 G1355 Q1356 T1404 | T1352-D1354 PolarHBondContact O-N 3.24Å; T1352-G1355 PolarHBondContact O-N 3.23Å; T1352-G1355 VanDerWaalsContact O-N 3.07Å; T1352-G1355 PolarHBondContact OG1-N 3.09Å; T1352-Q1356 VanDerWaalsContact CB-O 3.31Å; T1352-Q1356 WeakPolarHBondContact CB-O 3.44Å; T1352-Q1356 HydrophobicContact CG2-CB 4.08Å; T1352-Q1356 VanDerWaalsContact CG2-O 3.26Å; T1352-Q1356 WeakPolarHBondContact CG2-O 3.48Å; T1352-Q1356 PolarHBondContact N-O 3.41Å; T1352-Q1356 VanDerWaalsContact OG1-C 3.3Å; T1352-Q1356 WeakPolarHBondContact OG1-CA 3.29Å; T1352-Q1356 WeakPolarHBondContact OG1-CB 3.2Å; T1352-Q1356 PolarHBondContact OG1-N 2.9Å; T1352-Q1356 PolarHBondContact OG1-O 3.46Å; T1352-T1404 WeakPolarHBondContact CB-O 3.43Å | ||
| 1353 | E | 43.4 | Very low | 53 | Low | 168 Ų | 168 | 70.5 Ų | 70.5 | 79% | 0.785 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -26.1 | 175.2 | -64.5 | -177.7 | 173.8 | 0 | 0 | 112.5 | P1407 | E1353-P1407 HydrophobicContact CG-CG 4.35Š|
| 1354 | D | 45.2 | Very low | 54.6 | Low | 126 Ų | 126 | 67.9 Ų | 67.9 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0 | 177.1 | -67.4 | -46.3 | 0 | 0 | 0 | 114.5 | T1352 Q1356 | T1352-D1354 PolarHBondContact O-N 3.24Å; D1354-Q1356 VanDerWaalsContact C-N 3.34Å; D1354-Q1356 PolarHBondContact O-N 3.26Å |
| 1355 | G | 47.1 | Very low | 56.2 | Low | 51 Ų | 51 | 63.9 Ų | 63.9 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 74.6 | 18.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1352 | T1352-G1355 PolarHBondContact O-N 3.23Å; T1352-G1355 VanDerWaalsContact O-N 3.07Å; T1352-G1355 PolarHBondContact OG1-N 3.09Å |
| 1356 | Q | 49.3 | Very low | 58.1 | Low | 119 Ų | 119 | 62.3 Ų | 62.3 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | trans | -84.2 | 163.6 | 153.2 | -58.8 | -177 | -6.7 | 0 | 0 | 109.6 | T1352 D1354 | T1352-Q1356 VanDerWaalsContact CB-O 3.31Å; T1352-Q1356 WeakPolarHBondContact CB-O 3.44Å; T1352-Q1356 HydrophobicContact CG2-CB 4.08Å; T1352-Q1356 VanDerWaalsContact CG2-O 3.26Å; T1352-Q1356 WeakPolarHBondContact CG2-O 3.48Å; T1352-Q1356 PolarHBondContact N-O 3.41Å; T1352-Q1356 VanDerWaalsContact OG1-C 3.3Å; T1352-Q1356 WeakPolarHBondContact OG1-CA 3.29Å; T1352-Q1356 WeakPolarHBondContact OG1-CB 3.2Å; T1352-Q1356 PolarHBondContact OG1-N 2.9Å; T1352-Q1356 PolarHBondContact OG1-O 3.46Å; D1354-Q1356 VanDerWaalsContact C-N 3.34Å; D1354-Q1356 PolarHBondContact O-N 3.26Å | ||
| 1357 | S | 54.8 | Low | 59.9 | Low | 50 Ų | 50 | 63 Ų | 63 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 140.1 | 177.9 | -43.6 | 0 | 0 | 0 | 0 | 109.9 | I1350 D1351 | I1350-S1357 CarbonylContact O-C 3.5Å; I1350-S1357 WeakPolarHBondContact O-CA 3.29Å; D1351-S1357 VanDerWaalsContact OD1-CB 3.29Å; D1351-S1357 WeakPolarHBondContact OD1-CB 3.37Å; D1351-S1357 PolarHBondContact OD1-OG 2.76Å |
| 1358 | V | 64.1 | Low | 61.7 | Low | 19 Ų | 19 | 63.9 Ų | 63.9 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.7 | 179.2 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | I1350 L1360 | I1350-V1358 HydrophobicContact CB-CB 4.48Å; I1350-V1358 PolarHBondContact N-O 3.34Å; I1350-V1358 PolarHBondContact O-N 3.02Å; V1358-L1360 HydrophobicContact CG1-CD2 4.41Å; V1358-L1360 PolarHBondContact O-N 3.11Å |
| 1359 | L | 69.5 | Low | 63.5 | Low | 63 Ų | 63 | 58.5 Ų | 58.5 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 108.2 | 178.5 | -172.5 | 75.8 | 0 | 0 | 0 | 110.9 | A1224 F1347 L1349 G1389 | A1224-L1359 HydrophobicContact CB-CD2 3.97Å; F1347-L1359 HydrophobicContact CB-CD1 3.6Å; F1347-L1359 HydrophobicContact CB-CG 4.09Å; F1347-L1359 HydrophobicContact CD1-CD1 4.27Å; F1347-L1359 HydrophobicContact CD1-CD2 3.81Å; F1347-L1359 HydrophobicContact CD1-CG 3.84Å; F1347-L1359 HydrophobicContact CE1-CD2 4.36Å; F1347-L1359 HydrophobicContact CG-CD1 4.29Å; F1347-L1359 HydrophobicContact CG-CD2 4.48Å; F1347-L1359 HydrophobicContact CG-CG 4.37Å; L1349-L1359 HydrophobicContact CD2-CB 4.08Å; L1349-L1359 HydrophobicContact CD2-CD1 3.71Å; L1349-L1359 HydrophobicContact CG-CD1 3.82Å; L1359-G1389 VanDerWaalsContact O-CA 3.32Å; L1359-G1389 WeakPolarHBondContact O-CA 3.48Å |
| 1360 | L | 76.4 | Confident | 65.2 | Low | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137.1 | 174.8 | -57.1 | -164.1 | 0 | 0 | 0 | 111.6 | F1347 E1348 I1350 V1358 H1384 | F1347-L1360 VanDerWaalsContact CD1-O 3.32Å; F1347-L1360 WeakPolarHBondContact CD1-O 3.4Å; E1348-L1360 HydrophobicContact CB-CB 4.12Å; E1348-L1360 HydrophobicContact CB-CD1 4.21Å; E1348-L1360 HydrophobicContact CB-CG 4.26Å; E1348-L1360 HydrophobicContact CG-CD1 4.39Å; E1348-L1360 WeakPolarHBondContact O-CB 3.45Å; E1348-L1360 PolarHBondContact O-N 2.99Å; E1348-L1360 WeakPolarHBondContact OE2-CD1 3.36Å; I1350-L1360 HydrophobicContact CD1-CD1 4.13Å; I1350-L1360 HydrophobicContact CD1-CD2 3.91Å; I1350-L1360 HydrophobicContact CD1-CG 4.18Å; I1350-L1360 HydrophobicContact CG1-CD1 4.46Å; I1350-L1360 HydrophobicContact CG1-CD2 4.4Å; I1350-L1360 HydrophobicContact CG1-CG 4.29Å; V1358-L1360 HydrophobicContact CG1-CD2 4.41Å; V1358-L1360 PolarHBondContact O-N 3.11Å; L1360-H1384 HydrophobicContact CD1-CB 4.47Å; L1360-H1384 HydrophobicContact CD2-CB 4.35Å |
| 1361 | Q | 75.9 | Confident | 66.5 | Low | 25 Ų | 25 | 59.5 Ų | 59.5 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 132.1 | 173.5 | -174.2 | -177.2 | 4.7 | 0 | 0 | 110.3 | I1365 H1384 G1389 I1391 | Q1361-I1365 HydrophobicContact CG-CD1 3.96Å; Q1361-I1365 HydrophobicContact CG-CG1 3.82Å; Q1361-H1384 PolarHBondContact O-CD2 3.14Å; Q1361-H1384 VanDerWaalsContact O-CD2 3.31Å; Q1361-H1384 PolarHBondContact O-NE2 3.21Å; Q1361-G1389 PolarHBondContact N-O 3Å; Q1361-I1391 HydrophobicContact CB-CD1 4.05Å; Q1361-I1391 HydrophobicContact CB-CG1 4.26Å; Q1361-I1391 HydrophobicContact CG-CD1 4.09Å; Q1361-I1391 VanDerWaalsContact O-CD1 3.23Å; Q1361-I1391 WeakPolarHBondContact O-CD1 3.36Å |
| 1362 | P | 63.6 | Low | 68.3 | Low | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.071 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 139 | 172.2 | -23.9 | 31.7 | 0 | 0 | 0 | 112.2 | F1347 C1364 I1365 | F1347-P1362 HydrophobicContact CB-CG 4.43Å; F1347-P1362 HydrophobicContact CD1-CG 4.11Å; F1347-P1362 HydrophobicContact CD2-CG 3.62Å; F1347-P1362 VanDerWaalsContact CE1-CD 3.46Å; F1347-P1362 HydrophobicContact CE1-CG 4.3Å; F1347-P1362 HydrophobicContact CE2-CG 3.82Å; F1347-P1362 HydrophobicContact CG-CG 3.77Å; F1347-P1362 HydrophobicContact CZ-CG 4.16Å; P1362-C1364 VanDerWaalsContact C-N 3.27Å; P1362-C1364 WeakPolarHBondContact CB-SG 3.48Å; P1362-C1364 PolarHBondContact O-N 3.31Å; P1362-I1365 HydrophobicContact CB-CG1 4.25Å; P1362-I1365 HydrophobicContact CG-CD1 4.46Å; P1362-I1365 HydrophobicContact CG-CG1 4.45Å; P1362-I1365 WeakPolarHBondContact O-CG1 2.99Å; P1362-I1365 PolarHBondContact O-N 3.44Å |
| 1363 | D | 71.8 | Confident | 70.1 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -60.7 | -36.8 | -177.9 | -104 | 13.3 | 0 | 0 | 0 | 112.6 | I1365 A1366 K1382 H1384 I1391 | D1363-I1365 VanDerWaalsContact C-N 3.31Å; D1363-I1365 PolarHBondContact O-N 2.81Å; D1363-A1366 PolarHBondContact O-N 2.99Å; D1363-A1366 VanDerWaalsContact O-N 3.15Å; D1363-K1382 HydrophobicContact CB-CD 4.04Å; D1363-K1382 PolarHBondContact O-NZ 3.03Å; D1363-H1384 IonicContact OD1-CE1 3.55Å; D1363-H1384 PolarHBondContact OD1-CE1 3.17Å; D1363-H1384 VanDerWaalsContact OD1-CE1 3.27Å; D1363-H1384 IonicContact OD1-NE2 3.52Å; D1363-I1391 WeakPolarHBondContact OD1-CD1 3.16Å |
| 1364 | C | 63.8 | Low | 72.1 | Confident | 55 Ų | 55 | 60 Ų | 60 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -56.5 | -36.5 | 177.2 | 40 | 0 | 0 | 0 | 0 | 113.7 | T1344 P1362 A1366 H1367 | T1344-C1364 PolarHBondContact O-SG 2.87Å; P1362-C1364 VanDerWaalsContact C-N 3.27Å; P1362-C1364 WeakPolarHBondContact CB-SG 3.48Å; P1362-C1364 PolarHBondContact O-N 3.31Å; C1364-A1366 VanDerWaalsContact C-N 3.34Å; C1364-H1367 PolarHBondContact O-CE1 3.45Å |
| 1365 | I | 63.7 | Low | 74 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -89.8 | 6.2 | 179.4 | 69.5 | 166.5 | 0 | 0 | 0 | 114 | Y1228 L1231 T1345 F1347 Q1361 P1362 D1363 | Y1228-I1365 HydrophobicContact CE2-CG2 4.3Å; L1231-I1365 HydrophobicContact CD1-CD1 4.26Å; T1345-I1365 HydrophobicContact CG2-CG2 4.4Å; F1347-I1365 HydrophobicContact CE1-CD1 4.22Å; F1347-I1365 HydrophobicContact CE2-CD1 4.48Å; F1347-I1365 HydrophobicContact CZ-CD1 3.71Å; Q1361-I1365 HydrophobicContact CG-CD1 3.96Å; Q1361-I1365 HydrophobicContact CG-CG1 3.82Å; P1362-I1365 HydrophobicContact CB-CG1 4.25Å; P1362-I1365 HydrophobicContact CG-CD1 4.46Å; P1362-I1365 HydrophobicContact CG-CG1 4.45Å; P1362-I1365 WeakPolarHBondContact O-CG1 2.99Å; P1362-I1365 PolarHBondContact O-N 3.44Å; D1363-I1365 VanDerWaalsContact C-N 3.31Å; D1363-I1365 PolarHBondContact O-N 2.81Å |
| 1366 | A | 74.3 | Confident | 76.1 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | trans | -112.6 | 86.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1363 C1364 F1376 K1382 I1391 | D1363-A1366 PolarHBondContact O-N 2.99Å; D1363-A1366 VanDerWaalsContact O-N 3.15Å; C1364-A1366 VanDerWaalsContact C-N 3.34Å; A1366-F1376 HydrophobicContact CB-CE2 4.35Å; A1366-F1376 VanDerWaalsContact O-CD2 3.29Å; A1366-F1376 WeakPolarHBondContact O-CD2 3.36Å; A1366-K1382 WeakPolarHBondContact O-CE 3.36Å; A1366-K1382 PolarHBondContact O-NZ 3.4Å; A1366-I1391 HydrophobicContact CB-CB 3.81Å; A1366-I1391 HydrophobicContact CB-CD1 3.44Å; A1366-I1391 VanDerWaalsContact CB-CD1 3.44Å; A1366-I1391 HydrophobicContact CB-CG1 4.24Å; A1366-I1391 HydrophobicContact CB-CG2 4.03Å | ||
| 1367 | H | 80.7 | Confident | 77.8 | Confident | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -80.7 | -24.6 | 175.4 | -54.9 | -71.8 | 0 | 0 | 0 | 113.2 | C1364 E1375 F1376 | C1364-H1367 PolarHBondContact O-CE1 3.45Å; H1367-E1375 WeakPolarHBondContact O-CA 3.49Å; H1367-F1376 PolarHBondContact O-N 2.86Å |
| 1368 | Q | 88.2 | Confident | 79.1 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -132 | 151.4 | -178.1 | 55.3 | 171.2 | -26.9 | 0 | 0 | 111.5 | T1370 R1373 I1374 F1376 | Q1368-T1370 PolarHBondContact O-N 3.08Å; Q1368-R1373 VanDerWaalsContact OE1-CD 3.25Å; Q1368-R1373 PolarHBondContact OE1-O 3.46Å; Q1368-I1374 WeakPolarHBondContact CA-O 3.35Å; Q1368-F1376 VanDerWaalsContact O-CE2 3.27Å; Q1368-F1376 WeakPolarHBondContact O-CE2 3.44Å |
| 1369 | C | 90.9 | Very high | 80 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -65.8 | 126 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L1371 C1372 R1373 I1374 F1376 F1392 C1393 | C1369-L1371 PolarHBondContact O-N 3.35Å; C1369-C1372 VanDerWaalsContact CB-SG 3.59Å; C1369-C1372 PolarHBondContact O-N 3.06Å; C1369-C1372 VanDerWaalsContact SG-SG 3.62Å; C1369-R1373 VanDerWaalsContact O-CA 3.3Å; C1369-R1373 WeakPolarHBondContact O-CA 3.44Å; C1369-R1373 PolarHBondContact O-N 2.87Å; C1369-I1374 PolarHBondContact N-O 2.85Å; C1369-F1376 VanDerWaalsContact CA-CZ 3.46Å; C1369-F1376 HydrophobicContact CB-CE1 4.15Å; C1369-F1376 HydrophobicContact CB-CE2 4.4Å; C1369-F1376 HydrophobicContact CB-CZ 3.77Å; C1369-F1392 VanDerWaalsContact SG-CA 3.58Å; C1369-C1393 HydrophobicContact CB-CB 4.23Å; C1369-C1393 PolarHBondContact SG-N 3.13Å | ||
| 1370 | T | 86.8 | Confident | 80.8 | Confident | 41 Ų | 41 | 68.4 Ų | 68.4 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.4 | -176.4 | -60.8 | 0 | 0 | 0 | 0 | 114.2 | Q1368 R1373 Y1390 I1391 F1392 | Q1368-T1370 PolarHBondContact O-N 3.08Å; T1370-R1373 PolarHBondContact O-NE 3.24Å; T1370-Y1390 HydrophobicContact CG2-CD1 4.37Å; T1370-Y1390 HydrophobicContact CG2-CG 4.13Å; T1370-I1391 WeakPolarHBondContact CB-O 3.35Å; T1370-I1391 PolarHBondContact N-O 2.81Å; T1370-I1391 VanDerWaalsContact N-O 3.11Å; T1370-I1391 PolarHBondContact OG1-O 2.78Å; T1370-I1391 VanDerWaalsContact OG1-O 3.12Å; T1370-F1392 HydrophobicContact CG2-CE1 4.09Å; T1370-F1392 HydrophobicContact CG2-CZ 4.15Å |
| 1371 | L | 85.9 | Confident | 81.1 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -57.3 | 177.5 | -172.7 | 61.1 | 0 | 0 | 0 | 113.6 | C1369 F1392 C1396 R1415 | C1369-L1371 PolarHBondContact O-N 3.35Å; L1371-F1392 HydrophobicContact CB-CD1 3.73Å; L1371-F1392 HydrophobicContact CB-CE1 3.81Å; L1371-C1396 HydrophobicContact CB-CB 3.98Å; L1371-C1396 HydrophobicContact CD2-CB 3.88Å; L1371-C1396 HydrophobicContact CG-CB 4.46Å; L1371-R1415 HydrophobicContact CD2-CB 4.49Å |
| 1372 | C | 89.3 | Confident | 81.9 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.5 | -172.4 | 66.7 | 0 | 0 | 0 | 0 | 115 | C1369 I1374 | C1369-C1372 VanDerWaalsContact CB-SG 3.59Å; C1369-C1372 PolarHBondContact O-N 3.06Å; C1369-C1372 VanDerWaalsContact SG-SG 3.62Å; C1372-I1374 HydrophobicContact CB-CD1 4.47Å; C1372-I1374 HydrophobicContact CB-CG1 4.27Å; C1372-I1374 PolarHBondContact O-N 2.72Å |
| 1373 | R | 88.3 | Confident | 83.3 | Confident | 159 Ų | 159 | 74.9 Ų | 74.9 | 60% | 0.6 | 40% | 0.395 | S | S | * | . | trans | 57.8 | 12 | 179 | -56.1 | -60.7 | -179.3 | 138.1 | 3.3 | 115.8 | Q1368 C1369 T1370 | Q1368-R1373 VanDerWaalsContact OE1-CD 3.25Å; Q1368-R1373 PolarHBondContact OE1-O 3.46Å; C1369-R1373 VanDerWaalsContact O-CA 3.3Å; C1369-R1373 WeakPolarHBondContact O-CA 3.44Å; C1369-R1373 PolarHBondContact O-N 2.87Å; T1370-R1373 PolarHBondContact O-NE 3.24Å | ||
| 1374 | I | 83.4 | Confident | 84.3 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 135.1 | 170.1 | -44.9 | 176.7 | 0 | 0 | 0 | 108.7 | Q1368 C1369 C1372 R1380 | Q1368-I1374 WeakPolarHBondContact CA-O 3.35Å; C1369-I1374 PolarHBondContact N-O 2.85Å; C1372-I1374 HydrophobicContact CB-CD1 4.47Å; C1372-I1374 HydrophobicContact CB-CG1 4.27Å; C1372-I1374 PolarHBondContact O-N 2.72Å; I1374-R1380 VanDerWaalsContact CG2-NH1 3.33Å |
| 1375 | E | 86.7 | Confident | 85.6 | Confident | 143 Ų | 143 | 70.7 Ų | 70.7 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | B | Isolated β-bridge | trans | -57.7 | 147.4 | 176.6 | -64.5 | -176.8 | 151 | 0 | 0 | 113 | H1367 R1380 | H1367-E1375 WeakPolarHBondContact O-CA 3.49Å; E1375-R1380 WeakPolarHBondContact O-CD 3.33Å; E1375-R1380 PolarHBondContact O-NH1 3.03Å |
| 1376 | F | 90.1 | Very high | 86.8 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 152.2 | 170.1 | -66.3 | -69.9 | 0 | 0 | 0 | 111 | A1366 H1367 Q1368 C1369 R1380 K1382 I1391 C1393 | A1366-F1376 HydrophobicContact CB-CE2 4.35Å; A1366-F1376 VanDerWaalsContact O-CD2 3.29Å; A1366-F1376 WeakPolarHBondContact O-CD2 3.36Å; H1367-F1376 PolarHBondContact O-N 2.86Å; Q1368-F1376 VanDerWaalsContact O-CE2 3.27Å; Q1368-F1376 WeakPolarHBondContact O-CE2 3.44Å; C1369-F1376 VanDerWaalsContact CA-CZ 3.46Å; C1369-F1376 HydrophobicContact CB-CE1 4.15Å; C1369-F1376 HydrophobicContact CB-CE2 4.4Å; C1369-F1376 HydrophobicContact CB-CZ 3.77Å; F1376-R1380 HydrophobicContact CD1-CG 4.28Å; F1376-R1380 WeakPolarHBondContact CD1-O 3.47Å; F1376-K1382 HydrophobicContact CB-CG 4.24Å; F1376-K1382 HydrophobicContact CD1-CG 3.81Å; F1376-K1382 HydrophobicContact CD2-CD 4.31Å; F1376-K1382 HydrophobicContact CD2-CG 3.81Å; F1376-K1382 HydrophobicContact CE1-CG 4.03Å; F1376-K1382 HydrophobicContact CE2-CG 4.03Å; F1376-K1382 HydrophobicContact CG-CD 4.48Å; F1376-K1382 HydrophobicContact CG-CG 3.7Å; F1376-K1382 HydrophobicContact CZ-CG 4.15Å; F1376-I1391 HydrophobicContact CE1-CG2 4.46Å; F1376-I1391 HydrophobicContact CE2-CG2 3.8Å; F1376-I1391 HydrophobicContact CZ-CG2 3.61Å; F1376-C1393 HydrophobicContact CE1-CB 3.97Å |
| 1377 | S | 86.2 | Confident | 87.4 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -153.3 | 175.7 | 178.1 | 71 | 0 | 0 | 0 | 0 | 109.9 | L1379 R1380 | S1377-L1379 PolarHBondContact O-N 2.97Å; S1377-L1379 VanDerWaalsContact O-N 3.08Å; S1377-L1379 PolarHBondContact OG-N 2.88Å; S1377-R1380 PolarHBondContact N-O 3.03Å; S1377-R1380 CarbonylContact O-C 3.41Å; S1377-R1380 PolarHBondContact O-N 3.12Å |
| 1378 | A | 80.4 | Confident | 87.6 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 90% | 0.901 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1379 | L | 83.3 | Confident | 87.4 | Confident | 169 Ų | 169 | 65.9 Ų | 65.9 | 89% | 0.885 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.6 | 176.7 | -58.5 | 178.7 | 0 | 0 | 0 | 113.7 | S1377 | S1377-L1379 PolarHBondContact O-N 2.97Å; S1377-L1379 VanDerWaalsContact O-N 3.08Å; S1377-L1379 PolarHBondContact OG-N 2.88Å |
| 1380 | R | 86.7 | Confident | 87.2 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -136.6 | 85.7 | 178.4 | -171.5 | -179.3 | -63.8 | 113 | 3.7 | 109.3 | I1374 E1375 F1376 S1377 C1393 | I1374-R1380 VanDerWaalsContact CG2-NH1 3.33Å; E1375-R1380 WeakPolarHBondContact O-CD 3.33Å; E1375-R1380 PolarHBondContact O-NH1 3.03Å; F1376-R1380 HydrophobicContact CD1-CG 4.28Å; F1376-R1380 WeakPolarHBondContact CD1-O 3.47Å; S1377-R1380 PolarHBondContact N-O 3.03Å; S1377-R1380 CarbonylContact O-C 3.41Å; S1377-R1380 PolarHBondContact O-N 3.12Å; R1380-C1393 HydrophobicContact CG-CB 3.86Å |
| 1381 | P | 84.2 | Confident | 87.4 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | trans | -70.1 | 163.3 | -178 | 28.1 | -35.4 | 0 | 0 | 0 | 113.5 | ||||
| 1382 | K | 92.5 | Very high | 87.8 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 27% | 0.274 | 33% | 0.331 | S | S | . | . | trans | -89.6 | 140.4 | 179.4 | -68.1 | 177.2 | -172.6 | -177.4 | 0 | 111.3 | D1363 A1366 F1376 I1391 | D1363-K1382 HydrophobicContact CB-CD 4.04Å; D1363-K1382 PolarHBondContact O-NZ 3.03Å; A1366-K1382 WeakPolarHBondContact O-CE 3.36Å; A1366-K1382 PolarHBondContact O-NZ 3.4Å; F1376-K1382 HydrophobicContact CB-CG 4.24Å; F1376-K1382 HydrophobicContact CD1-CG 3.81Å; F1376-K1382 HydrophobicContact CD2-CD 4.31Å; F1376-K1382 HydrophobicContact CD2-CG 3.81Å; F1376-K1382 HydrophobicContact CE1-CG 4.03Å; F1376-K1382 HydrophobicContact CE2-CG 4.03Å; F1376-K1382 HydrophobicContact CG-CD 4.48Å; F1376-K1382 HydrophobicContact CG-CG 3.7Å; F1376-K1382 HydrophobicContact CZ-CG 4.15Å; K1382-I1391 HydrophobicContact CB-CG2 3.6Å; K1382-I1391 HydrophobicContact CD-CG2 4.36Å; K1382-I1391 HydrophobicContact CG-CG2 3.87Å | ||
| 1383 | H | 92.8 | Very high | 88 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 123.2 | 174.5 | -50.6 | -39.9 | 0 | 0 | 0 | 112.1 | F1392 R1412 | H1383-F1392 PolarHBondContact N-O 2.93Å; H1383-F1392 PolarHBondContact O-N 3.28Å; H1383-R1412 VanDerWaalsContact CD2-CZ 3.5Å |
| 1384 | H | 92.1 | Very high | 88.2 | Confident | 37 Ų | 37 | 57 Ų | 57 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 145.2 | 173 | -52.4 | 72.4 | 0 | 0 | 0 | 112.7 | L1360 Q1361 D1363 G1389 Y1390 I1391 | L1360-H1384 HydrophobicContact CD1-CB 4.47Å; L1360-H1384 HydrophobicContact CD2-CB 4.35Å; Q1361-H1384 PolarHBondContact O-CD2 3.14Å; Q1361-H1384 VanDerWaalsContact O-CD2 3.31Å; Q1361-H1384 PolarHBondContact O-NE2 3.21Å; D1363-H1384 IonicContact OD1-CE1 3.55Å; D1363-H1384 PolarHBondContact OD1-CE1 3.17Å; D1363-H1384 VanDerWaalsContact OD1-CE1 3.27Å; D1363-H1384 IonicContact OD1-NE2 3.52Å; H1384-G1389 PolarHBondContact CD2-O 3.41Å; H1384-Y1390 WeakPolarHBondContact CA-O 3.42Å; H1384-I1391 WeakPolarHBondContact NE2-CG1 3.3Å |
| 1385 | C | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -82.8 | 117.2 | 162.6 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | N1387 C1388 G1389 Y1390 F1392 V1413 C1414 | C1385-N1387 PolarHBondContact O-N 3.21Å; C1385-C1388 VanDerWaalsContact CB-SG 3.55Å; C1385-C1388 PolarHBondContact O-N 3.1Å; C1385-C1388 PolarHBondContact SG-SG 3.44Å; C1385-G1389 PolarHBondContact O-N 2.94Å; C1385-Y1390 PolarHBondContact N-O 2.85Å; C1385-F1392 HydrophobicContact CB-CD2 4.02Å; C1385-F1392 HydrophobicContact CB-CE2 3.68Å; C1385-V1413 VanDerWaalsContact SG-CA 3.57Å; C1385-C1414 HydrophobicContact CB-CB 4.17Å; C1385-C1414 PolarHBondContact SG-N 3.34Å | ||
| 1386 | R | 87.7 | Confident | 88.9 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -3.8 | 179.2 | -108 | 62.4 | -175.6 | 158.1 | 11.5 | 115.2 | I1350 S1405 V1411 R1412 | I1350-R1386 HydrophobicContact CD1-CG 3.96Å; R1386-S1405 PolarHBondContact O-OG 3.49Å; R1386-V1411 HydrophobicContact CB-CB 4.04Å; R1386-V1411 HydrophobicContact CB-CG2 3.72Å; R1386-V1411 HydrophobicContact CG-CB 4.32Å; R1386-V1411 HydrophobicContact CG-CG2 4.41Å; R1386-R1412 PolarHBondContact N-O 2.94Å |
| 1387 | N | 86.8 | Confident | 89.1 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.214 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -28 | 174.9 | -168.1 | 85.1 | 0 | 0 | 0 | 114.4 | C1385 T1403 V1413 C1417 L1421 | C1385-N1387 PolarHBondContact O-N 3.21Å; N1387-T1403 HydrophobicContact CB-CG2 4.01Å; N1387-V1413 HydrophobicContact CB-CG1 3.94Å; N1387-C1417 HydrophobicContact CB-CB 4.04Å; N1387-L1421 HydrophobicContact CB-CD1 4.28Å |
| 1388 | C | 85.6 | Confident | 89.3 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | 8 | -175.4 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | C1385 Y1390 | C1385-C1388 VanDerWaalsContact CB-SG 3.55Å; C1385-C1388 PolarHBondContact O-N 3.1Å; C1385-C1388 PolarHBondContact SG-SG 3.44Å; C1388-Y1390 HydrophobicContact CB-CD2 4.34Å; C1388-Y1390 WeakPolarHBondContact O-CD2 3.28Å; C1388-Y1390 PolarHBondContact O-N 2.98Å |
| 1389 | G | 83.3 | Confident | 89.9 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | 75.7 | -33.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | L1359 Q1361 H1384 C1385 | L1359-G1389 VanDerWaalsContact O-CA 3.32Å; L1359-G1389 WeakPolarHBondContact O-CA 3.48Å; Q1361-G1389 PolarHBondContact N-O 3Å; H1384-G1389 PolarHBondContact CD2-O 3.41Å; C1385-G1389 PolarHBondContact O-N 2.94Å | ||
| 1390 | Y | 86.7 | Confident | 90.3 | Very high | 89 Ų | 89 | 51 Ų | 51 | 35% | 0.349 | 24% | 0.243 | S | C | . | . | trans | -63.8 | 158.9 | -177.9 | -59.4 | -73.5 | 0 | 0 | 0 | 113.7 | K1227 T1370 H1384 C1385 C1388 F1392 | K1227-Y1390 PolarHBondContact NZ-OH 2.86Å; T1370-Y1390 HydrophobicContact CG2-CD1 4.37Å; T1370-Y1390 HydrophobicContact CG2-CG 4.13Å; H1384-Y1390 WeakPolarHBondContact CA-O 3.42Å; C1385-Y1390 PolarHBondContact N-O 2.85Å; C1388-Y1390 HydrophobicContact CB-CD2 4.34Å; C1388-Y1390 WeakPolarHBondContact O-CD2 3.28Å; C1388-Y1390 PolarHBondContact O-N 2.98Å; Y1390-F1392 WeakPolarHBondContact O-CD2 3.39Å; Y1390-F1392 WeakPolarHBondContact O-CE2 3.42Å | ||
| 1391 | I | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.5 | -175.6 | -66.2 | 158.9 | 0 | 0 | 0 | 112.5 | Q1361 D1363 A1366 T1370 F1376 K1382 H1384 | Q1361-I1391 HydrophobicContact CB-CD1 4.05Å; Q1361-I1391 HydrophobicContact CB-CG1 4.26Å; Q1361-I1391 HydrophobicContact CG-CD1 4.09Å; Q1361-I1391 VanDerWaalsContact O-CD1 3.23Å; Q1361-I1391 WeakPolarHBondContact O-CD1 3.36Å; D1363-I1391 WeakPolarHBondContact OD1-CD1 3.16Å; A1366-I1391 HydrophobicContact CB-CB 3.81Å; A1366-I1391 HydrophobicContact CB-CD1 3.44Å; A1366-I1391 VanDerWaalsContact CB-CD1 3.44Å; A1366-I1391 HydrophobicContact CB-CG1 4.24Å; A1366-I1391 HydrophobicContact CB-CG2 4.03Å; T1370-I1391 WeakPolarHBondContact CB-O 3.35Å; T1370-I1391 PolarHBondContact N-O 2.81Å; T1370-I1391 VanDerWaalsContact N-O 3.11Å; T1370-I1391 PolarHBondContact OG1-O 2.78Å; T1370-I1391 VanDerWaalsContact OG1-O 3.12Å; F1376-I1391 HydrophobicContact CE1-CG2 4.46Å; F1376-I1391 HydrophobicContact CE2-CG2 3.8Å; F1376-I1391 HydrophobicContact CZ-CG2 3.61Å; K1382-I1391 HydrophobicContact CB-CG2 3.6Å; K1382-I1391 HydrophobicContact CD-CG2 4.36Å; K1382-I1391 HydrophobicContact CG-CG2 3.87Å; H1384-I1391 WeakPolarHBondContact NE2-CG1 3.3Å |
| 1392 | F | 93.7 | Very high | 90.5 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.4 | -175.6 | -58.2 | -90.6 | 0 | 0 | 0 | 111.3 | C1369 T1370 L1371 H1383 C1385 Y1390 C1396 C1414 | C1369-F1392 VanDerWaalsContact SG-CA 3.58Å; T1370-F1392 HydrophobicContact CG2-CE1 4.09Å; T1370-F1392 HydrophobicContact CG2-CZ 4.15Å; L1371-F1392 HydrophobicContact CB-CD1 3.73Å; L1371-F1392 HydrophobicContact CB-CE1 3.81Å; H1383-F1392 PolarHBondContact N-O 2.93Å; H1383-F1392 PolarHBondContact O-N 3.28Å; C1385-F1392 HydrophobicContact CB-CD2 4.02Å; C1385-F1392 HydrophobicContact CB-CE2 3.68Å; Y1390-F1392 WeakPolarHBondContact O-CD2 3.39Å; Y1390-F1392 WeakPolarHBondContact O-CE2 3.42Å; F1392-C1396 HydrophobicContact CB-CB 4.08Å; F1392-C1396 HydrophobicContact CD1-CB 4.18Å; F1392-C1414 HydrophobicContact CD1-CB 3.93Å; F1392-C1414 HydrophobicContact CD2-CB 3.69Å; F1392-C1414 HydrophobicContact CE1-CB 3.73Å; F1392-C1414 HydrophobicContact CE2-CB 3.48Å; F1392-C1414 VanDerWaalsContact CE2-CB 3.48Å; F1392-C1414 HydrophobicContact CG-CB 3.92Å; F1392-C1414 HydrophobicContact CZ-CB 3.51Å |
| 1393 | C | 94.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | trans | -78 | 166.9 | 166.9 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | C1369 F1376 R1380 N1395 C1396 S1397 | C1369-C1393 HydrophobicContact CB-CB 4.23Å; C1369-C1393 PolarHBondContact SG-N 3.13Å; F1376-C1393 HydrophobicContact CE1-CB 3.97Å; R1380-C1393 HydrophobicContact CG-CB 3.86Å; C1393-N1395 VanDerWaalsContact C-N 3.32Å; C1393-N1395 PolarHBondContact O-N 2.78Å; C1393-C1396 PolarHBondContact O-N 3.06Å; C1393-C1396 VanDerWaalsContact SG-SG 3.67Å; C1393-S1397 PolarHBondContact O-N 3.46Å; C1393-S1397 PolarHBondContact O-OG 3.37Å | ||
| 1394 | A | 92.1 | Very high | 88.6 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -47.7 | -50.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | C1396 S1397 D1398 | A1394-C1396 PolarHBondContact O-N 3.34Å; A1394-C1396 VanDerWaalsContact O-N 3.14Å; A1394-S1397 CarbonylContact O-C 3.2Å; A1394-S1397 PolarHBondContact O-N 2.89Å; A1394-S1397 VanDerWaalsContact O-N 3.12Å; A1394-D1398 WeakPolarHBondContact O-CA 3.41Å; A1394-D1398 WeakPolarHBondContact O-CB 3.29Å; A1394-D1398 PolarHBondContact O-N 3.13Å |
| 1395 | N | 91.8 | Very high | 87.1 | Confident | 120 Ų | 120 | 45.5 Ų | 45.5 | 64% | 0.642 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -67.4 | -14.5 | -177.3 | -64.7 | 3.5 | 0 | 0 | 0 | 114.5 | C1393 R1415 | C1393-N1395 VanDerWaalsContact C-N 3.32Å; C1393-N1395 PolarHBondContact O-N 2.78Å; N1395-R1415 PolarHBondContact O-NE 3.46Å; N1395-R1415 VanDerWaalsContact O-NE 3.15Å; N1395-R1415 PolarHBondContact O-NH2 3.03Å |
| 1396 | C | 94.3 | Very high | 85.8 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -104.3 | -6.3 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | L1371 F1392 C1393 A1394 C1414 R1415 | L1371-C1396 HydrophobicContact CB-CB 3.98Å; L1371-C1396 HydrophobicContact CD2-CB 3.88Å; L1371-C1396 HydrophobicContact CG-CB 4.46Å; F1392-C1396 HydrophobicContact CB-CB 4.08Å; F1392-C1396 HydrophobicContact CD1-CB 4.18Å; C1393-C1396 PolarHBondContact O-N 3.06Å; C1393-C1396 VanDerWaalsContact SG-SG 3.67Å; A1394-C1396 PolarHBondContact O-N 3.34Å; A1394-C1396 VanDerWaalsContact O-N 3.14Å; C1396-C1414 WeakPolarHBondContact O-CA 3.22Å; C1396-R1415 PolarHBondContact O-N 2.96Å |
| 1397 | S | 93.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -135.8 | 36.4 | -179.3 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | C1393 A1394 R1399 R1412 V1413 | C1393-S1397 PolarHBondContact O-N 3.46Å; C1393-S1397 PolarHBondContact O-OG 3.37Å; A1394-S1397 CarbonylContact O-C 3.2Å; A1394-S1397 PolarHBondContact O-N 2.89Å; A1394-S1397 VanDerWaalsContact O-N 3.12Å; S1397-R1399 PolarHBondContact O-N 2.74Å; S1397-R1412 VanDerWaalsContact O-CG 3.27Å; S1397-R1412 WeakPolarHBondContact O-CG 3.14Å; S1397-R1412 PolarHBondContact O-NH1 3.03Å; S1397-V1413 WeakPolarHBondContact CA-O 3.44Å |
| 1398 | D | 90.8 | Very high | 84 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | trans | -76.9 | 2.1 | -172.4 | 59 | -33.6 | 0 | 0 | 0 | 113.9 | A1394 R1415 | A1394-D1398 WeakPolarHBondContact O-CA 3.41Å; A1394-D1398 WeakPolarHBondContact O-CB 3.29Å; A1394-D1398 PolarHBondContact O-N 3.13Å; D1398-R1415 VanDerWaalsContact CG-NE 3.34Å; D1398-R1415 WeakPolarHBondContact OD1-CG 3.39Å; D1398-R1415 IonicContact OD1-CZ 2.61Å; D1398-R1415 IonicContact OD1-NE 2.73Å; D1398-R1415 PolarHBondContact OD1-NE 3.16Å; D1398-R1415 IonicContact OD1-NH2 2.71Å; D1398-R1415 IonicContact OD2-CZ 2.66Å; D1398-R1415 IonicContact OD2-NE 3.83Å; D1398-R1415 PolarHBondContact OD2-NE 3.47Å; D1398-R1415 IonicContact OD2-NH2 3.67Å; D1398-R1415 PolarHBondContact OD2-NH2 3.37Å | ||
| 1399 | R | 91.2 | Very high | 83.7 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 153.3 | -173.6 | -59.9 | -170.6 | 174.1 | -132.9 | -5 | 112.5 | S1397 V1413 F1418 | S1397-R1399 PolarHBondContact O-N 2.74Å; R1399-V1413 PolarHBondContact O-N 3.43Å; R1399-F1418 HydrophobicContact CB-CB 4.24Å; R1399-F1418 HydrophobicContact CB-CD2 3.48Å; R1399-F1418 VanDerWaalsContact CB-CD2 3.48Å; R1399-F1418 HydrophobicContact CB-CE2 3.96Å; R1399-F1418 HydrophobicContact CB-CG 3.84Å; R1399-F1418 VanDerWaalsContact CD-CD1 3.48Å; R1399-F1418 HydrophobicContact CG-CD2 4.3Å; R1399-F1418 HydrophobicContact CG-CG 4.33Å; R1399-F1418 VanDerWaalsContact NH1-CE1 3.29Å |
| 1400 | R | 93.5 | Very high | 83.9 | Confident | 166 Ų | 166 | 54.9 Ų | 54.9 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.2 | 174.1 | -69.1 | 175.9 | 168.2 | -112 | 9.3 | 110.5 | P1410 V1411 F1418 | R1400-P1410 HydrophobicContact CB-CB 4.11Å; R1400-P1410 WeakPolarHBondContact CD-O 3.43Å; R1400-P1410 PolarHBondContact NH1-O 2.71Å; R1400-V1411 WeakPolarHBondContact CA-O 3.34Å; R1400-F1418 WeakPolarHBondContact O-CE2 3.41Å |
| 1401 | I | 91 | Very high | 84.1 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157.3 | 173.6 | -162.4 | 160.6 | 0 | 0 | 0 | 108.9 | T1403 V1411 V1413 F1418 L1421 | I1401-T1403 HydrophobicContact CG2-CG2 4.41Å; I1401-V1411 PolarHBondContact N-O 3.28Å; I1401-V1411 VanDerWaalsContact N-O 3.08Å; I1401-V1411 WeakPolarHBondContact O-CG2 3.43Å; I1401-V1411 PolarHBondContact O-N 2.8Å; I1401-V1413 HydrophobicContact CG2-CG1 4.04Å; I1401-V1413 HydrophobicContact CG2-CG2 3.7Å; I1401-F1418 HydrophobicContact CB-CD2 4.03Å; I1401-F1418 HydrophobicContact CB-CE2 4.14Å; I1401-F1418 HydrophobicContact CD1-CD2 4.34Å; I1401-F1418 HydrophobicContact CD1-CE2 4.22Å; I1401-F1418 HydrophobicContact CG2-CD2 4.41Å; I1401-L1421 HydrophobicContact CD1-CB 3.89Å; I1401-L1421 HydrophobicContact CG2-CB 4.2Å; I1401-L1421 HydrophobicContact CG2-CD1 3.61Å |
| 1402 | V | 83 | Confident | 84.2 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 140.6 | 170.7 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1403 | T | 79 | Confident | 84.2 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 155.3 | -179.7 | 53.6 | 0 | 0 | 0 | 0 | 109 | N1387 I1401 S1405 Q1406 V1411 V1413 L1421 | N1387-T1403 HydrophobicContact CB-CG2 4.01Å; I1401-T1403 HydrophobicContact CG2-CG2 4.41Å; T1403-S1405 PolarHBondContact O-N 3.45Å; T1403-S1405 PolarHBondContact OG1-OG 2.76Å; T1403-Q1406 CarbonylContact O-C 3.55Å; T1403-Q1406 VanDerWaalsContact O-C 3.29Å; T1403-Q1406 PolarHBondContact O-N 2.89Å; T1403-Q1406 VanDerWaalsContact O-N 3.16Å; T1403-Q1406 PolarHBondContact OG1-N 3.16Å; T1403-V1411 HydrophobicContact CG2-CG2 3.67Å; T1403-V1411 VanDerWaalsContact OG1-CG2 3.27Å; T1403-V1411 WeakPolarHBondContact OG1-CG2 3.39Å; T1403-V1413 HydrophobicContact CG2-CG1 3.9Å; T1403-L1421 HydrophobicContact CG2-CD1 3.87Å |
| 1404 | T | 66.9 | Low | 84.2 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.1 | 171.5 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | T1352 | T1352-T1404 WeakPolarHBondContact CB-O 3.43Š|
| 1405 | S | 61.1 | Low | 84.1 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -26.5 | 176 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | R1386 T1403 | R1386-S1405 PolarHBondContact O-OG 3.49Å; T1403-S1405 PolarHBondContact O-N 3.45Å; T1403-S1405 PolarHBondContact OG1-OG 2.76Å |
| 1406 | Q | 64.2 | Low | 83.9 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 81.8 | 178.8 | -65.9 | -165.5 | -35 | 0 | 0 | 109.9 | I1350 T1403 S1408 V1411 | I1350-Q1406 HydrophobicContact CG2-CG 4.41Å; T1403-Q1406 CarbonylContact O-C 3.55Å; T1403-Q1406 VanDerWaalsContact O-C 3.29Å; T1403-Q1406 PolarHBondContact O-N 2.89Å; T1403-Q1406 VanDerWaalsContact O-N 3.16Å; T1403-Q1406 PolarHBondContact OG1-N 3.16Å; Q1406-S1408 PolarHBondContact O-N 2.86Å; Q1406-V1411 HydrophobicContact CB-CG1 3.85Å |
| 1407 | P | 66.9 | Low | 83.8 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -15.4 | -177.9 | 27.1 | -33.8 | 0 | 0 | 0 | 113.7 | E1353 G1409 | E1353-P1407 HydrophobicContact CG-CG 4.35Å; P1407-G1409 PolarHBondContact O-N 3.48Å |
| 1408 | S | 70.2 | Confident | 83.7 | Confident | 121 Ų | 121 | 59 Ų | 59 | 85% | 0.846 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -7.9 | -178.4 | 54.3 | 0 | 0 | 0 | 0 | 115.4 | Q1406 | Q1406-S1408 PolarHBondContact O-N 2.86Å |
| 1409 | G | 79.2 | Confident | 83.4 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1407 V1411 | P1407-G1409 PolarHBondContact O-N 3.48Å; G1409-V1411 PolarHBondContact O-N 2.97Å |
| 1410 | P | 87.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 47% | 0.474 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 112.8 | -179.7 | 30 | -34.1 | 0 | 0 | 0 | 112.2 | R1400 | R1400-P1410 HydrophobicContact CB-CB 4.11Å; R1400-P1410 WeakPolarHBondContact CD-O 3.43Å; R1400-P1410 PolarHBondContact NH1-O 2.71Å |
| 1411 | V | 90.1 | Very high | 82.6 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 155.8 | -173.4 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | R1386 R1400 I1401 T1403 Q1406 G1409 V1413 | R1386-V1411 HydrophobicContact CB-CB 4.04Å; R1386-V1411 HydrophobicContact CB-CG2 3.72Å; R1386-V1411 HydrophobicContact CG-CB 4.32Å; R1386-V1411 HydrophobicContact CG-CG2 4.41Å; R1400-V1411 WeakPolarHBondContact CA-O 3.34Å; I1401-V1411 PolarHBondContact N-O 3.28Å; I1401-V1411 VanDerWaalsContact N-O 3.08Å; I1401-V1411 WeakPolarHBondContact O-CG2 3.43Å; I1401-V1411 PolarHBondContact O-N 2.8Å; T1403-V1411 HydrophobicContact CG2-CG2 3.67Å; T1403-V1411 VanDerWaalsContact OG1-CG2 3.27Å; T1403-V1411 WeakPolarHBondContact OG1-CG2 3.39Å; Q1406-V1411 HydrophobicContact CB-CG1 3.85Å; G1409-V1411 PolarHBondContact O-N 2.97Å; V1411-V1413 PolarHBondContact O-N 2.86Å |
| 1412 | R | 93.6 | Very high | 82 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 127.1 | -176.2 | -171 | -166.4 | -75.6 | -91.3 | 14.3 | 110.8 | H1383 R1386 S1397 | H1383-R1412 VanDerWaalsContact CD2-CZ 3.5Å; R1386-R1412 PolarHBondContact N-O 2.94Å; S1397-R1412 VanDerWaalsContact O-CG 3.27Å; S1397-R1412 WeakPolarHBondContact O-CG 3.14Å; S1397-R1412 PolarHBondContact O-NH1 3.03Å |
| 1413 | V | 93.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155.8 | 175.3 | -68.6 | 0 | 0 | 0 | 0 | 111 | C1385 N1387 S1397 R1399 I1401 T1403 V1411 C1417 F1418 | C1385-V1413 VanDerWaalsContact SG-CA 3.57Å; N1387-V1413 HydrophobicContact CB-CG1 3.94Å; S1397-V1413 WeakPolarHBondContact CA-O 3.44Å; R1399-V1413 PolarHBondContact O-N 3.43Å; I1401-V1413 HydrophobicContact CG2-CG1 4.04Å; I1401-V1413 HydrophobicContact CG2-CG2 3.7Å; T1403-V1413 HydrophobicContact CG2-CG1 3.9Å; V1411-V1413 PolarHBondContact O-N 2.86Å; V1413-C1417 HydrophobicContact CB-CB 4.29Å; V1413-F1418 HydrophobicContact CG2-CB 3.84Å; V1413-F1418 HydrophobicContact CG2-CD2 4.13Å |
| 1414 | C | 94.6 | Very high | 79.9 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | trans | -69.3 | 157.3 | 169 | 73.6 | 0 | 0 | 0 | 0 | 110.7 | C1385 F1392 C1396 H1416 C1417 F1418 | C1385-C1414 HydrophobicContact CB-CB 4.17Å; C1385-C1414 PolarHBondContact SG-N 3.34Å; F1392-C1414 HydrophobicContact CD1-CB 3.93Å; F1392-C1414 HydrophobicContact CD2-CB 3.69Å; F1392-C1414 HydrophobicContact CE1-CB 3.73Å; F1392-C1414 HydrophobicContact CE2-CB 3.48Å; F1392-C1414 VanDerWaalsContact CE2-CB 3.48Å; F1392-C1414 HydrophobicContact CG-CB 3.92Å; F1392-C1414 HydrophobicContact CZ-CB 3.51Å; C1396-C1414 WeakPolarHBondContact O-CA 3.22Å; C1414-H1416 PolarHBondContact O-N 3.07Å; C1414-H1416 VanDerWaalsContact O-N 3.13Å; C1414-C1417 PolarHBondContact O-N 3.43Å; C1414-C1417 VanDerWaalsContact SG-SG 3.69Å; C1414-F1418 PolarHBondContact O-N 3.12Å | ||
| 1415 | R | 90.6 | Very high | 78.8 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 39% | 0.389 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -53.1 | -36.4 | -179.5 | -72.8 | -179.4 | 171.8 | 178.4 | -2.5 | 113.3 | L1371 N1395 C1396 D1398 F1418 F1419 | L1371-R1415 HydrophobicContact CD2-CB 4.49Å; N1395-R1415 PolarHBondContact O-NE 3.46Å; N1395-R1415 VanDerWaalsContact O-NE 3.15Å; N1395-R1415 PolarHBondContact O-NH2 3.03Å; C1396-R1415 PolarHBondContact O-N 2.96Å; D1398-R1415 VanDerWaalsContact CG-NE 3.34Å; D1398-R1415 WeakPolarHBondContact OD1-CG 3.39Å; D1398-R1415 IonicContact OD1-CZ 2.61Å; D1398-R1415 IonicContact OD1-NE 2.73Å; D1398-R1415 PolarHBondContact OD1-NE 3.16Å; D1398-R1415 IonicContact OD1-NH2 2.71Å; D1398-R1415 IonicContact OD2-CZ 2.66Å; D1398-R1415 IonicContact OD2-NE 3.83Å; D1398-R1415 PolarHBondContact OD2-NE 3.47Å; D1398-R1415 IonicContact OD2-NH2 3.67Å; D1398-R1415 PolarHBondContact OD2-NH2 3.37Å; R1415-F1418 PolarHBondContact O-N 2.79Å; R1415-F1419 WeakPolarHBondContact O-CD2 3.35Å; R1415-F1419 PolarHBondContact O-N 3.36Å |
| 1416 | H | 87 | Confident | 77.5 | Confident | 117 Ų | 117 | 77.8 Ų | 77.8 | 54% | 0.542 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -52.2 | 178.6 | -172.3 | 88.2 | 0 | 0 | 0 | 112.1 | C1414 F1418 F1419 Q1420 | C1414-H1416 PolarHBondContact O-N 3.07Å; C1414-H1416 VanDerWaalsContact O-N 3.13Å; H1416-F1418 VanDerWaalsContact C-N 3.29Å; H1416-F1418 PolarHBondContact O-N 2.82Å; H1416-F1419 PolarHBondContact O-N 3.14Å; H1416-F1419 VanDerWaalsContact O-N 3.1Å; H1416-Q1420 VanDerWaalsContact CD2-CD 3.46Å; H1416-Q1420 PolarHBondContact CD2-OE1 2.84Å; H1416-Q1420 VanDerWaalsContact CD2-OE1 3.29Å; H1416-Q1420 PolarHBondContact NE2-NE2 3.01Å; H1416-Q1420 PolarHBondContact O-N 2.89Å |
| 1417 | C | 92.2 | Very high | 76.1 | Confident | 5 Ų | 5 | 84.4 Ų | 84.4 | 3% | 0.034 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.2 | -32.4 | 177.5 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | N1387 V1413 C1414 Q1420 L1421 | N1387-C1417 HydrophobicContact CB-CB 4.04Å; V1413-C1417 HydrophobicContact CB-CB 4.29Å; C1414-C1417 PolarHBondContact O-N 3.43Å; C1414-C1417 VanDerWaalsContact SG-SG 3.69Å; C1417-Q1420 PolarHBondContact O-N 3.32Å; C1417-L1421 WeakPolarHBondContact O-CB 3.2Å; C1417-L1421 VanDerWaalsContact O-CG 3.28Å; C1417-L1421 WeakPolarHBondContact O-CG 3.4Å; C1417-L1421 PolarHBondContact O-N 3.15Å |
| 1418 | F | 90.7 | Very high | 74.3 | Confident | 36 Ų | 36 | 86.5 Ų | 86.5 | 16% | 0.158 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -58 | -49.4 | 169.6 | -173.1 | -87.7 | 0 | 0 | 0 | 111.4 | R1399 R1400 I1401 V1413 C1414 R1415 H1416 Q1420 L1421 S1422 | R1399-F1418 HydrophobicContact CB-CB 4.24Å; R1399-F1418 HydrophobicContact CB-CD2 3.48Å; R1399-F1418 VanDerWaalsContact CB-CD2 3.48Å; R1399-F1418 HydrophobicContact CB-CE2 3.96Å; R1399-F1418 HydrophobicContact CB-CG 3.84Å; R1399-F1418 VanDerWaalsContact CD-CD1 3.48Å; R1399-F1418 HydrophobicContact CG-CD2 4.3Å; R1399-F1418 HydrophobicContact CG-CG 4.33Å; R1399-F1418 VanDerWaalsContact NH1-CE1 3.29Å; R1400-F1418 WeakPolarHBondContact O-CE2 3.41Å; I1401-F1418 HydrophobicContact CB-CD2 4.03Å; I1401-F1418 HydrophobicContact CB-CE2 4.14Å; I1401-F1418 HydrophobicContact CD1-CD2 4.34Å; I1401-F1418 HydrophobicContact CD1-CE2 4.22Å; I1401-F1418 HydrophobicContact CG2-CD2 4.41Å; V1413-F1418 HydrophobicContact CG2-CB 3.84Å; V1413-F1418 HydrophobicContact CG2-CD2 4.13Å; C1414-F1418 PolarHBondContact O-N 3.12Å; R1415-F1418 PolarHBondContact O-N 2.79Å; H1416-F1418 VanDerWaalsContact C-N 3.29Å; H1416-F1418 PolarHBondContact O-N 2.82Å; F1418-Q1420 VanDerWaalsContact C-N 3.3Å; F1418-Q1420 PolarHBondContact O-N 2.88Å; F1418-L1421 PolarHBondContact O-N 3.33Å; F1418-S1422 VanDerWaalsContact O-CB 3.23Å; F1418-S1422 WeakPolarHBondContact O-CB 3.31Å; F1418-S1422 PolarHBondContact O-N 3.43Å; F1418-S1422 PolarHBondContact O-OG 2.72Å; F1418-S1422 VanDerWaalsContact O-OG 3.04Å |
| 1419 | F | 85.7 | Confident | 72.3 | Confident | 122 Ų | 122 | 86.1 Ų | 86.1 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.7 | -22.2 | 179.1 | -77.1 | -57.8 | 0 | 0 | 0 | 114.7 | R1415 H1416 | R1415-F1419 WeakPolarHBondContact O-CD2 3.35Å; R1415-F1419 PolarHBondContact O-N 3.36Å; H1416-F1419 PolarHBondContact O-N 3.14Å; H1416-F1419 VanDerWaalsContact O-N 3.1Å |
| 1420 | Q | 84.1 | Confident | 70 | Confident | 104 Ų | 104 | 93.9 Ų | 93.9 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.2 | -53.2 | 170.5 | -70.8 | 174.3 | -51.9 | 0 | 0 | 110.7 | H1416 C1417 F1418 S1422 R1423 | H1416-Q1420 VanDerWaalsContact CD2-CD 3.46Å; H1416-Q1420 PolarHBondContact CD2-OE1 2.84Å; H1416-Q1420 VanDerWaalsContact CD2-OE1 3.29Å; H1416-Q1420 PolarHBondContact NE2-NE2 3.01Å; H1416-Q1420 PolarHBondContact O-N 2.89Å; C1417-Q1420 PolarHBondContact O-N 3.32Å; F1418-Q1420 VanDerWaalsContact C-N 3.3Å; F1418-Q1420 PolarHBondContact O-N 2.88Å; Q1420-S1422 VanDerWaalsContact C-N 3.31Å; Q1420-S1422 PolarHBondContact O-N 2.97Å; Q1420-R1423 PolarHBondContact O-N 3.06Å |
| 1421 | L | 83.5 | Confident | 67.1 | Low | 65 Ų | 65 | 98 Ų | 98 | 34% | 0.34 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72 | -20.4 | -175.2 | -66.1 | 170 | 0 | 0 | 0 | 113.8 | N1387 I1401 T1403 C1417 F1418 R1423 | N1387-L1421 HydrophobicContact CB-CD1 4.28Å; I1401-L1421 HydrophobicContact CD1-CB 3.89Å; I1401-L1421 HydrophobicContact CG2-CB 4.2Å; I1401-L1421 HydrophobicContact CG2-CD1 3.61Å; T1403-L1421 HydrophobicContact CG2-CD1 3.87Å; C1417-L1421 WeakPolarHBondContact O-CB 3.2Å; C1417-L1421 VanDerWaalsContact O-CG 3.28Å; C1417-L1421 WeakPolarHBondContact O-CG 3.4Å; C1417-L1421 PolarHBondContact O-N 3.15Å; F1418-L1421 PolarHBondContact O-N 3.33Å; L1421-R1423 VanDerWaalsContact C-N 3.31Å; L1421-R1423 PolarHBondContact O-N 2.92Å |
| 1422 | S | 78.1 | Confident | 64.1 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 11 | 177.8 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | F1418 Q1420 | F1418-S1422 VanDerWaalsContact O-CB 3.23Å; F1418-S1422 WeakPolarHBondContact O-CB 3.31Å; F1418-S1422 PolarHBondContact O-N 3.43Å; F1418-S1422 PolarHBondContact O-OG 2.72Å; F1418-S1422 VanDerWaalsContact O-OG 3.04Å; Q1420-S1422 VanDerWaalsContact C-N 3.31Å; Q1420-S1422 PolarHBondContact O-N 2.97Å |
| 1423 | R | 76.1 | Confident | 60.9 | Low | 193 Ų | 193 | 107.4 Ų | 107.4 | 73% | 0.728 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -95.6 | 129.6 | 174.4 | -69.9 | 178.1 | 178.8 | -157.9 | -3.5 | 110.2 | Q1420 L1421 | Q1420-R1423 PolarHBondContact O-N 3.06Å; L1421-R1423 VanDerWaalsContact C-N 3.31Å; L1421-R1423 PolarHBondContact O-N 2.92Å |
| 1424 | P | 43.2 | Very low | 57.9 | Low | 125 Ų | 125 | 115.2 Ų | 115.2 | 81% | 0.812 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 132.7 | 178.6 | 28.6 | -33.9 | 0 | 0 | 0 | 111.8 | V1426 | P1424-V1426 PolarHBondContact O-N 2.65Š|
| 1425 | S | 43.2 | Very low | 54.6 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 83% | 0.825 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 116.6 | -172.4 | -46.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1426 | V | 33.5 | Very low | 51.5 | Low | 143 Ų | 143 | 126.6 Ų | 126.6 | 87% | 0.867 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 138.4 | 166.2 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | P1424 | P1424-V1426 PolarHBondContact O-N 2.65Š|
| 1427 | K | 34 | Very low | 48.6 | Very low | 203 Ų | 203 | 132.1 Ų | 132.1 | 88% | 0.883 | 68% | 0.675 | S | S | * | * | trans | -105.7 | 123.9 | -177.9 | -65.9 | -178.3 | 177.9 | -178.4 | 0 | 112.2 | ||||
| 1428 | S | 29.5 | Very low | 45.6 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | trans | -163 | 108.9 | 158.4 | 57 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1429 | S | 28.7 | Very low | 42.7 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 21.5 | 119.9 | 143.8 | 55.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1430 | K | 30.1 | Very low | 39.8 | Very low | 184 Ų | 184 | 141 Ų | 141 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | 66.9 | 112.2 | 132.7 | -75.7 | -167.8 | 170.8 | -168.3 | 0 | 124 | ||||
| 1431 | Q | 28 | Very low | 37.1 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | 82.2 | 138.7 | 129.1 | -79.5 | 176.7 | -83.6 | 0 | 0 | 122.9 | |||||
| 1432 | Q | 26 | Very low | 34.4 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | 69.4 | 90.5 | 161.5 | -72.4 | -175.9 | -27.2 | 0 | 0 | 120.3 | ||||
| 1433 | S | 26.9 | Very low | 32 | Very low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -161.2 | 161.4 | 119.1 | 31.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1434 | I | 29.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -99.9 | 119.4 | 172.8 | -62.7 | 170.3 | 0 | 0 | 0 | 107.1 | ||||
| 1435 | E | 26.2 | Very low | 28.8 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -141.2 | 134.3 | 166.2 | -88.8 | -171.9 | 164.2 | 0 | 0 | 110.2 | ||||
| 1436 | E | 25.7 | Very low | 28 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -80.1 | 119.1 | -176.2 | -61.9 | 174 | 114.7 | 0 | 0 | 111.3 | T1438 | E1436-T1438 PolarHBondContact O-N 3.06Š| ||
| 1437 | Y | 26.9 | Very low | 27.6 | Very low | 232 Ų | 232 | 152.5 Ų | 152.5 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | trans | -77.3 | 71.4 | 174.3 | -111.5 | -92.7 | 0 | 0 | 0 | 112 | P1439 | Y1437-P1439 VanDerWaalsContact O-CD 3.28Å; Y1437-P1439 WeakPolarHBondContact O-CD 3.22Å | ||
| 1438 | T | 28.7 | Very low | 27.2 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | trans | -72.9 | 119.4 | 174.7 | 35.3 | 0 | 0 | 0 | 0 | 111.8 | E1436 C1440 | E1436-T1438 PolarHBondContact O-N 3.06Å; T1438-C1440 PolarHBondContact O-N 3.18Å | ||
| 1439 | P | 29.3 | Very low | 27 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -76 | 88.8 | 172.8 | -13.6 | 31.6 | 0 | 0 | 0 | 110.1 | Y1437 V1441 | Y1437-P1439 VanDerWaalsContact O-CD 3.28Å; Y1437-P1439 WeakPolarHBondContact O-CD 3.22Å; P1439-V1441 PolarHBondContact O-N 3.39Å | ||
| 1440 | C | 25.4 | Very low | 27 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -22.7 | 115.9 | -176.4 | -173.8 | 0 | 0 | 0 | 0 | 116.8 | T1438 | T1438-C1440 PolarHBondContact O-N 3.18Š| ||
| 1441 | V | 26.9 | Very low | 27 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -128.6 | 145.1 | 159.6 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | P1439 | P1439-V1441 PolarHBondContact O-N 3.39Š| ||
| 1442 | A | 27.3 | Very low | 27.1 | Very low | 85 Ų | 85 | 150.6 Ų | 150.6 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | 64.4 | 90.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1443 | R | 27.7 | Very low | 27.2 | Very low | 228 Ų | 228 | 144.7 Ų | 144.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | -161.2 | 97.6 | 118.5 | -109.7 | 175.5 | -173.9 | 176.3 | 3.8 | 112 | |||||
| 1444 | H | 25.5 | Very low | 27.5 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -158.6 | 66.3 | 152.2 | -102.7 | -59.1 | 0 | 0 | 0 | 110.9 | ||||
| 1445 | T | 26.8 | Very low | 27.3 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -161.8 | 126.9 | 172 | 21.3 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1446 | M | 24.9 | Very low | 27.3 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | cis | -141.3 | -178 | 0.7 | -57.3 | -178.1 | -81.4 | 0 | 0 | 107.5 | ||||
| 1447 | V | 25.3 | Very low | 27.5 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | cis | -154.7 | 171.1 | 4 | 89.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1448 | K | 25.4 | Very low | 27.6 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | -5.6 | 139.8 | 164.5 | -60.1 | 153.8 | 163.3 | -89.1 | 0 | 120.3 | D1450 | K1448-D1450 HydrophobicContact CB-CB 4.46Å; K1448-D1450 WeakPolarHBondContact CG-OD2 3.27Å; K1448-D1450 IonicContact NZ-OD2 3.53Å; K1448-D1450 PolarHBondContact NZ-OD2 3.4Å | ||
| 1449 | E | 26.5 | Very low | 27.5 | Very low | 196 Ų | 196 | 134 Ų | 134 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | -145.8 | 126 | 103 | -97.9 | 165.8 | -164.2 | 0 | 0 | 105.4 | |||||
| 1450 | D | 27.4 | Very low | 27.3 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 49% | 0.492 | 76% | 0.764 | S | S | . | * | cis | 64.9 | 113 | 29.6 | -76.6 | -18.3 | 0 | 0 | 0 | 115.1 | K1448 | K1448-D1450 HydrophobicContact CB-CB 4.46Å; K1448-D1450 WeakPolarHBondContact CG-OD2 3.27Å; K1448-D1450 IonicContact NZ-OD2 3.53Å; K1448-D1450 PolarHBondContact NZ-OD2 3.4Å | ||
| 1451 | N | 30.4 | Very low | 27.5 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 85 | 147 | 163.5 | -58.2 | -58.2 | 0 | 0 | 0 | 119.9 | ||||
| 1452 | N | 30.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -166.4 | 169.5 | -36 | -133.8 | -45 | 0 | 0 | 0 | 111.5 | ||||
| 1453 | G | 28.5 | Very low | 27.8 | Very low | 57 Ų | 57 | 138.7 Ų | 138.7 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | trans | 88.8 | 106.2 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1454 | G | 33.1 | Very low | 27.8 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 96% | 0.959 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -74.6 | 112.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 1455 | G | 25.1 | Very low | 27.7 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 177.8 | -49.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1456 | L | 26.4 | Very low | 27.7 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -163.9 | 106.3 | 170.4 | -94.1 | 129.8 | 0 | 0 | 0 | 107.1 | ||
| 1457 | V | 28.9 | Very low | 27.7 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | 89.6 | 99.1 | 72.7 | 167.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1458 | K | 30.3 | Very low | 27.7 | Very low | 189 Ų | 189 | 135 Ų | 135 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | 63.4 | 154.7 | 151.5 | -62.3 | 171 | -171.4 | 175.9 | 0 | 118.5 | ||||
| 1459 | N | 26.4 | Very low | 27.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | cis | 158.8 | 125.4 | -28.3 | -112.6 | 11.1 | 0 | 0 | 0 | 105.8 | ||||
| 1460 | F | 24.1 | Very low | 27.7 | Very low | 189 Ų | 189 | 132 Ų | 132 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | 65.8 | 154.8 | 173.2 | -52.3 | -66.5 | 0 | 0 | 0 | 115.4 | ||||
| 1461 | T | 31 | Very low | 27.8 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | cis | -135 | 150.6 | 22.4 | 49.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1462 | N | 28.7 | Very low | 27.7 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | -65.1 | 151.1 | 159.8 | -172.9 | 36.8 | 0 | 0 | 0 | 110.6 | D1464 | N1462-D1464 PolarHBondContact ND2-OD1 3.15Å; N1462-D1464 PolarHBondContact OD1-N 3.44Å; N1462-D1464 VanDerWaalsContact OD1-N 3.08Å | ||
| 1463 | P | 31.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | -143 | 134.2 | 98.5 | 25.2 | -4.4 | 0 | 0 | 0 | 116 | |||||
| 1464 | D | 27.1 | Very low | 27.5 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | 44.4 | 140.6 | 101.2 | -70.7 | 5 | 0 | 0 | 0 | 118.8 | N1462 | N1462-D1464 PolarHBondContact ND2-OD1 3.15Å; N1462-D1464 PolarHBondContact OD1-N 3.44Å; N1462-D1464 VanDerWaalsContact OD1-N 3.08Å | |||
| 1465 | F | 23.6 | Very low | 27.2 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 75% | 0.746 | 73% | 0.727 | S | S | * | * | cis | -170.8 | -160.1 | -5.9 | -155.6 | -107.7 | 0 | 0 | 0 | 107.4 | ||||
| 1466 | L | 26.8 | Very low | 27.2 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | 71.4 | 103 | 166.3 | -57.8 | 172.2 | 0 | 0 | 0 | 115.1 | ||||
| 1467 | N | 25.5 | Very low | 27.2 | Very low | 122 Ų | 122 | 138 Ų | 138 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | 83.7 | 119.1 | 76.5 | -82.6 | -4.6 | 0 | 0 | 0 | 113.8 | |||||
| 1468 | Y | 26.1 | Very low | 27.1 | Very low | 216 Ų | 216 | 135.9 Ų | 135.9 | 85% | 0.847 | 72% | 0.723 | S | S | * | * | -148.5 | 100.8 | 113 | -128.9 | -88.7 | 0 | 0 | 0 | 111.3 | |||||
| 1469 | M | 23.9 | Very low | 27 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | trans | -70.3 | 142.9 | 153.9 | -85.8 | -100.1 | -72.3 | 0 | 0 | 108.6 | ||||
| 1470 | N | 27.5 | Very low | 27.1 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | trans | 169.6 | 141.4 | 147.6 | -86.9 | -7.1 | 0 | 0 | 0 | 107.9 | ||||
| 1471 | N | 29 | Very low | 27.3 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | cis | -152.2 | 145 | 8.2 | -115.2 | -19.1 | 0 | 0 | 0 | 112.2 | ||||
| 1472 | S | 28.5 | Very low | 27.1 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | trans | 65.7 | 143.4 | 141.9 | -60 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1473 | I | 28 | Very low | 27 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | cis | -148.4 | 133.8 | -9.1 | -103.2 | 154.4 | 0 | 0 | 0 | 105.4 | ||||
| 1474 | M | 25.3 | Very low | 26.7 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | 81.9 | 141.7 | 55.6 | -115.9 | -58.5 | -170.8 | 0 | 0 | 115.7 | |||||
| 1475 | L | 26.9 | Very low | 27.4 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 71.4 | 145.1 | 166.2 | -57 | 172.6 | 0 | 0 | 0 | 118.1 | ||||
| 1476 | S | 25.7 | Very low | 27.6 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | cis | -173.5 | 148.4 | -15.2 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1477 | T | 26.9 | Very low | 27.7 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 49.6 | 140.2 | 145.5 | 56.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1478 | G | 27.1 | Very low | 28 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | cis | 165.6 | -175.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1479 | S | 28.5 | Very low | 28.1 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 35.5 | 138.3 | 139.8 | 55.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1480 | D | 28.8 | Very low | 29.2 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | cis | -170.2 | 153 | 7 | -121.1 | -35.8 | 0 | 0 | 0 | 115.3 | ||||
| 1481 | S | 28.1 | Very low | 29.6 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 58.1 | 154.4 | 142.3 | 79.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1482 | G | 26.8 | Very low | 29.7 | Very low | 78 Ų | 78 | 121 Ų | 121 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 157.2 | 97.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1483 | C | 26.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -24.9 | 148.3 | 168.9 | -62.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1484 | M | 25.1 | Very low | 30.1 | Very low | 177 Ų | 177 | 120.7 Ų | 120.7 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | cis | 86.4 | 159.2 | 48.8 | -78.7 | -143.3 | 162.2 | 0 | 0 | 115.1 | ||||
| 1485 | P | 41.9 | Very low | 30.4 | Very low | 105 Ų | 105 | 120 Ų | 120 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | -143 | -157.7 | -76.7 | 36.2 | -11.8 | 0 | 0 | 0 | 116.3 | |||||
| 1486 | V | 27.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 106.2 | 139.1 | 151.1 | -164.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1487 | S | 29 | Very low | 30.6 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 71.8 | 147.7 | 158.7 | 40.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1488 | S | 31.6 | Very low | 30.5 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | cis | -159.5 | 165.7 | -6 | 41.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1489 | F | 27.6 | Very low | 30.7 | Very low | 194 Ų | 194 | 125.3 Ų | 125.3 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | -79.2 | -174 | 179 | -86 | -86.6 | 0 | 0 | 0 | 114.4 | ||||
| 1490 | P | 47.9 | Very low | 30.7 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -127.3 | -172.2 | 7.1 | 46.3 | -30.9 | 0 | 0 | 0 | 114.5 | ||||
| 1491 | D | 35.8 | Very low | 30.7 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | cis | -145 | -164.2 | 1.2 | -146.7 | 37.8 | 0 | 0 | 0 | 109.3 | ||||
| 1492 | G | 31.2 | Very low | 30.8 | Very low | 61 Ų | 61 | 123.4 Ų | 123.4 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | cis | 177.1 | -157.1 | 9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1493 | A | 32.1 | Very low | 31 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | -22.5 | 146.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1494 | I | 31.7 | Very low | 31.2 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | cis | -156.1 | 135.3 | -3.5 | -118.8 | 167.2 | 0 | 0 | 0 | 111.8 | ||||
| 1495 | L | 31.3 | Very low | 31.5 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | 40.1 | 152.3 | 147.9 | -54.7 | 171.8 | 0 | 0 | 0 | 123.8 | ||||
| 1496 | R | 28.3 | Very low | 30.9 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | cis | -175 | 150.5 | -38.8 | -121.4 | -168.6 | -175.5 | 175.2 | 0.1 | 111 | ||||
| 1497 | M | 28.3 | Very low | 31 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | 28.3 | 131.3 | 135.4 | -65 | 168.8 | 75.2 | 0 | 0 | 120.6 | ||||
| 1498 | S | 26.2 | Very low | 31 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | 101.8 | 150 | 28 | 74.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1499 | S | 30.2 | Very low | 30.8 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 76.1 | 153.3 | 169.5 | 78.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1500 | S | 29.3 | Very low | 31 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | cis | -174.6 | 138.8 | -28 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1501 | G | 28.2 | Very low | 30.1 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | trans | 104 | 163.1 | 134 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1502 | V | 31 | Very low | 29.9 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | 90.8 | 85.2 | 149.9 | -169.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1503 | S | 30.4 | Very low | 29.9 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | 79.9 | 123 | 123.4 | 75.4 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 1504 | H | 31.1 | Very low | 29.9 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | 72.2 | 110.1 | 127.7 | -72.4 | -63.2 | 0 | 0 | 0 | 125.3 | |||||
| 1505 | H | 30.7 | Very low | 29.8 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 65% | 0.653 | 75% | 0.746 | S | S | * | * | 93.2 | 109.2 | 119.8 | -76.1 | -30.2 | 0 | 0 | 0 | 125.1 | |||||
| 1506 | F | 28.5 | Very low | 29.8 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 75% | 0.746 | 75% | 0.747 | S | S | * | * | 84 | 143.7 | 124.8 | -89.2 | -60.5 | 0 | 0 | 0 | 124 | |||||
| 1507 | N | 30.5 | Very low | 30.1 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | 68.1 | 137.9 | 168.2 | -59.2 | -11.7 | 0 | 0 | 0 | 116.9 | ||||
| 1508 | G | 28.9 | Very low | 30.2 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | cis | -171.4 | 156.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1509 | S | 27.4 | Very low | 30.5 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -73.2 | 155.3 | -173.1 | -46.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1510 | F | 31.2 | Very low | 30.5 | Very low | 190 Ų | 190 | 127.2 Ų | 127.2 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | -179.1 | 149.4 | 112.1 | -105.3 | -73.2 | 0 | 0 | 0 | 114.6 | |||||
| 1511 | N | 30.9 | Very low | 30.7 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 74.5 | 111.6 | 155.3 | -67.4 | -22.5 | 0 | 0 | 0 | 123.8 | ||||
| 1512 | S | 31.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | 60.5 | 107 | 130.3 | 65.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1513 | E | 30.6 | Very low | 30.8 | Very low | 175 Ų | 175 | 126.6 Ų | 126.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | 28.6 | 143.3 | 102 | -59 | -169.1 | 170.9 | 0 | 0 | 120.4 | |||||
| 1514 | T | 32.2 | Very low | 30.8 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | cis | -158.6 | 152.8 | -3.8 | 14.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1515 | T | 30.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | 47.9 | 126.7 | 151.5 | 57.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1516 | T | 31.1 | Very low | 30.9 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | -174 | 156.5 | 103.5 | 23 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1517 | N | 33.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 67.9 | 104.7 | 158.2 | -57.8 | -23.1 | 0 | 0 | 0 | 121.7 | ||||
| 1518 | N | 32.1 | Very low | 31.2 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | 28.8 | 149.8 | 107.7 | -59.3 | -2 | 0 | 0 | 0 | 121 | |||||
| 1519 | A | 31.9 | Very low | 31.3 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | cis | 178.5 | 153.6 | -16.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1520 | T | 30.7 | Very low | 31.4 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | 63.4 | 155.5 | 147.4 | 52.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1521 | T | 31.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 125 Ų | 125 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | cis | -169.7 | 173.5 | -4.8 | 21.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1522 | T | 31 | Very low | 31.4 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | 72.6 | 157.8 | 145.2 | 37.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1523 | A | 30.6 | Very low | 31.5 | Very low | 75 Ų | 75 | 127 Ų | 127 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | cis | -151.8 | 137.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1524 | T | 30.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | 54.7 | 149.1 | 88.5 | 59.7 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1525 | V | 32.8 | Very low | 31.5 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | 171.7 | 157.2 | 98 | 143.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1526 | N | 31.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | cis | -169.1 | 178.4 | -45.1 | -91.7 | -6.8 | 0 | 0 | 0 | 107.9 | ||||
| 1527 | H | 33.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | 128.7 | 140.2 | 154.6 | -75.8 | -75.6 | 0 | 0 | 0 | 114.8 | ||||
| 1528 | R | 30.9 | Very low | 32.3 | Very low | 233 Ų | 233 | 123.3 Ų | 123.3 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | cis | -119.5 | -178.6 | 12.4 | -73.5 | -179.1 | 164 | -177.5 | -6 | 111.8 | ||||
| 1529 | L | 31.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 123 Ų | 123 | 59% | 0.586 | 70% | 0.695 | S | S | * | * | cis | -179.2 | 155.4 | -36 | -88.4 | 170.6 | 0 | 0 | 0 | 102.8 | ||||
| 1530 | D | 31.1 | Very low | 31.9 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | cis | -143 | 142.4 | 22.4 | -104.1 | -60.2 | 0 | 0 | 0 | 109.1 | ||||
| 1531 | S | 29.4 | Very low | 32 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 57% | 0.573 | 70% | 0.702 | S | S | * | * | 49.7 | 121.7 | 95.4 | 83.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1532 | I | 32.1 | Very low | 31.7 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | -157.2 | 133.3 | 66.8 | -91 | 162.1 | 0 | 0 | 0 | 108.8 | |||||
| 1533 | I | 32.1 | Very low | 31.9 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | 74.6 | 126.4 | 63 | -71.6 | 170 | 0 | 0 | 0 | 111.4 | |||||
| 1534 | T | 32.2 | Very low | 32 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | cis | -164.8 | -179.5 | -0.6 | 22.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1535 | N | 32.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | 91.8 | 131 | 155.9 | -62.1 | -43.9 | 0 | 0 | 0 | 117.4 | ||||
| 1536 | N | 32.2 | Very low | 32 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | cis | 92.3 | 141.7 | 38.7 | -73.8 | -42.5 | 0 | 0 | 0 | 112.8 | ||||
| 1537 | P | 36.4 | Very low | 32 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | -125.1 | -107 | -64.1 | 22.5 | 0.8 | 0 | 0 | 0 | 114.8 | |||||
| 1538 | P | 42.8 | Very low | 31.9 | Very low | 103 Ų | 103 | 124 Ų | 124 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | -132.1 | -161.5 | -118.2 | 42.2 | -23.4 | 0 | 0 | 0 | 115.7 | |||||
| 1539 | L | 26.8 | Very low | 31.7 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | 83.6 | 113.2 | 151.5 | -77.7 | 166.8 | 0 | 0 | 0 | 120.1 | ||||
| 1540 | S | 28.8 | Very low | 32.1 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 85.7 | 157.5 | 130 | 85 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1541 | R | 31 | Very low | 31.9 | Very low | 217 Ų | 217 | 123.3 Ų | 123.3 | 82% | 0.819 | 74% | 0.737 | S | S | * | * | cis | -147.5 | 168.6 | 16 | -151.7 | 156.4 | -177.5 | 171.2 | -0.6 | 113.7 | ||||
| 1542 | C | 26.7 | Very low | 31.8 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | trans | -37.9 | 155.6 | 165.4 | -46 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1543 | H | 34.1 | Very low | 31.8 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | -150.1 | 142.2 | 51.5 | -87.1 | -75.1 | 0 | 0 | 0 | 112.1 | |||||
| 1544 | S | 32.7 | Very low | 31.7 | Very low | 103 Ų | 103 | 121.2 Ų | 121.2 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | 65.4 | 137.4 | 79.8 | -44.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1545 | A | 34.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 121 Ų | 121 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | cis | -162.3 | 172 | -3.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1546 | G | 30.5 | Very low | 31.8 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | cis | 151.3 | 158.7 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1547 | G | 29.4 | Very low | 31.8 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 83.3 | 153.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1548 | A | 31.7 | Very low | 31.6 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | cis | -154.1 | 163 | -10.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1549 | R | 27.5 | Very low | 31.1 | Very low | 238 Ų | 238 | 121.9 Ų | 121.9 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -116.9 | 174.8 | 171.8 | -121 | -176 | 179.9 | -169.8 | 0.6 | 106.9 | ||||
| 1550 | P | 38.7 | Very low | 31.4 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | cis | -141.9 | -158.8 | -8.4 | 36.9 | -13.4 | 0 | 0 | 0 | 114.4 | ||||
| 1551 | T | 27.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 124 Ų | 124 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 73.6 | 127.5 | 146.3 | 43.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1552 | S | 28.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | 63.6 | 145.8 | 149.4 | 43.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1553 | S | 30.4 | Very low | 31.7 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | cis | -166.1 | 158.8 | -3.6 | 47 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1554 | A | 31.3 | Very low | 31.6 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | trans | 65.1 | 113.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1555 | A | 32.2 | Very low | 31.5 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | 84.7 | 140.7 | 91.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1556 | S | 33.3 | Very low | 31.3 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 83% | 0.834 | S | S | * | * | cis | -145 | 154 | 14.6 | 53.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1557 | D | 33.6 | Very low | 31.4 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | trans | 49.4 | 134.5 | 150 | -45.8 | -25.5 | 0 | 0 | 0 | 121.7 | ||||
| 1558 | G | 31.4 | Very low | 31.5 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 84% | 0.836 | S | S | * | * | cis | 162.3 | 153.8 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1559 | I | 32.6 | Very low | 31.5 | Very low | 176 Ų | 176 | 131 Ų | 131 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | trans | 65.2 | 130.2 | 156.2 | -56.2 | 175.1 | 0 | 0 | 0 | 116.9 | ||||
| 1560 | A | 33.1 | Very low | 31.8 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | cis | -165 | 171.7 | -18.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1561 | Q | 27.6 | Very low | 31.2 | Very low | 200 Ų | 200 | 124.9 Ų | 124.9 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | trans | -131.7 | 118.5 | 159 | -162.2 | 177.4 | 28.4 | 0 | 0 | 108.8 | ||||
| 1562 | A | 33 | Very low | 31.5 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 100% | 1.438 | 86% | 0.855 | S | S | * | * | trans | -160.7 | 0 | 170 | 0 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 1,562 of 1,562 residues in 2831.4 ms
(Link to these results)