| 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 | 40.7 | Very low | 43.6 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 100% | 1.202 | 82% | 0.819 | S | S | * | * | 0 | 105.9 | 0 | -81.7 | 173.2 | 172.1 | 0 | 0 | 107.7 | L3 | M1-L3 PolarHBondContact O-N 3.41Š| |||
| 2 | A | 34.3 | Very low | 45.4 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -70.6 | 121 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | N4 | A2-N4 PolarHBondContact O-N 2.82Š| ||
| 3 | L | 38.6 | Very low | 48.3 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | trans | -61.4 | 111.4 | 161.9 | -83 | 143.4 | 0 | 0 | 0 | 107.5 | M1 R5 | M1-L3 PolarHBondContact O-N 3.41Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.19Å | ||
| 4 | N | 40.1 | Very low | 51.7 | Low | 159 Ų | 159 | 123.9 Ų | 123.9 | 85% | 0.85 | 68% | 0.68 | S | S | * | * | trans | -60.7 | 90.8 | 169.4 | -87.3 | -16.6 | 0 | 0 | 0 | 109.1 | A2 I6 | A2-N4 PolarHBondContact O-N 2.82Å; N4-I6 PolarHBondContact O-N 3.23Å | ||
| 5 | R | 43.8 | Very low | 54.8 | Low | 236 Ų | 236 | 121.3 Ų | 121.3 | 89% | 0.891 | 67% | 0.669 | S | S | * | * | trans | -69.4 | 107.6 | 159.1 | -73.9 | -174.5 | 177 | -168.3 | -0.4 | 106.6 | L3 | L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.19Å | ||
| 6 | I | 43.8 | Very low | 57.5 | Low | 148 Ų | 148 | 120.4 Ų | 120.4 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | trans | -52.7 | 130.7 | 161.2 | -56.2 | 174.4 | 0 | 0 | 0 | 105.9 | N4 | N4-I6 PolarHBondContact O-N 3.23Š| ||
| 7 | P | 39.2 | Very low | 59.9 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 69% | 0.688 | 62% | 0.62 | S | S | * | * | trans | -53.3 | 154.4 | 174.5 | -19.5 | 30.3 | 0 | 0 | 0 | 109.1 | A9 | P7-A9 PolarHBondContact O-N 2.64Š| ||
| 8 | A | 44.2 | Very low | 62.1 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 88% | 0.884 | 60% | 0.603 | S | S | * | * | trans | -64.4 | 69.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V10 | A8-V10 PolarHBondContact O-N 3.28Š| ||
| 9 | A | 47.7 | Very low | 64 | Low | 73 Ų | 73 | 105.5 Ų | 105.5 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | trans | -56.4 | 126.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | P7 R11 | P7-A9 PolarHBondContact O-N 2.64Å; A9-R11 PolarHBondContact O-N 2.8Å | ||
| 10 | V | 51.3 | Low | 65.8 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 77% | 0.77 | 56% | 0.556 | S | S | * | * | trans | -39.1 | 103.1 | -177.2 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | A8 M12 | A8-V10 PolarHBondContact O-N 3.28Å; V10-M12 WeakPolarHBondContact O-CG 3.2Å; V10-M12 PolarHBondContact O-N 3.4Å | ||
| 11 | R | 56.5 | Low | 67.3 | Low | 189 Ų | 189 | 100.4 Ų | 100.4 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | trans | -56.4 | 113.9 | 175.5 | -77.3 | -177.4 | 177.5 | -176.2 | -1.6 | 106.1 | A9 S13 | A9-R11 PolarHBondContact O-N 2.8Å; R11-S13 PolarHBondContact O-N 2.82Å; R11-S13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | M | 64.3 | Low | 70.1 | Confident | 41 Ų | 41 | 90.3 Ų | 90.3 | 20% | 0.202 | 49% | 0.489 | C | S | . | . | trans | -74.4 | 114.5 | -168.7 | -58.6 | -146.6 | -64.8 | 0 | 0 | 109.6 | V10 A38 K39 E136 | V10-M12 WeakPolarHBondContact O-CG 3.2Å; V10-M12 PolarHBondContact O-N 3.4Å; M12-A38 HydrophobicContact CE-CB 4.12Å; M12-A38 HydrophobicContact SD-CB 3.52Å; M12-A38 VanDerWaalsContact SD-CB 3.52Å; M12-K39 HydrophobicContact CE-CB 4.47Å; M12-K39 HydrophobicContact CE-CD 3.58Å; M12-K39 VanDerWaalsContact CE-CE 3.48Å; M12-K39 HydrophobicContact CE-CG 3.43Å; M12-K39 VanDerWaalsContact CE-CG 3.43Å; M12-E136 WeakPolarHBondContact CB-OE1 3.36Å; M12-E136 WeakPolarHBondContact CE-OE2 3.42Å; M12-E136 WeakPolarHBondContact CG-OE1 2.99Å | ||
| 13 | S | 83.1 | Confident | 73.2 | Confident | 42 Ų | 42 | 89.8 Ų | 89.8 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 154.2 | 178.5 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | R11 T15 | R11-S13 PolarHBondContact O-N 2.82Å; R11-S13 VanDerWaalsContact O-N 3.13Å; S13-T15 PolarHBondContact O-N 3.41Å |
| 14 | I | 96.9 | Very high | 76 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | trans | -56.4 | 127.2 | 169.3 | -58.2 | 169.2 | 0 | 0 | 0 | 108.9 | I17 L35 L88 I89 V95 I101 V129 | I14-I17 HydrophobicContact CD1-CD1 4.39Å; I14-I17 HydrophobicContact CG2-CD1 3.82Å; I14-I17 HydrophobicContact CG2-CG1 3.64Å; I14-L35 HydrophobicContact CD1-CD1 4.08Å; I14-L35 HydrophobicContact CG1-CD1 4.16Å; I14-L35 HydrophobicContact CG1-CD2 4.37Å; I14-L35 HydrophobicContact CG2-CD1 4.25Å; I14-L35 HydrophobicContact CG2-CD2 4.39Å; I14-L35 HydrophobicContact CG2-CG 4.06Å; I14-L88 HydrophobicContact CD1-CB 4.35Å; I14-I89 HydrophobicContact CG2-CG1 4Å; I14-V95 HydrophobicContact CD1-CG1 4.33Å; I14-V95 HydrophobicContact CG1-CG1 3.62Å; I14-I101 HydrophobicContact CD1-CD1 4.5Å; I14-V129 HydrophobicContact CD1-CG2 4.46Å | ||
| 15 | T | 96.9 | Very high | 78.8 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | trans | -101 | -29.1 | 179.9 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | S13 W36 | S13-T15 PolarHBondContact O-N 3.41Å; T15-W36 PolarHBondContact N-O 2.77Å; T15-W36 WeakPolarHBondContact OG1-CB 3.44Å; T15-W36 PolarHBondContact OG1-O 2.93Å | ||
| 16 | K | 98.4 | Very high | 81.2 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 145.5 | 177.3 | -174.7 | 178.3 | 178.3 | -178.3 | 0 | 109.4 | W36 | K16-W36 HydrophobicContact CB-CB 4.11Å; K16-W36 HydrophobicContact CB-CD2 4.23Å; K16-W36 HydrophobicContact CB-CE3 3.81Å; K16-W36 HydrophobicContact CB-CG 4.39Å; K16-W36 HydrophobicContact CD-CD2 4.31Å; K16-W36 HydrophobicContact CD-CE3 3.97Å; K16-W36 HydrophobicContact CD-CZ3 4.1Å; K16-W36 HydrophobicContact CG-CD2 4.48Å; K16-W36 HydrophobicContact CG-CE3 3.81Å; K16-W36 HydrophobicContact CG-CZ3 4.09Å; K16-W36 PolarHBondContact O-N 3.34Å |
| 17 | I | 98.8 | Very high | 83.8 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.046 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.9 | 163.3 | -67.3 | 166.6 | 0 | 0 | 0 | 106.5 | I14 V33 D34 L35 V80 A85 L88 V125 | I14-I17 HydrophobicContact CD1-CD1 4.39Å; I14-I17 HydrophobicContact CG2-CD1 3.82Å; I14-I17 HydrophobicContact CG2-CG1 3.64Å; I17-V33 HydrophobicContact CG2-CG1 3.8Å; I17-D34 CarbonylContact C-O 3.54Å; I17-D34 WeakPolarHBondContact CA-O 3.28Å; I17-L35 HydrophobicContact CD1-CD1 4.17Å; I17-L35 HydrophobicContact CG1-CB 4.38Å; I17-L35 HydrophobicContact CG1-CD1 4Å; I17-L35 HydrophobicContact CG1-CG 3.97Å; I17-V80 HydrophobicContact CG2-CG1 3.79Å; I17-A85 HydrophobicContact CB-CB 3.65Å; I17-A85 HydrophobicContact CG2-CB 3.97Å; I17-L88 HydrophobicContact CD1-CB 4.14Å; I17-L88 HydrophobicContact CD1-CD1 3.79Å; I17-V125 HydrophobicContact CD1-CG1 4.15Å; I17-V125 HydrophobicContact CG2-CG2 4.38Å |
| 18 | H | 98.9 | Very high | 86.6 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 125.8 | 173.8 | -179.7 | 53.8 | 0 | 0 | 0 | 110.1 | D34 W36 N81 | H18-D34 PolarHBondContact N-O 3.28Å; H18-D34 PolarHBondContact O-N 3.06Å; H18-W36 HydrophobicContact CB-CH2 3.99Å; H18-W36 HydrophobicContact CB-CZ3 3.69Å; H18-N81 WeakPolarHBondContact CA-OD1 3.35Å; H18-N81 PolarHBondContact ND1-OD1 2.92Å |
| 19 | A | 98.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 150.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V31 E32 V33 V77 V80 N81 | A19-V31 HydrophobicContact CB-CG1 4.39Å; A19-E32 CarbonylContact C-O 3.51Å; A19-E32 WeakPolarHBondContact CA-O 3.49Å; A19-V33 HydrophobicContact CB-CG2 4.12Å; A19-V77 HydrophobicContact CB-CB 4.43Å; A19-V77 HydrophobicContact CB-CG1 4.09Å; A19-V77 HydrophobicContact CB-CG2 4.46Å; A19-V77 WeakPolarHBondContact O-CG1 3.42Å; A19-V80 HydrophobicContact CB-CB 3.57Å; A19-V80 HydrophobicContact CB-CG1 3.59Å; A19-V80 HydrophobicContact CB-CG2 4.1Å; A19-N81 PolarHBondContact N-OD1 2.99Å; A19-N81 PolarHBondContact O-ND2 3.22Å |
| 20 | R | 98.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 25% | 0.249 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 165.6 | 170.1 | 67.9 | -175.5 | 66.4 | 79.1 | 1.3 | 110.6 | I22 E32 D34 | R20-I22 HydrophobicContact CG-CG2 4.1Å; R20-E32 VanDerWaalsContact CD-OE1 3.32Å; R20-E32 WeakPolarHBondContact CD-OE1 3.46Å; R20-E32 HydrophobicContact CG-CB 4.03Å; R20-E32 IonicContact CZ-OE1 3.56Å; R20-E32 PolarHBondContact N-O 2.99Å; R20-E32 IonicContact NE-OE1 3.21Å; R20-E32 IonicContact NH1-OE1 2.97Å; R20-E32 PolarHBondContact NH1-OE1 3.45Å; R20-E32 PolarHBondContact O-N 3.22Å; R20-D34 IonicContact CZ-OD1 3.85Å; R20-D34 IonicContact CZ-OD2 2.62Å; R20-D34 VanDerWaalsContact CZ-OD2 3.3Å; R20-D34 IonicContact NH1-OD1 3.04Å; R20-D34 PolarHBondContact NH1-OD1 2.7Å; R20-D34 IonicContact NH1-OD2 2.95Å; R20-D34 PolarHBondContact NH1-OD2 2.87Å; R20-D34 IonicContact NH2-OD2 3.79Å; R20-D34 PolarHBondContact NH2-OD2 2.86Å |
| 21 | E | 98.7 | Very high | 93.9 | Very high | 38 Ų | 38 | 44.1 Ų | 44.1 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.7 | 170.9 | -173.7 | 175.4 | -102.9 | 0 | 0 | 109.7 | P29 T30 R67 T73 V77 | E21-P29 VanDerWaalsContact CD-CB 3.49Å; E21-P29 HydrophobicContact CG-CB 3.7Å; E21-P29 WeakPolarHBondContact OE1-CB 3.34Å; E21-T30 WeakPolarHBondContact CA-O 3.45Å; E21-R67 IonicContact OE1-NH1 3.41Å; E21-R67 PolarHBondContact OE1-NH1 3.07Å; E21-R67 IonicContact OE2-CZ 3.06Å; E21-R67 IonicContact OE2-NH1 2.81Å; E21-R67 PolarHBondContact OE2-NH1 3.09Å; E21-R67 IonicContact OE2-NH2 2.73Å; E21-R67 PolarHBondContact OE2-NH2 3.05Å; E21-T73 WeakPolarHBondContact CG-OG1 3.4Å; E21-T73 PolarHBondContact OE1-N 2.88Å; E21-T73 PolarHBondContact OE1-OG1 3.41Å; E21-V77 HydrophobicContact CB-CG2 4.36Å |
| 22 | I | 98.8 | Very high | 95.9 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -178.5 | 171.2 | 67.3 | 165.9 | 0 | 0 | 0 | 109.5 | R20 P29 T30 E32 A45 T387 | R20-I22 HydrophobicContact CG-CG2 4.1Å; I22-P29 CarbonylContact O-C 3.55Å; I22-P29 VanDerWaalsContact O-CA 3.26Å; I22-P29 WeakPolarHBondContact O-CA 3.46Å; I22-T30 HydrophobicContact CD1-CG2 4.21Å; I22-T30 HydrophobicContact CG1-CG2 3.68Å; I22-T30 PolarHBondContact N-O 3.46Å; I22-T30 PolarHBondContact O-N 2.99Å; I22-E32 HydrophobicContact CD1-CB 4Å; I22-E32 HydrophobicContact CG1-CB 4.07Å; I22-E32 HydrophobicContact CG2-CB 3.85Å; I22-A45 HydrophobicContact CD1-CB 3.75Å; I22-T387 HydrophobicContact CD1-CG2 4.43Å |
| 23 | L | 98.8 | Very high | 97.6 | Very high | 83 Ų | 83 | 33.8 Ų | 33.8 | 44% | 0.435 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.8 | 175.1 | -59.3 | -177 | 0 | 0 | 0 | 111.5 | N28 P29 Y68 | L23-N28 CarbonylContact C-O 3.58Å; L23-N28 WeakPolarHBondContact CA-O 2.88Å; L23-P29 HydrophobicContact CD2-CG 4.34Å; L23-Y68 HydrophobicContact CD2-CE1 3.79Å |
| 24 | D | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | trans | -77 | 178.8 | 170.1 | 78.8 | 3.2 | 0 | 0 | 0 | 111.9 | R26 G27 N28 T30 E386 | D24-R26 PolarHBondContact O-N 3.22Å; D24-R26 VanDerWaalsContact O-N 3.07Å; D24-R26 WeakPolarHBondContact OD1-CA 3.34Å; D24-R26 WeakPolarHBondContact OD1-CB 3.44Å; D24-R26 PolarHBondContact OD1-N 3.14Å; D24-R26 IonicContact OD2-NE 2.62Å; D24-R26 IonicContact OD2-NH2 3.93Å; D24-G27 PolarHBondContact O-N 3.09Å; D24-G27 PolarHBondContact OD1-N 3.49Å; D24-N28 PolarHBondContact N-O 2.77Å; D24-N28 PolarHBondContact OD1-N 2.91Å; D24-T30 HydrophobicContact CB-CG2 4.35Å; D24-E386 CarbonylContact C-O 3.58Å; D24-E386 WeakPolarHBondContact CA-O 3.28Å | ||
| 25 | S | 97.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.8 | -178.8 | 64.6 | 0 | 0 | 0 | 0 | 114.7 | S384 E386 R411 E413 | S25-S384 PolarHBondContact OG-O 2.91Å; S25-E386 WeakPolarHBondContact CB-O 3.34Å; S25-E386 PolarHBondContact N-O 2.86Å; S25-E386 PolarHBondContact OG-N 3.47Å; S25-E386 PolarHBondContact OG-O 3.28Å; S25-R411 PolarHBondContact O-NH2 3.03Å; S25-E413 VanDerWaalsContact CB-CG 3.48Å |
| 26 | R | 96 | Very high | 98.5 | Very high | 64 Ų | 64 | 30.5 Ų | 30.5 | 24% | 0.242 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 3 | 175.7 | -60.4 | 179 | -61.7 | 175.6 | -4.7 | 111.9 | D24 N28 S48 G49 D220 | D24-R26 PolarHBondContact O-N 3.22Å; D24-R26 VanDerWaalsContact O-N 3.07Å; D24-R26 WeakPolarHBondContact OD1-CA 3.34Å; D24-R26 WeakPolarHBondContact OD1-CB 3.44Å; D24-R26 PolarHBondContact OD1-N 3.14Å; D24-R26 IonicContact OD2-NE 2.62Å; D24-R26 IonicContact OD2-NH2 3.93Å; R26-N28 VanDerWaalsContact C-N 3.31Å; R26-N28 WeakPolarHBondContact CB-ND2 3.42Å; R26-S48 PolarHBondContact NH2-O 3.31Å; R26-G49 PolarHBondContact NH1-O 2.96Å; R26-G49 PolarHBondContact NH2-O 2.91Å; R26-D220 WeakPolarHBondContact CD-OD2 3.37Å |
| 27 | G | 97.6 | Very high | 98.5 | Very high | 39 Ų | 39 | 25.8 Ų | 25.8 | 40% | 0.402 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 75.6 | 15.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | D24 | D24-G27 PolarHBondContact O-N 3.09Å; D24-G27 PolarHBondContact OD1-N 3.49Å |
| 28 | N | 98.3 | Very high | 98.4 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | trans | -90.3 | 149.3 | 173.1 | -56.9 | -67 | 0 | 0 | 0 | 110.1 | L23 D24 R26 K71 | L23-N28 CarbonylContact C-O 3.58Å; L23-N28 WeakPolarHBondContact CA-O 2.88Å; D24-N28 PolarHBondContact N-O 2.77Å; D24-N28 PolarHBondContact OD1-N 2.91Å; R26-N28 VanDerWaalsContact C-N 3.31Å; R26-N28 WeakPolarHBondContact CB-ND2 3.42Å; N28-K71 HydrophobicContact CB-CD 4.33Å; N28-K71 WeakPolarHBondContact OD1-CD 3.48Å; N28-K71 PolarHBondContact OD1-NZ 3.09Å; N28-K71 VanDerWaalsContact OD1-NZ 3.08Å | ||
| 29 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 146.8 | 173.6 | -28.7 | 37.6 | 0 | 0 | 0 | 114.2 | E21 I22 L23 R61 Y68 K71 T73 | E21-P29 VanDerWaalsContact CD-CB 3.49Å; E21-P29 HydrophobicContact CG-CB 3.7Å; E21-P29 WeakPolarHBondContact OE1-CB 3.34Å; I22-P29 CarbonylContact O-C 3.55Å; I22-P29 VanDerWaalsContact O-CA 3.26Å; I22-P29 WeakPolarHBondContact O-CA 3.46Å; L23-P29 HydrophobicContact CD2-CG 4.34Å; P29-R61 PolarHBondContact O-NH1 3.44Å; P29-Y68 HydrophobicContact CG-CD1 3.64Å; P29-Y68 HydrophobicContact CG-CD2 3.4Å; P29-Y68 HydrophobicContact CG-CE1 4.09Å; P29-Y68 HydrophobicContact CG-CE2 3.88Å; P29-Y68 HydrophobicContact CG-CG 3.28Å; P29-K71 WeakPolarHBondContact CB-O 3.46Å; P29-K71 WeakPolarHBondContact CG-O 3.03Å; P29-T73 HydrophobicContact CB-CG2 4.29Å |
| 30 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 167.9 | 166.9 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | E21 I22 D24 V46 T387 | E21-T30 WeakPolarHBondContact CA-O 3.45Å; I22-T30 HydrophobicContact CD1-CG2 4.21Å; I22-T30 HydrophobicContact CG1-CG2 3.68Å; I22-T30 PolarHBondContact N-O 3.46Å; I22-T30 PolarHBondContact O-N 2.99Å; D24-T30 HydrophobicContact CB-CG2 4.35Å; T30-V46 WeakPolarHBondContact CB-O 3.26Å; T30-V46 WeakPolarHBondContact CG2-O 3.47Å; T30-V46 PolarHBondContact OG1-O 3.06Å; T30-T387 HydrophobicContact CG2-CG2 3.89Å |
| 31 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.4 | -177 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | A19 V33 V46 A76 V77 N120 | A19-V31 HydrophobicContact CB-CG1 4.39Å; V31-V33 HydrophobicContact CG1-CG2 4.05Å; V31-V46 PolarHBondContact O-N 3.16Å; V31-A76 HydrophobicContact CG2-CB 3.79Å; V31-V77 HydrophobicContact CG1-CG2 4.45Å; V31-V77 HydrophobicContact CG2-CG2 4.31Å; V31-N120 HydrophobicContact CG2-CB 4.26Å |
| 32 | E | 98.9 | Very high | 98.2 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.6 | 165.5 | -177.4 | -176.4 | 82.4 | 0 | 0 | 109.6 | A19 R20 I22 R43 A44 A45 | A19-E32 CarbonylContact C-O 3.51Å; A19-E32 WeakPolarHBondContact CA-O 3.49Å; R20-E32 VanDerWaalsContact CD-OE1 3.32Å; R20-E32 WeakPolarHBondContact CD-OE1 3.46Å; R20-E32 HydrophobicContact CG-CB 4.03Å; R20-E32 IonicContact CZ-OE1 3.56Å; R20-E32 PolarHBondContact N-O 2.99Å; R20-E32 IonicContact NE-OE1 3.21Å; R20-E32 IonicContact NH1-OE1 2.97Å; R20-E32 PolarHBondContact NH1-OE1 3.45Å; R20-E32 PolarHBondContact O-N 3.22Å; I22-E32 HydrophobicContact CD1-CB 4Å; I22-E32 HydrophobicContact CG1-CB 4.07Å; I22-E32 HydrophobicContact CG2-CB 3.85Å; E32-R43 VanDerWaalsContact CD-CD 3.48Å; E32-R43 HydrophobicContact CG-CG 3.81Å; E32-R43 IonicContact OE1-NE 2.72Å; E32-R43 VanDerWaalsContact OE2-CD 3.27Å; E32-R43 WeakPolarHBondContact OE2-CD 3.43Å; E32-R43 IonicContact OE2-NE 3.83Å; E32-A44 CarbonylContact C-O 3.28Å; E32-A44 WeakPolarHBondContact CA-O 3.44Å; E32-A45 HydrophobicContact CB-CB 4.32Å; E32-A45 HydrophobicContact CG-CB 4.31Å |
| 33 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.1 | 179 | -179.8 | 0 | 0 | 0 | 0 | 110 | I17 A19 V31 R43 A44 V80 V125 A128 | I17-V33 HydrophobicContact CG2-CG1 3.8Å; A19-V33 HydrophobicContact CB-CG2 4.12Å; V31-V33 HydrophobicContact CG1-CG2 4.05Å; V33-R43 CarbonylContact O-C 3.59Å; V33-R43 WeakPolarHBondContact O-CA 3.48Å; V33-A44 PolarHBondContact N-O 3.45Å; V33-A44 PolarHBondContact O-N 2.84Å; V33-V80 HydrophobicContact CG2-CG1 4.29Å; V33-V80 HydrophobicContact CG2-CG2 4.49Å; V33-V125 HydrophobicContact CG1-CG2 4.07Å; V33-V125 HydrophobicContact CG2-CG2 4.23Å; V33-A128 HydrophobicContact CG1-CB 4.24Å |
| 34 | D | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.9 | 162.5 | -71.1 | -1.9 | 0 | 0 | 0 | 109.7 | I17 H18 R20 W36 L41 F42 R43 | I17-D34 CarbonylContact C-O 3.54Å; I17-D34 WeakPolarHBondContact CA-O 3.28Å; H18-D34 PolarHBondContact N-O 3.28Å; H18-D34 PolarHBondContact O-N 3.06Å; R20-D34 IonicContact CZ-OD1 3.85Å; R20-D34 IonicContact CZ-OD2 2.62Å; R20-D34 VanDerWaalsContact CZ-OD2 3.3Å; R20-D34 IonicContact NH1-OD1 3.04Å; R20-D34 PolarHBondContact NH1-OD1 2.7Å; R20-D34 IonicContact NH1-OD2 2.95Å; R20-D34 PolarHBondContact NH1-OD2 2.87Å; R20-D34 IonicContact NH2-OD2 3.79Å; R20-D34 PolarHBondContact NH2-OD2 2.86Å; D34-W36 HydrophobicContact CB-CE3 4.03Å; D34-W36 HydrophobicContact CB-CH2 3.11Å; D34-W36 HydrophobicContact CB-CZ2 3.85Å; D34-W36 HydrophobicContact CB-CZ3 3.21Å; D34-W36 VanDerWaalsContact O-CZ3 3.25Å; D34-W36 WeakPolarHBondContact O-CZ3 3.37Å; D34-L41 HydrophobicContact CB-CD1 4.46Å; D34-L41 HydrophobicContact CB-CD2 4.37Å; D34-L41 HydrophobicContact CB-CG 4.25Å; D34-F42 CarbonylContact C-O 3.02Å; D34-F42 WeakPolarHBondContact CA-O 3.48Å; D34-R43 WeakPolarHBondContact OD1-CB 3.28Å; D34-R43 WeakPolarHBondContact OD1-CG 3.48Å; D34-R43 IonicContact OD1-CZ 2.7Å; D34-R43 IonicContact OD1-NE 2.68Å; D34-R43 PolarHBondContact OD1-NE 3.44Å; D34-R43 IonicContact OD1-NH2 3.96Å; D34-R43 PolarHBondContact OD1-NH2 3.05Å; D34-R43 IonicContact OD2-CZ 2.85Å; D34-R43 IonicContact OD2-NE 3.86Å; D34-R43 IonicContact OD2-NH2 2.81Å; D34-R43 PolarHBondContact OD2-NH2 3.37Å |
| 35 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.8 | 172.7 | -174.7 | 153 | 0 | 0 | 0 | 108.9 | I14 I17 T37 F42 V95 A128 V129 A132 | I14-L35 HydrophobicContact CD1-CD1 4.08Å; I14-L35 HydrophobicContact CG1-CD1 4.16Å; I14-L35 HydrophobicContact CG1-CD2 4.37Å; I14-L35 HydrophobicContact CG2-CD1 4.25Å; I14-L35 HydrophobicContact CG2-CD2 4.39Å; I14-L35 HydrophobicContact CG2-CG 4.06Å; I17-L35 HydrophobicContact CD1-CD1 4.17Å; I17-L35 HydrophobicContact CG1-CB 4.38Å; I17-L35 HydrophobicContact CG1-CD1 4Å; I17-L35 HydrophobicContact CG1-CG 3.97Å; L35-T37 HydrophobicContact CD2-CG2 3.62Å; L35-F42 HydrophobicContact CD2-CD2 4.41Å; L35-F42 PolarHBondContact N-O 3.13Å; L35-F42 PolarHBondContact O-N 3.13Å; L35-V95 HydrophobicContact CD2-CG1 4.23Å; L35-A128 HydrophobicContact CB-CB 3.86Å; L35-V129 HydrophobicContact CD1-CB 4.39Å; L35-V129 HydrophobicContact CD1-CG2 3.45Å; L35-V129 VanDerWaalsContact CD1-CG2 3.45Å; L35-A132 HydrophobicContact CD2-CB 3.78Å |
| 36 | W | 98.7 | Very high | 98.3 | Very high | 59 Ų | 59 | 31.6 Ų | 31.6 | 22% | 0.223 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.4 | 176.3 | -68.3 | -103.9 | 0 | 0 | 0 | 111.1 | T15 K16 H18 D34 G40 L41 | T15-W36 PolarHBondContact N-O 2.77Å; T15-W36 WeakPolarHBondContact OG1-CB 3.44Å; T15-W36 PolarHBondContact OG1-O 2.93Å; K16-W36 HydrophobicContact CB-CB 4.11Å; K16-W36 HydrophobicContact CB-CD2 4.23Å; K16-W36 HydrophobicContact CB-CE3 3.81Å; K16-W36 HydrophobicContact CB-CG 4.39Å; K16-W36 HydrophobicContact CD-CD2 4.31Å; K16-W36 HydrophobicContact CD-CE3 3.97Å; K16-W36 HydrophobicContact CD-CZ3 4.1Å; K16-W36 HydrophobicContact CG-CD2 4.48Å; K16-W36 HydrophobicContact CG-CE3 3.81Å; K16-W36 HydrophobicContact CG-CZ3 4.09Å; K16-W36 PolarHBondContact O-N 3.34Å; H18-W36 HydrophobicContact CB-CH2 3.99Å; H18-W36 HydrophobicContact CB-CZ3 3.69Å; D34-W36 HydrophobicContact CB-CE3 4.03Å; D34-W36 HydrophobicContact CB-CH2 3.11Å; D34-W36 HydrophobicContact CB-CZ2 3.85Å; D34-W36 HydrophobicContact CB-CZ3 3.21Å; D34-W36 VanDerWaalsContact O-CZ3 3.25Å; D34-W36 WeakPolarHBondContact O-CZ3 3.37Å; W36-G40 WeakPolarHBondContact CA-O 3.46Å; W36-L41 HydrophobicContact CD2-CG 4.42Å; W36-L41 HydrophobicContact CH2-CD1 4.31Å; W36-L41 HydrophobicContact CZ2-CD1 3.37Å; W36-L41 HydrophobicContact CZ2-CG 3.96Å |
| 37 | T | 98.1 | Very high | 98.3 | Very high | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | -177.4 | 162.4 | 77.8 | 0 | 0 | 0 | 0 | 108.2 | L35 K39 G40 F42 V95 A132 | L35-T37 HydrophobicContact CD2-CG2 3.62Å; T37-K39 PolarHBondContact O-N 3.35Å; T37-K39 WeakPolarHBondContact OG1-CB 3.4Å; T37-K39 PolarHBondContact OG1-N 3.26Å; T37-G40 PolarHBondContact N-O 3.46Å; T37-G40 PolarHBondContact O-N 3.01Å; T37-G40 VanDerWaalsContact O-N 3.08Å; T37-F42 HydrophobicContact CG2-CD2 4.5Å; T37-F42 HydrophobicContact CG2-CE2 4.27Å; T37-V95 HydrophobicContact CG2-CG1 3.88Å; T37-V95 HydrophobicContact CG2-CG2 4.4Å; T37-A132 HydrophobicContact CG2-CB 4.11Å |
| 38 | A | 95.9 | Very high | 98.1 | Very high | 82 Ų | 82 | 27.3 Ų | 27.3 | 68% | 0.678 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M12 | M12-A38 HydrophobicContact CE-CB 4.12Å; M12-A38 HydrophobicContact SD-CB 3.52Å; M12-A38 VanDerWaalsContact SD-CB 3.52Å |
| 39 | K | 96.9 | Very high | 97.3 | Very high | 121 Ų | 121 | 26.7 Ų | 26.7 | 53% | 0.526 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.6 | 169.5 | -67.1 | -54.7 | -171.2 | 176.5 | 0 | 113.9 | M12 T37 F42 | M12-K39 HydrophobicContact CE-CB 4.47Å; M12-K39 HydrophobicContact CE-CD 3.58Å; M12-K39 VanDerWaalsContact CE-CE 3.48Å; M12-K39 HydrophobicContact CE-CG 3.43Å; M12-K39 VanDerWaalsContact CE-CG 3.43Å; T37-K39 PolarHBondContact O-N 3.35Å; T37-K39 WeakPolarHBondContact OG1-CB 3.4Å; T37-K39 PolarHBondContact OG1-N 3.26Å; K39-F42 HydrophobicContact CB-CE2 4.05Å; K39-F42 HydrophobicContact CB-CZ 3.69Å |
| 40 | G | 97.8 | Very high | 96 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 31% | 0.309 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.7 | -155.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W36 T37 F42 | W36-G40 WeakPolarHBondContact CA-O 3.46Å; T37-G40 PolarHBondContact N-O 3.46Å; T37-G40 PolarHBondContact O-N 3.01Å; T37-G40 VanDerWaalsContact O-N 3.08Å; G40-F42 WeakPolarHBondContact O-CE2 3.32Å |
| 41 | L | 98.6 | Very high | 94.3 | Very high | 75 Ų | 75 | 29 Ų | 29 | 39% | 0.393 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.8 | -177.7 | -177.6 | 163.6 | 0 | 0 | 0 | 110.1 | D34 W36 R43 | D34-L41 HydrophobicContact CB-CD1 4.46Å; D34-L41 HydrophobicContact CB-CD2 4.37Å; D34-L41 HydrophobicContact CB-CG 4.25Å; W36-L41 HydrophobicContact CD2-CG 4.42Å; W36-L41 HydrophobicContact CH2-CD1 4.31Å; W36-L41 HydrophobicContact CZ2-CD1 3.37Å; W36-L41 HydrophobicContact CZ2-CG 3.96Å; L41-R43 HydrophobicContact CD2-CB 3.98Å |
| 42 | F | 98.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 32.4 Ų | 32.4 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.2 | 175.7 | -56.7 | -78.8 | 0 | 0 | 0 | 109.3 | D34 L35 T37 K39 G40 K131 A132 A135 | D34-F42 CarbonylContact C-O 3.02Å; D34-F42 WeakPolarHBondContact CA-O 3.48Å; L35-F42 HydrophobicContact CD2-CD2 4.41Å; L35-F42 PolarHBondContact N-O 3.13Å; L35-F42 PolarHBondContact O-N 3.13Å; T37-F42 HydrophobicContact CG2-CD2 4.5Å; T37-F42 HydrophobicContact CG2-CE2 4.27Å; K39-F42 HydrophobicContact CB-CE2 4.05Å; K39-F42 HydrophobicContact CB-CZ 3.69Å; G40-F42 WeakPolarHBondContact O-CE2 3.32Å; F42-K131 HydrophobicContact CB-CB 4.13Å; F42-K131 HydrophobicContact CD1-CB 4.27Å; F42-A132 HydrophobicContact CB-CB 4.17Å; F42-A132 HydrophobicContact CD1-CB 4.29Å; F42-A132 HydrophobicContact CD2-CB 3.38Å; F42-A132 HydrophobicContact CE2-CB 3.82Å; F42-A132 HydrophobicContact CG-CB 3.64Å; F42-A132 HydrophobicContact CZ-CB 4.44Å; F42-A135 HydrophobicContact CD1-CB 4.38Å; F42-A135 HydrophobicContact CE1-CB 3.24Å; F42-A135 HydrophobicContact CZ-CB 3.38Å |
| 43 | R | 98.9 | Very high | 92.1 | Very high | 114 Ų | 114 | 32 Ų | 32 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.6 | -172.5 | 178.1 | 172.3 | -70.7 | 168.1 | 5.4 | 111 | E32 V33 D34 L41 K131 | E32-R43 VanDerWaalsContact CD-CD 3.48Å; E32-R43 HydrophobicContact CG-CG 3.81Å; E32-R43 IonicContact OE1-NE 2.72Å; E32-R43 VanDerWaalsContact OE2-CD 3.27Å; E32-R43 WeakPolarHBondContact OE2-CD 3.43Å; E32-R43 IonicContact OE2-NE 3.83Å; V33-R43 CarbonylContact O-C 3.59Å; V33-R43 WeakPolarHBondContact O-CA 3.48Å; D34-R43 WeakPolarHBondContact OD1-CB 3.28Å; D34-R43 WeakPolarHBondContact OD1-CG 3.48Å; D34-R43 IonicContact OD1-CZ 2.7Å; D34-R43 IonicContact OD1-NE 2.68Å; D34-R43 PolarHBondContact OD1-NE 3.44Å; D34-R43 IonicContact OD1-NH2 3.96Å; D34-R43 PolarHBondContact OD1-NH2 3.05Å; D34-R43 IonicContact OD2-CZ 2.85Å; D34-R43 IonicContact OD2-NE 3.86Å; D34-R43 IonicContact OD2-NH2 2.81Å; D34-R43 PolarHBondContact OD2-NH2 3.37Å; L41-R43 HydrophobicContact CD2-CB 3.98Å; R43-K131 WeakPolarHBondContact O-CD 3.33Å; R43-K131 WeakPolarHBondContact O-CE 3.44Å; R43-K131 PolarHBondContact O-NZ 3.04Å |
| 44 | A | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E32 V33 L127 A128 K131 D389 | E32-A44 CarbonylContact C-O 3.28Å; E32-A44 WeakPolarHBondContact CA-O 3.44Å; V33-A44 PolarHBondContact N-O 3.45Å; V33-A44 PolarHBondContact O-N 2.84Å; A44-L127 HydrophobicContact CB-CB 3.38Å; A44-L127 HydrophobicContact CB-CD1 4.29Å; A44-L127 HydrophobicContact CB-CG 4.49Å; A44-A128 HydrophobicContact CB-CB 4.15Å; A44-K131 HydrophobicContact CB-CD 4.4Å; A44-D389 WeakPolarHBondContact CA-OD2 3.3Å |
| 45 | A | 98.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 147.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I22 E32 T387 D389 | I22-A45 HydrophobicContact CD1-CB 3.75Å; E32-A45 HydrophobicContact CB-CB 4.32Å; E32-A45 HydrophobicContact CG-CB 4.31Å; A45-T387 HydrophobicContact CB-CG2 3.9Å; A45-D389 HydrophobicContact CB-CB 4.35Å; A45-D389 PolarHBondContact N-OD2 3.11Å |
| 46 | V | 98.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | trans | -99.8 | 131.8 | -174.6 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | T30 V31 N120 L123 N356 | T30-V46 WeakPolarHBondContact CB-O 3.26Å; T30-V46 WeakPolarHBondContact CG2-O 3.47Å; T30-V46 PolarHBondContact OG1-O 3.06Å; V31-V46 PolarHBondContact O-N 3.16Å; V46-N120 HydrophobicContact CG1-CB 3.95Å; V46-N120 WeakPolarHBondContact CG2-O 3.41Å; V46-L123 HydrophobicContact CG1-CD2 3.87Å; V46-L123 HydrophobicContact CG2-CB 4.19Å; V46-L123 HydrophobicContact CG2-CD2 4.21Å; V46-L123 HydrophobicContact CG2-CG 4.29Å; V46-N356 HydrophobicContact CG1-CB 4.39Å | ||
| 47 | P | 97.8 | Very high | 90.2 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.071 | 23% | 0.228 | C | C | . | . | trans | -80.6 | 166.1 | 174.2 | 35.4 | -37.1 | 0 | 0 | 0 | 111.9 | N356 R383 G385 | P47-N356 HydrophobicContact CG-CB 4.32Å; P47-N356 PolarHBondContact O-ND2 3.29Å; P47-R383 HydrophobicContact CB-CB 4.02Å; P47-R383 HydrophobicContact CB-CG 3.85Å; P47-R383 HydrophobicContact CG-CG 3.96Å; P47-G385 CarbonylContact C-O 3.58Å; P47-G385 WeakPolarHBondContact CA-O 3.26Å; P47-G385 WeakPolarHBondContact CB-O 3.27Å | ||
| 48 | S | 92.6 | Very high | 90 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -135.3 | 143.4 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 112 | R26 E59 R61 R383 G385 | R26-S48 PolarHBondContact NH2-O 3.31Å; S48-E59 PolarHBondContact OG-OE1 3.04Å; S48-E59 PolarHBondContact OG-OE2 3.47Å; S48-R61 PolarHBondContact OG-NH2 3.45Å; S48-R383 WeakPolarHBondContact O-CB 3.26Å; S48-G385 PolarHBondContact N-O 2.96Å; S48-G385 CarbonylContact O-C 3.58Å; S48-G385 WeakPolarHBondContact O-CA 3.39Å; S48-G385 PolarHBondContact O-N 3.18Å |
| 49 | G | 81.9 | Confident | 90 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | trans | -84 | 167.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R26 | R26-G49 PolarHBondContact NH1-O 2.96Å; R26-G49 PolarHBondContact NH2-O 2.91Å | ||
| 50 | A | 71.4 | Confident | 90 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 35% | 0.347 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -107.3 | -60.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S384 | A50-S384 VanDerWaalsContact CB-OG 3.22Å; A50-S384 WeakPolarHBondContact CB-OG 3.4Å; A50-S384 PolarHBondContact N-OG 2.62Å |
| 51 | S | 62.7 | Low | 90 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -79.3 | 122.5 | 159.5 | 56.2 | 0 | 0 | 0 | 0 | 108 | R383 | S51-R383 PolarHBondContact O-NH2 3.35Š|
| 52 | T | 75.8 | Confident | 90 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 44% | 0.442 | 18% | 0.184 | S | C | . | . | trans | -126 | 117.1 | 177.2 | 55.4 | 0 | 0 | 0 | 0 | 107.6 | E56 | T52-E56 WeakPolarHBondContact CA-OE1 3.42Š| ||
| 53 | G | 74.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | trans | -54 | 144.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | H55 E56 D330 | G53-H55 PolarHBondContact O-N 3.08Å; G53-E56 PolarHBondContact N-OE1 3.39Å; G53-E56 WeakPolarHBondContact O-CG 2.87Å; G53-E56 PolarHBondContact O-N 3Å; G53-D330 WeakPolarHBondContact CA-OD1 3.19Å; G53-D330 PolarHBondContact N-OD1 3.49Å | ||
| 54 | V | 83.1 | Confident | 89.8 | Confident | 102 Ų | 102 | 33.8 Ų | 33.8 | 62% | 0.618 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.9 | -172.7 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 55 | H | 88.4 | Confident | 89.7 | Confident | 72 Ų | 72 | 42.7 Ų | 42.7 | 33% | 0.333 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 3.4 | -177.7 | -60.5 | -58 | 0 | 0 | 0 | 113.9 | G53 D310 V333 R338 | G53-H55 PolarHBondContact O-N 3.08Å; H55-D310 IonicContact NE2-OD1 3.38Å; H55-D310 IonicContact NE2-OD2 2.75Å; H55-V333 HydrophobicContact CB-CG1 4.39Å; H55-V333 HydrophobicContact CB-CG2 3.71Å; H55-R338 VanDerWaalsContact CD2-CZ 3.42Å; H55-R338 PolarHBondContact CD2-NH1 3.2Å; H55-R338 PolarHBondContact NE2-NH1 3.34Å |
| 56 | E | 90.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -60.1 | 153.4 | 175.1 | -68.9 | -169.6 | -164.2 | 0 | 0 | 111.7 | T52 G53 V333 Q357 R383 | T52-E56 WeakPolarHBondContact CA-OE1 3.42Å; G53-E56 PolarHBondContact N-OE1 3.39Å; G53-E56 WeakPolarHBondContact O-CG 2.87Å; G53-E56 PolarHBondContact O-N 3Å; E56-V333 HydrophobicContact CG-CB 4.05Å; E56-V333 HydrophobicContact CG-CG1 3.67Å; E56-Q357 VanDerWaalsContact CD-CG 3.45Å; E56-Q357 HydrophobicContact CG-CB 4.13Å; E56-Q357 HydrophobicContact CG-CG 3.77Å; E56-Q357 PolarHBondContact OE1-NE2 2.68Å; E56-R383 IonicContact OE1-CZ 2.97Å; E56-R383 IonicContact OE1-NH1 2.75Å; E56-R383 IonicContact OE1-NH2 2.91Å; E56-R383 PolarHBondContact OE1-NH2 3.11Å; E56-R383 IonicContact OE2-CZ 3.95Å; E56-R383 IonicContact OE2-NH1 3.45Å; E56-R383 PolarHBondContact OE2-NH1 2.99Å; E56-R383 IonicContact OE2-NH2 2.53Å; E56-R383 PolarHBondContact OE2-NH2 3.03Å |
| 57 | A | 93.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 144.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E59 K114 A119 Q357 | A57-E59 PolarHBondContact O-N 2.78Å; A57-K114 HydrophobicContact CB-CD 4.16Å; A57-A119 HydrophobicContact CB-CB 3.6Å; A57-Q357 WeakPolarHBondContact CB-O 3.31Å; A57-Q357 PolarHBondContact N-O 3.01Å |
| 58 | L | 94.7 | Very high | 89.6 | Confident | 70 Ų | 70 | 56 Ų | 56 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 120 | -168.3 | -176.4 | 71.5 | 0 | 0 | 0 | 111.6 | L60 N113 G118 A119 | L58-L60 PolarHBondContact O-N 3.12Å; L58-N113 PolarHBondContact N-O 3.08Å; L58-G118 CarbonylContact O-C 3.51Å; L58-G118 WeakPolarHBondContact O-CA 3.46Å; L58-A119 WeakPolarHBondContact O-CB 3.4Å; L58-A119 PolarHBondContact O-N 3.1Å |
| 59 | E | 95.6 | Very high | 89.9 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | trans | -76.8 | 111.5 | 163.1 | -172.5 | 179.9 | 173.2 | 0 | 0 | 110 | S48 A57 R61 N120 | S48-E59 PolarHBondContact OG-OE1 3.04Å; S48-E59 PolarHBondContact OG-OE2 3.47Å; A57-E59 PolarHBondContact O-N 2.78Å; E59-R61 PolarHBondContact O-N 2.92Å; E59-R61 IonicContact OE1-CZ 2.77Å; E59-R61 IonicContact OE1-NE 2.7Å; E59-R61 PolarHBondContact OE1-NE 3.18Å; E59-R61 IonicContact OE1-NH2 2.66Å; E59-R61 PolarHBondContact OE1-NH2 3.04Å; E59-R61 IonicContact OE2-NH2 3.5Å; E59-N120 HydrophobicContact CG-CB 4.24Å | ||
| 60 | L | 97.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | trans | -79.2 | 117 | -177.2 | -177.5 | 65.5 | 0 | 0 | 0 | 111 | L58 K75 A76 H79 F117 N120 | L58-L60 PolarHBondContact O-N 3.12Å; L60-K75 HydrophobicContact CD2-CB 3.96Å; L60-K75 HydrophobicContact CG-CB 4.32Å; L60-A76 HydrophobicContact CB-CB 4.38Å; L60-A76 HydrophobicContact CD2-CB 4.44Å; L60-H79 VanDerWaalsContact CD2-CD2 3.48Å; L60-H79 WeakPolarHBondContact CD2-CD2 3.19Å; L60-F117 WeakPolarHBondContact CD2-O 3.21Å; L60-N120 PolarHBondContact N-OD1 3.36Å; L60-N120 PolarHBondContact O-ND2 3.03Å | ||
| 61 | R | 97.6 | Very high | 91.8 | Very high | 54 Ų | 54 | 65 Ų | 65 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | trans | -112.6 | 155.2 | 175.1 | -61.5 | -65.7 | -170.4 | 160.1 | -6.4 | 111.5 | P29 S48 E59 K71 G72 | P29-R61 PolarHBondContact O-NH1 3.44Å; S48-R61 PolarHBondContact OG-NH2 3.45Å; E59-R61 PolarHBondContact O-N 2.92Å; E59-R61 IonicContact OE1-CZ 2.77Å; E59-R61 IonicContact OE1-NE 2.7Å; E59-R61 PolarHBondContact OE1-NE 3.18Å; E59-R61 IonicContact OE1-NH2 2.66Å; E59-R61 PolarHBondContact OE1-NH2 3.04Å; E59-R61 IonicContact OE2-NH2 3.5Å; R61-K71 PolarHBondContact NH1-O 2.9Å; R61-G72 CarbonylContact C-O 3.59Å; R61-G72 WeakPolarHBondContact CA-O 3.28Å | ||
| 62 | D | 97.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | trans | -71.2 | -35.3 | -175.8 | -66.9 | -19.7 | 0 | 0 | 0 | 112.5 | D64 R67 G72 T73 Q74 K75 | D62-D64 PolarHBondContact O-N 3.38Å; D62-R67 IonicContact OD2-NH1 3.87Å; D62-G72 VanDerWaalsContact CG-O 3.31Å; D62-G72 PolarHBondContact N-O 3.33Å; D62-G72 WeakPolarHBondContact OD2-CA 3.37Å; D62-T73 PolarHBondContact OD2-N 3.12Å; D62-Q74 VanDerWaalsContact CG-N 3.34Å; D62-Q74 PolarHBondContact OD1-N 3.01Å; D62-Q74 WeakPolarHBondContact OD2-CB 3.46Å; D62-Q74 PolarHBondContact OD2-N 3.28Å; D62-K75 WeakPolarHBondContact O-CE 3.47Å; D62-K75 PolarHBondContact O-NZ 3.47Å; D62-K75 WeakPolarHBondContact OD1-CG 3.33Å; D62-K75 PolarHBondContact OD1-N 3.18Å | ||
| 63 | G | 96.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | trans | 74.9 | 2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K65 G70 | G63-K65 PolarHBondContact O-N 3.25Å; G63-G70 WeakPolarHBondContact CA-O 3.46Å; G63-G70 PolarHBondContact N-O 3.43Å | ||
| 64 | D | 97.4 | Very high | 95.8 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | trans | -75.6 | 101.6 | 177.3 | 178.7 | 3 | 0 | 0 | 0 | 111.2 | D62 S66 R67 G70 | D62-D64 PolarHBondContact O-N 3.38Å; D64-S66 VanDerWaalsContact CG-OG 3.25Å; D64-S66 PolarHBondContact O-N 2.86Å; D64-S66 WeakPolarHBondContact OD1-CB 3.43Å; D64-S66 PolarHBondContact OD1-N 3.31Å; D64-S66 PolarHBondContact OD1-OG 3.29Å; D64-S66 PolarHBondContact OD2-OG 2.78Å; D64-R67 HydrophobicContact CB-CB 4.5Å; D64-R67 PolarHBondContact O-N 3.35Å; D64-G70 WeakPolarHBondContact O-CA 3.35Å; D64-G70 PolarHBondContact O-N 3.43Å | ||
| 65 | K | 97.1 | Very high | 96.5 | Very high | 186 Ų | 186 | 64.8 Ų | 64.8 | 81% | 0.809 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.8 | -179.1 | -66.2 | -174.2 | 178.3 | -178.8 | 0 | 113.8 | G63 R67 | G63-K65 PolarHBondContact O-N 3.25Å; K65-R67 VanDerWaalsContact C-N 3.33Å |
| 66 | S | 97.6 | Very high | 97 | Very high | 107 Ų | 107 | 61.3 Ų | 61.3 | 75% | 0.748 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -15.6 | 177.9 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | D64 | D64-S66 VanDerWaalsContact CG-OG 3.25Å; D64-S66 PolarHBondContact O-N 2.86Å; D64-S66 WeakPolarHBondContact OD1-CB 3.43Å; D64-S66 PolarHBondContact OD1-N 3.31Å; D64-S66 PolarHBondContact OD1-OG 3.29Å; D64-S66 PolarHBondContact OD2-OG 2.78Å |
| 67 | R | 98 | Very high | 97.4 | Very high | 83 Ų | 83 | 60.3 Ų | 60.3 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -124.9 | 120.3 | -176.9 | -171.8 | -177 | -174.7 | -85.2 | -7.1 | 111.1 | E21 D62 D64 K65 L69 G70 | E21-R67 IonicContact OE1-NH1 3.41Å; E21-R67 PolarHBondContact OE1-NH1 3.07Å; E21-R67 IonicContact OE2-CZ 3.06Å; E21-R67 IonicContact OE2-NH1 2.81Å; E21-R67 PolarHBondContact OE2-NH1 3.09Å; E21-R67 IonicContact OE2-NH2 2.73Å; E21-R67 PolarHBondContact OE2-NH2 3.05Å; D62-R67 IonicContact OD2-NH1 3.87Å; D64-R67 HydrophobicContact CB-CB 4.5Å; D64-R67 PolarHBondContact O-N 3.35Å; K65-R67 VanDerWaalsContact C-N 3.33Å; R67-L69 PolarHBondContact O-N 2.78Å; R67-G70 PolarHBondContact O-N 3.49Å |
| 68 | Y | 97.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 62.1 Ų | 62.1 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | 47.6 | 36.4 | -178.3 | -69.9 | -74.9 | 0 | 0 | 0 | 113.4 | L23 P29 G70 K71 | L23-Y68 HydrophobicContact CD2-CE1 3.79Å; P29-Y68 HydrophobicContact CG-CD1 3.64Å; P29-Y68 HydrophobicContact CG-CD2 3.4Å; P29-Y68 HydrophobicContact CG-CE1 4.09Å; P29-Y68 HydrophobicContact CG-CE2 3.88Å; P29-Y68 HydrophobicContact CG-CG 3.28Å; Y68-G70 PolarHBondContact O-N 3.29Å; Y68-K71 VanDerWaalsContact O-CB 3.29Å; Y68-K71 WeakPolarHBondContact O-CB 3.36Å; Y68-K71 PolarHBondContact O-N 3.19Å |
| 69 | L | 97.2 | Very high | 97.8 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | 56.7 | 31.5 | 179.5 | -46.7 | 177.1 | 0 | 0 | 0 | 113.8 | R67 | R67-L69 PolarHBondContact O-N 2.78Š|
| 70 | G | 97.2 | Very high | 98 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 12% | 0.124 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | 89.5 | -3.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G63 D64 R67 Y68 | G63-G70 WeakPolarHBondContact CA-O 3.46Å; G63-G70 PolarHBondContact N-O 3.43Å; D64-G70 WeakPolarHBondContact O-CA 3.35Å; D64-G70 PolarHBondContact O-N 3.43Å; R67-G70 PolarHBondContact O-N 3.49Å; Y68-G70 PolarHBondContact O-N 3.29Å |
| 71 | K | 98 | Very high | 98.1 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 13.6 | -173.8 | -56.8 | 177.2 | 177.8 | 179.7 | 0 | 114 | N28 P29 R61 Y68 | N28-K71 HydrophobicContact CB-CD 4.33Å; N28-K71 WeakPolarHBondContact OD1-CD 3.48Å; N28-K71 PolarHBondContact OD1-NZ 3.09Å; N28-K71 VanDerWaalsContact OD1-NZ 3.08Å; P29-K71 WeakPolarHBondContact CB-O 3.46Å; P29-K71 WeakPolarHBondContact CG-O 3.03Å; R61-K71 PolarHBondContact NH1-O 2.9Å; Y68-K71 VanDerWaalsContact O-CB 3.29Å; Y68-K71 WeakPolarHBondContact O-CB 3.36Å; Y68-K71 PolarHBondContact O-N 3.19Å |
| 72 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -56 | 156.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R61 D62 | R61-G72 CarbonylContact C-O 3.59Å; R61-G72 WeakPolarHBondContact CA-O 3.28Å; D62-G72 VanDerWaalsContact CG-O 3.31Å; D62-G72 PolarHBondContact N-O 3.33Å; D62-G72 WeakPolarHBondContact OD2-CA 3.37Å | ||
| 73 | T | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -125.6 | 18.9 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | E21 P29 D62 K75 A76 V77 | E21-T73 WeakPolarHBondContact CG-OG1 3.4Å; E21-T73 PolarHBondContact OE1-N 2.88Å; E21-T73 PolarHBondContact OE1-OG1 3.41Å; P29-T73 HydrophobicContact CB-CG2 4.29Å; D62-T73 PolarHBondContact OD2-N 3.12Å; T73-K75 PolarHBondContact O-N 3.09Å; T73-A76 PolarHBondContact O-N 3.05Å; T73-A76 VanDerWaalsContact O-N 3.1Å; T73-V77 WeakPolarHBondContact O-CG2 3.34Å; T73-V77 PolarHBondContact O-N 2.9Å | ||
| 74 | Q | 98.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 63.3 Ų | 63.3 | 36% | 0.36 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.9 | -34.3 | -176.8 | -169.9 | 61.6 | 60 | 0 | 0 | 112 | D62 V77 D78 | D62-Q74 VanDerWaalsContact CG-N 3.34Å; D62-Q74 PolarHBondContact OD1-N 3.01Å; D62-Q74 WeakPolarHBondContact OD2-CB 3.46Å; D62-Q74 PolarHBondContact OD2-N 3.28Å; Q74-V77 PolarHBondContact O-N 3.17Å; Q74-D78 PolarHBondContact NE2-OD1 3.14Å; Q74-D78 VanDerWaalsContact O-CB 3.26Å; Q74-D78 WeakPolarHBondContact O-CB 3.39Å; Q74-D78 VanDerWaalsContact O-CG 3.29Å; Q74-D78 PolarHBondContact O-N 3.26Å |
| 75 | K | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 60 Ų | 60 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 173.7 | -68.8 | 177.6 | -168.4 | 168.1 | 0 | 112.1 | L60 D62 T73 D78 H79 | L60-K75 HydrophobicContact CD2-CB 3.96Å; L60-K75 HydrophobicContact CG-CB 4.32Å; D62-K75 WeakPolarHBondContact O-CE 3.47Å; D62-K75 PolarHBondContact O-NZ 3.47Å; D62-K75 WeakPolarHBondContact OD1-CG 3.33Å; D62-K75 PolarHBondContact OD1-N 3.18Å; T73-K75 PolarHBondContact O-N 3.09Å; K75-D78 WeakPolarHBondContact O-CB 3.4Å; K75-D78 PolarHBondContact O-N 3.27Å; K75-H79 PolarHBondContact O-CD2 3.04Å; K75-H79 PolarHBondContact O-N 2.77Å |
| 76 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V31 L60 T73 D78 H79 V80 A121 | V31-A76 HydrophobicContact CG2-CB 3.79Å; L60-A76 HydrophobicContact CB-CB 4.38Å; L60-A76 HydrophobicContact CD2-CB 4.44Å; T73-A76 PolarHBondContact O-N 3.05Å; T73-A76 VanDerWaalsContact O-N 3.1Å; A76-D78 VanDerWaalsContact C-N 3.29Å; A76-D78 PolarHBondContact O-N 3.48Å; A76-H79 PolarHBondContact O-N 3.04Å; A76-V80 WeakPolarHBondContact O-CG2 3.3Å; A76-V80 PolarHBondContact O-N 2.82Å; A76-A121 HydrophobicContact CB-CB 4.26Å |
| 77 | V | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -42 | 173.4 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | A19 E21 V31 T73 Q74 V80 N81 | A19-V77 HydrophobicContact CB-CB 4.43Å; A19-V77 HydrophobicContact CB-CG1 4.09Å; A19-V77 HydrophobicContact CB-CG2 4.46Å; A19-V77 WeakPolarHBondContact O-CG1 3.42Å; E21-V77 HydrophobicContact CB-CG2 4.36Å; V31-V77 HydrophobicContact CG1-CG2 4.45Å; V31-V77 HydrophobicContact CG2-CG2 4.31Å; T73-V77 WeakPolarHBondContact O-CG2 3.34Å; T73-V77 PolarHBondContact O-N 2.9Å; Q74-V77 PolarHBondContact O-N 3.17Å; V77-V80 PolarHBondContact O-N 3.43Å; V77-N81 WeakPolarHBondContact CG1-ND2 3.44Å; V77-N81 WeakPolarHBondContact O-CB 3.32Å; V77-N81 PolarHBondContact O-N 3.33Å; V77-N81 PolarHBondContact O-ND2 3.41Å |
| 78 | D | 98.8 | Very high | 98.3 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 177.9 | -84 | 13.2 | 0 | 0 | 0 | 112 | Q74 K75 A76 V80 N81 K82 | Q74-D78 PolarHBondContact NE2-OD1 3.14Å; Q74-D78 VanDerWaalsContact O-CB 3.26Å; Q74-D78 WeakPolarHBondContact O-CB 3.39Å; Q74-D78 VanDerWaalsContact O-CG 3.29Å; Q74-D78 PolarHBondContact O-N 3.26Å; K75-D78 WeakPolarHBondContact O-CB 3.4Å; K75-D78 PolarHBondContact O-N 3.27Å; A76-D78 VanDerWaalsContact C-N 3.29Å; A76-D78 PolarHBondContact O-N 3.48Å; D78-V80 VanDerWaalsContact C-N 3.32Å; D78-V80 PolarHBondContact O-N 2.72Å; D78-N81 PolarHBondContact O-N 2.8Å; D78-K82 HydrophobicContact CB-CD 4.29Å; D78-K82 VanDerWaalsContact O-CB 3.24Å; D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.29Å; D78-K82 PolarHBondContact O-N 3.45Å; D78-K82 IonicContact OD1-NZ 3.53Å; D78-K82 IonicContact OD2-NZ 3.38Å; D78-K82 PolarHBondContact OD2-NZ 2.58Å |
| 79 | H | 98.8 | Very high | 98.3 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 18% | 0.181 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 174.1 | -70.6 | -54.4 | 0 | 0 | 0 | 111.8 | L60 K75 A76 E83 I84 K116 F117 | L60-H79 VanDerWaalsContact CD2-CD2 3.48Å; L60-H79 WeakPolarHBondContact CD2-CD2 3.19Å; K75-H79 PolarHBondContact O-CD2 3.04Å; K75-H79 PolarHBondContact O-N 2.77Å; A76-H79 PolarHBondContact O-N 3.04Å; H79-E83 IonicContact CE1-OE1 2.72Å; H79-E83 PolarHBondContact CE1-OE1 3.49Å; H79-E83 IonicContact CG-OE1 2.87Å; H79-E83 IonicContact ND1-OE1 3.31Å; H79-E83 PolarHBondContact ND1-OE1 3.34Å; H79-E83 WeakPolarHBondContact O-CA 3.33Å; H79-E83 WeakPolarHBondContact O-CB 3.44Å; H79-E83 PolarHBondContact O-N 2.89Å; H79-I84 PolarHBondContact O-N 3.07Å; H79-K116 PolarHBondContact NE2-O 3.34Å; H79-F117 HydrophobicContact CB-CB 4.31Å; H79-F117 HydrophobicContact CB-CD1 3.94Å; H79-F117 HydrophobicContact CB-CG 4.38Å; H79-F117 AromaticContact CG-CD1 3.8Å; H79-F117 AromaticContact ND1-CD1 3.74Å |
| 80 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -60.9 | -52.1 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | I17 A19 V33 A76 V77 D78 I84 A85 A121 V125 | I17-V80 HydrophobicContact CG2-CG1 3.79Å; A19-V80 HydrophobicContact CB-CB 3.57Å; A19-V80 HydrophobicContact CB-CG1 3.59Å; A19-V80 HydrophobicContact CB-CG2 4.1Å; V33-V80 HydrophobicContact CG2-CG1 4.29Å; V33-V80 HydrophobicContact CG2-CG2 4.49Å; A76-V80 WeakPolarHBondContact O-CG2 3.3Å; A76-V80 PolarHBondContact O-N 2.82Å; V77-V80 PolarHBondContact O-N 3.43Å; D78-V80 VanDerWaalsContact C-N 3.32Å; D78-V80 PolarHBondContact O-N 2.72Å; V80-I84 HydrophobicContact CG2-CD1 4.31Å; V80-A85 WeakPolarHBondContact O-CB 3.48Å; V80-A85 PolarHBondContact O-N 3.48Å; V80-A121 HydrophobicContact CG2-CB 3.69Å; V80-V125 HydrophobicContact CG1-CG2 3.7Å; V80-V125 HydrophobicContact CG2-CG2 4.2Å |
| 81 | N | 98.9 | Very high | 98.2 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -70.6 | -37.1 | -172.9 | -75.8 | -45.8 | 0 | 0 | 0 | 113.7 | H18 A19 V77 D78 | H18-N81 WeakPolarHBondContact CA-OD1 3.35Å; H18-N81 PolarHBondContact ND1-OD1 2.92Å; A19-N81 PolarHBondContact N-OD1 2.99Å; A19-N81 PolarHBondContact O-ND2 3.22Å; V77-N81 WeakPolarHBondContact CG1-ND2 3.44Å; V77-N81 WeakPolarHBondContact O-CB 3.32Å; V77-N81 PolarHBondContact O-N 3.33Å; V77-N81 PolarHBondContact O-ND2 3.41Å; D78-N81 PolarHBondContact O-N 2.8Å |
| 82 | K | 98.7 | Very high | 98 | Very high | 138 Ų | 138 | 53.9 Ų | 53.9 | 60% | 0.6 | 26% | 0.255 | S | S | * | . | I | π-helix | trans | -102 | -24.6 | -169.1 | -59.4 | 175.5 | -176.4 | 167 | 0 | 113.4 | D78 | D78-K82 HydrophobicContact CB-CD 4.29Å; D78-K82 VanDerWaalsContact O-CB 3.24Å; D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.29Å; D78-K82 PolarHBondContact O-N 3.45Å; D78-K82 IonicContact OD1-NZ 3.53Å; D78-K82 IonicContact OD2-NZ 3.38Å; D78-K82 PolarHBondContact OD2-NZ 2.58Å |
| 83 | E | 98.6 | Very high | 97.9 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -119.3 | -54.6 | -174.4 | -62.9 | -176.6 | -110.4 | 0 | 0 | 112.6 | H79 Q87 F117 | H79-E83 IonicContact CE1-OE1 2.72Å; H79-E83 PolarHBondContact CE1-OE1 3.49Å; H79-E83 IonicContact CG-OE1 2.87Å; H79-E83 IonicContact ND1-OE1 3.31Å; H79-E83 PolarHBondContact ND1-OE1 3.34Å; H79-E83 WeakPolarHBondContact O-CA 3.33Å; H79-E83 WeakPolarHBondContact O-CB 3.44Å; H79-E83 PolarHBondContact O-N 2.89Å; E83-Q87 WeakPolarHBondContact O-CG 3.42Å; E83-F117 HydrophobicContact CB-CE1 4.19Å; E83-F117 HydrophobicContact CB-CZ 4.35Å; E83-F117 WeakPolarHBondContact OE2-CE1 3.36Å |
| 84 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -70.9 | -48.6 | -175.9 | -61.9 | 169.7 | 0 | 0 | 0 | 111 | H79 V80 Q87 L88 M105 F117 A121 I122 V125 | H79-I84 PolarHBondContact O-N 3.07Å; V80-I84 HydrophobicContact CG2-CD1 4.31Å; I84-Q87 PolarHBondContact O-N 3.14Å; I84-L88 HydrophobicContact CG2-CD1 3.65Å; I84-L88 HydrophobicContact CG2-CG 4.18Å; I84-L88 PolarHBondContact O-N 3.07Å; I84-M105 HydrophobicContact CG2-CG 4.18Å; I84-M105 HydrophobicContact CG2-SD 3.88Å; I84-F117 HydrophobicContact CD1-CB 4.38Å; I84-F117 HydrophobicContact CD1-CD2 3.95Å; I84-F117 HydrophobicContact CD1-CG 4.25Å; I84-F117 HydrophobicContact CG1-CD2 4Å; I84-F117 HydrophobicContact CG1-CE2 4.05Å; I84-A121 HydrophobicContact CD1-CB 4.21Å; I84-I122 HydrophobicContact CD1-CG1 4.46Å; I84-V125 HydrophobicContact CG2-CG1 4.4Å; I84-V125 HydrophobicContact CG2-CG2 4.13Å |
| 85 | A | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -50.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I17 V80 Q87 L88 I89 | I17-A85 HydrophobicContact CB-CB 3.65Å; I17-A85 HydrophobicContact CG2-CB 3.97Å; V80-A85 WeakPolarHBondContact O-CB 3.48Å; V80-A85 PolarHBondContact O-N 3.48Å; A85-Q87 VanDerWaalsContact C-N 3.33Å; A85-Q87 PolarHBondContact O-N 2.75Å; A85-L88 PolarHBondContact O-N 2.89Å; A85-I89 WeakPolarHBondContact O-CD1 3.47Å; A85-I89 VanDerWaalsContact O-CG1 3.25Å; A85-I89 WeakPolarHBondContact O-CG1 3.27Å; A85-I89 PolarHBondContact O-N 2.79Å; A85-I89 VanDerWaalsContact O-N 3.12Å |
| 86 | P | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 179.3 | -24 | 35.6 | 0 | 0 | 0 | 112.6 | I89 E90 | P86-I89 PolarHBondContact O-N 3Å; P86-E90 WeakPolarHBondContact O-CB 3.29Å; P86-E90 PolarHBondContact O-N 3.23Å |
| 87 | Q | 98.1 | Very high | 97.6 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | -179.4 | -69.9 | -80 | -6.9 | 0 | 0 | 111.7 | E83 I84 A85 I89 E90 K91 F104 L108 | E83-Q87 WeakPolarHBondContact O-CG 3.42Å; I84-Q87 PolarHBondContact O-N 3.14Å; A85-Q87 VanDerWaalsContact C-N 3.33Å; A85-Q87 PolarHBondContact O-N 2.75Å; Q87-I89 PolarHBondContact O-N 3.31Å; Q87-E90 PolarHBondContact O-N 2.91Å; Q87-K91 WeakPolarHBondContact O-CG 3.33Å; Q87-K91 PolarHBondContact O-N 3.24Å; Q87-F104 HydrophobicContact CB-CE1 3.87Å; Q87-F104 HydrophobicContact CB-CZ 3.97Å; Q87-L108 HydrophobicContact CB-CD2 4.09Å; Q87-L108 HydrophobicContact CG-CD1 4.27Å; Q87-L108 HydrophobicContact CG-CD2 4.01Å |
| 88 | L | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 179.1 | -75.7 | 178.9 | 0 | 0 | 0 | 113 | I14 I17 I84 A85 E90 K91 K92 F93 I101 F104 M105 V125 | I14-L88 HydrophobicContact CD1-CB 4.35Å; I17-L88 HydrophobicContact CD1-CB 4.14Å; I17-L88 HydrophobicContact CD1-CD1 3.79Å; I84-L88 HydrophobicContact CG2-CD1 3.65Å; I84-L88 HydrophobicContact CG2-CG 4.18Å; I84-L88 PolarHBondContact O-N 3.07Å; A85-L88 PolarHBondContact O-N 2.89Å; L88-E90 VanDerWaalsContact C-N 3.35Å; L88-K91 PolarHBondContact O-N 3.22Å; L88-K92 PolarHBondContact O-N 2.98Å; L88-F93 HydrophobicContact CD2-CD2 4.28Å; L88-I101 HydrophobicContact CD1-CG2 4.35Å; L88-I101 HydrophobicContact CD2-CG2 3.9Å; L88-F104 HydrophobicContact CD2-CD1 3.52Å; L88-F104 HydrophobicContact CD2-CE1 3.95Å; L88-F104 HydrophobicContact CG-CD1 4.4Å; L88-F104 HydrophobicContact CG-CE1 4.44Å; L88-M105 HydrophobicContact CD1-CG 4.19Å; L88-M105 HydrophobicContact CD1-SD 3.96Å; L88-M105 HydrophobicContact CD2-CG 4.34Å; L88-V125 HydrophobicContact CD1-CG1 3.58Å |
| 89 | I | 97.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.7 | -67.1 | 165.9 | 0 | 0 | 0 | 110.1 | I14 A85 P86 Q87 K91 K92 | I14-I89 HydrophobicContact CG2-CG1 4Å; A85-I89 WeakPolarHBondContact O-CD1 3.47Å; A85-I89 VanDerWaalsContact O-CG1 3.25Å; A85-I89 WeakPolarHBondContact O-CG1 3.27Å; A85-I89 PolarHBondContact O-N 2.79Å; A85-I89 VanDerWaalsContact O-N 3.12Å; P86-I89 PolarHBondContact O-N 3Å; Q87-I89 PolarHBondContact O-N 3.31Å; I89-K91 PolarHBondContact O-N 2.95Å; I89-K92 WeakPolarHBondContact O-CG 3.5Å; I89-K92 PolarHBondContact O-N 3.49Å |
| 90 | E | 96.6 | Very high | 97.5 | Very high | 141 Ų | 141 | 57.9 Ų | 57.9 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 178.2 | -173.8 | -179.8 | 175.9 | 0 | 0 | 112.4 | P86 Q87 L88 K92 | P86-E90 WeakPolarHBondContact O-CB 3.29Å; P86-E90 PolarHBondContact O-N 3.23Å; Q87-E90 PolarHBondContact O-N 2.91Å; L88-E90 VanDerWaalsContact C-N 3.35Å; E90-K92 PolarHBondContact O-N 3.39Å |
| 91 | K | 95.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 57.9 Ų | 57.9 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.7 | -21.9 | 178.4 | -69 | -56.4 | -178 | -167.3 | 0 | 114 | Q87 L88 I89 F93 F104 | Q87-K91 WeakPolarHBondContact O-CG 3.33Å; Q87-K91 PolarHBondContact O-N 3.24Å; L88-K91 PolarHBondContact O-N 3.22Å; I89-K91 PolarHBondContact O-N 2.95Å; K91-F93 HydrophobicContact CB-CD1 4Å; K91-F93 HydrophobicContact CB-CD2 3.79Å; K91-F93 HydrophobicContact CB-CE1 3.79Å; K91-F93 HydrophobicContact CB-CE2 3.59Å; K91-F93 HydrophobicContact CB-CG 4.01Å; K91-F93 HydrophobicContact CB-CZ 3.6Å; K91-F93 HydrophobicContact CD-CZ 4.13Å; K91-F93 HydrophobicContact CG-CD2 4.44Å; K91-F93 HydrophobicContact CG-CE1 4.33Å; K91-F93 HydrophobicContact CG-CE2 3.79Å; K91-F93 HydrophobicContact CG-CZ 3.73Å; K91-F93 PolarHBondContact O-N 3.48Å; K91-F104 HydrophobicContact CD-CE2 4.24Å; K91-F104 HydrophobicContact CD-CZ 4.35Å; K91-F104 HydrophobicContact CG-CE1 4.12Å; K91-F104 HydrophobicContact CG-CE2 4.06Å; K91-F104 HydrophobicContact CG-CZ 3.81Å |
| 92 | K | 94.2 | Very high | 97.5 | Very high | 158 Ų | 158 | 55.8 Ų | 55.8 | 69% | 0.687 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.1 | -179.4 | -59.6 | 176.4 | -177.5 | 177.8 | 0 | 113 | L88 I89 E90 | L88-K92 PolarHBondContact O-N 2.98Å; I89-K92 WeakPolarHBondContact O-CG 3.5Å; I89-K92 PolarHBondContact O-N 3.49Å; E90-K92 PolarHBondContact O-N 3.39Å |
| 93 | F | 95.1 | Very high | 97.5 | Very high | 25 Ų | 25 | 55 Ų | 55 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -62.4 | 147.3 | 172.6 | -62.3 | -35.3 | 0 | 0 | 0 | 110.3 | L88 K91 K100 I101 F104 | L88-F93 HydrophobicContact CD2-CD2 4.28Å; K91-F93 HydrophobicContact CB-CD1 4Å; K91-F93 HydrophobicContact CB-CD2 3.79Å; K91-F93 HydrophobicContact CB-CE1 3.79Å; K91-F93 HydrophobicContact CB-CE2 3.59Å; K91-F93 HydrophobicContact CB-CG 4.01Å; K91-F93 HydrophobicContact CB-CZ 3.6Å; K91-F93 HydrophobicContact CD-CZ 4.13Å; K91-F93 HydrophobicContact CG-CD2 4.44Å; K91-F93 HydrophobicContact CG-CE1 4.33Å; K91-F93 HydrophobicContact CG-CE2 3.79Å; K91-F93 HydrophobicContact CG-CZ 3.73Å; K91-F93 PolarHBondContact O-N 3.48Å; F93-K100 HydrophobicContact CD1-CD 3.9Å; F93-K100 HydrophobicContact CD1-CG 4.49Å; F93-K100 HydrophobicContact CE1-CD 4.01Å; F93-K100 VanDerWaalsContact CE1-CE 3.42Å; F93-K100 HydrophobicContact CE1-CG 4.32Å; F93-K100 HydrophobicContact CG-CD 4.41Å; F93-K100 HydrophobicContact CZ-CG 4.39Å; F93-I101 HydrophobicContact CB-CD1 4.01Å; F93-I101 HydrophobicContact CB-CG1 3.7Å; F93-I101 HydrophobicContact CD2-CG1 3.78Å; F93-I101 HydrophobicContact CG-CG1 4.13Å; F93-F104 HydrophobicContact CE2-CB 3.77Å; F93-F104 HydrophobicContact CE2-CD1 4.06Å; F93-F104 HydrophobicContact CE2-CD2 4.27Å; F93-F104 AromaticContact CE2-CG 3.75Å; F93-F104 HydrophobicContact CE2-CG 3.75Å; F93-F104 HydrophobicContact CZ-CB 4.41Å; F93-F104 HydrophobicContact CZ-CD2 4.45Å; F93-F104 HydrophobicContact CZ-CG 4.34Å | ||
| 94 | S | 95.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 137.2 | 169.7 | -175.6 | 0 | 0 | 0 | 0 | 109 | V96 E97 I101 | S94-V96 PolarHBondContact O-N 2.89Å; S94-E97 PolarHBondContact N-OE2 3.41Å; S94-E97 WeakPolarHBondContact O-CB 3.49Å; S94-E97 PolarHBondContact O-N 2.88Å; S94-I101 WeakPolarHBondContact O-CD1 3.48Å |
| 95 | V | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -13.9 | -179.9 | -67.9 | 0 | 0 | 0 | 0 | 114.1 | I14 L35 T37 E97 A132 E136 | I14-V95 HydrophobicContact CD1-CG1 4.33Å; I14-V95 HydrophobicContact CG1-CG1 3.62Å; L35-V95 HydrophobicContact CD2-CG1 4.23Å; T37-V95 HydrophobicContact CG2-CG1 3.88Å; T37-V95 HydrophobicContact CG2-CG2 4.4Å; V95-E97 VanDerWaalsContact C-N 3.3Å; V95-A132 HydrophobicContact CB-CB 3.97Å; V95-A132 HydrophobicContact CG1-CB 3.97Å; V95-A132 HydrophobicContact CG2-CB 4.06Å; V95-E136 HydrophobicContact CG2-CB 3.85Å; V95-E136 HydrophobicContact CG2-CG 4.19Å |
| 96 | V | 97.4 | Very high | 97.5 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12 | 172.1 | -53.1 | 0 | 0 | 0 | 0 | 113.2 | S94 Q98 E136 K137 | S94-V96 PolarHBondContact O-N 2.89Å; V96-Q98 VanDerWaalsContact C-N 3.26Å; V96-Q98 PolarHBondContact O-N 3.28Å; V96-E136 HydrophobicContact CG1-CB 3.87Å; V96-E136 HydrophobicContact CG1-CG 3.73Å; V96-K137 HydrophobicContact CG1-CG 3.95Å |
| 97 | E | 97.7 | Very high | 97.5 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | trans | -87.1 | 53.8 | 178.1 | -59.5 | 178.5 | 105.6 | 0 | 0 | 111 | S94 V95 E99 K100 I101 | S94-E97 PolarHBondContact N-OE2 3.41Å; S94-E97 WeakPolarHBondContact O-CB 3.49Å; S94-E97 PolarHBondContact O-N 2.88Å; V95-E97 VanDerWaalsContact C-N 3.3Å; E97-E99 PolarHBondContact O-N 2.89Å; E97-K100 HydrophobicContact CB-CB 3.94Å; E97-K100 HydrophobicContact CB-CD 4.15Å; E97-K100 HydrophobicContact CG-CD 4.45Å; E97-K100 WeakPolarHBondContact O-CB 3.4Å; E97-K100 PolarHBondContact O-N 3.17Å; E97-K100 WeakPolarHBondContact OE1-CD 3.31Å; E97-K100 IonicContact OE1-NZ 2.93Å; E97-K100 PolarHBondContact OE1-NZ 3.41Å; E97-K100 IonicContact OE2-NZ 3.72Å; E97-K100 PolarHBondContact OE2-NZ 3.48Å; E97-I101 PolarHBondContact O-N 3.03Å | ||
| 98 | Q | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -48.4 | -52.4 | -175.1 | -175.4 | 70.3 | 44.8 | 0 | 0 | 112.7 | V96 K100 I101 D102 S126 C130 L148 V361 | V96-Q98 VanDerWaalsContact C-N 3.26Å; V96-Q98 PolarHBondContact O-N 3.28Å; Q98-K100 VanDerWaalsContact C-N 3.28Å; Q98-K100 PolarHBondContact O-N 2.99Å; Q98-I101 PolarHBondContact O-N 3.15Å; Q98-D102 VanDerWaalsContact NE2-CG 3.33Å; Q98-D102 PolarHBondContact NE2-OD1 2.99Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.16Å; Q98-D102 PolarHBondContact NE2-OD2 3.31Å; Q98-D102 WeakPolarHBondContact O-CB 3.4Å; Q98-D102 PolarHBondContact O-N 2.82Å; Q98-S126 PolarHBondContact NE2-O 3.32Å; Q98-S126 VanDerWaalsContact NE2-O 3.1Å; Q98-S126 PolarHBondContact NE2-OG 3.14Å; Q98-S126 VanDerWaalsContact NE2-OG 3.16Å; Q98-C130 VanDerWaalsContact OE1-CB 3.24Å; Q98-L148 HydrophobicContact CB-CD1 3.94Å; Q98-L148 HydrophobicContact CB-CD2 3.89Å; Q98-L148 HydrophobicContact CG-CD1 4.05Å; Q98-V361 HydrophobicContact CG-CB 4.43Å; Q98-V361 HydrophobicContact CG-CG1 4.35Å |
| 99 | E | 98.6 | Very high | 97.6 | Very high | 129 Ų | 129 | 55.8 Ų | 55.8 | 60% | 0.603 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.7 | -39 | -178.9 | 179.1 | 176.8 | -176.3 | 0 | 0 | 112.5 | E97 K103 T362 | E97-E99 PolarHBondContact O-N 2.89Å; E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 PolarHBondContact O-N 2.82Å; E99-T362 WeakPolarHBondContact CA-OG1 3.28Å; E99-T362 HydrophobicContact CB-CG2 4.16Å; E99-T362 HydrophobicContact CG-CG2 4Å |
| 100 | K | 98.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 56 Ų | 56 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71 | -40.6 | -179.3 | -169.3 | -173.1 | -172.1 | -175.9 | 0 | 111.6 | F93 E97 Q98 F104 | F93-K100 HydrophobicContact CD1-CD 3.9Å; F93-K100 HydrophobicContact CD1-CG 4.49Å; F93-K100 HydrophobicContact CE1-CD 4.01Å; F93-K100 VanDerWaalsContact CE1-CE 3.42Å; F93-K100 HydrophobicContact CE1-CG 4.32Å; F93-K100 HydrophobicContact CG-CD 4.41Å; F93-K100 HydrophobicContact CZ-CG 4.39Å; E97-K100 HydrophobicContact CB-CB 3.94Å; E97-K100 HydrophobicContact CB-CD 4.15Å; E97-K100 HydrophobicContact CG-CD 4.45Å; E97-K100 WeakPolarHBondContact O-CB 3.4Å; E97-K100 PolarHBondContact O-N 3.17Å; E97-K100 WeakPolarHBondContact OE1-CD 3.31Å; E97-K100 IonicContact OE1-NZ 2.93Å; E97-K100 PolarHBondContact OE1-NZ 3.41Å; E97-K100 IonicContact OE2-NZ 3.72Å; E97-K100 PolarHBondContact OE2-NZ 3.48Å; Q98-K100 VanDerWaalsContact C-N 3.28Å; Q98-K100 PolarHBondContact O-N 2.99Å; K100-F104 WeakPolarHBondContact O-CB 3.48Å; K100-F104 PolarHBondContact O-N 3.07Å |
| 101 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -47.8 | 178.2 | -69.7 | 166.4 | 0 | 0 | 0 | 110.2 | I14 L88 F93 S94 E97 Q98 F104 M105 V129 | I14-I101 HydrophobicContact CD1-CD1 4.5Å; L88-I101 HydrophobicContact CD1-CG2 4.35Å; L88-I101 HydrophobicContact CD2-CG2 3.9Å; F93-I101 HydrophobicContact CB-CD1 4.01Å; F93-I101 HydrophobicContact CB-CG1 3.7Å; F93-I101 HydrophobicContact CD2-CG1 3.78Å; F93-I101 HydrophobicContact CG-CG1 4.13Å; S94-I101 WeakPolarHBondContact O-CD1 3.48Å; E97-I101 PolarHBondContact O-N 3.03Å; Q98-I101 PolarHBondContact O-N 3.15Å; I101-F104 PolarHBondContact O-N 3.24Å; I101-M105 HydrophobicContact CG2-CE 4.2Å; I101-M105 WeakPolarHBondContact O-CG 3.46Å; I101-M105 PolarHBondContact O-N 2.94Å; I101-V129 HydrophobicContact CB-CG1 4.42Å; I101-V129 HydrophobicContact CD1-CG1 3.54Å; I101-V129 HydrophobicContact CD1-CG2 4.47Å; I101-V129 HydrophobicContact CG2-CG1 4.23Å; I101-V129 HydrophobicContact CG2-CG2 3.99Å |
| 102 | D | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 177 | -74.6 | -20.8 | 0 | 0 | 0 | 110.4 | Q98 F104 M105 L106 S126 T362 | Q98-D102 VanDerWaalsContact NE2-CG 3.33Å; Q98-D102 PolarHBondContact NE2-OD1 2.99Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.16Å; Q98-D102 PolarHBondContact NE2-OD2 3.31Å; Q98-D102 WeakPolarHBondContact O-CB 3.4Å; Q98-D102 PolarHBondContact O-N 2.82Å; D102-F104 VanDerWaalsContact C-N 3.27Å; D102-F104 PolarHBondContact O-N 2.87Å; D102-M105 PolarHBondContact O-N 3.02Å; D102-M105 WeakPolarHBondContact OD1-CE 3.48Å; D102-L106 VanDerWaalsContact O-CG 3.29Å; D102-L106 WeakPolarHBondContact O-CG 3.22Å; D102-L106 PolarHBondContact O-N 3.26Å; D102-S126 VanDerWaalsContact CG-OG 3.22Å; D102-S126 WeakPolarHBondContact OD1-CB 3.46Å; D102-S126 PolarHBondContact OD1-OG 3.37Å; D102-S126 PolarHBondContact OD2-OG 3.2Å; D102-T362 WeakPolarHBondContact OD2-CB 3.02Å; D102-T362 PolarHBondContact OD2-N 2.74Å; D102-T362 PolarHBondContact OD2-OG1 3.14Å |
| 103 | K | 98.6 | Very high | 97.6 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.8 | -42.5 | 177 | -178.5 | 174.5 | 177 | 174.6 | 0 | 112.4 | E99 L106 E107 | E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 PolarHBondContact O-N 2.82Å; K103-L106 PolarHBondContact O-N 2.97Å; K103-E107 WeakPolarHBondContact CE-OE1 3.29Å; K103-E107 HydrophobicContact CG-CG 4.49Å; K103-E107 WeakPolarHBondContact O-CG 3.25Å; K103-E107 PolarHBondContact O-N 3.26Å |
| 104 | F | 98.7 | Very high | 97.7 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 177 | 176.5 | -101 | 0 | 0 | 0 | 112.6 | Q87 L88 K91 F93 K100 I101 D102 L106 E107 L108 | Q87-F104 HydrophobicContact CB-CE1 3.87Å; Q87-F104 HydrophobicContact CB-CZ 3.97Å; L88-F104 HydrophobicContact CD2-CD1 3.52Å; L88-F104 HydrophobicContact CD2-CE1 3.95Å; L88-F104 HydrophobicContact CG-CD1 4.4Å; L88-F104 HydrophobicContact CG-CE1 4.44Å; K91-F104 HydrophobicContact CD-CE2 4.24Å; K91-F104 HydrophobicContact CD-CZ 4.35Å; K91-F104 HydrophobicContact CG-CE1 4.12Å; K91-F104 HydrophobicContact CG-CE2 4.06Å; K91-F104 HydrophobicContact CG-CZ 3.81Å; F93-F104 HydrophobicContact CE2-CB 3.77Å; F93-F104 HydrophobicContact CE2-CD1 4.06Å; F93-F104 HydrophobicContact CE2-CD2 4.27Å; F93-F104 AromaticContact CE2-CG 3.75Å; F93-F104 HydrophobicContact CE2-CG 3.75Å; F93-F104 HydrophobicContact CZ-CB 4.41Å; F93-F104 HydrophobicContact CZ-CD2 4.45Å; F93-F104 HydrophobicContact CZ-CG 4.34Å; K100-F104 WeakPolarHBondContact O-CB 3.48Å; K100-F104 PolarHBondContact O-N 3.07Å; I101-F104 PolarHBondContact O-N 3.24Å; D102-F104 VanDerWaalsContact C-N 3.27Å; D102-F104 PolarHBondContact O-N 2.87Å; F104-L106 VanDerWaalsContact C-N 3.34Å; F104-E107 PolarHBondContact O-N 3.49Å; F104-L108 HydrophobicContact CE1-CD2 4.46Å; F104-L108 VanDerWaalsContact O-CB 3.32Å; F104-L108 WeakPolarHBondContact O-CB 3.46Å; F104-L108 PolarHBondContact O-N 3.12Å |
| 105 | M | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.5 | -67.6 | -171 | -65.7 | 0 | 0 | 112 | I84 L88 I101 D102 L108 D109 I122 V125 | I84-M105 HydrophobicContact CG2-CG 4.18Å; I84-M105 HydrophobicContact CG2-SD 3.88Å; L88-M105 HydrophobicContact CD1-CG 4.19Å; L88-M105 HydrophobicContact CD1-SD 3.96Å; L88-M105 HydrophobicContact CD2-CG 4.34Å; I101-M105 HydrophobicContact CG2-CE 4.2Å; I101-M105 WeakPolarHBondContact O-CG 3.46Å; I101-M105 PolarHBondContact O-N 2.94Å; D102-M105 PolarHBondContact O-N 3.02Å; D102-M105 WeakPolarHBondContact OD1-CE 3.48Å; M105-L108 PolarHBondContact O-N 2.93Å; M105-D109 PolarHBondContact O-N 3.25Å; M105-I122 HydrophobicContact CB-CG2 4.07Å; M105-I122 HydrophobicContact CE-CG2 3.95Å; M105-I122 HydrophobicContact SD-CG2 4.32Å; M105-V125 HydrophobicContact CE-CB 4.36Å; M105-V125 HydrophobicContact CE-CG1 4.26Å; M105-V125 HydrophobicContact SD-CB 3.75Å; M105-V125 HydrophobicContact SD-CG1 3.57Å; M105-V125 VanDerWaalsContact SD-CG1 3.57Å |
| 106 | L | 98.6 | Very high | 97.7 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175 | -62.2 | 175.7 | 0 | 0 | 0 | 111.9 | D102 K103 F104 L108 D109 G110 K114 E363 | D102-L106 VanDerWaalsContact O-CG 3.29Å; D102-L106 WeakPolarHBondContact O-CG 3.22Å; D102-L106 PolarHBondContact O-N 3.26Å; K103-L106 PolarHBondContact O-N 2.97Å; F104-L106 VanDerWaalsContact C-N 3.34Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L106-D109 PolarHBondContact O-N 3.18Å; L106-G110 PolarHBondContact O-N 2.61Å; L106-K114 HydrophobicContact CD2-CD 4.29Å; L106-K114 HydrophobicContact CD2-CG 4.34Å; L106-E363 HydrophobicContact CD1-CG 4.19Å; L106-E363 WeakPolarHBondContact CD2-OE2 3.02Å |
| 107 | E | 98.5 | Very high | 97.8 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.1 | -35.9 | 175.6 | -72.8 | 171.5 | -178 | 0 | 0 | 112.2 | K103 F104 G110 | K103-E107 WeakPolarHBondContact CE-OE1 3.29Å; K103-E107 HydrophobicContact CG-CG 4.49Å; K103-E107 WeakPolarHBondContact O-CG 3.25Å; K103-E107 PolarHBondContact O-N 3.26Å; F104-E107 PolarHBondContact O-N 3.49Å; E107-G110 PolarHBondContact O-N 2.9Å |
| 108 | L | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.7 | -35.7 | 178 | -172.7 | 68.6 | 0 | 0 | 0 | 112.4 | Q87 F104 M105 L106 K116 F117 | Q87-L108 HydrophobicContact CB-CD2 4.09Å; Q87-L108 HydrophobicContact CG-CD1 4.27Å; Q87-L108 HydrophobicContact CG-CD2 4.01Å; F104-L108 HydrophobicContact CE1-CD2 4.46Å; F104-L108 VanDerWaalsContact O-CB 3.32Å; F104-L108 WeakPolarHBondContact O-CB 3.46Å; F104-L108 PolarHBondContact O-N 3.12Å; M105-L108 PolarHBondContact O-N 2.93Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L108-K116 PolarHBondContact O-NZ 3.16Å; L108-F117 HydrophobicContact CB-CE2 4.01Å; L108-F117 HydrophobicContact CD2-CE2 3.85Å; L108-F117 HydrophobicContact CD2-CZ 4.05Å; L108-F117 HydrophobicContact CG-CE2 3.65Å; L108-F117 HydrophobicContact CG-CZ 3.77Å |
| 109 | D | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -52.1 | 169.8 | 180 | -80.9 | 0 | 0 | 0 | 110.4 | M105 L106 T111 K114 K116 F117 I122 | M105-D109 PolarHBondContact O-N 3.25Å; L106-D109 PolarHBondContact O-N 3.18Å; D109-T111 VanDerWaalsContact C-N 3.28Å; D109-T111 PolarHBondContact O-N 3.22Å; D109-T111 WeakPolarHBondContact OD1-CB 3.33Å; D109-T111 PolarHBondContact OD1-N 3.29Å; D109-T111 PolarHBondContact OD1-OG1 2.57Å; D109-K114 WeakPolarHBondContact OD1-CA 3.47Å; D109-K116 WeakPolarHBondContact O-CD 3.25Å; D109-K116 WeakPolarHBondContact OD2-CB 3.33Å; D109-K116 PolarHBondContact OD2-N 3.16Å; D109-F117 HydrophobicContact CB-CD2 3.68Å; D109-F117 HydrophobicContact CB-CE2 4.05Å; D109-F117 HydrophobicContact CB-CG 4.4Å; D109-F117 PolarHBondContact OD2-N 2.88Å; D109-I122 HydrophobicContact CB-CD1 3.91Å |
| 110 | G | 98 | Very high | 97.8 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | trans | 75.4 | 7.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L106 E107 | L106-G110 PolarHBondContact O-N 2.61Å; E107-G110 PolarHBondContact O-N 2.9Å | ||
| 111 | T | 97.7 | Very high | 97.8 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -113.1 | 152.9 | 178.4 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | D109 N113 K114 S115 K116 | D109-T111 VanDerWaalsContact C-N 3.28Å; D109-T111 PolarHBondContact O-N 3.22Å; D109-T111 WeakPolarHBondContact OD1-CB 3.33Å; D109-T111 PolarHBondContact OD1-N 3.29Å; D109-T111 PolarHBondContact OD1-OG1 2.57Å; T111-N113 VanDerWaalsContact C-N 3.35Å; T111-N113 PolarHBondContact O-N 3.43Å; T111-K114 WeakPolarHBondContact OG1-CA 3.42Å; T111-K114 PolarHBondContact OG1-N 3.47Å; T111-K114 VanDerWaalsContact OG1-N 3.14Å; T111-S115 PolarHBondContact OG1-N 3.47Å; T111-S115 PolarHBondContact OG1-OG 3.43Å; T111-K116 HydrophobicContact CG2-CB 3.97Å |
| 112 | E | 93.6 | Very high | 97.8 | Very high | 152 Ų | 152 | 40.4 Ų | 40.4 | 71% | 0.71 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -38.4 | -177.3 | -179.8 | 168.7 | -159.4 | 0 | 0 | 112.9 | K337 | E112-K337 IonicContact OE1-NZ 3.87Å; E112-K337 PolarHBondContact OE1-NZ 3.36Å |
| 113 | N | 93.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 18.2 | -175.2 | 67.3 | -23.1 | 0 | 0 | 0 | 113.3 | L58 T111 S115 | L58-N113 PolarHBondContact N-O 3.08Å; T111-N113 VanDerWaalsContact C-N 3.35Å; T111-N113 PolarHBondContact O-N 3.43Å; N113-S115 PolarHBondContact O-N 3.06Å; N113-S115 WeakPolarHBondContact OD1-CB 3.19Å; N113-S115 PolarHBondContact OD1-OG 3.02Å |
| 114 | K | 97.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | trans | 59.1 | 32.1 | 179.8 | -56 | 169.3 | 170.1 | 66.5 | 0 | 113 | A57 L106 D109 T111 K116 G118 A119 I122 I358 E363 | A57-K114 HydrophobicContact CB-CD 4.16Å; L106-K114 HydrophobicContact CD2-CD 4.29Å; L106-K114 HydrophobicContact CD2-CG 4.34Å; D109-K114 WeakPolarHBondContact OD1-CA 3.47Å; T111-K114 WeakPolarHBondContact OG1-CA 3.42Å; T111-K114 PolarHBondContact OG1-N 3.47Å; T111-K114 VanDerWaalsContact OG1-N 3.14Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K114-K116 PolarHBondContact O-N 3.5Å; K114-G118 CarbonylContact O-C 3.55Å; K114-G118 WeakPolarHBondContact O-CA 3.35Å; K114-G118 PolarHBondContact O-N 3Å; K114-A119 HydrophobicContact CB-CB 4.28Å; K114-A119 HydrophobicContact CD-CB 4.05Å; K114-I122 HydrophobicContact CB-CD1 3.99Å; K114-I122 HydrophobicContact CD-CD1 4.1Å; K114-I122 HydrophobicContact CG-CD1 3.9Å; K114-I358 WeakPolarHBondContact CD-O 3.49Å; K114-I358 WeakPolarHBondContact CE-O 3.31Å; K114-I358 PolarHBondContact NZ-O 2.7Å; K114-E363 WeakPolarHBondContact CE-OE2 3.39Å; K114-E363 IonicContact NZ-OE1 2.71Å; K114-E363 PolarHBondContact NZ-OE1 3.12Å; K114-E363 IonicContact NZ-OE2 3.79Å; K114-E363 PolarHBondContact NZ-OE2 3.19Å | ||
| 115 | S | 96.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15.2 | -172.6 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | T111 N113 | T111-S115 PolarHBondContact OG1-N 3.47Å; T111-S115 PolarHBondContact OG1-OG 3.43Å; N113-S115 PolarHBondContact O-N 3.06Å; N113-S115 WeakPolarHBondContact OD1-CB 3.19Å; N113-S115 PolarHBondContact OD1-OG 3.02Å |
| 116 | K | 97.6 | Very high | 97.8 | Very high | 94 Ų | 94 | 33.3 Ų | 33.3 | 41% | 0.409 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -51.1 | 176.7 | 180 | -172 | 172.2 | -169.1 | 0 | 111 | H79 L108 D109 T111 K114 | H79-K116 PolarHBondContact NE2-O 3.34Å; L108-K116 PolarHBondContact O-NZ 3.16Å; D109-K116 WeakPolarHBondContact O-CD 3.25Å; D109-K116 WeakPolarHBondContact OD2-CB 3.33Å; D109-K116 PolarHBondContact OD2-N 3.16Å; T111-K116 HydrophobicContact CG2-CB 3.97Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K114-K116 PolarHBondContact O-N 3.5Å |
| 117 | F | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -23.5 | -179.4 | -62.8 | -30.9 | 0 | 0 | 0 | 113.8 | L60 H79 E83 I84 L108 D109 A121 I122 | L60-F117 WeakPolarHBondContact CD2-O 3.21Å; H79-F117 HydrophobicContact CB-CB 4.31Å; H79-F117 HydrophobicContact CB-CD1 3.94Å; H79-F117 HydrophobicContact CB-CG 4.38Å; H79-F117 AromaticContact CG-CD1 3.8Å; H79-F117 AromaticContact ND1-CD1 3.74Å; E83-F117 HydrophobicContact CB-CE1 4.19Å; E83-F117 HydrophobicContact CB-CZ 4.35Å; E83-F117 WeakPolarHBondContact OE2-CE1 3.36Å; I84-F117 HydrophobicContact CD1-CB 4.38Å; I84-F117 HydrophobicContact CD1-CD2 3.95Å; I84-F117 HydrophobicContact CD1-CG 4.25Å; I84-F117 HydrophobicContact CG1-CD2 4Å; I84-F117 HydrophobicContact CG1-CE2 4.05Å; L108-F117 HydrophobicContact CB-CE2 4.01Å; L108-F117 HydrophobicContact CD2-CE2 3.85Å; L108-F117 HydrophobicContact CD2-CZ 4.05Å; L108-F117 HydrophobicContact CG-CE2 3.65Å; L108-F117 HydrophobicContact CG-CZ 3.77Å; D109-F117 HydrophobicContact CB-CD2 3.68Å; D109-F117 HydrophobicContact CB-CE2 4.05Å; D109-F117 HydrophobicContact CB-CG 4.4Å; D109-F117 PolarHBondContact OD2-N 2.88Å; F117-A121 HydrophobicContact CB-CB 4.23Å; F117-A121 VanDerWaalsContact O-CB 3.25Å; F117-A121 WeakPolarHBondContact O-CB 3.33Å; F117-I122 HydrophobicContact CB-CG1 4.32Å; F117-I122 HydrophobicContact CD2-CD1 4.5Å; F117-I122 HydrophobicContact CD2-CG1 4.47Å |
| 118 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | 87.5 | 135.8 | -165 | 0 | 0 | 0 | 0 | 0 | 111.5 | L58 K114 N120 A121 I122 | L58-G118 CarbonylContact O-C 3.51Å; L58-G118 WeakPolarHBondContact O-CA 3.46Å; K114-G118 CarbonylContact O-C 3.55Å; K114-G118 WeakPolarHBondContact O-CA 3.35Å; K114-G118 PolarHBondContact O-N 3Å; G118-N120 WeakPolarHBondContact CA-OD1 3.42Å; G118-N120 PolarHBondContact O-N 2.98Å; G118-A121 WeakPolarHBondContact O-CB 3.45Å; G118-A121 PolarHBondContact O-N 3.38Å; G118-I122 PolarHBondContact O-N 2.9Å | ||
| 119 | A | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.1 | -32.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A57 L58 K114 I122 L123 | A57-A119 HydrophobicContact CB-CB 3.6Å; L58-A119 WeakPolarHBondContact O-CB 3.4Å; L58-A119 PolarHBondContact O-N 3.1Å; K114-A119 HydrophobicContact CB-CB 4.28Å; K114-A119 HydrophobicContact CD-CB 4.05Å; A119-I122 PolarHBondContact O-N 3.45Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 2.9Å |
| 120 | N | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.3 | -30.8 | 175.4 | 55.2 | -23.1 | 0 | 0 | 0 | 113.9 | V31 V46 E59 L60 G118 G124 | V31-N120 HydrophobicContact CG2-CB 4.26Å; V46-N120 HydrophobicContact CG1-CB 3.95Å; V46-N120 WeakPolarHBondContact CG2-O 3.41Å; E59-N120 HydrophobicContact CG-CB 4.24Å; L60-N120 PolarHBondContact N-OD1 3.36Å; L60-N120 PolarHBondContact O-ND2 3.03Å; G118-N120 WeakPolarHBondContact CA-OD1 3.42Å; G118-N120 PolarHBondContact O-N 2.98Å; N120-G124 PolarHBondContact O-N 3.05Å |
| 121 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.4 | -50.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A76 V80 I84 F117 G118 | A76-A121 HydrophobicContact CB-CB 4.26Å; V80-A121 HydrophobicContact CG2-CB 3.69Å; I84-A121 HydrophobicContact CD1-CB 4.21Å; F117-A121 HydrophobicContact CB-CB 4.23Å; F117-A121 VanDerWaalsContact O-CB 3.25Å; F117-A121 WeakPolarHBondContact O-CB 3.33Å; G118-A121 WeakPolarHBondContact O-CB 3.45Å; G118-A121 PolarHBondContact O-N 3.38Å |
| 122 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | -177.1 | -61.8 | 177.1 | 0 | 0 | 0 | 110.7 | I84 M105 D109 K114 F117 G118 A119 G124 V125 S126 G359 | I84-I122 HydrophobicContact CD1-CG1 4.46Å; M105-I122 HydrophobicContact CB-CG2 4.07Å; M105-I122 HydrophobicContact CE-CG2 3.95Å; M105-I122 HydrophobicContact SD-CG2 4.32Å; D109-I122 HydrophobicContact CB-CD1 3.91Å; K114-I122 HydrophobicContact CB-CD1 3.99Å; K114-I122 HydrophobicContact CD-CD1 4.1Å; K114-I122 HydrophobicContact CG-CD1 3.9Å; F117-I122 HydrophobicContact CB-CG1 4.32Å; F117-I122 HydrophobicContact CD2-CD1 4.5Å; F117-I122 HydrophobicContact CD2-CG1 4.47Å; G118-I122 PolarHBondContact O-N 2.9Å; A119-I122 PolarHBondContact O-N 3.45Å; I122-G124 PolarHBondContact O-N 3.36Å; I122-V125 PolarHBondContact O-N 3.26Å; I122-S126 WeakPolarHBondContact O-CB 3.34Å; I122-S126 PolarHBondContact O-N 2.72Å; I122-G359 WeakPolarHBondContact CG2-O 3.33Å |
| 123 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | -176.5 | -175.9 | 67.5 | 0 | 0 | 0 | 111.9 | V46 A119 V125 S126 L127 V355 N356 G359 | V46-L123 HydrophobicContact CG1-CD2 3.87Å; V46-L123 HydrophobicContact CG2-CB 4.19Å; V46-L123 HydrophobicContact CG2-CD2 4.21Å; V46-L123 HydrophobicContact CG2-CG 4.29Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 2.9Å; L123-V125 VanDerWaalsContact C-N 3.26Å; L123-V125 PolarHBondContact O-N 3.04Å; L123-S126 WeakPolarHBondContact O-CB 3.25Å; L123-S126 PolarHBondContact O-N 3.43Å; L123-S126 VanDerWaalsContact O-N 3.09Å; L123-L127 HydrophobicContact CD1-CD1 4.24Å; L123-L127 HydrophobicContact CD1-CD2 4.19Å; L123-L127 HydrophobicContact CD1-CG 3.97Å; L123-L127 HydrophobicContact CD2-CD1 4.25Å; L123-L127 HydrophobicContact CG-CD1 3.8Å; L123-L127 HydrophobicContact CG-CG 4Å; L123-L127 WeakPolarHBondContact O-CB 3.47Å; L123-L127 VanDerWaalsContact O-CG 3.23Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 2.96Å; L123-V355 HydrophobicContact CD1-CB 4.17Å; L123-V355 HydrophobicContact CD1-CG2 4.38Å; L123-V355 HydrophobicContact CD2-CG2 4.13Å; L123-N356 VanDerWaalsContact CD2-CA 3.47Å; L123-N356 HydrophobicContact CD2-CB 3.42Å; L123-N356 VanDerWaalsContact CD2-CB 3.42Å; L123-G359 WeakPolarHBondContact CA-O 3.2Å; L123-G359 PolarHBondContact N-O 2.95Å |
| 124 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.7 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | N120 I122 A128 | N120-G124 PolarHBondContact O-N 3.05Å; I122-G124 PolarHBondContact O-N 3.36Å; G124-A128 WeakPolarHBondContact O-CB 3.11Å; G124-A128 PolarHBondContact O-N 2.99Å; G124-A128 VanDerWaalsContact O-N 3.17Å |
| 125 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 111 | I17 V33 V80 I84 L88 M105 I122 L123 L127 A128 V129 | I17-V125 HydrophobicContact CD1-CG1 4.15Å; I17-V125 HydrophobicContact CG2-CG2 4.38Å; V33-V125 HydrophobicContact CG1-CG2 4.07Å; V33-V125 HydrophobicContact CG2-CG2 4.23Å; V80-V125 HydrophobicContact CG1-CG2 3.7Å; V80-V125 HydrophobicContact CG2-CG2 4.2Å; I84-V125 HydrophobicContact CG2-CG1 4.4Å; I84-V125 HydrophobicContact CG2-CG2 4.13Å; L88-V125 HydrophobicContact CD1-CG1 3.58Å; M105-V125 HydrophobicContact CE-CB 4.36Å; M105-V125 HydrophobicContact CE-CG1 4.26Å; M105-V125 HydrophobicContact SD-CB 3.75Å; M105-V125 HydrophobicContact SD-CG1 3.57Å; M105-V125 VanDerWaalsContact SD-CG1 3.57Å; I122-V125 PolarHBondContact O-N 3.26Å; L123-V125 VanDerWaalsContact C-N 3.26Å; L123-V125 PolarHBondContact O-N 3.04Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.41Å; V125-A128 PolarHBondContact O-N 3.38Å; V125-V129 HydrophobicContact CG1-CG2 4.14Å; V125-V129 WeakPolarHBondContact O-CB 3.33Å; V125-V129 VanDerWaalsContact O-CG2 3.22Å; V125-V129 WeakPolarHBondContact O-CG2 3.49Å; V125-V129 PolarHBondContact O-N 2.86Å |
| 126 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.5 | -44.8 | 179.8 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | Q98 D102 I122 L123 C130 V361 | Q98-S126 PolarHBondContact NE2-O 3.32Å; Q98-S126 VanDerWaalsContact NE2-O 3.1Å; Q98-S126 PolarHBondContact NE2-OG 3.14Å; Q98-S126 VanDerWaalsContact NE2-OG 3.16Å; D102-S126 VanDerWaalsContact CG-OG 3.22Å; D102-S126 WeakPolarHBondContact OD1-CB 3.46Å; D102-S126 PolarHBondContact OD1-OG 3.37Å; D102-S126 PolarHBondContact OD2-OG 3.2Å; I122-S126 WeakPolarHBondContact O-CB 3.34Å; I122-S126 PolarHBondContact O-N 2.72Å; L123-S126 WeakPolarHBondContact O-CB 3.25Å; L123-S126 PolarHBondContact O-N 3.43Å; L123-S126 VanDerWaalsContact O-N 3.09Å; S126-C130 PolarHBondContact O-N 2.98Å; S126-C130 VanDerWaalsContact O-N 3.07Å; S126-V361 WeakPolarHBondContact OG-CG2 3.34Å; S126-V361 PolarHBondContact OG-N 3.1Å |
| 127 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 177.4 | -63.7 | 173.1 | 0 | 0 | 0 | 111.9 | A44 L123 V125 V129 C130 K131 V361 F391 | A44-L127 HydrophobicContact CB-CB 3.38Å; A44-L127 HydrophobicContact CB-CD1 4.29Å; A44-L127 HydrophobicContact CB-CG 4.49Å; L123-L127 HydrophobicContact CD1-CD1 4.24Å; L123-L127 HydrophobicContact CD1-CD2 4.19Å; L123-L127 HydrophobicContact CD1-CG 3.97Å; L123-L127 HydrophobicContact CD2-CD1 4.25Å; L123-L127 HydrophobicContact CG-CD1 3.8Å; L123-L127 HydrophobicContact CG-CG 4Å; L123-L127 WeakPolarHBondContact O-CB 3.47Å; L123-L127 VanDerWaalsContact O-CG 3.23Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 2.96Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.41Å; L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 PolarHBondContact O-N 2.92Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 3.3Å; L127-K131 WeakPolarHBondContact O-CG 2.95Å; L127-K131 PolarHBondContact O-N 3.38Å; L127-V361 HydrophobicContact CD2-CG2 3.68Å; L127-V361 HydrophobicContact CG-CG2 4.43Å; L127-F391 HydrophobicContact CB-CD2 4.39Å; L127-F391 HydrophobicContact CB-CE2 4.45Å; L127-F391 HydrophobicContact CD2-CB 4.49Å; L127-F391 HydrophobicContact CD2-CD1 3.41Å; L127-F391 VanDerWaalsContact CD2-CD1 3.41Å; L127-F391 HydrophobicContact CD2-CD2 3.7Å; L127-F391 HydrophobicContact CD2-CE1 3.33Å; L127-F391 HydrophobicContact CD2-CE2 3.64Å; L127-F391 HydrophobicContact CD2-CG 3.6Å; L127-F391 HydrophobicContact CD2-CZ 3.47Å; L127-F391 VanDerWaalsContact CD2-CZ 3.47Å |
| 128 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | V33 L35 A44 G124 V125 K131 A132 | V33-A128 HydrophobicContact CG1-CB 4.24Å; L35-A128 HydrophobicContact CB-CB 3.86Å; A44-A128 HydrophobicContact CB-CB 4.15Å; G124-A128 WeakPolarHBondContact O-CB 3.11Å; G124-A128 PolarHBondContact O-N 2.99Å; G124-A128 VanDerWaalsContact O-N 3.17Å; V125-A128 PolarHBondContact O-N 3.38Å; A128-K131 PolarHBondContact O-N 2.92Å; A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.02Å |
| 129 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -47 | 171.4 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | I14 L35 I101 V125 L127 K131 A132 G133 | I14-V129 HydrophobicContact CD1-CG2 4.46Å; L35-V129 HydrophobicContact CD1-CB 4.39Å; L35-V129 HydrophobicContact CD1-CG2 3.45Å; L35-V129 VanDerWaalsContact CD1-CG2 3.45Å; I101-V129 HydrophobicContact CB-CG1 4.42Å; I101-V129 HydrophobicContact CD1-CG1 3.54Å; I101-V129 HydrophobicContact CD1-CG2 4.47Å; I101-V129 HydrophobicContact CG2-CG1 4.23Å; I101-V129 HydrophobicContact CG2-CG2 3.99Å; V125-V129 HydrophobicContact CG1-CG2 4.14Å; V125-V129 WeakPolarHBondContact O-CB 3.33Å; V125-V129 VanDerWaalsContact O-CG2 3.22Å; V125-V129 WeakPolarHBondContact O-CG2 3.49Å; V125-V129 PolarHBondContact O-N 2.86Å; L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 PolarHBondContact O-N 2.92Å; V129-K131 VanDerWaalsContact C-N 3.34Å; V129-K131 PolarHBondContact O-N 3.27Å; V129-A132 CarbonylContact O-C 3.55Å; V129-A132 WeakPolarHBondContact O-CB 3.46Å; V129-A132 PolarHBondContact O-N 2.74Å; V129-A132 VanDerWaalsContact O-N 3.15Å; V129-G133 PolarHBondContact O-N 3.12Å |
| 130 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 179.7 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | Q98 S126 L127 G133 A134 H144 V361 F391 | Q98-C130 VanDerWaalsContact OE1-CB 3.24Å; S126-C130 PolarHBondContact O-N 2.98Å; S126-C130 VanDerWaalsContact O-N 3.07Å; L127-C130 WeakPolarHBondContact O-CB 3.35Å; L127-C130 PolarHBondContact O-N 3.3Å; C130-G133 PolarHBondContact O-N 2.93Å; C130-A134 PolarHBondContact O-N 2.68Å; C130-H144 PolarHBondContact O-CD2 3.46Å; C130-H144 VanDerWaalsContact O-CD2 3.28Å; C130-V361 HydrophobicContact CB-CG2 4.36Å; C130-F391 HydrophobicContact CB-CE2 3.95Å; C130-F391 HydrophobicContact CB-CZ 4.29Å |
| 131 | K | 98.9 | Very high | 98.6 | Very high | 38 Ų | 38 | 18.2 Ų | 18.2 | 17% | 0.165 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 173.2 | -72.3 | 174.9 | 177.5 | 178.7 | 0 | 112.1 | F42 R43 A44 L127 A128 V129 G133 A134 A135 L141 D389 | F42-K131 HydrophobicContact CB-CB 4.13Å; F42-K131 HydrophobicContact CD1-CB 4.27Å; R43-K131 WeakPolarHBondContact O-CD 3.33Å; R43-K131 WeakPolarHBondContact O-CE 3.44Å; R43-K131 PolarHBondContact O-NZ 3.04Å; A44-K131 HydrophobicContact CB-CD 4.4Å; L127-K131 WeakPolarHBondContact O-CG 2.95Å; L127-K131 PolarHBondContact O-N 3.38Å; A128-K131 PolarHBondContact O-N 2.92Å; V129-K131 VanDerWaalsContact C-N 3.34Å; V129-K131 PolarHBondContact O-N 3.27Å; K131-G133 VanDerWaalsContact C-N 3.34Å; K131-A134 PolarHBondContact O-N 3.02Å; K131-A135 PolarHBondContact O-N 3.22Å; K131-L141 HydrophobicContact CG-CD1 4.37Å; K131-L141 HydrophobicContact CG-CD2 4Å; K131-D389 IonicContact NZ-OD1 3.67Å; K131-D389 PolarHBondContact NZ-OD1 2.87Å; K131-D389 IonicContact NZ-OD2 3.43Å; K131-D389 PolarHBondContact NZ-OD2 3.25Å |
| 132 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L35 T37 F42 V95 A128 V129 A134 A135 E136 | L35-A132 HydrophobicContact CD2-CB 3.78Å; T37-A132 HydrophobicContact CG2-CB 4.11Å; F42-A132 HydrophobicContact CB-CB 4.17Å; F42-A132 HydrophobicContact CD1-CB 4.29Å; F42-A132 HydrophobicContact CD2-CB 3.38Å; F42-A132 HydrophobicContact CE2-CB 3.82Å; F42-A132 HydrophobicContact CG-CB 3.64Å; F42-A132 HydrophobicContact CZ-CB 4.44Å; V95-A132 HydrophobicContact CB-CB 3.97Å; V95-A132 HydrophobicContact CG1-CB 3.97Å; V95-A132 HydrophobicContact CG2-CB 4.06Å; A128-A132 WeakPolarHBondContact O-CB 3.31Å; A128-A132 PolarHBondContact O-N 3.02Å; V129-A132 CarbonylContact O-C 3.55Å; V129-A132 WeakPolarHBondContact O-CB 3.46Å; V129-A132 PolarHBondContact O-N 2.74Å; V129-A132 VanDerWaalsContact O-N 3.15Å; A132-A134 VanDerWaalsContact C-N 3.33Å; A132-A134 PolarHBondContact O-N 3.17Å; A132-A135 PolarHBondContact O-N 3.42Å; A132-E136 WeakPolarHBondContact O-CB 3.49Å; A132-E136 PolarHBondContact O-N 2.88Å |
| 133 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | V129 C130 K131 K137 | V129-G133 PolarHBondContact O-N 3.12Å; C130-G133 PolarHBondContact O-N 2.93Å; K131-G133 VanDerWaalsContact C-N 3.34Å; G133-K137 PolarHBondContact O-N 3.39Å; G133-K137 VanDerWaalsContact O-N 3.16Å |
| 134 | A | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C130 K131 A132 E136 K137 G138 V139 L141 H144 | C130-A134 PolarHBondContact O-N 2.68Å; K131-A134 PolarHBondContact O-N 3.02Å; A132-A134 VanDerWaalsContact C-N 3.33Å; A132-A134 PolarHBondContact O-N 3.17Å; A134-E136 VanDerWaalsContact C-N 3.35Å; A134-E136 PolarHBondContact O-N 2.89Å; A134-K137 CarbonylContact O-C 3.5Å; A134-K137 PolarHBondContact O-N 3.41Å; A134-G138 PolarHBondContact O-N 3.03Å; A134-V139 CarbonylContact C-O 3.54Å; A134-V139 PolarHBondContact O-N 3.39Å; A134-V139 VanDerWaalsContact O-N 3.09Å; A134-L141 HydrophobicContact CB-CB 4.36Å; A134-L141 HydrophobicContact CB-CD1 4.16Å; A134-H144 HydrophobicContact CB-CB 3.52Å |
| 135 | A | 98.4 | Very high | 98.6 | Very high | 33 Ų | 33 | 21.5 Ų | 21.5 | 27% | 0.273 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -67.4 | -32.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F42 K131 A132 K137 G138 | F42-A135 HydrophobicContact CD1-CB 4.38Å; F42-A135 HydrophobicContact CE1-CB 3.24Å; F42-A135 HydrophobicContact CZ-CB 3.38Å; K131-A135 PolarHBondContact O-N 3.22Å; A132-A135 PolarHBondContact O-N 3.42Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-G138 PolarHBondContact O-N 3.39Å; A135-G138 VanDerWaalsContact O-N 3.14Å |
| 136 | E | 97.7 | Very high | 98.6 | Very high | 46 Ų | 46 | 21.5 Ų | 21.5 | 22% | 0.215 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 172.9 | -175.2 | 64 | -170.9 | 0 | 0 | 111.2 | M12 V95 V96 A132 A134 G138 | M12-E136 WeakPolarHBondContact CB-OE1 3.36Å; M12-E136 WeakPolarHBondContact CE-OE2 3.42Å; M12-E136 WeakPolarHBondContact CG-OE1 2.99Å; V95-E136 HydrophobicContact CG2-CB 3.85Å; V95-E136 HydrophobicContact CG2-CG 4.19Å; V96-E136 HydrophobicContact CG1-CB 3.87Å; V96-E136 HydrophobicContact CG1-CG 3.73Å; A132-E136 WeakPolarHBondContact O-CB 3.49Å; A132-E136 PolarHBondContact O-N 2.88Å; A134-E136 VanDerWaalsContact C-N 3.35Å; A134-E136 PolarHBondContact O-N 2.89Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 3.47Å |
| 137 | K | 97.5 | Very high | 98.6 | Very high | 84 Ų | 84 | 24.9 Ų | 24.9 | 37% | 0.365 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -74.4 | -13.8 | 174.1 | -72.1 | -170.7 | -175.7 | 175.6 | 0 | 113.7 | V96 G133 A134 A135 V139 H144 D147 | V96-K137 HydrophobicContact CG1-CG 3.95Å; G133-K137 PolarHBondContact O-N 3.39Å; G133-K137 VanDerWaalsContact O-N 3.16Å; A134-K137 CarbonylContact O-C 3.5Å; A134-K137 PolarHBondContact O-N 3.41Å; A135-K137 VanDerWaalsContact C-N 3.33Å; K137-V139 VanDerWaalsContact C-N 3.35Å; K137-V139 HydrophobicContact CB-CG1 4.48Å; K137-V139 HydrophobicContact CB-CG2 3.88Å; K137-V139 HydrophobicContact CD-CG2 4.45Å; K137-H144 WeakPolarHBondContact CD-ND1 3.14Å; K137-H144 WeakPolarHBondContact CE-ND1 3.36Å; K137-H144 PolarHBondContact NZ-ND1 3.03Å; K137-D147 IonicContact NZ-OD2 3.67Å; K137-D147 PolarHBondContact NZ-OD2 2.7Å |
| 138 | G | 97.8 | Very high | 98.6 | Very high | 67 Ų | 67 | 26.9 Ų | 26.9 | 69% | 0.691 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 33.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | A134 A135 E136 | A134-G138 PolarHBondContact O-N 3.03Å; A135-G138 PolarHBondContact O-N 3.39Å; A135-G138 VanDerWaalsContact O-N 3.14Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 3.47Å |
| 139 | V | 98.6 | Very high | 98.5 | Very high | 46 Ų | 46 | 27.2 Ų | 27.2 | 28% | 0.279 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -124.6 | 157.7 | 179.1 | -59.5 | 0 | 0 | 0 | 0 | 111 | A134 K137 R143 H144 | A134-V139 CarbonylContact C-O 3.54Å; A134-V139 PolarHBondContact O-N 3.39Å; A134-V139 VanDerWaalsContact O-N 3.09Å; K137-V139 VanDerWaalsContact C-N 3.35Å; K137-V139 HydrophobicContact CB-CG1 4.48Å; K137-V139 HydrophobicContact CB-CG2 3.88Å; K137-V139 HydrophobicContact CD-CG2 4.45Å; V139-R143 HydrophobicContact CB-CB 4.17Å; V139-R143 HydrophobicContact CB-CG 4.03Å; V139-R143 HydrophobicContact CG1-CG 4.37Å; V139-R143 HydrophobicContact CG2-CB 4.29Å; V139-R143 HydrophobicContact CG2-CG 4.29Å; V139-H144 HydrophobicContact CG2-CB 4Å |
| 140 | P | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 30 Ų | 30 | 25% | 0.247 | 19% | 0.187 | C | C | . | . | trans | -58.5 | 156 | 170.3 | -25.1 | 36.1 | 0 | 0 | 0 | 112.4 | Y142 R143 H144 E427 | P140-Y142 HydrophobicContact CB-CD1 3.64Å; P140-Y142 HydrophobicContact CB-CE1 3.25Å; P140-Y142 HydrophobicContact CB-CG 4.44Å; P140-Y142 HydrophobicContact CG-CE1 3.87Å; P140-Y142 PolarHBondContact O-N 3.45Å; P140-R143 WeakPolarHBondContact O-CB 3.04Å; P140-R143 PolarHBondContact O-N 3.16Å; P140-R143 VanDerWaalsContact O-N 3.12Å; P140-H144 PolarHBondContact O-N 3.11Å; P140-E427 WeakPolarHBondContact CG-OE1 3.18Å | ||
| 141 | L | 98.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.12 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | -176.1 | 175.1 | 63.7 | 0 | 0 | 0 | 112 | K131 A134 R143 H144 I145 F391 D394 | K131-L141 HydrophobicContact CG-CD1 4.37Å; K131-L141 HydrophobicContact CG-CD2 4Å; A134-L141 HydrophobicContact CB-CB 4.36Å; A134-L141 HydrophobicContact CB-CD1 4.16Å; L141-R143 PolarHBondContact O-N 2.77Å; L141-H144 WeakPolarHBondContact O-CB 3.35Å; L141-H144 PolarHBondContact O-N 3.16Å; L141-H144 VanDerWaalsContact O-N 3.08Å; L141-I145 HydrophobicContact CD1-CD1 3.96Å; L141-I145 HydrophobicContact CD1-CG1 4.08Å; L141-I145 HydrophobicContact CD2-CD1 4.48Å; L141-I145 HydrophobicContact CG-CD1 3.85Å; L141-I145 HydrophobicContact CG-CG1 4.38Å; L141-I145 WeakPolarHBondContact O-CG1 3.25Å; L141-I145 PolarHBondContact O-N 3.22Å; L141-F391 HydrophobicContact CD1-CE2 4.28Å; L141-F391 HydrophobicContact CD2-CD2 3.78Å; L141-F391 HydrophobicContact CD2-CE2 4.08Å; L141-D394 HydrophobicContact CB-CB 4.01Å; L141-D394 WeakPolarHBondContact CB-OD1 3.2Å; L141-D394 HydrophobicContact CD2-CB 3.72Å; L141-D394 HydrophobicContact CG-CB 3.69Å |
| 142 | Y | 98.9 | Very high | 98.2 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.1 | -35.4 | 176.3 | 67.9 | -97.2 | 0 | 0 | 0 | 112.7 | P140 A146 V154 D394 V397 G398 I424 E427 L428 | P140-Y142 HydrophobicContact CB-CD1 3.64Å; P140-Y142 HydrophobicContact CB-CE1 3.25Å; P140-Y142 HydrophobicContact CB-CG 4.44Å; P140-Y142 HydrophobicContact CG-CE1 3.87Å; P140-Y142 PolarHBondContact O-N 3.45Å; Y142-A146 WeakPolarHBondContact O-CB 3.44Å; Y142-A146 PolarHBondContact O-N 2.99Å; Y142-V154 HydrophobicContact CD2-CG1 4.35Å; Y142-V154 HydrophobicContact CD2-CG2 4.47Å; Y142-V154 HydrophobicContact CE2-CG2 4.42Å; Y142-D394 WeakPolarHBondContact CA-O 3.42Å; Y142-D394 WeakPolarHBondContact CB-O 3.5Å; Y142-D394 PolarHBondContact N-OD1 3.31Å; Y142-V397 HydrophobicContact CD2-CG1 4.01Å; Y142-V397 HydrophobicContact CG-CG1 4.14Å; Y142-G398 VanDerWaalsContact O-CA 3.28Å; Y142-G398 WeakPolarHBondContact O-CA 3.35Å; Y142-I424 HydrophobicContact CD1-CB 4.44Å; Y142-I424 HydrophobicContact CD1-CD1 4.16Å; Y142-I424 HydrophobicContact CD1-CG1 3.85Å; Y142-I424 HydrophobicContact CD1-CG2 3.82Å; Y142-I424 HydrophobicContact CE1-CG1 4.21Å; Y142-I424 HydrophobicContact CE1-CG2 3.89Å; Y142-I424 HydrophobicContact CG-CG2 4.17Å; Y142-E427 WeakPolarHBondContact CE1-OE2 3.19Å; Y142-L428 HydrophobicContact CE2-CD2 3.93Å; Y142-L428 HydrophobicContact CE2-CG 4.49Å |
| 143 | R | 98.8 | Very high | 98 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.4 | -41.5 | 178 | -175.8 | 60 | -93.5 | 168.1 | -9.1 | 111.2 | V139 P140 L141 I145 A146 D147 H151 K152 | V139-R143 HydrophobicContact CB-CB 4.17Å; V139-R143 HydrophobicContact CB-CG 4.03Å; V139-R143 HydrophobicContact CG1-CG 4.37Å; V139-R143 HydrophobicContact CG2-CB 4.29Å; V139-R143 HydrophobicContact CG2-CG 4.29Å; P140-R143 WeakPolarHBondContact O-CB 3.04Å; P140-R143 PolarHBondContact O-N 3.16Å; P140-R143 VanDerWaalsContact O-N 3.12Å; L141-R143 PolarHBondContact O-N 2.77Å; R143-I145 VanDerWaalsContact C-N 3.34Å; R143-A146 VanDerWaalsContact CZ-CB 3.41Å; R143-A146 PolarHBondContact O-N 3.09Å; R143-D147 IonicContact CZ-OD1 3.37Å; R143-D147 IonicContact NE-OD1 3.09Å; R143-D147 PolarHBondContact NE-OD1 3.47Å; R143-D147 VanDerWaalsContact NE-OD1 3.09Å; R143-D147 IonicContact NH2-OD1 2.77Å; R143-D147 PolarHBondContact NH2-OD1 3.13Å; R143-D147 VanDerWaalsContact O-CG 3.3Å; R143-D147 PolarHBondContact O-N 2.96Å; R143-H151 PolarHBondContact NH2-O 2.8Å; R143-K152 PolarHBondContact NH1-O 2.9Å |
| 144 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 173.6 | -178.7 | 68 | 0 | 0 | 0 | 111.8 | C130 A134 K137 V139 P140 L141 D147 L148 | C130-H144 PolarHBondContact O-CD2 3.46Å; C130-H144 VanDerWaalsContact O-CD2 3.28Å; A134-H144 HydrophobicContact CB-CB 3.52Å; K137-H144 WeakPolarHBondContact CD-ND1 3.14Å; K137-H144 WeakPolarHBondContact CE-ND1 3.36Å; K137-H144 PolarHBondContact NZ-ND1 3.03Å; V139-H144 HydrophobicContact CG2-CB 4Å; P140-H144 PolarHBondContact O-N 3.11Å; L141-H144 WeakPolarHBondContact O-CB 3.35Å; L141-H144 PolarHBondContact O-N 3.16Å; L141-H144 VanDerWaalsContact O-N 3.08Å; H144-D147 WeakPolarHBondContact O-CB 3.5Å; H144-D147 PolarHBondContact O-N 3.08Å; H144-L148 WeakPolarHBondContact O-CG 3.27Å; H144-L148 PolarHBondContact O-N 2.96Å; H144-L148 VanDerWaalsContact O-N 3.09Å |
| 145 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 176 | -67.6 | 172.2 | 0 | 0 | 0 | 110.7 | L141 R143 D147 L148 A149 F391 D394 L395 L399 | L141-I145 HydrophobicContact CD1-CD1 3.96Å; L141-I145 HydrophobicContact CD1-CG1 4.08Å; L141-I145 HydrophobicContact CD2-CD1 4.48Å; L141-I145 HydrophobicContact CG-CD1 3.85Å; L141-I145 HydrophobicContact CG-CG1 4.38Å; L141-I145 WeakPolarHBondContact O-CG1 3.25Å; L141-I145 PolarHBondContact O-N 3.22Å; R143-I145 VanDerWaalsContact C-N 3.34Å; I145-D147 VanDerWaalsContact C-N 3.28Å; I145-D147 PolarHBondContact O-N 2.87Å; I145-L148 WeakPolarHBondContact O-CB 3.27Å; I145-L148 PolarHBondContact O-N 2.69Å; I145-L148 VanDerWaalsContact O-N 3.12Å; I145-A149 WeakPolarHBondContact O-CB 3.49Å; I145-A149 PolarHBondContact O-N 2.9Å; I145-F391 HydrophobicContact CD1-CE1 4.34Å; I145-F391 HydrophobicContact CD1-CE2 4.23Å; I145-F391 HydrophobicContact CD1-CZ 3.9Å; I145-D394 HydrophobicContact CD1-CB 4.22Å; I145-L395 HydrophobicContact CD1-CB 4.3Å; I145-L395 HydrophobicContact CD1-CD1 4.25Å; I145-L395 HydrophobicContact CG2-CD1 3.93Å; I145-L399 HydrophobicContact CG2-CD2 4.49Å; I145-L399 HydrophobicContact CG2-CG 4.4Å |
| 146 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y142 R143 A149 G150 H151 V154 G398 | Y142-A146 WeakPolarHBondContact O-CB 3.44Å; Y142-A146 PolarHBondContact O-N 2.99Å; R143-A146 VanDerWaalsContact CZ-CB 3.41Å; R143-A146 PolarHBondContact O-N 3.09Å; A146-A149 CarbonylContact O-C 3.57Å; A146-A149 PolarHBondContact O-N 2.8Å; A146-G150 PolarHBondContact O-N 3.24Å; A146-H151 HydrophobicContact CB-CB 4.32Å; A146-H151 PolarHBondContact O-N 2.96Å; A146-V154 HydrophobicContact CB-CG1 3.83Å; A146-G398 VanDerWaalsContact CA-O 3.28Å; A146-G398 WeakPolarHBondContact CA-O 3.4Å; A146-G398 WeakPolarHBondContact CB-O 3.38Å |
| 147 | D | 98.4 | Very high | 98.1 | Very high | 70 Ų | 70 | 38.8 Ų | 38.8 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 173.9 | -62.6 | -10.1 | 0 | 0 | 0 | 112.3 | K137 R143 H144 I145 A149 G150 | K137-D147 IonicContact NZ-OD2 3.67Å; K137-D147 PolarHBondContact NZ-OD2 2.7Å; R143-D147 IonicContact CZ-OD1 3.37Å; R143-D147 IonicContact NE-OD1 3.09Å; R143-D147 PolarHBondContact NE-OD1 3.47Å; R143-D147 VanDerWaalsContact NE-OD1 3.09Å; R143-D147 IonicContact NH2-OD1 2.77Å; R143-D147 PolarHBondContact NH2-OD1 3.13Å; R143-D147 VanDerWaalsContact O-CG 3.3Å; R143-D147 PolarHBondContact O-N 2.96Å; H144-D147 WeakPolarHBondContact O-CB 3.5Å; H144-D147 PolarHBondContact O-N 3.08Å; I145-D147 VanDerWaalsContact C-N 3.28Å; I145-D147 PolarHBondContact O-N 2.87Å; D147-A149 VanDerWaalsContact C-N 3.27Å; D147-A149 PolarHBondContact O-N 2.85Å; D147-G150 PolarHBondContact O-N 2.9Å; D147-G150 VanDerWaalsContact O-N 3.13Å |
| 148 | L | 98.6 | Very high | 98.1 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | 177.2 | -67.2 | 173.4 | 0 | 0 | 0 | 111.3 | Q98 H144 I145 G150 I365 | Q98-L148 HydrophobicContact CB-CD1 3.94Å; Q98-L148 HydrophobicContact CB-CD2 3.89Å; Q98-L148 HydrophobicContact CG-CD1 4.05Å; H144-L148 WeakPolarHBondContact O-CG 3.27Å; H144-L148 PolarHBondContact O-N 2.96Å; H144-L148 VanDerWaalsContact O-N 3.09Å; I145-L148 WeakPolarHBondContact O-CB 3.27Å; I145-L148 PolarHBondContact O-N 2.69Å; I145-L148 VanDerWaalsContact O-N 3.12Å; L148-G150 VanDerWaalsContact C-N 3.32Å; L148-I365 HydrophobicContact CB-CD1 3.81Å; L148-I365 HydrophobicContact CD1-CD1 4.3Å |
| 149 | A | 98 | Very high | 98.2 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 5% | 0.05 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.9 | -16.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I145 A146 D147 H151 I365 K369 L399 | I145-A149 WeakPolarHBondContact O-CB 3.49Å; I145-A149 PolarHBondContact O-N 2.9Å; A146-A149 CarbonylContact O-C 3.57Å; A146-A149 PolarHBondContact O-N 2.8Å; D147-A149 VanDerWaalsContact C-N 3.27Å; D147-A149 PolarHBondContact O-N 2.85Å; A149-H151 VanDerWaalsContact CB-CD2 3.41Å; A149-H151 WeakPolarHBondContact CB-CD2 3.42Å; A149-I365 HydrophobicContact CB-CG2 4.14Å; A149-K369 WeakPolarHBondContact O-CE 3.35Å; A149-K369 PolarHBondContact O-NZ 2.78Å; A149-L399 HydrophobicContact CB-CD2 3.88Å |
| 150 | G | 97.2 | Very high | 98.2 | Very high | 59 Ų | 59 | 29.4 Ų | 29.4 | 61% | 0.608 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81 | 19.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A146 D147 L148 | A146-G150 PolarHBondContact O-N 3.24Å; D147-G150 PolarHBondContact O-N 2.9Å; D147-G150 VanDerWaalsContact O-N 3.13Å; L148-G150 VanDerWaalsContact C-N 3.32Å |
| 151 | H | 96.3 | Very high | 98.2 | Very high | 36 Ų | 36 | 27.6 Ų | 27.6 | 17% | 0.167 | 15% | 0.147 | C | C | . | . | trans | -87 | 134.5 | 175.2 | -62.8 | -60.8 | 0 | 0 | 0 | 110.7 | R143 A146 A149 G398 L399 | R143-H151 PolarHBondContact NH2-O 2.8Å; A146-H151 HydrophobicContact CB-CB 4.32Å; A146-H151 PolarHBondContact O-N 2.96Å; A149-H151 VanDerWaalsContact CB-CD2 3.41Å; A149-H151 WeakPolarHBondContact CB-CD2 3.42Å; H151-G398 PolarHBondContact CD2-O 3.02Å; H151-G398 VanDerWaalsContact CD2-O 3.29Å; H151-L399 PolarHBondContact NE2-O 2.85Å | ||
| 152 | K | 95.1 | Very high | 98.2 | Very high | 186 Ų | 186 | 26.6 Ų | 26.6 | 81% | 0.809 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -84.4 | -46.2 | 176.6 | -68.8 | -178.2 | -179.2 | 176.5 | 0 | 111.6 | R143 | R143-K152 PolarHBondContact NH1-O 2.9Š|
| 153 | D | 95.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 25.8 Ų | 25.8 | 33% | 0.332 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -99.8 | 170.5 | 176.5 | -54 | -69.2 | 0 | 0 | 0 | 110.1 | C400 I444 N445 | D153-C400 PolarHBondContact O-SG 3.19Å; D153-I444 HydrophobicContact CB-CG2 3.75Å; D153-N445 PolarHBondContact OD2-ND2 2.94Å; D153-N445 PolarHBondContact OD2-OD1 3.03Å |
| 154 | V | 97.9 | Very high | 98.1 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 10% | 0.097 | 13% | 0.129 | C | C | . | . | trans | -131.2 | 161.4 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | Y142 A146 V397 L428 | Y142-V154 HydrophobicContact CD2-CG1 4.35Å; Y142-V154 HydrophobicContact CD2-CG2 4.47Å; Y142-V154 HydrophobicContact CE2-CG2 4.42Å; A146-V154 HydrophobicContact CB-CG1 3.83Å; V154-V397 HydrophobicContact CB-CG1 3.75Å; V154-V397 HydrophobicContact CG1-CG1 4.3Å; V154-V397 HydrophobicContact CG2-CG1 4.04Å; V154-L428 HydrophobicContact CG2-CD1 3.83Å; V154-L428 HydrophobicContact CG2-CD2 3.75Å; V154-L428 HydrophobicContact CG2-CG 4.48Å | ||
| 155 | I | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | trans | -141.1 | 138.9 | -179.2 | -169.4 | 144.5 | 0 | 0 | 0 | 110.8 | C400 K433 A435 P442 I444 | I155-C400 VanDerWaalsContact CG2-CA 3.49Å; I155-C400 HydrophobicContact CG2-CB 3.7Å; I155-K433 HydrophobicContact CD1-CB 4.28Å; I155-K433 HydrophobicContact CG1-CB 4.32Å; I155-A435 HydrophobicContact CD1-CB 4.33Å; I155-A435 HydrophobicContact CG1-CB 4.19Å; I155-P442 HydrophobicContact CD1-CB 3.5Å; I155-P442 VanDerWaalsContact CD1-CB 3.5Å; I155-P442 HydrophobicContact CG1-CB 4.22Å; I155-P442 HydrophobicContact CG2-CB 4.11Å; I155-I444 HydrophobicContact CG2-CG1 4.39Å | ||
| 156 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 139.9 | 173.4 | -73.5 | 162.5 | 0 | 0 | 0 | 110.5 | F189 V397 L421 I424 E425 A432 K433 F434 A435 | L156-F189 HydrophobicContact CB-CB 4.32Å; L156-F189 HydrophobicContact CD1-CB 4.01Å; L156-F189 HydrophobicContact CD2-CB 4.5Å; L156-V397 HydrophobicContact CD2-CG2 3.99Å; L156-L421 HydrophobicContact CD2-CD2 4.39Å; L156-I424 HydrophobicContact CD2-CG2 4.37Å; L156-E425 HydrophobicContact CD1-CB 3.45Å; L156-E425 VanDerWaalsContact CD1-CB 3.45Å; L156-E425 HydrophobicContact CD1-CG 3.48Å; L156-E425 VanDerWaalsContact CD1-CG 3.48Å; L156-E425 WeakPolarHBondContact CD1-OE1 2.92Å; L156-E425 HydrophobicContact CD2-CB 4.26Å; L156-E425 HydrophobicContact CG-CB 4.49Å; L156-A432 HydrophobicContact CD1-CB 4.03Å; L156-K433 WeakPolarHBondContact CB-O 3.45Å; L156-K433 PolarHBondContact N-O 2.87Å; L156-F434 HydrophobicContact CB-CD2 4.25Å; L156-A435 WeakPolarHBondContact O-CB 3.37Å; L156-A435 PolarHBondContact O-N 2.62Å |
| 157 | P | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 155.7 | -175.3 | 36.4 | -38.8 | 0 | 0 | 0 | 112.6 | P159 F189 V396 G402 I404 L421 F434 | P157-P159 WeakPolarHBondContact O-CD 3.43Å; P157-F189 HydrophobicContact CG-CE2 4.29Å; P157-F189 VanDerWaalsContact O-CD2 3.25Å; P157-F189 WeakPolarHBondContact O-CD2 3.27Å; P157-V396 HydrophobicContact CB-CG1 4.33Å; P157-V396 HydrophobicContact CB-CG2 3.7Å; P157-V396 HydrophobicContact CG-CG1 3.72Å; P157-V396 HydrophobicContact CG-CG2 4.05Å; P157-G402 CarbonylContact C-O 3.56Å; P157-G402 VanDerWaalsContact CA-C 3.4Å; P157-G402 VanDerWaalsContact CA-O 3.31Å; P157-G402 WeakPolarHBondContact CA-O 3.35Å; P157-I404 HydrophobicContact CB-CB 4.24Å; P157-I404 HydrophobicContact CB-CG2 3.84Å; P157-I404 HydrophobicContact CG-CB 4.23Å; P157-I404 HydrophobicContact CG-CG2 3.53Å; P157-L421 HydrophobicContact CG-CD1 4Å; P157-L421 HydrophobicContact CG-CD2 4.01Å; P157-F434 WeakPolarHBondContact O-CE2 3.42Å |
| 158 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.1 | 157.6 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | L182 V184 G402 Q403 I404 F434 A435 G436 F439 | V158-L182 HydrophobicContact CG1-CB 3.99Å; V158-V184 HydrophobicContact CG1-CG1 3.96Å; V158-V184 HydrophobicContact CG2-CG1 4.33Å; V158-G402 PolarHBondContact N-O 3.24Å; V158-Q403 WeakPolarHBondContact O-CA 3.48Å; V158-I404 PolarHBondContact O-N 2.86Å; V158-I404 VanDerWaalsContact O-N 3.09Å; V158-F434 HydrophobicContact CB-CZ 4.4Å; V158-F434 HydrophobicContact CG2-CE1 4.3Å; V158-F434 HydrophobicContact CG2-CE2 4.18Å; V158-F434 HydrophobicContact CG2-CZ 3.74Å; V158-A435 HydrophobicContact CG2-CB 4.43Å; V158-G436 VanDerWaalsContact CG2-O 3.27Å; V158-G436 WeakPolarHBondContact CG2-O 3.3Å; V158-F439 HydrophobicContact CB-CB 4.07Å; V158-F439 HydrophobicContact CG2-CB 3.7Å |
| 159 | P | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 131.8 | 173.5 | 30.7 | -33.4 | 0 | 0 | 0 | 111.2 | P157 F161 P183 F189 A192 I404 Y418 | P157-P159 WeakPolarHBondContact O-CD 3.43Å; P159-F161 HydrophobicContact CB-CD1 4.44Å; P159-F161 HydrophobicContact CB-CD2 4.38Å; P159-F161 HydrophobicContact CB-CE1 3.81Å; P159-F161 HydrophobicContact CB-CE2 3.77Å; P159-F161 HydrophobicContact CB-CZ 3.44Å; P159-F161 VanDerWaalsContact CB-CZ 3.44Å; P159-F161 HydrophobicContact CG-CD2 4.38Å; P159-F161 HydrophobicContact CG-CE1 4.2Å; P159-F161 HydrophobicContact CG-CE2 3.44Å; P159-F161 VanDerWaalsContact CG-CE2 3.44Å; P159-F161 HydrophobicContact CG-CZ 3.32Å; P159-P183 HydrophobicContact CG-CG 4.08Å; P159-P183 VanDerWaalsContact O-CD 3.27Å; P159-P183 WeakPolarHBondContact O-CD 3.24Å; P159-F189 HydrophobicContact CB-CE2 4.19Å; P159-F189 HydrophobicContact CG-CE2 4.06Å; P159-A192 HydrophobicContact CG-CB 3.97Å; P159-I404 CarbonylContact C-O 3.59Å; P159-I404 WeakPolarHBondContact CA-O 3.11Å; P159-Y418 HydrophobicContact CB-CD1 4.24Å; P159-Y418 HydrophobicContact CB-CE1 3.63Å |
| 160 | A | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 102.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | M180 L182 M379 I404 K405 Y418 | A160-M180 HydrophobicContact CB-CB 4.46Å; A160-M180 HydrophobicContact CB-SD 3.81Å; A160-L182 HydrophobicContact CB-CD1 3.98Å; A160-L182 HydrophobicContact CB-CD2 4.04Å; A160-L182 HydrophobicContact CB-CG 3.72Å; A160-M379 HydrophobicContact CB-CE 4.49Å; A160-M379 HydrophobicContact CB-SD 4.45Å; A160-I404 PolarHBondContact N-O 3.21Å; A160-K405 HydrophobicContact CB-CB 3.98Å; A160-Y418 PolarHBondContact O-OH 2.65Å |
| 161 | F | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 113 | -175.9 | -58.2 | -73.8 | 0 | 0 | 0 | 110.6 | P159 V163 M180 I181 P183 M193 G407 P409 Y418 | P159-F161 HydrophobicContact CB-CD1 4.44Å; P159-F161 HydrophobicContact CB-CD2 4.38Å; P159-F161 HydrophobicContact CB-CE1 3.81Å; P159-F161 HydrophobicContact CB-CE2 3.77Å; P159-F161 HydrophobicContact CB-CZ 3.44Å; P159-F161 VanDerWaalsContact CB-CZ 3.44Å; P159-F161 HydrophobicContact CG-CD2 4.38Å; P159-F161 HydrophobicContact CG-CE1 4.2Å; P159-F161 HydrophobicContact CG-CE2 3.44Å; P159-F161 VanDerWaalsContact CG-CE2 3.44Å; P159-F161 HydrophobicContact CG-CZ 3.32Å; F161-V163 HydrophobicContact CB-CG1 3.95Å; F161-V163 WeakPolarHBondContact O-CG1 3.25Å; F161-V163 PolarHBondContact O-N 3.17Å; F161-V163 VanDerWaalsContact O-N 3.16Å; F161-M180 CarbonylContact O-C 3.58Å; F161-M180 WeakPolarHBondContact O-CA 3.13Å; F161-I181 HydrophobicContact CB-CG1 3.92Å; F161-I181 HydrophobicContact CD2-CG1 4.12Å; F161-I181 PolarHBondContact N-O 3.03Å; F161-I181 PolarHBondContact O-N 3.32Å; F161-P183 HydrophobicContact CE2-CG 4.06Å; F161-M193 HydrophobicContact CE1-CE 3.78Å; F161-M193 HydrophobicContact CE1-SD 3.61Å; F161-M193 HydrophobicContact CZ-CE 3.99Å; F161-M193 HydrophobicContact CZ-SD 3.46Å; F161-M193 WeakPolarHBondContact CZ-SD 3.42Å; F161-G407 WeakPolarHBondContact CA-O 3.11Å; F161-P409 HydrophobicContact CD1-CB 4.44Å; F161-P409 HydrophobicContact CD1-CG 4.44Å; F161-P409 HydrophobicContact CE1-CB 4.49Å; F161-Y418 HydrophobicContact CD1-CE1 4.07Å; F161-Y418 AromaticContact CD1-CE2 3.74Å; F161-Y418 HydrophobicContact CD1-CE2 3.74Å; F161-Y418 AromaticContact CD1-CZ 3.47Å; F161-Y418 VanDerWaalsContact CD1-CZ 3.47Å; F161-Y418 WeakPolarHBondContact CD1-OH 3.34Å; F161-Y418 HydrophobicContact CE1-CD1 4.02Å; F161-Y418 HydrophobicContact CE1-CD2 4.12Å; F161-Y418 AromaticContact CE1-CE1 3.62Å; F161-Y418 HydrophobicContact CE1-CE1 3.62Å; F161-Y418 AromaticContact CE1-CE2 3.73Å; F161-Y418 HydrophobicContact CE1-CE2 3.73Å; F161-Y418 HydrophobicContact CE1-CG 4.26Å; F161-Y418 AromaticContact CE1-CZ 3.46Å; F161-Y418 VanDerWaalsContact CE1-CZ 3.46Å; F161-Y418 HydrophobicContact CZ-CE1 4.45Å |
| 162 | N | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 106.2 | 170.5 | -176.7 | 12.3 | 0 | 0 | 0 | 110.1 | I164 N165 E178 M180 E221 A408 | N162-I164 PolarHBondContact OD1-O 3.09Å; N162-I164 VanDerWaalsContact OD1-O 3.1Å; N162-N165 PolarHBondContact ND2-ND2 3.36Å; N162-N165 PolarHBondContact ND2-OD1 3.31Å; N162-N165 PolarHBondContact OD1-OD1 2.88Å; N162-E178 HydrophobicContact CB-CB 4.46Å; N162-E178 WeakPolarHBondContact ND2-CG 3.36Å; N162-E178 WeakPolarHBondContact OD1-CB 3.25Å; N162-M180 HydrophobicContact CB-CG 4.16Å; N162-E221 PolarHBondContact ND2-OE2 2.93Å; N162-A408 WeakPolarHBondContact O-CA 3.49Å; N162-A408 WeakPolarHBondContact O-CB 3.17Å; N162-A408 PolarHBondContact O-N 2.79Å |
| 163 | V | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -16.2 | -170.2 | -69.1 | 0 | 0 | 0 | 0 | 113.9 | F161 F179 I181 Y200 L203 G223 F224 L238 | F161-V163 HydrophobicContact CB-CG1 3.95Å; F161-V163 WeakPolarHBondContact O-CG1 3.25Å; F161-V163 PolarHBondContact O-N 3.17Å; F161-V163 VanDerWaalsContact O-N 3.16Å; V163-F179 VanDerWaalsContact CG2-O 3.27Å; V163-F179 WeakPolarHBondContact CG2-O 3.29Å; V163-F179 PolarHBondContact N-O 2.61Å; V163-I181 HydrophobicContact CG1-CD1 4Å; V163-I181 HydrophobicContact CG1-CG1 3.95Å; V163-I181 HydrophobicContact CG2-CG1 4.25Å; V163-I181 HydrophobicContact CG2-CG2 4.03Å; V163-Y200 HydrophobicContact CB-CD2 4.14Å; V163-Y200 HydrophobicContact CG1-CD2 3.79Å; V163-L203 HydrophobicContact CB-CD2 3.8Å; V163-L203 HydrophobicContact CG2-CD2 3.94Å; V163-G223 CarbonylContact O-C 3.57Å; V163-G223 WeakPolarHBondContact O-CA 2.87Å; V163-F224 PolarHBondContact O-N 3.1Å; V163-L238 HydrophobicContact CG2-CD1 4.38Å; V163-L238 HydrophobicContact CG2-CD2 3.45Å; V163-L238 VanDerWaalsContact CG2-CD2 3.45Å |
| 164 | I | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.2 | 166.8 | -56.3 | 175.3 | 0 | 0 | 0 | 108.1 | N162 L174 F179 L203 F224 P226 A234 L237 L238 | N162-I164 PolarHBondContact OD1-O 3.09Å; N162-I164 VanDerWaalsContact OD1-O 3.1Å; I164-L174 HydrophobicContact CG2-CD2 4.01Å; I164-F179 HydrophobicContact CB-CB 4.15Å; I164-F179 HydrophobicContact CB-CD2 4.39Å; I164-F179 HydrophobicContact CG2-CD2 4.42Å; I164-F179 PolarHBondContact N-O 2.81Å; I164-F179 PolarHBondContact O-N 2.91Å; I164-L203 HydrophobicContact CD1-CD1 4.26Å; I164-L203 HydrophobicContact CD1-CD2 4.32Å; I164-L203 HydrophobicContact CG1-CD2 3.82Å; I164-F224 CarbonylContact C-O 3.5Å; I164-F224 WeakPolarHBondContact CA-O 3.32Å; I164-P226 HydrophobicContact CG2-CG 4.12Å; I164-A234 HydrophobicContact CD1-CB 4.13Å; I164-A234 HydrophobicContact CG2-CB 4.45Å; I164-L237 HydrophobicContact CD1-CB 4.15Å; I164-L237 HydrophobicContact CD1-CD1 4.41Å; I164-L238 HydrophobicContact CD1-CD2 3.71Å; I164-L238 HydrophobicContact CD1-CG 3.97Å; I164-L238 HydrophobicContact CG1-CD2 4.01Å |
| 165 | N | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.7 | 179.1 | -68.3 | 50.8 | 0 | 0 | 0 | 110.3 | N162 H169 A170 N172 G223 F224 | N162-N165 PolarHBondContact ND2-ND2 3.36Å; N162-N165 PolarHBondContact ND2-OD1 3.31Å; N162-N165 PolarHBondContact OD1-OD1 2.88Å; N165-H169 HydrophobicContact CB-CB 4.41Å; N165-A170 HydrophobicContact CB-CB 3.99Å; N165-A170 WeakPolarHBondContact O-CB 3.37Å; N165-N172 PolarHBondContact O-ND2 3.29Å; N165-G223 WeakPolarHBondContact OD1-CA 3.27Å; N165-G223 PolarHBondContact OD1-N 3.44Å; N165-F224 PolarHBondContact N-O 2.9Å |
| 166 | G | 93.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -133.2 | -146.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | S168 H169 A170 M176 Q177 | G166-S168 PolarHBondContact O-N 2.72Å; G166-H169 PolarHBondContact O-N 2.97Å; G166-H169 VanDerWaalsContact O-N 3.09Å; G166-A170 PolarHBondContact O-N 2.91Å; G166-M176 CarbonylContact C-O 3.53Å; G166-M176 WeakPolarHBondContact CA-O 3.41Å; G166-Q177 PolarHBondContact N-O 3.02Å | ||
| 167 | G | 93.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 13 Ų | 13 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | 50 | -136.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H169 L174 A175 M176 K273 | G167-H169 VanDerWaalsContact C-N 3.27Å; G167-H169 PolarHBondContact O-N 3.13Å; G167-L174 PolarHBondContact N-O 3.48Å; G167-A175 WeakPolarHBondContact CA-O 3.28Å; G167-A175 PolarHBondContact N-O 2.83Å; G167-M176 PolarHBondContact N-O 3.06Å; G167-K273 WeakPolarHBondContact O-CD 3.49Å; G167-K273 PolarHBondContact O-NZ 3.46Å |
| 168 | S | 89.9 | Confident | 94.5 | Very high | 53 Ų | 53 | 13.2 Ų | 13.2 | 37% | 0.371 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -79.5 | -5.2 | 179 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | G166 E261 | G166-S168 PolarHBondContact O-N 2.72Å; S168-E261 PolarHBondContact OG-OE2 2.65Å |
| 169 | H | 84.1 | Confident | 94.5 | Very high | 10 Ų | 10 | 13.2 Ų | 13.2 | 5% | 0.046 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -92.8 | -5.5 | 179.8 | -67.5 | 173.9 | 0 | 0 | 0 | 113.9 | N165 G166 G167 Q177 E178 E221 S384 | N165-H169 HydrophobicContact CB-CB 4.41Å; G166-H169 PolarHBondContact O-N 2.97Å; G166-H169 VanDerWaalsContact O-N 3.09Å; G167-H169 VanDerWaalsContact C-N 3.27Å; G167-H169 PolarHBondContact O-N 3.13Å; H169-Q177 HydrophobicContact CB-CG 4.33Å; H169-Q177 VanDerWaalsContact CE1-CD 3.45Å; H169-Q177 PolarHBondContact CE1-NE2 3.39Å; H169-Q177 WeakPolarHBondContact ND1-CG 3.23Å; H169-E178 IonicContact CE1-OE1 3.67Å; H169-E178 IonicContact ND1-OE1 3.45Å; H169-E221 IonicContact CE1-OE1 3.63Å; H169-E221 PolarHBondContact CE1-OE1 2.87Å; H169-E221 IonicContact ND1-OE1 3.65Å; H169-S384 WeakPolarHBondContact NE2-CB 3.28Å |
| 170 | A | 85.8 | Confident | 94.5 | Very high | 14 Ų | 14 | 13.3 Ų | 13.3 | 12% | 0.116 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -148.7 | 142.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N165 G166 N172 A225 K273 | N165-A170 HydrophobicContact CB-CB 3.99Å; N165-A170 WeakPolarHBondContact O-CB 3.37Å; G166-A170 PolarHBondContact O-N 2.91Å; A170-N172 PolarHBondContact O-N 3.39Å; A170-N172 VanDerWaalsContact O-N 3.08Å; A170-A225 HydrophobicContact CB-CB 3.77Å; A170-K273 PolarHBondContact O-NZ 3.23Å |
| 171 | G | 85.8 | Confident | 94.5 | Very high | 91 Ų | 91 | 13.3 Ų | 13.3 | 94% | 0.938 | 10% | 0.095 | S | C | * | . | S | Bend | trans | -76.4 | 18.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 172 | N | 90.5 | Very high | 94.5 | Very high | 9 Ų | 9 | 13.3 Ų | 13.3 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -88.1 | -172.9 | 174.6 | 60.6 | 15.3 | 0 | 0 | 0 | 111.2 | N165 A170 P226 K273 | N165-N172 PolarHBondContact O-ND2 3.29Å; A170-N172 PolarHBondContact O-N 3.39Å; A170-N172 VanDerWaalsContact O-N 3.08Å; N172-P226 VanDerWaalsContact CB-O 3.23Å; N172-P226 WeakPolarHBondContact CB-O 3.48Å; N172-P226 PolarHBondContact ND2-O 2.94Å; N172-K273 VanDerWaalsContact O-CD 3.3Å; N172-K273 WeakPolarHBondContact O-CD 3.46Å; N172-K273 WeakPolarHBondContact O-CE 3.21Å; N172-K273 PolarHBondContact O-NZ 3.06Å; N172-K273 PolarHBondContact OD1-NZ 3.08Å |
| 173 | K | 93.1 | Very high | 94.5 | Very high | 87 Ų | 87 | 13.3 Ų | 13.3 | 38% | 0.378 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -89.4 | -23.8 | 176.6 | -70.5 | -164.8 | 168.9 | -151 | 0 | 114.9 | A175 I228 L229 K273 S274 | K173-A175 PolarHBondContact O-N 3.41Å; K173-I228 CarbonylContact C-O 3.56Å; K173-L229 HydrophobicContact CB-CB 4.08Å; K173-L229 HydrophobicContact CB-CD1 3.81Å; K173-L229 HydrophobicContact CD-CD1 4.41Å; K173-K273 WeakPolarHBondContact O-CE 3.45Å; K173-S274 PolarHBondContact NZ-OG 3.39Å |
| 174 | L | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -47.7 | 119 | -178.4 | -171.3 | 64.3 | 0 | 0 | 0 | 111.6 | I164 G167 F179 I228 N231 A234 K273 | I164-L174 HydrophobicContact CG2-CD2 4.01Å; G167-L174 PolarHBondContact N-O 3.48Å; L174-F179 HydrophobicContact CD1-CE2 4.09Å; L174-F179 HydrophobicContact CD1-CZ 4.11Å; L174-F179 HydrophobicContact CD2-CD2 4.06Å; L174-F179 HydrophobicContact CD2-CE2 3.49Å; L174-F179 VanDerWaalsContact CD2-CE2 3.49Å; L174-F179 HydrophobicContact CD2-CZ 4.29Å; L174-F179 HydrophobicContact CG-CE2 3.93Å; L174-F179 HydrophobicContact CG-CZ 4.44Å; L174-I228 WeakPolarHBondContact CA-O 3.43Å; L174-I228 HydrophobicContact CB-CG1 4.3Å; L174-I228 HydrophobicContact CD1-CD1 4.25Å; L174-I228 HydrophobicContact CD1-CG1 4.19Å; L174-I228 HydrophobicContact CD2-CD1 4.07Å; L174-I228 HydrophobicContact CD2-CG1 4.17Å; L174-I228 HydrophobicContact CG-CG1 4.49Å; L174-I228 PolarHBondContact N-O 2.98Å; L174-N231 HydrophobicContact CD1-CB 4.37Å; L174-N231 VanDerWaalsContact CD1-OD1 3.24Å; L174-N231 WeakPolarHBondContact CD1-OD1 3.5Å; L174-A234 HydrophobicContact CD1-CB 4.47Å; L174-A234 HydrophobicContact CD2-CB 4.31Å; L174-K273 WeakPolarHBondContact O-CE 3.5Å; L174-K273 PolarHBondContact O-NZ 3.38Å | ||
| 175 | A | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | trans | -77 | -41.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G167 K173 F262 L270 F272 | G167-A175 WeakPolarHBondContact CA-O 3.28Å; G167-A175 PolarHBondContact N-O 2.83Å; K173-A175 PolarHBondContact O-N 3.41Å; A175-F262 HydrophobicContact CB-CD1 4.35Å; A175-F262 HydrophobicContact CB-CE1 4.45Å; A175-L270 HydrophobicContact CB-CB 4.37Å; A175-L270 HydrophobicContact CB-CD2 4.34Å; A175-L270 WeakPolarHBondContact CB-O 3.37Å; A175-F272 HydrophobicContact CB-CD1 4.02Å; A175-F272 HydrophobicContact CB-CE1 4.11Å | ||
| 176 | M | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -69.5 | 140.2 | 179.3 | -63.4 | 176.8 | -172.6 | 0 | 0 | 110.6 | G166 G167 F179 N231 M255 V257 L270 L290 Y291 F294 | G166-M176 CarbonylContact C-O 3.53Å; G166-M176 WeakPolarHBondContact CA-O 3.41Å; G167-M176 PolarHBondContact N-O 3.06Å; M176-F179 HydrophobicContact CB-CE2 3.85Å; M176-F179 HydrophobicContact CB-CZ 3.78Å; M176-F179 HydrophobicContact SD-CZ 4.29Å; M176-N231 WeakPolarHBondContact CB-OD1 3.49Å; M176-N231 HydrophobicContact CE-CB 4.07Å; M176-N231 HydrophobicContact CG-CB 4.43Å; M176-N231 WeakPolarHBondContact CG-OD1 3.18Å; M176-N231 PolarHBondContact N-OD1 2.95Å; M176-N231 HydrophobicContact SD-CB 3.67Å; M176-M255 HydrophobicContact SD-CE 3.28Å; M176-M255 WeakPolarHBondContact SD-CE 3.33Å; M176-V257 HydrophobicContact CG-CG1 4.15Å; M176-V257 HydrophobicContact CG-CG2 4.36Å; M176-V257 HydrophobicContact SD-CG2 4.26Å; M176-L270 HydrophobicContact CE-CD2 4.41Å; M176-L290 HydrophobicContact CE-CD2 4.24Å; M176-Y291 HydrophobicContact CE-CD1 4.31Å; M176-Y291 HydrophobicContact CE-CE1 3.57Å; M176-Y291 HydrophobicContact SD-CE1 4.45Å; M176-F294 HydrophobicContact CE-CE2 3.88Å; M176-F294 HydrophobicContact SD-CE2 4.08Å |
| 177 | Q | 96.6 | Very high | 95 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -79.3 | -43 | -164.3 | -171.4 | 163 | -98.3 | 0 | 0 | 113.8 | G166 H169 D256 A258 | G166-Q177 PolarHBondContact N-O 3.02Å; H169-Q177 HydrophobicContact CB-CG 4.33Å; H169-Q177 VanDerWaalsContact CE1-CD 3.45Å; H169-Q177 PolarHBondContact CE1-NE2 3.39Å; H169-Q177 WeakPolarHBondContact ND1-CG 3.23Å; Q177-D256 PolarHBondContact N-O 2.98Å; Q177-D256 PolarHBondContact NE2-OD2 3.38Å; Q177-A258 HydrophobicContact CB-CB 3.8Å; Q177-A258 HydrophobicContact CG-CB 4.38Å | ||
| 178 | E | 98.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.4 | -172.6 | -43.7 | 178.2 | 169.7 | 0 | 0 | 111.3 | N162 H169 M180 M255 D256 K405 | N162-E178 HydrophobicContact CB-CB 4.46Å; N162-E178 WeakPolarHBondContact ND2-CG 3.36Å; N162-E178 WeakPolarHBondContact OD1-CB 3.25Å; H169-E178 IonicContact CE1-OE1 3.67Å; H169-E178 IonicContact ND1-OE1 3.45Å; E178-M180 HydrophobicContact CB-CE 4.47Å; E178-M180 HydrophobicContact CB-CG 4.36Å; E178-M255 WeakPolarHBondContact O-CA 3.38Å; E178-D256 HydrophobicContact CB-CB 3.81Å; E178-D256 HydrophobicContact CG-CB 3.77Å; E178-D256 PolarHBondContact N-O 2.95Å; E178-D256 PolarHBondContact O-N 3.36Å; E178-K405 IonicContact OE1-NZ 3.48Å; E178-K405 IonicContact OE2-NZ 3.8Å; E178-K405 PolarHBondContact OE2-NZ 2.95Å |
| 179 | F | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 113.2 | 167.8 | -61 | -105.4 | 0 | 0 | 0 | 108.1 | V163 I164 L174 M176 N231 A234 L235 L238 M255 | V163-F179 VanDerWaalsContact CG2-O 3.27Å; V163-F179 WeakPolarHBondContact CG2-O 3.29Å; V163-F179 PolarHBondContact N-O 2.61Å; I164-F179 HydrophobicContact CB-CB 4.15Å; I164-F179 HydrophobicContact CB-CD2 4.39Å; I164-F179 HydrophobicContact CG2-CD2 4.42Å; I164-F179 PolarHBondContact N-O 2.81Å; I164-F179 PolarHBondContact O-N 2.91Å; L174-F179 HydrophobicContact CD1-CE2 4.09Å; L174-F179 HydrophobicContact CD1-CZ 4.11Å; L174-F179 HydrophobicContact CD2-CD2 4.06Å; L174-F179 HydrophobicContact CD2-CE2 3.49Å; L174-F179 VanDerWaalsContact CD2-CE2 3.49Å; L174-F179 HydrophobicContact CD2-CZ 4.29Å; L174-F179 HydrophobicContact CG-CE2 3.93Å; L174-F179 HydrophobicContact CG-CZ 4.44Å; M176-F179 HydrophobicContact CB-CE2 3.85Å; M176-F179 HydrophobicContact CB-CZ 3.78Å; M176-F179 HydrophobicContact SD-CZ 4.29Å; F179-N231 HydrophobicContact CE1-CB 4.44Å; F179-N231 HydrophobicContact CZ-CB 4Å; F179-A234 HydrophobicContact CD1-CB 3.75Å; F179-A234 HydrophobicContact CD2-CB 4Å; F179-A234 HydrophobicContact CE1-CB 3.62Å; F179-A234 HydrophobicContact CE2-CB 3.92Å; F179-A234 HydrophobicContact CG-CB 3.93Å; F179-A234 HydrophobicContact CZ-CB 3.71Å; F179-L235 HydrophobicContact CD1-CD2 3.85Å; F179-L235 HydrophobicContact CD1-CG 4.17Å; F179-L235 HydrophobicContact CE1-CD2 4.19Å; F179-L235 HydrophobicContact CE1-CG 4.07Å; F179-L238 HydrophobicContact CB-CD1 3.79Å; F179-M255 HydrophobicContact CD1-CE 4.25Å; F179-M255 HydrophobicContact CD1-CG 4.35Å; F179-M255 HydrophobicContact CE1-CE 3.67Å; F179-M255 HydrophobicContact CZ-CE 4.25Å |
| 180 | M | 98.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 147.4 | -169.4 | -63.8 | 176.9 | -90.9 | 0 | 0 | 112.2 | A160 F161 N162 E178 L182 I253 G254 D256 K405 | A160-M180 HydrophobicContact CB-CB 4.46Å; A160-M180 HydrophobicContact CB-SD 3.81Å; F161-M180 CarbonylContact O-C 3.58Å; F161-M180 WeakPolarHBondContact O-CA 3.13Å; N162-M180 HydrophobicContact CB-CG 4.16Å; E178-M180 HydrophobicContact CB-CE 4.47Å; E178-M180 HydrophobicContact CB-CG 4.36Å; M180-L182 HydrophobicContact CB-CD1 4.16Å; M180-I253 VanDerWaalsContact O-CA 3.32Å; M180-I253 WeakPolarHBondContact O-CA 3.41Å; M180-I253 WeakPolarHBondContact O-CG2 3.48Å; M180-G254 WeakPolarHBondContact CA-O 3.41Å; M180-G254 PolarHBondContact N-O 3.17Å; M180-G254 PolarHBondContact O-N 2.93Å; M180-D256 HydrophobicContact CE-CB 4.16Å; M180-K405 HydrophobicContact CE-CD 4.4Å; M180-K405 HydrophobicContact SD-CB 4.13Å; M180-K405 HydrophobicContact SD-CD 4.02Å |
| 181 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.3 | 166.7 | 59 | 173.6 | 0 | 0 | 0 | 110.1 | F161 V163 V199 L238 I242 I251 | F161-I181 HydrophobicContact CB-CG1 3.92Å; F161-I181 HydrophobicContact CD2-CG1 4.12Å; F161-I181 PolarHBondContact N-O 3.03Å; F161-I181 PolarHBondContact O-N 3.32Å; V163-I181 HydrophobicContact CG1-CD1 4Å; V163-I181 HydrophobicContact CG1-CG1 3.95Å; V163-I181 HydrophobicContact CG2-CG1 4.25Å; V163-I181 HydrophobicContact CG2-CG2 4.03Å; I181-V199 HydrophobicContact CD1-CB 3.64Å; I181-V199 HydrophobicContact CD1-CG1 3.51Å; I181-V199 HydrophobicContact CD1-CG2 4.49Å; I181-L238 HydrophobicContact CG2-CD1 4.26Å; I181-L238 HydrophobicContact CG2-CD2 4.39Å; I181-I242 HydrophobicContact CG2-CD1 4.15Å; I181-I242 HydrophobicContact CG2-CG1 4.48Å; I181-I251 HydrophobicContact CB-CG2 3.83Å; I181-I251 HydrophobicContact CG2-CG2 4.12Å |
| 182 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 109.5 | 179.1 | -66.6 | 79.9 | 0 | 0 | 0 | 109.1 | V158 A160 M180 V184 I251 I252 F439 | V158-L182 HydrophobicContact CG1-CB 3.99Å; A160-L182 HydrophobicContact CB-CD1 3.98Å; A160-L182 HydrophobicContact CB-CD2 4.04Å; A160-L182 HydrophobicContact CB-CG 3.72Å; M180-L182 HydrophobicContact CB-CD1 4.16Å; L182-V184 HydrophobicContact CB-CG1 4.26Å; L182-V184 PolarHBondContact O-N 3.33Å; L182-I251 WeakPolarHBondContact O-CA 2.89Å; L182-I252 HydrophobicContact CB-CD1 4.21Å; L182-I252 HydrophobicContact CB-CG1 3.67Å; L182-I252 HydrophobicContact CD2-CD1 4.29Å; L182-I252 HydrophobicContact CG-CG1 4.47Å; L182-I252 PolarHBondContact N-O 3.43Å; L182-I252 PolarHBondContact O-N 2.91Å; L182-F439 HydrophobicContact CD2-CE2 4.39Å |
| 183 | P | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | trans | -79.4 | 62.1 | -179.5 | 35.9 | -38.5 | 0 | 0 | 0 | 112 | P159 F161 G185 A186 A192 I195 K250 I251 | P159-P183 HydrophobicContact CG-CG 4.08Å; P159-P183 VanDerWaalsContact O-CD 3.27Å; P159-P183 WeakPolarHBondContact O-CD 3.24Å; F161-P183 HydrophobicContact CE2-CG 4.06Å; P183-G185 PolarHBondContact O-N 2.96Å; P183-G185 VanDerWaalsContact O-N 3.16Å; P183-A186 WeakPolarHBondContact O-CB 3.42Å; P183-A186 PolarHBondContact O-N 2.94Å; P183-A186 VanDerWaalsContact O-N 3.11Å; P183-A192 HydrophobicContact CB-CB 4.3Å; P183-A192 HydrophobicContact CG-CB 3.55Å; P183-A192 WeakPolarHBondContact CG-O 3.47Å; P183-I195 HydrophobicContact CB-CB 4.13Å; P183-I195 HydrophobicContact CB-CG2 3.75Å; P183-K250 CarbonylContact C-O 3.26Å; P183-K250 VanDerWaalsContact C-O 3.28Å; P183-K250 WeakPolarHBondContact CA-O 3.38Å; P183-I251 HydrophobicContact CB-CG1 4.31Å | ||
| 184 | V | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.085 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.1 | -178.9 | -65.8 | 0 | 0 | 0 | 0 | 114.2 | V158 L182 K250 I252 G436 K437 F439 | V158-V184 HydrophobicContact CG1-CG1 3.96Å; V158-V184 HydrophobicContact CG2-CG1 4.33Å; L182-V184 HydrophobicContact CB-CG1 4.26Å; L182-V184 PolarHBondContact O-N 3.33Å; V184-K250 PolarHBondContact N-O 3.05Å; V184-K250 VanDerWaalsContact N-O 3.13Å; V184-I252 HydrophobicContact CG1-CD1 3.52Å; V184-I252 HydrophobicContact CG1-CG1 3.87Å; V184-I252 HydrophobicContact CG2-CD1 4.28Å; V184-I252 HydrophobicContact CG2-CG1 4.12Å; V184-I252 HydrophobicContact CG2-CG2 3.82Å; V184-G436 CarbonylContact O-C 3.37Å; V184-G436 VanDerWaalsContact O-C 3.26Å; V184-G436 VanDerWaalsContact O-CA 3.29Å; V184-G436 WeakPolarHBondContact O-CA 3.45Å; V184-K437 PolarHBondContact O-N 3.44Å; V184-F439 HydrophobicContact CG1-CD1 3.87Å; V184-F439 HydrophobicContact CG1-CE1 4.21Å |
| 185 | G | 98.6 | Very high | 98.5 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 24% | 0.237 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 5.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | P183 K250 | P183-G185 PolarHBondContact O-N 2.96Å; P183-G185 VanDerWaalsContact O-N 3.16Å; G185-K250 PolarHBondContact N-O 3.08Å |
| 186 | A | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 21.8 Ų | 21.8 | 7% | 0.074 | 12% | 0.116 | C | C | . | . | trans | -69.8 | 151.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P183 E191 A192 I195 F434 | P183-A186 WeakPolarHBondContact O-CB 3.42Å; P183-A186 PolarHBondContact O-N 2.94Å; P183-A186 VanDerWaalsContact O-N 3.11Å; A186-E191 HydrophobicContact CB-CB 4.19Å; A186-E191 HydrophobicContact CB-CG 4.23Å; A186-A192 HydrophobicContact CB-CB 3.76Å; A186-I195 HydrophobicContact CB-CD1 4.13Å; A186-F434 HydrophobicContact CB-CE1 3.94Å; A186-F434 HydrophobicContact CB-CZ 4.25Å; A186-F434 WeakPolarHBondContact O-CD1 3.45Å; A186-F434 VanDerWaalsContact O-CE1 3.29Å; A186-F434 WeakPolarHBondContact O-CE1 3.33Å | ||
| 187 | S | 98.1 | Very high | 98.7 | Very high | 85 Ų | 85 | 23 Ų | 23 | 59% | 0.594 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -81.8 | -26.2 | 178 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | E191 | S187-E191 VanDerWaalsContact CB-OE2 3.28Å; S187-E191 WeakPolarHBondContact CB-OE2 3.4Å; S187-E191 PolarHBondContact N-OE2 3.36Å; S187-E191 PolarHBondContact OG-OE2 3.33Å |
| 188 | N | 98.7 | Very high | 98.8 | Very high | 60 Ų | 60 | 26.2 Ų | 26.2 | 32% | 0.321 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -155.4 | 174.2 | -178.3 | 62.9 | 45.4 | 0 | 0 | 0 | 110.6 | H190 E191 A192 E425 | N188-H190 PolarHBondContact OD1-N 3.34Å; N188-E191 PolarHBondContact O-N 2.88Å; N188-E191 WeakPolarHBondContact OD1-CB 3.4Å; N188-E191 PolarHBondContact OD1-N 3.39Å; N188-A192 PolarHBondContact O-N 2.87Å; N188-E425 WeakPolarHBondContact CB-OE1 3.48Å |
| 189 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | -176.2 | -173.5 | -90.7 | 0 | 0 | 0 | 112.4 | L156 P157 P159 E191 A192 M193 Y418 L421 M422 E425 F434 | L156-F189 HydrophobicContact CB-CB 4.32Å; L156-F189 HydrophobicContact CD1-CB 4.01Å; L156-F189 HydrophobicContact CD2-CB 4.5Å; P157-F189 HydrophobicContact CG-CE2 4.29Å; P157-F189 VanDerWaalsContact O-CD2 3.25Å; P157-F189 WeakPolarHBondContact O-CD2 3.27Å; P159-F189 HydrophobicContact CB-CE2 4.19Å; P159-F189 HydrophobicContact CG-CE2 4.06Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.46Å; F189-A192 WeakPolarHBondContact O-CB 3.16Å; F189-A192 PolarHBondContact O-N 2.96Å; F189-M193 HydrophobicContact CD1-CG 3.88Å; F189-M193 HydrophobicContact CE1-CG 3.31Å; F189-M193 HydrophobicContact CE1-SD 3.83Å; F189-M193 HydrophobicContact CZ-CG 3.78Å; F189-M193 HydrophobicContact CZ-SD 3.71Å; F189-M193 WeakPolarHBondContact O-CG 3.46Å; F189-M193 PolarHBondContact O-N 3.43Å; F189-Y418 WeakPolarHBondContact CE1-O 3.46Å; F189-Y418 HydrophobicContact CZ-CD1 4.08Å; F189-L421 HydrophobicContact CD1-CB 3.81Å; F189-L421 HydrophobicContact CD2-CB 4.39Å; F189-L421 HydrophobicContact CE1-CB 3.26Å; F189-L421 HydrophobicContact CE1-CD1 4.26Å; F189-L421 HydrophobicContact CE1-CG 4.38Å; F189-L421 HydrophobicContact CE2-CB 3.91Å; F189-L421 HydrophobicContact CE2-CD1 3.63Å; F189-L421 HydrophobicContact CE2-CG 4.32Å; F189-L421 HydrophobicContact CG-CB 4.35Å; F189-L421 HydrophobicContact CZ-CB 3.32Å; F189-L421 HydrophobicContact CZ-CD1 3.41Å; F189-L421 VanDerWaalsContact CZ-CD1 3.41Å; F189-L421 HydrophobicContact CZ-CG 3.98Å; F189-M422 HydrophobicContact CD1-CG 3.8Å; F189-M422 HydrophobicContact CE1-CG 3.83Å; F189-E425 VanDerWaalsContact CB-OE1 3.3Å; F189-E425 WeakPolarHBondContact CB-OE1 3.48Å; F189-E425 PolarHBondContact N-OE1 2.66Å; F189-F434 HydrophobicContact CB-CD2 4.21Å; F189-F434 HydrophobicContact CB-CE2 4.44Å; F189-F434 HydrophobicContact CD2-CE2 4.31Å |
| 190 | H | 98.6 | Very high | 98.8 | Very high | 84 Ų | 84 | 26.5 Ų | 26.5 | 39% | 0.389 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -56 | -44.6 | 173.2 | -95.1 | 67.5 | 0 | 0 | 0 | 112.6 | N188 M193 R194 M422 E425 | N188-H190 PolarHBondContact OD1-N 3.34Å; H190-M193 PolarHBondContact O-N 3.5Å; H190-R194 PolarHBondContact O-N 3.49Å; H190-M422 WeakPolarHBondContact CE1-CB 3.36Å; H190-M422 PolarHBondContact CE1-O 2.89Å; H190-E425 WeakPolarHBondContact CB-OE2 3.3Å; H190-E425 IonicContact CE1-OE2 2.63Å; H190-E425 IonicContact CG-OE2 3.17Å; H190-E425 PolarHBondContact N-OE2 3.07Å; H190-E425 IonicContact ND1-OE2 2.84Å; H190-E425 PolarHBondContact ND1-OE2 3.16Å |
| 191 | E | 98.8 | Very high | 98.8 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 176.5 | -172.3 | -174.1 | -173.5 | 0 | 0 | 111 | A186 S187 N188 F189 M193 R194 I195 K250 | A186-E191 HydrophobicContact CB-CB 4.19Å; A186-E191 HydrophobicContact CB-CG 4.23Å; S187-E191 VanDerWaalsContact CB-OE2 3.28Å; S187-E191 WeakPolarHBondContact CB-OE2 3.4Å; S187-E191 PolarHBondContact N-OE2 3.36Å; S187-E191 PolarHBondContact OG-OE2 3.33Å; N188-E191 PolarHBondContact O-N 2.88Å; N188-E191 WeakPolarHBondContact OD1-CB 3.4Å; N188-E191 PolarHBondContact OD1-N 3.39Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.46Å; E191-M193 VanDerWaalsContact C-N 3.31Å; E191-M193 PolarHBondContact O-N 3.37Å; E191-R194 PolarHBondContact O-N 3Å; E191-R194 IonicContact OE1-NH2 3.07Å; E191-I195 HydrophobicContact CG-CD1 3.84Å; E191-I195 HydrophobicContact CG-CG1 4.26Å; E191-I195 WeakPolarHBondContact O-CB 3.27Å; E191-I195 VanDerWaalsContact O-CG1 3.31Å; E191-I195 WeakPolarHBondContact O-CG1 3.42Å; E191-I195 PolarHBondContact O-N 3.07Å; E191-K250 IonicContact OE1-NZ 2.78Å; E191-K250 PolarHBondContact OE1-NZ 2.81Å |
| 192 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P159 P183 A186 N188 F189 I195 G196 F434 | P159-A192 HydrophobicContact CG-CB 3.97Å; P183-A192 HydrophobicContact CB-CB 4.3Å; P183-A192 HydrophobicContact CG-CB 3.55Å; P183-A192 WeakPolarHBondContact CG-O 3.47Å; A186-A192 HydrophobicContact CB-CB 3.76Å; N188-A192 PolarHBondContact O-N 2.87Å; F189-A192 WeakPolarHBondContact O-CB 3.16Å; F189-A192 PolarHBondContact O-N 2.96Å; A192-I195 PolarHBondContact O-N 3.41Å; A192-G196 PolarHBondContact O-N 2.96Å; A192-F434 HydrophobicContact CB-CE2 4.09Å; A192-F434 HydrophobicContact CB-CZ 3.79Å |
| 193 | M | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.069 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 175 | -75.5 | -55.3 | -49.2 | 0 | 0 | 112.6 | F161 F189 H190 E191 G196 A197 Y418 M422 | F161-M193 HydrophobicContact CE1-CE 3.78Å; F161-M193 HydrophobicContact CE1-SD 3.61Å; F161-M193 HydrophobicContact CZ-CE 3.99Å; F161-M193 HydrophobicContact CZ-SD 3.46Å; F161-M193 WeakPolarHBondContact CZ-SD 3.42Å; F189-M193 HydrophobicContact CD1-CG 3.88Å; F189-M193 HydrophobicContact CE1-CG 3.31Å; F189-M193 HydrophobicContact CE1-SD 3.83Å; F189-M193 HydrophobicContact CZ-CG 3.78Å; F189-M193 HydrophobicContact CZ-SD 3.71Å; F189-M193 WeakPolarHBondContact O-CG 3.46Å; F189-M193 PolarHBondContact O-N 3.43Å; H190-M193 PolarHBondContact O-N 3.5Å; E191-M193 VanDerWaalsContact C-N 3.31Å; E191-M193 PolarHBondContact O-N 3.37Å; M193-G196 PolarHBondContact O-N 3.45Å; M193-A197 WeakPolarHBondContact O-CB 3.2Å; M193-A197 PolarHBondContact O-N 3.46Å; M193-Y418 HydrophobicContact CE-CD1 4.3Å; M193-Y418 HydrophobicContact CE-CD2 4.1Å; M193-Y418 HydrophobicContact CE-CG 3.73Å; M193-Y418 VanDerWaalsContact SD-CB 3.57Å; M193-Y418 HydrophobicContact SD-CD1 3.59Å; M193-Y418 VanDerWaalsContact SD-CD1 3.59Å; M193-Y418 HydrophobicContact SD-CD2 4.45Å; M193-Y418 HydrophobicContact SD-CE1 4.38Å; M193-Y418 HydrophobicContact SD-CG 3.62Å; M193-M422 HydrophobicContact CB-SD 4.17Å; M193-M422 HydrophobicContact CG-CG 4.13Å; M193-M422 HydrophobicContact CG-SD 4.1Å |
| 194 | R | 98.9 | Very high | 98.8 | Very high | 131 Ų | 131 | 37.7 Ų | 37.7 | 49% | 0.494 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.2 | -50.5 | 177.1 | -178.1 | -174.7 | 67.7 | 177.8 | -1 | 111.4 | H190 E191 G196 A197 E198 | H190-R194 PolarHBondContact O-N 3.49Å; E191-R194 PolarHBondContact O-N 3Å; E191-R194 IonicContact OE1-NH2 3.07Å; R194-G196 VanDerWaalsContact C-N 3.34Å; R194-G196 PolarHBondContact O-N 3.02Å; R194-A197 PolarHBondContact O-N 2.95Å; R194-E198 WeakPolarHBondContact CD-OE1 3.32Å; R194-E198 HydrophobicContact CG-CG 4.4Å; R194-E198 VanDerWaalsContact CG-OE1 3.23Å; R194-E198 WeakPolarHBondContact CG-OE1 3.08Å; R194-E198 WeakPolarHBondContact O-CG 3.32Å; R194-E198 PolarHBondContact O-N 3.14Å |
| 195 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.4 | -48.4 | 179.6 | -71.8 | 172.8 | 0 | 0 | 0 | 110.3 | P183 A186 E191 A192 A197 E198 V199 Y247 K250 I251 | P183-I195 HydrophobicContact CB-CB 4.13Å; P183-I195 HydrophobicContact CB-CG2 3.75Å; A186-I195 HydrophobicContact CB-CD1 4.13Å; E191-I195 HydrophobicContact CG-CD1 3.84Å; E191-I195 HydrophobicContact CG-CG1 4.26Å; E191-I195 WeakPolarHBondContact O-CB 3.27Å; E191-I195 VanDerWaalsContact O-CG1 3.31Å; E191-I195 WeakPolarHBondContact O-CG1 3.42Å; E191-I195 PolarHBondContact O-N 3.07Å; A192-I195 PolarHBondContact O-N 3.41Å; I195-A197 PolarHBondContact O-N 2.53Å; I195-E198 PolarHBondContact O-N 3.13Å; I195-V199 WeakPolarHBondContact O-CG2 3.4Å; I195-V199 PolarHBondContact O-N 3.43Å; I195-Y247 HydrophobicContact CB-CD2 4.46Å; I195-Y247 HydrophobicContact CB-CE2 4.41Å; I195-Y247 HydrophobicContact CD1-CD1 4.27Å; I195-Y247 HydrophobicContact CD1-CE1 4.25Å; I195-Y247 HydrophobicContact CG1-CD1 4.1Å; I195-Y247 HydrophobicContact CG1-CD2 4.41Å; I195-Y247 HydrophobicContact CG1-CE1 3.82Å; I195-Y247 HydrophobicContact CG1-CE2 4.16Å; I195-Y247 HydrophobicContact CG1-CG 4.39Å; I195-Y247 HydrophobicContact CG2-CD1 4.39Å; I195-Y247 HydrophobicContact CG2-CD2 3.83Å; I195-Y247 HydrophobicContact CG2-CE2 4.26Å; I195-Y247 HydrophobicContact CG2-CG 3.9Å; I195-K250 HydrophobicContact CD1-CD 3.66Å; I195-I251 HydrophobicContact CG2-CD1 3.61Å; I195-I251 HydrophobicContact CG2-CG1 3.9Å |
| 196 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | A192 M193 R194 V199 Y200 | A192-G196 PolarHBondContact O-N 2.96Å; M193-G196 PolarHBondContact O-N 3.45Å; R194-G196 VanDerWaalsContact C-N 3.34Å; R194-G196 PolarHBondContact O-N 3.02Å; G196-V199 PolarHBondContact O-N 2.93Å; G196-Y200 WeakPolarHBondContact O-CB 3.29Å; G196-Y200 PolarHBondContact O-N 3.27Å |
| 197 | A | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 22% | 0.223 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M193 R194 I195 Y200 H201 P409 | M193-A197 WeakPolarHBondContact O-CB 3.2Å; M193-A197 PolarHBondContact O-N 3.46Å; R194-A197 PolarHBondContact O-N 2.95Å; I195-A197 PolarHBondContact O-N 2.53Å; A197-Y200 PolarHBondContact O-N 2.99Å; A197-H201 PolarHBondContact O-N 3.37Å; A197-H201 PolarHBondContact O-ND1 3.19Å; A197-P409 HydrophobicContact CB-CB 4.27Å; A197-P409 HydrophobicContact CB-CG 4.49Å |
| 198 | E | 98.9 | Very high | 98.8 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 177.5 | -74.4 | 176.5 | -168.1 | 0 | 0 | 112.2 | R194 I195 H201 N202 Y247 | R194-E198 WeakPolarHBondContact CD-OE1 3.32Å; R194-E198 HydrophobicContact CG-CG 4.4Å; R194-E198 VanDerWaalsContact CG-OE1 3.23Å; R194-E198 WeakPolarHBondContact CG-OE1 3.08Å; R194-E198 WeakPolarHBondContact O-CG 3.32Å; R194-E198 PolarHBondContact O-N 3.14Å; I195-E198 PolarHBondContact O-N 3.13Å; E198-H201 PolarHBondContact O-N 3.46Å; E198-N202 PolarHBondContact O-N 3.46Å; E198-N202 PolarHBondContact O-ND2 3.4Å; E198-Y247 HydrophobicContact CB-CE2 4.15Å; E198-Y247 WeakPolarHBondContact OE2-CE2 3.37Å; E198-Y247 VanDerWaalsContact OE2-CZ 3.26Å; E198-Y247 PolarHBondContact OE2-OH 3.07Å |
| 199 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 172.9 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | I181 I195 G196 H201 N202 L203 A241 I242 A245 Y247 I251 | I181-V199 HydrophobicContact CD1-CB 3.64Å; I181-V199 HydrophobicContact CD1-CG1 3.51Å; I181-V199 HydrophobicContact CD1-CG2 4.49Å; I195-V199 WeakPolarHBondContact O-CG2 3.4Å; I195-V199 PolarHBondContact O-N 3.43Å; G196-V199 PolarHBondContact O-N 2.93Å; V199-H201 VanDerWaalsContact C-N 3.33Å; V199-H201 PolarHBondContact O-N 3.35Å; V199-N202 PolarHBondContact O-N 3.37Å; V199-L203 VanDerWaalsContact O-CB 3.31Å; V199-L203 WeakPolarHBondContact O-CB 3.33Å; V199-L203 PolarHBondContact O-N 2.71Å; V199-A241 HydrophobicContact CG1-CB 4.22Å; V199-I242 HydrophobicContact CG1-CG1 3.89Å; V199-I242 HydrophobicContact CG2-CG1 4.47Å; V199-A245 HydrophobicContact CB-CB 4.44Å; V199-A245 HydrophobicContact CG2-CB 3.58Å; V199-Y247 HydrophobicContact CG2-CD2 4.03Å; V199-I251 HydrophobicContact CB-CD1 4.42Å; V199-I251 HydrophobicContact CG2-CD1 3.47Å; V199-I251 VanDerWaalsContact CG2-CD1 3.47Å |
| 200 | Y | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 177 | 177.5 | -100.1 | 0 | 0 | 0 | 112.3 | V163 G196 A197 L203 K204 V218 G222 F224 A408 P409 C410 | V163-Y200 HydrophobicContact CB-CD2 4.14Å; V163-Y200 HydrophobicContact CG1-CD2 3.79Å; G196-Y200 WeakPolarHBondContact O-CB 3.29Å; G196-Y200 PolarHBondContact O-N 3.27Å; A197-Y200 PolarHBondContact O-N 2.99Å; Y200-L203 WeakPolarHBondContact O-CB 3.47Å; Y200-L203 PolarHBondContact O-N 2.68Å; Y200-K204 PolarHBondContact O-N 3.17Å; Y200-V218 VanDerWaalsContact OH-CG1 3.31Å; Y200-V218 WeakPolarHBondContact OH-CG1 3.46Å; Y200-G222 WeakPolarHBondContact CE2-O 3.36Å; Y200-G222 PolarHBondContact OH-O 2.77Å; Y200-F224 HydrophobicContact CD1-CZ 4.3Å; Y200-F224 HydrophobicContact CD2-CD2 4.42Å; Y200-F224 AromaticContact CD2-CE2 3.66Å; Y200-F224 HydrophobicContact CD2-CE2 3.66Å; Y200-F224 HydrophobicContact CD2-CZ 4.1Å; Y200-F224 HydrophobicContact CE1-CE2 4.27Å; Y200-F224 AromaticContact CE1-CZ 3.71Å; Y200-F224 HydrophobicContact CE1-CZ 3.71Å; Y200-F224 AromaticContact CE2-CD2 4Å; Y200-F224 HydrophobicContact CE2-CD2 4Å; Y200-F224 HydrophobicContact CE2-CE1 4.28Å; Y200-F224 AromaticContact CE2-CE2 3.38Å; Y200-F224 HydrophobicContact CE2-CE2 3.38Å; Y200-F224 AromaticContact CE2-CZ 3.52Å; Y200-F224 HydrophobicContact CE2-CZ 3.52Å; Y200-F224 HydrophobicContact CG-CE2 4.25Å; Y200-F224 HydrophobicContact CG-CZ 4.47Å; Y200-F224 AromaticContact CZ-CE1 3.89Å; Y200-F224 AromaticContact CZ-CE2 3.71Å; Y200-F224 AromaticContact CZ-CZ 3.29Å; Y200-F224 WeakPolarHBondContact O-CE2 3.31Å; Y200-F224 WeakPolarHBondContact OH-CZ 3.31Å; Y200-A408 HydrophobicContact CD2-CB 4.45Å; Y200-A408 HydrophobicContact CE2-CB 4.01Å; Y200-P409 HydrophobicContact CD1-CG 4.12Å; Y200-P409 HydrophobicContact CD2-CG 4.33Å; Y200-P409 HydrophobicContact CG-CG 3.78Å; Y200-C410 HydrophobicContact CE1-CB 3.94Å; Y200-C410 WeakPolarHBondContact OH-CB 3.2Å; Y200-C410 PolarHBondContact OH-SG 3.18Å |
| 201 | H | 98.9 | Very high | 98.6 | Very high | 107 Ų | 107 | 48.2 Ų | 48.2 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.7 | -35.9 | 175.9 | -66.5 | 142 | 0 | 0 | 0 | 113.2 | A197 E198 V199 K204 N205 | A197-H201 PolarHBondContact O-N 3.37Å; A197-H201 PolarHBondContact O-ND1 3.19Å; E198-H201 PolarHBondContact O-N 3.46Å; V199-H201 VanDerWaalsContact C-N 3.33Å; V199-H201 PolarHBondContact O-N 3.35Å; H201-K204 WeakPolarHBondContact O-CB 3.23Å; H201-K204 PolarHBondContact O-N 3.32Å; H201-N205 PolarHBondContact O-N 3.17Å; H201-N205 PolarHBondContact O-ND2 2.97Å |
| 202 | N | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 172 | -86.7 | -77.3 | 0 | 0 | 0 | 111.5 | E198 V199 K204 N205 V206 A245 | E198-N202 PolarHBondContact O-N 3.46Å; E198-N202 PolarHBondContact O-ND2 3.4Å; V199-N202 PolarHBondContact O-N 3.37Å; N202-K204 VanDerWaalsContact C-N 3.31Å; N202-K204 PolarHBondContact O-N 3.04Å; N202-N205 WeakPolarHBondContact O-CB 3.45Å; N202-N205 PolarHBondContact O-N 2.64Å; N202-N205 VanDerWaalsContact O-N 3.07Å; N202-V206 WeakPolarHBondContact O-CG2 3.41Å; N202-V206 PolarHBondContact O-N 3.17Å; N202-A245 HydrophobicContact CB-CB 4.43Å |
| 203 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 175.3 | 179.8 | 62.8 | 0 | 0 | 0 | 111.2 | V163 I164 V199 Y200 N205 V206 I207 F224 L237 L238 A241 | V163-L203 HydrophobicContact CB-CD2 3.8Å; V163-L203 HydrophobicContact CG2-CD2 3.94Å; I164-L203 HydrophobicContact CD1-CD1 4.26Å; I164-L203 HydrophobicContact CD1-CD2 4.32Å; I164-L203 HydrophobicContact CG1-CD2 3.82Å; V199-L203 VanDerWaalsContact O-CB 3.31Å; V199-L203 WeakPolarHBondContact O-CB 3.33Å; V199-L203 PolarHBondContact O-N 2.71Å; Y200-L203 WeakPolarHBondContact O-CB 3.47Å; Y200-L203 PolarHBondContact O-N 2.68Å; L203-N205 VanDerWaalsContact C-N 3.26Å; L203-N205 PolarHBondContact O-N 3.39Å; L203-V206 PolarHBondContact O-N 2.99Å; L203-I207 HydrophobicContact CD1-CD1 3.88Å; L203-I207 HydrophobicContact CD1-CG1 4.09Å; L203-I207 HydrophobicContact CD2-CD1 4.45Å; L203-I207 HydrophobicContact CG-CD1 3.8Å; L203-I207 HydrophobicContact CG-CG1 4.38Å; L203-I207 WeakPolarHBondContact O-CB 3.41Å; L203-I207 WeakPolarHBondContact O-CG1 3.27Å; L203-I207 PolarHBondContact O-N 2.88Å; L203-F224 HydrophobicContact CB-CE2 4.33Å; L203-F224 HydrophobicContact CD2-CD2 3.87Å; L203-F224 HydrophobicContact CD2-CE2 4.23Å; L203-F224 HydrophobicContact CG-CD2 3.94Å; L203-F224 HydrophobicContact CG-CE2 4.18Å; L203-L237 HydrophobicContact CD1-CB 3.98Å; L203-L238 HydrophobicContact CD1-CD2 4.11Å; L203-L238 HydrophobicContact CD2-CD2 3.65Å; L203-L238 HydrophobicContact CG-CD2 4.5Å; L203-A241 HydrophobicContact CB-CB 3.67Å; L203-A241 HydrophobicContact CD1-CB 3.94Å; L203-A241 HydrophobicContact CG-CB 4.4Å |
| 204 | K | 98.8 | Very high | 98.2 | Very high | 86 Ų | 86 | 60 Ų | 60 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52 | -46.4 | 172.7 | -166.9 | 173.7 | 179.6 | 170.2 | 0 | 111.9 | Y200 H201 N202 K208 T216 F224 | Y200-K204 PolarHBondContact O-N 3.17Å; H201-K204 WeakPolarHBondContact O-CB 3.23Å; H201-K204 PolarHBondContact O-N 3.32Å; N202-K204 VanDerWaalsContact C-N 3.31Å; N202-K204 PolarHBondContact O-N 3.04Å; K204-K208 VanDerWaalsContact O-CB 3.22Å; K204-K208 WeakPolarHBondContact O-CB 3.41Å; K204-K208 PolarHBondContact O-N 2.95Å; K204-T216 HydrophobicContact CG-CG2 3.86Å; K204-T216 WeakPolarHBondContact O-CG2 3.38Å; K204-F224 HydrophobicContact CB-CE1 4.03Å; K204-F224 HydrophobicContact CB-CE2 3.85Å; K204-F224 HydrophobicContact CB-CZ 3.36Å; K204-F224 HydrophobicContact CD-CE1 4.08Å; K204-F224 HydrophobicContact CD-CZ 3.99Å; K204-F224 HydrophobicContact CG-CE1 3.74Å; K204-F224 HydrophobicContact CG-CE2 4.47Å; K204-F224 HydrophobicContact CG-CZ 3.6Å |
| 205 | N | 98.6 | Very high | 98 | Very high | 98 Ų | 98 | 54.5 Ų | 54.5 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70 | -39.6 | -179 | -68.3 | -28.9 | 0 | 0 | 0 | 112.1 | H201 N202 L203 K208 A209 | H201-N205 PolarHBondContact O-N 3.17Å; H201-N205 PolarHBondContact O-ND2 2.97Å; N202-N205 WeakPolarHBondContact O-CB 3.45Å; N202-N205 PolarHBondContact O-N 2.64Å; N202-N205 VanDerWaalsContact O-N 3.07Å; L203-N205 VanDerWaalsContact C-N 3.26Å; L203-N205 PolarHBondContact O-N 3.39Å; N205-K208 PolarHBondContact O-N 2.71Å; N205-A209 WeakPolarHBondContact O-CB 3.47Å; N205-A209 PolarHBondContact O-N 3.03Å |
| 206 | V | 98.5 | Very high | 97.9 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -49.4 | 174.7 | 173 | 0 | 0 | 0 | 0 | 110.5 | N202 L203 A209 K210 L237 T240 K244 | N202-V206 WeakPolarHBondContact O-CG2 3.41Å; N202-V206 PolarHBondContact O-N 3.17Å; L203-V206 PolarHBondContact O-N 2.99Å; V206-A209 PolarHBondContact O-N 2.79Å; V206-K210 PolarHBondContact O-N 3.41Å; V206-K210 VanDerWaalsContact O-N 3.09Å; V206-L237 HydrophobicContact CG1-CD2 3.7Å; V206-T240 HydrophobicContact CG1-CG2 4.18Å; V206-T240 HydrophobicContact CG2-CG2 4.03Å; V206-K244 HydrophobicContact CG2-CD 3.76Å |
| 207 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 177.9 | -69.9 | 173.1 | 0 | 0 | 0 | 110.6 | L203 A209 K210 Y211 A215 T216 F224 P226 L237 | L203-I207 HydrophobicContact CD1-CD1 3.88Å; L203-I207 HydrophobicContact CD1-CG1 4.09Å; L203-I207 HydrophobicContact CD2-CD1 4.45Å; L203-I207 HydrophobicContact CG-CD1 3.8Å; L203-I207 HydrophobicContact CG-CG1 4.38Å; L203-I207 WeakPolarHBondContact O-CB 3.41Å; L203-I207 WeakPolarHBondContact O-CG1 3.27Å; L203-I207 PolarHBondContact O-N 2.88Å; I207-A209 VanDerWaalsContact C-N 3.28Å; I207-A209 PolarHBondContact O-N 3.32Å; I207-K210 PolarHBondContact O-N 3.49Å; I207-Y211 HydrophobicContact CG2-CD2 4.16Å; I207-Y211 PolarHBondContact O-N 2.75Å; I207-A215 HydrophobicContact CG2-CB 3.7Å; I207-A215 WeakPolarHBondContact CG2-O 3.49Å; I207-T216 HydrophobicContact CB-CG2 4.48Å; I207-T216 HydrophobicContact CG2-CG2 4.12Å; I207-F224 HydrophobicContact CD1-CB 3.52Å; I207-F224 HydrophobicContact CD1-CD2 3.68Å; I207-F224 HydrophobicContact CD1-CG 3.78Å; I207-P226 HydrophobicContact CD1-CG 4.26Å; I207-P226 HydrophobicContact CG2-CB 4.13Å; I207-L237 HydrophobicContact CG1-CD1 4.34Å |
| 208 | K | 98.3 | Very high | 97.7 | Very high | 115 Ų | 115 | 62 Ų | 62 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 178.2 | -173.6 | 175.7 | -179.1 | -174.2 | 0 | 112.2 | K204 N205 G212 K213 T216 | K204-K208 VanDerWaalsContact O-CB 3.22Å; K204-K208 WeakPolarHBondContact O-CB 3.41Å; K204-K208 PolarHBondContact O-N 2.95Å; N205-K208 PolarHBondContact O-N 2.71Å; K208-G212 CarbonylContact O-C 3.51Å; K208-G212 WeakPolarHBondContact O-CA 3.27Å; K208-G212 PolarHBondContact O-N 2.97Å; K208-K213 HydrophobicContact CG-CB 4.45Å; K208-T216 HydrophobicContact CB-CG2 3.73Å; K208-T216 HydrophobicContact CG-CG2 4.44Å |
| 209 | A | 98 | Very high | 97.3 | Very high | 89 Ų | 89 | 59 Ų | 59 | 74% | 0.736 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N205 V206 I207 | N205-A209 WeakPolarHBondContact O-CB 3.47Å; N205-A209 PolarHBondContact O-N 3.03Å; V206-A209 PolarHBondContact O-N 2.79Å; I207-A209 VanDerWaalsContact C-N 3.28Å; I207-A209 PolarHBondContact O-N 3.32Å |
| 210 | K | 97.7 | Very high | 96.9 | Very high | 118 Ų | 118 | 61.4 Ų | 61.4 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -88.1 | -39.8 | -175 | -169.6 | 173.2 | 173.5 | -163 | 0 | 114 | V206 I207 E233 L237 | V206-K210 PolarHBondContact O-N 3.41Å; V206-K210 VanDerWaalsContact O-N 3.09Å; I207-K210 PolarHBondContact O-N 3.49Å; K210-E233 WeakPolarHBondContact CE-OE1 3.46Å; K210-E233 IonicContact NZ-OE1 2.7Å; K210-E233 PolarHBondContact NZ-OE1 3.45Å; K210-L237 HydrophobicContact CD-CD2 4.2Å |
| 211 | Y | 96.5 | Very high | 96.8 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -120 | 3.1 | -173 | -50.4 | -79.6 | 0 | 0 | 0 | 113.9 | I207 P226 I228 E233 L237 | I207-Y211 HydrophobicContact CG2-CD2 4.16Å; I207-Y211 PolarHBondContact O-N 2.75Å; Y211-P226 HydrophobicContact CD2-CB 4.15Å; Y211-P226 HydrophobicContact CE2-CB 4.39Å; Y211-I228 HydrophobicContact CE1-CG2 3.7Å; Y211-I228 HydrophobicContact CE2-CG2 4.22Å; Y211-I228 WeakPolarHBondContact OH-CG2 3.43Å; Y211-E233 VanDerWaalsContact OH-CG 3.31Å; Y211-E233 WeakPolarHBondContact OH-CG 3.3Å; Y211-E233 PolarHBondContact OH-OE1 2.94Å; Y211-L237 HydrophobicContact CE2-CD1 3.79Å; Y211-L237 HydrophobicContact CE2-CD2 3.9Å; Y211-L237 HydrophobicContact CE2-CG 4.45Å |
| 212 | G | 97 | Very high | 96.7 | Very high | 32 Ų | 32 | 56 Ų | 56 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | trans | 86 | 170.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K208 D214 A215 | K208-G212 CarbonylContact O-C 3.51Å; K208-G212 WeakPolarHBondContact O-CA 3.27Å; K208-G212 PolarHBondContact O-N 2.97Å; G212-D214 VanDerWaalsContact C-N 3.3Å; G212-D214 PolarHBondContact O-N 2.8Å; G212-A215 PolarHBondContact O-N 2.82Å | ||
| 213 | K | 95.8 | Very high | 96.7 | Very high | 142 Ų | 142 | 53.9 Ų | 53.9 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -63 | -33 | -173.6 | 69.9 | -178.7 | -177.2 | 173.9 | 0 | 113.5 | K208 A215 T216 | K208-K213 HydrophobicContact CG-CB 4.45Å; K213-A215 PolarHBondContact O-N 2.86Å; K213-T216 WeakPolarHBondContact O-CB 3.49Å; K213-T216 PolarHBondContact O-N 3.02Å; K213-T216 PolarHBondContact O-OG1 2.91Å |
| 214 | D | 95 | Very high | 96.7 | Very high | 115 Ų | 115 | 53.9 Ų | 53.9 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -71.2 | -25.1 | -174.1 | -58.2 | -26.6 | 0 | 0 | 0 | 111.4 | G212 T216 N217 | G212-D214 VanDerWaalsContact C-N 3.3Å; G212-D214 PolarHBondContact O-N 2.8Å; D214-T216 PolarHBondContact O-N 3.44Å; D214-N217 PolarHBondContact O-N 3.49Å; D214-N217 PolarHBondContact O-ND2 2.85Å; D214-N217 VanDerWaalsContact O-ND2 3.1Å |
| 215 | A | 95.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 12% | 0.116 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -70.3 | -6.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I207 G212 K213 P226 | I207-A215 HydrophobicContact CG2-CB 3.7Å; I207-A215 WeakPolarHBondContact CG2-O 3.49Å; G212-A215 PolarHBondContact O-N 2.82Å; K213-A215 PolarHBondContact O-N 2.86Å; A215-P226 HydrophobicContact CB-CB 4.42Å |
| 216 | T | 96.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -94.8 | 7.5 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 114 | K204 I207 K208 K213 D214 F224 | K204-T216 HydrophobicContact CG-CG2 3.86Å; K204-T216 WeakPolarHBondContact O-CG2 3.38Å; I207-T216 HydrophobicContact CB-CG2 4.48Å; I207-T216 HydrophobicContact CG2-CG2 4.12Å; K208-T216 HydrophobicContact CB-CG2 3.73Å; K208-T216 HydrophobicContact CG-CG2 4.44Å; K213-T216 WeakPolarHBondContact O-CB 3.49Å; K213-T216 PolarHBondContact O-N 3.02Å; K213-T216 PolarHBondContact O-OG1 2.91Å; D214-T216 PolarHBondContact O-N 3.44Å; T216-F224 WeakPolarHBondContact O-CD1 3.49Å; T216-F224 WeakPolarHBondContact O-CE1 3.36Å |
| 217 | N | 96.5 | Very high | 96 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | trans | -64.6 | 155.1 | 162.7 | -67.7 | -32.2 | 0 | 0 | 0 | 109.9 | D214 A225 | D214-N217 PolarHBondContact O-N 3.49Å; D214-N217 PolarHBondContact O-ND2 2.85Å; D214-N217 VanDerWaalsContact O-ND2 3.1Å; N217-A225 PolarHBondContact O-N 2.96Å | ||
| 218 | V | 96.1 | Very high | 95.8 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -109.9 | 146.2 | -173.8 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | Y200 G222 G223 F224 R411 | Y200-V218 VanDerWaalsContact OH-CG1 3.31Å; Y200-V218 WeakPolarHBondContact OH-CG1 3.46Å; V218-G222 WeakPolarHBondContact CG1-O 3.23Å; V218-G223 CarbonylContact C-O 3.55Å; V218-G223 WeakPolarHBondContact CA-O 3.35Å; V218-F224 HydrophobicContact CG1-CD1 4.15Å; V218-F224 HydrophobicContact CG1-CE1 4.18Å; V218-R411 HydrophobicContact CG2-CG 4.47Å |
| 219 | G | 91.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | trans | -77.5 | -168.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E221 G222 G223 | G219-E221 PolarHBondContact O-N 3.02Å; G219-E221 VanDerWaalsContact O-N 3.11Å; G219-G222 PolarHBondContact O-N 3.46Å; G219-G222 VanDerWaalsContact O-N 3.17Å; G219-G223 PolarHBondContact N-O 3.28Å | ||
| 220 | D | 90.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.8 | -176.3 | -77.5 | -6.2 | 0 | 0 | 0 | 113.1 | R26 R411 R414 | R26-D220 WeakPolarHBondContact CD-OD2 3.37Å; D220-R411 PolarHBondContact O-NE 3.29Å; D220-R414 PolarHBondContact O-NH2 3.25Å |
| 221 | E | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 9.4 | -173.7 | -57.7 | -174.1 | 171.2 | 0 | 0 | 114.4 | N162 H169 G219 G223 H382 S384 A408 | N162-E221 PolarHBondContact ND2-OE2 2.93Å; H169-E221 IonicContact CE1-OE1 3.63Å; H169-E221 PolarHBondContact CE1-OE1 2.87Å; H169-E221 IonicContact ND1-OE1 3.65Å; G219-E221 PolarHBondContact O-N 3.02Å; G219-E221 VanDerWaalsContact O-N 3.11Å; E221-G223 VanDerWaalsContact C-N 3.34Å; E221-G223 PolarHBondContact O-N 3.01Å; E221-H382 IonicContact OE1-CE1 3.63Å; E221-H382 IonicContact OE1-NE2 2.71Å; E221-H382 PolarHBondContact OE1-NE2 2.88Å; E221-H382 IonicContact OE2-CE1 2.68Å; E221-H382 PolarHBondContact OE2-CE1 3.01Å; E221-H382 IonicContact OE2-NE2 3.77Å; E221-H382 PolarHBondContact OE2-NE2 2.92Å; E221-S384 WeakPolarHBondContact OE1-CA 3.45Å; E221-A408 WeakPolarHBondContact O-CB 3.15Å; E221-A408 PolarHBondContact O-N 3.18Å |
| 222 | G | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 87.5 | -7.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y200 V218 G219 A408 | Y200-G222 WeakPolarHBondContact CE2-O 3.36Å; Y200-G222 PolarHBondContact OH-O 2.77Å; V218-G222 WeakPolarHBondContact CG1-O 3.23Å; G219-G222 PolarHBondContact O-N 3.46Å; G219-G222 VanDerWaalsContact O-N 3.17Å; G222-A408 WeakPolarHBondContact O-CB 3.35Å |
| 223 | G | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -74.2 | 158.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | V163 N165 V218 G219 E221 | V163-G223 CarbonylContact O-C 3.57Å; V163-G223 WeakPolarHBondContact O-CA 2.87Å; N165-G223 WeakPolarHBondContact OD1-CA 3.27Å; N165-G223 PolarHBondContact OD1-N 3.44Å; V218-G223 CarbonylContact C-O 3.55Å; V218-G223 WeakPolarHBondContact CA-O 3.35Å; G219-G223 PolarHBondContact N-O 3.28Å; E221-G223 VanDerWaalsContact C-N 3.34Å; E221-G223 PolarHBondContact O-N 3.01Å | ||
| 224 | F | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -73 | 150.2 | -177.5 | -59.4 | -65.1 | 0 | 0 | 0 | 111.6 | V163 I164 N165 Y200 L203 K204 I207 T216 V218 P226 | V163-F224 PolarHBondContact O-N 3.1Å; I164-F224 CarbonylContact C-O 3.5Å; I164-F224 WeakPolarHBondContact CA-O 3.32Å; N165-F224 PolarHBondContact N-O 2.9Å; Y200-F224 HydrophobicContact CD1-CZ 4.3Å; Y200-F224 HydrophobicContact CD2-CD2 4.42Å; Y200-F224 AromaticContact CD2-CE2 3.66Å; Y200-F224 HydrophobicContact CD2-CE2 3.66Å; Y200-F224 HydrophobicContact CD2-CZ 4.1Å; Y200-F224 HydrophobicContact CE1-CE2 4.27Å; Y200-F224 AromaticContact CE1-CZ 3.71Å; Y200-F224 HydrophobicContact CE1-CZ 3.71Å; Y200-F224 AromaticContact CE2-CD2 4Å; Y200-F224 HydrophobicContact CE2-CD2 4Å; Y200-F224 HydrophobicContact CE2-CE1 4.28Å; Y200-F224 AromaticContact CE2-CE2 3.38Å; Y200-F224 HydrophobicContact CE2-CE2 3.38Å; Y200-F224 AromaticContact CE2-CZ 3.52Å; Y200-F224 HydrophobicContact CE2-CZ 3.52Å; Y200-F224 HydrophobicContact CG-CE2 4.25Å; Y200-F224 HydrophobicContact CG-CZ 4.47Å; Y200-F224 AromaticContact CZ-CE1 3.89Å; Y200-F224 AromaticContact CZ-CE2 3.71Å; Y200-F224 AromaticContact CZ-CZ 3.29Å; Y200-F224 WeakPolarHBondContact O-CE2 3.31Å; Y200-F224 WeakPolarHBondContact OH-CZ 3.31Å; L203-F224 HydrophobicContact CB-CE2 4.33Å; L203-F224 HydrophobicContact CD2-CD2 3.87Å; L203-F224 HydrophobicContact CD2-CE2 4.23Å; L203-F224 HydrophobicContact CG-CD2 3.94Å; L203-F224 HydrophobicContact CG-CE2 4.18Å; K204-F224 HydrophobicContact CB-CE1 4.03Å; K204-F224 HydrophobicContact CB-CE2 3.85Å; K204-F224 HydrophobicContact CB-CZ 3.36Å; K204-F224 HydrophobicContact CD-CE1 4.08Å; K204-F224 HydrophobicContact CD-CZ 3.99Å; K204-F224 HydrophobicContact CG-CE1 3.74Å; K204-F224 HydrophobicContact CG-CE2 4.47Å; K204-F224 HydrophobicContact CG-CZ 3.6Å; I207-F224 HydrophobicContact CD1-CB 3.52Å; I207-F224 HydrophobicContact CD1-CD2 3.68Å; I207-F224 HydrophobicContact CD1-CG 3.78Å; T216-F224 WeakPolarHBondContact O-CD1 3.49Å; T216-F224 WeakPolarHBondContact O-CE1 3.36Å; V218-F224 HydrophobicContact CG1-CD1 4.15Å; V218-F224 HydrophobicContact CG1-CE1 4.18Å; F224-P226 VanDerWaalsContact O-CD 3.22Å; F224-P226 WeakPolarHBondContact O-CD 3.46Å |
| 225 | A | 96.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | trans | -117 | 63.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A170 N217 | A170-A225 HydrophobicContact CB-CB 3.77Å; N217-A225 PolarHBondContact O-N 2.96Å | ||
| 226 | P | 95 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -63.2 | 147.8 | 176.7 | 29.8 | -34.3 | 0 | 0 | 0 | 110.3 | I164 N172 I207 Y211 A215 F224 I228 L237 | I164-P226 HydrophobicContact CG2-CG 4.12Å; N172-P226 VanDerWaalsContact CB-O 3.23Å; N172-P226 WeakPolarHBondContact CB-O 3.48Å; N172-P226 PolarHBondContact ND2-O 2.94Å; I207-P226 HydrophobicContact CD1-CG 4.26Å; I207-P226 HydrophobicContact CG2-CB 4.13Å; Y211-P226 HydrophobicContact CD2-CB 4.15Å; Y211-P226 HydrophobicContact CE2-CB 4.39Å; A215-P226 HydrophobicContact CB-CB 4.42Å; F224-P226 VanDerWaalsContact O-CD 3.22Å; F224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-I228 HydrophobicContact CB-CG2 4.3Å; P226-I228 HydrophobicContact CG-CD1 3.98Å; P226-I228 HydrophobicContact CG-CG1 4.12Å; P226-I228 PolarHBondContact O-N 2.83Å; P226-L237 HydrophobicContact CG-CD1 4.45Å | ||
| 227 | N | 91.8 | Very high | 95.3 | Very high | 120 Ų | 120 | 35.5 Ų | 35.5 | 64% | 0.642 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -79.4 | 68.9 | 179.1 | -170.9 | 33.5 | 0 | 0 | 0 | 111.2 | ||
| 228 | I | 92.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | trans | -111.4 | 151.5 | 176.4 | 60 | 177.5 | 0 | 0 | 0 | 109.6 | K173 L174 Y211 P226 E233 A234 L237 | K173-I228 CarbonylContact C-O 3.56Å; L174-I228 WeakPolarHBondContact CA-O 3.43Å; L174-I228 HydrophobicContact CB-CG1 4.3Å; L174-I228 HydrophobicContact CD1-CD1 4.25Å; L174-I228 HydrophobicContact CD1-CG1 4.19Å; L174-I228 HydrophobicContact CD2-CD1 4.07Å; L174-I228 HydrophobicContact CD2-CG1 4.17Å; L174-I228 HydrophobicContact CG-CG1 4.49Å; L174-I228 PolarHBondContact N-O 2.98Å; Y211-I228 HydrophobicContact CE1-CG2 3.7Å; Y211-I228 HydrophobicContact CE2-CG2 4.22Å; Y211-I228 WeakPolarHBondContact OH-CG2 3.43Å; P226-I228 HydrophobicContact CB-CG2 4.3Å; P226-I228 HydrophobicContact CG-CD1 3.98Å; P226-I228 HydrophobicContact CG-CG1 4.12Å; P226-I228 PolarHBondContact O-N 2.83Å; I228-E233 HydrophobicContact CG2-CG 4.07Å; I228-E233 WeakPolarHBondContact CG2-OE2 3.38Å; I228-A234 HydrophobicContact CD1-CB 3.72Å; I228-L237 HydrophobicContact CD1-CD1 4.26Å | ||
| 229 | L | 91.4 | Very high | 95.5 | Very high | 56 Ų | 56 | 31.2 Ų | 31.2 | 29% | 0.293 | 16% | 0.161 | S | C | . | . | trans | -105.1 | -47.1 | 174.9 | 173.2 | 63.4 | 0 | 0 | 0 | 110.5 | K173 N231 D271 | K173-L229 HydrophobicContact CB-CB 4.08Å; K173-L229 HydrophobicContact CB-CD1 3.81Å; K173-L229 HydrophobicContact CD-CD1 4.41Å; L229-N231 PolarHBondContact O-N 3.34Å; L229-D271 HydrophobicContact CD1-CB 3.87Å; L229-D271 WeakPolarHBondContact CD1-OD1 3.23Å | ||
| 230 | E | 93.3 | Very high | 95.8 | Very high | 117 Ų | 117 | 33.1 Ų | 33.1 | 55% | 0.547 | 17% | 0.171 | S | C | . | . | trans | -74.5 | 122.3 | -173.9 | -62.5 | -58.4 | 148.1 | 0 | 0 | 112 | N232 E233 | E230-N232 PolarHBondContact O-N 3.05Å; E230-E233 HydrophobicContact CB-CB 4.2Å; E230-E233 VanDerWaalsContact O-CB 3.29Å; E230-E233 WeakPolarHBondContact O-CB 3.28Å; E230-E233 PolarHBondContact O-N 2.88Å | ||
| 231 | N | 92 | Very high | 96.2 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -31.3 | 177.8 | -57.1 | -68.4 | 0 | 0 | 0 | 112.4 | L174 M176 F179 L229 E233 A234 L235 F294 | L174-N231 HydrophobicContact CD1-CB 4.37Å; L174-N231 VanDerWaalsContact CD1-OD1 3.24Å; L174-N231 WeakPolarHBondContact CD1-OD1 3.5Å; M176-N231 WeakPolarHBondContact CB-OD1 3.49Å; M176-N231 HydrophobicContact CE-CB 4.07Å; M176-N231 HydrophobicContact CG-CB 4.43Å; M176-N231 WeakPolarHBondContact CG-OD1 3.18Å; M176-N231 PolarHBondContact N-OD1 2.95Å; M176-N231 HydrophobicContact SD-CB 3.67Å; F179-N231 HydrophobicContact CE1-CB 4.44Å; F179-N231 HydrophobicContact CZ-CB 4Å; L229-N231 PolarHBondContact O-N 3.34Å; N231-E233 PolarHBondContact O-N 3.31Å; N231-A234 WeakPolarHBondContact O-CB 3.19Å; N231-A234 PolarHBondContact O-N 3.28Å; N231-L235 PolarHBondContact O-N 2.87Å; N231-F294 HydrophobicContact CB-CE2 4.07Å; N231-F294 HydrophobicContact CB-CZ 3.86Å |
| 232 | N | 95.1 | Very high | 96.3 | Very high | 63 Ų | 63 | 30.9 Ų | 30.9 | 34% | 0.337 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.4 | -32.8 | 174.7 | -162.3 | 72 | 0 | 0 | 0 | 112.5 | E230 A234 L235 E236 F294 Y298 | E230-N232 PolarHBondContact O-N 3.05Å; N232-A234 VanDerWaalsContact C-N 3.33Å; N232-L235 PolarHBondContact O-N 3.48Å; N232-E236 PolarHBondContact O-N 3.3Å; N232-F294 HydrophobicContact CB-CE1 4.09Å; N232-Y298 PolarHBondContact ND2-OH 2.92Å; N232-Y298 WeakPolarHBondContact OD1-CE2 3.33Å; N232-Y298 PolarHBondContact OD1-OH 3.07Å |
| 233 | E | 96.8 | Very high | 96.4 | Very high | 53 Ų | 53 | 36 Ų | 36 | 25% | 0.248 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.1 | -35.4 | 178.7 | -172.6 | 167 | -155 | 0 | 0 | 111.5 | K210 Y211 I228 E230 N231 E236 L237 | K210-E233 WeakPolarHBondContact CE-OE1 3.46Å; K210-E233 IonicContact NZ-OE1 2.7Å; K210-E233 PolarHBondContact NZ-OE1 3.45Å; Y211-E233 VanDerWaalsContact OH-CG 3.31Å; Y211-E233 WeakPolarHBondContact OH-CG 3.3Å; Y211-E233 PolarHBondContact OH-OE1 2.94Å; I228-E233 HydrophobicContact CG2-CG 4.07Å; I228-E233 WeakPolarHBondContact CG2-OE2 3.38Å; E230-E233 HydrophobicContact CB-CB 4.2Å; E230-E233 VanDerWaalsContact O-CB 3.29Å; E230-E233 WeakPolarHBondContact O-CB 3.28Å; E230-E233 PolarHBondContact O-N 2.88Å; N231-E233 PolarHBondContact O-N 3.31Å; E233-E236 PolarHBondContact O-N 2.96Å; E233-L237 VanDerWaalsContact O-CG 3.28Å; E233-L237 WeakPolarHBondContact O-CG 3.5Å; E233-L237 PolarHBondContact O-N 3.07Å |
| 234 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I164 L174 F179 I228 N231 N232 E236 L237 L238 | I164-A234 HydrophobicContact CD1-CB 4.13Å; I164-A234 HydrophobicContact CG2-CB 4.45Å; L174-A234 HydrophobicContact CD1-CB 4.47Å; L174-A234 HydrophobicContact CD2-CB 4.31Å; F179-A234 HydrophobicContact CD1-CB 3.75Å; F179-A234 HydrophobicContact CD2-CB 4Å; F179-A234 HydrophobicContact CE1-CB 3.62Å; F179-A234 HydrophobicContact CE2-CB 3.92Å; F179-A234 HydrophobicContact CG-CB 3.93Å; F179-A234 HydrophobicContact CZ-CB 3.71Å; I228-A234 HydrophobicContact CD1-CB 3.72Å; N231-A234 WeakPolarHBondContact O-CB 3.19Å; N231-A234 PolarHBondContact O-N 3.28Å; N232-A234 VanDerWaalsContact C-N 3.33Å; A234-E236 VanDerWaalsContact C-N 3.35Å; A234-E236 PolarHBondContact O-N 3.02Å; A234-L237 WeakPolarHBondContact O-CB 3.47Å; A234-L237 PolarHBondContact O-N 2.79Å; A234-L238 WeakPolarHBondContact O-CG 3.46Å; A234-L238 PolarHBondContact O-N 3.31Å |
| 235 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.5 | -66.1 | 173 | 0 | 0 | 0 | 112.4 | F179 N231 N232 L238 K239 I253 M255 F294 Y298 V300 | F179-L235 HydrophobicContact CD1-CD2 3.85Å; F179-L235 HydrophobicContact CD1-CG 4.17Å; F179-L235 HydrophobicContact CE1-CD2 4.19Å; F179-L235 HydrophobicContact CE1-CG 4.07Å; N231-L235 PolarHBondContact O-N 2.87Å; N232-L235 PolarHBondContact O-N 3.48Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-K239 WeakPolarHBondContact O-CB 3.26Å; L235-K239 PolarHBondContact O-N 2.98Å; L235-I253 HydrophobicContact CD2-CD1 4.19Å; L235-I253 HydrophobicContact CD2-CG2 3.81Å; L235-M255 HydrophobicContact CD1-SD 4.36Å; L235-M255 HydrophobicContact CD2-SD 4.1Å; L235-F294 HydrophobicContact CD1-CB 3.79Å; L235-F294 HydrophobicContact CD1-CD1 3.75Å; L235-F294 HydrophobicContact CD1-CD2 3.9Å; L235-F294 HydrophobicContact CD1-CE1 4.29Å; L235-F294 HydrophobicContact CD1-CE2 4.41Å; L235-F294 HydrophobicContact CD1-CG 3.55Å; L235-Y298 HydrophobicContact CB-CD1 3.8Å; L235-Y298 HydrophobicContact CB-CD2 3.89Å; L235-Y298 HydrophobicContact CB-CE1 3.84Å; L235-Y298 HydrophobicContact CB-CE2 3.93Å; L235-Y298 HydrophobicContact CB-CG 3.84Å; L235-Y298 HydrophobicContact CD1-CD2 3.54Å; L235-Y298 HydrophobicContact CD1-CE2 3.89Å; L235-Y298 HydrophobicContact CD1-CG 4.11Å; L235-Y298 HydrophobicContact CG-CD2 4.27Å; L235-Y298 HydrophobicContact CG-CG 4.43Å; L235-V300 HydrophobicContact CD2-CG2 4.03Å |
| 236 | E | 98.2 | Very high | 96.5 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.4 | -36.6 | 175 | -74.3 | -57.5 | 172 | 0 | 0 | 113.7 | N232 E233 A234 L238 K239 T240 Y298 | N232-E236 PolarHBondContact O-N 3.3Å; E233-E236 PolarHBondContact O-N 2.96Å; A234-E236 VanDerWaalsContact C-N 3.35Å; A234-E236 PolarHBondContact O-N 3.02Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-K239 PolarHBondContact O-N 2.81Å; E236-T240 WeakPolarHBondContact O-CB 3.43Å; E236-T240 PolarHBondContact O-N 3.02Å; E236-T240 PolarHBondContact O-OG1 3.49Å; E236-Y298 VanDerWaalsContact CD-CE1 3.44Å; E236-Y298 HydrophobicContact CG-CE1 4.04Å; E236-Y298 WeakPolarHBondContact CG-OH 3.33Å; E236-Y298 VanDerWaalsContact OE1-CE1 3.26Å; E236-Y298 WeakPolarHBondContact OE1-CE1 3.37Å; E236-Y298 VanDerWaalsContact OE1-CZ 3.3Å; E236-Y298 PolarHBondContact OE1-OH 3.43Å |
| 237 | L | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 173.2 | -68.3 | 168.3 | 0 | 0 | 0 | 110.9 | I164 L203 V206 I207 K210 Y211 P226 I228 E233 A234 A241 | I164-L237 HydrophobicContact CD1-CB 4.15Å; I164-L237 HydrophobicContact CD1-CD1 4.41Å; L203-L237 HydrophobicContact CD1-CB 3.98Å; V206-L237 HydrophobicContact CG1-CD2 3.7Å; I207-L237 HydrophobicContact CG1-CD1 4.34Å; K210-L237 HydrophobicContact CD-CD2 4.2Å; Y211-L237 HydrophobicContact CE2-CD1 3.79Å; Y211-L237 HydrophobicContact CE2-CD2 3.9Å; Y211-L237 HydrophobicContact CE2-CG 4.45Å; P226-L237 HydrophobicContact CG-CD1 4.45Å; I228-L237 HydrophobicContact CD1-CD1 4.26Å; E233-L237 VanDerWaalsContact O-CG 3.28Å; E233-L237 WeakPolarHBondContact O-CG 3.5Å; E233-L237 PolarHBondContact O-N 3.07Å; A234-L237 WeakPolarHBondContact O-CB 3.47Å; A234-L237 PolarHBondContact O-N 2.79Å; L237-A241 WeakPolarHBondContact O-CB 3.39Å; L237-A241 PolarHBondContact O-N 2.97Å |
| 238 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -49.7 | 176 | -67.6 | -167.8 | 0 | 0 | 0 | 112 | V163 I164 F179 I181 L203 A234 L235 E236 T240 A241 I242 I253 | V163-L238 HydrophobicContact CG2-CD1 4.38Å; V163-L238 HydrophobicContact CG2-CD2 3.45Å; V163-L238 VanDerWaalsContact CG2-CD2 3.45Å; I164-L238 HydrophobicContact CD1-CD2 3.71Å; I164-L238 HydrophobicContact CD1-CG 3.97Å; I164-L238 HydrophobicContact CG1-CD2 4.01Å; F179-L238 HydrophobicContact CB-CD1 3.79Å; I181-L238 HydrophobicContact CG2-CD1 4.26Å; I181-L238 HydrophobicContact CG2-CD2 4.39Å; L203-L238 HydrophobicContact CD1-CD2 4.11Å; L203-L238 HydrophobicContact CD2-CD2 3.65Å; L203-L238 HydrophobicContact CG-CD2 4.5Å; A234-L238 WeakPolarHBondContact O-CG 3.46Å; A234-L238 PolarHBondContact O-N 3.31Å; L235-L238 PolarHBondContact O-N 2.88Å; E236-L238 VanDerWaalsContact C-N 3.32Å; L238-T240 VanDerWaalsContact C-N 3.31Å; L238-T240 PolarHBondContact O-N 2.87Å; L238-A241 PolarHBondContact O-N 3.03Å; L238-A241 VanDerWaalsContact O-N 3.1Å; L238-I242 WeakPolarHBondContact O-CB 3.42Å; L238-I242 WeakPolarHBondContact O-CD1 3.4Å; L238-I242 WeakPolarHBondContact O-CG1 3.48Å; L238-I242 PolarHBondContact O-N 2.95Å; L238-I253 HydrophobicContact CB-CD1 4.02Å; L238-I253 HydrophobicContact CD1-CD1 4.19Å; L238-I253 HydrophobicContact CD1-CG1 4.35Å; L238-I253 HydrophobicContact CD1-CG2 4.24Å |
| 239 | K | 98.1 | Very high | 97.1 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.4 | -49.4 | 177.2 | -178.6 | -178.6 | 172.8 | -173.8 | 0 | 111.3 | L235 E236 A241 I242 E243 Y298 | L235-K239 WeakPolarHBondContact O-CB 3.26Å; L235-K239 PolarHBondContact O-N 2.98Å; E236-K239 PolarHBondContact O-N 2.81Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.87Å; K239-I242 PolarHBondContact O-N 2.68Å; K239-E243 WeakPolarHBondContact CE-OE1 3.12Å; K239-E243 WeakPolarHBondContact O-CB 3.45Å; K239-E243 WeakPolarHBondContact O-CG 3.37Å; K239-E243 PolarHBondContact O-N 2.84Å; K239-Y298 HydrophobicContact CD-CD1 4.38Å; K239-Y298 HydrophobicContact CD-CE1 4.38Å |
| 240 | T | 98.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 177.2 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | V206 E236 L238 K244 | V206-T240 HydrophobicContact CG1-CG2 4.18Å; V206-T240 HydrophobicContact CG2-CG2 4.03Å; E236-T240 WeakPolarHBondContact O-CB 3.43Å; E236-T240 PolarHBondContact O-N 3.02Å; E236-T240 PolarHBondContact O-OG1 3.49Å; L238-T240 VanDerWaalsContact C-N 3.31Å; L238-T240 PolarHBondContact O-N 2.87Å; T240-K244 HydrophobicContact CG2-CD 4.25Å; T240-K244 WeakPolarHBondContact O-CB 3.48Å; T240-K244 VanDerWaalsContact O-CG 3.3Å; T240-K244 WeakPolarHBondContact O-CG 3.41Å; T240-K244 PolarHBondContact O-N 3.46Å |
| 241 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | V199 L203 L237 L238 K239 K244 A245 | V199-A241 HydrophobicContact CG1-CB 4.22Å; L203-A241 HydrophobicContact CB-CB 3.67Å; L203-A241 HydrophobicContact CD1-CB 3.94Å; L203-A241 HydrophobicContact CG-CB 4.4Å; L237-A241 WeakPolarHBondContact O-CB 3.39Å; L237-A241 PolarHBondContact O-N 2.97Å; L238-A241 PolarHBondContact O-N 3.03Å; L238-A241 VanDerWaalsContact O-N 3.1Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.87Å; A241-K244 PolarHBondContact O-N 3.32Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 2.87Å |
| 242 | I | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.2 | -68.7 | 163.1 | 0 | 0 | 0 | 110.3 | I181 V199 L238 K239 A245 G246 Y247 I251 I253 | I181-I242 HydrophobicContact CG2-CD1 4.15Å; I181-I242 HydrophobicContact CG2-CG1 4.48Å; V199-I242 HydrophobicContact CG1-CG1 3.89Å; V199-I242 HydrophobicContact CG2-CG1 4.47Å; L238-I242 WeakPolarHBondContact O-CB 3.42Å; L238-I242 WeakPolarHBondContact O-CD1 3.4Å; L238-I242 WeakPolarHBondContact O-CG1 3.48Å; L238-I242 PolarHBondContact O-N 2.95Å; K239-I242 PolarHBondContact O-N 2.68Å; I242-A245 PolarHBondContact O-N 2.87Å; I242-G246 PolarHBondContact O-N 3.43Å; I242-Y247 WeakPolarHBondContact CG2-O 3.35Å; I242-Y247 PolarHBondContact O-N 3.06Å; I242-Y247 VanDerWaalsContact O-N 3.13Å; I242-I251 HydrophobicContact CD1-CB 4.33Å; I242-I251 HydrophobicContact CD1-CG2 3.66Å; I242-I251 HydrophobicContact CG1-CB 4.48Å; I242-I251 HydrophobicContact CG1-CD1 4.12Å; I242-I251 HydrophobicContact CG1-CG2 4.11Å; I242-I251 HydrophobicContact CG2-CB 4.26Å; I242-I251 HydrophobicContact CG2-CD1 4.27Å; I242-I253 HydrophobicContact CD1-CD1 4.41Å; I242-I253 HydrophobicContact CD1-CG1 4.32Å |
| 243 | E | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 43.5 Ų | 43.5 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.6 | -73.9 | 172.7 | -177.2 | 0 | 0 | 111.4 | K239 A245 G246 | K239-E243 WeakPolarHBondContact CE-OE1 3.12Å; K239-E243 WeakPolarHBondContact O-CB 3.45Å; K239-E243 WeakPolarHBondContact O-CG 3.37Å; K239-E243 PolarHBondContact O-N 2.84Å; E243-A245 VanDerWaalsContact C-N 3.29Å; E243-A245 PolarHBondContact O-N 3.29Å; E243-G246 PolarHBondContact O-N 3.28Å |
| 244 | K | 98.5 | Very high | 98.3 | Very high | 134 Ų | 134 | 41 Ų | 41 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.6 | -32.5 | 178.2 | -77.8 | -176.2 | 177.6 | -168.5 | 0 | 113.7 | V206 T240 A241 | V206-K244 HydrophobicContact CG2-CD 3.76Å; T240-K244 HydrophobicContact CG2-CD 4.25Å; T240-K244 WeakPolarHBondContact O-CB 3.48Å; T240-K244 VanDerWaalsContact O-CG 3.3Å; T240-K244 WeakPolarHBondContact O-CG 3.41Å; T240-K244 PolarHBondContact O-N 3.46Å; A241-K244 PolarHBondContact O-N 3.32Å |
| 245 | A | 98.5 | Very high | 98.3 | Very high | 16 Ų | 16 | 41 Ų | 41 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -77 | -11.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | V199 N202 A241 I242 E243 Y247 | V199-A245 HydrophobicContact CB-CB 4.44Å; V199-A245 HydrophobicContact CG2-CB 3.58Å; N202-A245 HydrophobicContact CB-CB 4.43Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 2.87Å; I242-A245 PolarHBondContact O-N 2.87Å; E243-A245 VanDerWaalsContact C-N 3.29Å; E243-A245 PolarHBondContact O-N 3.29Å; A245-Y247 HydrophobicContact CB-CD2 3.68Å; A245-Y247 HydrophobicContact CB-CE2 4.07Å; A245-Y247 WeakPolarHBondContact O-CD2 3.38Å; A245-Y247 VanDerWaalsContact O-CE2 3.27Å; A245-Y247 WeakPolarHBondContact O-CE2 3.19Å |
| 246 | G | 98.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 41 Ų | 41 | 55% | 0.546 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 25.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I242 E243 | I242-G246 PolarHBondContact O-N 3.43Å; E243-G246 PolarHBondContact O-N 3.28Å |
| 247 | Y | 98.3 | Very high | 98.4 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 13% | 0.125 | 20% | 0.203 | C | C | . | . | trans | -121.1 | 34.8 | -177.2 | -57.5 | -58.9 | 0 | 0 | 0 | 116.2 | I195 E198 V199 I242 A245 D249 K250 | I195-Y247 HydrophobicContact CB-CD2 4.46Å; I195-Y247 HydrophobicContact CB-CE2 4.41Å; I195-Y247 HydrophobicContact CD1-CD1 4.27Å; I195-Y247 HydrophobicContact CD1-CE1 4.25Å; I195-Y247 HydrophobicContact CG1-CD1 4.1Å; I195-Y247 HydrophobicContact CG1-CD2 4.41Å; I195-Y247 HydrophobicContact CG1-CE1 3.82Å; I195-Y247 HydrophobicContact CG1-CE2 4.16Å; I195-Y247 HydrophobicContact CG1-CG 4.39Å; I195-Y247 HydrophobicContact CG2-CD1 4.39Å; I195-Y247 HydrophobicContact CG2-CD2 3.83Å; I195-Y247 HydrophobicContact CG2-CE2 4.26Å; I195-Y247 HydrophobicContact CG2-CG 3.9Å; E198-Y247 HydrophobicContact CB-CE2 4.15Å; E198-Y247 WeakPolarHBondContact OE2-CE2 3.37Å; E198-Y247 VanDerWaalsContact OE2-CZ 3.26Å; E198-Y247 PolarHBondContact OE2-OH 3.07Å; V199-Y247 HydrophobicContact CG2-CD2 4.03Å; I242-Y247 WeakPolarHBondContact CG2-O 3.35Å; I242-Y247 PolarHBondContact O-N 3.06Å; I242-Y247 VanDerWaalsContact O-N 3.13Å; A245-Y247 HydrophobicContact CB-CD2 3.68Å; A245-Y247 HydrophobicContact CB-CE2 4.07Å; A245-Y247 WeakPolarHBondContact O-CD2 3.38Å; A245-Y247 VanDerWaalsContact O-CE2 3.27Å; A245-Y247 WeakPolarHBondContact O-CE2 3.19Å; Y247-D249 PolarHBondContact O-N 2.65Å; Y247-K250 HydrophobicContact CD1-CD 4.17Å; Y247-K250 PolarHBondContact O-N 2.92Å; Y247-K250 VanDerWaalsContact O-N 3.17Å | ||
| 248 | P | 96.9 | Very high | 98.3 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.4 | -176.4 | 27.9 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 249 | D | 96.9 | Very high | 98.3 | Very high | 151 Ų | 151 | 37.6 Ų | 37.6 | 81% | 0.807 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -2.3 | -177.2 | -54.8 | -52.6 | 0 | 0 | 0 | 113.9 | Y247 | Y247-D249 PolarHBondContact O-N 2.65Š|
| 250 | K | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -14.2 | -176.1 | -71 | -164.9 | 173.2 | -177.3 | 0 | 114.2 | P183 V184 G185 E191 I195 Y247 | P183-K250 CarbonylContact C-O 3.26Å; P183-K250 VanDerWaalsContact C-O 3.28Å; P183-K250 WeakPolarHBondContact CA-O 3.38Å; V184-K250 PolarHBondContact N-O 3.05Å; V184-K250 VanDerWaalsContact N-O 3.13Å; G185-K250 PolarHBondContact N-O 3.08Å; E191-K250 IonicContact OE1-NZ 2.78Å; E191-K250 PolarHBondContact OE1-NZ 2.81Å; I195-K250 HydrophobicContact CD1-CD 3.66Å; Y247-K250 HydrophobicContact CD1-CD 4.17Å; Y247-K250 PolarHBondContact O-N 2.92Å; Y247-K250 VanDerWaalsContact O-N 3.17Å |
| 251 | I | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -120 | 134.5 | -171.8 | -65.6 | 175 | 0 | 0 | 0 | 110.6 | I181 L182 P183 I195 V199 I242 | I181-I251 HydrophobicContact CB-CG2 3.83Å; I181-I251 HydrophobicContact CG2-CG2 4.12Å; L182-I251 WeakPolarHBondContact O-CA 2.89Å; P183-I251 HydrophobicContact CB-CG1 4.31Å; I195-I251 HydrophobicContact CG2-CD1 3.61Å; I195-I251 HydrophobicContact CG2-CG1 3.9Å; V199-I251 HydrophobicContact CB-CD1 4.42Å; V199-I251 HydrophobicContact CG2-CD1 3.47Å; V199-I251 VanDerWaalsContact CG2-CD1 3.47Å; I242-I251 HydrophobicContact CD1-CB 4.33Å; I242-I251 HydrophobicContact CD1-CG2 3.66Å; I242-I251 HydrophobicContact CG1-CB 4.48Å; I242-I251 HydrophobicContact CG1-CD1 4.12Å; I242-I251 HydrophobicContact CG1-CG2 4.11Å; I242-I251 HydrophobicContact CG2-CB 4.26Å; I242-I251 HydrophobicContact CG2-CD1 4.27Å | ||
| 252 | I | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 163.3 | 162.2 | 64.9 | 176.6 | 0 | 0 | 0 | 109 | L182 V184 P299 Q301 F439 | L182-I252 HydrophobicContact CB-CD1 4.21Å; L182-I252 HydrophobicContact CB-CG1 3.67Å; L182-I252 HydrophobicContact CD2-CD1 4.29Å; L182-I252 HydrophobicContact CG-CG1 4.47Å; L182-I252 PolarHBondContact N-O 3.43Å; L182-I252 PolarHBondContact O-N 2.91Å; V184-I252 HydrophobicContact CG1-CD1 3.52Å; V184-I252 HydrophobicContact CG1-CG1 3.87Å; V184-I252 HydrophobicContact CG2-CD1 4.28Å; V184-I252 HydrophobicContact CG2-CG1 4.12Å; V184-I252 HydrophobicContact CG2-CG2 3.82Å; I252-P299 WeakPolarHBondContact CA-O 3.35Å; I252-Q301 HydrophobicContact CB-CB 4.01Å; I252-Q301 HydrophobicContact CB-CG 3.88Å; I252-Q301 HydrophobicContact CD1-CB 3.65Å; I252-Q301 HydrophobicContact CD1-CG 4.27Å; I252-Q301 HydrophobicContact CG1-CB 4.24Å; I252-Q301 HydrophobicContact CG2-CB 4.37Å; I252-Q301 HydrophobicContact CG2-CG 3.82Å; I252-F439 HydrophobicContact CD1-CE1 3.73Å; I252-F439 HydrophobicContact CD1-CZ 3.89Å |
| 253 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.6 | 177 | -65.6 | 173.4 | 0 | 0 | 0 | 109.6 | M180 L235 L238 I242 M255 P299 V300 Q301 | M180-I253 VanDerWaalsContact O-CA 3.32Å; M180-I253 WeakPolarHBondContact O-CA 3.41Å; M180-I253 WeakPolarHBondContact O-CG2 3.48Å; L235-I253 HydrophobicContact CD2-CD1 4.19Å; L235-I253 HydrophobicContact CD2-CG2 3.81Å; L238-I253 HydrophobicContact CB-CD1 4.02Å; L238-I253 HydrophobicContact CD1-CD1 4.19Å; L238-I253 HydrophobicContact CD1-CG1 4.35Å; L238-I253 HydrophobicContact CD1-CG2 4.24Å; I242-I253 HydrophobicContact CD1-CD1 4.41Å; I242-I253 HydrophobicContact CD1-CG1 4.32Å; I253-M255 HydrophobicContact CG2-CG 4.31Å; I253-P299 HydrophobicContact CD1-CG 4.17Å; I253-P299 HydrophobicContact CG1-CG 4.24Å; I253-P299 PolarHBondContact N-O 3.12Å; I253-V300 HydrophobicContact CB-CG2 4.09Å; I253-V300 HydrophobicContact CG2-CG2 3.95Å; I253-V300 WeakPolarHBondContact O-CA 3.44Å; I253-Q301 PolarHBondContact O-N 3.49Å |
| 254 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 154.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | M180 S302 | M180-G254 WeakPolarHBondContact CA-O 3.41Å; M180-G254 PolarHBondContact N-O 3.17Å; M180-G254 PolarHBondContact O-N 2.93Å; G254-S302 CarbonylContact C-O 3.4Å; G254-S302 VanDerWaalsContact CA-O 3.28Å; G254-S302 WeakPolarHBondContact CA-O 3.42Å |
| 255 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.6 | 175 | -61.6 | 174.3 | 61.1 | 0 | 0 | 109.1 | M176 E178 F179 L235 I253 F294 V300 S302 I303 E304 | M176-M255 HydrophobicContact SD-CE 3.28Å; M176-M255 WeakPolarHBondContact SD-CE 3.33Å; E178-M255 WeakPolarHBondContact O-CA 3.38Å; F179-M255 HydrophobicContact CD1-CE 4.25Å; F179-M255 HydrophobicContact CD1-CG 4.35Å; F179-M255 HydrophobicContact CE1-CE 3.67Å; F179-M255 HydrophobicContact CZ-CE 4.25Å; L235-M255 HydrophobicContact CD1-SD 4.36Å; L235-M255 HydrophobicContact CD2-SD 4.1Å; I253-M255 HydrophobicContact CG2-CG 4.31Å; M255-F294 HydrophobicContact CE-CD2 3.93Å; M255-F294 HydrophobicContact CE-CE2 4.12Å; M255-F294 HydrophobicContact SD-CD2 4.2Å; M255-V300 HydrophobicContact SD-CG1 4.13Å; M255-V300 HydrophobicContact SD-CG2 4.02Å; M255-S302 PolarHBondContact N-O 2.94Å; M255-I303 CarbonylContact O-C 3.53Å; M255-I303 WeakPolarHBondContact O-CA 3.46Å; M255-E304 WeakPolarHBondContact O-CB 3.34Å; M255-E304 PolarHBondContact O-N 2.91Å |
| 256 | D | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.2 | 157.3 | 169.4 | 23.1 | 0 | 0 | 0 | 107.6 | Q177 E178 M180 A258 E304 K405 | Q177-D256 PolarHBondContact N-O 2.98Å; Q177-D256 PolarHBondContact NE2-OD2 3.38Å; E178-D256 HydrophobicContact CB-CB 3.81Å; E178-D256 HydrophobicContact CG-CB 3.77Å; E178-D256 PolarHBondContact N-O 2.95Å; E178-D256 PolarHBondContact O-N 3.36Å; M180-D256 HydrophobicContact CE-CB 4.16Å; D256-A258 PolarHBondContact OD1-N 2.55Å; D256-E304 HydrophobicContact CB-CB 4.01Å; D256-E304 HydrophobicContact CB-CG 4.23Å; D256-K405 IonicContact OD2-NZ 2.95Å |
| 257 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -82.1 | -37.6 | -178.4 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | M176 A259 F262 Y291 I303 E304 D305 | M176-V257 HydrophobicContact CG-CG1 4.15Å; M176-V257 HydrophobicContact CG-CG2 4.36Å; M176-V257 HydrophobicContact SD-CG2 4.26Å; V257-A259 VanDerWaalsContact C-N 3.35Å; V257-A259 HydrophobicContact CG1-CB 3.78Å; V257-F262 HydrophobicContact CG1-CE1 3.89Å; V257-F262 HydrophobicContact CG1-CZ 3.43Å; V257-F262 VanDerWaalsContact CG1-CZ 3.43Å; V257-F262 WeakPolarHBondContact O-CE1 3.15Å; V257-Y291 HydrophobicContact CG1-CE1 4.46Å; V257-Y291 WeakPolarHBondContact CG1-OH 3.34Å; V257-Y291 HydrophobicContact CG2-CE1 3.84Å; V257-I303 HydrophobicContact CG2-CG2 3.89Å; V257-E304 PolarHBondContact N-O 2.73Å; V257-D305 WeakPolarHBondContact CB-O 3.49Å | ||
| 258 | A | 97.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | trans | 49.4 | 50.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q177 D256 S260 E261 | Q177-A258 HydrophobicContact CB-CB 3.8Å; Q177-A258 HydrophobicContact CG-CB 4.38Å; D256-A258 PolarHBondContact OD1-N 2.55Å; A258-S260 PolarHBondContact O-N 3.01Å; A258-S260 VanDerWaalsContact O-N 3.08Å; A258-E261 HydrophobicContact CB-CG 4.26Å; A258-E261 WeakPolarHBondContact O-CB 3.39Å; A258-E261 PolarHBondContact O-N 3.09Å | ||
| 259 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -62.3 | -22.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V257 E261 F262 F263 Y268 D305 | V257-A259 VanDerWaalsContact C-N 3.35Å; V257-A259 HydrophobicContact CG1-CB 3.78Å; A259-E261 PolarHBondContact O-N 2.94Å; A259-F262 HydrophobicContact CB-CE1 4.38Å; A259-F262 HydrophobicContact CB-CE2 3.98Å; A259-F262 HydrophobicContact CB-CZ 3.8Å; A259-F262 CarbonylContact O-C 3.57Å; A259-F262 PolarHBondContact O-N 3.31Å; A259-F263 PolarHBondContact O-N 2.89Å; A259-Y268 HydrophobicContact CB-CD1 4.12Å; A259-Y268 HydrophobicContact CB-CE1 3.84Å; A259-D305 VanDerWaalsContact CB-O 3.25Å; A259-D305 WeakPolarHBondContact CB-O 3.39Å; A259-D305 PolarHBondContact N-O 2.95Å; A259-D305 VanDerWaalsContact N-O 3.12Å |
| 260 | S | 97.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -57.1 | -33 | 172.6 | -81.4 | 0 | 0 | 0 | 0 | 113.2 | A258 F262 F263 D308 Q309 | A258-S260 PolarHBondContact O-N 3.01Å; A258-S260 VanDerWaalsContact O-N 3.08Å; S260-F262 PolarHBondContact O-N 2.97Å; S260-F263 PolarHBondContact O-N 2.85Å; S260-D308 WeakPolarHBondContact CA-OD1 3.26Å; S260-D308 WeakPolarHBondContact CB-OD1 3.39Å; S260-D308 WeakPolarHBondContact OG-CA 3.22Å; S260-D308 PolarHBondContact OG-OD1 3.32Å; S260-Q309 PolarHBondContact OG-N 2.83Å |
| 261 | E | 95.7 | Very high | 97.4 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -64 | -28.6 | -179.1 | -66.1 | -66.8 | 107.3 | 0 | 0 | 112.5 | S168 A258 A259 R264 F272 | S168-E261 PolarHBondContact OG-OE2 2.65Å; A258-E261 HydrophobicContact CB-CG 4.26Å; A258-E261 WeakPolarHBondContact O-CB 3.39Å; A258-E261 PolarHBondContact O-N 3.09Å; A259-E261 PolarHBondContact O-N 2.94Å; E261-R264 PolarHBondContact O-NH1 2.89Å; E261-R264 PolarHBondContact O-NH2 3.18Å; E261-F272 HydrophobicContact CB-CZ 4.46Å |
| 262 | F | 96.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -118.9 | 14 | -178.6 | 59.9 | -103.4 | 0 | 0 | 0 | 114.2 | A175 V257 A259 S260 Y268 D269 L270 F272 L287 | A175-F262 HydrophobicContact CB-CD1 4.35Å; A175-F262 HydrophobicContact CB-CE1 4.45Å; V257-F262 HydrophobicContact CG1-CE1 3.89Å; V257-F262 HydrophobicContact CG1-CZ 3.43Å; V257-F262 VanDerWaalsContact CG1-CZ 3.43Å; V257-F262 WeakPolarHBondContact O-CE1 3.15Å; A259-F262 HydrophobicContact CB-CE1 4.38Å; A259-F262 HydrophobicContact CB-CE2 3.98Å; A259-F262 HydrophobicContact CB-CZ 3.8Å; A259-F262 CarbonylContact O-C 3.57Å; A259-F262 PolarHBondContact O-N 3.31Å; S260-F262 PolarHBondContact O-N 2.97Å; F262-Y268 AromaticContact CD2-CD1 3.91Å; F262-Y268 HydrophobicContact CD2-CD1 3.91Å; F262-Y268 HydrophobicContact CD2-CG 4.43Å; F262-Y268 AromaticContact CE2-CD1 3.75Å; F262-Y268 HydrophobicContact CE2-CD1 3.75Å; F262-Y268 HydrophobicContact CE2-CG 4.29Å; F262-Y268 WeakPolarHBondContact O-CA 3.39Å; F262-D269 VanDerWaalsContact CB-O 3.28Å; F262-D269 WeakPolarHBondContact CB-O 3.39Å; F262-D269 PolarHBondContact O-N 3.36Å; F262-L270 HydrophobicContact CD2-CD2 4.35Å; F262-L270 HydrophobicContact CE2-CD2 3.79Å; F262-L270 HydrophobicContact CZ-CD2 4.02Å; F262-F272 HydrophobicContact CB-CB 3.79Å; F262-F272 HydrophobicContact CB-CD1 3.54Å; F262-F272 HydrophobicContact CB-CE1 4.2Å; F262-F272 HydrophobicContact CB-CG 3.71Å; F262-F272 HydrophobicContact CD1-CD1 4.28Å; F262-F272 HydrophobicContact CD1-CE1 4.24Å; F262-F272 HydrophobicContact CG-CD1 4.3Å; F262-L287 HydrophobicContact CE2-CD2 4.27Å |
| 263 | F | 97.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 32.3 Ų | 32.3 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127 | 169.2 | -175.1 | -114.7 | 0 | 0 | 0 | 110.4 | A259 S260 G266 K267 Y268 D308 | A259-F263 PolarHBondContact O-N 2.89Å; S260-F263 PolarHBondContact O-N 2.85Å; F263-G266 VanDerWaalsContact CZ-CA 3.42Å; F263-K267 CarbonylContact C-O 3.53Å; F263-K267 WeakPolarHBondContact CA-O 3.32Å; F263-K267 WeakPolarHBondContact CD2-O 3.33Å; F263-Y268 HydrophobicContact CB-CD1 4.34Å; F263-Y268 HydrophobicContact CB-CE1 4.18Å; F263-Y268 AromaticContact CD2-CD1 3.98Å; F263-Y268 HydrophobicContact CD2-CD1 3.98Å; F263-Y268 HydrophobicContact CD2-CD2 4.43Å; F263-Y268 AromaticContact CD2-CE1 3.54Å; F263-Y268 HydrophobicContact CD2-CE1 3.54Å; F263-Y268 HydrophobicContact CD2-CE2 4.02Å; F263-Y268 HydrophobicContact CD2-CG 4.41Å; F263-Y268 AromaticContact CD2-CZ 3.55Å; F263-Y268 HydrophobicContact CE2-CE1 4.36Å; F263-Y268 HydrophobicContact CE2-CE2 4.15Å; F263-Y268 AromaticContact CE2-CZ 3.91Å; F263-Y268 HydrophobicContact CG-CE1 4.29Å; F263-D308 HydrophobicContact CB-CB 3.9Å; F263-D308 HydrophobicContact CD1-CB 3.87Å; F263-D308 HydrophobicContact CD2-CB 3.84Å; F263-D308 HydrophobicContact CE1-CB 4.28Å; F263-D308 HydrophobicContact CE2-CB 4.24Å; F263-D308 HydrophobicContact CG-CB 3.61Å; F263-D308 HydrophobicContact CZ-CB 4.43Å |
| 264 | R | 96.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 114.6 | -176.9 | -60.3 | -64.3 | 178.5 | -89.6 | -4.3 | 109.1 | E261 G266 K267 D269 | E261-R264 PolarHBondContact O-NH1 2.89Å; E261-R264 PolarHBondContact O-NH2 3.18Å; R264-G266 VanDerWaalsContact C-N 3.31Å; R264-G266 PolarHBondContact O-N 3.02Å; R264-G266 VanDerWaalsContact O-N 3.16Å; R264-K267 PolarHBondContact N-O 2.99Å; R264-K267 CarbonylContact O-C 3.55Å; R264-K267 WeakPolarHBondContact O-CA 3.1Å; R264-K267 PolarHBondContact O-N 3.23Å; R264-D269 HydrophobicContact CG-CB 4.2Å |
| 265 | N | 92.8 | Very high | 96.6 | Very high | 156 Ų | 156 | 38.8 Ų | 38.8 | 83% | 0.834 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 43.9 | 170.9 | -56.1 | -43.2 | 0 | 0 | 0 | 114.6 | K267 | N265-K267 VanDerWaalsContact C-N 3.33Š|
| 266 | G | 95.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F263 R264 | F263-G266 VanDerWaalsContact CZ-CA 3.42Å; R264-G266 VanDerWaalsContact C-N 3.31Å; R264-G266 PolarHBondContact O-N 3.02Å; R264-G266 VanDerWaalsContact O-N 3.16Å |
| 267 | K | 98.2 | Very high | 96.2 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 178.9 | 179 | -65.8 | -172 | 176.4 | -173.3 | 0 | 110.9 | F263 R264 N265 H281 I282 | F263-K267 CarbonylContact C-O 3.53Å; F263-K267 WeakPolarHBondContact CA-O 3.32Å; F263-K267 WeakPolarHBondContact CD2-O 3.33Å; R264-K267 PolarHBondContact N-O 2.99Å; R264-K267 CarbonylContact O-C 3.55Å; R264-K267 WeakPolarHBondContact O-CA 3.1Å; R264-K267 PolarHBondContact O-N 3.23Å; N265-K267 VanDerWaalsContact C-N 3.33Å; K267-H281 HydrophobicContact CB-CB 3.81Å; K267-H281 HydrophobicContact CD-CB 3.83Å; K267-I282 CarbonylContact C-O 3.48Å; K267-I282 WeakPolarHBondContact CA-O 3.46Å; K267-I282 WeakPolarHBondContact CB-O 3.33Å |
| 268 | Y | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.3 | -175.2 | -62.8 | -88.6 | 0 | 0 | 0 | 111.3 | A259 F262 F263 H281 I282 L287 F307 D308 D311 | A259-Y268 HydrophobicContact CB-CD1 4.12Å; A259-Y268 HydrophobicContact CB-CE1 3.84Å; F262-Y268 AromaticContact CD2-CD1 3.91Å; F262-Y268 HydrophobicContact CD2-CD1 3.91Å; F262-Y268 HydrophobicContact CD2-CG 4.43Å; F262-Y268 AromaticContact CE2-CD1 3.75Å; F262-Y268 HydrophobicContact CE2-CD1 3.75Å; F262-Y268 HydrophobicContact CE2-CG 4.29Å; F262-Y268 WeakPolarHBondContact O-CA 3.39Å; F263-Y268 HydrophobicContact CB-CD1 4.34Å; F263-Y268 HydrophobicContact CB-CE1 4.18Å; F263-Y268 AromaticContact CD2-CD1 3.98Å; F263-Y268 HydrophobicContact CD2-CD1 3.98Å; F263-Y268 HydrophobicContact CD2-CD2 4.43Å; F263-Y268 AromaticContact CD2-CE1 3.54Å; F263-Y268 HydrophobicContact CD2-CE1 3.54Å; F263-Y268 HydrophobicContact CD2-CE2 4.02Å; F263-Y268 HydrophobicContact CD2-CG 4.41Å; F263-Y268 AromaticContact CD2-CZ 3.55Å; F263-Y268 HydrophobicContact CE2-CE1 4.36Å; F263-Y268 HydrophobicContact CE2-CE2 4.15Å; F263-Y268 AromaticContact CE2-CZ 3.91Å; F263-Y268 HydrophobicContact CG-CE1 4.29Å; Y268-H281 WeakPolarHBondContact O-CA 3.5Å; Y268-I282 PolarHBondContact N-O 2.81Å; Y268-I282 PolarHBondContact O-N 2.72Å; Y268-L287 HydrophobicContact CD1-CD2 3.65Å; Y268-L287 HydrophobicContact CD2-CD2 3.72Å; Y268-L287 HydrophobicContact CE1-CD2 4.08Å; Y268-L287 HydrophobicContact CE2-CD2 4.17Å; Y268-L287 HydrophobicContact CG-CD2 3.44Å; Y268-L287 VanDerWaalsContact CG-CD2 3.44Å; Y268-F307 HydrophobicContact CE2-CD1 4.19Å; Y268-F307 AromaticContact CZ-CD1 3.97Å; Y268-F307 WeakPolarHBondContact OH-CB 3.27Å; Y268-D308 HydrophobicContact CE1-CB 4.3Å; Y268-D308 PolarHBondContact OH-N 3.33Å; Y268-D311 WeakPolarHBondContact OH-CB 3.38Å; Y268-D311 PolarHBondContact OH-OD2 3.44Å |
| 269 | D | 97.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.011 | 31% | 0.309 | C | S | . | . | trans | -107.6 | 97.4 | -179.5 | -174.9 | 3.9 | 0 | 0 | 0 | 112.3 | F262 R264 D271 F272 R280 H281 | F262-D269 VanDerWaalsContact CB-O 3.28Å; F262-D269 WeakPolarHBondContact CB-O 3.39Å; F262-D269 PolarHBondContact O-N 3.36Å; R264-D269 HydrophobicContact CG-CB 4.2Å; D269-D271 PolarHBondContact O-N 3.35Å; D269-D271 PolarHBondContact OD1-N 2.99Å; D269-F272 HydrophobicContact CB-CB 4.14Å; D269-F272 WeakPolarHBondContact O-CB 3.35Å; D269-F272 PolarHBondContact O-N 3.48Å; D269-F272 PolarHBondContact OD1-N 2.98Å; D269-F272 WeakPolarHBondContact OD2-CA 3.33Å; D269-R280 IonicContact OD1-CZ 3.52Å; D269-R280 IonicContact OD1-NE 2.8Å; D269-R280 PolarHBondContact OD1-NE 3.03Å; D269-R280 IonicContact OD1-NH2 3.36Å; D269-R280 PolarHBondContact OD1-NH2 3.16Å; D269-R280 IonicContact OD2-CZ 3.66Å; D269-R280 IonicContact OD2-NE 3.7Å; D269-R280 PolarHBondContact OD2-NE 2.91Å; D269-R280 IonicContact OD2-NH2 2.75Å; D269-R280 PolarHBondContact OD2-NH2 3.14Å; D269-H281 IonicContact OD2-CD2 3.35Å; D269-H281 IonicContact OD2-NE2 2.87Å | ||
| 270 | L | 97.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 19% | 0.194 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 5.3 | 179.9 | -60.7 | -178.5 | 0 | 0 | 0 | 114.7 | A175 M176 F262 I282 L287 L290 | A175-L270 HydrophobicContact CB-CB 4.37Å; A175-L270 HydrophobicContact CB-CD2 4.34Å; A175-L270 WeakPolarHBondContact CB-O 3.37Å; M176-L270 HydrophobicContact CE-CD2 4.41Å; F262-L270 HydrophobicContact CD2-CD2 4.35Å; F262-L270 HydrophobicContact CE2-CD2 3.79Å; F262-L270 HydrophobicContact CZ-CD2 4.02Å; L270-I282 HydrophobicContact CD1-CD1 3.65Å; L270-I282 HydrophobicContact CG-CD1 4.06Å; L270-L287 HydrophobicContact CD2-CD1 4.12Å; L270-L290 HydrophobicContact CD1-CD2 3.62Å |
| 271 | D | 96.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | 34.1 | 171.5 | -174.7 | 30.1 | 0 | 0 | 0 | 110.9 | L229 D269 K273 S274 R280 | L229-D271 HydrophobicContact CD1-CB 3.87Å; L229-D271 WeakPolarHBondContact CD1-OD1 3.23Å; D269-D271 PolarHBondContact O-N 3.35Å; D269-D271 PolarHBondContact OD1-N 2.99Å; D271-K273 PolarHBondContact O-N 2.81Å; D271-S274 VanDerWaalsContact CG-CB 3.47Å; D271-S274 WeakPolarHBondContact O-CB 3.38Å; D271-S274 PolarHBondContact O-N 2.96Å; D271-S274 VanDerWaalsContact OD1-CB 3.3Å; D271-S274 WeakPolarHBondContact OD1-CB 3.34Å; D271-S274 PolarHBondContact OD1-OG 2.94Å; D271-S274 VanDerWaalsContact OD2-CB 3.25Å; D271-S274 WeakPolarHBondContact OD2-CB 3.11Å; D271-S274 PolarHBondContact OD2-OG 3.5Å; D271-S274 VanDerWaalsContact OD2-OG 3.12Å; D271-R280 VanDerWaalsContact O-CZ 3.32Å; D271-R280 PolarHBondContact O-NH2 3.36Å; D271-R280 IonicContact OD2-CZ 3.97Å; D271-R280 IonicContact OD2-NH1 3.63Å; D271-R280 PolarHBondContact OD2-NH1 3.01Å |
| 272 | F | 95.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -15 | -175 | 80 | -82.9 | 0 | 0 | 0 | 116.1 | A175 E261 F262 D269 | A175-F272 HydrophobicContact CB-CD1 4.02Å; A175-F272 HydrophobicContact CB-CE1 4.11Å; E261-F272 HydrophobicContact CB-CZ 4.46Å; F262-F272 HydrophobicContact CB-CB 3.79Å; F262-F272 HydrophobicContact CB-CD1 3.54Å; F262-F272 HydrophobicContact CB-CE1 4.2Å; F262-F272 HydrophobicContact CB-CG 3.71Å; F262-F272 HydrophobicContact CD1-CD1 4.28Å; F262-F272 HydrophobicContact CD1-CE1 4.24Å; F262-F272 HydrophobicContact CG-CD1 4.3Å; D269-F272 HydrophobicContact CB-CB 4.14Å; D269-F272 WeakPolarHBondContact O-CB 3.35Å; D269-F272 PolarHBondContact O-N 3.48Å; D269-F272 PolarHBondContact OD1-N 2.98Å; D269-F272 WeakPolarHBondContact OD2-CA 3.33Å |
| 273 | K | 93.8 | Very high | 96 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -14.5 | 175.9 | -69.9 | -175.5 | -78.5 | -173.8 | 0 | 113 | G167 A170 N172 K173 L174 D271 | G167-K273 WeakPolarHBondContact O-CD 3.49Å; G167-K273 PolarHBondContact O-NZ 3.46Å; A170-K273 PolarHBondContact O-NZ 3.23Å; N172-K273 VanDerWaalsContact O-CD 3.3Å; N172-K273 WeakPolarHBondContact O-CD 3.46Å; N172-K273 WeakPolarHBondContact O-CE 3.21Å; N172-K273 PolarHBondContact O-NZ 3.06Å; N172-K273 PolarHBondContact OD1-NZ 3.08Å; K173-K273 WeakPolarHBondContact O-CE 3.45Å; L174-K273 WeakPolarHBondContact O-CE 3.5Å; L174-K273 PolarHBondContact O-NZ 3.38Å; D271-K273 PolarHBondContact O-N 2.81Å |
| 274 | S | 93.5 | Very high | 96 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -87.9 | 163.4 | 166.7 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | K173 D271 D276 | K173-S274 PolarHBondContact NZ-OG 3.39Å; D271-S274 VanDerWaalsContact CG-CB 3.47Å; D271-S274 WeakPolarHBondContact O-CB 3.38Å; D271-S274 PolarHBondContact O-N 2.96Å; D271-S274 VanDerWaalsContact OD1-CB 3.3Å; D271-S274 WeakPolarHBondContact OD1-CB 3.34Å; D271-S274 PolarHBondContact OD1-OG 2.94Å; D271-S274 VanDerWaalsContact OD2-CB 3.25Å; D271-S274 WeakPolarHBondContact OD2-CB 3.11Å; D271-S274 PolarHBondContact OD2-OG 3.5Å; D271-S274 VanDerWaalsContact OD2-OG 3.12Å; S274-D276 PolarHBondContact O-N 2.85Å |
| 275 | P | 94.4 | Very high | 96.1 | Very high | 118 Ų | 118 | 58.9 Ų | 58.9 | 77% | 0.766 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -47.8 | 137.9 | 173.1 | -28.2 | 35.9 | 0 | 0 | 0 | 111.8 | R280 | P275-R280 PolarHBondContact O-NH1 2.77Å; P275-R280 PolarHBondContact O-NH2 3.34Å |
| 276 | D | 93.1 | Very high | 96.4 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.6 | -173.8 | -174.3 | 33.3 | 0 | 0 | 0 | 111.6 | S274 H281 | S274-D276 PolarHBondContact O-N 2.85Å; D276-H281 IonicContact OD1-CE1 3.43Å; D276-H281 PolarHBondContact OD1-CE1 3.41Å; D276-H281 IonicContact OD1-NE2 3.82Å; D276-H281 PolarHBondContact OD1-NE2 3.39Å |
| 277 | D | 95.1 | Very high | 96.6 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | trans | -139.8 | 101 | 176.2 | 179.6 | -4.6 | 0 | 0 | 0 | 109.3 | S279 R280 H281 | D277-S279 VanDerWaalsContact CG-OG 3.23Å; D277-S279 PolarHBondContact O-N 2.9Å; D277-S279 VanDerWaalsContact OD1-CB 3.28Å; D277-S279 WeakPolarHBondContact OD1-CB 3.26Å; D277-S279 PolarHBondContact OD1-N 3.36Å; D277-S279 PolarHBondContact OD1-OG 2.63Å; D277-S279 PolarHBondContact OD2-OG 3.31Å; D277-R280 HydrophobicContact CB-CG 4.08Å; D277-R280 WeakPolarHBondContact O-CG 3.46Å; D277-R280 PolarHBondContact O-N 2.84Å; D277-H281 PolarHBondContact O-CD2 3.11Å; D277-H281 VanDerWaalsContact O-CD2 3.26Å; D277-H281 PolarHBondContact O-NE2 3.47Å | ||
| 278 | P | 95.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 49.7 Ų | 49.7 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.4 | -179.7 | -27.1 | 36 | 0 | 0 | 0 | 115.4 | R280 H281 | P278-R280 VanDerWaalsContact C-N 3.35Å; P278-H281 PolarHBondContact O-N 2.78Å |
| 279 | S | 95.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 53.7 Ų | 53.7 | 71% | 0.713 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -24 | 179.8 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | D277 | D277-S279 VanDerWaalsContact CG-OG 3.23Å; D277-S279 PolarHBondContact O-N 2.9Å; D277-S279 VanDerWaalsContact OD1-CB 3.28Å; D277-S279 WeakPolarHBondContact OD1-CB 3.26Å; D277-S279 PolarHBondContact OD1-N 3.36Å; D277-S279 PolarHBondContact OD1-OG 2.63Å; D277-S279 PolarHBondContact OD2-OG 3.31Å |
| 280 | R | 95.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -89.6 | -6.8 | 175 | 63 | 167.8 | -167.2 | -134.1 | -11.5 | 113.8 | D269 D271 P275 D277 P278 I282 | D269-R280 IonicContact OD1-CZ 3.52Å; D269-R280 IonicContact OD1-NE 2.8Å; D269-R280 PolarHBondContact OD1-NE 3.03Å; D269-R280 IonicContact OD1-NH2 3.36Å; D269-R280 PolarHBondContact OD1-NH2 3.16Å; D269-R280 IonicContact OD2-CZ 3.66Å; D269-R280 IonicContact OD2-NE 3.7Å; D269-R280 PolarHBondContact OD2-NE 2.91Å; D269-R280 IonicContact OD2-NH2 2.75Å; D269-R280 PolarHBondContact OD2-NH2 3.14Å; D271-R280 VanDerWaalsContact O-CZ 3.32Å; D271-R280 PolarHBondContact O-NH2 3.36Å; D271-R280 IonicContact OD2-CZ 3.97Å; D271-R280 IonicContact OD2-NH1 3.63Å; D271-R280 PolarHBondContact OD2-NH1 3.01Å; P275-R280 PolarHBondContact O-NH1 2.77Å; P275-R280 PolarHBondContact O-NH2 3.34Å; D277-R280 HydrophobicContact CB-CG 4.08Å; D277-R280 WeakPolarHBondContact O-CG 3.46Å; D277-R280 PolarHBondContact O-N 2.84Å; P278-R280 VanDerWaalsContact C-N 3.35Å; R280-I282 PolarHBondContact O-N 2.71Å |
| 281 | H | 97.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 6% | 0.06 | 30% | 0.295 | C | S | . | . | trans | -67.6 | 130.2 | -179.9 | -63.4 | 179.2 | 0 | 0 | 0 | 110.8 | K267 Y268 D269 D276 D277 P278 | K267-H281 HydrophobicContact CB-CB 3.81Å; K267-H281 HydrophobicContact CD-CB 3.83Å; Y268-H281 WeakPolarHBondContact O-CA 3.5Å; D269-H281 IonicContact OD2-CD2 3.35Å; D269-H281 IonicContact OD2-NE2 2.87Å; D276-H281 IonicContact OD1-CE1 3.43Å; D276-H281 PolarHBondContact OD1-CE1 3.41Å; D276-H281 IonicContact OD1-NE2 3.82Å; D276-H281 PolarHBondContact OD1-NE2 3.39Å; D277-H281 PolarHBondContact O-CD2 3.11Å; D277-H281 VanDerWaalsContact O-CD2 3.26Å; D277-H281 PolarHBondContact O-NE2 3.47Å; P278-H281 PolarHBondContact O-N 2.78Å | ||
| 282 | I | 98.3 | Very high | 96.8 | Very high | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -104.2 | 151.6 | -179.2 | 63.4 | 172.6 | 0 | 0 | 0 | 111.2 | K267 Y268 L270 R280 Q286 L287 | K267-I282 CarbonylContact C-O 3.48Å; K267-I282 WeakPolarHBondContact CA-O 3.46Å; K267-I282 WeakPolarHBondContact CB-O 3.33Å; Y268-I282 PolarHBondContact N-O 2.81Å; Y268-I282 PolarHBondContact O-N 2.72Å; L270-I282 HydrophobicContact CD1-CD1 3.65Å; L270-I282 HydrophobicContact CG-CD1 4.06Å; R280-I282 PolarHBondContact O-N 2.71Å; I282-Q286 HydrophobicContact CB-CB 4.02Å; I282-L287 HydrophobicContact CD1-CB 3.95Å; I282-L287 HydrophobicContact CD1-CD1 4.01Å; I282-L287 HydrophobicContact CG1-CB 4.45Å |
| 283 | S | 98.4 | Very high | 97 | Very high | 35 Ų | 35 | 58 Ų | 58 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | trans | -71.9 | 161.9 | 174.8 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | E285 Q286 L287 | S283-E285 PolarHBondContact O-N 2.93Å; S283-E285 PolarHBondContact OG-N 2.98Å; S283-Q286 PolarHBondContact O-N 2.93Å; S283-Q286 WeakPolarHBondContact OG-CG 3.46Å; S283-Q286 PolarHBondContact OG-N 2.92Å; S283-L287 WeakPolarHBondContact O-CB 3.39Å; S283-L287 PolarHBondContact O-N 2.78Å | ||
| 284 | G | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -26.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G288 F307 Q314 | G284-G288 PolarHBondContact O-N 2.9Å; G284-F307 VanDerWaalsContact O-CE1 3.27Å; G284-F307 WeakPolarHBondContact O-CE1 3.44Å; G284-Q314 VanDerWaalsContact C-NE2 3.27Å; G284-Q314 VanDerWaalsContact CA-NE2 3.31Å |
| 285 | E | 98.3 | Very high | 97.4 | Very high | 130 Ų | 130 | 56 Ų | 56 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.5 | -47.1 | 174.5 | -176.8 | 175.7 | -162.7 | 0 | 0 | 111.2 | S283 L287 G288 D289 Q314 | S283-E285 PolarHBondContact O-N 2.93Å; S283-E285 PolarHBondContact OG-N 2.98Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 2.81Å; E285-G288 PolarHBondContact O-N 2.77Å; E285-D289 PolarHBondContact O-N 2.66Å; E285-Q314 VanDerWaalsContact N-NE2 3.16Å |
| 286 | Q | 98.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62 | -38 | 175.6 | -69.8 | 174.2 | -55.7 | 0 | 0 | 111.7 | I282 S283 D289 L290 | I282-Q286 HydrophobicContact CB-CB 4.02Å; S283-Q286 PolarHBondContact O-N 2.93Å; S283-Q286 WeakPolarHBondContact OG-CG 3.46Å; S283-Q286 PolarHBondContact OG-N 2.92Å; Q286-D289 PolarHBondContact O-N 3.5Å; Q286-L290 PolarHBondContact O-N 2.98Å |
| 287 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 175.2 | -176.4 | 58.6 | 0 | 0 | 0 | 111.6 | F262 Y268 L270 I282 S283 E285 D289 L290 Y291 F307 | F262-L287 HydrophobicContact CE2-CD2 4.27Å; Y268-L287 HydrophobicContact CD1-CD2 3.65Å; Y268-L287 HydrophobicContact CD2-CD2 3.72Å; Y268-L287 HydrophobicContact CE1-CD2 4.08Å; Y268-L287 HydrophobicContact CE2-CD2 4.17Å; Y268-L287 HydrophobicContact CG-CD2 3.44Å; Y268-L287 VanDerWaalsContact CG-CD2 3.44Å; L270-L287 HydrophobicContact CD2-CD1 4.12Å; I282-L287 HydrophobicContact CD1-CB 3.95Å; I282-L287 HydrophobicContact CD1-CD1 4.01Å; I282-L287 HydrophobicContact CG1-CB 4.45Å; S283-L287 WeakPolarHBondContact O-CB 3.39Å; S283-L287 PolarHBondContact O-N 2.78Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 2.81Å; L287-D289 VanDerWaalsContact C-N 3.33Å; L287-D289 PolarHBondContact O-N 2.9Å; L287-L290 HydrophobicContact CD1-CD2 4.31Å; L287-L290 WeakPolarHBondContact O-CB 3.22Å; L287-L290 PolarHBondContact O-N 3.45Å; L287-Y291 HydrophobicContact CD1-CE1 3.85Å; L287-Y291 HydrophobicContact CD1-CE2 4.13Å; L287-Y291 VanDerWaalsContact CD1-CZ 3.5Å; L287-Y291 VanDerWaalsContact CD1-OH 3.28Å; L287-Y291 WeakPolarHBondContact CD1-OH 3.49Å; L287-Y291 HydrophobicContact CD2-CE2 4.25Å; L287-Y291 VanDerWaalsContact CD2-OH 3.27Å; L287-Y291 WeakPolarHBondContact CD2-OH 3.32Å; L287-Y291 HydrophobicContact CG-CE1 4.27Å; L287-Y291 HydrophobicContact CG-CE2 3.61Å; L287-Y291 VanDerWaalsContact CG-CZ 3.45Å; L287-Y291 VanDerWaalsContact CG-OH 3.22Å; L287-Y291 WeakPolarHBondContact CG-OH 3.39Å; L287-Y291 VanDerWaalsContact O-CD2 3.3Å; L287-Y291 WeakPolarHBondContact O-CD2 3.46Å; L287-Y291 PolarHBondContact O-N 3.06Å; L287-F307 HydrophobicContact CB-CE1 4.32Å; L287-F307 HydrophobicContact CD2-CD1 4.23Å; L287-F307 HydrophobicContact CD2-CE1 4.27Å; L287-F307 HydrophobicContact CG-CE1 4.31Å |
| 288 | G | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -39 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G284 E285 L290 Y291 R292 | G284-G288 PolarHBondContact O-N 2.9Å; E285-G288 PolarHBondContact O-N 2.77Å; G288-L290 VanDerWaalsContact C-N 3.35Å; G288-Y291 PolarHBondContact O-N 2.84Å; G288-R292 PolarHBondContact O-N 3.4Å |
| 289 | D | 98.6 | Very high | 98 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 173.2 | -79.5 | -32 | 0 | 0 | 0 | 112.2 | E285 Q286 L287 Y291 R292 S293 | E285-D289 PolarHBondContact O-N 2.66Å; Q286-D289 PolarHBondContact O-N 3.5Å; L287-D289 VanDerWaalsContact C-N 3.33Å; L287-D289 PolarHBondContact O-N 2.9Å; D289-Y291 PolarHBondContact O-N 3.02Å; D289-R292 PolarHBondContact O-N 2.61Å; D289-R292 IonicContact OD1-CZ 3.46Å; D289-R292 VanDerWaalsContact OD1-CZ 3.31Å; D289-R292 IonicContact OD1-NE 2.89Å; D289-R292 PolarHBondContact OD1-NE 3.3Å; D289-R292 VanDerWaalsContact OD1-NE 3.15Å; D289-R292 IonicContact OD1-NH2 3.65Å; D289-R292 PolarHBondContact OD1-NH2 3.35Å; D289-S293 PolarHBondContact O-N 3.06Å |
| 290 | L | 98.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 174.5 | -176.1 | 64.6 | 0 | 0 | 0 | 110.9 | M176 L270 Q286 L287 G288 R292 S293 F294 | M176-L290 HydrophobicContact CE-CD2 4.24Å; L270-L290 HydrophobicContact CD1-CD2 3.62Å; Q286-L290 PolarHBondContact O-N 2.98Å; L287-L290 HydrophobicContact CD1-CD2 4.31Å; L287-L290 WeakPolarHBondContact O-CB 3.22Å; L287-L290 PolarHBondContact O-N 3.45Å; G288-L290 VanDerWaalsContact C-N 3.35Å; L290-R292 PolarHBondContact O-N 3.39Å; L290-S293 WeakPolarHBondContact O-CB 3.49Å; L290-S293 PolarHBondContact O-N 2.76Å; L290-S293 VanDerWaalsContact O-N 3.1Å; L290-S293 PolarHBondContact O-OG 2.53Å; L290-F294 HydrophobicContact CD1-CE1 3.73Å; L290-F294 HydrophobicContact CD1-CE2 4.46Å; L290-F294 HydrophobicContact CD1-CZ 3.63Å; L290-F294 HydrophobicContact CD2-CE2 4.29Å; L290-F294 HydrophobicContact CD2-CZ 3.99Å; L290-F294 HydrophobicContact CG-CE1 4.09Å; L290-F294 HydrophobicContact CG-CE2 3.93Å; L290-F294 HydrophobicContact CG-CZ 3.57Å; L290-F294 PolarHBondContact O-N 2.91Å; L290-F294 VanDerWaalsContact O-N 3.08Å |
| 291 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.4 | -56.7 | -39.5 | 0 | 0 | 0 | 113 | M176 V257 L287 G288 D289 S293 F294 I295 I303 P306 F307 F318 | M176-Y291 HydrophobicContact CE-CD1 4.31Å; M176-Y291 HydrophobicContact CE-CE1 3.57Å; M176-Y291 HydrophobicContact SD-CE1 4.45Å; V257-Y291 HydrophobicContact CG1-CE1 4.46Å; V257-Y291 WeakPolarHBondContact CG1-OH 3.34Å; V257-Y291 HydrophobicContact CG2-CE1 3.84Å; L287-Y291 HydrophobicContact CD1-CE1 3.85Å; L287-Y291 HydrophobicContact CD1-CE2 4.13Å; L287-Y291 VanDerWaalsContact CD1-CZ 3.5Å; L287-Y291 VanDerWaalsContact CD1-OH 3.28Å; L287-Y291 WeakPolarHBondContact CD1-OH 3.49Å; L287-Y291 HydrophobicContact CD2-CE2 4.25Å; L287-Y291 VanDerWaalsContact CD2-OH 3.27Å; L287-Y291 WeakPolarHBondContact CD2-OH 3.32Å; L287-Y291 HydrophobicContact CG-CE1 4.27Å; L287-Y291 HydrophobicContact CG-CE2 3.61Å; L287-Y291 VanDerWaalsContact CG-CZ 3.45Å; L287-Y291 VanDerWaalsContact CG-OH 3.22Å; L287-Y291 WeakPolarHBondContact CG-OH 3.39Å; L287-Y291 VanDerWaalsContact O-CD2 3.3Å; L287-Y291 WeakPolarHBondContact O-CD2 3.46Å; L287-Y291 PolarHBondContact O-N 3.06Å; G288-Y291 PolarHBondContact O-N 2.84Å; D289-Y291 PolarHBondContact O-N 3.02Å; Y291-S293 PolarHBondContact O-N 3.22Å; Y291-F294 HydrophobicContact CD1-CD2 4.34Å; Y291-F294 WeakPolarHBondContact O-CB 3.12Å; Y291-F294 PolarHBondContact O-N 3.04Å; Y291-I295 WeakPolarHBondContact O-CG1 3.43Å; Y291-I295 PolarHBondContact O-N 2.88Å; Y291-I303 HydrophobicContact CG-CD1 4.33Å; Y291-P306 HydrophobicContact CD2-CB 4.01Å; Y291-P306 HydrophobicContact CE2-CB 3.45Å; Y291-P306 VanDerWaalsContact CE2-CB 3.45Å; Y291-P306 VanDerWaalsContact CE2-O 3.26Å; Y291-P306 WeakPolarHBondContact CE2-O 3.46Å; Y291-P306 PolarHBondContact OH-O 2.84Å; Y291-F307 HydrophobicContact CD2-CZ 4.28Å; Y291-F307 HydrophobicContact CE2-CE1 4.15Å; Y291-F307 HydrophobicContact CE2-CZ 4.01Å; Y291-F318 VanDerWaalsContact CB-CZ 3.42Å; Y291-F318 HydrophobicContact CD2-CE1 4.11Å; Y291-F318 HydrophobicContact CD2-CE2 4.05Å; Y291-F318 AromaticContact CD2-CZ 3.83Å; Y291-F318 HydrophobicContact CD2-CZ 3.83Å; Y291-F318 HydrophobicContact CG-CE2 4.38Å; Y291-F318 HydrophobicContact CG-CZ 4.04Å |
| 292 | R | 98.6 | Very high | 98.4 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -37.2 | 173.9 | -77 | -176 | -77.7 | -86.2 | 1.7 | 111.5 | G288 D289 L290 F294 I295 K296 F318 S321 V322 | G288-R292 PolarHBondContact O-N 3.4Å; D289-R292 PolarHBondContact O-N 2.61Å; D289-R292 IonicContact OD1-CZ 3.46Å; D289-R292 VanDerWaalsContact OD1-CZ 3.31Å; D289-R292 IonicContact OD1-NE 2.89Å; D289-R292 PolarHBondContact OD1-NE 3.3Å; D289-R292 VanDerWaalsContact OD1-NE 3.15Å; D289-R292 IonicContact OD1-NH2 3.65Å; D289-R292 PolarHBondContact OD1-NH2 3.35Å; L290-R292 PolarHBondContact O-N 3.39Å; R292-F294 VanDerWaalsContact C-N 3.35Å; R292-I295 PolarHBondContact O-N 2.96Å; R292-K296 WeakPolarHBondContact O-CB 3.46Å; R292-K296 PolarHBondContact O-N 2.89Å; R292-F318 HydrophobicContact CG-CE2 4.21Å; R292-S321 PolarHBondContact NH1-OG 2.8Å; R292-V322 HydrophobicContact CG-CG1 4.37Å |
| 293 | S | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 174.5 | 86.2 | 0 | 0 | 0 | 0 | 112.1 | D289 L290 Y291 K296 G297 | D289-S293 PolarHBondContact O-N 3.06Å; L290-S293 WeakPolarHBondContact O-CB 3.49Å; L290-S293 PolarHBondContact O-N 2.76Å; L290-S293 VanDerWaalsContact O-N 3.1Å; L290-S293 PolarHBondContact O-OG 2.53Å; Y291-S293 PolarHBondContact O-N 3.22Å; S293-K296 PolarHBondContact O-N 3.49Å; S293-G297 PolarHBondContact O-N 3.04Å |
| 294 | F | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -44.6 | 176 | -61.6 | -19.2 | 0 | 0 | 0 | 112.3 | M176 N231 N232 L235 M255 L290 Y291 R292 K296 G297 Y298 | M176-F294 HydrophobicContact CE-CE2 3.88Å; M176-F294 HydrophobicContact SD-CE2 4.08Å; N231-F294 HydrophobicContact CB-CE2 4.07Å; N231-F294 HydrophobicContact CB-CZ 3.86Å; N232-F294 HydrophobicContact CB-CE1 4.09Å; L235-F294 HydrophobicContact CD1-CB 3.79Å; L235-F294 HydrophobicContact CD1-CD1 3.75Å; L235-F294 HydrophobicContact CD1-CD2 3.9Å; L235-F294 HydrophobicContact CD1-CE1 4.29Å; L235-F294 HydrophobicContact CD1-CE2 4.41Å; L235-F294 HydrophobicContact CD1-CG 3.55Å; M255-F294 HydrophobicContact CE-CD2 3.93Å; M255-F294 HydrophobicContact CE-CE2 4.12Å; M255-F294 HydrophobicContact SD-CD2 4.2Å; L290-F294 HydrophobicContact CD1-CE1 3.73Å; L290-F294 HydrophobicContact CD1-CE2 4.46Å; L290-F294 HydrophobicContact CD1-CZ 3.63Å; L290-F294 HydrophobicContact CD2-CE2 4.29Å; L290-F294 HydrophobicContact CD2-CZ 3.99Å; L290-F294 HydrophobicContact CG-CE1 4.09Å; L290-F294 HydrophobicContact CG-CE2 3.93Å; L290-F294 HydrophobicContact CG-CZ 3.57Å; L290-F294 PolarHBondContact O-N 2.91Å; L290-F294 VanDerWaalsContact O-N 3.08Å; Y291-F294 HydrophobicContact CD1-CD2 4.34Å; Y291-F294 WeakPolarHBondContact O-CB 3.12Å; Y291-F294 PolarHBondContact O-N 3.04Å; R292-F294 VanDerWaalsContact C-N 3.35Å; F294-K296 PolarHBondContact O-N 3.04Å; F294-G297 PolarHBondContact O-N 3.06Å; F294-Y298 HydrophobicContact CB-CD2 4.48Å; F294-Y298 WeakPolarHBondContact O-CB 3.42Å; F294-Y298 WeakPolarHBondContact O-CD2 3.41Å; F294-Y298 PolarHBondContact O-N 3.23Å |
| 295 | I | 98.5 | Very high | 98.5 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.205 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -34.7 | 176.4 | -63.3 | 163.5 | 0 | 0 | 0 | 111 | Y291 R292 V300 I303 F318 V322 I324 | Y291-I295 WeakPolarHBondContact O-CG1 3.43Å; Y291-I295 PolarHBondContact O-N 2.88Å; R292-I295 PolarHBondContact O-N 2.96Å; I295-V300 HydrophobicContact CG1-CB 4.43Å; I295-V300 HydrophobicContact CG1-CG1 4.3Å; I295-I303 HydrophobicContact CD1-CD1 4.14Å; I295-I303 HydrophobicContact CG1-CD1 4.27Å; I295-F318 HydrophobicContact CD1-CZ 4.12Å; I295-V322 HydrophobicContact CD1-CB 4.37Å; I295-V322 HydrophobicContact CD1-CG1 3.86Å; I295-I324 HydrophobicContact CD1-CD1 3.56Å; I295-I324 HydrophobicContact CD1-CG1 4.07Å; I295-I324 HydrophobicContact CG1-CD1 3.96Å; I295-I324 HydrophobicContact CG2-CG2 4.1Å |
| 296 | K | 97.8 | Very high | 98.5 | Very high | 193 Ų | 193 | 38.7 Ų | 38.7 | 84% | 0.839 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -75.4 | -36.8 | 176.8 | -174.7 | 179.3 | 177.2 | -177.2 | 0 | 112.9 | R292 S293 F294 | R292-K296 WeakPolarHBondContact O-CB 3.46Å; R292-K296 PolarHBondContact O-N 2.89Å; S293-K296 PolarHBondContact O-N 3.49Å; F294-K296 PolarHBondContact O-N 3.04Å |
| 297 | G | 97.4 | Very high | 98.5 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 46% | 0.464 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -86.9 | -25.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S293 F294 | S293-G297 PolarHBondContact O-N 3.04Å; F294-G297 PolarHBondContact O-N 3.06Å |
| 298 | Y | 98.1 | Very high | 98.5 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 8% | 0.078 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -137.2 | 159.8 | -169.7 | -55.8 | -78.8 | 0 | 0 | 0 | 111 | N232 L235 E236 K239 F294 V300 | N232-Y298 PolarHBondContact ND2-OH 2.92Å; N232-Y298 WeakPolarHBondContact OD1-CE2 3.33Å; N232-Y298 PolarHBondContact OD1-OH 3.07Å; L235-Y298 HydrophobicContact CB-CD1 3.8Å; L235-Y298 HydrophobicContact CB-CD2 3.89Å; L235-Y298 HydrophobicContact CB-CE1 3.84Å; L235-Y298 HydrophobicContact CB-CE2 3.93Å; L235-Y298 HydrophobicContact CB-CG 3.84Å; L235-Y298 HydrophobicContact CD1-CD2 3.54Å; L235-Y298 HydrophobicContact CD1-CE2 3.89Å; L235-Y298 HydrophobicContact CD1-CG 4.11Å; L235-Y298 HydrophobicContact CG-CD2 4.27Å; L235-Y298 HydrophobicContact CG-CG 4.43Å; E236-Y298 VanDerWaalsContact CD-CE1 3.44Å; E236-Y298 HydrophobicContact CG-CE1 4.04Å; E236-Y298 WeakPolarHBondContact CG-OH 3.33Å; E236-Y298 VanDerWaalsContact OE1-CE1 3.26Å; E236-Y298 WeakPolarHBondContact OE1-CE1 3.37Å; E236-Y298 VanDerWaalsContact OE1-CZ 3.3Å; E236-Y298 PolarHBondContact OE1-OH 3.43Å; K239-Y298 HydrophobicContact CD-CD1 4.38Å; K239-Y298 HydrophobicContact CD-CE1 4.38Å; F294-Y298 HydrophobicContact CB-CD2 4.48Å; F294-Y298 WeakPolarHBondContact O-CB 3.42Å; F294-Y298 WeakPolarHBondContact O-CD2 3.41Å; F294-Y298 PolarHBondContact O-N 3.23Å; Y298-V300 PolarHBondContact O-N 3.28Å |
| 299 | P | 97.4 | Very high | 98.4 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | trans | -75 | 44 | 177 | 34 | -37.7 | 0 | 0 | 0 | 112.4 | I252 I253 Q301 | I252-P299 WeakPolarHBondContact CA-O 3.35Å; I253-P299 HydrophobicContact CD1-CG 4.17Å; I253-P299 HydrophobicContact CG1-CG 4.24Å; I253-P299 PolarHBondContact N-O 3.12Å; P299-Q301 PolarHBondContact O-N 2.78Å | ||
| 300 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.1 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | L235 I253 M255 I295 Y298 I303 | L235-V300 HydrophobicContact CD2-CG2 4.03Å; I253-V300 HydrophobicContact CB-CG2 4.09Å; I253-V300 HydrophobicContact CG2-CG2 3.95Å; I253-V300 WeakPolarHBondContact O-CA 3.44Å; M255-V300 HydrophobicContact SD-CG1 4.13Å; M255-V300 HydrophobicContact SD-CG2 4.02Å; I295-V300 HydrophobicContact CG1-CB 4.43Å; I295-V300 HydrophobicContact CG1-CG1 4.3Å; Y298-V300 PolarHBondContact O-N 3.28Å; V300-I303 HydrophobicContact CG1-CD1 4Å; V300-I303 HydrophobicContact CG1-CG1 3.73Å |
| 301 | Q | 98.7 | Very high | 98.3 | Very high | 73 Ų | 73 | 34.2 Ų | 34.2 | 34% | 0.341 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | -1.5 | -174.5 | -68.7 | -62.1 | -57.4 | 0 | 0 | 113 | I252 I253 P299 Q325 | I252-Q301 HydrophobicContact CB-CB 4.01Å; I252-Q301 HydrophobicContact CB-CG 3.88Å; I252-Q301 HydrophobicContact CD1-CB 3.65Å; I252-Q301 HydrophobicContact CD1-CG 4.27Å; I252-Q301 HydrophobicContact CG1-CB 4.24Å; I252-Q301 HydrophobicContact CG2-CB 4.37Å; I252-Q301 HydrophobicContact CG2-CG 3.82Å; I253-Q301 PolarHBondContact O-N 3.49Å; P299-Q301 PolarHBondContact O-N 2.78Å; Q301-Q325 WeakPolarHBondContact O-CB 3.48Å; Q301-Q325 PolarHBondContact O-N 3.25Å |
| 302 | S | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 129.1 | 171.2 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | G254 M255 Q325 V327 | G254-S302 CarbonylContact C-O 3.4Å; G254-S302 VanDerWaalsContact CA-O 3.28Å; G254-S302 WeakPolarHBondContact CA-O 3.42Å; M255-S302 PolarHBondContact N-O 2.94Å; S302-Q325 CarbonylContact C-O 3.58Å; S302-Q325 VanDerWaalsContact CA-O 3.26Å; S302-Q325 WeakPolarHBondContact CA-O 3.38Å; S302-Q325 PolarHBondContact OG-NE2 2.84Å; S302-V327 WeakPolarHBondContact OG-CG2 3.41Å |
| 303 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.5 | 171.8 | -60.5 | 178.4 | 0 | 0 | 0 | 108.6 | M255 V257 Y291 I295 V300 P306 F318 I324 Q325 I326 V327 | M255-I303 CarbonylContact O-C 3.53Å; M255-I303 WeakPolarHBondContact O-CA 3.46Å; V257-I303 HydrophobicContact CG2-CG2 3.89Å; Y291-I303 HydrophobicContact CG-CD1 4.33Å; I295-I303 HydrophobicContact CD1-CD1 4.14Å; I295-I303 HydrophobicContact CG1-CD1 4.27Å; V300-I303 HydrophobicContact CG1-CD1 4Å; V300-I303 HydrophobicContact CG1-CG1 3.73Å; I303-P306 HydrophobicContact CG2-CB 3.91Å; I303-P306 HydrophobicContact CG2-CG 4.42Å; I303-F318 HydrophobicContact CD1-CE1 4.39Å; I303-F318 HydrophobicContact CD1-CZ 4.21Å; I303-I324 HydrophobicContact CB-CD1 4.24Å; I303-I324 HydrophobicContact CD1-CD1 3.75Å; I303-I324 HydrophobicContact CG1-CD1 3.66Å; I303-Q325 PolarHBondContact N-O 3.42Å; I303-I326 HydrophobicContact CB-CD1 4.21Å; I303-I326 CarbonylContact O-C 3.52Å; I303-I326 VanDerWaalsContact O-CA 3.31Å; I303-I326 WeakPolarHBondContact O-CA 3.23Å; I303-V327 PolarHBondContact O-N 2.92Å |
| 304 | E | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.3 | 176.1 | 179.8 | -175.2 | 144.3 | 0 | 0 | 110.2 | M255 D256 V257 P306 V327 D329 L352 K405 | M255-E304 WeakPolarHBondContact O-CB 3.34Å; M255-E304 PolarHBondContact O-N 2.91Å; D256-E304 HydrophobicContact CB-CB 4.01Å; D256-E304 HydrophobicContact CB-CG 4.23Å; V257-E304 PolarHBondContact N-O 2.73Å; E304-P306 VanDerWaalsContact C-CD 3.43Å; E304-V327 WeakPolarHBondContact CA-O 3.36Å; E304-V327 HydrophobicContact CB-CB 3.76Å; E304-V327 HydrophobicContact CB-CG1 4.4Å; E304-V327 HydrophobicContact CB-CG2 4.33Å; E304-V327 HydrophobicContact CG-CB 3.95Å; E304-V327 HydrophobicContact CG-CG1 4.12Å; E304-D329 HydrophobicContact CG-CB 3.95Å; E304-D329 WeakPolarHBondContact OE1-CB 3.28Å; E304-L352 WeakPolarHBondContact OE1-CD2 3.3Å; E304-K405 IonicContact OE1-NZ 3.3Å; E304-K405 PolarHBondContact OE1-NZ 2.62Å; E304-K405 WeakPolarHBondContact OE2-CE 3.36Å; E304-K405 IonicContact OE2-NZ 3.39Å; E304-K405 PolarHBondContact OE2-NZ 3.34Å |
| 305 | D | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | 42.4 | 52.4 | 179.5 | -73.3 | -1.4 | 0 | 0 | 0 | 115.6 | V257 A259 F307 W315 V327 D329 D330 | V257-D305 WeakPolarHBondContact CB-O 3.49Å; A259-D305 VanDerWaalsContact CB-O 3.25Å; A259-D305 WeakPolarHBondContact CB-O 3.39Å; A259-D305 PolarHBondContact N-O 2.95Å; A259-D305 VanDerWaalsContact N-O 3.12Å; D305-F307 PolarHBondContact O-N 3.21Å; D305-F307 VanDerWaalsContact O-N 3.13Å; D305-W315 HydrophobicContact CB-CH2 4.42Å; D305-W315 HydrophobicContact CB-CZ2 4.35Å; D305-W315 VanDerWaalsContact OD1-CH2 3.23Å; D305-W315 WeakPolarHBondContact OD1-CH2 3.43Å; D305-W315 WeakPolarHBondContact OD1-CZ2 3.24Å; D305-V327 PolarHBondContact N-O 3.07Å; D305-V327 VanDerWaalsContact N-O 3.12Å; D305-D329 PolarHBondContact OD1-N 3.43Å; D305-D329 WeakPolarHBondContact OD2-CB 3.45Å; D305-D330 PolarHBondContact OD1-N 2.96Å; D305-D330 VanDerWaalsContact OD2-CB 3.29Å; D305-D330 WeakPolarHBondContact OD2-CB 3.5Å; D305-D330 PolarHBondContact OD2-N 2.67Å | ||
| 306 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -61.4 | -21.5 | -179.7 | 25.4 | -35.7 | 0 | 0 | 0 | 114.1 | Y291 I303 E304 W315 F318 I326 | Y291-P306 HydrophobicContact CD2-CB 4.01Å; Y291-P306 HydrophobicContact CE2-CB 3.45Å; Y291-P306 VanDerWaalsContact CE2-CB 3.45Å; Y291-P306 VanDerWaalsContact CE2-O 3.26Å; Y291-P306 WeakPolarHBondContact CE2-O 3.46Å; Y291-P306 PolarHBondContact OH-O 2.84Å; I303-P306 HydrophobicContact CG2-CB 3.91Å; I303-P306 HydrophobicContact CG2-CG 4.42Å; E304-P306 VanDerWaalsContact C-CD 3.43Å; P306-W315 HydrophobicContact CG-CD2 4.44Å; P306-W315 HydrophobicContact CG-CE3 4.09Å; P306-W315 HydrophobicContact CG-CH2 4.32Å; P306-W315 HydrophobicContact CG-CZ3 4.04Å; P306-F318 HydrophobicContact CB-CD1 4.29Å; P306-F318 HydrophobicContact CB-CE1 4.32Å; P306-F318 HydrophobicContact CG-CD1 4.22Å; P306-I326 HydrophobicContact CG-CG2 4.21Å | ||
| 307 | F | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -138.6 | 168.3 | -178.5 | -56 | -71.6 | 0 | 0 | 0 | 110.4 | Y268 G284 L287 Y291 D305 D311 Q314 W315 F318 | Y268-F307 HydrophobicContact CE2-CD1 4.19Å; Y268-F307 AromaticContact CZ-CD1 3.97Å; Y268-F307 WeakPolarHBondContact OH-CB 3.27Å; G284-F307 VanDerWaalsContact O-CE1 3.27Å; G284-F307 WeakPolarHBondContact O-CE1 3.44Å; L287-F307 HydrophobicContact CB-CE1 4.32Å; L287-F307 HydrophobicContact CD2-CD1 4.23Å; L287-F307 HydrophobicContact CD2-CE1 4.27Å; L287-F307 HydrophobicContact CG-CE1 4.31Å; Y291-F307 HydrophobicContact CD2-CZ 4.28Å; Y291-F307 HydrophobicContact CE2-CE1 4.15Å; Y291-F307 HydrophobicContact CE2-CZ 4.01Å; D305-F307 PolarHBondContact O-N 3.21Å; D305-F307 VanDerWaalsContact O-N 3.13Å; F307-D311 HydrophobicContact CB-CB 4.25Å; F307-Q314 HydrophobicContact CB-CB 4.34Å; F307-Q314 HydrophobicContact CD1-CB 3.68Å; F307-Q314 HydrophobicContact CD1-CG 4.49Å; F307-Q314 HydrophobicContact CD2-CB 3.96Å; F307-Q314 HydrophobicContact CE1-CB 3.95Å; F307-Q314 HydrophobicContact CE2-CB 4.22Å; F307-Q314 WeakPolarHBondContact CE2-O 3.46Å; F307-Q314 HydrophobicContact CG-CB 3.69Å; F307-Q314 HydrophobicContact CZ-CB 4.21Å; F307-W315 HydrophobicContact CB-CG 4.35Å; F307-W315 HydrophobicContact CD2-CG 4.25Å; F307-W315 PolarHBondContact O-NE1 2.91Å; F307-F318 HydrophobicContact CE2-CB 3.37Å; F307-F318 AromaticContact CE2-CD1 3.92Å; F307-F318 HydrophobicContact CE2-CD1 3.92Å; F307-F318 AromaticContact CE2-CG 3.73Å; F307-F318 HydrophobicContact CE2-CG 3.73Å; F307-F318 HydrophobicContact CZ-CB 3.81Å; F307-F318 HydrophobicContact CZ-CD1 4.49Å; F307-F318 HydrophobicContact CZ-CD2 4.46Å; F307-F318 HydrophobicContact CZ-CG 4.02Å |
| 308 | D | 98.3 | Very high | 98.4 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | trans | -56.8 | 147.5 | 177.9 | 177.3 | 70.3 | 0 | 0 | 0 | 112.1 | S260 F263 Y268 D310 D311 W315 | S260-D308 WeakPolarHBondContact CA-OD1 3.26Å; S260-D308 WeakPolarHBondContact CB-OD1 3.39Å; S260-D308 WeakPolarHBondContact OG-CA 3.22Å; S260-D308 PolarHBondContact OG-OD1 3.32Å; F263-D308 HydrophobicContact CB-CB 3.9Å; F263-D308 HydrophobicContact CD1-CB 3.87Å; F263-D308 HydrophobicContact CD2-CB 3.84Å; F263-D308 HydrophobicContact CE1-CB 4.28Å; F263-D308 HydrophobicContact CE2-CB 4.24Å; F263-D308 HydrophobicContact CG-CB 3.61Å; F263-D308 HydrophobicContact CZ-CB 4.43Å; Y268-D308 HydrophobicContact CE1-CB 4.3Å; Y268-D308 PolarHBondContact OH-N 3.33Å; D308-D310 PolarHBondContact O-N 2.89Å; D308-D310 PolarHBondContact OD2-N 2.78Å; D308-D311 HydrophobicContact CB-CB 4.05Å; D308-D311 PolarHBondContact O-N 3.27Å; D308-W315 PolarHBondContact O-NE1 2.95Å | ||
| 309 | Q | 97 | Very high | 98.4 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -17.9 | -178.6 | 68.4 | -164.6 | -37.6 | 0 | 0 | 115 | S260 D330 L331 R338 | S260-Q309 PolarHBondContact OG-N 2.83Å; Q309-D330 HydrophobicContact CB-CB 4.01Å; Q309-L331 WeakPolarHBondContact O-CD1 3.43Å; Q309-R338 PolarHBondContact O-NH2 3.48Å |
| 310 | D | 97.3 | Very high | 98.5 | Very high | 76 Ų | 76 | 31.4 Ų | 31.4 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 2.9 | 174.6 | -70.7 | -44.7 | 0 | 0 | 0 | 114.3 | H55 D308 W312 R338 | H55-D310 IonicContact NE2-OD1 3.38Å; H55-D310 IonicContact NE2-OD2 2.75Å; D308-D310 PolarHBondContact O-N 2.89Å; D308-D310 PolarHBondContact OD2-N 2.78Å; D310-W312 PolarHBondContact O-N 3.39Å; D310-R338 IonicContact OD1-CZ 2.65Å; D310-R338 IonicContact OD1-NH1 3.39Å; D310-R338 IonicContact OD1-NH2 3.61Å; D310-R338 PolarHBondContact OD1-NH2 2.8Å |
| 311 | D | 97.6 | Very high | 98.5 | Very high | 31 Ų | 31 | 34.3 Ų | 34.3 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | trans | -81.7 | 52.2 | 176.7 | -165.8 | -2.3 | 0 | 0 | 0 | 112.4 | Y268 F307 D308 E313 Q314 W315 | Y268-D311 WeakPolarHBondContact OH-CB 3.38Å; Y268-D311 PolarHBondContact OH-OD2 3.44Å; F307-D311 HydrophobicContact CB-CB 4.25Å; D308-D311 HydrophobicContact CB-CB 4.05Å; D308-D311 PolarHBondContact O-N 3.27Å; D311-E313 PolarHBondContact O-N 3.41Å; D311-Q314 VanDerWaalsContact CG-CG 3.45Å; D311-Q314 PolarHBondContact O-N 2.7Å; D311-Q314 WeakPolarHBondContact OD1-CG 3.37Å; D311-Q314 WeakPolarHBondContact OD2-CG 3.34Å; D311-W315 VanDerWaalsContact O-CD1 3.24Å; D311-W315 PolarHBondContact O-N 3.24Å | ||
| 312 | W | 98.4 | Very high | 98.4 | Very high | 30 Ų | 30 | 32.2 Ų | 32.2 | 11% | 0.114 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -50.5 | -31.5 | -174.8 | -69.1 | 101 | 0 | 0 | 0 | 114.5 | D310 A316 L331 Q341 A342 K345 A347 | D310-W312 PolarHBondContact O-N 3.39Å; W312-A316 WeakPolarHBondContact O-CB 3.5Å; W312-A316 PolarHBondContact O-N 3.47Å; W312-A316 VanDerWaalsContact O-N 3.14Å; W312-L331 HydrophobicContact CD2-CD1 4.09Å; W312-L331 HydrophobicContact CE3-CD1 3.72Å; W312-L331 HydrophobicContact CH2-CD1 3.62Å; W312-L331 HydrophobicContact CH2-CG 4.03Å; W312-L331 HydrophobicContact CZ2-CD1 4Å; W312-L331 HydrophobicContact CZ3-CD1 3.45Å; W312-L331 VanDerWaalsContact CZ3-CD1 3.45Å; W312-L331 HydrophobicContact CZ3-CD2 4.1Å; W312-L331 HydrophobicContact CZ3-CG 3.89Å; W312-Q341 HydrophobicContact CH2-CB 4.23Å; W312-Q341 HydrophobicContact CH2-CG 3.93Å; W312-Q341 VanDerWaalsContact CZ2-CD 3.4Å; W312-Q341 HydrophobicContact CZ2-CG 4.01Å; W312-Q341 HydrophobicContact CZ3-CG 4.35Å; W312-A342 HydrophobicContact CH2-CB 4.06Å; W312-A342 HydrophobicContact CZ3-CB 3.63Å; W312-K345 HydrophobicContact CB-CD 3.99Å; W312-K345 HydrophobicContact CD2-CD 3.67Å; W312-K345 HydrophobicContact CE3-CB 4.49Å; W312-K345 HydrophobicContact CE3-CD 3.49Å; W312-K345 VanDerWaalsContact CE3-CD 3.49Å; W312-K345 HydrophobicContact CG-CD 3.91Å; W312-K345 HydrophobicContact CZ3-CD 4.21Å; W312-A347 HydrophobicContact CE3-CB 3.87Å; W312-A347 HydrophobicContact CZ3-CB 3.94Å |
| 313 | E | 98.1 | Very high | 98.4 | Very high | 122 Ų | 122 | 38.9 Ų | 38.9 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.2 | -46.6 | 179.9 | -172.3 | -178.3 | 159.2 | 0 | 0 | 111.2 | D311 A316 K317 | D311-E313 PolarHBondContact O-N 3.41Å; E313-A316 PolarHBondContact O-N 3.44Å; E313-K317 HydrophobicContact CG-CD 4.12Å; E313-K317 WeakPolarHBondContact O-CB 3.39Å; E313-K317 WeakPolarHBondContact O-CG 3.37Å; E313-K317 PolarHBondContact O-N 3.34Å; E313-K317 VanDerWaalsContact OE1-CE 3.26Å; E313-K317 WeakPolarHBondContact OE1-CE 3.46Å; E313-K317 IonicContact OE1-NZ 3.71Å; E313-K317 PolarHBondContact OE1-NZ 2.79Å |
| 314 | Q | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.8 | -36.9 | -179.8 | -60.4 | -66.7 | 42.2 | 0 | 0 | 112 | G284 E285 F307 D311 K317 F318 | G284-Q314 VanDerWaalsContact C-NE2 3.27Å; G284-Q314 VanDerWaalsContact CA-NE2 3.31Å; E285-Q314 VanDerWaalsContact N-NE2 3.16Å; F307-Q314 HydrophobicContact CB-CB 4.34Å; F307-Q314 HydrophobicContact CD1-CB 3.68Å; F307-Q314 HydrophobicContact CD1-CG 4.49Å; F307-Q314 HydrophobicContact CD2-CB 3.96Å; F307-Q314 HydrophobicContact CE1-CB 3.95Å; F307-Q314 HydrophobicContact CE2-CB 4.22Å; F307-Q314 WeakPolarHBondContact CE2-O 3.46Å; F307-Q314 HydrophobicContact CG-CB 3.69Å; F307-Q314 HydrophobicContact CZ-CB 4.21Å; D311-Q314 VanDerWaalsContact CG-CG 3.45Å; D311-Q314 PolarHBondContact O-N 2.7Å; D311-Q314 WeakPolarHBondContact OD1-CG 3.37Å; D311-Q314 WeakPolarHBondContact OD2-CG 3.34Å; Q314-K317 PolarHBondContact O-N 2.73Å; Q314-F318 VanDerWaalsContact O-CB 3.29Å; Q314-F318 WeakPolarHBondContact O-CB 3.49Å; Q314-F318 PolarHBondContact O-N 3.26Å |
| 315 | W | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -52.9 | -55.6 | 169.4 | -81.7 | 95.3 | 0 | 0 | 0 | 112 | D305 P306 F307 D308 D311 K317 F318 T319 I326 V327 L331 A347 C348 | D305-W315 HydrophobicContact CB-CH2 4.42Å; D305-W315 HydrophobicContact CB-CZ2 4.35Å; D305-W315 VanDerWaalsContact OD1-CH2 3.23Å; D305-W315 WeakPolarHBondContact OD1-CH2 3.43Å; D305-W315 WeakPolarHBondContact OD1-CZ2 3.24Å; P306-W315 HydrophobicContact CG-CD2 4.44Å; P306-W315 HydrophobicContact CG-CE3 4.09Å; P306-W315 HydrophobicContact CG-CH2 4.32Å; P306-W315 HydrophobicContact CG-CZ3 4.04Å; F307-W315 HydrophobicContact CB-CG 4.35Å; F307-W315 HydrophobicContact CD2-CG 4.25Å; F307-W315 PolarHBondContact O-NE1 2.91Å; D308-W315 PolarHBondContact O-NE1 2.95Å; D311-W315 VanDerWaalsContact O-CD1 3.24Å; D311-W315 PolarHBondContact O-N 3.24Å; W315-K317 PolarHBondContact O-N 3.37Å; W315-F318 PolarHBondContact O-N 2.76Å; W315-T319 WeakPolarHBondContact O-CB 3.47Å; W315-T319 PolarHBondContact O-N 3.26Å; W315-T319 PolarHBondContact O-OG1 2.79Å; W315-T319 VanDerWaalsContact O-OG1 3.07Å; W315-I326 HydrophobicContact CE3-CG2 3.97Å; W315-I326 HydrophobicContact CZ3-CG2 3.76Å; W315-V327 WeakPolarHBondContact CH2-O 3.48Å; W315-L331 HydrophobicContact CD2-CD1 4.38Å; W315-L331 HydrophobicContact CD2-CD2 3.69Å; W315-L331 HydrophobicContact CD2-CG 4.48Å; W315-L331 HydrophobicContact CE3-CD2 3.69Å; W315-L331 HydrophobicContact CG-CD1 4.41Å; W315-L331 HydrophobicContact CG-CD2 4.26Å; W315-L331 HydrophobicContact CH2-CB 3.92Å; W315-L331 HydrophobicContact CH2-CD2 3.91Å; W315-L331 HydrophobicContact CH2-CG 4.5Å; W315-L331 HydrophobicContact CZ2-CB 3.64Å; W315-L331 HydrophobicContact CZ2-CD1 4.46Å; W315-L331 HydrophobicContact CZ2-CD2 3.99Å; W315-L331 HydrophobicContact CZ2-CG 4.23Å; W315-L331 HydrophobicContact CZ3-CD2 3.79Å; W315-A347 CarbonylContact C-O 3.56Å; W315-A347 HydrophobicContact CB-CB 3.97Å; W315-C348 HydrophobicContact CE3-CB 4.04Å; W315-C348 HydrophobicContact CZ3-CB 3.83Å |
| 316 | A | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W312 E313 A320 K345 | W312-A316 WeakPolarHBondContact O-CB 3.5Å; W312-A316 PolarHBondContact O-N 3.47Å; W312-A316 VanDerWaalsContact O-N 3.14Å; E313-A316 PolarHBondContact O-N 3.44Å; A316-A320 VanDerWaalsContact O-CB 3.32Å; A316-A320 WeakPolarHBondContact O-CB 3.25Å; A316-A320 PolarHBondContact O-N 2.98Å; A316-K345 WeakPolarHBondContact CB-O 3.34Å |
| 317 | K | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 39.1 Ų | 39.1 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.8 | -79.7 | 172.7 | 169.4 | 174.1 | 0 | 112 | E313 Q314 W315 S321 | E313-K317 HydrophobicContact CG-CD 4.12Å; E313-K317 WeakPolarHBondContact O-CB 3.39Å; E313-K317 WeakPolarHBondContact O-CG 3.37Å; E313-K317 PolarHBondContact O-N 3.34Å; E313-K317 VanDerWaalsContact OE1-CE 3.26Å; E313-K317 WeakPolarHBondContact OE1-CE 3.46Å; E313-K317 IonicContact OE1-NZ 3.71Å; E313-K317 PolarHBondContact OE1-NZ 2.79Å; Q314-K317 PolarHBondContact O-N 2.73Å; W315-K317 PolarHBondContact O-N 3.37Å; K317-S321 PolarHBondContact O-N 3.14Å |
| 318 | F | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -47.7 | -177.9 | -176.4 | -115.5 | 0 | 0 | 0 | 111.8 | Y291 R292 I295 I303 P306 F307 Q314 W315 A320 S321 V322 I326 | Y291-F318 VanDerWaalsContact CB-CZ 3.42Å; Y291-F318 HydrophobicContact CD2-CE1 4.11Å; Y291-F318 HydrophobicContact CD2-CE2 4.05Å; Y291-F318 AromaticContact CD2-CZ 3.83Å; Y291-F318 HydrophobicContact CD2-CZ 3.83Å; Y291-F318 HydrophobicContact CG-CE2 4.38Å; Y291-F318 HydrophobicContact CG-CZ 4.04Å; R292-F318 HydrophobicContact CG-CE2 4.21Å; I295-F318 HydrophobicContact CD1-CZ 4.12Å; I303-F318 HydrophobicContact CD1-CE1 4.39Å; I303-F318 HydrophobicContact CD1-CZ 4.21Å; P306-F318 HydrophobicContact CB-CD1 4.29Å; P306-F318 HydrophobicContact CB-CE1 4.32Å; P306-F318 HydrophobicContact CG-CD1 4.22Å; F307-F318 HydrophobicContact CE2-CB 3.37Å; F307-F318 AromaticContact CE2-CD1 3.92Å; F307-F318 HydrophobicContact CE2-CD1 3.92Å; F307-F318 AromaticContact CE2-CG 3.73Å; F307-F318 HydrophobicContact CE2-CG 3.73Å; F307-F318 HydrophobicContact CZ-CB 3.81Å; F307-F318 HydrophobicContact CZ-CD1 4.49Å; F307-F318 HydrophobicContact CZ-CD2 4.46Å; F307-F318 HydrophobicContact CZ-CG 4.02Å; Q314-F318 VanDerWaalsContact O-CB 3.29Å; Q314-F318 WeakPolarHBondContact O-CB 3.49Å; Q314-F318 PolarHBondContact O-N 3.26Å; W315-F318 PolarHBondContact O-N 2.76Å; F318-A320 PolarHBondContact O-N 3.42Å; F318-S321 WeakPolarHBondContact O-CA 3.46Å; F318-S321 WeakPolarHBondContact O-CB 3.41Å; F318-S321 PolarHBondContact O-N 3.19Å; F318-S321 PolarHBondContact O-OG 3Å; F318-V322 HydrophobicContact CD2-CG1 4.44Å; F318-V322 HydrophobicContact CE1-CG2 4.39Å; F318-V322 HydrophobicContact CE2-CG1 3.92Å; F318-V322 HydrophobicContact CZ-CG1 4.08Å; F318-V322 HydrophobicContact CZ-CG2 4.47Å; F318-V322 PolarHBondContact O-N 3.38Å; F318-I326 HydrophobicContact CD1-CD1 3.91Å; F318-I326 HydrophobicContact CE1-CD1 3.5Å; F318-I326 VanDerWaalsContact CE1-CD1 3.5Å |
| 319 | T | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.5 | -37.4 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 112 | W315 S321 A347 | W315-T319 WeakPolarHBondContact O-CB 3.47Å; W315-T319 PolarHBondContact O-N 3.26Å; W315-T319 PolarHBondContact O-OG1 2.79Å; W315-T319 VanDerWaalsContact O-OG1 3.07Å; T319-S321 PolarHBondContact O-N 3Å; T319-A347 WeakPolarHBondContact CB-O 3.49Å; T319-A347 PolarHBondContact OG1-O 3.14Å |
| 320 | A | 98.6 | Very high | 98.3 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 74% | 0.744 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A316 F318 | A316-A320 VanDerWaalsContact O-CB 3.32Å; A316-A320 WeakPolarHBondContact O-CB 3.25Å; A316-A320 PolarHBondContact O-N 2.98Å; F318-A320 PolarHBondContact O-N 3.42Å |
| 321 | S | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 42% | 0.42 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -4.7 | -174.2 | 75.7 | 0 | 0 | 0 | 0 | 114.7 | R292 K317 F318 T319 | R292-S321 PolarHBondContact NH1-OG 2.8Å; K317-S321 PolarHBondContact O-N 3.14Å; F318-S321 WeakPolarHBondContact O-CA 3.46Å; F318-S321 WeakPolarHBondContact O-CB 3.41Å; F318-S321 PolarHBondContact O-N 3.19Å; F318-S321 PolarHBondContact O-OG 3Å; T319-S321 PolarHBondContact O-N 3Å |
| 322 | V | 98.4 | Very high | 98.4 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | trans | -136.9 | 153.8 | -173.8 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | R292 I295 F318 I324 I326 | R292-V322 HydrophobicContact CG-CG1 4.37Å; I295-V322 HydrophobicContact CD1-CB 4.37Å; I295-V322 HydrophobicContact CD1-CG1 3.86Å; F318-V322 HydrophobicContact CD2-CG1 4.44Å; F318-V322 HydrophobicContact CE1-CG2 4.39Å; F318-V322 HydrophobicContact CE2-CG1 3.92Å; F318-V322 HydrophobicContact CZ-CG1 4.08Å; F318-V322 HydrophobicContact CZ-CG2 4.47Å; F318-V322 PolarHBondContact O-N 3.38Å; V322-I324 HydrophobicContact CB-CG1 4.14Å; V322-I324 HydrophobicContact CG2-CG1 3.79Å; V322-I326 HydrophobicContact CG2-CD1 4Å; V322-I326 HydrophobicContact CG2-CG1 4.11Å | ||
| 323 | D | 97.3 | Very high | 98.3 | Very high | 143 Ų | 143 | 30.8 Ų | 30.8 | 77% | 0.765 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -105.9 | 13.3 | 179 | -164.8 | 23.6 | 0 | 0 | 0 | 113.3 | R440 | D323-R440 PolarHBondContact O-NH1 2.87Š|
| 324 | I | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -87.2 | 174 | 177.9 | 65.8 | 156.5 | 0 | 0 | 0 | 111.5 | I295 I303 V322 I326 N349 R440 | I295-I324 HydrophobicContact CD1-CD1 3.56Å; I295-I324 HydrophobicContact CD1-CG1 4.07Å; I295-I324 HydrophobicContact CG1-CD1 3.96Å; I295-I324 HydrophobicContact CG2-CG2 4.1Å; I303-I324 HydrophobicContact CB-CD1 4.24Å; I303-I324 HydrophobicContact CD1-CD1 3.75Å; I303-I324 HydrophobicContact CG1-CD1 3.66Å; V322-I324 HydrophobicContact CB-CG1 4.14Å; V322-I324 HydrophobicContact CG2-CG1 3.79Å; I324-I326 HydrophobicContact CD1-CD1 3.94Å; I324-I326 HydrophobicContact CG1-CD1 3.92Å; I324-N349 PolarHBondContact O-ND2 2.89Å; I324-R440 PolarHBondContact O-NH2 3.44Å |
| 325 | Q | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.1 | 169 | -177.1 | 171.2 | -89.8 | 0 | 0 | 110.3 | Q301 S302 I303 V327 N349 C350 R440 | Q301-Q325 WeakPolarHBondContact O-CB 3.48Å; Q301-Q325 PolarHBondContact O-N 3.25Å; S302-Q325 CarbonylContact C-O 3.58Å; S302-Q325 VanDerWaalsContact CA-O 3.26Å; S302-Q325 WeakPolarHBondContact CA-O 3.38Å; S302-Q325 PolarHBondContact OG-NE2 2.84Å; I303-Q325 PolarHBondContact N-O 3.42Å; Q325-V327 HydrophobicContact CG-CG2 3.85Å; Q325-N349 WeakPolarHBondContact CA-OD1 3.24Å; Q325-C350 VanDerWaalsContact CD-SG 3.57Å; Q325-C350 HydrophobicContact CG-CB 3.49Å; Q325-C350 VanDerWaalsContact CG-CB 3.49Å; Q325-R440 HydrophobicContact CB-CG 4.48Å |
| 326 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.9 | 171.1 | -56.9 | -58.5 | 0 | 0 | 0 | 107.6 | I303 P306 W315 F318 V322 I324 C348 N349 C350 | I303-I326 HydrophobicContact CB-CD1 4.21Å; I303-I326 CarbonylContact O-C 3.52Å; I303-I326 VanDerWaalsContact O-CA 3.31Å; I303-I326 WeakPolarHBondContact O-CA 3.23Å; P306-I326 HydrophobicContact CG-CG2 4.21Å; W315-I326 HydrophobicContact CE3-CG2 3.97Å; W315-I326 HydrophobicContact CZ3-CG2 3.76Å; F318-I326 HydrophobicContact CD1-CD1 3.91Å; F318-I326 HydrophobicContact CE1-CD1 3.5Å; F318-I326 VanDerWaalsContact CE1-CD1 3.5Å; V322-I326 HydrophobicContact CG2-CD1 4Å; V322-I326 HydrophobicContact CG2-CG1 4.11Å; I324-I326 HydrophobicContact CD1-CD1 3.94Å; I324-I326 HydrophobicContact CG1-CD1 3.92Å; I326-C348 HydrophobicContact CB-CB 4.35Å; I326-C348 HydrophobicContact CG2-CB 3.87Å; I326-C348 WeakPolarHBondContact O-CB 3.38Å; I326-N349 PolarHBondContact N-OD1 2.97Å; I326-N349 PolarHBondContact O-N 2.84Å; I326-N349 PolarHBondContact O-OD1 2.87Å; I326-C350 PolarHBondContact O-N 3.47Å |
| 327 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.3 | -172.9 | -168.7 | 0 | 0 | 0 | 0 | 109.3 | S302 I303 E304 D305 W315 Q325 C350 L352 | S302-V327 WeakPolarHBondContact OG-CG2 3.41Å; I303-V327 PolarHBondContact O-N 2.92Å; E304-V327 WeakPolarHBondContact CA-O 3.36Å; E304-V327 HydrophobicContact CB-CB 3.76Å; E304-V327 HydrophobicContact CB-CG1 4.4Å; E304-V327 HydrophobicContact CB-CG2 4.33Å; E304-V327 HydrophobicContact CG-CB 3.95Å; E304-V327 HydrophobicContact CG-CG1 4.12Å; D305-V327 PolarHBondContact N-O 3.07Å; D305-V327 VanDerWaalsContact N-O 3.12Å; W315-V327 WeakPolarHBondContact CH2-O 3.48Å; Q325-V327 HydrophobicContact CG-CG2 3.85Å; V327-C350 CarbonylContact C-O 3.56Å; V327-C350 WeakPolarHBondContact CA-O 3.45Å; V327-C350 HydrophobicContact CB-CB 4.35Å; V327-C350 HydrophobicContact CG1-CB 4.41Å; V327-C350 HydrophobicContact CG2-CB 3.98Å; V327-L352 HydrophobicContact CG1-CB 3.72Å; V327-L352 HydrophobicContact CG1-CD1 4.07Å |
| 328 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 115.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T332 C350 L352 | G328-T332 PolarHBondContact O-OG1 3.38Å; G328-C350 PolarHBondContact N-O 3.21Å; G328-L352 PolarHBondContact O-N 2.84Å |
| 329 | D | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -105.3 | -84.5 | 171.8 | 174.9 | 27.6 | 0 | 0 | 0 | 110.2 | E304 D305 L331 T332 V333 L352 K354 Q357 | E304-D329 HydrophobicContact CG-CB 3.95Å; E304-D329 WeakPolarHBondContact OE1-CB 3.28Å; D305-D329 PolarHBondContact OD1-N 3.43Å; D305-D329 WeakPolarHBondContact OD2-CB 3.45Å; D329-L331 PolarHBondContact O-N 3.38Å; D329-T332 PolarHBondContact O-N 2.78Å; D329-T332 PolarHBondContact O-OG1 3.1Å; D329-V333 WeakPolarHBondContact O-CA 3.43Å; D329-V333 PolarHBondContact O-N 2.96Å; D329-L352 HydrophobicContact CB-CB 3.78Å; D329-L352 HydrophobicContact CB-CD2 3.63Å; D329-L352 HydrophobicContact CB-CG 4.33Å; D329-L352 WeakPolarHBondContact OD1-CD2 3.4Å; D329-K354 WeakPolarHBondContact OD1-CD 3.42Å; D329-K354 IonicContact OD1-NZ 3.03Å; D329-K354 PolarHBondContact OD1-NZ 2.62Å; D329-K354 IonicContact OD2-NZ 2.85Å; D329-K354 PolarHBondContact OD2-NZ 3.39Å; D329-Q357 PolarHBondContact OD1-NE2 3.19Å |
| 330 | D | 95.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.4 | 178 | -71.3 | -27 | 0 | 0 | 0 | 111.9 | G53 D305 Q309 T332 V333 | G53-D330 WeakPolarHBondContact CA-OD1 3.19Å; G53-D330 PolarHBondContact N-OD1 3.49Å; D305-D330 PolarHBondContact OD1-N 2.96Å; D305-D330 VanDerWaalsContact OD2-CB 3.29Å; D305-D330 WeakPolarHBondContact OD2-CB 3.5Å; D305-D330 PolarHBondContact OD2-N 2.67Å; Q309-D330 HydrophobicContact CB-CB 4.01Å; D330-T332 VanDerWaalsContact C-N 3.25Å; D330-T332 PolarHBondContact O-N 3.37Å; D330-V333 WeakPolarHBondContact O-CG1 3.41Å |
| 331 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -39.8 | 171.3 | -178.3 | 69.8 | 0 | 0 | 0 | 112.3 | Q309 W312 W315 D329 R338 A342 A347 C348 | Q309-L331 WeakPolarHBondContact O-CD1 3.43Å; W312-L331 HydrophobicContact CD2-CD1 4.09Å; W312-L331 HydrophobicContact CE3-CD1 3.72Å; W312-L331 HydrophobicContact CH2-CD1 3.62Å; W312-L331 HydrophobicContact CH2-CG 4.03Å; W312-L331 HydrophobicContact CZ2-CD1 4Å; W312-L331 HydrophobicContact CZ3-CD1 3.45Å; W312-L331 VanDerWaalsContact CZ3-CD1 3.45Å; W312-L331 HydrophobicContact CZ3-CD2 4.1Å; W312-L331 HydrophobicContact CZ3-CG 3.89Å; W315-L331 HydrophobicContact CD2-CD1 4.38Å; W315-L331 HydrophobicContact CD2-CD2 3.69Å; W315-L331 HydrophobicContact CD2-CG 4.48Å; W315-L331 HydrophobicContact CE3-CD2 3.69Å; W315-L331 HydrophobicContact CG-CD1 4.41Å; W315-L331 HydrophobicContact CG-CD2 4.26Å; W315-L331 HydrophobicContact CH2-CB 3.92Å; W315-L331 HydrophobicContact CH2-CD2 3.91Å; W315-L331 HydrophobicContact CH2-CG 4.5Å; W315-L331 HydrophobicContact CZ2-CB 3.64Å; W315-L331 HydrophobicContact CZ2-CD1 4.46Å; W315-L331 HydrophobicContact CZ2-CD2 3.99Å; W315-L331 HydrophobicContact CZ2-CG 4.23Å; W315-L331 HydrophobicContact CZ3-CD2 3.79Å; D329-L331 PolarHBondContact O-N 3.38Å; L331-R338 PolarHBondContact O-NE 2.96Å; L331-A342 HydrophobicContact CD2-CB 4.27Å; L331-A347 HydrophobicContact CD2-CB 3.96Å; L331-C348 HydrophobicContact CD2-CB 4.46Å |
| 332 | T | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -25.1 | -169.2 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | G328 D329 D330 T334 N335 I339 A342 L351 | G328-T332 PolarHBondContact O-OG1 3.38Å; D329-T332 PolarHBondContact O-N 2.78Å; D329-T332 PolarHBondContact O-OG1 3.1Å; D330-T332 VanDerWaalsContact C-N 3.25Å; D330-T332 PolarHBondContact O-N 3.37Å; T332-T334 PolarHBondContact O-N 3.31Å; T332-N335 WeakPolarHBondContact O-CB 3.46Å; T332-N335 PolarHBondContact O-N 3.48Å; T332-I339 HydrophobicContact CG2-CG1 4.32Å; T332-A342 HydrophobicContact CG2-CB 4.2Å; T332-L351 WeakPolarHBondContact OG1-CD1 3.35Å |
| 333 | V | 96.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | 36.9 | -179.4 | -68 | 0 | 0 | 0 | 0 | 113.6 | H55 E56 D329 D330 N335 Q357 | H55-V333 HydrophobicContact CB-CG1 4.39Å; H55-V333 HydrophobicContact CB-CG2 3.71Å; E56-V333 HydrophobicContact CG-CB 4.05Å; E56-V333 HydrophobicContact CG-CG1 3.67Å; D329-V333 WeakPolarHBondContact O-CA 3.43Å; D329-V333 PolarHBondContact O-N 2.96Å; D330-V333 WeakPolarHBondContact O-CG1 3.41Å; V333-N335 HydrophobicContact CG2-CB 3.83Å; V333-N335 PolarHBondContact O-N 3.05Å; V333-Q357 VanDerWaalsContact C-OE1 3.27Å; V333-Q357 WeakPolarHBondContact O-CB 3.08Å |
| 334 | T | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 23.1 | -174.3 | -47.4 | 0 | 0 | 0 | 0 | 113.4 | T332 L352 L353 K354 Q357 I358 A367 | T332-T334 PolarHBondContact O-N 3.31Å; T334-L352 PolarHBondContact OG1-O 2.84Å; T334-L353 HydrophobicContact CG2-CG 4.01Å; T334-K354 PolarHBondContact OG1-N 3.45Å; T334-K354 PolarHBondContact OG1-O 3.45Å; T334-Q357 PolarHBondContact OG1-OE1 2.9Å; T334-I358 HydrophobicContact CG2-CB 4.13Å; T334-I358 HydrophobicContact CG2-CG2 3.89Å; T334-A367 HydrophobicContact CG2-CB 3.98Å |
| 335 | N | 95.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 31.1 Ų | 31.1 | 20% | 0.203 | 15% | 0.148 | C | C | . | . | trans | -99.6 | 119.3 | -174.3 | -175.8 | -45.2 | 0 | 0 | 0 | 110.9 | T332 V333 K337 R338 I339 I358 | T332-N335 WeakPolarHBondContact O-CB 3.46Å; T332-N335 PolarHBondContact O-N 3.48Å; V333-N335 HydrophobicContact CG2-CB 3.83Å; V333-N335 PolarHBondContact O-N 3.05Å; N335-K337 PolarHBondContact O-N 3.26Å; N335-K337 VanDerWaalsContact O-N 3.08Å; N335-K337 WeakPolarHBondContact OD1-CB 3.37Å; N335-K337 PolarHBondContact OD1-N 2.75Å; N335-R338 HydrophobicContact CB-CB 4.49Å; N335-R338 PolarHBondContact O-N 3.17Å; N335-I339 VanDerWaalsContact O-CG1 3.31Å; N335-I339 WeakPolarHBondContact O-CG1 3.48Å; N335-I339 PolarHBondContact O-N 2.91Å; N335-I358 HydrophobicContact CB-CD1 4.36Å | ||
| 336 | P | 94.1 | Very high | 97.7 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -52.9 | -33.7 | -178.7 | -29.7 | 36.2 | 0 | 0 | 0 | 115.2 | Q340 L370 | P336-Q340 VanDerWaalsContact O-CB 3.31Å; P336-Q340 WeakPolarHBondContact O-CB 3.47Å; P336-Q340 PolarHBondContact O-N 3.37Å; P336-L370 HydrophobicContact CB-CD2 4.16Å; P336-L370 WeakPolarHBondContact O-CD2 3.5Å |
| 337 | K | 95.4 | Very high | 97.7 | Very high | 137 Ų | 137 | 38.8 Ų | 38.8 | 60% | 0.596 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -67.3 | -44.8 | 178.2 | -63.2 | -178.3 | -177.6 | 177.8 | 0 | 111.7 | E112 N335 Q340 Q341 | E112-K337 IonicContact OE1-NZ 3.87Å; E112-K337 PolarHBondContact OE1-NZ 3.36Å; N335-K337 PolarHBondContact O-N 3.26Å; N335-K337 VanDerWaalsContact O-N 3.08Å; N335-K337 WeakPolarHBondContact OD1-CB 3.37Å; N335-K337 PolarHBondContact OD1-N 2.75Å; K337-Q340 PolarHBondContact O-N 2.99Å; K337-Q341 PolarHBondContact O-N 2.75Å; K337-Q341 VanDerWaalsContact O-N 3.09Å |
| 338 | R | 97.6 | Very high | 97.7 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.9 | -36.1 | 178.4 | -66.9 | -159.3 | 73.5 | 100.9 | -11.5 | 111.8 | H55 Q309 D310 L331 N335 Q340 Q341 A342 | H55-R338 VanDerWaalsContact CD2-CZ 3.42Å; H55-R338 PolarHBondContact CD2-NH1 3.2Å; H55-R338 PolarHBondContact NE2-NH1 3.34Å; Q309-R338 PolarHBondContact O-NH2 3.48Å; D310-R338 IonicContact OD1-CZ 2.65Å; D310-R338 IonicContact OD1-NH1 3.39Å; D310-R338 IonicContact OD1-NH2 3.61Å; D310-R338 PolarHBondContact OD1-NH2 2.8Å; L331-R338 PolarHBondContact O-NE 2.96Å; N335-R338 HydrophobicContact CB-CB 4.49Å; N335-R338 PolarHBondContact O-N 3.17Å; R338-Q340 VanDerWaalsContact C-N 3.34Å; R338-Q340 PolarHBondContact O-N 3.1Å; R338-Q341 PolarHBondContact O-N 3.43Å; R338-A342 VanDerWaalsContact O-CB 3.26Å; R338-A342 WeakPolarHBondContact O-CB 3.33Å; R338-A342 PolarHBondContact O-N 3.38Å |
| 339 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.9 | -49.2 | 171.6 | -65.5 | 165.2 | 0 | 0 | 0 | 110 | T332 N335 Q341 A342 V343 L351 A367 L370 W376 | T332-I339 HydrophobicContact CG2-CG1 4.32Å; N335-I339 VanDerWaalsContact O-CG1 3.31Å; N335-I339 WeakPolarHBondContact O-CG1 3.48Å; N335-I339 PolarHBondContact O-N 2.91Å; I339-Q341 VanDerWaalsContact C-N 3.35Å; I339-Q341 PolarHBondContact O-N 3.07Å; I339-A342 PolarHBondContact O-N 2.9Å; I339-A342 VanDerWaalsContact O-N 3.14Å; I339-V343 HydrophobicContact CG2-CG2 4.41Å; I339-V343 WeakPolarHBondContact O-CG2 3.14Å; I339-V343 PolarHBondContact O-N 3.37Å; I339-L351 HydrophobicContact CD1-CD1 3.86Å; I339-L351 HydrophobicContact CD1-CD2 3.88Å; I339-L351 HydrophobicContact CD1-CG 4.5Å; I339-L351 HydrophobicContact CG1-CD1 4.07Å; I339-A367 HydrophobicContact CD1-CB 3.69Å; I339-L370 HydrophobicContact CB-CD2 3.96Å; I339-L370 HydrophobicContact CG2-CD2 3.67Å; I339-L370 HydrophobicContact CG2-CG 3.85Å; I339-W376 HydrophobicContact CG2-CZ3 4.3Å |
| 340 | Q | 98.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 178 | -176.7 | 60.2 | 49 | 0 | 0 | 111.9 | P336 K337 R338 A342 V343 E344 | P336-Q340 VanDerWaalsContact O-CB 3.31Å; P336-Q340 WeakPolarHBondContact O-CB 3.47Å; P336-Q340 PolarHBondContact O-N 3.37Å; K337-Q340 PolarHBondContact O-N 2.99Å; R338-Q340 VanDerWaalsContact C-N 3.34Å; R338-Q340 PolarHBondContact O-N 3.1Å; Q340-A342 VanDerWaalsContact C-N 3.33Å; Q340-A342 PolarHBondContact O-N 3Å; Q340-V343 PolarHBondContact O-N 2.72Å; Q340-E344 WeakPolarHBondContact CG-OE1 3.29Å; Q340-E344 PolarHBondContact NE2-OE1 3.47Å; Q340-E344 WeakPolarHBondContact O-CG 3.46Å; Q340-E344 PolarHBondContact O-N 3.04Å |
| 341 | Q | 98.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.5 | -176.8 | -179.6 | 10.2 | 0 | 0 | 112.3 | W312 K337 R338 I339 E344 K345 | W312-Q341 HydrophobicContact CH2-CB 4.23Å; W312-Q341 HydrophobicContact CH2-CG 3.93Å; W312-Q341 VanDerWaalsContact CZ2-CD 3.4Å; W312-Q341 HydrophobicContact CZ2-CG 4.01Å; W312-Q341 HydrophobicContact CZ3-CG 4.35Å; K337-Q341 PolarHBondContact O-N 2.75Å; K337-Q341 VanDerWaalsContact O-N 3.09Å; R338-Q341 PolarHBondContact O-N 3.43Å; I339-Q341 VanDerWaalsContact C-N 3.35Å; I339-Q341 PolarHBondContact O-N 3.07Å; Q341-E344 PolarHBondContact O-N 2.82Å; Q341-K345 HydrophobicContact CG-CD 4.03Å; Q341-K345 WeakPolarHBondContact O-CB 3.32Å; Q341-K345 WeakPolarHBondContact O-CG 3.41Å; Q341-K345 PolarHBondContact O-N 2.88Å |
| 342 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -36.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W312 L331 T332 R338 I339 Q340 K346 A347 W376 | W312-A342 HydrophobicContact CH2-CB 4.06Å; W312-A342 HydrophobicContact CZ3-CB 3.63Å; L331-A342 HydrophobicContact CD2-CB 4.27Å; T332-A342 HydrophobicContact CG2-CB 4.2Å; R338-A342 VanDerWaalsContact O-CB 3.26Å; R338-A342 WeakPolarHBondContact O-CB 3.33Å; R338-A342 PolarHBondContact O-N 3.38Å; I339-A342 PolarHBondContact O-N 2.9Å; I339-A342 VanDerWaalsContact O-N 3.14Å; Q340-A342 VanDerWaalsContact C-N 3.33Å; Q340-A342 PolarHBondContact O-N 3Å; A342-K346 WeakPolarHBondContact O-CA 3.41Å; A342-K346 PolarHBondContact O-N 2.87Å; A342-A347 HydrophobicContact CB-CB 4.14Å; A342-A347 PolarHBondContact O-N 2.82Å; A342-W376 HydrophobicContact CB-CH2 3.59Å; A342-W376 HydrophobicContact CB-CZ2 4.4Å; A342-W376 HydrophobicContact CB-CZ3 4.49Å |
| 343 | V | 98.4 | Very high | 97.9 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 21% | 0.212 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 170.4 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | I339 Q340 K345 K346 W376 | I339-V343 HydrophobicContact CG2-CG2 4.41Å; I339-V343 WeakPolarHBondContact O-CG2 3.14Å; I339-V343 PolarHBondContact O-N 3.37Å; Q340-V343 PolarHBondContact O-N 2.72Å; V343-K345 VanDerWaalsContact C-N 3.3Å; V343-K345 PolarHBondContact O-N 2.75Å; V343-K346 PolarHBondContact O-N 3.27Å; V343-K346 VanDerWaalsContact O-N 3.07Å; V343-W376 HydrophobicContact CB-CZ2 4.2Å; V343-W376 HydrophobicContact CG2-CD2 4.27Å; V343-W376 HydrophobicContact CG2-CH2 3.87Å; V343-W376 HydrophobicContact CG2-CZ2 3.5Å; V343-W376 VanDerWaalsContact CG2-CZ2 3.5Å; V343-W376 HydrophobicContact CG2-CZ3 4.41Å |
| 344 | E | 98.4 | Very high | 98 | Very high | 136 Ų | 136 | 40.9 Ų | 40.9 | 64% | 0.636 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -60.5 | -39.6 | -180 | -73.9 | 167.2 | -166.2 | 0 | 0 | 112.6 | Q340 Q341 K346 | Q340-E344 WeakPolarHBondContact CG-OE1 3.29Å; Q340-E344 PolarHBondContact NE2-OE1 3.47Å; Q340-E344 WeakPolarHBondContact O-CG 3.46Å; Q340-E344 PolarHBondContact O-N 3.04Å; Q341-E344 PolarHBondContact O-N 2.82Å; E344-K346 VanDerWaalsContact C-N 3.3Å |
| 345 | K | 98.5 | Very high | 98 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 42% | 0.422 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81.6 | -6.9 | 178.1 | -70.5 | 176.6 | 173.6 | -70.9 | 0 | 113.8 | W312 A316 Q341 V343 A347 | W312-K345 HydrophobicContact CB-CD 3.99Å; W312-K345 HydrophobicContact CD2-CD 3.67Å; W312-K345 HydrophobicContact CE3-CB 4.49Å; W312-K345 HydrophobicContact CE3-CD 3.49Å; W312-K345 VanDerWaalsContact CE3-CD 3.49Å; W312-K345 HydrophobicContact CG-CD 3.91Å; W312-K345 HydrophobicContact CZ3-CD 4.21Å; A316-K345 WeakPolarHBondContact CB-O 3.34Å; Q341-K345 HydrophobicContact CG-CD 4.03Å; Q341-K345 WeakPolarHBondContact O-CB 3.32Å; Q341-K345 WeakPolarHBondContact O-CG 3.41Å; Q341-K345 PolarHBondContact O-N 2.88Å; V343-K345 VanDerWaalsContact C-N 3.3Å; V343-K345 PolarHBondContact O-N 2.75Å; K345-A347 HydrophobicContact CB-CB 4.32Å; K345-A347 PolarHBondContact O-N 2.63Å |
| 346 | K | 98.4 | Very high | 98.1 | Very high | 161 Ų | 161 | 39.8 Ų | 39.8 | 70% | 0.7 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.8 | -171.2 | -54.9 | -179.3 | 179.7 | -177.2 | 0 | 111.7 | A342 V343 E344 | A342-K346 WeakPolarHBondContact O-CA 3.41Å; A342-K346 PolarHBondContact O-N 2.87Å; V343-K346 PolarHBondContact O-N 3.27Å; V343-K346 VanDerWaalsContact O-N 3.07Å; E344-K346 VanDerWaalsContact C-N 3.3Å |
| 347 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -73.4 | -37.7 | -171 | 0 | 0 | 0 | 0 | 0 | 111.9 | W312 W315 T319 L331 A342 K345 | W312-A347 HydrophobicContact CE3-CB 3.87Å; W312-A347 HydrophobicContact CZ3-CB 3.94Å; W315-A347 CarbonylContact C-O 3.56Å; W315-A347 HydrophobicContact CB-CB 3.97Å; T319-A347 WeakPolarHBondContact CB-O 3.49Å; T319-A347 PolarHBondContact OG1-O 3.14Å; L331-A347 HydrophobicContact CD2-CB 3.96Å; A342-A347 HydrophobicContact CB-CB 4.14Å; A342-A347 PolarHBondContact O-N 2.82Å; K345-A347 HydrophobicContact CB-CB 4.32Å; K345-A347 PolarHBondContact O-N 2.63Å | ||
| 348 | C | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | trans | -145.7 | -179.5 | 176.8 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | W315 I326 L331 W376 | W315-C348 HydrophobicContact CE3-CB 4.04Å; W315-C348 HydrophobicContact CZ3-CB 3.83Å; I326-C348 HydrophobicContact CB-CB 4.35Å; I326-C348 HydrophobicContact CG2-CB 3.87Å; I326-C348 WeakPolarHBondContact O-CB 3.38Å; L331-C348 HydrophobicContact CD2-CB 4.46Å; C348-W376 WeakPolarHBondContact O-CZ2 3.47Å; C348-W376 PolarHBondContact O-NE1 3.37Å; C348-W376 WeakPolarHBondContact SG-CH2 3.44Å; C348-W376 WeakPolarHBondContact SG-CZ3 3.4Å | ||
| 349 | N | 98.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 17% | 0.171 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -136.2 | 13.2 | -179.6 | 66.3 | 25.9 | 0 | 0 | 0 | 113.3 | I324 Q325 I326 W376 G377 R440 | I324-N349 PolarHBondContact O-ND2 2.89Å; Q325-N349 WeakPolarHBondContact CA-OD1 3.24Å; I326-N349 PolarHBondContact N-OD1 2.97Å; I326-N349 PolarHBondContact O-N 2.84Å; I326-N349 PolarHBondContact O-OD1 2.87Å; N349-W376 VanDerWaalsContact O-CA 3.27Å; N349-W376 WeakPolarHBondContact O-CA 3.39Å; N349-W376 WeakPolarHBondContact O-CB 3.13Å; N349-G377 PolarHBondContact O-N 2.91Å; N349-R440 PolarHBondContact ND2-NH2 3.35Å |
| 350 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 140.8 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | Q325 I326 V327 G328 G377 | Q325-C350 VanDerWaalsContact CD-SG 3.57Å; Q325-C350 HydrophobicContact CG-CB 3.49Å; Q325-C350 VanDerWaalsContact CG-CB 3.49Å; I326-C350 PolarHBondContact O-N 3.47Å; V327-C350 CarbonylContact C-O 3.56Å; V327-C350 WeakPolarHBondContact CA-O 3.45Å; V327-C350 HydrophobicContact CB-CB 4.35Å; V327-C350 HydrophobicContact CG1-CB 4.41Å; V327-C350 HydrophobicContact CG2-CB 3.98Å; G328-C350 PolarHBondContact N-O 3.21Å; C350-G377 VanDerWaalsContact CA-O 3.27Å; C350-G377 WeakPolarHBondContact CA-O 3.22Å; C350-G377 PolarHBondContact SG-O 3.03Å |
| 351 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.1 | 170.8 | 168.4 | 64.8 | 0 | 0 | 0 | 109.6 | T332 I339 L353 A367 A371 W376 G377 V378 M379 | T332-L351 WeakPolarHBondContact OG1-CD1 3.35Å; I339-L351 HydrophobicContact CD1-CD1 3.86Å; I339-L351 HydrophobicContact CD1-CD2 3.88Å; I339-L351 HydrophobicContact CD1-CG 4.5Å; I339-L351 HydrophobicContact CG1-CD1 4.07Å; L351-L353 HydrophobicContact CD2-CB 4.33Å; L351-L353 HydrophobicContact CD2-CD1 4.47Å; L351-L353 HydrophobicContact CG-CB 4.39Å; L351-A367 HydrophobicContact CD2-CB 4.21Å; L351-A371 HydrophobicContact CB-CB 3.85Å; L351-A371 HydrophobicContact CD2-CB 4.01Å; L351-W376 HydrophobicContact CB-CE3 4.5Å; L351-G377 PolarHBondContact N-O 3.19Å; L351-V378 HydrophobicContact CB-CG1 4.48Å; L351-V378 HydrophobicContact CB-CG2 4.31Å; L351-V378 HydrophobicContact CD2-CG1 4.28Å; L351-V378 HydrophobicContact CG-CG1 4.45Å; L351-V378 CarbonylContact O-C 3.57Å; L351-V378 WeakPolarHBondContact O-CA 3.42Å; L351-M379 PolarHBondContact O-N 2.88Å |
| 352 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.3 | 156.8 | -160.5 | 81.4 | 0 | 0 | 0 | 109.3 | E304 V327 G328 D329 T334 K354 M379 K405 | E304-L352 WeakPolarHBondContact OE1-CD2 3.3Å; V327-L352 HydrophobicContact CG1-CB 3.72Å; V327-L352 HydrophobicContact CG1-CD1 4.07Å; G328-L352 PolarHBondContact O-N 2.84Å; D329-L352 HydrophobicContact CB-CB 3.78Å; D329-L352 HydrophobicContact CB-CD2 3.63Å; D329-L352 HydrophobicContact CB-CG 4.33Å; D329-L352 WeakPolarHBondContact OD1-CD2 3.4Å; T334-L352 PolarHBondContact OG1-O 2.84Å; L352-K354 HydrophobicContact CD2-CD 3.99Å; L352-K354 VanDerWaalsContact CD2-CE 3.43Å; L352-K354 HydrophobicContact CD2-CG 4.19Å; L352-M379 WeakPolarHBondContact CA-O 3.5Å; L352-M379 HydrophobicContact CD1-CB 3.96Å; L352-M379 HydrophobicContact CD1-CG 3.94Å; L352-M379 HydrophobicContact CD1-SD 3.88Å; L352-K405 HydrophobicContact CD1-CD 3.93Å; L352-K405 HydrophobicContact CD1-CG 4.2Å |
| 353 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.1 | -176.5 | -171 | 160 | 0 | 0 | 0 | 110.1 | T334 L351 V355 S364 C368 V378 M379 S381 L395 L399 | T334-L353 HydrophobicContact CG2-CG 4.01Å; L351-L353 HydrophobicContact CD2-CB 4.33Å; L351-L353 HydrophobicContact CD2-CD1 4.47Å; L351-L353 HydrophobicContact CG-CB 4.39Å; L353-V355 HydrophobicContact CD2-CG1 3.89Å; L353-S364 WeakPolarHBondContact CD1-O 3.38Å; L353-C368 HydrophobicContact CD1-CB 3.61Å; L353-V378 HydrophobicContact CB-CG1 3.75Å; L353-V378 HydrophobicContact CD1-CG1 3.88Å; L353-M379 PolarHBondContact N-O 3.28Å; L353-S381 PolarHBondContact O-N 2.9Å; L353-L395 HydrophobicContact CD2-CD2 3.93Å; L353-L399 HydrophobicContact CD1-CD1 3.92Å |
| 354 | K | 98.7 | Very high | 98.4 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | trans | -114.3 | 108.5 | 172.7 | -71.8 | 166.9 | 168.8 | 165.2 | 0 | 108.9 | D329 T334 L352 N356 Q357 | D329-K354 WeakPolarHBondContact OD1-CD 3.42Å; D329-K354 IonicContact OD1-NZ 3.03Å; D329-K354 PolarHBondContact OD1-NZ 2.62Å; D329-K354 IonicContact OD2-NZ 2.85Å; D329-K354 PolarHBondContact OD2-NZ 3.39Å; T334-K354 PolarHBondContact OG1-N 3.45Å; T334-K354 PolarHBondContact OG1-O 3.45Å; L352-K354 HydrophobicContact CD2-CD 3.99Å; L352-K354 VanDerWaalsContact CD2-CE 3.43Å; L352-K354 HydrophobicContact CD2-CG 4.19Å; K354-N356 PolarHBondContact O-N 3.17Å; K354-Q357 HydrophobicContact CB-CB 4.21Å; K354-Q357 HydrophobicContact CB-CG 3.57Å; K354-Q357 VanDerWaalsContact CD-CD 3.47Å; K354-Q357 HydrophobicContact CD-CG 3.95Å; K354-Q357 HydrophobicContact CG-CG 4.42Å; K354-Q357 WeakPolarHBondContact O-CB 3.48Å; K354-Q357 PolarHBondContact O-N 2.72Å | ||
| 355 | V | 97.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.5 | -30.5 | -174.2 | -66.8 | 0 | 0 | 0 | 0 | 113.9 | L123 L353 G359 S364 L395 | L123-V355 HydrophobicContact CD1-CB 4.17Å; L123-V355 HydrophobicContact CD1-CG2 4.38Å; L123-V355 HydrophobicContact CD2-CG2 4.13Å; L353-V355 HydrophobicContact CD2-CG1 3.89Å; V355-G359 PolarHBondContact O-N 2.99Å; V355-S364 WeakPolarHBondContact CA-OG 3.18Å; V355-L395 HydrophobicContact CG1-CD2 3.38Å |
| 356 | N | 97 | Very high | 98.4 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 6% | 0.059 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -81.1 | -17.5 | 179.7 | 76.7 | -41.5 | 0 | 0 | 0 | 113.8 | V46 P47 L123 K354 I358 R383 | V46-N356 HydrophobicContact CG1-CB 4.39Å; P47-N356 HydrophobicContact CG-CB 4.32Å; P47-N356 PolarHBondContact O-ND2 3.29Å; L123-N356 VanDerWaalsContact CD2-CA 3.47Å; L123-N356 HydrophobicContact CD2-CB 3.42Å; L123-N356 VanDerWaalsContact CD2-CB 3.42Å; K354-N356 PolarHBondContact O-N 3.17Å; N356-I358 VanDerWaalsContact C-N 3.27Å; N356-I358 PolarHBondContact O-N 2.95Å; N356-R383 PolarHBondContact ND2-NH1 2.95Å; N356-R383 VanDerWaalsContact OD1-CD 3.27Å; N356-R383 WeakPolarHBondContact OD1-CD 3.36Å; N356-R383 WeakPolarHBondContact OD1-CG 3.42Å; N356-R383 PolarHBondContact OD1-NH1 2.62Å |
| 357 | Q | 96.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.009 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -68.3 | -29.6 | 172.8 | -69.4 | -172.7 | -40.5 | 0 | 0 | 111.9 | E56 A57 D329 V333 T334 K354 | E56-Q357 VanDerWaalsContact CD-CG 3.45Å; E56-Q357 HydrophobicContact CG-CB 4.13Å; E56-Q357 HydrophobicContact CG-CG 3.77Å; E56-Q357 PolarHBondContact OE1-NE2 2.68Å; A57-Q357 WeakPolarHBondContact CB-O 3.31Å; A57-Q357 PolarHBondContact N-O 3.01Å; D329-Q357 PolarHBondContact OD1-NE2 3.19Å; V333-Q357 VanDerWaalsContact C-OE1 3.27Å; V333-Q357 WeakPolarHBondContact O-CB 3.08Å; T334-Q357 PolarHBondContact OG1-OE1 2.9Å; K354-Q357 HydrophobicContact CB-CB 4.21Å; K354-Q357 HydrophobicContact CB-CG 3.57Å; K354-Q357 VanDerWaalsContact CD-CD 3.47Å; K354-Q357 HydrophobicContact CD-CG 3.95Å; K354-Q357 HydrophobicContact CG-CG 4.42Å; K354-Q357 WeakPolarHBondContact O-CB 3.48Å; K354-Q357 PolarHBondContact O-N 2.72Å |
| 358 | I | 97.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 10.7 Ų | 10.7 | 5% | 0.051 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -103.9 | -31.1 | 177.1 | -161.4 | 56.8 | 0 | 0 | 0 | 112.9 | K114 T334 N335 N356 E363 S364 | K114-I358 WeakPolarHBondContact CD-O 3.49Å; K114-I358 WeakPolarHBondContact CE-O 3.31Å; K114-I358 PolarHBondContact NZ-O 2.7Å; T334-I358 HydrophobicContact CG2-CB 4.13Å; T334-I358 HydrophobicContact CG2-CG2 3.89Å; N335-I358 HydrophobicContact CB-CD1 4.36Å; N356-I358 VanDerWaalsContact C-N 3.27Å; N356-I358 PolarHBondContact O-N 2.95Å; I358-E363 HydrophobicContact CB-CB 4.46Å; I358-E363 HydrophobicContact CG1-CB 3.51Å; I358-E363 HydrophobicContact CG1-CG 4.33Å; I358-E363 HydrophobicContact CG2-CB 4.09Å; I358-S364 VanDerWaalsContact CG2-OG 3.24Å; I358-S364 WeakPolarHBondContact CG2-OG 3.35Å |
| 359 | G | 97.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | 94.9 | 3.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | I122 L123 V355 | I122-G359 WeakPolarHBondContact CG2-O 3.33Å; L123-G359 WeakPolarHBondContact CA-O 3.2Å; L123-G359 PolarHBondContact N-O 2.95Å; V355-G359 PolarHBondContact O-N 2.99Å | ||
| 360 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -147.9 | 155.1 | 169.5 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | E363 S364 | S360-E363 WeakPolarHBondContact CB-OE2 3.45Å; S360-E363 WeakPolarHBondContact OG-CB 3.27Å; S360-E363 VanDerWaalsContact OG-CG 3.32Å; S360-E363 WeakPolarHBondContact OG-CG 3.37Å; S360-E363 PolarHBondContact OG-N 2.89Å; S360-E363 PolarHBondContact OG-OE2 2.94Å; S360-S364 WeakPolarHBondContact O-CB 3.42Å; S360-S364 PolarHBondContact O-N 3.01Å; S360-S364 VanDerWaalsContact O-N 3.13Å; S360-S364 PolarHBondContact O-OG 3.49Å |
| 361 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | Q98 S126 L127 C130 S364 I365 F391 | Q98-V361 HydrophobicContact CG-CB 4.43Å; Q98-V361 HydrophobicContact CG-CG1 4.35Å; S126-V361 WeakPolarHBondContact OG-CG2 3.34Å; S126-V361 PolarHBondContact OG-N 3.1Å; L127-V361 HydrophobicContact CD2-CG2 3.68Å; L127-V361 HydrophobicContact CG-CG2 4.43Å; C130-V361 HydrophobicContact CB-CG2 4.36Å; V361-S364 WeakPolarHBondContact O-CB 3.37Å; V361-S364 PolarHBondContact O-N 3.26Å; V361-I365 HydrophobicContact CG1-CD1 3.8Å; V361-I365 HydrophobicContact CG1-CG1 4.36Å; V361-I365 WeakPolarHBondContact O-CG1 3.2Å; V361-I365 PolarHBondContact O-N 2.93Å; V361-F391 HydrophobicContact CG1-CZ 4.29Å; V361-F391 HydrophobicContact CG2-CE1 4.2Å; V361-F391 HydrophobicContact CG2-CE2 4.48Å; V361-F391 HydrophobicContact CG2-CZ 3.68Å |
| 362 | T | 98.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 17.3 Ų | 17.3 | 10% | 0.104 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | -180 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | E99 D102 S364 I365 Q366 | E99-T362 WeakPolarHBondContact CA-OG1 3.28Å; E99-T362 HydrophobicContact CB-CG2 4.16Å; E99-T362 HydrophobicContact CG-CG2 4Å; D102-T362 WeakPolarHBondContact OD2-CB 3.02Å; D102-T362 PolarHBondContact OD2-N 2.74Å; D102-T362 PolarHBondContact OD2-OG1 3.14Å; T362-S364 VanDerWaalsContact C-N 3.26Å; T362-S364 PolarHBondContact O-N 3.19Å; T362-I365 PolarHBondContact O-N 3.08Å; T362-Q366 WeakPolarHBondContact O-CG 3.38Å; T362-Q366 PolarHBondContact O-N 3.04Å |
| 363 | E | 98.6 | Very high | 98.2 | Very high | 32 Ų | 32 | 23 Ų | 23 | 15% | 0.15 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.6 | -33 | 178.9 | -67.9 | 164.2 | 107.6 | 0 | 0 | 111.4 | L106 K114 I358 S360 Q366 A367 | L106-E363 HydrophobicContact CD1-CG 4.19Å; L106-E363 WeakPolarHBondContact CD2-OE2 3.02Å; K114-E363 WeakPolarHBondContact CE-OE2 3.39Å; K114-E363 IonicContact NZ-OE1 2.71Å; K114-E363 PolarHBondContact NZ-OE1 3.12Å; K114-E363 IonicContact NZ-OE2 3.79Å; K114-E363 PolarHBondContact NZ-OE2 3.19Å; I358-E363 HydrophobicContact CB-CB 4.46Å; I358-E363 HydrophobicContact CG1-CB 3.51Å; I358-E363 HydrophobicContact CG1-CG 4.33Å; I358-E363 HydrophobicContact CG2-CB 4.09Å; S360-E363 WeakPolarHBondContact CB-OE2 3.45Å; S360-E363 WeakPolarHBondContact OG-CB 3.27Å; S360-E363 VanDerWaalsContact OG-CG 3.32Å; S360-E363 WeakPolarHBondContact OG-CG 3.37Å; S360-E363 PolarHBondContact OG-N 2.89Å; S360-E363 PolarHBondContact OG-OE2 2.94Å; E363-Q366 PolarHBondContact O-N 3.31Å; E363-A367 WeakPolarHBondContact O-CB 3.48Å; E363-A367 PolarHBondContact O-N 2.96Å |
| 364 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | L353 V355 I358 S360 V361 T362 Q366 A367 C368 | L353-S364 WeakPolarHBondContact CD1-O 3.38Å; V355-S364 WeakPolarHBondContact CA-OG 3.18Å; I358-S364 VanDerWaalsContact CG2-OG 3.24Å; I358-S364 WeakPolarHBondContact CG2-OG 3.35Å; S360-S364 WeakPolarHBondContact O-CB 3.42Å; S360-S364 PolarHBondContact O-N 3.01Å; S360-S364 VanDerWaalsContact O-N 3.13Å; S360-S364 PolarHBondContact O-OG 3.49Å; V361-S364 WeakPolarHBondContact O-CB 3.37Å; V361-S364 PolarHBondContact O-N 3.26Å; T362-S364 VanDerWaalsContact C-N 3.26Å; T362-S364 PolarHBondContact O-N 3.19Å; S364-Q366 VanDerWaalsContact C-N 3.3Å; S364-Q366 PolarHBondContact O-N 3Å; S364-A367 PolarHBondContact O-N 3.39Å; S364-C368 PolarHBondContact O-N 2.85Å |
| 365 | I | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 174.9 | -66.3 | 167.4 | 0 | 0 | 0 | 110.2 | L148 A149 V361 T362 C368 K369 L399 | L148-I365 HydrophobicContact CB-CD1 3.81Å; L148-I365 HydrophobicContact CD1-CD1 4.3Å; A149-I365 HydrophobicContact CB-CG2 4.14Å; V361-I365 HydrophobicContact CG1-CD1 3.8Å; V361-I365 HydrophobicContact CG1-CG1 4.36Å; V361-I365 WeakPolarHBondContact O-CG1 3.2Å; V361-I365 PolarHBondContact O-N 2.93Å; T362-I365 PolarHBondContact O-N 3.08Å; I365-C368 WeakPolarHBondContact O-CB 3.48Å; I365-C368 PolarHBondContact O-N 3.34Å; I365-K369 HydrophobicContact CG2-CD 4.2Å; I365-K369 WeakPolarHBondContact O-CG 3.19Å; I365-K369 PolarHBondContact O-N 2.86Å; I365-L399 HydrophobicContact CB-CD2 4.4Å; I365-L399 HydrophobicContact CG1-CD2 3.95Å; I365-L399 HydrophobicContact CG2-CD2 4.31Å |
| 366 | Q | 98.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 27.3 Ų | 27.3 | 42% | 0.421 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.2 | -43 | 177.7 | -71.4 | 170.9 | -6 | 0 | 0 | 112.2 | T362 E363 S364 K369 L370 | T362-Q366 WeakPolarHBondContact O-CG 3.38Å; T362-Q366 PolarHBondContact O-N 3.04Å; E363-Q366 PolarHBondContact O-N 3.31Å; S364-Q366 VanDerWaalsContact C-N 3.3Å; S364-Q366 PolarHBondContact O-N 3Å; Q366-K369 PolarHBondContact O-N 2.72Å; Q366-L370 WeakPolarHBondContact O-CB 3.34Å; Q366-L370 PolarHBondContact O-N 2.89Å |
| 367 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T334 I339 L351 E363 S364 L370 A371 | T334-A367 HydrophobicContact CG2-CB 3.98Å; I339-A367 HydrophobicContact CD1-CB 3.69Å; L351-A367 HydrophobicContact CD2-CB 4.21Å; E363-A367 WeakPolarHBondContact O-CB 3.48Å; E363-A367 PolarHBondContact O-N 2.96Å; S364-A367 PolarHBondContact O-N 3.39Å; A367-L370 PolarHBondContact O-N 3.04Å; A367-A371 PolarHBondContact O-N 3.1Å |
| 368 | C | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.2 | -50.4 | 174 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | L353 S364 I365 L370 A371 Q372 L399 | L353-C368 HydrophobicContact CD1-CB 3.61Å; S364-C368 PolarHBondContact O-N 2.85Å; I365-C368 WeakPolarHBondContact O-CB 3.48Å; I365-C368 PolarHBondContact O-N 3.34Å; C368-L370 VanDerWaalsContact C-N 3.35Å; C368-L370 PolarHBondContact O-N 3.39Å; C368-A371 PolarHBondContact O-N 3.3Å; C368-Q372 WeakPolarHBondContact O-CG 3.35Å; C368-Q372 PolarHBondContact O-N 3.01Å; C368-L399 HydrophobicContact CB-CD1 4Å; C368-L399 HydrophobicContact CB-CD2 4.27Å |
| 369 | K | 98.1 | Very high | 98.4 | Very high | 80 Ų | 80 | 26.4 Ų | 26.4 | 35% | 0.348 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 179.1 | -75.9 | 177.7 | 176.1 | -178.3 | 0 | 112 | A149 I365 Q366 Q372 T373 | A149-K369 WeakPolarHBondContact O-CE 3.35Å; A149-K369 PolarHBondContact O-NZ 2.78Å; I365-K369 HydrophobicContact CG2-CD 4.2Å; I365-K369 WeakPolarHBondContact O-CG 3.19Å; I365-K369 PolarHBondContact O-N 2.86Å; Q366-K369 PolarHBondContact O-N 2.72Å; K369-Q372 PolarHBondContact O-N 3.37Å; K369-T373 WeakPolarHBondContact O-CB 3.47Å; K369-T373 VanDerWaalsContact O-CG2 3.25Å; K369-T373 WeakPolarHBondContact O-CG2 3.46Å; K369-T373 PolarHBondContact O-N 3.12Å; K369-T373 PolarHBondContact O-OG1 2.96Å |
| 370 | L | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 26.4 Ų | 26.4 | 20% | 0.199 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 177.5 | 177.7 | 60.3 | 0 | 0 | 0 | 111.3 | P336 I339 Q366 A367 C368 T373 S374 | P336-L370 HydrophobicContact CB-CD2 4.16Å; P336-L370 WeakPolarHBondContact O-CD2 3.5Å; I339-L370 HydrophobicContact CB-CD2 3.96Å; I339-L370 HydrophobicContact CG2-CD2 3.67Å; I339-L370 HydrophobicContact CG2-CG 3.85Å; Q366-L370 WeakPolarHBondContact O-CB 3.34Å; Q366-L370 PolarHBondContact O-N 2.89Å; A367-L370 PolarHBondContact O-N 3.04Å; C368-L370 VanDerWaalsContact C-N 3.35Å; C368-L370 PolarHBondContact O-N 3.39Å; L370-T373 PolarHBondContact O-OG1 3.01Å; L370-S374 WeakPolarHBondContact O-CB 3.26Å; L370-S374 PolarHBondContact O-N 3.18Å; L370-S374 VanDerWaalsContact O-N 3.12Å; L370-S374 PolarHBondContact O-OG 2.64Å |
| 371 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -52.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L351 A367 C368 T373 S374 G375 W376 V378 | L351-A371 HydrophobicContact CB-CB 3.85Å; L351-A371 HydrophobicContact CD2-CB 4.01Å; A367-A371 PolarHBondContact O-N 3.1Å; C368-A371 PolarHBondContact O-N 3.3Å; A371-T373 PolarHBondContact O-N 3.13Å; A371-S374 CarbonylContact O-C 3.58Å; A371-S374 WeakPolarHBondContact O-CA 3.42Å; A371-S374 WeakPolarHBondContact O-CB 3.34Å; A371-S374 PolarHBondContact O-N 3.5Å; A371-G375 PolarHBondContact O-N 3.45Å; A371-W376 HydrophobicContact CB-CB 4.15Å; A371-W376 HydrophobicContact CB-CE3 4.3Å; A371-W376 WeakPolarHBondContact O-CB 3.45Å; A371-W376 PolarHBondContact O-N 3.15Å; A371-V378 HydrophobicContact CB-CG2 3.68Å |
| 372 | Q | 97.8 | Very high | 98.5 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 26% | 0.262 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.3 | -42.9 | -178.7 | -72.4 | 176.1 | -24.3 | 0 | 0 | 112.8 | C368 K369 S374 G375 V378 L399 | C368-Q372 WeakPolarHBondContact O-CG 3.35Å; C368-Q372 PolarHBondContact O-N 3.01Å; K369-Q372 PolarHBondContact O-N 3.37Å; Q372-S374 PolarHBondContact O-N 3.05Å; Q372-G375 PolarHBondContact O-N 2.68Å; Q372-V378 HydrophobicContact CG-CG2 3.96Å; Q372-L399 PolarHBondContact NE2-O 2.98Å; Q372-L399 VanDerWaalsContact NE2-O 3.12Å |
| 373 | T | 97.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 26.1 Ų | 26.1 | 73% | 0.73 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -69.1 | -21.6 | 177.3 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | K369 L370 A371 G375 | K369-T373 WeakPolarHBondContact O-CB 3.47Å; K369-T373 VanDerWaalsContact O-CG2 3.25Å; K369-T373 WeakPolarHBondContact O-CG2 3.46Å; K369-T373 PolarHBondContact O-N 3.12Å; K369-T373 PolarHBondContact O-OG1 2.96Å; L370-T373 PolarHBondContact O-OG1 3.01Å; A371-T373 PolarHBondContact O-N 3.13Å; T373-G375 PolarHBondContact O-N 3.05Å |
| 374 | S | 97.9 | Very high | 98 | Very high | 42 Ų | 42 | 24.8 Ų | 24.8 | 29% | 0.294 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 5.6 | 171.5 | -55.2 | 0 | 0 | 0 | 0 | 113 | L370 A371 Q372 | L370-S374 WeakPolarHBondContact O-CB 3.26Å; L370-S374 PolarHBondContact O-N 3.18Å; L370-S374 VanDerWaalsContact O-N 3.12Å; L370-S374 PolarHBondContact O-OG 2.64Å; A371-S374 CarbonylContact O-C 3.58Å; A371-S374 WeakPolarHBondContact O-CA 3.42Å; A371-S374 WeakPolarHBondContact O-CB 3.34Å; A371-S374 PolarHBondContact O-N 3.5Å; Q372-S374 PolarHBondContact O-N 3.05Å |
| 375 | G | 97.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 24.8 Ų | 24.8 | 49% | 0.485 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 20.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | A371 Q372 T373 H441 | A371-G375 PolarHBondContact O-N 3.45Å; Q372-G375 PolarHBondContact O-N 2.68Å; T373-G375 PolarHBondContact O-N 3.05Å; G375-H441 PolarHBondContact O-CE1 3.26Å |
| 376 | W | 98.6 | Very high | 97.8 | Very high | 19 Ų | 19 | 24.6 Ų | 24.6 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | trans | -91.9 | 155.2 | 176.8 | -68.7 | 9.3 | 0 | 0 | 0 | 112.4 | I339 A342 V343 C348 N349 L351 A371 | I339-W376 HydrophobicContact CG2-CZ3 4.3Å; A342-W376 HydrophobicContact CB-CH2 3.59Å; A342-W376 HydrophobicContact CB-CZ2 4.4Å; A342-W376 HydrophobicContact CB-CZ3 4.49Å; V343-W376 HydrophobicContact CB-CZ2 4.2Å; V343-W376 HydrophobicContact CG2-CD2 4.27Å; V343-W376 HydrophobicContact CG2-CH2 3.87Å; V343-W376 HydrophobicContact CG2-CZ2 3.5Å; V343-W376 VanDerWaalsContact CG2-CZ2 3.5Å; V343-W376 HydrophobicContact CG2-CZ3 4.41Å; C348-W376 WeakPolarHBondContact O-CZ2 3.47Å; C348-W376 PolarHBondContact O-NE1 3.37Å; C348-W376 WeakPolarHBondContact SG-CH2 3.44Å; C348-W376 WeakPolarHBondContact SG-CZ3 3.4Å; N349-W376 VanDerWaalsContact O-CA 3.27Å; N349-W376 WeakPolarHBondContact O-CA 3.39Å; N349-W376 WeakPolarHBondContact O-CB 3.13Å; L351-W376 HydrophobicContact CB-CE3 4.5Å; A371-W376 HydrophobicContact CB-CB 4.15Å; A371-W376 HydrophobicContact CB-CE3 4.3Å; A371-W376 WeakPolarHBondContact O-CB 3.45Å; A371-W376 PolarHBondContact O-N 3.15Å | ||
| 377 | G | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 165 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N349 C350 L351 R440 | N349-G377 PolarHBondContact O-N 2.91Å; C350-G377 VanDerWaalsContact CA-O 3.27Å; C350-G377 WeakPolarHBondContact CA-O 3.22Å; C350-G377 PolarHBondContact SG-O 3.03Å; L351-G377 PolarHBondContact N-O 3.19Å; G377-R440 WeakPolarHBondContact CA-O 3.07Å |
| 378 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 122.4 | 170.1 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L351 L353 A371 Q372 T401 Q403 | L351-V378 HydrophobicContact CB-CG1 4.48Å; L351-V378 HydrophobicContact CB-CG2 4.31Å; L351-V378 HydrophobicContact CD2-CG1 4.28Å; L351-V378 HydrophobicContact CG-CG1 4.45Å; L351-V378 CarbonylContact O-C 3.57Å; L351-V378 WeakPolarHBondContact O-CA 3.42Å; L353-V378 HydrophobicContact CB-CG1 3.75Å; L353-V378 HydrophobicContact CD1-CG1 3.88Å; A371-V378 HydrophobicContact CB-CG2 3.68Å; Q372-V378 HydrophobicContact CG-CG2 3.96Å; V378-T401 HydrophobicContact CB-CG2 3.94Å; V378-T401 HydrophobicContact CG1-CG2 3.99Å; V378-T401 WeakPolarHBondContact O-CB 3.39Å; V378-T401 PolarHBondContact O-OG1 3.38Å; V378-Q403 VanDerWaalsContact O-CG 3.25Å; V378-Q403 WeakPolarHBondContact O-CG 3.49Å |
| 379 | M | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.9 | 172.7 | -176.8 | -177.2 | -61 | 0 | 0 | 109 | A160 L351 L352 L353 Q403 K405 | A160-M379 HydrophobicContact CB-CE 4.49Å; A160-M379 HydrophobicContact CB-SD 4.45Å; L351-M379 PolarHBondContact O-N 2.88Å; L352-M379 WeakPolarHBondContact CA-O 3.5Å; L352-M379 HydrophobicContact CD1-CB 3.96Å; L352-M379 HydrophobicContact CD1-CG 3.94Å; L352-M379 HydrophobicContact CD1-SD 3.88Å; L353-M379 PolarHBondContact N-O 3.28Å; M379-Q403 HydrophobicContact CB-CG 4.05Å; M379-Q403 HydrophobicContact CG-CG 4.41Å; M379-K405 HydrophobicContact CG-CB 4.44Å; M379-K405 HydrophobicContact CG-CG 4.45Å; M379-K405 HydrophobicContact SD-CB 3.76Å; M379-K405 HydrophobicContact SD-CD 3.98Å; M379-K405 HydrophobicContact SD-CG 3.9Å |
| 380 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137 | 171.9 | 175.3 | 0 | 0 | 0 | 0 | 108.3 | I392 L395 V396 L399 T401 Q403 I404 K405 | V380-I392 HydrophobicContact CG1-CB 3.83Å; V380-I392 HydrophobicContact CG1-CG2 4.29Å; V380-L395 HydrophobicContact CG1-CD2 4.16Å; V380-V396 HydrophobicContact CB-CB 3.84Å; V380-V396 HydrophobicContact CB-CG2 3.99Å; V380-V396 HydrophobicContact CG1-CB 4.26Å; V380-V396 HydrophobicContact CG2-CB 3.75Å; V380-V396 HydrophobicContact CG2-CG2 3.86Å; V380-L399 HydrophobicContact CG2-CD1 4.49Å; V380-T401 HydrophobicContact CG2-CG2 4.03Å; V380-Q403 PolarHBondContact N-O 3.09Å; V380-I404 HydrophobicContact CB-CG1 4.46Å; V380-I404 CarbonylContact O-C 3.46Å; V380-I404 VanDerWaalsContact O-CA 3.29Å; V380-I404 WeakPolarHBondContact O-CA 3.21Å; V380-I404 WeakPolarHBondContact O-CG1 3.26Å; V380-K405 PolarHBondContact O-N 3.46Å |
| 381 | S | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.2 | -173.2 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | L353 K405 | L353-S381 PolarHBondContact O-N 2.9Å; S381-K405 WeakPolarHBondContact CA-O 3.35Å; S381-K405 VanDerWaalsContact OG-CE 3.24Å; S381-K405 WeakPolarHBondContact OG-CE 3.39Å; S381-K405 WeakPolarHBondContact OG-CG 3.44Å |
| 382 | H | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -69.8 | -173.9 | 159.5 | 71.3 | 168.8 | 0 | 0 | 0 | 112.3 | E221 E386 I392 K405 T406 G407 R414 | E221-H382 IonicContact OE1-CE1 3.63Å; E221-H382 IonicContact OE1-NE2 2.71Å; E221-H382 PolarHBondContact OE1-NE2 2.88Å; E221-H382 IonicContact OE2-CE1 2.68Å; E221-H382 PolarHBondContact OE2-CE1 3.01Å; E221-H382 IonicContact OE2-NE2 3.77Å; E221-H382 PolarHBondContact OE2-NE2 2.92Å; H382-E386 HydrophobicContact CB-CG 3.86Å; H382-I392 HydrophobicContact CB-CD1 3.88Å; H382-K405 PolarHBondContact CD2-O 2.8Å; H382-K405 PolarHBondContact N-O 3.3Å; H382-T406 WeakPolarHBondContact ND1-CA 3.22Å; H382-G407 VanDerWaalsContact CE1-CA 3.43Å; H382-G407 WeakPolarHBondContact CE1-CA 3.5Å; H382-G407 PolarHBondContact CE1-N 3.01Å; H382-G407 PolarHBondContact ND1-N 2.69Å; H382-R414 PolarHBondContact ND1-NH1 3.18Å; H382-R414 VanDerWaalsContact ND1-NH1 3.11Å | ||
| 383 | R | 96.2 | Very high | 98 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 2% | 0.019 | 13% | 0.129 | C | C | . | . | trans | -120.7 | 164.1 | 159.4 | -53.3 | -62.9 | -66 | -102.9 | 11.8 | 110.4 | P47 S48 S51 E56 N356 G385 E386 R414 | P47-R383 HydrophobicContact CB-CB 4.02Å; P47-R383 HydrophobicContact CB-CG 3.85Å; P47-R383 HydrophobicContact CG-CG 3.96Å; S48-R383 WeakPolarHBondContact O-CB 3.26Å; S51-R383 PolarHBondContact O-NH2 3.35Å; E56-R383 IonicContact OE1-CZ 2.97Å; E56-R383 IonicContact OE1-NH1 2.75Å; E56-R383 IonicContact OE1-NH2 2.91Å; E56-R383 PolarHBondContact OE1-NH2 3.11Å; E56-R383 IonicContact OE2-CZ 3.95Å; E56-R383 IonicContact OE2-NH1 3.45Å; E56-R383 PolarHBondContact OE2-NH1 2.99Å; E56-R383 IonicContact OE2-NH2 2.53Å; E56-R383 PolarHBondContact OE2-NH2 3.03Å; N356-R383 PolarHBondContact ND2-NH1 2.95Å; N356-R383 VanDerWaalsContact OD1-CD 3.27Å; N356-R383 WeakPolarHBondContact OD1-CD 3.36Å; N356-R383 WeakPolarHBondContact OD1-CG 3.42Å; N356-R383 PolarHBondContact OD1-NH1 2.62Å; R383-G385 VanDerWaalsContact C-N 3.33Å; R383-G385 PolarHBondContact O-N 2.88Å; R383-E386 WeakPolarHBondContact O-CG 3.37Å; R383-R414 PolarHBondContact O-NH1 3.21Å | ||
| 384 | S | 92.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -63.4 | -33.9 | 176.1 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | S25 A50 H169 E221 R414 | S25-S384 PolarHBondContact OG-O 2.91Å; A50-S384 VanDerWaalsContact CB-OG 3.22Å; A50-S384 WeakPolarHBondContact CB-OG 3.4Å; A50-S384 PolarHBondContact N-OG 2.62Å; H169-S384 WeakPolarHBondContact NE2-CB 3.28Å; E221-S384 WeakPolarHBondContact OE1-CA 3.45Å; S384-R414 PolarHBondContact O-NH2 2.66Å |
| 385 | G | 95.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.082 | C | C | . | . | B | Isolated β-bridge | trans | -91.9 | 92.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P47 S48 R383 | P47-G385 CarbonylContact C-O 3.58Å; P47-G385 WeakPolarHBondContact CA-O 3.26Å; P47-G385 WeakPolarHBondContact CB-O 3.27Å; S48-G385 PolarHBondContact N-O 2.96Å; S48-G385 CarbonylContact O-C 3.58Å; S48-G385 WeakPolarHBondContact O-CA 3.39Å; S48-G385 PolarHBondContact O-N 3.18Å; R383-G385 VanDerWaalsContact C-N 3.33Å; R383-G385 PolarHBondContact O-N 2.88Å |
| 386 | E | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 11.8 Ų | 11.8 | 3% | 0.028 | 6% | 0.059 | C | C | . | . | trans | -101.2 | 173.3 | 176.7 | -105.3 | -70.3 | -173.4 | 0 | 0 | 112.3 | D24 S25 H382 R383 E413 R414 K417 | D24-E386 CarbonylContact C-O 3.58Å; D24-E386 WeakPolarHBondContact CA-O 3.28Å; S25-E386 WeakPolarHBondContact CB-O 3.34Å; S25-E386 PolarHBondContact N-O 2.86Å; S25-E386 PolarHBondContact OG-N 3.47Å; S25-E386 PolarHBondContact OG-O 3.28Å; H382-E386 HydrophobicContact CB-CG 3.86Å; R383-E386 WeakPolarHBondContact O-CG 3.37Å; E386-E413 HydrophobicContact CB-CB 3.89Å; E386-E413 HydrophobicContact CB-CG 3.66Å; E386-R414 VanDerWaalsContact CB-NH1 3.33Å; E386-K417 VanDerWaalsContact CD-CE 3.43Å; E386-K417 VanDerWaalsContact OE1-CE 3.23Å; E386-K417 WeakPolarHBondContact OE1-CE 3.22Å; E386-K417 IonicContact OE1-NZ 3.57Å; E386-K417 PolarHBondContact OE1-NZ 3.32Å; E386-K417 WeakPolarHBondContact OE2-CE 3.18Å; E386-K417 IonicContact OE2-NZ 3.76Å; E386-K417 PolarHBondContact OE2-NZ 3.33Å | ||
| 387 | T | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 3% | 0.025 | 6% | 0.056 | C | C | . | . | trans | -122.6 | -178.2 | 175.8 | 68.1 | 0 | 0 | 0 | 0 | 109.8 | I22 T30 A45 D389 E413 K417 | I22-T387 HydrophobicContact CD1-CG2 4.43Å; T30-T387 HydrophobicContact CG2-CG2 3.89Å; A45-T387 HydrophobicContact CB-CG2 3.9Å; T387-D389 PolarHBondContact O-N 2.83Å; T387-D389 VanDerWaalsContact OG1-CB 3.28Å; T387-D389 WeakPolarHBondContact OG1-CB 3.22Å; T387-D389 PolarHBondContact OG1-N 3.48Å; T387-D389 VanDerWaalsContact OG1-N 3.17Å; T387-E413 WeakPolarHBondContact O-CB 3.43Å; T387-K417 PolarHBondContact O-NZ 2.88Å | ||
| 388 | E | 98.7 | Very high | 98.2 | Very high | 125 Ų | 125 | 10.8 Ų | 10.8 | 58% | 0.584 | 6% | 0.055 | S | C | * | . | S | Bend | trans | -72.9 | -8.1 | 170 | 66.3 | -93 | -125.2 | 0 | 0 | 113.8 | ||
| 389 | D | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 10.8 Ų | 10.8 | 10% | 0.096 | 6% | 0.055 | C | C | . | . | trans | -59.5 | 143.2 | 178.8 | -160 | -45.6 | 0 | 0 | 0 | 110.5 | A44 A45 K131 T387 F391 K417 | A44-D389 WeakPolarHBondContact CA-OD2 3.3Å; A45-D389 HydrophobicContact CB-CB 4.35Å; A45-D389 PolarHBondContact N-OD2 3.11Å; K131-D389 IonicContact NZ-OD1 3.67Å; K131-D389 PolarHBondContact NZ-OD1 2.87Å; K131-D389 IonicContact NZ-OD2 3.43Å; K131-D389 PolarHBondContact NZ-OD2 3.25Å; T387-D389 PolarHBondContact O-N 2.83Å; T387-D389 VanDerWaalsContact OG1-CB 3.28Å; T387-D389 WeakPolarHBondContact OG1-CB 3.22Å; T387-D389 PolarHBondContact OG1-N 3.48Å; T387-D389 VanDerWaalsContact OG1-N 3.17Å; D389-F391 WeakPolarHBondContact OD1-CB 3.29Å; D389-F391 PolarHBondContact OD1-N 3.06Å; D389-K417 WeakPolarHBondContact O-CD 3.15Å; D389-K417 WeakPolarHBondContact O-CE 3.17Å; D389-K417 PolarHBondContact O-NZ 3.25Å | ||
| 390 | T | 98.9 | Very high | 98.2 | Very high | 34 Ų | 34 | 10.8 Ų | 10.8 | 21% | 0.209 | 6% | 0.055 | C | C | . | . | trans | -115.4 | 12 | -177.1 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | I392 S393 A416 Q420 | T390-I392 PolarHBondContact O-N 2.56Å; T390-I392 VanDerWaalsContact O-N 3.08Å; T390-S393 VanDerWaalsContact O-CB 3.27Å; T390-S393 WeakPolarHBondContact O-CB 3.27Å; T390-S393 PolarHBondContact O-N 3.06Å; T390-A416 HydrophobicContact CG2-CB 3.75Å; T390-A416 VanDerWaalsContact CG2-O 3.27Å; T390-A416 WeakPolarHBondContact CG2-O 3.25Å; T390-Q420 HydrophobicContact CG2-CB 4.05Å | ||
| 391 | F | 98.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 10.9 Ų | 10.9 | 4% | 0.035 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -49 | -42.2 | -174.1 | -173.5 | -89.1 | 0 | 0 | 0 | 114 | L127 C130 L141 I145 V361 D389 S393 D394 L395 | L127-F391 HydrophobicContact CB-CD2 4.39Å; L127-F391 HydrophobicContact CB-CE2 4.45Å; L127-F391 HydrophobicContact CD2-CB 4.49Å; L127-F391 HydrophobicContact CD2-CD1 3.41Å; L127-F391 VanDerWaalsContact CD2-CD1 3.41Å; L127-F391 HydrophobicContact CD2-CD2 3.7Å; L127-F391 HydrophobicContact CD2-CE1 3.33Å; L127-F391 HydrophobicContact CD2-CE2 3.64Å; L127-F391 HydrophobicContact CD2-CG 3.6Å; L127-F391 HydrophobicContact CD2-CZ 3.47Å; L127-F391 VanDerWaalsContact CD2-CZ 3.47Å; C130-F391 HydrophobicContact CB-CE2 3.95Å; C130-F391 HydrophobicContact CB-CZ 4.29Å; L141-F391 HydrophobicContact CD1-CE2 4.28Å; L141-F391 HydrophobicContact CD2-CD2 3.78Å; L141-F391 HydrophobicContact CD2-CE2 4.08Å; I145-F391 HydrophobicContact CD1-CE1 4.34Å; I145-F391 HydrophobicContact CD1-CE2 4.23Å; I145-F391 HydrophobicContact CD1-CZ 3.9Å; V361-F391 HydrophobicContact CG1-CZ 4.29Å; V361-F391 HydrophobicContact CG2-CE1 4.2Å; V361-F391 HydrophobicContact CG2-CE2 4.48Å; V361-F391 HydrophobicContact CG2-CZ 3.68Å; D389-F391 WeakPolarHBondContact OD1-CB 3.29Å; D389-F391 PolarHBondContact OD1-N 3.06Å; F391-S393 PolarHBondContact O-N 3.45Å; F391-D394 PolarHBondContact O-N 3.4Å; F391-L395 HydrophobicContact CD1-CB 4.2Å; F391-L395 HydrophobicContact CD1-CD2 4.47Å; F391-L395 HydrophobicContact CE1-CB 4.1Å; F391-L395 HydrophobicContact CE1-CD1 4.01Å; F391-L395 HydrophobicContact CE1-CD2 4.2Å; F391-L395 HydrophobicContact CE1-CG 4.33Å; F391-L395 WeakPolarHBondContact O-CB 3.36Å; F391-L395 PolarHBondContact O-N 3.35Å |
| 392 | I | 98.9 | Very high | 98.1 | Very high | 9 Ų | 9 | 10.8 Ų | 10.8 | 5% | 0.046 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.9 | -21.5 | -176.3 | 62.9 | 170.2 | 0 | 0 | 0 | 113.6 | V380 H382 T390 L395 V396 I404 K417 | V380-I392 HydrophobicContact CG1-CB 3.83Å; V380-I392 HydrophobicContact CG1-CG2 4.29Å; H382-I392 HydrophobicContact CB-CD1 3.88Å; T390-I392 PolarHBondContact O-N 2.56Å; T390-I392 VanDerWaalsContact O-N 3.08Å; I392-L395 PolarHBondContact O-N 3.24Å; I392-V396 WeakPolarHBondContact O-CG1 3.46Å; I392-V396 PolarHBondContact O-N 3.25Å; I392-I404 HydrophobicContact CD1-CD1 4.35Å; I392-I404 HydrophobicContact CG1-CD1 4.33Å; I392-K417 HydrophobicContact CD1-CG 3.99Å; I392-K417 HydrophobicContact CG1-CG 3.62Å |
| 393 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.9 | -45.3 | 172.2 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | T390 F391 L395 V396 V397 K417 L421 | T390-S393 VanDerWaalsContact O-CB 3.27Å; T390-S393 WeakPolarHBondContact O-CB 3.27Å; T390-S393 PolarHBondContact O-N 3.06Å; F391-S393 PolarHBondContact O-N 3.45Å; S393-L395 VanDerWaalsContact C-N 3.33Å; S393-V396 VanDerWaalsContact O-CG1 3.28Å; S393-V396 WeakPolarHBondContact O-CG1 3.35Å; S393-V397 WeakPolarHBondContact O-CG2 3.46Å; S393-V397 PolarHBondContact O-N 2.85Å; S393-K417 WeakPolarHBondContact OG-CA 3.36Å; S393-K417 WeakPolarHBondContact OG-CB 3.17Å; S393-K417 PolarHBondContact OG-O 3.34Å; S393-L421 WeakPolarHBondContact O-CD2 3.29Å |
| 394 | D | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 10.4 Ų | 10.4 | 3% | 0.032 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -70.6 | -34.3 | 174.5 | -75.3 | -99.6 | 0 | 0 | 0 | 111.2 | L141 Y142 I145 F391 G398 Q420 | L141-D394 HydrophobicContact CB-CB 4.01Å; L141-D394 WeakPolarHBondContact CB-OD1 3.2Å; L141-D394 HydrophobicContact CD2-CB 3.72Å; L141-D394 HydrophobicContact CG-CB 3.69Å; Y142-D394 WeakPolarHBondContact CA-O 3.42Å; Y142-D394 WeakPolarHBondContact CB-O 3.5Å; Y142-D394 PolarHBondContact N-OD1 3.31Å; I145-D394 HydrophobicContact CD1-CB 4.22Å; F391-D394 PolarHBondContact O-N 3.4Å; D394-G398 PolarHBondContact O-N 3.02Å; D394-Q420 PolarHBondContact OD2-NE2 3.02Å |
| 395 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 177.2 | -174.2 | 67.3 | 0 | 0 | 0 | 112.2 | I145 L353 V355 V380 F391 I392 S393 V397 G398 L399 | I145-L395 HydrophobicContact CD1-CB 4.3Å; I145-L395 HydrophobicContact CD1-CD1 4.25Å; I145-L395 HydrophobicContact CG2-CD1 3.93Å; L353-L395 HydrophobicContact CD2-CD2 3.93Å; V355-L395 HydrophobicContact CG1-CD2 3.38Å; V380-L395 HydrophobicContact CG1-CD2 4.16Å; F391-L395 HydrophobicContact CD1-CB 4.2Å; F391-L395 HydrophobicContact CD1-CD2 4.47Å; F391-L395 HydrophobicContact CE1-CB 4.1Å; F391-L395 HydrophobicContact CE1-CD1 4.01Å; F391-L395 HydrophobicContact CE1-CD2 4.2Å; F391-L395 HydrophobicContact CE1-CG 4.33Å; F391-L395 WeakPolarHBondContact O-CB 3.36Å; F391-L395 PolarHBondContact O-N 3.35Å; I392-L395 PolarHBondContact O-N 3.24Å; S393-L395 VanDerWaalsContact C-N 3.33Å; L395-V397 VanDerWaalsContact C-N 3.29Å; L395-V397 PolarHBondContact O-N 2.88Å; L395-G398 PolarHBondContact O-N 3.06Å; L395-L399 HydrophobicContact CD1-CD1 3.66Å; L395-L399 HydrophobicContact CD1-CG 3.87Å; L395-L399 HydrophobicContact CD2-CD1 4.36Å; L395-L399 HydrophobicContact CG-CD1 3.7Å; L395-L399 HydrophobicContact CG-CG 4.18Å; L395-L399 VanDerWaalsContact O-CB 3.25Å; L395-L399 WeakPolarHBondContact O-CB 3.47Å; L395-L399 VanDerWaalsContact O-CG 3.29Å; L395-L399 WeakPolarHBondContact O-CG 3.26Å; L395-L399 PolarHBondContact O-N 3.35Å |
| 396 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | -177.4 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | P157 V380 I392 S393 C400 T401 Q403 I404 L421 | P157-V396 HydrophobicContact CB-CG1 4.33Å; P157-V396 HydrophobicContact CB-CG2 3.7Å; P157-V396 HydrophobicContact CG-CG1 3.72Å; P157-V396 HydrophobicContact CG-CG2 4.05Å; V380-V396 HydrophobicContact CB-CB 3.84Å; V380-V396 HydrophobicContact CB-CG2 3.99Å; V380-V396 HydrophobicContact CG1-CB 4.26Å; V380-V396 HydrophobicContact CG2-CB 3.75Å; V380-V396 HydrophobicContact CG2-CG2 3.86Å; I392-V396 WeakPolarHBondContact O-CG1 3.46Å; I392-V396 PolarHBondContact O-N 3.25Å; S393-V396 VanDerWaalsContact O-CG1 3.28Å; S393-V396 WeakPolarHBondContact O-CG1 3.35Å; V396-C400 PolarHBondContact O-N 3.23Å; V396-C400 VanDerWaalsContact O-N 3.14Å; V396-T401 VanDerWaalsContact CG2-OG1 3.28Å; V396-T401 WeakPolarHBondContact CG2-OG1 3.2Å; V396-T401 PolarHBondContact O-N 3.01Å; V396-Q403 WeakPolarHBondContact CG2-O 3.28Å; V396-I404 HydrophobicContact CB-CB 4.41Å; V396-I404 HydrophobicContact CB-CD1 4.41Å; V396-I404 HydrophobicContact CG1-CB 4.27Å; V396-I404 HydrophobicContact CG1-CD1 3.92Å; V396-I404 HydrophobicContact CG2-CB 4.08Å; V396-L421 HydrophobicContact CG1-CD2 3.88Å |
| 397 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -69 | -46.1 | 176 | 175 | 0 | 0 | 0 | 0 | 110.4 | Y142 V154 L156 S393 L395 C400 L421 I424 | Y142-V397 HydrophobicContact CD2-CG1 4.01Å; Y142-V397 HydrophobicContact CG-CG1 4.14Å; V154-V397 HydrophobicContact CB-CG1 3.75Å; V154-V397 HydrophobicContact CG1-CG1 4.3Å; V154-V397 HydrophobicContact CG2-CG1 4.04Å; L156-V397 HydrophobicContact CD2-CG2 3.99Å; S393-V397 WeakPolarHBondContact O-CG2 3.46Å; S393-V397 PolarHBondContact O-N 2.85Å; L395-V397 VanDerWaalsContact C-N 3.29Å; L395-V397 PolarHBondContact O-N 2.88Å; V397-C400 PolarHBondContact O-N 3.08Å; V397-C400 PolarHBondContact O-SG 2.86Å; V397-L421 HydrophobicContact CG2-CD2 3.61Å; V397-I424 HydrophobicContact CG1-CG2 4.04Å; V397-I424 HydrophobicContact CG2-CD1 4.32Å; V397-I424 HydrophobicContact CG2-CG2 4.17Å |
| 398 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y142 A146 H151 D394 L395 C400 | Y142-G398 VanDerWaalsContact O-CA 3.28Å; Y142-G398 WeakPolarHBondContact O-CA 3.35Å; A146-G398 VanDerWaalsContact CA-O 3.28Å; A146-G398 WeakPolarHBondContact CA-O 3.4Å; A146-G398 WeakPolarHBondContact CB-O 3.38Å; H151-G398 PolarHBondContact CD2-O 3.02Å; H151-G398 VanDerWaalsContact CD2-O 3.29Å; D394-G398 PolarHBondContact O-N 3.02Å; L395-G398 PolarHBondContact O-N 3.06Å; G398-C400 PolarHBondContact O-N 3.01Å |
| 399 | L | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 4.6 Ų | 4.6 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -6.9 | 175.7 | -70.5 | -176 | 0 | 0 | 0 | 113.8 | I145 A149 H151 L353 I365 C368 Q372 V380 L395 T401 | I145-L399 HydrophobicContact CG2-CD2 4.49Å; I145-L399 HydrophobicContact CG2-CG 4.4Å; A149-L399 HydrophobicContact CB-CD2 3.88Å; H151-L399 PolarHBondContact NE2-O 2.85Å; L353-L399 HydrophobicContact CD1-CD1 3.92Å; I365-L399 HydrophobicContact CB-CD2 4.4Å; I365-L399 HydrophobicContact CG1-CD2 3.95Å; I365-L399 HydrophobicContact CG2-CD2 4.31Å; C368-L399 HydrophobicContact CB-CD1 4Å; C368-L399 HydrophobicContact CB-CD2 4.27Å; Q372-L399 PolarHBondContact NE2-O 2.98Å; Q372-L399 VanDerWaalsContact NE2-O 3.12Å; V380-L399 HydrophobicContact CG2-CD1 4.49Å; L395-L399 HydrophobicContact CD1-CD1 3.66Å; L395-L399 HydrophobicContact CD1-CG 3.87Å; L395-L399 HydrophobicContact CD2-CD1 4.36Å; L395-L399 HydrophobicContact CG-CD1 3.7Å; L395-L399 HydrophobicContact CG-CG 4.18Å; L395-L399 VanDerWaalsContact O-CB 3.25Å; L395-L399 WeakPolarHBondContact O-CB 3.47Å; L395-L399 VanDerWaalsContact O-CG 3.29Å; L395-L399 WeakPolarHBondContact O-CG 3.26Å; L395-L399 PolarHBondContact O-N 3.35Å; L399-T401 HydrophobicContact CB-CG2 3.46Å; L399-T401 VanDerWaalsContact CB-CG2 3.46Å; L399-T401 HydrophobicContact CD1-CG2 4.33Å; L399-T401 PolarHBondContact O-N 3.23Å |
| 400 | C | 98.6 | Very high | 98.8 | Very high | 1 Ų | 1 | 5.3 Ų | 5.3 | 1% | 0.007 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 37.9 | 179.1 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | D153 I155 V396 V397 G398 I444 | D153-C400 PolarHBondContact O-SG 3.19Å; I155-C400 VanDerWaalsContact CG2-CA 3.49Å; I155-C400 HydrophobicContact CG2-CB 3.7Å; V396-C400 PolarHBondContact O-N 3.23Å; V396-C400 VanDerWaalsContact O-N 3.14Å; V397-C400 PolarHBondContact O-N 3.08Å; V397-C400 PolarHBondContact O-SG 2.86Å; G398-C400 PolarHBondContact O-N 3.01Å; C400-I444 HydrophobicContact CB-CD1 3.36Å; C400-I444 HydrophobicContact CB-CG1 4.06Å |
| 401 | T | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.012 | 4% | 0.037 | C | C | . | . | trans | -81 | -20.4 | -170.9 | 84.2 | 0 | 0 | 0 | 0 | 113.5 | V378 V380 V396 L399 Q403 | V378-T401 HydrophobicContact CB-CG2 3.94Å; V378-T401 HydrophobicContact CG1-CG2 3.99Å; V378-T401 WeakPolarHBondContact O-CB 3.39Å; V378-T401 PolarHBondContact O-OG1 3.38Å; V380-T401 HydrophobicContact CG2-CG2 4.03Å; V396-T401 VanDerWaalsContact CG2-OG1 3.28Å; V396-T401 WeakPolarHBondContact CG2-OG1 3.2Å; V396-T401 PolarHBondContact O-N 3.01Å; L399-T401 HydrophobicContact CB-CG2 3.46Å; L399-T401 VanDerWaalsContact CB-CG2 3.46Å; L399-T401 HydrophobicContact CD1-CG2 4.33Å; L399-T401 PolarHBondContact O-N 3.23Å; T401-Q403 VanDerWaalsContact C-N 3.29Å; T401-Q403 PolarHBondContact O-N 2.82Å; T401-Q403 PolarHBondContact OG1-O 3.46Å | ||
| 402 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 78.4 | 2.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | P157 V158 A435 P442 | P157-G402 CarbonylContact C-O 3.56Å; P157-G402 VanDerWaalsContact CA-C 3.4Å; P157-G402 VanDerWaalsContact CA-O 3.31Å; P157-G402 WeakPolarHBondContact CA-O 3.35Å; V158-G402 PolarHBondContact N-O 3.24Å; G402-A435 WeakPolarHBondContact O-CB 3.42Å; G402-P442 VanDerWaalsContact CA-CG 3.46Å |
| 403 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 140.3 | 178.5 | 47.2 | -179.5 | -51.4 | 0 | 0 | 111.6 | V158 V378 M379 V380 V396 T401 F439 | V158-Q403 WeakPolarHBondContact O-CA 3.48Å; V378-Q403 VanDerWaalsContact O-CG 3.25Å; V378-Q403 WeakPolarHBondContact O-CG 3.49Å; M379-Q403 HydrophobicContact CB-CG 4.05Å; M379-Q403 HydrophobicContact CG-CG 4.41Å; V380-Q403 PolarHBondContact N-O 3.09Å; V396-Q403 WeakPolarHBondContact CG2-O 3.28Å; T401-Q403 VanDerWaalsContact C-N 3.29Å; T401-Q403 PolarHBondContact O-N 2.82Å; T401-Q403 PolarHBondContact OG1-O 3.46Å; Q403-F439 HydrophobicContact CB-CB 4.43Å; Q403-F439 HydrophobicContact CB-CD2 4.04Å; Q403-F439 VanDerWaalsContact CD-CD2 3.49Å; Q403-F439 HydrophobicContact CG-CD2 4.23Å; Q403-F439 PolarHBondContact NE2-O 3.2Å |
| 404 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.5 | 178.9 | -174.7 | 170.3 | 0 | 0 | 0 | 109.9 | P157 V158 P159 A160 V380 I392 V396 T406 L421 | P157-I404 HydrophobicContact CB-CB 4.24Å; P157-I404 HydrophobicContact CB-CG2 3.84Å; P157-I404 HydrophobicContact CG-CB 4.23Å; P157-I404 HydrophobicContact CG-CG2 3.53Å; V158-I404 PolarHBondContact O-N 2.86Å; V158-I404 VanDerWaalsContact O-N 3.09Å; P159-I404 CarbonylContact C-O 3.59Å; P159-I404 WeakPolarHBondContact CA-O 3.11Å; A160-I404 PolarHBondContact N-O 3.21Å; V380-I404 HydrophobicContact CB-CG1 4.46Å; V380-I404 CarbonylContact O-C 3.46Å; V380-I404 VanDerWaalsContact O-CA 3.29Å; V380-I404 WeakPolarHBondContact O-CA 3.21Å; V380-I404 WeakPolarHBondContact O-CG1 3.26Å; I392-I404 HydrophobicContact CD1-CD1 4.35Å; I392-I404 HydrophobicContact CG1-CD1 4.33Å; V396-I404 HydrophobicContact CB-CB 4.41Å; V396-I404 HydrophobicContact CB-CD1 4.41Å; V396-I404 HydrophobicContact CG1-CB 4.27Å; V396-I404 HydrophobicContact CG1-CD1 3.92Å; V396-I404 HydrophobicContact CG2-CB 4.08Å; I404-T406 HydrophobicContact CD1-CG2 3.91Å; I404-T406 HydrophobicContact CG1-CG2 4.11Å; I404-L421 HydrophobicContact CD1-CD1 4.25Å; I404-L421 HydrophobicContact CG2-CD1 3.96Å |
| 405 | K | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.9 | 160.7 | 76.9 | 174.7 | -166.3 | 171.6 | 0 | 109.7 | A160 E178 M180 D256 E304 L352 M379 V380 S381 H382 | A160-K405 HydrophobicContact CB-CB 3.98Å; E178-K405 IonicContact OE1-NZ 3.48Å; E178-K405 IonicContact OE2-NZ 3.8Å; E178-K405 PolarHBondContact OE2-NZ 2.95Å; M180-K405 HydrophobicContact CE-CD 4.4Å; M180-K405 HydrophobicContact SD-CB 4.13Å; M180-K405 HydrophobicContact SD-CD 4.02Å; D256-K405 IonicContact OD2-NZ 2.95Å; E304-K405 IonicContact OE1-NZ 3.3Å; E304-K405 PolarHBondContact OE1-NZ 2.62Å; E304-K405 WeakPolarHBondContact OE2-CE 3.36Å; E304-K405 IonicContact OE2-NZ 3.39Å; E304-K405 PolarHBondContact OE2-NZ 3.34Å; L352-K405 HydrophobicContact CD1-CD 3.93Å; L352-K405 HydrophobicContact CD1-CG 4.2Å; M379-K405 HydrophobicContact CG-CB 4.44Å; M379-K405 HydrophobicContact CG-CG 4.45Å; M379-K405 HydrophobicContact SD-CB 3.76Å; M379-K405 HydrophobicContact SD-CD 3.98Å; M379-K405 HydrophobicContact SD-CG 3.9Å; V380-K405 PolarHBondContact O-N 3.46Å; S381-K405 WeakPolarHBondContact CA-O 3.35Å; S381-K405 VanDerWaalsContact OG-CE 3.24Å; S381-K405 WeakPolarHBondContact OG-CE 3.39Å; S381-K405 WeakPolarHBondContact OG-CG 3.44Å; H382-K405 PolarHBondContact CD2-O 2.8Å; H382-K405 PolarHBondContact N-O 3.3Å |
| 406 | T | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -139.3 | 33.4 | 178.7 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | H382 I404 R414 K417 Y418 | H382-T406 WeakPolarHBondContact ND1-CA 3.22Å; I404-T406 HydrophobicContact CD1-CG2 3.91Å; I404-T406 HydrophobicContact CG1-CG2 4.11Å; T406-R414 WeakPolarHBondContact O-CA 3.38Å; T406-R414 WeakPolarHBondContact O-CB 3.45Å; T406-R414 WeakPolarHBondContact O-CD 3.49Å; T406-K417 HydrophobicContact CG2-CB 3.73Å; T406-K417 HydrophobicContact CG2-CG 4.48Å; T406-Y418 HydrophobicContact CG2-CD1 3.69Å; T406-Y418 HydrophobicContact CG2-CD2 4.21Å; T406-Y418 HydrophobicContact CG2-CE1 3.2Å; T406-Y418 HydrophobicContact CG2-CE2 3.77Å; T406-Y418 HydrophobicContact CG2-CG 4.17Å; T406-Y418 PolarHBondContact N-OH 3.22Å | ||
| 407 | G | 98.3 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | 93.1 | -174.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F161 H382 Y418 | F161-G407 WeakPolarHBondContact CA-O 3.11Å; H382-G407 VanDerWaalsContact CE1-CA 3.43Å; H382-G407 WeakPolarHBondContact CE1-CA 3.5Å; H382-G407 PolarHBondContact CE1-N 3.01Å; H382-G407 PolarHBondContact ND1-N 2.69Å; G407-Y418 PolarHBondContact N-OH 3.03Å; G407-Y418 VanDerWaalsContact O-CE2 3.3Å; G407-Y418 WeakPolarHBondContact O-CE2 3.45Å; G407-Y418 PolarHBondContact O-OH 3.34Å | ||
| 408 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -63.7 | 164.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N162 Y200 E221 G222 C410 R414 | N162-A408 WeakPolarHBondContact O-CA 3.49Å; N162-A408 WeakPolarHBondContact O-CB 3.17Å; N162-A408 PolarHBondContact O-N 2.79Å; Y200-A408 HydrophobicContact CD2-CB 4.45Å; Y200-A408 HydrophobicContact CE2-CB 4.01Å; E221-A408 WeakPolarHBondContact O-CB 3.15Å; E221-A408 PolarHBondContact O-N 3.18Å; G222-A408 WeakPolarHBondContact O-CB 3.35Å; A408-C410 HydrophobicContact CB-CB 3.96Å; A408-C410 PolarHBondContact O-N 3.02Å; A408-R414 WeakPolarHBondContact O-CB 3.29Å | ||
| 409 | P | 98.6 | Very high | 98.7 | Very high | 16 Ų | 16 | 17.9 Ų | 17.9 | 10% | 0.104 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -72 | 47.4 | 160.3 | 34 | -36.4 | 0 | 0 | 0 | 111.2 | F161 A197 Y200 L415 | F161-P409 HydrophobicContact CD1-CB 4.44Å; F161-P409 HydrophobicContact CD1-CG 4.44Å; F161-P409 HydrophobicContact CE1-CB 4.49Å; A197-P409 HydrophobicContact CB-CB 4.27Å; A197-P409 HydrophobicContact CB-CG 4.49Å; Y200-P409 HydrophobicContact CD1-CG 4.12Å; Y200-P409 HydrophobicContact CD2-CG 4.33Å; Y200-P409 HydrophobicContact CG-CG 3.78Å; P409-L415 HydrophobicContact CB-CD2 4.39Å |
| 410 | C | 98.5 | Very high | 98.7 | Very high | 32 Ų | 32 | 19.6 Ų | 19.6 | 22% | 0.216 | 11% | 0.11 | C | C | . | . | trans | -150.4 | 150 | -178.3 | -173.8 | 0 | 0 | 0 | 0 | 109 | Y200 A408 R414 | Y200-C410 HydrophobicContact CE1-CB 3.94Å; Y200-C410 WeakPolarHBondContact OH-CB 3.2Å; Y200-C410 PolarHBondContact OH-SG 3.18Å; A408-C410 HydrophobicContact CB-CB 3.96Å; A408-C410 PolarHBondContact O-N 3.02Å; C410-R414 WeakPolarHBondContact O-CB 3.19Å; C410-R414 VanDerWaalsContact O-CG 3.26Å; C410-R414 WeakPolarHBondContact O-CG 3.2Å | ||
| 411 | R | 98.3 | Very high | 98.8 | Very high | 81 Ų | 81 | 19.5 Ų | 19.5 | 31% | 0.306 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 66.6 | 132.8 | -173.4 | -48.4 | 174.6 | 51 | 101 | 7.5 | 113.2 | S25 V218 D220 E413 R414 L415 | S25-R411 PolarHBondContact O-NH2 3.03Å; V218-R411 HydrophobicContact CG2-CG 4.47Å; D220-R411 PolarHBondContact O-NE 3.29Å; R411-E413 WeakPolarHBondContact CB-OE1 3.42Å; R411-E413 WeakPolarHBondContact CB-OE2 3.37Å; R411-E413 IonicContact CZ-OE1 2.64Å; R411-E413 IonicContact NE-OE1 3.15Å; R411-E413 PolarHBondContact NE-OE1 3.42Å; R411-E413 IonicContact NE-OE2 2.9Å; R411-E413 IonicContact NH2-OE1 3.89Å; R411-E413 PolarHBondContact NH2-OE1 2.94Å; R411-E413 PolarHBondContact O-N 3.45Å; R411-R414 HydrophobicContact CB-CG 4.28Å; R411-R414 WeakPolarHBondContact O-CB 3.4Å; R411-R414 PolarHBondContact O-N 3.01Å; R411-R414 VanDerWaalsContact O-N 3.08Å; R411-L415 PolarHBondContact O-N 3.21Å |
| 412 | S | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 21.4 Ų | 21.4 | 65% | 0.65 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -73.9 | -24.3 | -164.2 | -64.7 | 0 | 0 | 0 | 0 | 114 | R414 L415 A416 | S412-R414 PolarHBondContact O-N 3.22Å; S412-L415 PolarHBondContact O-N 3.36Å; S412-A416 WeakPolarHBondContact O-CA 3.49Å; S412-A416 WeakPolarHBondContact O-CB 3.4Å; S412-A416 PolarHBondContact O-N 2.82Å |
| 413 | E | 98.6 | Very high | 98.8 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64 | -20.8 | 171.8 | 78.1 | -79.1 | -172.3 | 0 | 0 | 112.1 | S25 E386 T387 R411 K417 | S25-E413 VanDerWaalsContact CB-CG 3.48Å; E386-E413 HydrophobicContact CB-CB 3.89Å; E386-E413 HydrophobicContact CB-CG 3.66Å; T387-E413 WeakPolarHBondContact O-CB 3.43Å; R411-E413 WeakPolarHBondContact CB-OE1 3.42Å; R411-E413 WeakPolarHBondContact CB-OE2 3.37Å; R411-E413 IonicContact CZ-OE1 2.64Å; R411-E413 IonicContact NE-OE1 3.15Å; R411-E413 PolarHBondContact NE-OE1 3.42Å; R411-E413 IonicContact NE-OE2 2.9Å; R411-E413 IonicContact NH2-OE1 3.89Å; R411-E413 PolarHBondContact NH2-OE1 2.94Å; R411-E413 PolarHBondContact O-N 3.45Å; E413-K417 VanDerWaalsContact O-CD 3.23Å; E413-K417 WeakPolarHBondContact O-CD 3.32Å; E413-K417 WeakPolarHBondContact O-CE 3.34Å; E413-K417 PolarHBondContact O-NZ 3.08Å |
| 414 | R | 98.7 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -89.5 | -54.9 | 174.1 | -43.4 | -52.4 | 166.1 | -179 | 4.6 | 110 | D220 H382 R383 S384 E386 T406 A408 C410 R411 S412 A416 K417 Y418 | D220-R414 PolarHBondContact O-NH2 3.25Å; H382-R414 PolarHBondContact ND1-NH1 3.18Å; H382-R414 VanDerWaalsContact ND1-NH1 3.11Å; R383-R414 PolarHBondContact O-NH1 3.21Å; S384-R414 PolarHBondContact O-NH2 2.66Å; E386-R414 VanDerWaalsContact CB-NH1 3.33Å; T406-R414 WeakPolarHBondContact O-CA 3.38Å; T406-R414 WeakPolarHBondContact O-CB 3.45Å; T406-R414 WeakPolarHBondContact O-CD 3.49Å; A408-R414 WeakPolarHBondContact O-CB 3.29Å; C410-R414 WeakPolarHBondContact O-CB 3.19Å; C410-R414 VanDerWaalsContact O-CG 3.26Å; C410-R414 WeakPolarHBondContact O-CG 3.2Å; R411-R414 HydrophobicContact CB-CG 4.28Å; R411-R414 WeakPolarHBondContact O-CB 3.4Å; R411-R414 PolarHBondContact O-N 3.01Å; R411-R414 VanDerWaalsContact O-N 3.08Å; S412-R414 PolarHBondContact O-N 3.22Å; R414-A416 PolarHBondContact O-N 3.09Å; R414-K417 PolarHBondContact O-N 3.18Å; R414-Y418 HydrophobicContact CB-CE2 4.5Å; R414-Y418 WeakPolarHBondContact O-CD2 3.31Å; R414-Y418 PolarHBondContact O-N 3.36Å |
| 415 | L | 98.9 | Very high | 98.8 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 25% | 0.246 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -27.7 | -179.8 | -68.4 | 172.2 | 0 | 0 | 0 | 112.7 | P409 R411 S412 K417 Y418 N419 | P409-L415 HydrophobicContact CB-CD2 4.39Å; R411-L415 PolarHBondContact O-N 3.21Å; S412-L415 PolarHBondContact O-N 3.36Å; L415-K417 PolarHBondContact O-N 3.06Å; L415-Y418 PolarHBondContact O-N 3.38Å; L415-N419 WeakPolarHBondContact O-CB 3.48Å; L415-N419 PolarHBondContact O-N 3.35Å; L415-N419 PolarHBondContact O-ND2 2.5Å |
| 416 | A | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 36 Ų | 36 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.1 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T390 S412 R414 Q420 | T390-A416 HydrophobicContact CG2-CB 3.75Å; T390-A416 VanDerWaalsContact CG2-O 3.27Å; T390-A416 WeakPolarHBondContact CG2-O 3.25Å; S412-A416 WeakPolarHBondContact O-CA 3.49Å; S412-A416 WeakPolarHBondContact O-CB 3.4Å; S412-A416 PolarHBondContact O-N 2.82Å; R414-A416 PolarHBondContact O-N 3.09Å; A416-Q420 WeakPolarHBondContact O-CB 3.37Å; A416-Q420 PolarHBondContact O-N 2.73Å |
| 417 | K | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.8 | -46.2 | -179.9 | -75.5 | 66.2 | 159.5 | 175.2 | 0 | 111.4 | E386 T387 D389 I392 S393 T406 E413 R414 L415 N419 Q420 L421 | E386-K417 VanDerWaalsContact CD-CE 3.43Å; E386-K417 VanDerWaalsContact OE1-CE 3.23Å; E386-K417 WeakPolarHBondContact OE1-CE 3.22Å; E386-K417 IonicContact OE1-NZ 3.57Å; E386-K417 PolarHBondContact OE1-NZ 3.32Å; E386-K417 WeakPolarHBondContact OE2-CE 3.18Å; E386-K417 IonicContact OE2-NZ 3.76Å; E386-K417 PolarHBondContact OE2-NZ 3.33Å; T387-K417 PolarHBondContact O-NZ 2.88Å; D389-K417 WeakPolarHBondContact O-CD 3.15Å; D389-K417 WeakPolarHBondContact O-CE 3.17Å; D389-K417 PolarHBondContact O-NZ 3.25Å; I392-K417 HydrophobicContact CD1-CG 3.99Å; I392-K417 HydrophobicContact CG1-CG 3.62Å; S393-K417 WeakPolarHBondContact OG-CA 3.36Å; S393-K417 WeakPolarHBondContact OG-CB 3.17Å; S393-K417 PolarHBondContact OG-O 3.34Å; T406-K417 HydrophobicContact CG2-CB 3.73Å; T406-K417 HydrophobicContact CG2-CG 4.48Å; E413-K417 VanDerWaalsContact O-CD 3.23Å; E413-K417 WeakPolarHBondContact O-CD 3.32Å; E413-K417 WeakPolarHBondContact O-CE 3.34Å; E413-K417 PolarHBondContact O-NZ 3.08Å; R414-K417 PolarHBondContact O-N 3.18Å; L415-K417 PolarHBondContact O-N 3.06Å; K417-N419 PolarHBondContact O-N 3.1Å; K417-Q420 WeakPolarHBondContact O-CB 3.22Å; K417-Q420 PolarHBondContact O-N 2.88Å; K417-Q420 VanDerWaalsContact O-N 3.16Å; K417-L421 WeakPolarHBondContact O-CG 3.37Å; K417-L421 PolarHBondContact O-N 3.08Å |
| 418 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 177.9 | -68.2 | -48.8 | 0 | 0 | 0 | 112.4 | P159 A160 F161 F189 M193 T406 G407 R414 L415 Q420 L421 M422 | P159-Y418 HydrophobicContact CB-CD1 4.24Å; P159-Y418 HydrophobicContact CB-CE1 3.63Å; A160-Y418 PolarHBondContact O-OH 2.65Å; F161-Y418 HydrophobicContact CD1-CE1 4.07Å; F161-Y418 AromaticContact CD1-CE2 3.74Å; F161-Y418 HydrophobicContact CD1-CE2 3.74Å; F161-Y418 AromaticContact CD1-CZ 3.47Å; F161-Y418 VanDerWaalsContact CD1-CZ 3.47Å; F161-Y418 WeakPolarHBondContact CD1-OH 3.34Å; F161-Y418 HydrophobicContact CE1-CD1 4.02Å; F161-Y418 HydrophobicContact CE1-CD2 4.12Å; F161-Y418 AromaticContact CE1-CE1 3.62Å; F161-Y418 HydrophobicContact CE1-CE1 3.62Å; F161-Y418 AromaticContact CE1-CE2 3.73Å; F161-Y418 HydrophobicContact CE1-CE2 3.73Å; F161-Y418 HydrophobicContact CE1-CG 4.26Å; F161-Y418 AromaticContact CE1-CZ 3.46Å; F161-Y418 VanDerWaalsContact CE1-CZ 3.46Å; F161-Y418 HydrophobicContact CZ-CE1 4.45Å; F189-Y418 WeakPolarHBondContact CE1-O 3.46Å; F189-Y418 HydrophobicContact CZ-CD1 4.08Å; M193-Y418 HydrophobicContact CE-CD1 4.3Å; M193-Y418 HydrophobicContact CE-CD2 4.1Å; M193-Y418 HydrophobicContact CE-CG 3.73Å; M193-Y418 VanDerWaalsContact SD-CB 3.57Å; M193-Y418 HydrophobicContact SD-CD1 3.59Å; M193-Y418 VanDerWaalsContact SD-CD1 3.59Å; M193-Y418 HydrophobicContact SD-CD2 4.45Å; M193-Y418 HydrophobicContact SD-CE1 4.38Å; M193-Y418 HydrophobicContact SD-CG 3.62Å; T406-Y418 HydrophobicContact CG2-CD1 3.69Å; T406-Y418 HydrophobicContact CG2-CD2 4.21Å; T406-Y418 HydrophobicContact CG2-CE1 3.2Å; T406-Y418 HydrophobicContact CG2-CE2 3.77Å; T406-Y418 HydrophobicContact CG2-CG 4.17Å; T406-Y418 PolarHBondContact N-OH 3.22Å; G407-Y418 PolarHBondContact N-OH 3.03Å; G407-Y418 VanDerWaalsContact O-CE2 3.3Å; G407-Y418 WeakPolarHBondContact O-CE2 3.45Å; G407-Y418 PolarHBondContact O-OH 3.34Å; R414-Y418 HydrophobicContact CB-CE2 4.5Å; R414-Y418 WeakPolarHBondContact O-CD2 3.31Å; R414-Y418 PolarHBondContact O-N 3.36Å; L415-Y418 PolarHBondContact O-N 3.38Å; Y418-Q420 VanDerWaalsContact C-N 3.3Å; Y418-Q420 PolarHBondContact O-N 3.05Å; Y418-L421 HydrophobicContact CD1-CD1 4.49Å; Y418-L421 PolarHBondContact O-N 3.32Å; Y418-M422 PolarHBondContact O-N 3.44Å |
| 419 | N | 98.9 | Very high | 98.7 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 174.4 | -68.6 | -22.3 | 0 | 0 | 0 | 111.5 | L415 K417 M422 R423 | L415-N419 WeakPolarHBondContact O-CB 3.48Å; L415-N419 PolarHBondContact O-N 3.35Å; L415-N419 PolarHBondContact O-ND2 2.5Å; K417-N419 PolarHBondContact O-N 3.1Å; N419-M422 HydrophobicContact CB-CE 4.34Å; N419-M422 PolarHBondContact O-N 2.86Å; N419-M422 WeakPolarHBondContact OD1-CE 3.23Å; N419-R423 WeakPolarHBondContact O-CG 3.24Å; N419-R423 PolarHBondContact O-N 3.18Å |
| 420 | Q | 98.9 | Very high | 98.6 | Very high | 37 Ų | 37 | 52.5 Ų | 52.5 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 173.5 | -179.7 | 61.3 | 7 | 0 | 0 | 112 | T390 D394 A416 K417 Y418 M422 R423 I424 | T390-Q420 HydrophobicContact CG2-CB 4.05Å; D394-Q420 PolarHBondContact OD2-NE2 3.02Å; A416-Q420 WeakPolarHBondContact O-CB 3.37Å; A416-Q420 PolarHBondContact O-N 2.73Å; K417-Q420 WeakPolarHBondContact O-CB 3.22Å; K417-Q420 PolarHBondContact O-N 2.88Å; K417-Q420 VanDerWaalsContact O-N 3.16Å; Y418-Q420 VanDerWaalsContact C-N 3.3Å; Y418-Q420 PolarHBondContact O-N 3.05Å; Q420-M422 VanDerWaalsContact C-N 3.34Å; Q420-M422 PolarHBondContact O-N 2.8Å; Q420-R423 WeakPolarHBondContact O-CB 3.49Å; Q420-R423 PolarHBondContact O-N 2.92Å; Q420-R423 VanDerWaalsContact O-N 3.14Å; Q420-R423 VanDerWaalsContact OE1-NH1 3.11Å; Q420-I424 HydrophobicContact CG-CD1 4.06Å; Q420-I424 WeakPolarHBondContact O-CG1 3.2Å; Q420-I424 PolarHBondContact O-N 3.03Å |
| 421 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 175.1 | -71.8 | 166.5 | 0 | 0 | 0 | 112.5 | L156 P157 F189 S393 V396 V397 I404 K417 Y418 R423 I424 E425 | L156-L421 HydrophobicContact CD2-CD2 4.39Å; P157-L421 HydrophobicContact CG-CD1 4Å; P157-L421 HydrophobicContact CG-CD2 4.01Å; F189-L421 HydrophobicContact CD1-CB 3.81Å; F189-L421 HydrophobicContact CD2-CB 4.39Å; F189-L421 HydrophobicContact CE1-CB 3.26Å; F189-L421 HydrophobicContact CE1-CD1 4.26Å; F189-L421 HydrophobicContact CE1-CG 4.38Å; F189-L421 HydrophobicContact CE2-CB 3.91Å; F189-L421 HydrophobicContact CE2-CD1 3.63Å; F189-L421 HydrophobicContact CE2-CG 4.32Å; F189-L421 HydrophobicContact CG-CB 4.35Å; F189-L421 HydrophobicContact CZ-CB 3.32Å; F189-L421 HydrophobicContact CZ-CD1 3.41Å; F189-L421 VanDerWaalsContact CZ-CD1 3.41Å; F189-L421 HydrophobicContact CZ-CG 3.98Å; S393-L421 WeakPolarHBondContact O-CD2 3.29Å; V396-L421 HydrophobicContact CG1-CD2 3.88Å; V397-L421 HydrophobicContact CG2-CD2 3.61Å; I404-L421 HydrophobicContact CD1-CD1 4.25Å; I404-L421 HydrophobicContact CG2-CD1 3.96Å; K417-L421 WeakPolarHBondContact O-CG 3.37Å; K417-L421 PolarHBondContact O-N 3.08Å; Y418-L421 HydrophobicContact CD1-CD1 4.49Å; Y418-L421 PolarHBondContact O-N 3.32Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 3.2Å; L421-I424 HydrophobicContact CD2-CD1 4.49Å; L421-I424 PolarHBondContact O-N 3.04Å; L421-E425 WeakPolarHBondContact O-CB 3.45Å; L421-E425 PolarHBondContact O-N 3.05Å |
| 422 | M | 98.9 | Very high | 98.5 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 20% | 0.202 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 171.2 | -75.2 | -167.6 | -63.6 | 0 | 0 | 112.2 | F189 H190 M193 Y418 N419 Q420 E425 E426 | F189-M422 HydrophobicContact CD1-CG 3.8Å; F189-M422 HydrophobicContact CE1-CG 3.83Å; H190-M422 WeakPolarHBondContact CE1-CB 3.36Å; H190-M422 PolarHBondContact CE1-O 2.89Å; M193-M422 HydrophobicContact CB-SD 4.17Å; M193-M422 HydrophobicContact CG-CG 4.13Å; M193-M422 HydrophobicContact CG-SD 4.1Å; Y418-M422 PolarHBondContact O-N 3.44Å; N419-M422 HydrophobicContact CB-CE 4.34Å; N419-M422 PolarHBondContact O-N 2.86Å; N419-M422 WeakPolarHBondContact OD1-CE 3.23Å; Q420-M422 VanDerWaalsContact C-N 3.34Å; Q420-M422 PolarHBondContact O-N 2.8Å; M422-E425 PolarHBondContact O-N 2.77Å; M422-E426 PolarHBondContact O-N 3.18Å |
| 423 | R | 98.9 | Very high | 98.4 | Very high | 132 Ų | 132 | 56.1 Ų | 56.1 | 50% | 0.498 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 175 | -67 | 179 | -155.8 | 108.9 | 3.6 | 112.5 | N419 Q420 L421 E425 E426 E427 | N419-R423 WeakPolarHBondContact O-CG 3.24Å; N419-R423 PolarHBondContact O-N 3.18Å; Q420-R423 WeakPolarHBondContact O-CB 3.49Å; Q420-R423 PolarHBondContact O-N 2.92Å; Q420-R423 VanDerWaalsContact O-N 3.14Å; Q420-R423 VanDerWaalsContact OE1-NH1 3.11Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 3.2Å; R423-E425 VanDerWaalsContact C-N 3.3Å; R423-E425 PolarHBondContact O-N 3.18Å; R423-E426 PolarHBondContact O-N 2.88Å; R423-E427 WeakPolarHBondContact O-CB 3.36Å; R423-E427 PolarHBondContact O-N 2.87Å |
| 424 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -41 | 176.2 | -67.1 | 165.8 | 0 | 0 | 0 | 110.2 | Y142 L156 V397 Q420 L421 E427 L428 | Y142-I424 HydrophobicContact CD1-CB 4.44Å; Y142-I424 HydrophobicContact CD1-CD1 4.16Å; Y142-I424 HydrophobicContact CD1-CG1 3.85Å; Y142-I424 HydrophobicContact CD1-CG2 3.82Å; Y142-I424 HydrophobicContact CE1-CG1 4.21Å; Y142-I424 HydrophobicContact CE1-CG2 3.89Å; Y142-I424 HydrophobicContact CG-CG2 4.17Å; L156-I424 HydrophobicContact CD2-CG2 4.37Å; V397-I424 HydrophobicContact CG1-CG2 4.04Å; V397-I424 HydrophobicContact CG2-CD1 4.32Å; V397-I424 HydrophobicContact CG2-CG2 4.17Å; Q420-I424 HydrophobicContact CG-CD1 4.06Å; Q420-I424 WeakPolarHBondContact O-CG1 3.2Å; Q420-I424 PolarHBondContact O-N 3.03Å; L421-I424 HydrophobicContact CD2-CD1 4.49Å; L421-I424 PolarHBondContact O-N 3.04Å; I424-E427 PolarHBondContact O-N 2.84Å; I424-L428 HydrophobicContact CG2-CD1 3.86Å; I424-L428 HydrophobicContact CG2-CG 4.35Å; I424-L428 WeakPolarHBondContact O-CB 3.21Å; I424-L428 VanDerWaalsContact O-CG 3.26Å; I424-L428 WeakPolarHBondContact O-CG 3.28Å; I424-L428 PolarHBondContact O-N 2.91Å |
| 425 | E | 98.8 | Very high | 98.4 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 173.8 | -178.5 | 167.5 | -117.1 | 0 | 0 | 112.2 | L156 N188 F189 H190 L421 M422 R423 E427 L428 G429 A432 | L156-E425 HydrophobicContact CD1-CB 3.45Å; L156-E425 VanDerWaalsContact CD1-CB 3.45Å; L156-E425 HydrophobicContact CD1-CG 3.48Å; L156-E425 VanDerWaalsContact CD1-CG 3.48Å; L156-E425 WeakPolarHBondContact CD1-OE1 2.92Å; L156-E425 HydrophobicContact CD2-CB 4.26Å; L156-E425 HydrophobicContact CG-CB 4.49Å; N188-E425 WeakPolarHBondContact CB-OE1 3.48Å; F189-E425 VanDerWaalsContact CB-OE1 3.3Å; F189-E425 WeakPolarHBondContact CB-OE1 3.48Å; F189-E425 PolarHBondContact N-OE1 2.66Å; H190-E425 WeakPolarHBondContact CB-OE2 3.3Å; H190-E425 IonicContact CE1-OE2 2.63Å; H190-E425 IonicContact CG-OE2 3.17Å; H190-E425 PolarHBondContact N-OE2 3.07Å; H190-E425 IonicContact ND1-OE2 2.84Å; H190-E425 PolarHBondContact ND1-OE2 3.16Å; L421-E425 WeakPolarHBondContact O-CB 3.45Å; L421-E425 PolarHBondContact O-N 3.05Å; M422-E425 PolarHBondContact O-N 2.77Å; R423-E425 VanDerWaalsContact C-N 3.3Å; R423-E425 PolarHBondContact O-N 3.18Å; E425-E427 PolarHBondContact O-N 3.01Å; E425-L428 PolarHBondContact O-N 2.91Å; E425-G429 PolarHBondContact O-N 2.9Å; E425-G429 VanDerWaalsContact O-N 3.09Å; E425-A432 HydrophobicContact CG-CB 4.15Å |
| 426 | E | 98.8 | Very high | 98.4 | Very high | 155 Ų | 155 | 55 Ų | 55 | 72% | 0.724 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 176.4 | -173.3 | -176.2 | 113.7 | 0 | 0 | 111.7 | M422 R423 L428 G429 | M422-E426 PolarHBondContact O-N 3.18Å; R423-E426 PolarHBondContact O-N 2.88Å; E426-L428 VanDerWaalsContact C-N 3.34Å; E426-L428 PolarHBondContact O-N 2.94Å; E426-G429 PolarHBondContact O-N 3.16Å |
| 427 | E | 98.8 | Very high | 98.3 | Very high | 117 Ų | 117 | 62 Ų | 62 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 178.7 | -177.3 | 173 | -165 | 0 | 0 | 112.7 | P140 Y142 R423 I424 E425 G429 | P140-E427 WeakPolarHBondContact CG-OE1 3.18Å; Y142-E427 WeakPolarHBondContact CE1-OE2 3.19Å; R423-E427 WeakPolarHBondContact O-CB 3.36Å; R423-E427 PolarHBondContact O-N 2.87Å; I424-E427 PolarHBondContact O-N 2.84Å; E425-E427 PolarHBondContact O-N 3.01Å; E427-G429 VanDerWaalsContact C-N 3.35Å |
| 428 | L | 98.3 | Very high | 98.3 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.5 | -27.9 | 176.2 | -72.1 | 170.1 | 0 | 0 | 0 | 112.6 | Y142 V154 I424 E425 E426 D430 K431 A432 | Y142-L428 HydrophobicContact CE2-CD2 3.93Å; Y142-L428 HydrophobicContact CE2-CG 4.49Å; V154-L428 HydrophobicContact CG2-CD1 3.83Å; V154-L428 HydrophobicContact CG2-CD2 3.75Å; V154-L428 HydrophobicContact CG2-CG 4.48Å; I424-L428 HydrophobicContact CG2-CD1 3.86Å; I424-L428 HydrophobicContact CG2-CG 4.35Å; I424-L428 WeakPolarHBondContact O-CB 3.21Å; I424-L428 VanDerWaalsContact O-CG 3.26Å; I424-L428 WeakPolarHBondContact O-CG 3.28Å; I424-L428 PolarHBondContact O-N 2.91Å; E425-L428 PolarHBondContact O-N 2.91Å; E426-L428 VanDerWaalsContact C-N 3.34Å; E426-L428 PolarHBondContact O-N 2.94Å; L428-D430 PolarHBondContact O-N 3.01Å; L428-K431 WeakPolarHBondContact O-CB 3.46Å; L428-K431 PolarHBondContact O-N 2.76Å; L428-A432 HydrophobicContact CB-CB 3.87Å |
| 429 | G | 98.1 | Very high | 98.3 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | 53.4 | -130.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | E425 E426 E427 K431 A432 | E425-G429 PolarHBondContact O-N 2.9Å; E425-G429 VanDerWaalsContact O-N 3.09Å; E426-G429 PolarHBondContact O-N 3.16Å; E427-G429 VanDerWaalsContact C-N 3.35Å; G429-K431 PolarHBondContact O-N 3.12Å; G429-A432 WeakPolarHBondContact O-CB 3.5Å; G429-A432 PolarHBondContact O-N 2.81Å |
| 430 | D | 96.6 | Very high | 98.2 | Very high | 180 Ų | 180 | 65.6 Ų | 65.6 | 96% | 0.963 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -61.5 | -12.8 | 179.7 | -60.9 | -27 | 0 | 0 | 0 | 114.4 | L428 | L428-D430 PolarHBondContact O-N 3.01Š|
| 431 | K | 95.9 | Very high | 98.2 | Very high | 172 Ų | 172 | 68.6 Ų | 68.6 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -86.8 | -9.4 | 175.4 | -57.8 | 178.2 | -176.8 | 172.4 | 0 | 112.7 | L428 G429 K433 | L428-K431 WeakPolarHBondContact O-CB 3.46Å; L428-K431 PolarHBondContact O-N 2.76Å; G429-K431 PolarHBondContact O-N 3.12Å; K431-K433 PolarHBondContact O-N 3.05Å |
| 432 | A | 96.8 | Very high | 98 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | trans | -64.4 | 118.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L156 E425 L428 G429 | L156-A432 HydrophobicContact CD1-CB 4.03Å; E425-A432 HydrophobicContact CG-CB 4.15Å; L428-A432 HydrophobicContact CB-CB 3.87Å; G429-A432 WeakPolarHBondContact O-CB 3.5Å; G429-A432 PolarHBondContact O-N 2.81Å | ||
| 433 | K | 97.8 | Very high | 97.4 | Very high | 79 Ų | 79 | 74 Ų | 74 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | trans | -107.5 | 135.2 | 168.8 | -63.2 | -176.6 | -173.3 | 178.1 | 0 | 108.1 | I155 L156 K431 I444 N445 | I155-K433 HydrophobicContact CD1-CB 4.28Å; I155-K433 HydrophobicContact CG1-CB 4.32Å; L156-K433 WeakPolarHBondContact CB-O 3.45Å; L156-K433 PolarHBondContact N-O 2.87Å; K431-K433 PolarHBondContact O-N 3.05Å; K433-I444 PolarHBondContact NZ-O 2.93Å; K433-N445 PolarHBondContact NZ-OD1 3.47Å | ||
| 434 | F | 98.6 | Very high | 96.2 | Very high | 32 Ų | 32 | 69.7 Ų | 69.7 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -106.8 | 133.3 | 175.2 | 176.3 | -112.9 | 0 | 0 | 0 | 109.8 | L156 P157 V158 A186 F189 A192 G436 | L156-F434 HydrophobicContact CB-CD2 4.25Å; P157-F434 WeakPolarHBondContact O-CE2 3.42Å; V158-F434 HydrophobicContact CB-CZ 4.4Å; V158-F434 HydrophobicContact CG2-CE1 4.3Å; V158-F434 HydrophobicContact CG2-CE2 4.18Å; V158-F434 HydrophobicContact CG2-CZ 3.74Å; A186-F434 HydrophobicContact CB-CE1 3.94Å; A186-F434 HydrophobicContact CB-CZ 4.25Å; A186-F434 WeakPolarHBondContact O-CD1 3.45Å; A186-F434 VanDerWaalsContact O-CE1 3.29Å; A186-F434 WeakPolarHBondContact O-CE1 3.33Å; F189-F434 HydrophobicContact CB-CD2 4.21Å; F189-F434 HydrophobicContact CB-CE2 4.44Å; F189-F434 HydrophobicContact CD2-CE2 4.31Å; A192-F434 HydrophobicContact CB-CE2 4.09Å; A192-F434 HydrophobicContact CB-CZ 3.79Å; F434-G436 VanDerWaalsContact C-N 3.33Å; F434-G436 VanDerWaalsContact CE1-CA 3.49Å; F434-G436 PolarHBondContact O-N 3.21Å |
| 435 | A | 98.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 77.9 Ų | 77.9 | 5% | 0.05 | 39% | 0.388 | C | S | . | . | trans | -64.4 | -35.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I155 L156 V158 G402 K437 D438 P442 | I155-A435 HydrophobicContact CD1-CB 4.33Å; I155-A435 HydrophobicContact CG1-CB 4.19Å; L156-A435 WeakPolarHBondContact O-CB 3.37Å; L156-A435 PolarHBondContact O-N 2.62Å; V158-A435 HydrophobicContact CG2-CB 4.43Å; G402-A435 WeakPolarHBondContact O-CB 3.42Å; A435-K437 PolarHBondContact O-N 2.75Å; A435-D438 WeakPolarHBondContact O-CA 3.49Å; A435-D438 WeakPolarHBondContact O-CB 3.25Å; A435-D438 PolarHBondContact O-N 2.96Å; A435-P442 HydrophobicContact CB-CB 4.2Å; A435-P442 HydrophobicContact CB-CG 4.23Å | ||
| 436 | G | 98.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 80.8 Ų | 80.8 | 7% | 0.072 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | 49.7 | -127.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | V158 V184 F434 D438 F439 | V158-G436 VanDerWaalsContact CG2-O 3.27Å; V158-G436 WeakPolarHBondContact CG2-O 3.3Å; V184-G436 CarbonylContact O-C 3.37Å; V184-G436 VanDerWaalsContact O-C 3.26Å; V184-G436 VanDerWaalsContact O-CA 3.29Å; V184-G436 WeakPolarHBondContact O-CA 3.45Å; F434-G436 VanDerWaalsContact C-N 3.33Å; F434-G436 VanDerWaalsContact CE1-CA 3.49Å; F434-G436 PolarHBondContact O-N 3.21Å; G436-D438 PolarHBondContact O-N 3.45Å; G436-F439 WeakPolarHBondContact O-CB 3.4Å; G436-F439 PolarHBondContact O-N 2.7Å |
| 437 | K | 97.9 | Very high | 93.7 | Very high | 168 Ų | 168 | 76.8 Ų | 76.8 | 73% | 0.73 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -64.6 | -21.2 | 179.4 | -64.9 | -175.8 | 178.3 | -177.8 | 0 | 114 | V184 A435 F439 | V184-K437 PolarHBondContact O-N 3.44Å; A435-K437 PolarHBondContact O-N 2.75Å; K437-F439 VanDerWaalsContact C-N 3.27Å; K437-F439 PolarHBondContact O-N 3.38Å |
| 438 | D | 98.2 | Very high | 93.4 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 35% | 0.348 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -88.4 | 17 | 179.3 | -66.2 | -41 | 0 | 0 | 0 | 112.2 | A435 G436 R440 H441 P442 K443 | A435-D438 WeakPolarHBondContact O-CA 3.49Å; A435-D438 WeakPolarHBondContact O-CB 3.25Å; A435-D438 PolarHBondContact O-N 2.96Å; G436-D438 PolarHBondContact O-N 3.45Å; D438-R440 PolarHBondContact O-N 3.06Å; D438-H441 CarbonylContact O-C 3.47Å; D438-H441 PolarHBondContact O-N 3.47Å; D438-P442 VanDerWaalsContact O-CA 3.32Å; D438-P442 WeakPolarHBondContact O-CA 3.35Å; D438-K443 VanDerWaalsContact CG-NZ 3.29Å; D438-K443 IonicContact OD1-NZ 3.37Å; D438-K443 PolarHBondContact OD1-NZ 3.38Å; D438-K443 VanDerWaalsContact OD1-NZ 3.07Å; D438-K443 WeakPolarHBondContact OD2-CE 3.28Å; D438-K443 IonicContact OD2-NZ 2.84Å; D438-K443 PolarHBondContact OD2-NZ 3.19Å |
| 439 | F | 98.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 77.5 Ų | 77.5 | 4% | 0.044 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29.1 | -175.3 | 78.5 | -81.2 | 0 | 0 | 0 | 115.6 | V158 L182 V184 I252 Q403 G436 K437 | V158-F439 HydrophobicContact CB-CB 4.07Å; V158-F439 HydrophobicContact CG2-CB 3.7Å; L182-F439 HydrophobicContact CD2-CE2 4.39Å; V184-F439 HydrophobicContact CG1-CD1 3.87Å; V184-F439 HydrophobicContact CG1-CE1 4.21Å; I252-F439 HydrophobicContact CD1-CE1 3.73Å; I252-F439 HydrophobicContact CD1-CZ 3.89Å; Q403-F439 HydrophobicContact CB-CB 4.43Å; Q403-F439 HydrophobicContact CB-CD2 4.04Å; Q403-F439 VanDerWaalsContact CD-CD2 3.49Å; Q403-F439 HydrophobicContact CG-CD2 4.23Å; Q403-F439 PolarHBondContact NE2-O 3.2Å; G436-F439 WeakPolarHBondContact O-CB 3.4Å; G436-F439 PolarHBondContact O-N 2.7Å; K437-F439 VanDerWaalsContact C-N 3.27Å; K437-F439 PolarHBondContact O-N 3.38Å |
| 440 | R | 98.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 79.9 Ų | 79.9 | 22% | 0.223 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -40.6 | 176.3 | -63.2 | 174.6 | 66.2 | 176.9 | 1.9 | 111.9 | D323 I324 Q325 N349 G377 D438 | D323-R440 PolarHBondContact O-NH1 2.87Å; I324-R440 PolarHBondContact O-NH2 3.44Å; Q325-R440 HydrophobicContact CB-CG 4.48Å; N349-R440 PolarHBondContact ND2-NH2 3.35Å; G377-R440 WeakPolarHBondContact CA-O 3.07Å; D438-R440 PolarHBondContact O-N 3.06Å |
| 441 | H | 97.1 | Very high | 92.5 | Very high | 100 Ų | 100 | 73.2 Ų | 73.2 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -142.4 | 77.8 | -176.1 | -58.3 | -57.9 | 0 | 0 | 0 | 109.8 | G375 D438 K443 | G375-H441 PolarHBondContact O-CE1 3.26Å; D438-H441 CarbonylContact O-C 3.47Å; D438-H441 PolarHBondContact O-N 3.47Å; H441-K443 PolarHBondContact O-N 3.29Å |
| 442 | P | 94.8 | Very high | 92.3 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | trans | -64.1 | 136.3 | -171.5 | -20.6 | 32.9 | 0 | 0 | 0 | 111.4 | I155 G402 A435 D438 I444 | I155-P442 HydrophobicContact CD1-CB 3.5Å; I155-P442 VanDerWaalsContact CD1-CB 3.5Å; I155-P442 HydrophobicContact CG1-CB 4.22Å; I155-P442 HydrophobicContact CG2-CB 4.11Å; G402-P442 VanDerWaalsContact CA-CG 3.46Å; A435-P442 HydrophobicContact CB-CB 4.2Å; A435-P442 HydrophobicContact CB-CG 4.23Å; D438-P442 VanDerWaalsContact O-CA 3.32Å; D438-P442 WeakPolarHBondContact O-CA 3.35Å; P442-I444 PolarHBondContact O-N 3.29Å | ||
| 443 | K | 86.2 | Confident | 91.9 | Very high | 131 Ų | 131 | 68.8 Ų | 68.8 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | trans | -80.1 | 92.5 | 176 | -65.9 | 176.7 | -169.8 | 126.9 | 0 | 109.4 | D438 H441 N445 | D438-K443 VanDerWaalsContact CG-NZ 3.29Å; D438-K443 IonicContact OD1-NZ 3.37Å; D438-K443 PolarHBondContact OD1-NZ 3.38Å; D438-K443 VanDerWaalsContact OD1-NZ 3.07Å; D438-K443 WeakPolarHBondContact OD2-CE 3.28Å; D438-K443 IonicContact OD2-NZ 2.84Å; D438-K443 PolarHBondContact OD2-NZ 3.19Å; H441-K443 PolarHBondContact O-N 3.29Å; K443-N445 PolarHBondContact O-N 2.64Å | ||
| 444 | I | 74.4 | Confident | 91.4 | Very high | 41 Ų | 41 | 68 Ų | 68 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | trans | -72.5 | -23.6 | -177.7 | -61.6 | 162.8 | 0 | 0 | 0 | 110.4 | D153 I155 C400 K433 P442 | D153-I444 HydrophobicContact CB-CG2 3.75Å; I155-I444 HydrophobicContact CG2-CG1 4.39Å; C400-I444 HydrophobicContact CB-CD1 3.36Å; C400-I444 HydrophobicContact CB-CG1 4.06Å; K433-I444 PolarHBondContact NZ-O 2.93Å; P442-I444 PolarHBondContact O-N 3.29Å | ||
| 445 | N | 56.1 | Low | 90.8 | Very high | 174 Ų | 174 | 71.3 Ų | 71.3 | 93% | 0.93 | 34% | 0.344 | S | S | * | . | trans | -146.8 | 0 | 167.6 | -77.5 | -46 | 0 | 0 | 0 | 113.4 | D153 K433 K443 | D153-N445 PolarHBondContact OD2-ND2 2.94Å; D153-N445 PolarHBondContact OD2-OD1 3.03Å; K433-N445 PolarHBondContact NZ-OD1 3.47Å; K443-N445 PolarHBondContact O-N 2.64Å |
Retrieved 445 of 445 residues in 463.4 ms
(Link to these results)