| 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 | 36.4 | Very low | 71.4 | Confident | 202 Ų | 202 | 64.8 Ų | 64.8 | 100% | 0.995 | 40% | 0.402 | S | S | * | . | 0 | 119 | 0 | -83.8 | 178.4 | 177.6 | 0 | 0 | 107.9 | T3 K80 | M1-T3 PolarHBondContact O-N 3.03Å; M1-K80 HydrophobicContact CE-CD 3.91Å | |||
| 2 | G | 35.9 | Very low | 73.5 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 80% | 0.804 | 37% | 0.369 | S | S | * | . | trans | -60.2 | 132 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A4 | G2-A4 PolarHBondContact O-N 3.13Š| ||
| 3 | T | 40.9 | Very low | 75.1 | Confident | 111 Ų | 111 | 56 Ų | 56 | 68% | 0.681 | 35% | 0.345 | S | S | * | . | trans | -46.5 | 126.4 | 176.7 | 31 | 0 | 0 | 0 | 0 | 109.7 | M1 E5 | M1-T3 PolarHBondContact O-N 3.03Å; T3-E5 PolarHBondContact O-N 3.47Å | ||
| 4 | A | 58.1 | Low | 76.2 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | trans | -69.9 | 59.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G2 G6 V7 W319 | G2-A4 PolarHBondContact O-N 3.13Å; A4-G6 PolarHBondContact O-N 2.92Å; A4-V7 HydrophobicContact CB-CB 3.97Å; A4-V7 HydrophobicContact CB-CG2 3.9Å; A4-V7 PolarHBondContact O-N 3.37Å; A4-W319 HydrophobicContact CB-CH2 4.01Å; A4-W319 HydrophobicContact CB-CZ3 4.5Å | ||
| 5 | E | 61.7 | Low | 77.2 | Confident | 166 Ų | 166 | 54.5 Ų | 54.5 | 78% | 0.776 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 126.8 | 179.7 | -76.3 | -175 | 171.1 | 0 | 0 | 109 | T3 V7 | T3-E5 PolarHBondContact O-N 3.47Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 2.8Å |
| 6 | G | 82.6 | Confident | 78.3 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -3.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A4 Y22 R23 | A4-G6 PolarHBondContact O-N 2.92Å; G6-Y22 CarbonylContact O-C 3.14Å; G6-Y22 VanDerWaalsContact O-CA 3.24Å; G6-Y22 WeakPolarHBondContact O-CA 3.25Å; G6-Y22 WeakPolarHBondContact O-CB 3.08Å; G6-R23 PolarHBondContact O-N 2.75Å |
| 7 | V | 90.9 | Very high | 79.3 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.8 | 172.9 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | A4 E5 M10 V20 H21 Y22 R23 T73 W319 | A4-V7 HydrophobicContact CB-CB 3.97Å; A4-V7 HydrophobicContact CB-CG2 3.9Å; A4-V7 PolarHBondContact O-N 3.37Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 2.8Å; V7-M10 HydrophobicContact CG1-CE 4.41Å; V7-M10 HydrophobicContact CG1-CG 3.76Å; V7-M10 HydrophobicContact CG1-SD 4.28Å; V7-V20 HydrophobicContact CG1-CG1 3.91Å; V7-V20 HydrophobicContact CG2-CG1 4.34Å; V7-H21 WeakPolarHBondContact CG1-O 3.32Å; V7-Y22 HydrophobicContact CG2-CD1 3.91Å; V7-Y22 HydrophobicContact CG2-CE1 3.74Å; V7-R23 PolarHBondContact O-NE 3.38Å; V7-T73 HydrophobicContact CG2-CG2 4.01Å; V7-W319 HydrophobicContact CB-CZ3 4.27Å; V7-W319 HydrophobicContact CG1-CE3 4.43Å; V7-W319 HydrophobicContact CG1-CZ3 3.84Å |
| 8 | S | 91.8 | Very high | 80.2 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -46.4 | 172.5 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | H21 | S8-H21 PolarHBondContact N-O 3.04Å; S8-H21 VanDerWaalsContact OG-C 3.24Å; S8-H21 WeakPolarHBondContact OG-CB 3.49Å; S8-H21 PolarHBondContact OG-O 3.07Å |
| 9 | S | 94.6 | Very high | 81 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 159.2 | 176.3 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | H21 W319 | S9-H21 PolarHBondContact N-O 2.75Å; S9-H21 PolarHBondContact O-N 3.02Å; S9-H21 PolarHBondContact OG-ND1 3.22Å; S9-W319 CarbonylContact C-O 3.53Å; S9-W319 VanDerWaalsContact CA-O 3.26Å; S9-W319 WeakPolarHBondContact CA-O 3.12Å |
| 10 | M | 96.7 | Very high | 81.8 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.3 | 171.6 | -63.7 | 179.2 | -78.4 | 0 | 0 | 109.4 | V7 E19 V20 T73 F77 L318 W319 | V7-M10 HydrophobicContact CG1-CE 4.41Å; V7-M10 HydrophobicContact CG1-CG 3.76Å; V7-M10 HydrophobicContact CG1-SD 4.28Å; M10-E19 CarbonylContact C-O 3.5Å; M10-E19 VanDerWaalsContact CA-O 3.3Å; M10-E19 WeakPolarHBondContact CA-O 3.45Å; M10-V20 HydrophobicContact CG-CB 4.28Å; M10-V20 HydrophobicContact CG-CG1 3.84Å; M10-V20 HydrophobicContact CG-CG2 3.96Å; M10-V20 HydrophobicContact SD-CG1 4.48Å; M10-V20 HydrophobicContact SD-CG2 4.42Å; M10-T73 HydrophobicContact SD-CG2 4.15Å; M10-F77 HydrophobicContact CB-CD1 3.87Å; M10-F77 HydrophobicContact CB-CD2 4.06Å; M10-F77 HydrophobicContact CB-CE1 3.72Å; M10-F77 HydrophobicContact CB-CE2 3.94Å; M10-F77 HydrophobicContact CB-CG 4.03Å; M10-F77 HydrophobicContact CB-CZ 3.76Å; M10-F77 HydrophobicContact CE-CB 4.45Å; M10-F77 HydrophobicContact CE-CD2 3.82Å; M10-F77 HydrophobicContact CE-CE2 4.39Å; M10-F77 HydrophobicContact CE-CG 4.27Å; M10-F77 HydrophobicContact CG-CG 4.45Å; M10-F77 HydrophobicContact SD-CB 3.67Å; M10-F77 HydrophobicContact SD-CD1 4.33Å; M10-F77 HydrophobicContact SD-CD2 3.87Å; M10-F77 HydrophobicContact SD-CG 3.7Å; M10-L318 CarbonylContact O-C 3.59Å; M10-L318 WeakPolarHBondContact O-CA 3.25Å; M10-W319 HydrophobicContact CB-CB 4.38Å; M10-W319 HydrophobicContact CE-CB 4.36Å; M10-W319 HydrophobicContact CE-CD2 3.6Å; M10-W319 HydrophobicContact CE-CE3 3.32Å; M10-W319 HydrophobicContact CE-CG 4.06Å; M10-W319 HydrophobicContact CE-CH2 4.5Å; M10-W319 HydrophobicContact CE-CZ3 3.83Å; M10-W319 HydrophobicContact CG-CE3 4.35Å; M10-W319 PolarHBondContact N-O 3.5Å; M10-W319 PolarHBondContact O-N 3.16Å |
| 11 | V | 96.3 | Very high | 82.3 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.7 | 178 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | Y13 V18 E19 V315 I317 L318 | V11-Y13 HydrophobicContact CB-CE2 4.32Å; V11-Y13 HydrophobicContact CG1-CD1 4.29Å; V11-Y13 HydrophobicContact CG1-CD2 4.38Å; V11-Y13 HydrophobicContact CG1-CE1 3.85Å; V11-Y13 HydrophobicContact CG1-CE2 3.95Å; V11-V18 CarbonylContact O-C 3.55Å; V11-V18 VanDerWaalsContact O-CA 3.26Å; V11-V18 WeakPolarHBondContact O-CA 3.2Å; V11-E19 HydrophobicContact CB-CB 4.43Å; V11-E19 PolarHBondContact N-O 3.05Å; V11-E19 PolarHBondContact O-N 2.86Å; V11-V315 HydrophobicContact CG1-CG1 3.99Å; V11-V315 HydrophobicContact CG1-CG2 4.09Å; V11-I317 CarbonylContact C-O 3.56Å; V11-I317 WeakPolarHBondContact CA-O 3.29Å; V11-L318 HydrophobicContact CG2-CD1 3.68Å |
| 12 | M | 96.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.8 | 163.3 | -179.6 | -176.6 | -72.3 | 0 | 0 | 108.1 | S17 V18 F77 R78 A82 K316 I317 | M12-S17 WeakPolarHBondContact CA-O 3.42Å; M12-V18 HydrophobicContact CB-CG2 4.07Å; M12-V18 HydrophobicContact CE-CG2 3.83Å; M12-V18 HydrophobicContact CG-CG2 4.1Å; M12-F77 HydrophobicContact CB-CE1 3.91Å; M12-R78 VanDerWaalsContact CE-CA 3.46Å; M12-R78 HydrophobicContact CE-CB 4.32Å; M12-R78 HydrophobicContact CE-CG 4.13Å; M12-R78 VanDerWaalsContact CE-O 3.26Å; M12-R78 WeakPolarHBondContact CE-O 3.27Å; M12-A82 HydrophobicContact CE-CB 4.43Å; M12-K316 WeakPolarHBondContact O-CA 3.36Å; M12-K316 WeakPolarHBondContact O-CB 3.5Å; M12-K316 PolarHBondContact O-N 2.81Å; M12-K316 HydrophobicContact SD-CD 4.01Å; M12-I317 HydrophobicContact CB-CB 4.09Å; M12-I317 HydrophobicContact CB-CG1 4.43Å; M12-I317 PolarHBondContact N-O 2.89Å; M12-I317 PolarHBondContact O-N 2.86Å |
| 13 | Y | 94 | Very high | 87.4 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 168.9 | 176.6 | -59.3 | -83.5 | 0 | 0 | 0 | 111.2 | V11 D15 E16 S17 E19 K297 E313 L314 V315 | V11-Y13 HydrophobicContact CB-CE2 4.32Å; V11-Y13 HydrophobicContact CG1-CD1 4.29Å; V11-Y13 HydrophobicContact CG1-CD2 4.38Å; V11-Y13 HydrophobicContact CG1-CE1 3.85Å; V11-Y13 HydrophobicContact CG1-CE2 3.95Å; Y13-D15 PolarHBondContact O-N 3.29Å; Y13-E16 WeakPolarHBondContact O-CA 3.28Å; Y13-E16 PolarHBondContact O-N 3.3Å; Y13-S17 WeakPolarHBondContact CD2-OG 3.43Å; Y13-S17 PolarHBondContact N-O 2.86Å; Y13-E19 HydrophobicContact CE2-CB 4.1Å; Y13-E19 PolarHBondContact OH-OE2 3.27Å; Y13-K297 VanDerWaalsContact CE1-NZ 3.26Å; Y13-K297 VanDerWaalsContact CE2-NZ 3.32Å; Y13-K297 PolarHBondContact OH-NZ 2.94Å; Y13-E313 HydrophobicContact CD1-CB 3.82Å; Y13-E313 HydrophobicContact CE1-CB 4.23Å; Y13-E313 HydrophobicContact CG-CB 4.46Å; Y13-L314 CarbonylContact C-O 3.46Å; Y13-L314 VanDerWaalsContact CA-O 3.26Å; Y13-L314 WeakPolarHBondContact CA-O 3.43Å; Y13-L314 WeakPolarHBondContact CB-O 3.47Å; Y13-V315 HydrophobicContact CD1-CG2 4.17Å; Y13-V315 HydrophobicContact CE1-CG2 4Å |
| 14 | D | 91.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 32% | 0.321 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.3 | -179.1 | -86.2 | -1.9 | 0 | 0 | 0 | 113 | E16 L314 K316 | D14-E16 PolarHBondContact O-N 3.14Å; D14-L314 HydrophobicContact CB-CB 4.02Å; D14-L314 PolarHBondContact N-O 3.05Å; D14-L314 VanDerWaalsContact OD2-CB 3.23Å; D14-L314 WeakPolarHBondContact OD2-CB 3.33Å; D14-L314 WeakPolarHBondContact OD2-CD1 3.4Å; D14-K316 WeakPolarHBondContact OD1-CB 3.37Å |
| 15 | D | 90.9 | Very high | 90.8 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.5 | 173.6 | 75.5 | -17.1 | 0 | 0 | 0 | 113.8 | Y13 S17 P32 T416 | Y13-D15 PolarHBondContact O-N 3.29Å; D15-S17 PolarHBondContact O-N 2.7Å; D15-S17 WeakPolarHBondContact OD1-CB 3.22Å; D15-S17 PolarHBondContact OD1-N 3.47Å; D15-S17 PolarHBondContact OD1-OG 3.34Å; D15-P32 HydrophobicContact CB-CG 4.42Å; D15-P32 WeakPolarHBondContact O-CB 3.48Å; D15-P32 WeakPolarHBondContact OD2-CG 3.43Å; D15-T416 HydrophobicContact CB-CG2 3.5Å |
| 16 | E | 94.8 | Very high | 92.1 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | trans | 68 | 11.7 | -174.6 | -48.3 | -172.1 | 161.8 | 0 | 0 | 115.5 | Y13 D14 R78 S83 L418 | Y13-E16 WeakPolarHBondContact O-CA 3.28Å; Y13-E16 PolarHBondContact O-N 3.3Å; D14-E16 PolarHBondContact O-N 3.14Å; E16-R78 IonicContact OE2-NH2 3.72Å; E16-R78 PolarHBondContact OE2-NH2 3.49Å; E16-S83 VanDerWaalsContact OE1-CB 3.24Å; E16-S83 WeakPolarHBondContact OE1-CB 3.13Å; E16-S83 PolarHBondContact OE1-N 3.48Å; E16-S83 PolarHBondContact OE1-OG 3.22Å; E16-S83 PolarHBondContact OE2-OG 3.28Å; E16-L418 HydrophobicContact CB-CD1 4.15Å; E16-L418 HydrophobicContact CG-CD1 4.24Å; E16-L418 WeakPolarHBondContact OE2-CD1 3.31Å | ||
| 17 | S | 94.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | trans | -66.2 | 148.1 | 164.2 | 65.9 | 0 | 0 | 0 | 0 | 110 | M12 Y13 D15 L30 | M12-S17 WeakPolarHBondContact CA-O 3.42Å; Y13-S17 WeakPolarHBondContact CD2-OG 3.43Å; Y13-S17 PolarHBondContact N-O 2.86Å; D15-S17 PolarHBondContact O-N 2.7Å; D15-S17 WeakPolarHBondContact OD1-CB 3.22Å; D15-S17 PolarHBondContact OD1-N 3.47Å; D15-S17 PolarHBondContact OD1-OG 3.34Å; S17-L30 WeakPolarHBondContact CA-O 3.44Å | ||
| 18 | V | 96.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.1 | -177.3 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | V11 M12 V20 Q29 L30 F77 R78 | V11-V18 CarbonylContact O-C 3.55Å; V11-V18 VanDerWaalsContact O-CA 3.26Å; V11-V18 WeakPolarHBondContact O-CA 3.2Å; M12-V18 HydrophobicContact CB-CG2 4.07Å; M12-V18 HydrophobicContact CE-CG2 3.83Å; M12-V18 HydrophobicContact CG-CG2 4.1Å; V18-V20 HydrophobicContact CG1-CG2 3.89Å; V18-Q29 CarbonylContact O-C 3.59Å; V18-Q29 WeakPolarHBondContact O-CA 3.44Å; V18-L30 HydrophobicContact CB-CB 4.13Å; V18-L30 HydrophobicContact CB-CD2 4.45Å; V18-L30 PolarHBondContact N-O 3.34Å; V18-L30 PolarHBondContact O-N 2.87Å; V18-F77 HydrophobicContact CG1-CD1 3.8Å; V18-F77 HydrophobicContact CG1-CE1 4.31Å; V18-F77 HydrophobicContact CG2-CD1 4.16Å; V18-F77 HydrophobicContact CG2-CE1 4.46Å; V18-R78 HydrophobicContact CG2-CB 3.86Å; V18-R78 HydrophobicContact CG2-CG 4.03Å |
| 19 | E | 95.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.6 | 172.9 | -174.8 | 170.3 | -159.2 | 0 | 0 | 109.5 | M10 V11 Y13 H21 L28 Q29 | M10-E19 CarbonylContact C-O 3.5Å; M10-E19 VanDerWaalsContact CA-O 3.3Å; M10-E19 WeakPolarHBondContact CA-O 3.45Å; V11-E19 HydrophobicContact CB-CB 4.43Å; V11-E19 PolarHBondContact N-O 3.05Å; V11-E19 PolarHBondContact O-N 2.86Å; Y13-E19 HydrophobicContact CE2-CB 4.1Å; Y13-E19 PolarHBondContact OH-OE2 3.27Å; E19-H21 IonicContact OE1-CE1 3.02Å; E19-H21 PolarHBondContact OE1-CE1 3.5Å; E19-H21 IonicContact OE1-NE2 2.7Å; E19-L28 CarbonylContact C-O 3.53Å; E19-L28 VanDerWaalsContact CA-O 3.32Å; E19-L28 WeakPolarHBondContact CA-O 3.5Å; E19-Q29 HydrophobicContact CG-CG 4.29Å |
| 20 | V | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.2 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | V7 M10 V18 Y22 H27 L28 A74 | V7-V20 HydrophobicContact CG1-CG1 3.91Å; V7-V20 HydrophobicContact CG2-CG1 4.34Å; M10-V20 HydrophobicContact CG-CB 4.28Å; M10-V20 HydrophobicContact CG-CG1 3.84Å; M10-V20 HydrophobicContact CG-CG2 3.96Å; M10-V20 HydrophobicContact SD-CG1 4.48Å; M10-V20 HydrophobicContact SD-CG2 4.42Å; V18-V20 HydrophobicContact CG1-CG2 3.89Å; V20-Y22 HydrophobicContact CB-CE2 4.14Å; V20-Y22 HydrophobicContact CG1-CD1 4.39Å; V20-Y22 HydrophobicContact CG1-CD2 4.39Å; V20-Y22 HydrophobicContact CG1-CE1 3.76Å; V20-Y22 HydrophobicContact CG1-CE2 3.77Å; V20-Y22 VanDerWaalsContact CG1-CZ 3.4Å; V20-Y22 WeakPolarHBondContact CG1-OH 3.35Å; V20-H27 CarbonylContact O-C 3.49Å; V20-H27 VanDerWaalsContact O-CA 3.22Å; V20-H27 WeakPolarHBondContact O-CA 3.3Å; V20-L28 HydrophobicContact CB-CB 4.4Å; V20-L28 PolarHBondContact N-O 3.42Å; V20-L28 PolarHBondContact O-N 3.5Å; V20-A74 HydrophobicContact CG2-CB 3.82Å |
| 21 | H | 93.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 31.2 Ų | 31.2 | 28% | 0.278 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.1 | 173.2 | -65.8 | 90.5 | 0 | 0 | 0 | 109.7 | V7 S8 S9 E19 | V7-H21 WeakPolarHBondContact CG1-O 3.32Å; S8-H21 PolarHBondContact N-O 3.04Å; S8-H21 VanDerWaalsContact OG-C 3.24Å; S8-H21 WeakPolarHBondContact OG-CB 3.49Å; S8-H21 PolarHBondContact OG-O 3.07Å; S9-H21 PolarHBondContact N-O 2.75Å; S9-H21 PolarHBondContact O-N 3.02Å; S9-H21 PolarHBondContact OG-ND1 3.22Å; E19-H21 IonicContact OE1-CE1 3.02Å; E19-H21 PolarHBondContact OE1-CE1 3.5Å; E19-H21 IonicContact OE1-NE2 2.7Å |
| 22 | Y | 91.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 148 | 177.8 | -58.6 | -84 | 0 | 0 | 0 | 110.6 | G6 V7 V20 H24 G25 A26 L28 L70 | G6-Y22 CarbonylContact O-C 3.14Å; G6-Y22 VanDerWaalsContact O-CA 3.24Å; G6-Y22 WeakPolarHBondContact O-CA 3.25Å; G6-Y22 WeakPolarHBondContact O-CB 3.08Å; V7-Y22 HydrophobicContact CG2-CD1 3.91Å; V7-Y22 HydrophobicContact CG2-CE1 3.74Å; V20-Y22 HydrophobicContact CB-CE2 4.14Å; V20-Y22 HydrophobicContact CG1-CD1 4.39Å; V20-Y22 HydrophobicContact CG1-CD2 4.39Å; V20-Y22 HydrophobicContact CG1-CE1 3.76Å; V20-Y22 HydrophobicContact CG1-CE2 3.77Å; V20-Y22 VanDerWaalsContact CG1-CZ 3.4Å; V20-Y22 WeakPolarHBondContact CG1-OH 3.35Å; Y22-H24 WeakPolarHBondContact CB-NE2 3.42Å; Y22-H24 AromaticContact CG-NE2 3.79Å; Y22-H24 PolarHBondContact O-N 3.01Å; Y22-G25 PolarHBondContact O-N 3.48Å; Y22-A26 HydrophobicContact CD2-CB 4.24Å; Y22-A26 WeakPolarHBondContact CD2-O 3.24Å; Y22-A26 PolarHBondContact N-O 3.17Å; Y22-L28 HydrophobicContact CE2-CB 3.91Å; Y22-L70 HydrophobicContact CD1-CD2 3.79Å; Y22-L70 HydrophobicContact CE1-CB 4.41Å; Y22-L70 HydrophobicContact CE1-CD2 3.34Å; Y22-L70 HydrophobicContact CE1-CG 4.4Å; Y22-L70 HydrophobicContact CE2-CB 4.47Å; Y22-L70 HydrophobicContact CE2-CD2 4.15Å; Y22-L70 HydrophobicContact CG-CD2 4.37Å; Y22-L70 WeakPolarHBondContact OH-CA 3.38Å; Y22-L70 WeakPolarHBondContact OH-CB 3.44Å; Y22-L70 PolarHBondContact OH-O 2.92Å; Y22-L70 VanDerWaalsContact OH-O 3.09Å |
| 23 | R | 88.4 | Confident | 92.9 | Very high | 192 Ų | 192 | 31 Ų | 31 | 73% | 0.725 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.5 | -179.3 | -64.9 | -176.7 | -170.2 | 175.8 | -0.9 | 113.1 | G6 V7 G25 | G6-R23 PolarHBondContact O-N 2.75Å; V7-R23 PolarHBondContact O-NE 3.38Å; R23-G25 PolarHBondContact O-N 2.64Å |
| 24 | H | 84.3 | Confident | 93 | Very high | 108 Ų | 108 | 30.3 Ų | 30.3 | 50% | 0.5 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 10.5 | 175.7 | 61 | 76.4 | 0 | 0 | 0 | 112.9 | Y22 A26 A42 | Y22-H24 WeakPolarHBondContact CB-NE2 3.42Å; Y22-H24 AromaticContact CG-NE2 3.79Å; Y22-H24 PolarHBondContact O-N 3.01Å; H24-A26 WeakPolarHBondContact CE1-CB 3.41Å; H24-A26 PolarHBondContact O-N 3.12Å; H24-A42 WeakPolarHBondContact O-CB 3.3Å |
| 25 | G | 84.9 | Confident | 93.2 | Very high | 50 Ų | 50 | 27.7 Ų | 27.7 | 52% | 0.515 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 86.5 | -4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y22 R23 | Y22-G25 PolarHBondContact O-N 3.48Å; R23-G25 PolarHBondContact O-N 2.64Å |
| 26 | A | 88.7 | Confident | 93.5 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | trans | -76 | 154.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y22 H24 L39 V40 | Y22-A26 HydrophobicContact CD2-CB 4.24Å; Y22-A26 WeakPolarHBondContact CD2-O 3.24Å; Y22-A26 PolarHBondContact N-O 3.17Å; H24-A26 WeakPolarHBondContact CE1-CB 3.41Å; H24-A26 PolarHBondContact O-N 3.12Å; A26-L39 HydrophobicContact CB-CD1 4.47Å; A26-V40 VanDerWaalsContact CA-O 3.3Å; A26-V40 WeakPolarHBondContact CA-O 3.01Å; A26-V40 WeakPolarHBondContact CB-O 3.4Å | ||
| 27 | H | 91.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 26.8 Ų | 26.8 | 21% | 0.208 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145.2 | 169.8 | 68.4 | -91.9 | 0 | 0 | 0 | 111.4 | V20 V40 | V20-H27 CarbonylContact O-C 3.49Å; V20-H27 VanDerWaalsContact O-CA 3.22Å; V20-H27 WeakPolarHBondContact O-CA 3.3Å; H27-V40 WeakPolarHBondContact CE1-CB 3.29Å; H27-V40 VanDerWaalsContact CE1-CG1 3.43Å; H27-V40 WeakPolarHBondContact CE1-CG1 3.34Å; H27-V40 VanDerWaalsContact CE1-CG2 3.5Å; H27-V40 WeakPolarHBondContact CE1-CG2 3.22Å; H27-V40 PolarHBondContact N-O 2.96Å; H27-V40 WeakPolarHBondContact NE2-CB 3.34Å; H27-V40 WeakPolarHBondContact NE2-CG2 3.32Å; H27-V40 PolarHBondContact O-N 3.18Å |
| 28 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.6 | -176.8 | 180 | 157.8 | 0 | 0 | 0 | 109.2 | E19 V20 Y22 L30 F37 V38 L39 L70 M71 A74 | E19-L28 CarbonylContact C-O 3.53Å; E19-L28 VanDerWaalsContact CA-O 3.32Å; E19-L28 WeakPolarHBondContact CA-O 3.5Å; V20-L28 HydrophobicContact CB-CB 4.4Å; V20-L28 PolarHBondContact N-O 3.42Å; V20-L28 PolarHBondContact O-N 3.5Å; Y22-L28 HydrophobicContact CE2-CB 3.91Å; L28-L30 HydrophobicContact CD2-CB 4.14Å; L28-F37 HydrophobicContact CD1-CD2 4.45Å; L28-F37 HydrophobicContact CG-CD2 4.47Å; L28-V38 CarbonylContact C-O 3.55Å; L28-V38 WeakPolarHBondContact CA-O 3.27Å; L28-L39 HydrophobicContact CB-CD1 4.03Å; L28-L39 HydrophobicContact CD1-CD1 4.47Å; L28-L70 HydrophobicContact CD1-CB 4.24Å; L28-M71 HydrophobicContact CD1-CE 3.86Å; L28-M71 HydrophobicContact CD2-CE 4.38Å; L28-M71 HydrophobicContact CG-CE 4.48Å; L28-A74 HydrophobicContact CD2-CB 3.69Å |
| 29 | Q | 96.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.9 | 170.6 | -66.5 | 173.9 | 52.5 | 0 | 0 | 109.1 | V18 E19 F37 V38 W296 K297 | V18-Q29 CarbonylContact O-C 3.59Å; V18-Q29 WeakPolarHBondContact O-CA 3.44Å; E19-Q29 HydrophobicContact CG-CG 4.29Å; Q29-F37 CarbonylContact O-C 3.53Å; Q29-F37 WeakPolarHBondContact O-CA 3.34Å; Q29-F37 VanDerWaalsContact O-CB 3.26Å; Q29-F37 WeakPolarHBondContact O-CB 3.33Å; Q29-V38 PolarHBondContact N-O 3.21Å; Q29-V38 PolarHBondContact O-N 3.44Å; Q29-W296 HydrophobicContact CB-CE3 3.88Å; Q29-W296 HydrophobicContact CB-CZ3 4Å; Q29-W296 WeakPolarHBondContact O-CZ3 3.34Å; Q29-K297 PolarHBondContact NE2-O 2.85Å |
| 30 | L | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.8 | -179.7 | -177.2 | 69.9 | 0 | 0 | 0 | 108.6 | S17 V18 L28 F37 M71 A74 L75 R78 | S17-L30 WeakPolarHBondContact CA-O 3.44Å; V18-L30 HydrophobicContact CB-CB 4.13Å; V18-L30 HydrophobicContact CB-CD2 4.45Å; V18-L30 PolarHBondContact N-O 3.34Å; V18-L30 PolarHBondContact O-N 2.87Å; L28-L30 HydrophobicContact CD2-CB 4.14Å; L30-F37 HydrophobicContact CD1-CB 4.08Å; L30-M71 HydrophobicContact CD1-CE 4.39Å; L30-M71 HydrophobicContact CD1-SD 3.87Å; L30-A74 HydrophobicContact CD2-CB 4.45Å; L30-L75 HydrophobicContact CD2-CD2 3.98Å; L30-R78 HydrophobicContact CD2-CB 4.04Å; L30-R78 HydrophobicContact CD2-CG 4.36Å |
| 31 | S | 96.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | trans | -63.5 | 157.6 | -178.5 | 70.9 | 0 | 0 | 0 | 0 | 112 | C33 G34 S35 E36 | S31-C33 PolarHBondContact O-N 2.79Å; S31-C33 VanDerWaalsContact O-N 3.12Å; S31-C33 PolarHBondContact OG-SG 3.13Å; S31-C33 VanDerWaalsContact OG-SG 3.38Å; S31-G34 WeakPolarHBondContact O-CA 3.44Å; S31-G34 PolarHBondContact O-N 2.82Å; S31-S35 PolarHBondContact OG-N 3.2Å; S31-E36 WeakPolarHBondContact CB-O 3.36Å; S31-E36 PolarHBondContact N-O 3.38Å; S31-E36 PolarHBondContact OG-N 3.45Å; S31-E36 PolarHBondContact OG-O 3.48Å | ||
| 32 | P | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -44.2 | 175.5 | -38.3 | 41.8 | 0 | 0 | 0 | 115 | D15 G34 R78 L418 | D15-P32 HydrophobicContact CB-CG 4.42Å; D15-P32 WeakPolarHBondContact O-CB 3.48Å; D15-P32 WeakPolarHBondContact OD2-CG 3.43Å; P32-G34 VanDerWaalsContact C-N 3.33Å; P32-R78 PolarHBondContact O-NE 3.27Å; P32-R78 PolarHBondContact O-NH2 2.95Å; P32-L418 HydrophobicContact CB-CD1 4.09Å; P32-L418 HydrophobicContact CB-CG 4.19Å |
| 33 | C | 95.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.3 | 179.7 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | S31 S35 Y86 L284 H294 C417 L418 | S31-C33 PolarHBondContact O-N 2.79Å; S31-C33 VanDerWaalsContact O-N 3.12Å; S31-C33 PolarHBondContact OG-SG 3.13Å; S31-C33 VanDerWaalsContact OG-SG 3.38Å; C33-S35 PolarHBondContact O-N 3.11Å; C33-S35 PolarHBondContact SG-OG 3.33Å; C33-Y86 WeakPolarHBondContact O-CB 3.48Å; C33-Y86 WeakPolarHBondContact O-CD2 3.45Å; C33-L284 HydrophobicContact CB-CD1 4.34Å; C33-L284 WeakPolarHBondContact O-CD1 2.97Å; C33-H294 PolarHBondContact SG-NE2 2.84Å; C33-C417 VanDerWaalsContact SG-SG 3.65Å; C33-L418 HydrophobicContact CB-CD2 3.85Å |
| 34 | G | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 75.1 | -1.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S31 P32 T60 Y86 | S31-G34 WeakPolarHBondContact O-CA 3.44Å; S31-G34 PolarHBondContact O-N 2.82Å; P32-G34 VanDerWaalsContact C-N 3.33Å; G34-T60 WeakPolarHBondContact O-CB 3.28Å; G34-T60 WeakPolarHBondContact O-CG2 3.36Å; G34-T60 PolarHBondContact O-OG1 3.18Å; G34-Y86 VanDerWaalsContact O-CD1 3.3Å; G34-Y86 WeakPolarHBondContact O-CD1 3.26Å; G34-Y86 WeakPolarHBondContact O-CE1 3.31Å |
| 35 | S | 95.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -80.6 | -19.3 | -171.6 | 79.7 | 0 | 0 | 0 | 0 | 114.9 | S31 C33 R59 T60 C288 | S31-S35 PolarHBondContact OG-N 3.2Å; C33-S35 PolarHBondContact O-N 3.11Å; C33-S35 PolarHBondContact SG-OG 3.33Å; S35-R59 CarbonylContact O-C 3.55Å; S35-R59 WeakPolarHBondContact O-CA 3.24Å; S35-T60 VanDerWaalsContact C-OG1 3.22Å; S35-T60 PolarHBondContact O-N 3.4Å; S35-T60 PolarHBondContact O-OG1 3.47Å; S35-C288 VanDerWaalsContact OG-CB 3.29Å; S35-C288 WeakPolarHBondContact OG-CB 3.22Å |
| 36 | E | 96.3 | Very high | 90.1 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.5 | 179.1 | -64.4 | -164.8 | 137.3 | 0 | 0 | 110.5 | S31 R57 Q58 R59 T60 H294 W296 | S31-E36 WeakPolarHBondContact CB-O 3.36Å; S31-E36 PolarHBondContact N-O 3.38Å; S31-E36 PolarHBondContact OG-N 3.45Å; S31-E36 PolarHBondContact OG-O 3.48Å; E36-R57 IonicContact OE2-CZ 3.63Å; E36-R57 IonicContact OE2-NE 2.69Å; E36-R57 IonicContact OE2-NH2 3.49Å; E36-R57 PolarHBondContact OE2-NH2 3.42Å; E36-Q58 WeakPolarHBondContact CA-O 3.39Å; E36-R59 HydrophobicContact CG-CG 4.33Å; E36-T60 PolarHBondContact N-OG1 3.21Å; E36-H294 IonicContact OE2-CE1 2.71Å; E36-H294 PolarHBondContact OE2-CE1 3.05Å; E36-H294 IonicContact OE2-CG 2.64Å; E36-H294 IonicContact OE2-ND1 2.75Å; E36-H294 PolarHBondContact OE2-ND1 2.78Å; E36-W296 HydrophobicContact CB-CH2 4.11Å; E36-W296 HydrophobicContact CB-CZ2 4.03Å |
| 37 | F | 96.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.9 | 174.9 | 74.6 | -82.9 | 0 | 0 | 0 | 112 | L28 Q29 L30 L39 R57 Q58 T63 M71 | L28-F37 HydrophobicContact CD1-CD2 4.45Å; L28-F37 HydrophobicContact CG-CD2 4.47Å; Q29-F37 CarbonylContact O-C 3.53Å; Q29-F37 WeakPolarHBondContact O-CA 3.34Å; Q29-F37 VanDerWaalsContact O-CB 3.26Å; Q29-F37 WeakPolarHBondContact O-CB 3.33Å; L30-F37 HydrophobicContact CD1-CB 4.08Å; F37-L39 HydrophobicContact CD2-CB 4.18Å; F37-L39 HydrophobicContact CE2-CB 3.98Å; F37-R57 WeakPolarHBondContact O-CA 3.47Å; F37-Q58 HydrophobicContact CD1-CB 4.27Å; F37-Q58 VanDerWaalsContact CD1-O 3.26Å; F37-Q58 WeakPolarHBondContact CD1-O 3.37Å; F37-Q58 HydrophobicContact CE1-CB 3.52Å; F37-Q58 HydrophobicContact CZ-CB 3.76Å; F37-Q58 PolarHBondContact N-O 2.85Å; F37-Q58 PolarHBondContact O-N 3.32Å; F37-Q58 VanDerWaalsContact O-N 3.1Å; F37-T63 HydrophobicContact CE1-CG2 4.46Å; F37-T63 VanDerWaalsContact CE1-OG1 3.31Å; F37-T63 WeakPolarHBondContact CE1-OG1 3.46Å; F37-T63 HydrophobicContact CZ-CG2 4.23Å; F37-M71 HydrophobicContact CB-CE 3.44Å; F37-M71 VanDerWaalsContact CB-CE 3.44Å; F37-M71 HydrophobicContact CD1-CE 3.24Å; F37-M71 HydrophobicContact CD2-CE 3.47Å; F37-M71 VanDerWaalsContact CD2-CE 3.47Å; F37-M71 HydrophobicContact CE1-CE 3.7Å; F37-M71 HydrophobicContact CE2-CE 3.94Å; F37-M71 HydrophobicContact CG-CE 3.09Å; F37-M71 HydrophobicContact CZ-CE 4.03Å |
| 38 | V | 95.6 | Very high | 88.3 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.9 | 167.1 | 174.5 | 0 | 0 | 0 | 0 | 107.9 | L28 Q29 V40 V56 R57 W296 | L28-V38 CarbonylContact C-O 3.55Å; L28-V38 WeakPolarHBondContact CA-O 3.27Å; Q29-V38 PolarHBondContact N-O 3.21Å; Q29-V38 PolarHBondContact O-N 3.44Å; V38-V40 HydrophobicContact CG1-CG2 4.21Å; V38-V56 CarbonylContact C-O 3.52Å; V38-V56 WeakPolarHBondContact CA-O 3.21Å; V38-R57 HydrophobicContact CG2-CB 4.02Å; V38-R57 HydrophobicContact CG2-CG 3.83Å; V38-W296 HydrophobicContact CB-CD2 4.26Å; V38-W296 HydrophobicContact CB-CE3 3.8Å; V38-W296 HydrophobicContact CB-CZ3 4.14Å; V38-W296 HydrophobicContact CG2-CB 4.46Å; V38-W296 HydrophobicContact CG2-CD2 3.4Å; V38-W296 VanDerWaalsContact CG2-CD2 3.4Å; V38-W296 HydrophobicContact CG2-CE3 3.42Å; V38-W296 VanDerWaalsContact CG2-CE3 3.42Å; V38-W296 HydrophobicContact CG2-CG 3.88Å; V38-W296 HydrophobicContact CG2-CH2 4.22Å; V38-W296 HydrophobicContact CG2-CZ2 4.22Å; V38-W296 HydrophobicContact CG2-CZ3 3.85Å |
| 39 | L | 93.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.7 | 170.6 | 175.5 | 70.4 | 0 | 0 | 0 | 108.5 | A26 L28 F37 R55 V56 Y67 L70 | A26-L39 HydrophobicContact CB-CD1 4.47Å; L28-L39 HydrophobicContact CB-CD1 4.03Å; L28-L39 HydrophobicContact CD1-CD1 4.47Å; F37-L39 HydrophobicContact CD2-CB 4.18Å; F37-L39 HydrophobicContact CE2-CB 3.98Å; L39-R55 CarbonylContact O-C 3.56Å; L39-R55 WeakPolarHBondContact O-CA 3.47Å; L39-V56 HydrophobicContact CB-CB 4.45Å; L39-V56 PolarHBondContact N-O 2.84Å; L39-V56 PolarHBondContact O-N 2.81Å; L39-Y67 HydrophobicContact CD2-CD1 3.36Å; L39-Y67 HydrophobicContact CD2-CD2 4.12Å; L39-Y67 HydrophobicContact CD2-CE1 3.49Å; L39-Y67 VanDerWaalsContact CD2-CE1 3.49Å; L39-Y67 HydrophobicContact CD2-CE2 4.23Å; L39-Y67 HydrophobicContact CD2-CG 3.71Å; L39-L70 HydrophobicContact CD1-CD1 4.26Å; L39-L70 HydrophobicContact CD2-CD1 4.38Å |
| 40 | V | 91.4 | Very high | 85.9 | Confident | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 120.2 | 170 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | A26 H27 V38 T53 R55 | A26-V40 VanDerWaalsContact CA-O 3.3Å; A26-V40 WeakPolarHBondContact CA-O 3.01Å; A26-V40 WeakPolarHBondContact CB-O 3.4Å; H27-V40 WeakPolarHBondContact CE1-CB 3.29Å; H27-V40 VanDerWaalsContact CE1-CG1 3.43Å; H27-V40 WeakPolarHBondContact CE1-CG1 3.34Å; H27-V40 VanDerWaalsContact CE1-CG2 3.5Å; H27-V40 WeakPolarHBondContact CE1-CG2 3.22Å; H27-V40 PolarHBondContact N-O 2.96Å; H27-V40 WeakPolarHBondContact NE2-CB 3.34Å; H27-V40 WeakPolarHBondContact NE2-CG2 3.32Å; H27-V40 PolarHBondContact O-N 3.18Å; V38-V40 HydrophobicContact CG1-CG2 4.21Å; V40-T53 HydrophobicContact CG1-CG2 3.33Å; V40-R55 HydrophobicContact CB-CG 4.49Å; V40-R55 HydrophobicContact CG1-CG 4.26Å; V40-R55 HydrophobicContact CG2-CG 3.97Å |
| 41 | K | 88.8 | Confident | 84.6 | Confident | 58 Ų | 58 | 56.4 Ų | 56.4 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 160.5 | -179.1 | -60.4 | -166.7 | -166.5 | 169.9 | 0 | 110.8 | T43 T53 E54 Y67 | K41-T43 PolarHBondContact O-N 3.49Å; K41-T53 VanDerWaalsContact O-CG2 3.27Å; K41-T53 WeakPolarHBondContact O-CG2 3.4Å; K41-E54 HydrophobicContact CB-CB 4.33Å; K41-E54 HydrophobicContact CD-CB 4.21Å; K41-E54 HydrophobicContact CD-CG 4.29Å; K41-E54 VanDerWaalsContact CD-OE2 3.28Å; K41-E54 WeakPolarHBondContact CD-OE2 3.48Å; K41-E54 VanDerWaalsContact CE-OE1 3.25Å; K41-E54 WeakPolarHBondContact CE-OE1 3.42Å; K41-E54 WeakPolarHBondContact CE-OE2 3.26Å; K41-E54 HydrophobicContact CG-CB 4.37Å; K41-E54 PolarHBondContact N-O 2.66Å; K41-E54 IonicContact NZ-OE1 2.85Å; K41-E54 PolarHBondContact NZ-OE1 3.03Å; K41-E54 IonicContact NZ-OE2 3.29Å; K41-E54 PolarHBondContact NZ-OE2 2.79Å; K41-Y67 WeakPolarHBondContact CE-OH 3.25Å; K41-Y67 PolarHBondContact NZ-OH 2.93Å |
| 42 | A | 84.3 | Confident | 83.3 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 138.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H24 D44 | H24-A42 WeakPolarHBondContact O-CB 3.3Å; A42-D44 PolarHBondContact O-N 3.44Å |
| 43 | T | 79.4 | Confident | 82.5 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 133.1 | 171.4 | -48.2 | 0 | 0 | 0 | 0 | 108.9 | K41 P45 | K41-T43 PolarHBondContact O-N 3.49Å; T43-P45 VanDerWaalsContact O-CD 3.29Å; T43-P45 WeakPolarHBondContact O-CD 3.34Å |
| 44 | D | 74 | Confident | 82.1 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 118.5 | 173.1 | -177.4 | -2.3 | 0 | 0 | 0 | 108.9 | A42 H46 G47 | A42-D44 PolarHBondContact O-N 3.44Å; D44-H46 PolarHBondContact O-N 2.98Å; D44-H46 VanDerWaalsContact O-N 3.14Å; D44-H46 PolarHBondContact OD1-N 2.84Å; D44-G47 PolarHBondContact O-N 2.85Å |
| 45 | P | 72.4 | Confident | 81.8 | Confident | 120 Ų | 120 | 72.9 Ų | 72.9 | 78% | 0.779 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.2 | 177.6 | -21.1 | 32.8 | 0 | 0 | 0 | 113.2 | T43 | T43-P45 VanDerWaalsContact O-CD 3.29Å; T43-P45 WeakPolarHBondContact O-CD 3.34Å |
| 46 | H | 74.1 | Confident | 81.5 | Confident | 176 Ų | 176 | 73.5 Ų | 73.5 | 82% | 0.815 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0.3 | 176.4 | -60.2 | -59.7 | 0 | 0 | 0 | 112.9 | D44 | D44-H46 PolarHBondContact O-N 2.98Å; D44-H46 VanDerWaalsContact O-N 3.14Å; D44-H46 PolarHBondContact OD1-N 2.84Å |
| 47 | G | 68.4 | Low | 81.4 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 23% | 0.227 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -73.3 | 154.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D44 | D44-G47 PolarHBondContact O-N 2.85Š|
| 48 | H | 73.6 | Confident | 81.2 | Confident | 125 Ų | 125 | 81.6 Ų | 81.6 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | trans | -65.5 | 138.8 | 176.7 | -173.7 | -87.3 | 0 | 0 | 0 | 110.1 | L50 Q51 | H48-L50 WeakPolarHBondContact ND1-CB 3.49Å; H48-L50 PolarHBondContact ND1-N 3Å; H48-L50 VanDerWaalsContact ND1-N 3.13Å; H48-L50 PolarHBondContact O-N 2.89Å; H48-Q51 HydrophobicContact CB-CB 4.39Å; H48-Q51 WeakPolarHBondContact O-CB 3.5Å; H48-Q51 PolarHBondContact O-N 3.43Å | ||
| 49 | P | 68.4 | Low | 81.2 | Confident | 123 Ų | 123 | 87.6 Ų | 87.6 | 80% | 0.799 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.2 | -177.8 | -28.4 | 35.3 | 0 | 0 | 0 | 115.7 | ||
| 50 | L | 71.8 | Confident | 81.3 | Confident | 148 Ų | 148 | 87.5 Ų | 87.5 | 78% | 0.775 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 1.8 | 174.7 | -57.2 | 178.3 | 0 | 0 | 0 | 113.9 | H48 P52 | H48-L50 WeakPolarHBondContact ND1-CB 3.49Å; H48-L50 PolarHBondContact ND1-N 3Å; H48-L50 VanDerWaalsContact ND1-N 3.13Å; H48-L50 PolarHBondContact O-N 2.89Å; L50-P52 WeakPolarHBondContact O-CD 3.46Å |
| 51 | Q | 69.1 | Low | 81.5 | Confident | 115 Ų | 115 | 90.4 Ų | 90.4 | 54% | 0.537 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -70 | 121.8 | 178.6 | -171.2 | 170.3 | -5.2 | 0 | 0 | 108.6 | H48 T53 | H48-Q51 HydrophobicContact CB-CB 4.39Å; H48-Q51 WeakPolarHBondContact O-CB 3.5Å; H48-Q51 PolarHBondContact O-N 3.43Å; Q51-T53 PolarHBondContact O-N 3.39Å |
| 52 | P | 69.4 | Low | 81.8 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 74% | 0.74 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 135.1 | -179 | 24.5 | -32.5 | 0 | 0 | 0 | 109.5 | L50 E54 | L50-P52 WeakPolarHBondContact O-CD 3.46Å; P52-E54 PolarHBondContact O-N 2.95Å |
| 53 | T | 78.6 | Confident | 82.3 | Confident | 36 Ų | 36 | 91.9 Ų | 91.9 | 22% | 0.221 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 131.8 | 176.1 | -40 | 0 | 0 | 0 | 0 | 109.4 | V40 K41 Q51 R55 | V40-T53 HydrophobicContact CG1-CG2 3.33Å; K41-T53 VanDerWaalsContact O-CG2 3.27Å; K41-T53 WeakPolarHBondContact O-CG2 3.4Å; Q51-T53 PolarHBondContact O-N 3.39Å; T53-R55 WeakPolarHBondContact O-CG 3.37Å; T53-R55 PolarHBondContact O-N 3.3Å |
| 54 | E | 86.3 | Confident | 82.9 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 126.6 | 180 | -164.6 | -171.7 | 159.1 | 0 | 0 | 110.1 | K41 P52 | K41-E54 HydrophobicContact CB-CB 4.33Å; K41-E54 HydrophobicContact CD-CB 4.21Å; K41-E54 HydrophobicContact CD-CG 4.29Å; K41-E54 VanDerWaalsContact CD-OE2 3.28Å; K41-E54 WeakPolarHBondContact CD-OE2 3.48Å; K41-E54 VanDerWaalsContact CE-OE1 3.25Å; K41-E54 WeakPolarHBondContact CE-OE1 3.42Å; K41-E54 WeakPolarHBondContact CE-OE2 3.26Å; K41-E54 HydrophobicContact CG-CB 4.37Å; K41-E54 PolarHBondContact N-O 2.66Å; K41-E54 IonicContact NZ-OE1 2.85Å; K41-E54 PolarHBondContact NZ-OE1 3.03Å; K41-E54 IonicContact NZ-OE2 3.29Å; K41-E54 PolarHBondContact NZ-OE2 2.79Å; P52-E54 PolarHBondContact O-N 2.95Å |
| 55 | R | 89.4 | Confident | 83.7 | Confident | 98 Ų | 98 | 92.2 Ų | 92.2 | 37% | 0.37 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.3 | -178.3 | -55 | -174.9 | -176.9 | 151.3 | -0 | 110.6 | L39 V40 T53 D300 | L39-R55 CarbonylContact O-C 3.56Å; L39-R55 WeakPolarHBondContact O-CA 3.47Å; V40-R55 HydrophobicContact CB-CG 4.49Å; V40-R55 HydrophobicContact CG1-CG 4.26Å; V40-R55 HydrophobicContact CG2-CG 3.97Å; T53-R55 WeakPolarHBondContact O-CG 3.37Å; T53-R55 PolarHBondContact O-N 3.3Å; R55-D300 IonicContact NH2-OD1 2.68Å; R55-D300 PolarHBondContact NH2-OD1 3.48Å |
| 56 | V | 91 | Very high | 84.6 | Confident | 19 Ų | 19 | 89.7 Ų | 89.7 | 12% | 0.115 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.7 | 176 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | V38 L39 Q58 Y67 | V38-V56 CarbonylContact C-O 3.52Å; V38-V56 WeakPolarHBondContact CA-O 3.21Å; L39-V56 HydrophobicContact CB-CB 4.45Å; L39-V56 PolarHBondContact N-O 2.84Å; L39-V56 PolarHBondContact O-N 2.81Å; V56-Q58 HydrophobicContact CG1-CG 3.72Å; V56-Y67 HydrophobicContact CB-CE2 4.4Å; V56-Y67 HydrophobicContact CG1-CE2 4.05Å; V56-Y67 HydrophobicContact CG2-CE2 4.13Å |
| 57 | R | 93.3 | Very high | 85.4 | Confident | 137 Ų | 137 | 82.9 Ų | 82.9 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.6 | 169.7 | -176.2 | 176 | 175.1 | -175.9 | -0.6 | 109.5 | E36 F37 V38 | E36-R57 IonicContact OE2-CZ 3.63Å; E36-R57 IonicContact OE2-NE 2.69Å; E36-R57 IonicContact OE2-NH2 3.49Å; E36-R57 PolarHBondContact OE2-NH2 3.42Å; F37-R57 WeakPolarHBondContact O-CA 3.47Å; V38-R57 HydrophobicContact CG2-CB 4.02Å; V38-R57 HydrophobicContact CG2-CG 3.83Å |
| 58 | Q | 93.4 | Very high | 86.5 | Confident | 57 Ų | 57 | 86.3 Ų | 86.3 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 160.4 | -177.2 | -71.7 | 178.8 | -4.8 | 0 | 0 | 111.4 | E36 F37 V56 | E36-Q58 WeakPolarHBondContact CA-O 3.39Å; F37-Q58 HydrophobicContact CD1-CB 4.27Å; F37-Q58 VanDerWaalsContact CD1-O 3.26Å; F37-Q58 WeakPolarHBondContact CD1-O 3.37Å; F37-Q58 HydrophobicContact CE1-CB 3.52Å; F37-Q58 HydrophobicContact CZ-CB 3.76Å; F37-Q58 PolarHBondContact N-O 2.85Å; F37-Q58 PolarHBondContact O-N 3.32Å; F37-Q58 VanDerWaalsContact O-N 3.1Å; V56-Q58 HydrophobicContact CG1-CG 3.72Å |
| 59 | R | 95.1 | Very high | 87.4 | Confident | 141 Ų | 141 | 83.9 Ų | 83.9 | 53% | 0.532 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.4 | 165.8 | -67.5 | 179.8 | 179.5 | 173.8 | 0.8 | 108.9 | S35 E36 R61 F62 | S35-R59 CarbonylContact O-C 3.55Å; S35-R59 WeakPolarHBondContact O-CA 3.24Å; E36-R59 HydrophobicContact CG-CG 4.33Å; R59-R61 VanDerWaalsContact C-N 3.34Å; R59-R61 PolarHBondContact O-N 3.28Å; R59-F62 HydrophobicContact CB-CD2 3.89Å; R59-F62 PolarHBondContact O-N 3.42Å |
| 60 | T | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -55.2 | -46.1 | -173.1 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | G34 S35 E36 F62 T63 M71 L75 Y86 F91 | G34-T60 WeakPolarHBondContact O-CB 3.28Å; G34-T60 WeakPolarHBondContact O-CG2 3.36Å; G34-T60 PolarHBondContact O-OG1 3.18Å; S35-T60 VanDerWaalsContact C-OG1 3.22Å; S35-T60 PolarHBondContact O-N 3.4Å; S35-T60 PolarHBondContact O-OG1 3.47Å; E36-T60 PolarHBondContact N-OG1 3.21Å; T60-F62 PolarHBondContact O-N 3.42Å; T60-F62 VanDerWaalsContact O-N 3.07Å; T60-T63 WeakPolarHBondContact O-CB 3.3Å; T60-T63 PolarHBondContact O-N 3.34Å; T60-T63 PolarHBondContact O-OG1 2.95Å; T60-M71 HydrophobicContact CG2-CG 3.83Å; T60-M71 HydrophobicContact CG2-SD 3.69Å; T60-L75 HydrophobicContact CG2-CD1 3.78Å; T60-L75 HydrophobicContact CG2-CD2 4.27Å; T60-L75 HydrophobicContact CG2-CG 4.31Å; T60-Y86 HydrophobicContact CG2-CD1 4.38Å; T60-Y86 HydrophobicContact CG2-CE1 3.8Å; T60-F91 HydrophobicContact CG2-CE2 4.17Å; T60-F91 HydrophobicContact CG2-CZ 4.44Å; T60-F91 VanDerWaalsContact O-CE2 3.25Å; T60-F91 WeakPolarHBondContact O-CE2 3.38Å |
| 61 | R | 94.4 | Very high | 89.7 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -61.4 | -19.9 | 179.5 | 70.3 | 172.4 | -61.7 | -167.2 | 1.3 | 115.1 | R59 P88 E90 | R59-R61 VanDerWaalsContact C-N 3.34Å; R59-R61 PolarHBondContact O-N 3.28Å; R61-P88 HydrophobicContact CB-CB 4.18Å; R61-E90 IonicContact CZ-OE1 3.33Å; R61-E90 IonicContact NE-OE1 3.76Å; R61-E90 PolarHBondContact NE-OE1 2.87Å; R61-E90 IonicContact NH2-OE1 3Å; R61-E90 PolarHBondContact NH2-OE1 2.79Å |
| 62 | F | 94.8 | Very high | 90.9 | Very high | 116 Ų | 116 | 69.2 Ų | 69.2 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -104 | 17.5 | 179.3 | -58.4 | -53.9 | 0 | 0 | 0 | 112.6 | R59 T60 I64 | R59-F62 HydrophobicContact CB-CD2 3.89Å; R59-F62 PolarHBondContact O-N 3.42Å; T60-F62 PolarHBondContact O-N 3.42Å; T60-F62 VanDerWaalsContact O-N 3.07Å; F62-I64 PolarHBondContact O-N 3.43Å |
| 63 | T | 94.8 | Very high | 92.1 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -57.3 | 126.6 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | F37 T60 M71 F91 | F37-T63 HydrophobicContact CE1-CG2 4.46Å; F37-T63 VanDerWaalsContact CE1-OG1 3.31Å; F37-T63 WeakPolarHBondContact CE1-OG1 3.46Å; F37-T63 HydrophobicContact CZ-CG2 4.23Å; T60-T63 WeakPolarHBondContact O-CB 3.3Å; T60-T63 PolarHBondContact O-N 3.34Å; T60-T63 PolarHBondContact O-OG1 2.95Å; T63-M71 HydrophobicContact CG2-CB 4.06Å; T63-M71 HydrophobicContact CG2-CG 4.48Å; T63-F91 HydrophobicContact CG2-CZ 4.27Å | ||
| 64 | I | 93.1 | Very high | 93 | Very high | 78 Ų | 78 | 64.2 Ų | 64.2 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | trans | -70.7 | 160.1 | 176.5 | 63 | 169.7 | 0 | 0 | 0 | 111.5 | F62 A66 Y67 K68 | F62-I64 PolarHBondContact O-N 3.43Å; I64-A66 HydrophobicContact CD1-CB 3.99Å; I64-A66 HydrophobicContact CG1-CB 4.18Å; I64-A66 PolarHBondContact O-N 2.91Å; I64-A66 VanDerWaalsContact O-N 3.11Å; I64-Y67 HydrophobicContact CD1-CD2 4Å; I64-Y67 HydrophobicContact CD1-CE2 3.68Å; I64-Y67 HydrophobicContact CG1-CD2 3.64Å; I64-Y67 HydrophobicContact CG1-CE2 3.87Å; I64-Y67 HydrophobicContact CG1-CG 4.36Å; I64-Y67 PolarHBondContact O-N 3.04Å; I64-K68 PolarHBondContact O-N 3.24Å | ||
| 65 | S | 90.6 | Very high | 93.5 | Very high | 112 Ų | 112 | 59.4 Ų | 59.4 | 78% | 0.783 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -51.1 | -38.6 | -179 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | Y67 K68 | S65-Y67 PolarHBondContact O-N 3.48Å; S65-K68 PolarHBondContact O-N 3.27Å |
| 66 | A | 90.2 | Very high | 93.9 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 55% | 0.554 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.4 | -30.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I64 | I64-A66 HydrophobicContact CD1-CB 3.99Å; I64-A66 HydrophobicContact CG1-CB 4.18Å; I64-A66 PolarHBondContact O-N 2.91Å; I64-A66 VanDerWaalsContact O-N 3.11Å |
| 67 | Y | 91.1 | Very high | 94.2 | Very high | 32 Ų | 32 | 57.4 Ų | 57.4 | 13% | 0.125 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -113.2 | 2.9 | -177.1 | -48.2 | -43.4 | 0 | 0 | 0 | 112.8 | L39 K41 V56 I64 S65 A69 L70 M71 | L39-Y67 HydrophobicContact CD2-CD1 3.36Å; L39-Y67 HydrophobicContact CD2-CD2 4.12Å; L39-Y67 HydrophobicContact CD2-CE1 3.49Å; L39-Y67 VanDerWaalsContact CD2-CE1 3.49Å; L39-Y67 HydrophobicContact CD2-CE2 4.23Å; L39-Y67 HydrophobicContact CD2-CG 3.71Å; K41-Y67 WeakPolarHBondContact CE-OH 3.25Å; K41-Y67 PolarHBondContact NZ-OH 2.93Å; V56-Y67 HydrophobicContact CB-CE2 4.4Å; V56-Y67 HydrophobicContact CG1-CE2 4.05Å; V56-Y67 HydrophobicContact CG2-CE2 4.13Å; I64-Y67 HydrophobicContact CD1-CD2 4Å; I64-Y67 HydrophobicContact CD1-CE2 3.68Å; I64-Y67 HydrophobicContact CG1-CD2 3.64Å; I64-Y67 HydrophobicContact CG1-CE2 3.87Å; I64-Y67 HydrophobicContact CG1-CG 4.36Å; I64-Y67 PolarHBondContact O-N 3.04Å; S65-Y67 PolarHBondContact O-N 3.48Å; Y67-A69 PolarHBondContact O-N 3.34Å; Y67-L70 HydrophobicContact CD1-CD1 4.46Å; Y67-L70 PolarHBondContact O-N 3.31Å; Y67-M71 WeakPolarHBondContact O-CB 3.49Å; Y67-M71 PolarHBondContact O-N 2.8Å |
| 68 | K | 92.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | -171.9 | -169.3 | 171.4 | -174.8 | 172.9 | 0 | 112.5 | I64 S65 A72 E90 F91 | I64-K68 PolarHBondContact O-N 3.24Å; S65-K68 PolarHBondContact O-N 3.27Å; K68-A72 WeakPolarHBondContact O-CB 3.49Å; K68-A72 PolarHBondContact O-N 2.95Å; K68-E90 WeakPolarHBondContact CE-O 3.35Å; K68-E90 PolarHBondContact NZ-O 3.44Å; K68-F91 HydrophobicContact CG-CD1 4.37Å; K68-F91 HydrophobicContact CG-CE1 3.9Å |
| 69 | A | 92.5 | Very high | 94.6 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.5 | -47.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y67 M71 A72 T73 | Y67-A69 PolarHBondContact O-N 3.34Å; A69-M71 VanDerWaalsContact C-N 3.3Å; A69-M71 PolarHBondContact O-N 3.1Å; A69-A72 PolarHBondContact O-N 2.98Å; A69-T73 PolarHBondContact O-N 2.88Å; A69-T73 PolarHBondContact O-OG1 3.49Å |
| 70 | L | 93 | Very high | 94.7 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 177.1 | -57.4 | -179.6 | 0 | 0 | 0 | 111.1 | Y22 L28 L39 Y67 T73 A74 | Y22-L70 HydrophobicContact CD1-CD2 3.79Å; Y22-L70 HydrophobicContact CE1-CB 4.41Å; Y22-L70 HydrophobicContact CE1-CD2 3.34Å; Y22-L70 HydrophobicContact CE1-CG 4.4Å; Y22-L70 HydrophobicContact CE2-CB 4.47Å; Y22-L70 HydrophobicContact CE2-CD2 4.15Å; Y22-L70 HydrophobicContact CG-CD2 4.37Å; Y22-L70 WeakPolarHBondContact OH-CA 3.38Å; Y22-L70 WeakPolarHBondContact OH-CB 3.44Å; Y22-L70 PolarHBondContact OH-O 2.92Å; Y22-L70 VanDerWaalsContact OH-O 3.09Å; L28-L70 HydrophobicContact CD1-CB 4.24Å; L39-L70 HydrophobicContact CD1-CD1 4.26Å; L39-L70 HydrophobicContact CD2-CD1 4.38Å; Y67-L70 HydrophobicContact CD1-CD1 4.46Å; Y67-L70 PolarHBondContact O-N 3.31Å; L70-T73 PolarHBondContact O-N 2.69Å; L70-A74 PolarHBondContact O-N 3.45Å; L70-A74 VanDerWaalsContact O-N 3.09Å |
| 71 | M | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | 178.8 | -175.4 | 52.5 | 61.2 | 0 | 0 | 112.9 | L28 L30 F37 T60 T63 Y67 A69 T73 A74 L75 F91 | L28-M71 HydrophobicContact CD1-CE 3.86Å; L28-M71 HydrophobicContact CD2-CE 4.38Å; L28-M71 HydrophobicContact CG-CE 4.48Å; L30-M71 HydrophobicContact CD1-CE 4.39Å; L30-M71 HydrophobicContact CD1-SD 3.87Å; F37-M71 HydrophobicContact CB-CE 3.44Å; F37-M71 VanDerWaalsContact CB-CE 3.44Å; F37-M71 HydrophobicContact CD1-CE 3.24Å; F37-M71 HydrophobicContact CD2-CE 3.47Å; F37-M71 VanDerWaalsContact CD2-CE 3.47Å; F37-M71 HydrophobicContact CE1-CE 3.7Å; F37-M71 HydrophobicContact CE2-CE 3.94Å; F37-M71 HydrophobicContact CG-CE 3.09Å; F37-M71 HydrophobicContact CZ-CE 4.03Å; T60-M71 HydrophobicContact CG2-CG 3.83Å; T60-M71 HydrophobicContact CG2-SD 3.69Å; T63-M71 HydrophobicContact CG2-CB 4.06Å; T63-M71 HydrophobicContact CG2-CG 4.48Å; Y67-M71 WeakPolarHBondContact O-CB 3.49Å; Y67-M71 PolarHBondContact O-N 2.8Å; A69-M71 VanDerWaalsContact C-N 3.3Å; A69-M71 PolarHBondContact O-N 3.1Å; M71-T73 VanDerWaalsContact C-N 3.29Å; M71-T73 PolarHBondContact O-N 2.89Å; M71-A74 PolarHBondContact O-N 2.76Å; M71-L75 HydrophobicContact CG-CD1 4.13Å; M71-L75 HydrophobicContact CG-CG 4.39Å; M71-L75 WeakPolarHBondContact O-CB 3.43Å; M71-L75 WeakPolarHBondContact O-CG 3.47Å; M71-L75 PolarHBondContact O-N 3.2Å; M71-L75 HydrophobicContact SD-CD1 4.39Å; M71-L75 HydrophobicContact SD-CG 4.09Å; M71-F91 HydrophobicContact CB-CE1 3.67Å; M71-F91 HydrophobicContact CB-CZ 3.88Å; M71-F91 HydrophobicContact CG-CD1 4.49Å; M71-F91 HydrophobicContact CG-CE1 3.5Å; M71-F91 HydrophobicContact CG-CE2 4.33Å; M71-F91 HydrophobicContact CG-CZ 3.37Å |
| 72 | A | 94.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 35% | 0.347 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K68 A69 A76 F91 | K68-A72 WeakPolarHBondContact O-CB 3.49Å; K68-A72 PolarHBondContact O-N 2.95Å; A69-A72 PolarHBondContact O-N 2.98Å; A72-A76 VanDerWaalsContact O-CB 3.31Å; A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 2.91Å; A72-F91 HydrophobicContact CB-CD1 4.15Å |
| 73 | T | 95.2 | Very high | 94.7 | Very high | 45 Ų | 45 | 39 Ų | 39 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 174.5 | -56.1 | 0 | 0 | 0 | 0 | 112 | V7 M10 A69 L70 M71 L75 A76 F77 | V7-T73 HydrophobicContact CG2-CG2 4.01Å; M10-T73 HydrophobicContact SD-CG2 4.15Å; A69-T73 PolarHBondContact O-N 2.88Å; A69-T73 PolarHBondContact O-OG1 3.49Å; L70-T73 PolarHBondContact O-N 2.69Å; M71-T73 VanDerWaalsContact C-N 3.29Å; M71-T73 PolarHBondContact O-N 2.89Å; T73-L75 PolarHBondContact O-N 3.35Å; T73-A76 PolarHBondContact O-N 2.97Å; T73-F77 PolarHBondContact O-N 3.11Å |
| 74 | A | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V20 L28 L30 L70 M71 F77 R78 | V20-A74 HydrophobicContact CG2-CB 3.82Å; L28-A74 HydrophobicContact CD2-CB 3.69Å; L30-A74 HydrophobicContact CD2-CB 4.45Å; L70-A74 PolarHBondContact O-N 3.45Å; L70-A74 VanDerWaalsContact O-N 3.09Å; M71-A74 PolarHBondContact O-N 2.76Å; A74-F77 PolarHBondContact O-N 2.92Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 PolarHBondContact O-N 3.47Å |
| 75 | L | 97.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 176.3 | -76.7 | 175.3 | 0 | 0 | 0 | 112.6 | L30 T60 M71 T73 F77 R78 N79 Y86 P88 F91 | L30-L75 HydrophobicContact CD2-CD2 3.98Å; T60-L75 HydrophobicContact CG2-CD1 3.78Å; T60-L75 HydrophobicContact CG2-CD2 4.27Å; T60-L75 HydrophobicContact CG2-CG 4.31Å; M71-L75 HydrophobicContact CG-CD1 4.13Å; M71-L75 HydrophobicContact CG-CG 4.39Å; M71-L75 WeakPolarHBondContact O-CB 3.43Å; M71-L75 WeakPolarHBondContact O-CG 3.47Å; M71-L75 PolarHBondContact O-N 3.2Å; M71-L75 HydrophobicContact SD-CD1 4.39Å; M71-L75 HydrophobicContact SD-CG 4.09Å; T73-L75 PolarHBondContact O-N 3.35Å; L75-F77 VanDerWaalsContact C-N 3.34Å; L75-R78 PolarHBondContact O-N 3Å; L75-N79 VanDerWaalsContact O-CB 3.26Å; L75-N79 WeakPolarHBondContact O-CB 3.5Å; L75-N79 PolarHBondContact O-N 2.77Å; L75-N79 PolarHBondContact O-ND2 3.33Å; L75-Y86 HydrophobicContact CD2-CD1 3.77Å; L75-P88 HydrophobicContact CD1-CG 4.16Å; L75-F91 HydrophobicContact CD1-CB 4.47Å; L75-F91 HydrophobicContact CD1-CD1 4.14Å; L75-F91 HydrophobicContact CD1-CD2 4.19Å; L75-F91 HydrophobicContact CD1-CE1 4.43Å; L75-F91 HydrophobicContact CD1-CE2 4.46Å; L75-F91 HydrophobicContact CD1-CG 3.99Å |
| 76 | A | 96.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 33.4 Ų | 33.4 | 51% | 0.512 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | A72 T73 K80 | A72-A76 VanDerWaalsContact O-CB 3.31Å; A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 2.91Å; T73-A76 PolarHBondContact O-N 2.97Å; A76-K80 WeakPolarHBondContact O-CB 3.37Å; A76-K80 PolarHBondContact O-N 2.76Å; A76-K80 VanDerWaalsContact O-N 3.11Å |
| 77 | F | 97.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 6% | 0.057 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 174.6 | -178.3 | -103 | 0 | 0 | 0 | 111.8 | M10 M12 V18 T73 A74 L75 K80 Y81 I317 W319 | M10-F77 HydrophobicContact CB-CD1 3.87Å; M10-F77 HydrophobicContact CB-CD2 4.06Å; M10-F77 HydrophobicContact CB-CE1 3.72Å; M10-F77 HydrophobicContact CB-CE2 3.94Å; M10-F77 HydrophobicContact CB-CG 4.03Å; M10-F77 HydrophobicContact CB-CZ 3.76Å; M10-F77 HydrophobicContact CE-CB 4.45Å; M10-F77 HydrophobicContact CE-CD2 3.82Å; M10-F77 HydrophobicContact CE-CE2 4.39Å; M10-F77 HydrophobicContact CE-CG 4.27Å; M10-F77 HydrophobicContact CG-CG 4.45Å; M10-F77 HydrophobicContact SD-CB 3.67Å; M10-F77 HydrophobicContact SD-CD1 4.33Å; M10-F77 HydrophobicContact SD-CD2 3.87Å; M10-F77 HydrophobicContact SD-CG 3.7Å; M12-F77 HydrophobicContact CB-CE1 3.91Å; V18-F77 HydrophobicContact CG1-CD1 3.8Å; V18-F77 HydrophobicContact CG1-CE1 4.31Å; V18-F77 HydrophobicContact CG2-CD1 4.16Å; V18-F77 HydrophobicContact CG2-CE1 4.46Å; T73-F77 PolarHBondContact O-N 3.11Å; A74-F77 PolarHBondContact O-N 2.92Å; L75-F77 VanDerWaalsContact C-N 3.34Å; F77-K80 PolarHBondContact O-N 3.32Å; F77-Y81 HydrophobicContact CD2-CD2 4.18Å; F77-Y81 AromaticContact CD2-CE2 3.85Å; F77-Y81 HydrophobicContact CD2-CE2 3.85Å; F77-Y81 AromaticContact CE2-CD2 3.98Å; F77-Y81 HydrophobicContact CE2-CD2 3.98Å; F77-Y81 AromaticContact CE2-CE2 3.6Å; F77-Y81 HydrophobicContact CE2-CE2 3.6Å; F77-Y81 HydrophobicContact CZ-CD2 4.33Å; F77-Y81 HydrophobicContact CZ-CE2 4.34Å; F77-Y81 WeakPolarHBondContact O-CD2 3.26Å; F77-I317 HydrophobicContact CE2-CG2 4.15Å; F77-I317 HydrophobicContact CZ-CB 4.24Å; F77-I317 HydrophobicContact CZ-CG2 3.82Å; F77-W319 HydrophobicContact CE2-CB 3.7Å; F77-W319 HydrophobicContact CZ-CB 4.27Å |
| 78 | R | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -54.1 | 176.2 | -173.2 | -170.6 | 169 | -71.1 | -13.6 | 111.3 | M12 E16 V18 L30 P32 A74 L75 K80 Y81 A82 R84 | M12-R78 VanDerWaalsContact CE-CA 3.46Å; M12-R78 HydrophobicContact CE-CB 4.32Å; M12-R78 HydrophobicContact CE-CG 4.13Å; M12-R78 VanDerWaalsContact CE-O 3.26Å; M12-R78 WeakPolarHBondContact CE-O 3.27Å; E16-R78 IonicContact OE2-NH2 3.72Å; E16-R78 PolarHBondContact OE2-NH2 3.49Å; V18-R78 HydrophobicContact CG2-CB 3.86Å; V18-R78 HydrophobicContact CG2-CG 4.03Å; L30-R78 HydrophobicContact CD2-CB 4.04Å; L30-R78 HydrophobicContact CD2-CG 4.36Å; P32-R78 PolarHBondContact O-NE 3.27Å; P32-R78 PolarHBondContact O-NH2 2.95Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 PolarHBondContact O-N 3.47Å; L75-R78 PolarHBondContact O-N 3Å; R78-K80 PolarHBondContact O-N 3.23Å; R78-Y81 PolarHBondContact O-N 3.48Å; R78-Y81 VanDerWaalsContact O-N 3.16Å; R78-A82 HydrophobicContact CG-CB 4.19Å; R78-A82 WeakPolarHBondContact O-CB 3.43Å; R78-A82 PolarHBondContact O-N 2.83Å; R78-R84 PolarHBondContact NH1-O 3.18Å; R78-R84 PolarHBondContact NH2-O 3.34Å |
| 79 | N | 97.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.1 | -24 | -172.8 | -68.7 | -15.1 | 0 | 0 | 0 | 112.5 | L75 Y81 P85 Y86 Q219 | L75-N79 VanDerWaalsContact O-CB 3.26Å; L75-N79 WeakPolarHBondContact O-CB 3.5Å; L75-N79 PolarHBondContact O-N 2.77Å; L75-N79 PolarHBondContact O-ND2 3.33Å; N79-Y81 VanDerWaalsContact C-N 3.34Å; N79-Y81 PolarHBondContact O-N 3.39Å; N79-P85 HydrophobicContact CB-CB 4.17Å; N79-P85 WeakPolarHBondContact OD1-CA 3.32Å; N79-Y86 PolarHBondContact ND2-O 3.07Å; N79-Y86 PolarHBondContact OD1-N 3.17Å; N79-Q219 WeakPolarHBondContact O-CG 3.43Å |
| 80 | K | 97.5 | Very high | 95.9 | Very high | 40 Ų | 40 | 25 Ų | 25 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.7 | -30.7 | 175.3 | -173.4 | 176.8 | 178.3 | -163.8 | 0 | 113.6 | M1 A76 F77 R78 Q219 H220 | M1-K80 HydrophobicContact CE-CD 3.91Å; A76-K80 WeakPolarHBondContact O-CB 3.37Å; A76-K80 PolarHBondContact O-N 2.76Å; A76-K80 VanDerWaalsContact O-N 3.11Å; F77-K80 PolarHBondContact O-N 3.32Å; R78-K80 PolarHBondContact O-N 3.23Å; K80-Q219 VanDerWaalsContact O-CA 3.31Å; K80-Q219 WeakPolarHBondContact O-CA 3.43Å; K80-H220 HydrophobicContact CG-CB 4.08Å; K80-H220 PolarHBondContact O-N 3.07Å |
| 81 | Y | 96.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -126.4 | -6.8 | -171.7 | -56 | -72.9 | 0 | 0 | 0 | 114.8 | F77 R78 N79 H220 K316 I317 T324 | F77-Y81 HydrophobicContact CD2-CD2 4.18Å; F77-Y81 AromaticContact CD2-CE2 3.85Å; F77-Y81 HydrophobicContact CD2-CE2 3.85Å; F77-Y81 AromaticContact CE2-CD2 3.98Å; F77-Y81 HydrophobicContact CE2-CD2 3.98Å; F77-Y81 AromaticContact CE2-CE2 3.6Å; F77-Y81 HydrophobicContact CE2-CE2 3.6Å; F77-Y81 HydrophobicContact CZ-CD2 4.33Å; F77-Y81 HydrophobicContact CZ-CE2 4.34Å; F77-Y81 WeakPolarHBondContact O-CD2 3.26Å; R78-Y81 PolarHBondContact O-N 3.48Å; R78-Y81 VanDerWaalsContact O-N 3.16Å; N79-Y81 VanDerWaalsContact C-N 3.34Å; N79-Y81 PolarHBondContact O-N 3.39Å; Y81-H220 HydrophobicContact CD1-CB 4.44Å; Y81-H220 HydrophobicContact CE1-CB 3.97Å; Y81-K316 PolarHBondContact O-NZ 2.98Å; Y81-I317 HydrophobicContact CD1-CD1 3.89Å; Y81-I317 HydrophobicContact CD1-CG1 4.07Å; Y81-I317 HydrophobicContact CD2-CG1 4.25Å; Y81-I317 HydrophobicContact CD2-CG2 4.06Å; Y81-I317 HydrophobicContact CE1-CD1 4.36Å; Y81-I317 HydrophobicContact CE1-CG2 4.45Å; Y81-I317 HydrophobicContact CE2-CG2 4.01Å; Y81-I317 HydrophobicContact CG-CD1 4.16Å; Y81-I317 HydrophobicContact CG-CG1 3.8Å; Y81-I317 HydrophobicContact CG-CG2 4.34Å; Y81-T324 HydrophobicContact CE1-CG2 4.41Å; Y81-T324 WeakPolarHBondContact OH-CG2 3.49Å |
| 82 | A | 95.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -76.5 | 151.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M12 R78 R84 Q219 | M12-A82 HydrophobicContact CE-CB 4.43Å; R78-A82 HydrophobicContact CG-CB 4.19Å; R78-A82 WeakPolarHBondContact O-CB 3.43Å; R78-A82 PolarHBondContact O-N 2.83Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 2.91Å; A82-Q219 PolarHBondContact O-NE2 3.4Å |
| 83 | S | 93.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 27.6 Ų | 27.6 | 46% | 0.455 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -60.7 | -40.2 | 173.6 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | E16 | E16-S83 VanDerWaalsContact OE1-CB 3.24Å; E16-S83 WeakPolarHBondContact OE1-CB 3.13Å; E16-S83 PolarHBondContact OE1-N 3.48Å; E16-S83 PolarHBondContact OE1-OG 3.22Å; E16-S83 PolarHBondContact OE2-OG 3.28Å |
| 84 | R | 95.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 29.2 Ų | 29.2 | 34% | 0.34 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -128.3 | 134.5 | 177.8 | -68.1 | 177.7 | 62 | -173.9 | 1.4 | 111.7 | R78 A82 Q282 A283 L284 | R78-R84 PolarHBondContact NH1-O 3.18Å; R78-R84 PolarHBondContact NH2-O 3.34Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 2.91Å; R84-Q282 PolarHBondContact NE-O 3.18Å; R84-A283 PolarHBondContact NH2-O 3.4Å; R84-L284 HydrophobicContact CB-CD1 4.34Å; R84-L284 HydrophobicContact CB-CD2 4.03Å; R84-L284 HydrophobicContact CB-CG 3.85Å |
| 85 | P | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -77 | 150.9 | 179.7 | 33 | -35.5 | 0 | 0 | 0 | 111.3 | N79 L87 V217 A283 L284 | N79-P85 HydrophobicContact CB-CB 4.17Å; N79-P85 WeakPolarHBondContact OD1-CA 3.32Å; P85-L87 HydrophobicContact CB-CD1 4.1Å; P85-L87 HydrophobicContact CB-CD2 4.05Å; P85-L87 HydrophobicContact CB-CG 3.88Å; P85-L87 HydrophobicContact CG-CD1 3.95Å; P85-L87 HydrophobicContact CG-CG 4.23Å; P85-V217 HydrophobicContact CB-CG1 4.13Å; P85-V217 HydrophobicContact CB-CG2 4.32Å; P85-V217 HydrophobicContact CG-CG1 4.38Å; P85-V217 HydrophobicContact CG-CG2 4.21Å; P85-A283 CarbonylContact O-C 3.48Å; P85-A283 VanDerWaalsContact O-CA 3.25Å; P85-A283 WeakPolarHBondContact O-CA 3.26Å; P85-L284 PolarHBondContact O-N 3.17Å | ||
| 86 | Y | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -108.1 | 114.8 | 165.8 | -178.3 | -104.3 | 0 | 0 | 0 | 107.9 | C33 G34 T60 L75 N79 P88 L284 P285 L286 | C33-Y86 WeakPolarHBondContact O-CB 3.48Å; C33-Y86 WeakPolarHBondContact O-CD2 3.45Å; G34-Y86 VanDerWaalsContact O-CD1 3.3Å; G34-Y86 WeakPolarHBondContact O-CD1 3.26Å; G34-Y86 WeakPolarHBondContact O-CE1 3.31Å; T60-Y86 HydrophobicContact CG2-CD1 4.38Å; T60-Y86 HydrophobicContact CG2-CE1 3.8Å; L75-Y86 HydrophobicContact CD2-CD1 3.77Å; N79-Y86 PolarHBondContact ND2-O 3.07Å; N79-Y86 PolarHBondContact OD1-N 3.17Å; Y86-P88 VanDerWaalsContact CD1-CD 3.45Å; Y86-P88 HydrophobicContact CD1-CG 3.95Å; Y86-P88 HydrophobicContact CE1-CB 4.12Å; Y86-P88 HydrophobicContact CE1-CG 3.6Å; Y86-P88 WeakPolarHBondContact O-CD 3.49Å; Y86-L284 HydrophobicContact CD2-CB 4.09Å; Y86-P285 WeakPolarHBondContact CE2-O 3.29Å; Y86-L286 PolarHBondContact OH-O 2.99Å; Y86-L286 VanDerWaalsContact OH-O 3.06Å | ||
| 87 | L | 96.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -125.6 | 64.2 | -166.3 | -59.3 | 175.2 | 0 | 0 | 0 | 111.7 | P85 G89 C151 L153 S154 T215 V217 A283 | P85-L87 HydrophobicContact CB-CD1 4.1Å; P85-L87 HydrophobicContact CB-CD2 4.05Å; P85-L87 HydrophobicContact CB-CG 3.88Å; P85-L87 HydrophobicContact CG-CD1 3.95Å; P85-L87 HydrophobicContact CG-CG 4.23Å; L87-G89 PolarHBondContact O-N 3.2Å; L87-C151 HydrophobicContact CD1-CB 3.85Å; L87-L153 HydrophobicContact CB-CD2 4.24Å; L87-S154 PolarHBondContact N-OG 3.27Å; L87-S154 WeakPolarHBondContact O-CB 3.43Å; L87-S154 PolarHBondContact O-N 3.45Å; L87-T215 HydrophobicContact CD1-CG2 4.03Å; L87-T215 HydrophobicContact CD2-CG2 4.33Å; L87-V217 HydrophobicContact CD1-CG2 3.62Å; L87-V217 HydrophobicContact CD2-CG2 4.13Å; L87-V217 HydrophobicContact CG-CG2 4.48Å; L87-A283 HydrophobicContact CB-CB 4.36Å; L87-A283 HydrophobicContact CD1-CB 4.06Å; L87-A283 HydrophobicContact CG-CB 4.32Å | ||
| 88 | P | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | trans | -63.3 | 128.7 | 173.5 | 27.9 | -34.4 | 0 | 0 | 0 | 109.7 | R61 L75 Y86 E90 F91 L286 | R61-P88 HydrophobicContact CB-CB 4.18Å; L75-P88 HydrophobicContact CD1-CG 4.16Å; Y86-P88 VanDerWaalsContact CD1-CD 3.45Å; Y86-P88 HydrophobicContact CD1-CG 3.95Å; Y86-P88 HydrophobicContact CE1-CB 4.12Å; Y86-P88 HydrophobicContact CE1-CG 3.6Å; Y86-P88 WeakPolarHBondContact O-CD 3.49Å; P88-E90 WeakPolarHBondContact CB-OE2 3.35Å; P88-E90 PolarHBondContact O-N 3.04Å; P88-E90 VanDerWaalsContact O-N 3.1Å; P88-F91 HydrophobicContact CB-CD2 4.17Å; P88-F91 HydrophobicContact CG-CB 4.31Å; P88-F91 HydrophobicContact CG-CD2 3.54Å; P88-F91 HydrophobicContact CG-CE2 4.27Å; P88-F91 HydrophobicContact CG-CG 4.25Å; P88-F91 PolarHBondContact O-N 3.09Å; P88-L286 HydrophobicContact CB-CD2 3.93Å | ||
| 89 | G | 93.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -55 | -34.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L87 F91 I92 R97 | L87-G89 PolarHBondContact O-N 3.2Å; G89-F91 PolarHBondContact O-N 3.04Å; G89-I92 PolarHBondContact O-N 3.18Å; G89-R97 VanDerWaalsContact C-NH2 3.29Å; G89-R97 PolarHBondContact O-NH2 3.39Å |
| 90 | E | 93.8 | Very high | 91.5 | Very high | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -55.3 | -20 | 179.9 | -59.4 | 87.4 | 167 | 0 | 0 | 114.2 | R61 K68 P88 | R61-E90 IonicContact CZ-OE1 3.33Å; R61-E90 IonicContact NE-OE1 3.76Å; R61-E90 PolarHBondContact NE-OE1 2.87Å; R61-E90 IonicContact NH2-OE1 3Å; R61-E90 PolarHBondContact NH2-OE1 2.79Å; K68-E90 WeakPolarHBondContact CE-O 3.35Å; K68-E90 PolarHBondContact NZ-O 3.44Å; P88-E90 WeakPolarHBondContact CB-OE2 3.35Å; P88-E90 PolarHBondContact O-N 3.04Å; P88-E90 VanDerWaalsContact O-N 3.1Å |
| 91 | F | 93.9 | Very high | 90.1 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -103.5 | -6.5 | 177.6 | -72.3 | -91.4 | 0 | 0 | 0 | 114.7 | T60 T63 K68 M71 A72 L75 P88 G89 | T60-F91 HydrophobicContact CG2-CE2 4.17Å; T60-F91 HydrophobicContact CG2-CZ 4.44Å; T60-F91 VanDerWaalsContact O-CE2 3.25Å; T60-F91 WeakPolarHBondContact O-CE2 3.38Å; T63-F91 HydrophobicContact CG2-CZ 4.27Å; K68-F91 HydrophobicContact CG-CD1 4.37Å; K68-F91 HydrophobicContact CG-CE1 3.9Å; M71-F91 HydrophobicContact CB-CE1 3.67Å; M71-F91 HydrophobicContact CB-CZ 3.88Å; M71-F91 HydrophobicContact CG-CD1 4.49Å; M71-F91 HydrophobicContact CG-CE1 3.5Å; M71-F91 HydrophobicContact CG-CE2 4.33Å; M71-F91 HydrophobicContact CG-CZ 3.37Å; A72-F91 HydrophobicContact CB-CD1 4.15Å; L75-F91 HydrophobicContact CD1-CB 4.47Å; L75-F91 HydrophobicContact CD1-CD1 4.14Å; L75-F91 HydrophobicContact CD1-CD2 4.19Å; L75-F91 HydrophobicContact CD1-CE1 4.43Å; L75-F91 HydrophobicContact CD1-CE2 4.46Å; L75-F91 HydrophobicContact CD1-CG 3.99Å; P88-F91 HydrophobicContact CB-CD2 4.17Å; P88-F91 HydrophobicContact CG-CB 4.31Å; P88-F91 HydrophobicContact CG-CD2 3.54Å; P88-F91 HydrophobicContact CG-CE2 4.27Å; P88-F91 HydrophobicContact CG-CG 4.25Å; P88-F91 PolarHBondContact O-N 3.09Å; G89-F91 PolarHBondContact O-N 3.04Å |
| 92 | I | 92.5 | Very high | 88.9 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -100.1 | 118.3 | 177.9 | -49.5 | -56.1 | 0 | 0 | 0 | 109.1 | G89 N96 R97 L153 T215 | G89-I92 PolarHBondContact O-N 3.18Å; I92-N96 HydrophobicContact CG2-CB 3.99Å; I92-R97 HydrophobicContact CB-CG 4.16Å; I92-R97 HydrophobicContact CG2-CG 3.6Å; I92-R97 PolarHBondContact O-NE 3.23Å; I92-R97 PolarHBondContact O-NH2 3.11Å; I92-R97 VanDerWaalsContact O-NH2 3.1Å; I92-L153 HydrophobicContact CB-CD2 4.47Å; I92-L153 HydrophobicContact CG1-CD2 3.83Å; I92-T215 HydrophobicContact CD1-CG2 4.23Å; I92-T215 HydrophobicContact CG1-CG2 4.44Å; I92-T215 HydrophobicContact CG2-CG2 4.45Å |
| 93 | S | 88.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 60 Ų | 60 | 49% | 0.49 | 32% | 0.324 | S | S | . | . | trans | -56.7 | 146.3 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | D95 N96 R97 | S93-D95 PolarHBondContact O-N 3.33Å; S93-N96 PolarHBondContact O-N 2.89Å; S93-R97 WeakPolarHBondContact O-CG 3.33Å; S93-R97 PolarHBondContact O-N 2.78Å | ||
| 94 | A | 85.7 | Confident | 87 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -55.4 | -39.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N96 R97 | A94-N96 PolarHBondContact O-N 3.32Å; A94-R97 PolarHBondContact O-N 2.83Å; A94-R97 VanDerWaalsContact O-N 3.09Å |
| 95 | D | 86.9 | Confident | 86.6 | Confident | 149 Ų | 149 | 57.1 Ų | 57.1 | 80% | 0.797 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -64.9 | -25.2 | 179.4 | -50.4 | -40.8 | 0 | 0 | 0 | 113.3 | S93 | S93-D95 PolarHBondContact O-N 3.33Š|
| 96 | N | 87.8 | Confident | 86.3 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -93.7 | -1.5 | 180 | -65.1 | -21.1 | 0 | 0 | 0 | 112.5 | I92 S93 A94 T215 | I92-N96 HydrophobicContact CG2-CB 3.99Å; S93-N96 PolarHBondContact O-N 2.89Å; A94-N96 PolarHBondContact O-N 3.32Å; N96-T215 WeakPolarHBondContact O-CB 3.44Å; N96-T215 PolarHBondContact O-OG1 2.87Å |
| 97 | R | 89.9 | Confident | 86.1 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | trans | -95.6 | 118 | 175.7 | -62.3 | -169.8 | -161.1 | -177.8 | 18 | 109.5 | G89 I92 S93 A94 L153 Q213 A214 | G89-R97 VanDerWaalsContact C-NH2 3.29Å; G89-R97 PolarHBondContact O-NH2 3.39Å; I92-R97 HydrophobicContact CB-CG 4.16Å; I92-R97 HydrophobicContact CG2-CG 3.6Å; I92-R97 PolarHBondContact O-NE 3.23Å; I92-R97 PolarHBondContact O-NH2 3.11Å; I92-R97 VanDerWaalsContact O-NH2 3.1Å; S93-R97 WeakPolarHBondContact O-CG 3.33Å; S93-R97 PolarHBondContact O-N 2.78Å; A94-R97 PolarHBondContact O-N 2.83Å; A94-R97 VanDerWaalsContact O-N 3.09Å; R97-L153 HydrophobicContact CG-CD1 4.5Å; R97-Q213 VanDerWaalsContact NH1-OE1 3.17Å; R97-A214 WeakPolarHBondContact CA-O 3.47Å | ||
| 98 | K | 86.6 | Confident | 86 | Confident | 118 Ų | 118 | 60.3 Ų | 60.3 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.6 | 176.5 | -64.1 | 179 | -177.6 | 174.6 | 0 | 109.1 | F100 A214 | K98-F100 PolarHBondContact O-N 2.76Å; K98-A214 PolarHBondContact N-O 2.87Å; K98-A214 PolarHBondContact O-N 2.61Å |
| 99 | P | 82.2 | Confident | 86 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 49% | 0.494 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 137.2 | 161.8 | -29.5 | 38.9 | 0 | 0 | 0 | 111.1 | M211 | P99-M211 HydrophobicContact CB-CE 3.35Å; P99-M211 HydrophobicContact CB-CG 4.43Å; P99-M211 HydrophobicContact CG-CE 3.49Å; P99-M211 VanDerWaalsContact CG-CE 3.49Å |
| 100 | F | 76.3 | Confident | 86 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 18% | 0.18 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 132.6 | 178.6 | -157 | -117.1 | 0 | 0 | 0 | 110.2 | K98 S102 T150 N152 Y212 A214 | K98-F100 PolarHBondContact O-N 2.76Å; F100-S102 WeakPolarHBondContact CD1-O 3.26Å; F100-S102 WeakPolarHBondContact CE1-O 3.38Å; F100-T150 HydrophobicContact CD2-CG2 4.42Å; F100-T150 HydrophobicContact CE2-CG2 4.32Å; F100-N152 WeakPolarHBondContact CD1-OD1 3.35Å; F100-Y212 PolarHBondContact N-O 3.07Å; F100-Y212 WeakPolarHBondContact O-CA 3.46Å; F100-Y212 VanDerWaalsContact O-CB 3.3Å; F100-Y212 WeakPolarHBondContact O-CB 3.44Å; F100-Y212 PolarHBondContact O-N 2.9Å; F100-A214 HydrophobicContact CB-CB 3.74Å; F100-A214 HydrophobicContact CD1-CB 4.36Å; F100-A214 HydrophobicContact CG-CB 3.99Å |
| 101 | H | 66.6 | Low | 85.8 | Confident | 125 Ų | 125 | 61.1 Ų | 61.1 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | trans | -102.8 | -7 | -170 | -63.8 | -93.4 | 0 | 0 | 0 | 113 | E209 | H101-E209 IonicContact ND1-OE2 2.88Š| ||
| 102 | S | 71.2 | Confident | 85.4 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | trans | -120.9 | 143.8 | -177.8 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | F100 D104 | F100-S102 WeakPolarHBondContact CD1-O 3.26Å; F100-S102 WeakPolarHBondContact CE1-O 3.38Å; S102-D104 VanDerWaalsContact C-N 3.35Å; S102-D104 VanDerWaalsContact OG-CB 3.28Å; S102-D104 WeakPolarHBondContact OG-CB 3.21Å; S102-D104 PolarHBondContact OG-N 3.05Å | ||
| 103 | I | 71.7 | Confident | 84.9 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | trans | -89.8 | -14.3 | 167.4 | -53.7 | 172.9 | 0 | 0 | 0 | 110 | S105 Y212 | I103-S105 PolarHBondContact O-N 3.27Å; I103-Y212 HydrophobicContact CD1-CE1 4.36Å; I103-Y212 HydrophobicContact CD1-CE2 3.69Å; I103-Y212 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y212 VanDerWaalsContact CD1-OH 3.23Å; I103-Y212 WeakPolarHBondContact CD1-OH 3.24Å; I103-Y212 HydrophobicContact CG1-CD2 3.91Å; I103-Y212 HydrophobicContact CG1-CE1 4.37Å; I103-Y212 HydrophobicContact CG1-CE2 3.34Å | ||
| 104 | D | 79.4 | Confident | 84.5 | Confident | 77 Ų | 77 | 65.4 Ų | 65.4 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | trans | -64.3 | 119.3 | -173.9 | -171.4 | 10.6 | 0 | 0 | 0 | 111.3 | S102 S106 R133 | S102-D104 VanDerWaalsContact C-N 3.35Å; S102-D104 VanDerWaalsContact OG-CB 3.28Å; S102-D104 WeakPolarHBondContact OG-CB 3.21Å; S102-D104 PolarHBondContact OG-N 3.05Å; D104-S106 VanDerWaalsContact OD1-CB 3.28Å; D104-S106 WeakPolarHBondContact OD1-CB 3.44Å; D104-S106 PolarHBondContact OD1-N 3.25Å; D104-S106 PolarHBondContact OD1-OG 2.86Å; D104-S106 PolarHBondContact OD2-OG 3.28Å; D104-R133 PolarHBondContact O-NH1 2.86Å | ||
| 105 | S | 85.9 | Confident | 84.6 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | trans | -89 | -4.5 | 177.2 | 46 | 0 | 0 | 0 | 0 | 113 | I103 Q279 L280 Q282 | I103-S105 PolarHBondContact O-N 3.27Å; S105-Q279 PolarHBondContact OG-OE1 3.44Å; S105-L280 WeakPolarHBondContact CB-O 3.17Å; S105-L280 WeakPolarHBondContact O-CB 3.26Å; S105-L280 VanDerWaalsContact O-CG 3.29Å; S105-L280 WeakPolarHBondContact O-CG 3.12Å; S105-L280 PolarHBondContact O-N 3.43Å; S105-Q282 PolarHBondContact OG-NE2 2.96Å; S105-Q282 VanDerWaalsContact OG-NE2 3.15Å | ||
| 106 | S | 91.1 | Very high | 84.4 | Confident | 29 Ų | 29 | 64 Ų | 64 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 143.1 | 174.8 | 76.5 | 0 | 0 | 0 | 0 | 110.3 | D104 R133 S278 | D104-S106 VanDerWaalsContact OD1-CB 3.28Å; D104-S106 WeakPolarHBondContact OD1-CB 3.44Å; D104-S106 PolarHBondContact OD1-N 3.25Å; D104-S106 PolarHBondContact OD1-OG 2.86Å; D104-S106 PolarHBondContact OD2-OG 3.28Å; S106-R133 PolarHBondContact O-NH1 3.43Å; S106-R133 PolarHBondContact O-NH2 3Å; S106-S278 CarbonylContact C-O 3.56Å; S106-S278 WeakPolarHBondContact CA-O 3.31Å |
| 107 | V | 93.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148 | 166.1 | -69.8 | 0 | 0 | 0 | 0 | 108.9 | W109 R133 A134 D277 S278 L280 | V107-W109 HydrophobicContact CG2-CZ2 4.39Å; V107-R133 HydrophobicContact CG1-CB 3.92Å; V107-A134 HydrophobicContact CG2-CB 4.39Å; V107-D277 WeakPolarHBondContact O-CA 3.47Å; V107-S278 PolarHBondContact N-O 3.13Å; V107-S278 PolarHBondContact O-N 2.66Å; V107-L280 HydrophobicContact CG1-CD1 3.51Å; V107-L280 HydrophobicContact CG1-CD2 4.32Å; V107-L280 HydrophobicContact CG1-CG 3.84Å; V107-L280 HydrophobicContact CG2-CD1 4.5Å; V107-L280 HydrophobicContact CG2-CD2 3.79Å; V107-L280 HydrophobicContact CG2-CG 3.99Å |
| 108 | K | 94.6 | Very high | 83.9 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.4 | 175.6 | -163.5 | 165.9 | -170.1 | 176.5 | 0 | 111.3 | S129 E130 E131 D273 R276 | K108-S129 CarbonylContact O-C 3.59Å; K108-S129 WeakPolarHBondContact O-CA 3.23Å; K108-S129 WeakPolarHBondContact O-CB 3.47Å; K108-E130 PolarHBondContact O-N 3.25Å; K108-E131 PolarHBondContact N-OE1 3.38Å; K108-D273 WeakPolarHBondContact CE-OD1 3.43Å; K108-D273 IonicContact NZ-OD1 2.77Å; K108-D273 PolarHBondContact NZ-OD1 3.35Å; K108-D273 IonicContact NZ-OD2 2.85Å; K108-D273 PolarHBondContact NZ-OD2 3.43Å; K108-R276 HydrophobicContact CG-CB 4.4Å |
| 109 | W | 94.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 152.1 | 175.7 | -63.4 | 107.5 | 0 | 0 | 0 | 111.6 | V107 V127 S129 A134 W230 Y232 P233 R276 S278 | V107-W109 HydrophobicContact CG2-CZ2 4.39Å; W109-V127 HydrophobicContact CE3-CG1 3.89Å; W109-V127 HydrophobicContact CZ3-CG1 4.2Å; W109-S129 VanDerWaalsContact CZ3-N 3.34Å; W109-A134 HydrophobicContact CH2-CB 3.68Å; W109-A134 HydrophobicContact CZ2-CB 4Å; W109-W230 HydrophobicContact CH2-CZ3 4.34Å; W109-W230 AromaticContact CZ2-CE3 3.97Å; W109-W230 HydrophobicContact CZ2-CE3 3.97Å; W109-W230 AromaticContact CZ2-CZ3 3.81Å; W109-W230 HydrophobicContact CZ2-CZ3 3.81Å; W109-Y232 HydrophobicContact CB-CD1 3.58Å; W109-Y232 HydrophobicContact CB-CE1 3.62Å; W109-Y232 HydrophobicContact CG-CD1 4.1Å; W109-P233 HydrophobicContact CD2-CB 3.62Å; W109-P233 HydrophobicContact CD2-CG 3.95Å; W109-P233 HydrophobicContact CE3-CB 3.77Å; W109-P233 HydrophobicContact CE3-CG 4.49Å; W109-P233 HydrophobicContact CG-CB 4.12Å; W109-P233 HydrophobicContact CG-CG 4.35Å; W109-P233 HydrophobicContact CH2-CB 4.07Å; W109-P233 HydrophobicContact CH2-CG 4.24Å; W109-P233 HydrophobicContact CZ2-CB 3.94Å; W109-P233 HydrophobicContact CZ2-CG 3.69Å; W109-P233 HydrophobicContact CZ3-CB 3.98Å; W109-R276 PolarHBondContact N-O 3.41Å; W109-R276 PolarHBondContact O-NE 3.34Å; W109-R276 PolarHBondContact O-NH2 2.64Å; W109-S278 PolarHBondContact NE1-OG 3.06Å |
| 110 | P | 93.3 | Very high | 83.5 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 150.6 | -177.4 | 26.1 | -35.8 | 0 | 0 | 0 | 111.5 | Y115 V127 R128 Y232 L236 | P110-Y115 HydrophobicContact CB-CD2 4.44Å; P110-Y115 HydrophobicContact CG-CD2 3.82Å; P110-Y115 HydrophobicContact CG-CG 4.3Å; P110-V127 HydrophobicContact CG-CG1 4.15Å; P110-R128 WeakPolarHBondContact CD-O 3.45Å; P110-Y232 PolarHBondContact O-OH 3.19Å; P110-L236 HydrophobicContact CG-CD1 4.23Å |
| 111 | E | 90.4 | Very high | 83.2 | Confident | 81 Ų | 81 | 63.9 Ų | 63.9 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 147.2 | 174.1 | -63.8 | 178.9 | -176.4 | 0 | 0 | 111.1 | S113 S114 Y115 R276 | E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 3.06Å; E111-S114 PolarHBondContact O-N 3.45Å; E111-S114 VanDerWaalsContact O-N 3.09Å; E111-S114 PolarHBondContact O-OG 2.77Å; E111-Y115 WeakPolarHBondContact O-CB 3.36Å; E111-Y115 PolarHBondContact O-N 2.85Å; E111-R276 IonicContact OE1-CZ 3.5Å; E111-R276 IonicContact OE1-NH1 3.34Å; E111-R276 PolarHBondContact OE1-NH1 3.16Å |
| 112 | W | 84.3 | Confident | 83.4 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -45.7 | 176.2 | -176.5 | -86.3 | 0 | 0 | 0 | 112.7 | S114 L236 H239 I268 D270 | W112-S114 VanDerWaalsContact C-N 3.29Å; W112-S114 PolarHBondContact O-N 2.81Å; W112-L236 HydrophobicContact CB-CD2 4.3Å; W112-L236 HydrophobicContact CD2-CD2 4.16Å; W112-L236 HydrophobicContact CE3-CD2 3.41Å; W112-L236 VanDerWaalsContact CE3-CD2 3.41Å; W112-L236 HydrophobicContact CE3-CG 4.39Å; W112-L236 HydrophobicContact CZ3-CD2 4.13Å; W112-H239 AromaticContact CE2-CD2 3.92Å; W112-H239 HydrophobicContact CH2-CB 3.17Å; W112-H239 AromaticContact CH2-CD2 3.5Å; W112-H239 AromaticContact CH2-CG 3.04Å; W112-H239 AromaticContact CH2-ND1 3.43Å; W112-H239 WeakPolarHBondContact CH2-ND1 3.33Å; W112-H239 HydrophobicContact CZ2-CB 3.87Å; W112-H239 AromaticContact CZ2-CD2 3.18Å; W112-H239 WeakPolarHBondContact CZ2-CD2 3.47Å; W112-H239 AromaticContact CZ2-CE1 3.48Å; W112-H239 VanDerWaalsContact CZ2-CE1 3.48Å; W112-H239 WeakPolarHBondContact CZ2-CE1 3.33Å; W112-H239 AromaticContact CZ2-CG 3.18Å; W112-H239 AromaticContact CZ2-ND1 3.37Å; W112-H239 WeakPolarHBondContact CZ2-ND1 3.5Å; W112-H239 AromaticContact CZ2-NE2 3.39Å; W112-H239 WeakPolarHBondContact CZ2-NE2 3.45Å; W112-H239 HydrophobicContact CZ3-CB 3.76Å; W112-I268 HydrophobicContact CD2-CG2 3.92Å; W112-I268 HydrophobicContact CE3-CB 4.46Å; W112-I268 HydrophobicContact CE3-CD1 4.36Å; W112-I268 HydrophobicContact CE3-CG2 3.52Å; W112-I268 HydrophobicContact CG-CG2 4.5Å; W112-I268 HydrophobicContact CH2-CB 4.29Å; W112-I268 HydrophobicContact CH2-CD1 3.46Å; W112-I268 VanDerWaalsContact CH2-CD1 3.46Å; W112-I268 HydrophobicContact CH2-CG1 4.46Å; W112-I268 HydrophobicContact CH2-CG2 4.2Å; W112-I268 HydrophobicContact CZ2-CD1 4.48Å; W112-I268 HydrophobicContact CZ3-CB 4.27Å; W112-I268 HydrophobicContact CZ3-CD1 3.44Å; W112-I268 VanDerWaalsContact CZ3-CD1 3.44Å; W112-I268 HydrophobicContact CZ3-CG1 4.38Å; W112-I268 HydrophobicContact CZ3-CG2 3.74Å; W112-D270 WeakPolarHBondContact CB-OD1 3.49Å |
| 113 | S | 81.8 | Confident | 83.8 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 65% | 0.65 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -26 | -177.9 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | E111 | E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 3.06Å |
| 114 | S | 81.1 | Confident | 84.6 | Confident | 70 Ų | 70 | 56 Ų | 56 | 49% | 0.49 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -20.6 | -175.1 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | E111 W112 K116 | E111-S114 PolarHBondContact O-N 3.45Å; E111-S114 VanDerWaalsContact O-N 3.09Å; E111-S114 PolarHBondContact O-OG 2.77Å; W112-S114 VanDerWaalsContact C-N 3.29Å; W112-S114 PolarHBondContact O-N 2.81Å; S114-K116 PolarHBondContact O-N 2.99Å |
| 115 | Y | 87.1 | Confident | 85.3 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 9% | 0.09 | 29% | 0.294 | C | S | . | . | trans | -66.1 | 128.8 | -178.6 | 176.9 | -118.9 | 0 | 0 | 0 | 111.1 | P110 E111 V126 V127 L236 H240 | P110-Y115 HydrophobicContact CB-CD2 4.44Å; P110-Y115 HydrophobicContact CG-CD2 3.82Å; P110-Y115 HydrophobicContact CG-CG 4.3Å; E111-Y115 WeakPolarHBondContact O-CB 3.36Å; E111-Y115 PolarHBondContact O-N 2.85Å; Y115-V126 PolarHBondContact OH-O 3.12Å; Y115-V127 HydrophobicContact CE1-CG2 4.08Å; Y115-V127 HydrophobicContact CE2-CB 4.36Å; Y115-V127 HydrophobicContact CE2-CG1 4.25Å; Y115-V127 HydrophobicContact CE2-CG2 4.13Å; Y115-V127 VanDerWaalsContact OH-CG2 3.29Å; Y115-V127 WeakPolarHBondContact OH-CG2 3.41Å; Y115-L236 HydrophobicContact CD1-CB 4.25Å; Y115-L236 HydrophobicContact CD1-CD2 4.18Å; Y115-L236 HydrophobicContact CE1-CB 4.3Å; Y115-H240 AromaticContact CD1-CD2 3.65Å; Y115-H240 AromaticContact CD1-NE2 3.49Å; Y115-H240 WeakPolarHBondContact CD1-NE2 3.48Å; Y115-H240 AromaticContact CE1-CD2 3.41Å; Y115-H240 VanDerWaalsContact CE1-CD2 3.41Å; Y115-H240 WeakPolarHBondContact CE1-CD2 3.41Å; Y115-H240 AromaticContact CE1-NE2 3.71Å | ||
| 116 | K | 84.1 | Confident | 85.7 | Confident | 173 Ų | 173 | 52.2 Ų | 52.2 | 75% | 0.752 | 29% | 0.292 | S | S | * | . | trans | -116.3 | 130.2 | 170.4 | -68.1 | -176.9 | -179.1 | 178.3 | 0 | 108.1 | S114 E118 | S114-K116 PolarHBondContact O-N 2.99Å; K116-E118 PolarHBondContact O-N 3.03Å | ||
| 117 | P | 80.6 | Confident | 85.9 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 124.6 | -176.3 | 27.5 | -34.5 | 0 | 0 | 0 | 110.4 | F119 I125 H240 | P117-F119 HydrophobicContact CB-CE1 4.27Å; P117-F119 HydrophobicContact CB-CE2 4.09Å; P117-F119 HydrophobicContact CB-CZ 3.8Å; P117-F119 HydrophobicContact CG-CE2 3.87Å; P117-F119 HydrophobicContact CG-CZ 3.71Å; P117-I125 HydrophobicContact CB-CG2 4.4Å; P117-H240 HydrophobicContact CB-CB 4.14Å; P117-H240 HydrophobicContact CG-CB 4.49Å |
| 118 | E | 85.6 | Confident | 86 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 42% | 0.416 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.7 | 163.9 | -74 | 179.8 | -153 | 0 | 0 | 108.3 | K116 V126 R128 | K116-E118 PolarHBondContact O-N 3.03Å; E118-V126 HydrophobicContact CB-CB 4Å; E118-V126 PolarHBondContact O-N 2.83Å; E118-R128 IonicContact OE1-NE 2.66Å; E118-R128 PolarHBondContact OE1-NE 2.91Å; E118-R128 IonicContact OE2-CZ 2.64Å; E118-R128 IonicContact OE2-NE 3.65Å; E118-R128 PolarHBondContact OE2-NE 2.98Å; E118-R128 IonicContact OE2-NH2 3.44Å; E118-R128 PolarHBondContact OE2-NH2 3.3Å |
| 119 | F | 82.3 | Confident | 86.1 | Confident | 121 Ų | 121 | 54 Ų | 54 | 53% | 0.531 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.9 | 179.1 | -62.8 | -75.9 | 0 | 0 | 0 | 110.7 | P117 D124 I125 | P117-F119 HydrophobicContact CB-CE1 4.27Å; P117-F119 HydrophobicContact CB-CE2 4.09Å; P117-F119 HydrophobicContact CB-CZ 3.8Å; P117-F119 HydrophobicContact CG-CE2 3.87Å; P117-F119 HydrophobicContact CG-CZ 3.71Å; F119-D124 WeakPolarHBondContact CA-O 3.49Å; F119-I125 HydrophobicContact CD1-CG1 4.3Å; F119-I125 HydrophobicContact CE1-CD1 4.46Å; F119-I125 HydrophobicContact CE1-CG1 4.2Å |
| 120 | G | 78.3 | Confident | 86 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 161.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G122 G123 D124 | G120-G122 PolarHBondContact O-N 2.62Å; G120-G122 VanDerWaalsContact O-N 3.17Å; G120-G123 PolarHBondContact O-N 3.41Å; G120-D124 PolarHBondContact N-O 2.92Å |
| 121 | P | 70.3 | Confident | 85.9 | Confident | 148 Ų | 148 | 62.5 Ų | 62.5 | 96% | 0.961 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.1 | 179.6 | 24.8 | -33.4 | 0 | 0 | 0 | 113.4 | ||
| 122 | G | 70.3 | Confident | 85.9 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G120 D124 P140 | G120-G122 PolarHBondContact O-N 2.62Å; G120-G122 VanDerWaalsContact O-N 3.17Å; G122-D124 VanDerWaalsContact C-N 3.34Å; G122-P140 WeakPolarHBondContact O-CG 3.28Å |
| 123 | G | 79.9 | Confident | 86.2 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 82.8 | 14.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G120 | G120-G123 PolarHBondContact O-N 3.41Š|
| 124 | D | 89.2 | Confident | 86.9 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | trans | -64.9 | 153.3 | 170.6 | -44.7 | -73.4 | 0 | 0 | 0 | 110.7 | F119 G120 G122 T137 L138 P140 | F119-D124 WeakPolarHBondContact CA-O 3.49Å; G120-D124 PolarHBondContact N-O 2.92Å; G122-D124 VanDerWaalsContact C-N 3.34Å; D124-T137 HydrophobicContact CB-CG2 3.68Å; D124-L138 VanDerWaalsContact CA-O 3.25Å; D124-L138 WeakPolarHBondContact CA-O 3.31Å; D124-L138 WeakPolarHBondContact CB-O 3.49Å; D124-P140 WeakPolarHBondContact OD1-CD 3.44Å; D124-P140 WeakPolarHBondContact OD1-CG 3.47Å | ||
| 125 | I | 92.5 | Very high | 87.6 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.3 | 174.8 | -59.3 | -176.7 | 0 | 0 | 0 | 109.2 | P117 F119 T137 L138 A237 H240 W241 | P117-I125 HydrophobicContact CB-CG2 4.4Å; F119-I125 HydrophobicContact CD1-CG1 4.3Å; F119-I125 HydrophobicContact CE1-CD1 4.46Å; F119-I125 HydrophobicContact CE1-CG1 4.2Å; I125-T137 CarbonylContact O-C 3.51Å; I125-T137 WeakPolarHBondContact O-CA 3.4Å; I125-L138 HydrophobicContact CB-CB 4.38Å; I125-L138 PolarHBondContact N-O 3.49Å; I125-L138 PolarHBondContact O-N 3.47Å; I125-A237 HydrophobicContact CG2-CB 4.15Å; I125-H240 HydrophobicContact CD1-CB 3.99Å; I125-H240 HydrophobicContact CG2-CB 4.48Å; I125-W241 VanDerWaalsContact CD1-CA 3.45Å; I125-W241 HydrophobicContact CD1-CB 3.67Å; I125-W241 HydrophobicContact CD1-CG 4.48Å; I125-W241 VanDerWaalsContact CD1-N 3.27Å |
| 126 | V | 95 | Very high | 88.1 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.2 | -173.4 | -178.7 | 0 | 0 | 0 | 0 | 111 | Y115 E118 R128 M135 L136 T137 | Y115-V126 PolarHBondContact OH-O 3.12Å; E118-V126 HydrophobicContact CB-CB 4Å; E118-V126 PolarHBondContact O-N 2.83Å; V126-R128 HydrophobicContact CG1-CG 4.19Å; V126-M135 HydrophobicContact CG1-CG 3.54Å; V126-M135 HydrophobicContact CG1-SD 3.61Å; V126-L136 CarbonylContact C-O 3.58Å; V126-L136 WeakPolarHBondContact CA-O 3.46Å; V126-T137 HydrophobicContact CG2-CG2 4.14Å |
| 127 | V | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.1 | 172.5 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | W109 P110 Y115 M135 L136 P233 L236 A237 | W109-V127 HydrophobicContact CE3-CG1 3.89Å; W109-V127 HydrophobicContact CZ3-CG1 4.2Å; P110-V127 HydrophobicContact CG-CG1 4.15Å; Y115-V127 HydrophobicContact CE1-CG2 4.08Å; Y115-V127 HydrophobicContact CE2-CB 4.36Å; Y115-V127 HydrophobicContact CE2-CG1 4.25Å; Y115-V127 HydrophobicContact CE2-CG2 4.13Å; Y115-V127 VanDerWaalsContact OH-CG2 3.29Å; Y115-V127 WeakPolarHBondContact OH-CG2 3.41Å; V127-M135 CarbonylContact O-C 3.53Å; V127-M135 VanDerWaalsContact O-CA 3.31Å; V127-M135 WeakPolarHBondContact O-CA 3.29Å; V127-L136 HydrophobicContact CB-CB 4.44Å; V127-L136 PolarHBondContact N-O 2.96Å; V127-L136 PolarHBondContact O-N 3.38Å; V127-P233 HydrophobicContact CG1-CB 4.17Å; V127-L236 HydrophobicContact CG1-CD1 4.01Å; V127-L236 HydrophobicContact CG2-CB 4.15Å; V127-A237 HydrophobicContact CG2-CB 3.85Å |
| 128 | R | 95.6 | Very high | 89.4 | Confident | 108 Ų | 108 | 44.9 Ų | 44.9 | 41% | 0.408 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 145 | 179 | -60.7 | -178.8 | -172.6 | -75 | -11.9 | 110.2 | P110 E118 V126 M135 | P110-R128 WeakPolarHBondContact CD-O 3.45Å; E118-R128 IonicContact OE1-NE 2.66Å; E118-R128 PolarHBondContact OE1-NE 2.91Å; E118-R128 IonicContact OE2-CZ 2.64Å; E118-R128 IonicContact OE2-NE 3.65Å; E118-R128 PolarHBondContact OE2-NE 2.98Å; E118-R128 IonicContact OE2-NH2 3.44Å; E118-R128 PolarHBondContact OE2-NH2 3.3Å; V126-R128 HydrophobicContact CG1-CG 4.19Å; R128-M135 HydrophobicContact CG-CG 4.28Å; R128-M135 PolarHBondContact NH1-SD 2.95Å |
| 129 | S | 95.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | trans | -66.7 | 153.4 | 168.5 | 89.4 | 0 | 0 | 0 | 0 | 109.8 | K108 W109 E131 G132 R133 A134 | K108-S129 CarbonylContact O-C 3.59Å; K108-S129 WeakPolarHBondContact O-CA 3.23Å; K108-S129 WeakPolarHBondContact O-CB 3.47Å; W109-S129 VanDerWaalsContact CZ3-N 3.34Å; S129-E131 WeakPolarHBondContact CB-OE2 3.19Å; S129-E131 PolarHBondContact O-N 2.87Å; S129-E131 PolarHBondContact OG-OE2 2.98Å; S129-G132 PolarHBondContact O-N 2.99Å; S129-G132 PolarHBondContact OG-N 3.26Å; S129-R133 PolarHBondContact OG-N 2.83Å; S129-R133 VanDerWaalsContact OG-N 3.11Å; S129-A134 PolarHBondContact N-O 2.63Å; S129-A134 PolarHBondContact OG-N 3.48Å | ||
| 130 | E | 93.4 | Very high | 89.9 | Confident | 111 Ų | 111 | 36.3 Ų | 36.3 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -32.6 | -176.8 | -66 | -174.3 | 162.4 | 0 | 0 | 112 | K108 G132 R276 | K108-E130 PolarHBondContact O-N 3.25Å; E130-G132 VanDerWaalsContact C-N 3.32Å; E130-R276 IonicContact OE1-CZ 3.25Å; E130-R276 IonicContact OE1-NH2 3.09Å; E130-R276 PolarHBondContact OE1-NH2 3.44Å |
| 131 | E | 90.4 | Very high | 90.4 | Very high | 87 Ų | 87 | 35.9 Ų | 35.9 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.9 | 178.6 | -36.5 | 82.7 | 165.6 | 0 | 0 | 113 | K108 S129 R133 | K108-E131 PolarHBondContact N-OE1 3.38Å; S129-E131 WeakPolarHBondContact CB-OE2 3.19Å; S129-E131 PolarHBondContact O-N 2.87Å; S129-E131 PolarHBondContact OG-OE2 2.98Å; E131-R133 HydrophobicContact CB-CG 4.22Å; E131-R133 PolarHBondContact O-N 3.45Å |
| 132 | G | 90.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 29 Ų | 29 | 59% | 0.588 | 17% | 0.167 | S | C | * | . | S | Bend | trans | 65.5 | 19.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S129 E130 | S129-G132 PolarHBondContact O-N 2.99Å; S129-G132 PolarHBondContact OG-N 3.26Å; E130-G132 VanDerWaalsContact C-N 3.32Å |
| 133 | R | 92.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -87.8 | -19.3 | -178.5 | -73.1 | -166.2 | -66.8 | 149.6 | -13.3 | 113.5 | D104 S106 V107 S129 E131 F149 T150 | D104-R133 PolarHBondContact O-NH1 2.86Å; S106-R133 PolarHBondContact O-NH1 3.43Å; S106-R133 PolarHBondContact O-NH2 3Å; V107-R133 HydrophobicContact CG1-CB 3.92Å; S129-R133 PolarHBondContact OG-N 2.83Å; S129-R133 VanDerWaalsContact OG-N 3.11Å; E131-R133 HydrophobicContact CB-CG 4.22Å; E131-R133 PolarHBondContact O-N 3.45Å; R133-F149 CarbonylContact O-C 3.44Å; R133-F149 VanDerWaalsContact O-CA 3.29Å; R133-F149 WeakPolarHBondContact O-CA 3.34Å; R133-T150 PolarHBondContact O-N 3.49Å; R133-T150 PolarHBondContact O-OG1 3.09Å |
| 134 | A | 95.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V107 W109 S129 E148 F149 L280 | V107-A134 HydrophobicContact CG2-CB 4.39Å; W109-A134 HydrophobicContact CH2-CB 3.68Å; W109-A134 HydrophobicContact CZ2-CB 4Å; S129-A134 PolarHBondContact N-O 2.63Å; S129-A134 PolarHBondContact OG-N 3.48Å; A134-E148 CarbonylContact C-O 3.4Å; A134-E148 VanDerWaalsContact CA-O 3.26Å; A134-E148 WeakPolarHBondContact CA-O 3.42Å; A134-F149 HydrophobicContact CB-CB 3.96Å; A134-L280 HydrophobicContact CB-CD1 4.44Å; A134-L280 HydrophobicContact CB-CD2 3.77Å |
| 135 | M | 96.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 27.7 Ų | 27.7 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 129.3 | 179.1 | 178.5 | 179.6 | 66.6 | 0 | 0 | 108.7 | V126 V127 R128 V147 E148 | V126-M135 HydrophobicContact CG1-CG 3.54Å; V126-M135 HydrophobicContact CG1-SD 3.61Å; V127-M135 CarbonylContact O-C 3.53Å; V127-M135 VanDerWaalsContact O-CA 3.31Å; V127-M135 WeakPolarHBondContact O-CA 3.29Å; R128-M135 HydrophobicContact CG-CG 4.28Å; R128-M135 PolarHBondContact NH1-SD 2.95Å; M135-V147 CarbonylContact O-C 3.58Å; M135-V147 VanDerWaalsContact O-CA 3.25Å; M135-V147 WeakPolarHBondContact O-CA 3.33Å; M135-E148 HydrophobicContact CE-CB 4.02Å; M135-E148 HydrophobicContact CE-CG 4.02Å; M135-E148 WeakPolarHBondContact CE-OE2 3.43Å; M135-E148 PolarHBondContact N-O 2.7Å; M135-E148 PolarHBondContact O-N 3.43Å |
| 136 | L | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.3 | 168.7 | -177.6 | 147.7 | 0 | 0 | 0 | 108.8 | V126 V127 L138 F145 V147 W230 P233 L234 A237 | V126-L136 CarbonylContact C-O 3.58Å; V126-L136 WeakPolarHBondContact CA-O 3.46Å; V127-L136 HydrophobicContact CB-CB 4.44Å; V127-L136 PolarHBondContact N-O 2.96Å; V127-L136 PolarHBondContact O-N 3.38Å; L136-L138 HydrophobicContact CD2-CB 4.42Å; L136-F145 HydrophobicContact CD1-CD2 3.6Å; L136-F145 HydrophobicContact CD1-CE2 3.79Å; L136-F145 HydrophobicContact CD1-CG 4.44Å; L136-F145 HydrophobicContact CG-CD2 3.87Å; L136-V147 HydrophobicContact CB-CG1 4.25Å; L136-V147 HydrophobicContact CD1-CG1 4.17Å; L136-V147 HydrophobicContact CG-CG1 4.17Å; L136-W230 HydrophobicContact CD1-CB 4.37Å; L136-P233 HydrophobicContact CB-CB 4.29Å; L136-P233 HydrophobicContact CD1-CB 4.05Å; L136-P233 HydrophobicContact CD1-CG 4.04Å; L136-L234 HydrophobicContact CD1-CB 4Å; L136-L234 HydrophobicContact CD2-CD1 4.43Å; L136-A237 HydrophobicContact CD2-CB 3.87Å |
| 137 | T | 96 | Very high | 93.8 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 21% | 0.209 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 109.9 | 176.1 | -57 | 0 | 0 | 0 | 0 | 109 | D124 I125 V126 F145 G146 | D124-T137 HydrophobicContact CB-CG2 3.68Å; I125-T137 CarbonylContact O-C 3.51Å; I125-T137 WeakPolarHBondContact O-CA 3.4Å; V126-T137 HydrophobicContact CG2-CG2 4.14Å; T137-F145 CarbonylContact O-C 3.56Å; T137-F145 VanDerWaalsContact O-CA 3.26Å; T137-F145 WeakPolarHBondContact O-CA 3.3Å; T137-F145 WeakPolarHBondContact O-CB 3.5Å; T137-G146 PolarHBondContact N-O 3.35Å; T137-G146 PolarHBondContact O-N 3.04Å |
| 138 | L | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.9 | 174.8 | 179.4 | 63.5 | 0 | 0 | 0 | 109.6 | D124 I125 L136 F145 L234 A237 R238 W241 | D124-L138 VanDerWaalsContact CA-O 3.25Å; D124-L138 WeakPolarHBondContact CA-O 3.31Å; D124-L138 WeakPolarHBondContact CB-O 3.49Å; I125-L138 HydrophobicContact CB-CB 4.38Å; I125-L138 PolarHBondContact N-O 3.49Å; I125-L138 PolarHBondContact O-N 3.47Å; L136-L138 HydrophobicContact CD2-CB 4.42Å; L138-F145 HydrophobicContact CD1-CB 4.24Å; L138-L234 HydrophobicContact CD1-CD1 3.97Å; L138-A237 HydrophobicContact CB-CB 3.86Å; L138-A237 HydrophobicContact CD2-CB 3.9Å; L138-R238 HydrophobicContact CD2-CG 4.18Å; L138-W241 HydrophobicContact CD2-CB 3.78Å; L138-W241 HydrophobicContact CD2-CG 4.08Å |
| 139 | S | 92.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | trans | -62.8 | 158.9 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | S141 G142 E144 | S139-S141 PolarHBondContact O-N 3.3Å; S139-S141 PolarHBondContact OG-OG 3.21Å; S139-G142 PolarHBondContact O-N 3.24Å; S139-E144 WeakPolarHBondContact CB-O 3.49Å; S139-E144 PolarHBondContact N-O 2.8Å; S139-E144 WeakPolarHBondContact OG-CG 3.35Å; S139-E144 PolarHBondContact OG-N 2.94Å; S139-E144 PolarHBondContact OG-O 3.34Å | ||
| 140 | P | 87.7 | Confident | 93.9 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -24.4 | -175.7 | -14.9 | 31.8 | 0 | 0 | 0 | 112.3 | G122 D124 G142 W241 P360 | G122-P140 WeakPolarHBondContact O-CG 3.28Å; D124-P140 WeakPolarHBondContact OD1-CD 3.44Å; D124-P140 WeakPolarHBondContact OD1-CG 3.47Å; P140-G142 VanDerWaalsContact C-N 3.26Å; P140-W241 PolarHBondContact O-NE1 3.48Å; P140-P360 HydrophobicContact CB-CB 3.88Å; P140-P360 HydrophobicContact CG-CB 4.5Å |
| 141 | S | 88.8 | Confident | 93.9 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19 | 172.3 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | S139 E143 W241 G342 | S139-S141 PolarHBondContact O-N 3.3Å; S139-S141 PolarHBondContact OG-OG 3.21Å; S141-E143 PolarHBondContact O-N 3.38Å; S141-W241 WeakPolarHBondContact O-CZ2 3.49Å; S141-G342 VanDerWaalsContact CB-O 3.27Å; S141-G342 WeakPolarHBondContact CB-O 3.09Å; S141-G342 PolarHBondContact OG-O 2.87Å |
| 142 | G | 91.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 78.1 | 2.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S139 P140 C223 | S139-G142 PolarHBondContact O-N 3.24Å; P140-G142 VanDerWaalsContact C-N 3.26Å; G142-C223 PolarHBondContact O-SG 3.4Å; G142-C223 VanDerWaalsContact O-SG 3.38Å |
| 143 | E | 93.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 19 Ų | 19 | 14% | 0.14 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -100.4 | -21.7 | -170.4 | -66.5 | -55.2 | 131.5 | 0 | 0 | 114.4 | S141 C223 V344 R346 H358 | S141-E143 PolarHBondContact O-N 3.38Å; E143-C223 VanDerWaalsContact C-SG 3.55Å; E143-C223 WeakPolarHBondContact O-CB 3.46Å; E143-C223 PolarHBondContact O-N 3.29Å; E143-V344 HydrophobicContact CB-CB 3.75Å; E143-V344 HydrophobicContact CB-CG1 4.12Å; E143-V344 HydrophobicContact CB-CG2 3.76Å; E143-V344 HydrophobicContact CG-CB 4.33Å; E143-R346 IonicContact OE2-CZ 2.8Å; E143-R346 IonicContact OE2-NH1 3.83Å; E143-R346 PolarHBondContact OE2-NH1 3.22Å; E143-R346 IonicContact OE2-NH2 2.89Å; E143-R346 PolarHBondContact OE2-NH2 3.42Å; E143-H358 HydrophobicContact CG-CB 3.44Å; E143-H358 VanDerWaalsContact CG-CB 3.44Å; E143-H358 VanDerWaalsContact CG-CG 3.48Å; E143-H358 IonicContact OE1-ND1 3.3Å |
| 144 | E | 94.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 17.4 Ų | 17.4 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 156.2 | 176.4 | 62.8 | -178.3 | -160.2 | 0 | 0 | 111.7 | S139 H220 S338 V344 | S139-E144 WeakPolarHBondContact CB-O 3.49Å; S139-E144 PolarHBondContact N-O 2.8Å; S139-E144 WeakPolarHBondContact OG-CG 3.35Å; S139-E144 PolarHBondContact OG-N 2.94Å; S139-E144 PolarHBondContact OG-O 3.34Å; E144-H220 IonicContact OE1-NE2 2.9Å; E144-H220 IonicContact OE2-CE1 2.77Å; E144-H220 PolarHBondContact OE2-CE1 2.81Å; E144-H220 IonicContact OE2-NE2 3.37Å; E144-H220 PolarHBondContact OE2-NE2 3.37Å; E144-S338 WeakPolarHBondContact OE2-CB 3.44Å; E144-S338 PolarHBondContact OE2-OG 3.44Å; E144-V344 HydrophobicContact CB-CG2 4.2Å; E144-V344 HydrophobicContact CG-CG2 3.79Å |
| 145 | F | 95.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.5 | 175.8 | 70.3 | -82.2 | 0 | 0 | 0 | 111.5 | L136 T137 L138 V147 H221 S222 V226 W230 L234 | L136-F145 HydrophobicContact CD1-CD2 3.6Å; L136-F145 HydrophobicContact CD1-CE2 3.79Å; L136-F145 HydrophobicContact CD1-CG 4.44Å; L136-F145 HydrophobicContact CG-CD2 3.87Å; T137-F145 CarbonylContact O-C 3.56Å; T137-F145 VanDerWaalsContact O-CA 3.26Å; T137-F145 WeakPolarHBondContact O-CA 3.3Å; T137-F145 WeakPolarHBondContact O-CB 3.5Å; L138-F145 HydrophobicContact CD1-CB 4.24Å; F145-V147 HydrophobicContact CD2-CG1 3.81Å; F145-V147 HydrophobicContact CE2-CG1 3.75Å; F145-H221 HydrophobicContact CD1-CB 3.87Å; F145-H221 HydrophobicContact CD2-CB 4.13Å; F145-H221 HydrophobicContact CE1-CB 3.39Å; F145-H221 HydrophobicContact CE2-CB 3.67Å; F145-H221 AromaticContact CE2-CD2 3.91Å; F145-H221 AromaticContact CE2-CG 3.9Å; F145-H221 HydrophobicContact CG-CB 4.23Å; F145-H221 HydrophobicContact CZ-CB 3.29Å; F145-H221 AromaticContact CZ-CG 3.8Å; F145-H221 PolarHBondContact N-O 2.87Å; F145-H221 PolarHBondContact O-N 2.98Å; F145-S222 WeakPolarHBondContact CE1-O 3.22Å; F145-V226 HydrophobicContact CZ-CG1 4.37Å; F145-W230 HydrophobicContact CE2-CB 3.83Å; F145-W230 HydrophobicContact CE2-CG 4.1Å; F145-W230 HydrophobicContact CZ-CB 4.02Å; F145-W230 HydrophobicContact CZ-CG 4.49Å; F145-L234 HydrophobicContact CB-CD1 4.34Å; F145-L234 HydrophobicContact CD1-CD1 3.96Å; F145-L234 HydrophobicContact CD1-CD2 4.11Å; F145-L234 HydrophobicContact CE1-CD1 4.39Å; F145-L234 HydrophobicContact CE1-CD2 3.77Å; F145-L234 HydrophobicContact CG-CD1 4.11Å; F145-L234 HydrophobicContact CZ-CD2 4.28Å |
| 146 | G | 96.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 20.4 Ų | 20.4 | 25% | 0.247 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T137 Q219 | T137-G146 PolarHBondContact N-O 3.35Å; T137-G146 PolarHBondContact O-N 3.04Å; G146-Q219 WeakPolarHBondContact CA-O 3.44Å |
| 147 | V | 97.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.8 | 167.6 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | M135 L136 F145 F149 A218 Q219 W230 | M135-V147 CarbonylContact O-C 3.58Å; M135-V147 VanDerWaalsContact O-CA 3.25Å; M135-V147 WeakPolarHBondContact O-CA 3.33Å; L136-V147 HydrophobicContact CB-CG1 4.25Å; L136-V147 HydrophobicContact CD1-CG1 4.17Å; L136-V147 HydrophobicContact CG-CG1 4.17Å; F145-V147 HydrophobicContact CD2-CG1 3.81Å; F145-V147 HydrophobicContact CE2-CG1 3.75Å; V147-F149 HydrophobicContact CG2-CD1 4.25Å; V147-F149 HydrophobicContact CG2-CE1 4.35Å; V147-A218 CarbonylContact O-C 3.52Å; V147-A218 VanDerWaalsContact O-CA 3.29Å; V147-A218 WeakPolarHBondContact O-CA 3.45Å; V147-Q219 HydrophobicContact CG2-CB 3.71Å; V147-Q219 PolarHBondContact N-O 3.01Å; V147-Q219 PolarHBondContact O-N 3.16Å; V147-W230 HydrophobicContact CB-CD2 4.45Å; V147-W230 HydrophobicContact CB-CE3 4.44Å; V147-W230 HydrophobicContact CB-CH2 4.16Å; V147-W230 HydrophobicContact CB-CZ2 4.17Å; V147-W230 HydrophobicContact CB-CZ3 4.29Å; V147-W230 HydrophobicContact CG1-CD2 3.81Å; V147-W230 HydrophobicContact CG1-CE3 3.91Å; V147-W230 HydrophobicContact CG1-CG 4.2Å; V147-W230 HydrophobicContact CG1-CH2 4.49Å; V147-W230 HydrophobicContact CG1-CZ2 4.42Å; V147-W230 HydrophobicContact CG1-CZ3 4.24Å; V147-W230 HydrophobicContact CG2-CD2 4.44Å; V147-W230 HydrophobicContact CG2-CH2 4.1Å; V147-W230 HydrophobicContact CG2-CZ2 3.66Å |
| 148 | E | 97.3 | Very high | 89.8 | Confident | 91 Ų | 91 | 30.6 Ų | 30.6 | 43% | 0.425 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.2 | 170.8 | -67.6 | -175.4 | -164.8 | 0 | 0 | 108.8 | A134 M135 T216 V217 A218 | A134-E148 CarbonylContact C-O 3.4Å; A134-E148 VanDerWaalsContact CA-O 3.26Å; A134-E148 WeakPolarHBondContact CA-O 3.42Å; M135-E148 HydrophobicContact CE-CB 4.02Å; M135-E148 HydrophobicContact CE-CG 4.02Å; M135-E148 WeakPolarHBondContact CE-OE2 3.43Å; M135-E148 PolarHBondContact N-O 2.7Å; M135-E148 PolarHBondContact O-N 3.43Å; E148-T216 HydrophobicContact CB-CG2 4.2Å; E148-V217 CarbonylContact C-O 3.57Å; E148-V217 VanDerWaalsContact CA-O 3.26Å; E148-V217 WeakPolarHBondContact CA-O 3.48Å; E148-A218 HydrophobicContact CG-CB 4.1Å |
| 149 | F | 95.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153.9 | -179.1 | 62 | -86 | 0 | 0 | 0 | 112.7 | R133 A134 V147 C151 T216 V217 Q219 W230 L280 P281 | R133-F149 CarbonylContact O-C 3.44Å; R133-F149 VanDerWaalsContact O-CA 3.29Å; R133-F149 WeakPolarHBondContact O-CA 3.34Å; A134-F149 HydrophobicContact CB-CB 3.96Å; V147-F149 HydrophobicContact CG2-CD1 4.25Å; V147-F149 HydrophobicContact CG2-CE1 4.35Å; F149-C151 HydrophobicContact CD2-CB 4.11Å; F149-C151 HydrophobicContact CE2-CB 3.85Å; F149-T216 WeakPolarHBondContact O-CA 3.47Å; F149-V217 HydrophobicContact CD2-CB 4.49Å; F149-V217 HydrophobicContact CE1-CB 4.08Å; F149-V217 HydrophobicContact CE1-CG1 4.04Å; F149-V217 HydrophobicContact CE2-CB 4.02Å; F149-V217 HydrophobicContact CE2-CG1 4.43Å; F149-V217 HydrophobicContact CE2-CG2 4.38Å; F149-V217 HydrophobicContact CZ-CB 3.79Å; F149-V217 HydrophobicContact CZ-CG1 3.76Å; F149-V217 PolarHBondContact N-O 2.97Å; F149-V217 PolarHBondContact O-N 3.43Å; F149-Q219 HydrophobicContact CE1-CG 3.95Å; F149-Q219 VanDerWaalsContact CE1-OE1 3.3Å; F149-Q219 HydrophobicContact CZ-CG 4.44Å; F149-W230 HydrophobicContact CB-CH2 4.39Å; F149-W230 AromaticContact CD1-CH2 3.84Å; F149-W230 HydrophobicContact CD1-CH2 3.84Å; F149-W230 HydrophobicContact CD1-CZ2 4.05Å; F149-W230 HydrophobicContact CE1-CH2 4.43Å; F149-W230 HydrophobicContact CE1-CZ2 4.2Å; F149-W230 HydrophobicContact CG-CH2 4.23Å; F149-L280 HydrophobicContact CB-CD1 4.1Å; F149-L280 HydrophobicContact CB-CD2 3.92Å; F149-L280 HydrophobicContact CD2-CB 4.29Å; F149-L280 HydrophobicContact CG-CD2 4.32Å; F149-P281 HydrophobicContact CE1-CG 4.26Å; F149-P281 HydrophobicContact CE2-CB 4Å; F149-P281 HydrophobicContact CE2-CG 4.15Å; F149-P281 WeakPolarHBondContact CE2-O 3.39Å; F149-P281 HydrophobicContact CZ-CB 3.83Å; F149-P281 HydrophobicContact CZ-CG 3.76Å |
| 150 | T | 94.4 | Very high | 85.7 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 20% | 0.202 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 123.5 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | F100 R133 A214 | F100-T150 HydrophobicContact CD2-CG2 4.42Å; F100-T150 HydrophobicContact CE2-CG2 4.32Å; R133-T150 PolarHBondContact O-N 3.49Å; R133-T150 PolarHBondContact O-OG1 3.09Å; T150-A214 HydrophobicContact CG2-CB 3.7Å |
| 151 | C | 94.1 | Very high | 83.5 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.8 | -178.4 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | L87 F149 A214 T215 V217 P281 A283 | L87-C151 HydrophobicContact CD1-CB 3.85Å; F149-C151 HydrophobicContact CD2-CB 4.11Å; F149-C151 HydrophobicContact CE2-CB 3.85Å; C151-A214 CarbonylContact O-C 3.45Å; C151-A214 WeakPolarHBondContact O-CA 3.41Å; C151-A214 WeakPolarHBondContact O-CB 3.33Å; C151-T215 PolarHBondContact N-O 3.4Å; C151-T215 PolarHBondContact O-N 3.21Å; C151-V217 HydrophobicContact CB-CG2 3.59Å; C151-P281 PolarHBondContact SG-O 3.4Å; C151-A283 PolarHBondContact SG-N 3.1Å; C151-A283 VanDerWaalsContact SG-N 3.42Å |
| 152 | N | 93.4 | Very high | 80.7 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 145.2 | 173 | -75.9 | -37.2 | 0 | 0 | 0 | 111.1 | F100 A283 | F100-N152 WeakPolarHBondContact CD1-OD1 3.35Å; N152-A283 WeakPolarHBondContact O-CB 3.33Å |
| 153 | L | 93.8 | Very high | 78.2 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 154.3 | 174.3 | -61.5 | -172.3 | 0 | 0 | 0 | 111.3 | L87 I92 R97 Q155 Q213 T215 | L87-L153 HydrophobicContact CB-CD2 4.24Å; I92-L153 HydrophobicContact CB-CD2 4.47Å; I92-L153 HydrophobicContact CG1-CD2 3.83Å; R97-L153 HydrophobicContact CG-CD1 4.5Å; L153-Q155 PolarHBondContact O-N 3.45Å; L153-Q213 HydrophobicContact CD1-CB 3.62Å; L153-Q213 HydrophobicContact CG-CB 4Å; L153-Q213 WeakPolarHBondContact CG-O 3.34Å; L153-Q213 PolarHBondContact N-O 3.25Å; L153-T215 HydrophobicContact CD2-CG2 3.86Å |
| 154 | S | 92.8 | Very high | 75.6 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 128.9 | 173.5 | -72 | 0 | 0 | 0 | 0 | 110.4 | L87 L284 L286 | L87-S154 PolarHBondContact N-OG 3.27Å; L87-S154 WeakPolarHBondContact O-CB 3.43Å; L87-S154 PolarHBondContact O-N 3.45Å; S154-L284 WeakPolarHBondContact CB-O 3.48Å; S154-L284 PolarHBondContact OG-O 3.32Å; S154-L286 WeakPolarHBondContact O-CD1 3.24Å; S154-L286 VanDerWaalsContact O-CG 3.26Å; S154-L286 WeakPolarHBondContact O-CG 3.2Å |
| 155 | Q | 87.3 | Confident | 72.5 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -115.4 | 161.6 | -178.6 | -73 | 176.6 | 20.3 | 0 | 0 | 112.6 | L153 P285 L286 | L153-Q155 PolarHBondContact O-N 3.45Å; Q155-P285 WeakPolarHBondContact O-CA 3.4Å; Q155-L286 PolarHBondContact O-N 3.29Å | ||
| 156 | P | 83.6 | Confident | 69.6 | Low | 51 Ų | 51 | 64.2 Ų | 64.2 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | trans | -64.5 | 143 | 167.2 | -15.8 | 30.3 | 0 | 0 | 0 | 111.3 | H158 Q159 L286 | P156-H158 PolarHBondContact O-N 3.08Å; P156-H158 VanDerWaalsContact O-N 3.08Å; P156-Q159 PolarHBondContact O-N 3.37Å; P156-L286 HydrophobicContact CG-CD1 4.29Å | ||
| 157 | Q | 65.4 | Low | 66.5 | Low | 84 Ų | 84 | 69 Ų | 69 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.3 | -28.5 | -172.8 | -162.1 | 162.6 | 9.8 | 0 | 0 | 114.5 | Q159 T160 V161 | Q157-Q159 VanDerWaalsContact C-N 3.28Å; Q157-Q159 PolarHBondContact O-N 3.44Å; Q157-T160 WeakPolarHBondContact O-CB 3.42Å; Q157-T160 PolarHBondContact O-N 3.33Å; Q157-V161 PolarHBondContact O-N 3.33Å |
| 158 | H | 55.8 | Low | 63.4 | Low | 164 Ų | 164 | 77.5 Ų | 77.5 | 76% | 0.759 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68 | -22.3 | 178.4 | -66.5 | -72.8 | 0 | 0 | 0 | 114.2 | P156 | P156-H158 PolarHBondContact O-N 3.08Å; P156-H158 VanDerWaalsContact O-N 3.08Å |
| 159 | Q | 52.9 | Low | 60.2 | Low | 85 Ų | 85 | 76.4 Ų | 76.4 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -85.1 | -21.6 | 175.1 | -71.4 | 178.3 | -14.1 | 0 | 0 | 112.3 | P156 Q157 S163 | P156-Q159 PolarHBondContact O-N 3.37Å; Q157-Q159 VanDerWaalsContact C-N 3.28Å; Q157-Q159 PolarHBondContact O-N 3.44Å; Q159-S163 PolarHBondContact O-OG 2.93Å |
| 160 | T | 48.9 | Very low | 57.4 | Low | 61 Ų | 61 | 81.5 Ų | 81.5 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73 | -41.1 | 176.2 | -38.5 | 0 | 0 | 0 | 0 | 111.3 | Q157 S163 | Q157-T160 WeakPolarHBondContact O-CB 3.42Å; Q157-T160 PolarHBondContact O-N 3.33Å; T160-S163 PolarHBondContact O-N 3.45Å |
| 161 | V | 40.1 | Very low | 54.3 | Low | 89 Ų | 89 | 88 Ų | 88 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.4 | -36.3 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | Q157 S163 | Q157-V161 PolarHBondContact O-N 3.33Å; V161-S163 PolarHBondContact O-N 3.4Å |
| 162 | C | 30.8 | Very low | 51.3 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 66% | 0.655 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.6 | -16.8 | 176.2 | -72.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 163 | S | 39.2 | Very low | 48.2 | Very low | 41 Ų | 41 | 100.4 Ų | 100.4 | 29% | 0.287 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -95.8 | -21.7 | -173.8 | -58.4 | 0 | 0 | 0 | 0 | 113.9 | Q159 T160 V161 | Q159-S163 PolarHBondContact O-OG 2.93Å; T160-S163 PolarHBondContact O-N 3.45Å; V161-S163 PolarHBondContact O-N 3.4Å |
| 164 | L | 38.2 | Very low | 45 | Very low | 132 Ų | 132 | 109.7 Ų | 109.7 | 69% | 0.691 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -81.2 | -18.7 | 175.3 | -93.6 | 114.4 | 0 | 0 | 0 | 113.7 | ||
| 165 | N | 30.1 | Very low | 42 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 18.8 | -173.3 | -68.5 | -17.3 | 0 | 0 | 0 | 114.4 | T167 | N165-T167 VanDerWaalsContact C-N 3.25Å; N165-T167 PolarHBondContact O-N 3.19Å |
| 166 | K | 33.5 | Very low | 39.2 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | trans | -91.8 | 58 | 169.2 | -73.9 | -172.8 | 178.4 | -179.8 | 0 | 110.9 | ||||
| 167 | T | 31.7 | Very low | 36.4 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -127.7 | 130.5 | 156.5 | 39.6 | 0 | 0 | 0 | 0 | 108 | N165 | N165-T167 VanDerWaalsContact C-N 3.25Å; N165-T167 PolarHBondContact O-N 3.19Å |
| 168 | D | 33.3 | Very low | 34.4 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 97% | 0.968 | 70% | 0.697 | S | S | * | * | trans | -44.9 | 140 | -166.1 | -116.7 | -29.3 | 0 | 0 | 0 | 116.1 | ||||
| 169 | G | 28.3 | Very low | 33.2 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | trans | 160.3 | 75.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L171 | G169-L171 PolarHBondContact O-N 2.89Å; G169-L171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | S | 37.3 | Very low | 32.2 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -45.6 | 110.6 | 169.6 | 158.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 171 | L | 29.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | trans | -134.4 | 105.3 | 153.7 | -85.2 | 164 | 0 | 0 | 0 | 109.8 | G169 S173 | G169-L171 PolarHBondContact O-N 2.89Å; G169-L171 VanDerWaalsContact O-N 3.09Å; L171-S173 PolarHBondContact O-N 3.35Å; L171-S173 VanDerWaalsContact O-N 3.13Å | ||
| 172 | K | 30.7 | Very low | 30.7 | Very low | 199 Ų | 199 | 137.1 Ų | 137.1 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -59.8 | 108 | 171.2 | -67.4 | 175.1 | 177.3 | 176.4 | 0 | 109.2 | ||||
| 173 | S | 28.3 | Very low | 30.7 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | -86.7 | 107.1 | 159.5 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | L171 H175 | L171-S173 PolarHBondContact O-N 3.35Å; L171-S173 VanDerWaalsContact O-N 3.13Å; S173-H175 PolarHBondContact O-N 3Å | ||
| 174 | R | 27.2 | Very low | 30.2 | Very low | 211 Ų | 211 | 148 Ų | 148 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -74.5 | 101.3 | 173.8 | -179.8 | -178.7 | -177.1 | 178.5 | 0.4 | 108.2 | Q176 | R174-Q176 PolarHBondContact O-N 3.37Å; R174-Q176 VanDerWaalsContact O-N 3.17Å | ||
| 175 | H | 29.9 | Very low | 29.8 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -74.8 | 102.3 | 164.3 | -74.8 | -65.1 | 0 | 0 | 0 | 109.1 | S173 A177 | S173-H175 PolarHBondContact O-N 3Å; H175-A177 PolarHBondContact O-N 3.36Å | ||
| 176 | Q | 27.9 | Very low | 29.7 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | trans | -68.9 | 109.3 | 159.9 | -100.7 | 172.6 | -7.7 | 0 | 0 | 108 | R174 | R174-Q176 PolarHBondContact O-N 3.37Å; R174-Q176 VanDerWaalsContact O-N 3.17Å | ||
| 177 | A | 24.7 | Very low | 29.3 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -74.4 | 116.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | H175 | H175-A177 PolarHBondContact O-N 3.36Š| ||
| 178 | N | 25.3 | Very low | 29.3 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -96.2 | 110.2 | 162.8 | -107.8 | 3.2 | 0 | 0 | 0 | 108.1 | ||||
| 179 | S | 29.4 | Very low | 29 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 137.8 | 168.6 | -37.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 180 | Q | 31 | Very low | 28.9 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -170.7 | 103.3 | 139.5 | -102.4 | 169.9 | 23.7 | 0 | 0 | 106.8 | ||||
| 181 | N | 29.2 | Very low | 28.5 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | 100.6 | 115.6 | 72.6 | -137.3 | 22 | 0 | 0 | 0 | 109.5 | |||||
| 182 | D | 28.8 | Very low | 28.4 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | -164.6 | 132.8 | 122.4 | -102.6 | -17.3 | 0 | 0 | 0 | 112.4 | |||||
| 183 | Q | 31.4 | Very low | 28.3 | Very low | 150 Ų | 150 | 145 Ų | 145 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -84 | 159.5 | -173.7 | -66.4 | 170.8 | -0.3 | 0 | 0 | 112 | ||||
| 184 | R | 27.7 | Very low | 28.2 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | -178.8 | 123.7 | 114.4 | -94.4 | -173.2 | -83 | -160.3 | -0.8 | 112.9 | |||||
| 185 | H | 30 | Very low | 28.2 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 57.6 | 146.2 | 137.1 | -65.6 | -55.2 | 0 | 0 | 0 | 121 | ||||
| 186 | L | 28.3 | Very low | 28.1 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -174.9 | 149.6 | -4.2 | -125.3 | 151.4 | 0 | 0 | 0 | 107.3 | ||||
| 187 | G | 25.4 | Very low | 28.1 | Very low | 63 Ų | 63 | 141.8 Ų | 141.8 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | 132 | 94.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 188 | K | 31.5 | Very low | 28.3 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | 59.9 | 120.6 | 95.8 | -82.3 | -172.4 | 177.1 | -174.1 | 0 | 112.3 | |||||
| 189 | E | 26.4 | Very low | 28.5 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | cis | -163.8 | 139.4 | 43.7 | -100 | 155.4 | -169.7 | 0 | 0 | 108.7 | ||||
| 190 | S | 28.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 56.5 | 130.9 | 99.1 | -167.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 191 | A | 27.3 | Very low | 28.4 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | cis | -168.1 | 146.7 | -3.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 192 | N | 28.5 | Very low | 28.7 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | -178.3 | 108.4 | 124.4 | -98.7 | -8.9 | 0 | 0 | 0 | 110.9 | |||||
| 193 | T | 27 | Very low | 28.7 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -49.4 | 132 | 154 | 35.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 194 | N | 26.9 | Very low | 28.7 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -149.4 | 98.6 | 131.8 | -106 | -9.6 | 0 | 0 | 0 | 109.5 | ||||
| 195 | S | 27.3 | Very low | 28.8 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -81 | 117.3 | 164.8 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 196 | F | 27.2 | Very low | 28.9 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | trans | -135.1 | 102.8 | 150.4 | -82.5 | -77.1 | 0 | 0 | 0 | 108.5 | ||||
| 197 | S | 28.6 | Very low | 29 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -105.6 | 119.3 | 159.6 | 158.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 198 | S | 29.2 | Very low | 29.7 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | 179.5 | 142.9 | 115.4 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 199 | H | 28.3 | Very low | 30.6 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 100 | 105.3 | 156.5 | -55.9 | -62.5 | 0 | 0 | 0 | 119.2 | ||||
| 200 | L | 33.4 | Very low | 32.1 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -62.2 | 170.1 | 171.4 | -74.5 | 81.5 | 0 | 0 | 0 | 112.8 | ||||
| 201 | P | 26.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | -126 | 141.6 | 89 | 20.9 | -4.2 | 0 | 0 | 0 | 113.1 | T203 | P201-T203 PolarHBondContact O-N 3.28Š| |||
| 202 | S | 35.2 | Very low | 36.6 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | -30.7 | 101.7 | 167 | -31.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 203 | T | 28.1 | Very low | 39.5 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -103.3 | 116.2 | 155.8 | 36.8 | 0 | 0 | 0 | 0 | 106.4 | P201 Q205 | P201-T203 PolarHBondContact O-N 3.28Å; T203-Q205 PolarHBondContact O-N 3.3Å | ||
| 204 | T | 31.3 | Very low | 42.7 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 85% | 0.847 | 67% | 0.668 | S | S | * | * | trans | -47.4 | 98.2 | 171.5 | -19.7 | 0 | 0 | 0 | 0 | 108 | Q206 | T204-Q206 PolarHBondContact O-N 3.15Š| ||
| 205 | Q | 30.8 | Very low | 45.9 | Very low | 186 Ų | 186 | 116.8 Ų | 116.8 | 87% | 0.869 | 63% | 0.632 | S | S | * | * | trans | -67.8 | 91.2 | 167.3 | -80.5 | -172.1 | -8.6 | 0 | 0 | 106.3 | T203 Q207 | T203-Q205 PolarHBondContact O-N 3.3Å; Q205-Q207 PolarHBondContact O-N 2.88Å | ||
| 206 | Q | 31.4 | Very low | 49.1 | Very low | 174 Ų | 174 | 115.1 Ų | 115.1 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | trans | -54.7 | 120.1 | 154.7 | -74.2 | -179.8 | -19.5 | 0 | 0 | 105.7 | T204 | T204-Q206 PolarHBondContact O-N 3.15Š| ||
| 207 | Q | 31.3 | Very low | 52.5 | Low | 153 Ų | 153 | 106 Ų | 106 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | trans | -49.8 | 142.2 | 169.5 | -71.3 | -163.2 | -11 | 0 | 0 | 108.3 | Q205 E209 | Q205-Q207 PolarHBondContact O-N 2.88Å; Q207-E209 PolarHBondContact O-N 2.93Å | ||
| 208 | P | 38.4 | Very low | 55.7 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 80% | 0.799 | 56% | 0.561 | S | S | * | * | trans | -57.1 | 113.7 | 177.1 | 22.4 | -30.2 | 0 | 0 | 0 | 107.9 | Q210 | P208-Q210 PolarHBondContact O-N 3.22Š| ||
| 209 | E | 50.4 | Low | 59 | Low | 153 Ų | 153 | 99.3 Ų | 99.3 | 72% | 0.715 | 53% | 0.534 | S | S | * | . | trans | -52.3 | 117 | 171.4 | -76.3 | -174.4 | 167.7 | 0 | 0 | 107.1 | H101 Q207 M211 | H101-E209 IonicContact ND1-OE2 2.88Å; Q207-E209 PolarHBondContact O-N 2.93Å; E209-M211 PolarHBondContact O-N 3.37Å | ||
| 210 | Q | 59.2 | Low | 62.2 | Low | 107 Ų | 107 | 92.4 Ų | 92.4 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | trans | -69.3 | 101.3 | -176.4 | -169.4 | 165.8 | -9.2 | 0 | 0 | 108 | P208 Y212 | P208-Q210 PolarHBondContact O-N 3.22Å; Q210-Y212 HydrophobicContact CB-CE2 4.42Å; Q210-Y212 HydrophobicContact CG-CE1 4.22Å; Q210-Y212 HydrophobicContact CG-CE2 4.49Å; Q210-Y212 WeakPolarHBondContact O-CD2 3.25Å; Q210-Y212 WeakPolarHBondContact O-CE2 3.33Å; Q210-Y212 PolarHBondContact O-N 3.2Å | ||
| 211 | M | 69.3 | Low | 65.2 | Low | 124 Ų | 124 | 87 Ų | 87 | 61% | 0.611 | 47% | 0.473 | S | S | * | . | trans | -75.3 | 108.9 | -177.7 | -168 | 179.3 | -171.8 | 0 | 0 | 109.2 | P99 E209 | P99-M211 HydrophobicContact CB-CE 3.35Å; P99-M211 HydrophobicContact CB-CG 4.43Å; P99-M211 HydrophobicContact CG-CE 3.49Å; P99-M211 VanDerWaalsContact CG-CE 3.49Å; E209-M211 PolarHBondContact O-N 3.37Å | ||
| 212 | Y | 80.8 | Confident | 68.4 | Low | 22 Ų | 22 | 81.4 Ų | 81.4 | 9% | 0.086 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 160.7 | 173.5 | -61.4 | -72.6 | 0 | 0 | 0 | 110.5 | F100 I103 Q210 | F100-Y212 PolarHBondContact N-O 3.07Å; F100-Y212 WeakPolarHBondContact O-CA 3.46Å; F100-Y212 VanDerWaalsContact O-CB 3.3Å; F100-Y212 WeakPolarHBondContact O-CB 3.44Å; F100-Y212 PolarHBondContact O-N 2.9Å; I103-Y212 HydrophobicContact CD1-CE1 4.36Å; I103-Y212 HydrophobicContact CD1-CE2 3.69Å; I103-Y212 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y212 VanDerWaalsContact CD1-OH 3.23Å; I103-Y212 WeakPolarHBondContact CD1-OH 3.24Å; I103-Y212 HydrophobicContact CG1-CD2 3.91Å; I103-Y212 HydrophobicContact CG1-CE1 4.37Å; I103-Y212 HydrophobicContact CG1-CE2 3.34Å; Q210-Y212 HydrophobicContact CB-CE2 4.42Å; Q210-Y212 HydrophobicContact CG-CE1 4.22Å; Q210-Y212 HydrophobicContact CG-CE2 4.49Å; Q210-Y212 WeakPolarHBondContact O-CD2 3.25Å; Q210-Y212 WeakPolarHBondContact O-CE2 3.33Å; Q210-Y212 PolarHBondContact O-N 3.2Å |
| 213 | Q | 89.5 | Confident | 71.2 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.8 | 168.8 | -69 | -174.6 | -7.1 | 0 | 0 | 108.3 | R97 L153 | R97-Q213 VanDerWaalsContact NH1-OE1 3.17Å; L153-Q213 HydrophobicContact CD1-CB 3.62Å; L153-Q213 HydrophobicContact CG-CB 4Å; L153-Q213 WeakPolarHBondContact CG-O 3.34Å; L153-Q213 PolarHBondContact N-O 3.25Å |
| 214 | A | 92.4 | Very high | 74.1 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 163.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | R97 K98 F100 T150 C151 | R97-A214 WeakPolarHBondContact CA-O 3.47Å; K98-A214 PolarHBondContact N-O 2.87Å; K98-A214 PolarHBondContact O-N 2.61Å; F100-A214 HydrophobicContact CB-CB 3.74Å; F100-A214 HydrophobicContact CD1-CB 4.36Å; F100-A214 HydrophobicContact CG-CB 3.99Å; T150-A214 HydrophobicContact CG2-CB 3.7Å; C151-A214 CarbonylContact O-C 3.45Å; C151-A214 WeakPolarHBondContact O-CA 3.41Å; C151-A214 WeakPolarHBondContact O-CB 3.33Å |
| 215 | T | 95 | Very high | 76.8 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 164.9 | 174 | -161.6 | 0 | 0 | 0 | 0 | 110 | L87 I92 N96 C151 L153 | L87-T215 HydrophobicContact CD1-CG2 4.03Å; L87-T215 HydrophobicContact CD2-CG2 4.33Å; I92-T215 HydrophobicContact CD1-CG2 4.23Å; I92-T215 HydrophobicContact CG1-CG2 4.44Å; I92-T215 HydrophobicContact CG2-CG2 4.45Å; N96-T215 WeakPolarHBondContact O-CB 3.44Å; N96-T215 PolarHBondContact O-OG1 2.87Å; C151-T215 PolarHBondContact N-O 3.4Å; C151-T215 PolarHBondContact O-N 3.21Å; L153-T215 HydrophobicContact CD2-CG2 3.86Å |
| 216 | T | 95.6 | Very high | 79.6 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.7 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | E148 F149 | E148-T216 HydrophobicContact CB-CG2 4.2Å; F149-T216 WeakPolarHBondContact O-CA 3.47Å |
| 217 | V | 96.8 | Very high | 82.4 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.1 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | P85 L87 E148 F149 C151 Q219 | P85-V217 HydrophobicContact CB-CG1 4.13Å; P85-V217 HydrophobicContact CB-CG2 4.32Å; P85-V217 HydrophobicContact CG-CG1 4.38Å; P85-V217 HydrophobicContact CG-CG2 4.21Å; L87-V217 HydrophobicContact CD1-CG2 3.62Å; L87-V217 HydrophobicContact CD2-CG2 4.13Å; L87-V217 HydrophobicContact CG-CG2 4.48Å; E148-V217 CarbonylContact C-O 3.57Å; E148-V217 VanDerWaalsContact CA-O 3.26Å; E148-V217 WeakPolarHBondContact CA-O 3.48Å; F149-V217 HydrophobicContact CD2-CB 4.49Å; F149-V217 HydrophobicContact CE1-CB 4.08Å; F149-V217 HydrophobicContact CE1-CG1 4.04Å; F149-V217 HydrophobicContact CE2-CB 4.02Å; F149-V217 HydrophobicContact CE2-CG1 4.43Å; F149-V217 HydrophobicContact CE2-CG2 4.38Å; F149-V217 HydrophobicContact CZ-CB 3.79Å; F149-V217 HydrophobicContact CZ-CG1 3.76Å; F149-V217 PolarHBondContact N-O 2.97Å; F149-V217 PolarHBondContact O-N 3.43Å; C151-V217 HydrophobicContact CB-CG2 3.59Å; V217-Q219 HydrophobicContact CG1-CG 4.18Å |
| 218 | A | 96.9 | Very high | 85.2 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V147 E148 | V147-A218 CarbonylContact O-C 3.52Å; V147-A218 VanDerWaalsContact O-CA 3.29Å; V147-A218 WeakPolarHBondContact O-CA 3.45Å; E148-A218 HydrophobicContact CG-CB 4.1Å |
| 219 | Q | 97.3 | Very high | 87.8 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 157.2 | 174.2 | -66.7 | -179.9 | -41 | 0 | 0 | 110.7 | N79 K80 A82 G146 V147 F149 V217 H221 | N79-Q219 WeakPolarHBondContact O-CG 3.43Å; K80-Q219 VanDerWaalsContact O-CA 3.31Å; K80-Q219 WeakPolarHBondContact O-CA 3.43Å; A82-Q219 PolarHBondContact O-NE2 3.4Å; G146-Q219 WeakPolarHBondContact CA-O 3.44Å; V147-Q219 HydrophobicContact CG2-CB 3.71Å; V147-Q219 PolarHBondContact N-O 3.01Å; V147-Q219 PolarHBondContact O-N 3.16Å; F149-Q219 HydrophobicContact CE1-CG 3.95Å; F149-Q219 VanDerWaalsContact CE1-OE1 3.3Å; F149-Q219 HydrophobicContact CZ-CG 4.44Å; V217-Q219 HydrophobicContact CG1-CG 4.18Å; Q219-H221 VanDerWaalsContact CB-NE2 3.35Å; Q219-H221 WeakPolarHBondContact CB-NE2 3.26Å |
| 220 | H | 96 | Very high | 89.9 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.2 | -179.5 | -174.2 | -44.1 | 0 | 0 | 0 | 111 | K80 Y81 E144 R326 | K80-H220 HydrophobicContact CG-CB 4.08Å; K80-H220 PolarHBondContact O-N 3.07Å; Y81-H220 HydrophobicContact CD1-CB 4.44Å; Y81-H220 HydrophobicContact CE1-CB 3.97Å; E144-H220 IonicContact OE1-NE2 2.9Å; E144-H220 IonicContact OE2-CE1 2.77Å; E144-H220 PolarHBondContact OE2-CE1 2.81Å; E144-H220 IonicContact OE2-NE2 3.37Å; E144-H220 PolarHBondContact OE2-NE2 3.37Å; H220-R326 PolarHBondContact ND1-NH2 3.18Å; H220-R326 PolarHBondContact O-NH2 3.25Å |
| 221 | H | 95.8 | Very high | 91.6 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 165.6 | -171.8 | -61 | -86.8 | 0 | 0 | 0 | 111.5 | F145 Q219 W230 R326 | F145-H221 HydrophobicContact CD1-CB 3.87Å; F145-H221 HydrophobicContact CD2-CB 4.13Å; F145-H221 HydrophobicContact CE1-CB 3.39Å; F145-H221 HydrophobicContact CE2-CB 3.67Å; F145-H221 AromaticContact CE2-CD2 3.91Å; F145-H221 AromaticContact CE2-CG 3.9Å; F145-H221 HydrophobicContact CG-CB 4.23Å; F145-H221 HydrophobicContact CZ-CB 3.29Å; F145-H221 AromaticContact CZ-CG 3.8Å; F145-H221 PolarHBondContact N-O 2.87Å; F145-H221 PolarHBondContact O-N 2.98Å; Q219-H221 VanDerWaalsContact CB-NE2 3.35Å; Q219-H221 WeakPolarHBondContact CB-NE2 3.26Å; H221-W230 AromaticContact CE1-NE1 3.81Å; H221-W230 AromaticContact NE2-NE1 3.67Å; H221-R326 VanDerWaalsContact C-NH1 3.33Å; H221-R326 PolarHBondContact O-NH1 2.87Å |
| 222 | S | 94.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 141.7 | 169.8 | 175 | 0 | 0 | 0 | 0 | 108 | F145 F224 E336 | F145-S222 WeakPolarHBondContact CE1-O 3.22Å; S222-F224 PolarHBondContact O-N 2.97Å; S222-F224 WeakPolarHBondContact OG-CB 3.5Å; S222-F224 PolarHBondContact OG-N 2.9Å; S222-F224 VanDerWaalsContact OG-N 3.08Å; S222-E336 VanDerWaalsContact CB-OE1 3.26Å; S222-E336 WeakPolarHBondContact CB-OE1 3.26Å; S222-E336 PolarHBondContact OG-OE1 3.49Å; S222-E336 PolarHBondContact OG-OE2 3.42Å |
| 223 | C | 94.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.7 | 170.6 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | G142 E143 V226 | G142-C223 PolarHBondContact O-SG 3.4Å; G142-C223 VanDerWaalsContact O-SG 3.38Å; E143-C223 VanDerWaalsContact C-SG 3.55Å; E143-C223 WeakPolarHBondContact O-CB 3.46Å; E143-C223 PolarHBondContact O-N 3.29Å; C223-V226 VanDerWaalsContact O-CG2 3.27Å; C223-V226 WeakPolarHBondContact O-CG2 3.3Å |
| 224 | F | 88.1 | Confident | 93.7 | Very high | 139 Ų | 139 | 36.5 Ų | 36.5 | 61% | 0.61 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -17.9 | -179.2 | -154.4 | -97.8 | 0 | 0 | 0 | 113.5 | S222 L328 | S222-F224 PolarHBondContact O-N 2.97Å; S222-F224 WeakPolarHBondContact OG-CB 3.5Å; S222-F224 PolarHBondContact OG-N 2.9Å; S222-F224 VanDerWaalsContact OG-N 3.08Å; F224-L328 HydrophobicContact CB-CD1 3.87Å; F224-L328 HydrophobicContact CD1-CD1 3.88Å; F224-L328 HydrophobicContact CG-CD1 4.27Å |
| 225 | A | 88.2 | Confident | 93.8 | Very high | 56 Ų | 56 | 37.8 Ų | 37.8 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -136.7 | 77.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L328 | A225-L328 HydrophobicContact CB-CD2 3.97Å |
| 226 | V | 89.3 | Confident | 93.7 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 32% | 0.315 | 23% | 0.226 | S | C | . | . | trans | -86.2 | 128.3 | -170.9 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | F145 C223 A231 L234 | F145-V226 HydrophobicContact CZ-CG1 4.37Å; C223-V226 VanDerWaalsContact O-CG2 3.27Å; C223-V226 WeakPolarHBondContact O-CG2 3.3Å; V226-A231 HydrophobicContact CG1-CB 4.45Å; V226-L234 HydrophobicContact CB-CD2 4.27Å; V226-L234 HydrophobicContact CG1-CD2 3.75Å; V226-L234 HydrophobicContact CG2-CD2 3.43Å; V226-L234 VanDerWaalsContact CG2-CD2 3.43Å | ||
| 227 | D | 90 | Very high | 93.6 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | trans | -71.2 | 133.6 | 169.2 | -170.8 | -66.6 | 0 | 0 | 0 | 109.4 | T229 W230 A231 | D227-T229 PolarHBondContact O-N 2.73Å; D227-T229 VanDerWaalsContact OD1-CB 3.29Å; D227-T229 WeakPolarHBondContact OD1-CB 3.42Å; D227-T229 PolarHBondContact OD1-N 3.25Å; D227-T229 PolarHBondContact OD1-OG1 3.09Å; D227-W230 PolarHBondContact O-N 2.87Å; D227-A231 PolarHBondContact O-N 2.78Å | ||
| 228 | P | 90.9 | Very high | 93.4 | Very high | 110 Ų | 110 | 39.6 Ų | 39.6 | 71% | 0.714 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -51.3 | -31.7 | -179.4 | -29 | 35.8 | 0 | 0 | 0 | 114.5 | W230 A231 | P228-W230 PolarHBondContact O-N 3.21Å; P228-W230 VanDerWaalsContact O-N 3.13Å; P228-A231 WeakPolarHBondContact O-CB 3.17Å; P228-A231 PolarHBondContact O-N 3.2Å |
| 229 | T | 92.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -58.3 | -24.7 | 176.5 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | D227 S278 Q279 | D227-T229 PolarHBondContact O-N 2.73Å; D227-T229 VanDerWaalsContact OD1-CB 3.29Å; D227-T229 WeakPolarHBondContact OD1-CB 3.42Å; D227-T229 PolarHBondContact OD1-N 3.25Å; D227-T229 PolarHBondContact OD1-OG1 3.09Å; T229-S278 WeakPolarHBondContact O-CB 3.38Å; T229-S278 PolarHBondContact O-OG 3.17Å; T229-Q279 WeakPolarHBondContact CG2-O 3.38Å |
| 230 | W | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -113.1 | 4.3 | -177.9 | -48.8 | 120.4 | 0 | 0 | 0 | 113.3 | W109 L136 F145 V147 F149 H221 D227 P228 P233 L234 L280 P281 | W109-W230 HydrophobicContact CH2-CZ3 4.34Å; W109-W230 AromaticContact CZ2-CE3 3.97Å; W109-W230 HydrophobicContact CZ2-CE3 3.97Å; W109-W230 AromaticContact CZ2-CZ3 3.81Å; W109-W230 HydrophobicContact CZ2-CZ3 3.81Å; L136-W230 HydrophobicContact CD1-CB 4.37Å; F145-W230 HydrophobicContact CE2-CB 3.83Å; F145-W230 HydrophobicContact CE2-CG 4.1Å; F145-W230 HydrophobicContact CZ-CB 4.02Å; F145-W230 HydrophobicContact CZ-CG 4.49Å; V147-W230 HydrophobicContact CB-CD2 4.45Å; V147-W230 HydrophobicContact CB-CE3 4.44Å; V147-W230 HydrophobicContact CB-CH2 4.16Å; V147-W230 HydrophobicContact CB-CZ2 4.17Å; V147-W230 HydrophobicContact CB-CZ3 4.29Å; V147-W230 HydrophobicContact CG1-CD2 3.81Å; V147-W230 HydrophobicContact CG1-CE3 3.91Å; V147-W230 HydrophobicContact CG1-CG 4.2Å; V147-W230 HydrophobicContact CG1-CH2 4.49Å; V147-W230 HydrophobicContact CG1-CZ2 4.42Å; V147-W230 HydrophobicContact CG1-CZ3 4.24Å; V147-W230 HydrophobicContact CG2-CD2 4.44Å; V147-W230 HydrophobicContact CG2-CH2 4.1Å; V147-W230 HydrophobicContact CG2-CZ2 3.66Å; F149-W230 HydrophobicContact CB-CH2 4.39Å; F149-W230 AromaticContact CD1-CH2 3.84Å; F149-W230 HydrophobicContact CD1-CH2 3.84Å; F149-W230 HydrophobicContact CD1-CZ2 4.05Å; F149-W230 HydrophobicContact CE1-CH2 4.43Å; F149-W230 HydrophobicContact CE1-CZ2 4.2Å; F149-W230 HydrophobicContact CG-CH2 4.23Å; H221-W230 AromaticContact CE1-NE1 3.81Å; H221-W230 AromaticContact NE2-NE1 3.67Å; D227-W230 PolarHBondContact O-N 2.87Å; P228-W230 PolarHBondContact O-N 3.21Å; P228-W230 VanDerWaalsContact O-N 3.13Å; W230-P233 WeakPolarHBondContact O-CD 3.26Å; W230-P233 WeakPolarHBondContact O-CG 3.47Å; W230-L234 WeakPolarHBondContact O-CB 3.44Å; W230-L234 PolarHBondContact O-N 2.91Å; W230-L280 HydrophobicContact CH2-CD2 3.63Å; W230-L280 HydrophobicContact CZ3-CD2 3.92Å; W230-P281 HydrophobicContact CZ2-CG 4.13Å |
| 231 | A | 94.1 | Very high | 92.2 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -49 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V226 D227 P228 L234 S235 | V226-A231 HydrophobicContact CG1-CB 4.45Å; D227-A231 PolarHBondContact O-N 2.78Å; P228-A231 WeakPolarHBondContact O-CB 3.17Å; P228-A231 PolarHBondContact O-N 3.2Å; A231-L234 PolarHBondContact O-N 3.36Å; A231-S235 PolarHBondContact O-N 3.06Å |
| 232 | Y | 94.4 | Very high | 91.8 | Very high | 29 Ų | 29 | 44 Ų | 44 | 11% | 0.114 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -54.1 | 178.4 | -178.2 | -95 | 0 | 0 | 0 | 113.8 | W109 P110 L234 S235 L236 D275 R276 | W109-Y232 HydrophobicContact CB-CD1 3.58Å; W109-Y232 HydrophobicContact CB-CE1 3.62Å; W109-Y232 HydrophobicContact CG-CD1 4.1Å; P110-Y232 PolarHBondContact O-OH 3.19Å; Y232-L234 PolarHBondContact O-N 2.97Å; Y232-S235 PolarHBondContact O-N 3.38Å; Y232-S235 VanDerWaalsContact O-N 3.08Å; Y232-S235 PolarHBondContact O-OG 3.23Å; Y232-L236 HydrophobicContact CD1-CD1 4.06Å; Y232-L236 HydrophobicContact CE1-CD1 3.49Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.49Å; Y232-L236 HydrophobicContact CE1-CG 4.13Å; Y232-L236 PolarHBondContact O-N 3.29Å; Y232-D275 WeakPolarHBondContact CB-O 3.39Å; Y232-R276 HydrophobicContact CE1-CB 4.22Å; Y232-R276 HydrophobicContact CE1-CG 3.92Å; Y232-R276 HydrophobicContact CE2-CG 4.11Å |
| 233 | P | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.9 | -29.6 | 178.3 | 25.9 | -36.6 | 0 | 0 | 0 | 112.7 | W109 V127 L136 W230 A237 | W109-P233 HydrophobicContact CD2-CB 3.62Å; W109-P233 HydrophobicContact CD2-CG 3.95Å; W109-P233 HydrophobicContact CE3-CB 3.77Å; W109-P233 HydrophobicContact CE3-CG 4.49Å; W109-P233 HydrophobicContact CG-CB 4.12Å; W109-P233 HydrophobicContact CG-CG 4.35Å; W109-P233 HydrophobicContact CH2-CB 4.07Å; W109-P233 HydrophobicContact CH2-CG 4.24Å; W109-P233 HydrophobicContact CZ2-CB 3.94Å; W109-P233 HydrophobicContact CZ2-CG 3.69Å; W109-P233 HydrophobicContact CZ3-CB 3.98Å; V127-P233 HydrophobicContact CG1-CB 4.17Å; L136-P233 HydrophobicContact CB-CB 4.29Å; L136-P233 HydrophobicContact CD1-CB 4.05Å; L136-P233 HydrophobicContact CD1-CG 4.04Å; W230-P233 WeakPolarHBondContact O-CD 3.26Å; W230-P233 WeakPolarHBondContact O-CG 3.47Å; P233-A237 PolarHBondContact O-N 2.9Å |
| 234 | L | 95.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 174.4 | -178.5 | 62.8 | 0 | 0 | 0 | 111.8 | L136 L138 F145 V226 W230 A231 Y232 L236 A237 R238 | L136-L234 HydrophobicContact CD1-CB 4Å; L136-L234 HydrophobicContact CD2-CD1 4.43Å; L138-L234 HydrophobicContact CD1-CD1 3.97Å; F145-L234 HydrophobicContact CB-CD1 4.34Å; F145-L234 HydrophobicContact CD1-CD1 3.96Å; F145-L234 HydrophobicContact CD1-CD2 4.11Å; F145-L234 HydrophobicContact CE1-CD1 4.39Å; F145-L234 HydrophobicContact CE1-CD2 3.77Å; F145-L234 HydrophobicContact CG-CD1 4.11Å; F145-L234 HydrophobicContact CZ-CD2 4.28Å; V226-L234 HydrophobicContact CB-CD2 4.27Å; V226-L234 HydrophobicContact CG1-CD2 3.75Å; V226-L234 HydrophobicContact CG2-CD2 3.43Å; V226-L234 VanDerWaalsContact CG2-CD2 3.43Å; W230-L234 WeakPolarHBondContact O-CB 3.44Å; W230-L234 PolarHBondContact O-N 2.91Å; A231-L234 PolarHBondContact O-N 3.36Å; Y232-L234 PolarHBondContact O-N 2.97Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-A237 PolarHBondContact O-N 3.39Å; L234-R238 HydrophobicContact CD1-CG 4.1Å; L234-R238 HydrophobicContact CG-CG 4.18Å; L234-R238 WeakPolarHBondContact O-CB 3.01Å; L234-R238 VanDerWaalsContact O-CG 3.31Å; L234-R238 WeakPolarHBondContact O-CG 3.35Å; L234-R238 PolarHBondContact O-N 3.31Å |
| 235 | S | 93.4 | Very high | 89.6 | Confident | 28 Ų | 28 | 46 Ų | 46 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 178 | 74.7 | 0 | 0 | 0 | 0 | 111.6 | A231 Y232 R238 H239 | A231-S235 PolarHBondContact O-N 3.06Å; Y232-S235 PolarHBondContact O-N 3.38Å; Y232-S235 VanDerWaalsContact O-N 3.08Å; Y232-S235 PolarHBondContact O-OG 3.23Å; S235-R238 PolarHBondContact O-N 2.97Å; S235-H239 PolarHBondContact O-N 2.87Å |
| 236 | L | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.6 | -51.9 | 171 | -73.1 | 171.4 | 0 | 0 | 0 | 111.3 | P110 W112 Y115 V127 Y232 L234 R238 H239 H240 | P110-L236 HydrophobicContact CG-CD1 4.23Å; W112-L236 HydrophobicContact CB-CD2 4.3Å; W112-L236 HydrophobicContact CD2-CD2 4.16Å; W112-L236 HydrophobicContact CE3-CD2 3.41Å; W112-L236 VanDerWaalsContact CE3-CD2 3.41Å; W112-L236 HydrophobicContact CE3-CG 4.39Å; W112-L236 HydrophobicContact CZ3-CD2 4.13Å; Y115-L236 HydrophobicContact CD1-CB 4.25Å; Y115-L236 HydrophobicContact CD1-CD2 4.18Å; Y115-L236 HydrophobicContact CE1-CB 4.3Å; V127-L236 HydrophobicContact CG1-CD1 4.01Å; V127-L236 HydrophobicContact CG2-CB 4.15Å; Y232-L236 HydrophobicContact CD1-CD1 4.06Å; Y232-L236 HydrophobicContact CE1-CD1 3.49Å; Y232-L236 VanDerWaalsContact CE1-CD1 3.49Å; Y232-L236 HydrophobicContact CE1-CG 4.13Å; Y232-L236 PolarHBondContact O-N 3.29Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L236-R238 PolarHBondContact O-N 2.77Å; L236-H239 PolarHBondContact O-N 3.46Å; L236-H240 PolarHBondContact O-CD2 2.92Å; L236-H240 PolarHBondContact O-N 3.39Å |
| 237 | A | 94.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I125 V127 L136 L138 P233 L234 H239 H240 W241 | I125-A237 HydrophobicContact CG2-CB 4.15Å; V127-A237 HydrophobicContact CG2-CB 3.85Å; L136-A237 HydrophobicContact CD2-CB 3.87Å; L138-A237 HydrophobicContact CB-CB 3.86Å; L138-A237 HydrophobicContact CD2-CB 3.9Å; P233-A237 PolarHBondContact O-N 2.9Å; L234-A237 PolarHBondContact O-N 3.39Å; A237-H239 VanDerWaalsContact C-N 3.32Å; A237-H239 PolarHBondContact O-N 2.88Å; A237-H240 PolarHBondContact O-N 2.8Å; A237-W241 WeakPolarHBondContact O-CB 3.33Å; A237-W241 PolarHBondContact O-N 3.25Å |
| 238 | R | 91.9 | Very high | 85.4 | Confident | 120 Ų | 120 | 49.5 Ų | 49.5 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | -179.4 | -76.8 | -178.2 | 73.5 | 170.9 | 2.6 | 112.3 | L138 L234 S235 L236 W241 T242 | L138-R238 HydrophobicContact CD2-CG 4.18Å; L234-R238 HydrophobicContact CD1-CG 4.1Å; L234-R238 HydrophobicContact CG-CG 4.18Å; L234-R238 WeakPolarHBondContact O-CB 3.01Å; L234-R238 VanDerWaalsContact O-CG 3.31Å; L234-R238 WeakPolarHBondContact O-CG 3.35Å; L234-R238 PolarHBondContact O-N 3.31Å; S235-R238 PolarHBondContact O-N 2.97Å; L236-R238 PolarHBondContact O-N 2.77Å; R238-W241 WeakPolarHBondContact O-CB 3.45Å; R238-W241 PolarHBondContact O-N 2.99Å; R238-T242 WeakPolarHBondContact O-CG2 3.41Å; R238-T242 PolarHBondContact O-N 3.19Å; R238-T242 PolarHBondContact O-OG1 2.92Å; R238-T242 VanDerWaalsContact O-OG1 3.14Å |
| 239 | H | 89.8 | Confident | 83.3 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 177.9 | 178.5 | 68.8 | 0 | 0 | 0 | 113.3 | W112 S235 L236 A237 W241 T242 S243 | W112-H239 AromaticContact CE2-CD2 3.92Å; W112-H239 HydrophobicContact CH2-CB 3.17Å; W112-H239 AromaticContact CH2-CD2 3.5Å; W112-H239 AromaticContact CH2-CG 3.04Å; W112-H239 AromaticContact CH2-ND1 3.43Å; W112-H239 WeakPolarHBondContact CH2-ND1 3.33Å; W112-H239 HydrophobicContact CZ2-CB 3.87Å; W112-H239 AromaticContact CZ2-CD2 3.18Å; W112-H239 WeakPolarHBondContact CZ2-CD2 3.47Å; W112-H239 AromaticContact CZ2-CE1 3.48Å; W112-H239 VanDerWaalsContact CZ2-CE1 3.48Å; W112-H239 WeakPolarHBondContact CZ2-CE1 3.33Å; W112-H239 AromaticContact CZ2-CG 3.18Å; W112-H239 AromaticContact CZ2-ND1 3.37Å; W112-H239 WeakPolarHBondContact CZ2-ND1 3.5Å; W112-H239 AromaticContact CZ2-NE2 3.39Å; W112-H239 WeakPolarHBondContact CZ2-NE2 3.45Å; W112-H239 HydrophobicContact CZ3-CB 3.76Å; S235-H239 PolarHBondContact O-N 2.87Å; L236-H239 PolarHBondContact O-N 3.46Å; A237-H239 VanDerWaalsContact C-N 3.32Å; A237-H239 PolarHBondContact O-N 2.88Å; H239-W241 VanDerWaalsContact C-N 3.31Å; H239-T242 PolarHBondContact O-OG1 2.64Å; H239-S243 VanDerWaalsContact O-CB 3.32Å; H239-S243 WeakPolarHBondContact O-CB 3.34Å; H239-S243 PolarHBondContact O-N 3.38Å; H239-S243 PolarHBondContact O-OG 3.07Å |
| 240 | H | 87.7 | Confident | 80.7 | Confident | 44 Ų | 44 | 57 Ų | 57 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70 | -34.4 | 175.3 | -75.7 | -74.7 | 0 | 0 | 0 | 111.7 | Y115 P117 I125 L236 A237 R244 | Y115-H240 AromaticContact CD1-CD2 3.65Å; Y115-H240 AromaticContact CD1-NE2 3.49Å; Y115-H240 WeakPolarHBondContact CD1-NE2 3.48Å; Y115-H240 AromaticContact CE1-CD2 3.41Å; Y115-H240 VanDerWaalsContact CE1-CD2 3.41Å; Y115-H240 WeakPolarHBondContact CE1-CD2 3.41Å; Y115-H240 AromaticContact CE1-NE2 3.71Å; P117-H240 HydrophobicContact CB-CB 4.14Å; P117-H240 HydrophobicContact CG-CB 4.49Å; I125-H240 HydrophobicContact CD1-CB 3.99Å; I125-H240 HydrophobicContact CG2-CB 4.48Å; L236-H240 PolarHBondContact O-CD2 2.92Å; L236-H240 PolarHBondContact O-N 3.39Å; A237-H240 PolarHBondContact O-N 2.8Å; H240-R244 WeakPolarHBondContact O-CB 3.39Å; H240-R244 PolarHBondContact O-N 2.91Å |
| 241 | W | 87.6 | Confident | 77.8 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -52.3 | 173.3 | -174.9 | 84.4 | 0 | 0 | 0 | 111 | I125 L138 P140 S141 A237 R238 H239 S243 R244 L245 | I125-W241 VanDerWaalsContact CD1-CA 3.45Å; I125-W241 HydrophobicContact CD1-CB 3.67Å; I125-W241 HydrophobicContact CD1-CG 4.48Å; I125-W241 VanDerWaalsContact CD1-N 3.27Å; L138-W241 HydrophobicContact CD2-CB 3.78Å; L138-W241 HydrophobicContact CD2-CG 4.08Å; P140-W241 PolarHBondContact O-NE1 3.48Å; S141-W241 WeakPolarHBondContact O-CZ2 3.49Å; A237-W241 WeakPolarHBondContact O-CB 3.33Å; A237-W241 PolarHBondContact O-N 3.25Å; R238-W241 WeakPolarHBondContact O-CB 3.45Å; R238-W241 PolarHBondContact O-N 2.99Å; H239-W241 VanDerWaalsContact C-N 3.31Å; W241-S243 PolarHBondContact O-N 2.81Å; W241-R244 WeakPolarHBondContact O-CB 3.34Å; W241-R244 PolarHBondContact O-N 2.89Å; W241-L245 HydrophobicContact CD2-CD1 4.2Å; W241-L245 HydrophobicContact CE3-CD1 3.77Å; W241-L245 HydrophobicContact CH2-CD1 3.57Å; W241-L245 HydrophobicContact CZ2-CD1 3.97Å; W241-L245 HydrophobicContact CZ2-CD2 4.28Å; W241-L245 HydrophobicContact CZ3-CD1 3.46Å; W241-L245 VanDerWaalsContact CZ3-CD1 3.46Å; W241-L245 WeakPolarHBondContact O-CG 3.3Å; W241-L245 PolarHBondContact O-N 3.43Å |
| 242 | T | 86.4 | Confident | 75.3 | Confident | 63 Ų | 63 | 69 Ų | 69 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.9 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | R238 H239 R244 L245 S246 | R238-T242 WeakPolarHBondContact O-CG2 3.41Å; R238-T242 PolarHBondContact O-N 3.19Å; R238-T242 PolarHBondContact O-OG1 2.92Å; R238-T242 VanDerWaalsContact O-OG1 3.14Å; H239-T242 PolarHBondContact O-OG1 2.64Å; T242-R244 PolarHBondContact O-N 3.25Å; T242-L245 WeakPolarHBondContact O-CA 3.28Å; T242-L245 VanDerWaalsContact O-CB 3.24Å; T242-L245 WeakPolarHBondContact O-CB 3.47Å; T242-L245 PolarHBondContact O-N 3.43Å; T242-S246 PolarHBondContact O-N 2.88Å; T242-S246 VanDerWaalsContact O-N 3.15Å |
| 243 | S | 83.6 | Confident | 72.5 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 175.8 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | H239 W241 L245 S246 N247 | H239-S243 VanDerWaalsContact O-CB 3.32Å; H239-S243 WeakPolarHBondContact O-CB 3.34Å; H239-S243 PolarHBondContact O-N 3.38Å; H239-S243 PolarHBondContact O-OG 3.07Å; W241-S243 PolarHBondContact O-N 2.81Å; S243-L245 VanDerWaalsContact C-N 3.28Å; S243-S246 PolarHBondContact O-OG 3.08Å; S243-N247 WeakPolarHBondContact O-CB 3.42Å; S243-N247 PolarHBondContact O-N 3.47Å; S243-N247 VanDerWaalsContact O-N 3.14Å; S243-N247 PolarHBondContact O-ND2 3.39Å |
| 244 | R | 76.9 | Confident | 69.5 | Low | 129 Ų | 129 | 84.1 Ų | 84.1 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.4 | -28.8 | 172.7 | -166.2 | -170.9 | -177.7 | -163.7 | 1.6 | 112 | H240 W241 T242 | H240-R244 WeakPolarHBondContact O-CB 3.39Å; H240-R244 PolarHBondContact O-N 2.91Å; W241-R244 WeakPolarHBondContact O-CB 3.34Å; W241-R244 PolarHBondContact O-N 2.89Å; T242-R244 PolarHBondContact O-N 3.25Å |
| 245 | L | 71.6 | Confident | 66.5 | Low | 34 Ų | 34 | 92 Ų | 92 | 18% | 0.178 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.3 | -41.7 | 177.1 | -53.5 | 179.1 | 0 | 0 | 0 | 111.4 | W241 T242 S243 R368 | W241-L245 HydrophobicContact CD2-CD1 4.2Å; W241-L245 HydrophobicContact CE3-CD1 3.77Å; W241-L245 HydrophobicContact CH2-CD1 3.57Å; W241-L245 HydrophobicContact CZ2-CD1 3.97Å; W241-L245 HydrophobicContact CZ2-CD2 4.28Å; W241-L245 HydrophobicContact CZ3-CD1 3.46Å; W241-L245 VanDerWaalsContact CZ3-CD1 3.46Å; W241-L245 WeakPolarHBondContact O-CG 3.3Å; W241-L245 PolarHBondContact O-N 3.43Å; T242-L245 WeakPolarHBondContact O-CA 3.28Å; T242-L245 VanDerWaalsContact O-CB 3.24Å; T242-L245 WeakPolarHBondContact O-CB 3.47Å; T242-L245 PolarHBondContact O-N 3.43Å; S243-L245 VanDerWaalsContact C-N 3.28Å; L245-R368 VanDerWaalsContact CD2-CZ 3.41Å |
| 246 | S | 67.9 | Low | 63.6 | Low | 69 Ų | 69 | 96.4 Ų | 96.4 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74 | -43.1 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | T242 S243 S248 E249 | T242-S246 PolarHBondContact O-N 2.88Å; T242-S246 VanDerWaalsContact O-N 3.15Å; S243-S246 PolarHBondContact O-OG 3.08Å; S246-S248 PolarHBondContact O-N 3.33Å; S246-E249 PolarHBondContact O-N 2.94Å; S246-E249 VanDerWaalsContact O-N 3.15Å |
| 247 | N | 57.9 | Low | 60.6 | Low | 131 Ų | 131 | 101.8 Ų | 101.8 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 1.8 | -178.5 | -66.2 | -18.9 | 0 | 0 | 0 | 114.7 | S243 | S243-N247 WeakPolarHBondContact O-CB 3.42Å; S243-N247 PolarHBondContact O-N 3.47Å; S243-N247 VanDerWaalsContact O-N 3.14Å; S243-N247 PolarHBondContact O-ND2 3.39Å |
| 248 | S | 53.7 | Low | 58.1 | Low | 55 Ų | 55 | 112 Ų | 112 | 39% | 0.385 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | -10.9 | 176.4 | 165.7 | 0 | 0 | 0 | 0 | 113.1 | S246 D250 R361 | S246-S248 PolarHBondContact O-N 3.33Å; S248-D250 PolarHBondContact O-N 3.49Å; S248-R361 PolarHBondContact OG-NH1 2.78Å; S248-R361 PolarHBondContact OG-NH2 2.88Å |
| 249 | E | 46.9 | Very low | 55.4 | Low | 155 Ų | 155 | 111 Ų | 111 | 72% | 0.724 | 58% | 0.577 | S | S | * | * | trans | -96 | 74 | 175.7 | -68.9 | -171 | 172 | 0 | 0 | 109.4 | S246 | S246-E249 PolarHBondContact O-N 2.94Å; S246-E249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | D | 38.3 | Very low | 53.2 | Low | 144 Ų | 144 | 119.5 Ų | 119.5 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | trans | -135.4 | 97.2 | 168.7 | -99.2 | -32.9 | 0 | 0 | 0 | 109.4 | S248 | S248-D250 PolarHBondContact O-N 3.49Š| ||
| 251 | T | 34.8 | Very low | 50.6 | Low | 125 Ų | 125 | 125.7 Ų | 125.7 | 77% | 0.767 | 64% | 0.635 | S | S | * | * | S | Bend | -167.5 | 106.7 | 129.7 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | |||
| 252 | K | 41.5 | Very low | 48 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | trans | 93.1 | 111.4 | 145.8 | -78.8 | 175.7 | -171.2 | -179 | 0 | 122 | ||||
| 253 | F | 34.4 | Very low | 45.6 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 78% | 0.781 | 68% | 0.682 | S | S | * | * | trans | 97.9 | 115.4 | 141.2 | -78.6 | -73.1 | 0 | 0 | 0 | 121 | ||||
| 254 | E | 33.3 | Very low | 43.5 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | 78.8 | 127.5 | 147.8 | -55.1 | -140.5 | 154.6 | 0 | 0 | 122.8 | ||||
| 255 | E | 31.3 | Very low | 41.7 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 24.7 | 137.6 | 166.9 | -74 | -170.1 | 151.8 | 0 | 0 | 122.8 | S257 | E255-S257 PolarHBondContact O-N 3.4Š| ||
| 256 | P | 33.1 | Very low | 40.6 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -76.7 | 94.7 | -177.9 | 32.8 | -32.1 | 0 | 0 | 0 | 110.8 | K258 | P256-K258 PolarHBondContact O-N 3.49Å; P256-K258 VanDerWaalsContact O-N 3.14Å | ||
| 257 | S | 30.7 | Very low | 39.3 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -69.6 | 104.4 | 162.8 | -67 | 0 | 0 | 0 | 0 | 109 | E255 S259 | E255-S257 PolarHBondContact O-N 3.4Å; S257-S259 PolarHBondContact O-N 2.98Å | ||
| 258 | K | 41.9 | Very low | 39.2 | Very low | 215 Ų | 215 | 144.7 Ų | 144.7 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | trans | -62.9 | 99.9 | 171.8 | -70 | 178.6 | 178 | 178.4 | 0 | 109.5 | P256 | P256-K258 PolarHBondContact O-N 3.49Å; P256-K258 VanDerWaalsContact O-N 3.14Å | ||
| 259 | S | 34.7 | Very low | 39 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -141.4 | 102.3 | 164.3 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | S257 | S257-S259 PolarHBondContact O-N 2.98Š| ||
| 260 | R | 44.2 | Very low | 39.4 | Very low | 246 Ų | 246 | 141 Ų | 141 | 93% | 0.928 | 73% | 0.73 | S | S | * | * | trans | 52.2 | 90.2 | 140.8 | -59.2 | -176.8 | 177.7 | -177 | -1.7 | 117.6 | ||||
| 261 | Q | 32.7 | Very low | 40 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | -136.7 | 103.7 | 138.6 | -104.4 | 169.7 | -27.8 | 0 | 0 | 107.2 | D263 | Q261-D263 PolarHBondContact O-N 3.31Å; Q261-D263 VanDerWaalsContact O-N 3.17Å | ||
| 262 | A | 32.5 | Very low | 41.2 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 88% | 0.884 | 71% | 0.713 | S | S | * | * | trans | -82.8 | 70.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 263 | D | 35.4 | Very low | 42.3 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | -96.5 | 126.8 | 163.7 | -88.4 | -24.3 | 0 | 0 | 0 | 107 | Q261 E265 | Q261-D263 PolarHBondContact O-N 3.31Å; Q261-D263 VanDerWaalsContact O-N 3.17Å; D263-E265 VanDerWaalsContact C-N 3.33Å; D263-E265 PolarHBondContact O-N 2.78Å | ||
| 264 | D | 40.4 | Very low | 43.9 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -31 | 86.6 | 169.7 | -159.7 | 18.7 | 0 | 0 | 0 | 112.1 | M266 | D264-M266 PolarHBondContact O-N 3.26Š| ||
| 265 | E | 39.2 | Very low | 46.1 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | trans | -70 | 79.5 | 168.4 | -165.6 | 178.9 | -157.2 | 0 | 0 | 105.7 | D263 N267 | D263-E265 VanDerWaalsContact C-N 3.33Å; D263-E265 PolarHBondContact O-N 2.78Å; E265-N267 VanDerWaalsContact C-N 3.32Å; E265-N267 PolarHBondContact O-N 3.19Å | ||
| 266 | M | 47.6 | Very low | 48.9 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 70% | 0.7 | 64% | 0.643 | S | S | * | * | trans | -57.3 | 104.9 | 173.4 | -159.3 | 169.3 | -169.5 | 0 | 0 | 105.2 | D264 I268 | D264-M266 PolarHBondContact O-N 3.26Å; M266-I268 WeakPolarHBondContact O-CG1 3.47Å; M266-I268 PolarHBondContact O-N 3.39Å | ||
| 267 | N | 42 | Very low | 51.7 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 72% | 0.717 | 63% | 0.626 | S | S | * | * | trans | -67.5 | 83.3 | -177.9 | -165.6 | -26 | 0 | 0 | 0 | 106.8 | E265 S269 | E265-N267 VanDerWaalsContact C-N 3.32Å; E265-N267 PolarHBondContact O-N 3.19Å; N267-S269 PolarHBondContact O-N 2.68Å | ||
| 268 | I | 54.6 | Low | 54.7 | Low | 60 Ų | 60 | 114.4 Ų | 114.4 | 31% | 0.308 | 59% | 0.591 | S | S | . | * | trans | -74.5 | 72.3 | 176 | -58.7 | 164.6 | 0 | 0 | 0 | 106.3 | W112 M266 | W112-I268 HydrophobicContact CD2-CG2 3.92Å; W112-I268 HydrophobicContact CE3-CB 4.46Å; W112-I268 HydrophobicContact CE3-CD1 4.36Å; W112-I268 HydrophobicContact CE3-CG2 3.52Å; W112-I268 HydrophobicContact CG-CG2 4.5Å; W112-I268 HydrophobicContact CH2-CB 4.29Å; W112-I268 HydrophobicContact CH2-CD1 3.46Å; W112-I268 VanDerWaalsContact CH2-CD1 3.46Å; W112-I268 HydrophobicContact CH2-CG1 4.46Å; W112-I268 HydrophobicContact CH2-CG2 4.2Å; W112-I268 HydrophobicContact CZ2-CD1 4.48Å; W112-I268 HydrophobicContact CZ3-CB 4.27Å; W112-I268 HydrophobicContact CZ3-CD1 3.44Å; W112-I268 VanDerWaalsContact CZ3-CD1 3.44Å; W112-I268 HydrophobicContact CZ3-CG1 4.38Å; W112-I268 HydrophobicContact CZ3-CG2 3.74Å; M266-I268 WeakPolarHBondContact O-CG1 3.47Å; M266-I268 PolarHBondContact O-N 3.39Å | ||
| 269 | S | 49.9 | Very low | 57.2 | Low | 54 Ų | 54 | 109.1 Ų | 109.1 | 38% | 0.378 | 57% | 0.569 | S | S | . | * | trans | -92.8 | 124.9 | 162.4 | -177.6 | 0 | 0 | 0 | 0 | 105.5 | N267 K271 | N267-S269 PolarHBondContact O-N 2.68Å; S269-K271 PolarHBondContact O-N 3.41Å; S269-K271 VanDerWaalsContact OG-CE 3.25Å; S269-K271 WeakPolarHBondContact OG-CE 3.5Å; S269-K271 WeakPolarHBondContact OG-CG 3.44Å | ||
| 270 | D | 55.1 | Low | 60 | Low | 80 Ų | 80 | 104.7 Ų | 104.7 | 43% | 0.428 | 54% | 0.538 | S | S | . | . | trans | -61 | 56.1 | 175.4 | -71.3 | -41.8 | 0 | 0 | 0 | 111.9 | W112 | W112-D270 WeakPolarHBondContact CB-OD1 3.49Š| ||
| 271 | K | 51.1 | Low | 62.4 | Low | 156 Ų | 156 | 94 Ų | 94 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | trans | -81.1 | -22.3 | -170.3 | -82.9 | 173.4 | 176.8 | 170.9 | 0 | 112.6 | S269 | S269-K271 PolarHBondContact O-N 3.41Å; S269-K271 VanDerWaalsContact OG-CE 3.25Å; S269-K271 WeakPolarHBondContact OG-CE 3.5Å; S269-K271 WeakPolarHBondContact OG-CG 3.44Å | ||
| 272 | N | 60.6 | Low | 65.3 | Low | 94 Ų | 94 | 90.3 Ų | 90.3 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | trans | -138 | 120.9 | -178.6 | -60.3 | -36.7 | 0 | 0 | 0 | 112.1 | T274 D275 | N272-T274 PolarHBondContact O-N 3.27Å; N272-T274 VanDerWaalsContact O-N 3.16Å; N272-D275 PolarHBondContact O-N 3.06Å | ||
| 273 | D | 64.3 | Low | 68.2 | Low | 92 Ų | 92 | 86 Ų | 86 | 49% | 0.492 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -60.4 | -23.4 | 176.2 | -164.8 | 35.2 | 0 | 0 | 0 | 112.9 | K108 D275 R276 | K108-D273 WeakPolarHBondContact CE-OD1 3.43Å; K108-D273 IonicContact NZ-OD1 2.77Å; K108-D273 PolarHBondContact NZ-OD1 3.35Å; K108-D273 IonicContact NZ-OD2 2.85Å; K108-D273 PolarHBondContact NZ-OD2 3.43Å; D273-D275 VanDerWaalsContact C-N 3.35Å; D273-D275 PolarHBondContact O-N 2.89Å; D273-R276 WeakPolarHBondContact O-CB 3.37Å; D273-R276 PolarHBondContact O-N 2.98Å; D273-R276 IonicContact OD1-CZ 2.87Å; D273-R276 IonicContact OD1-NH1 3.14Å; D273-R276 PolarHBondContact OD1-NH1 3.09Å |
| 274 | T | 68.5 | Low | 71.1 | Confident | 96 Ų | 96 | 80.5 Ų | 80.5 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -70.6 | -24.2 | -179.5 | 54 | 0 | 0 | 0 | 0 | 114.3 | N272 R276 D277 | N272-T274 PolarHBondContact O-N 3.27Å; N272-T274 VanDerWaalsContact O-N 3.16Å; T274-R276 PolarHBondContact O-N 3.03Å; T274-D277 PolarHBondContact O-N 3.19Å |
| 275 | D | 79.3 | Confident | 73.6 | Confident | 98 Ų | 98 | 75 Ų | 75 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -74.3 | -11.5 | -177.6 | -67.3 | -7.2 | 0 | 0 | 0 | 111.9 | Y232 N272 D273 | Y232-D275 WeakPolarHBondContact CB-O 3.39Å; N272-D275 PolarHBondContact O-N 3.06Å; D273-D275 VanDerWaalsContact C-N 3.35Å; D273-D275 PolarHBondContact O-N 2.89Å |
| 276 | R | 90.3 | Very high | 76.2 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 4% | 0.038 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -88.6 | -12.8 | 178.3 | -57.9 | 169.1 | 54.8 | -164 | 2.4 | 113 | K108 W109 E111 E130 Y232 D273 T274 | K108-R276 HydrophobicContact CG-CB 4.4Å; W109-R276 PolarHBondContact N-O 3.41Å; W109-R276 PolarHBondContact O-NE 3.34Å; W109-R276 PolarHBondContact O-NH2 2.64Å; E111-R276 IonicContact OE1-CZ 3.5Å; E111-R276 IonicContact OE1-NH1 3.34Å; E111-R276 PolarHBondContact OE1-NH1 3.16Å; E130-R276 IonicContact OE1-CZ 3.25Å; E130-R276 IonicContact OE1-NH2 3.09Å; E130-R276 PolarHBondContact OE1-NH2 3.44Å; Y232-R276 HydrophobicContact CE1-CB 4.22Å; Y232-R276 HydrophobicContact CE1-CG 3.92Å; Y232-R276 HydrophobicContact CE2-CG 4.11Å; D273-R276 WeakPolarHBondContact O-CB 3.37Å; D273-R276 PolarHBondContact O-N 2.98Å; D273-R276 IonicContact OD1-CZ 2.87Å; D273-R276 IonicContact OD1-NH1 3.14Å; D273-R276 PolarHBondContact OD1-NH1 3.09Å; T274-R276 PolarHBondContact O-N 3.03Å |
| 277 | D | 91.8 | Very high | 78.3 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 135 | -179.5 | -65.3 | -35.4 | 0 | 0 | 0 | 109.9 | V107 T274 | V107-D277 WeakPolarHBondContact O-CA 3.47Å; T274-D277 PolarHBondContact O-N 3.19Å |
| 278 | S | 92.9 | Very high | 80.7 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.8 | 177.6 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | S106 V107 W109 T229 | S106-S278 CarbonylContact C-O 3.56Å; S106-S278 WeakPolarHBondContact CA-O 3.31Å; V107-S278 PolarHBondContact N-O 3.13Å; V107-S278 PolarHBondContact O-N 2.66Å; W109-S278 PolarHBondContact NE1-OG 3.06Å; T229-S278 WeakPolarHBondContact O-CB 3.38Å; T229-S278 PolarHBondContact O-OG 3.17Å |
| 279 | Q | 93.4 | Very high | 82.2 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 107.9 | 176.9 | -69.2 | -62.4 | -36.8 | 0 | 0 | 110.1 | S105 T229 | S105-Q279 PolarHBondContact OG-OE1 3.44Å; T229-Q279 WeakPolarHBondContact CG2-O 3.38Å |
| 280 | L | 94.4 | Very high | 84.2 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 142.9 | -179 | -62.8 | -179.3 | 0 | 0 | 0 | 112.2 | S105 V107 A134 F149 W230 Q282 | S105-L280 WeakPolarHBondContact CB-O 3.17Å; S105-L280 WeakPolarHBondContact O-CB 3.26Å; S105-L280 VanDerWaalsContact O-CG 3.29Å; S105-L280 WeakPolarHBondContact O-CG 3.12Å; S105-L280 PolarHBondContact O-N 3.43Å; V107-L280 HydrophobicContact CG1-CD1 3.51Å; V107-L280 HydrophobicContact CG1-CD2 4.32Å; V107-L280 HydrophobicContact CG1-CG 3.84Å; V107-L280 HydrophobicContact CG2-CD1 4.5Å; V107-L280 HydrophobicContact CG2-CD2 3.79Å; V107-L280 HydrophobicContact CG2-CG 3.99Å; A134-L280 HydrophobicContact CB-CD1 4.44Å; A134-L280 HydrophobicContact CB-CD2 3.77Å; F149-L280 HydrophobicContact CB-CD1 4.1Å; F149-L280 HydrophobicContact CB-CD2 3.92Å; F149-L280 HydrophobicContact CD2-CB 4.29Å; F149-L280 HydrophobicContact CG-CD2 4.32Å; W230-L280 HydrophobicContact CH2-CD2 3.63Å; W230-L280 HydrophobicContact CZ3-CD2 3.92Å; L280-Q282 PolarHBondContact O-N 3.29Å |
| 281 | P | 94.2 | Very high | 85.9 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 127.2 | 176.5 | -24.9 | 33.7 | 0 | 0 | 0 | 112.5 | F149 C151 W230 | F149-P281 HydrophobicContact CE1-CG 4.26Å; F149-P281 HydrophobicContact CE2-CB 4Å; F149-P281 HydrophobicContact CE2-CG 4.15Å; F149-P281 WeakPolarHBondContact CE2-O 3.39Å; F149-P281 HydrophobicContact CZ-CB 3.83Å; F149-P281 HydrophobicContact CZ-CG 3.76Å; C151-P281 PolarHBondContact SG-O 3.4Å; W230-P281 HydrophobicContact CZ2-CG 4.13Å |
| 282 | Q | 93.5 | Very high | 87.6 | Confident | 95 Ų | 95 | 53 Ų | 53 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 143.6 | 176.9 | -63.6 | -174.7 | 0.1 | 0 | 0 | 111.6 | R84 S105 L280 | R84-Q282 PolarHBondContact NE-O 3.18Å; S105-Q282 PolarHBondContact OG-NE2 2.96Å; S105-Q282 VanDerWaalsContact OG-NE2 3.15Å; L280-Q282 PolarHBondContact O-N 3.29Å |
| 283 | A | 94.7 | Very high | 89 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 147.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R84 P85 L87 C151 N152 | R84-A283 PolarHBondContact NH2-O 3.4Å; P85-A283 CarbonylContact O-C 3.48Å; P85-A283 VanDerWaalsContact O-CA 3.25Å; P85-A283 WeakPolarHBondContact O-CA 3.26Å; L87-A283 HydrophobicContact CB-CB 4.36Å; L87-A283 HydrophobicContact CD1-CB 4.06Å; L87-A283 HydrophobicContact CG-CB 4.32Å; C151-A283 PolarHBondContact SG-N 3.1Å; C151-A283 VanDerWaalsContact SG-N 3.42Å; N152-A283 WeakPolarHBondContact O-CB 3.33Å |
| 284 | L | 95.1 | Very high | 90.2 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 151.2 | 173 | -70.6 | 169.6 | 0 | 0 | 0 | 110.8 | C33 R84 P85 Y86 S154 L418 | C33-L284 HydrophobicContact CB-CD1 4.34Å; C33-L284 WeakPolarHBondContact O-CD1 2.97Å; R84-L284 HydrophobicContact CB-CD1 4.34Å; R84-L284 HydrophobicContact CB-CD2 4.03Å; R84-L284 HydrophobicContact CB-CG 3.85Å; P85-L284 PolarHBondContact O-N 3.17Å; Y86-L284 HydrophobicContact CD2-CB 4.09Å; S154-L284 WeakPolarHBondContact CB-O 3.48Å; S154-L284 PolarHBondContact OG-O 3.32Å; L284-L418 HydrophobicContact CD1-CD2 3.92Å; L284-L418 HydrophobicContact CD2-CD2 3.74Å |
| 285 | P | 93.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -65 | 151 | 178.1 | 28.1 | -35.2 | 0 | 0 | 0 | 111.4 | Y86 Q155 T287 | Y86-P285 WeakPolarHBondContact CE2-O 3.29Å; Q155-P285 WeakPolarHBondContact O-CA 3.4Å; P285-T287 PolarHBondContact O-N 3.3Å |
| 286 | L | 93.4 | Very high | 91.5 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -60.1 | -29.4 | 179.1 | -75.1 | 173.1 | 0 | 0 | 0 | 113.2 | Y86 P88 S154 Q155 P156 | Y86-L286 PolarHBondContact OH-O 2.99Å; Y86-L286 VanDerWaalsContact OH-O 3.06Å; P88-L286 HydrophobicContact CB-CD2 3.93Å; S154-L286 WeakPolarHBondContact O-CD1 3.24Å; S154-L286 VanDerWaalsContact O-CG 3.26Å; S154-L286 WeakPolarHBondContact O-CG 3.2Å; Q155-L286 PolarHBondContact O-N 3.29Å; P156-L286 HydrophobicContact CG-CD1 4.29Å |
| 287 | T | 91.7 | Very high | 91 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -111.7 | 127.8 | -179.4 | 50.2 | 0 | 0 | 0 | 0 | 110 | P285 | P285-T287 PolarHBondContact O-N 3.3Š|
| 288 | C | 91.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | trans | -73.7 | 129 | 171.6 | -177 | 0 | 0 | 0 | 0 | 109.9 | S35 S290 P291 H294 C417 | S35-C288 VanDerWaalsContact OG-CB 3.29Å; S35-C288 WeakPolarHBondContact OG-CB 3.22Å; C288-S290 PolarHBondContact O-N 3.24Å; C288-S290 VanDerWaalsContact SG-C 3.51Å; C288-S290 PolarHBondContact SG-N 3.27Å; C288-P291 WeakPolarHBondContact O-CD 3.25Å; C288-H294 PolarHBondContact SG-NE2 2.81Å; C288-C417 VanDerWaalsContact SG-CB 3.58Å | ||
| 289 | P | 88 | Confident | 88.2 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 38% | 0.377 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.7 | -19.4 | 174.6 | 29.3 | -35.1 | 0 | 0 | 0 | 112.7 | P291 | P289-P291 VanDerWaalsContact C-CD 3.45Š|
| 290 | S | 90.5 | Very high | 86 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | trans | -132 | 52.4 | -168.6 | -83.3 | 0 | 0 | 0 | 0 | 112.4 | C288 H292 W293 C417 Q420 | C288-S290 PolarHBondContact O-N 3.24Å; C288-S290 VanDerWaalsContact SG-C 3.51Å; C288-S290 PolarHBondContact SG-N 3.27Å; S290-H292 PolarHBondContact O-N 3.14Å; S290-W293 WeakPolarHBondContact O-CB 3.13Å; S290-W293 PolarHBondContact O-N 3.17Å; S290-C417 WeakPolarHBondContact O-CB 3.26Å; S290-Q420 PolarHBondContact OG-OE1 2.84Å | ||
| 291 | P | 90.4 | Very high | 83.6 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -68.4 | -17.5 | -174 | 29.7 | -36.4 | 0 | 0 | 0 | 113.7 | C288 P289 W293 H294 | C288-P291 WeakPolarHBondContact O-CD 3.25Å; P289-P291 VanDerWaalsContact C-CD 3.45Å; P291-W293 PolarHBondContact O-N 3.35Å; P291-H294 WeakPolarHBondContact O-CB 3.39Å; P291-H294 VanDerWaalsContact O-CG 3.28Å; P291-H294 PolarHBondContact O-N 2.74Å; P291-H294 PolarHBondContact O-ND1 3.28Å |
| 292 | H | 88.1 | Confident | 80.9 | Confident | 143 Ų | 143 | 67.3 Ų | 67.3 | 66% | 0.662 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -69.9 | -14 | 174 | 61.3 | -82.4 | 0 | 0 | 0 | 113.2 | S290 | S290-H292 PolarHBondContact O-N 3.14Š|
| 293 | W | 88.7 | Confident | 78 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -89.2 | -0.3 | 172.8 | -65.9 | 88.9 | 0 | 0 | 0 | 113.2 | S290 P291 R295 I414 P415 C417 | S290-W293 WeakPolarHBondContact O-CB 3.13Å; S290-W293 PolarHBondContact O-N 3.17Å; P291-W293 PolarHBondContact O-N 3.35Å; W293-R295 PolarHBondContact O-N 2.73Å; W293-I414 HydrophobicContact CE3-CG2 4.36Å; W293-I414 HydrophobicContact CZ3-CG2 3.86Å; W293-P415 HydrophobicContact CD2-CB 4.2Å; W293-P415 HydrophobicContact CE3-CB 3.79Å; W293-P415 HydrophobicContact CE3-CG 4.28Å; W293-P415 HydrophobicContact CH2-CB 3.82Å; W293-P415 HydrophobicContact CH2-CG 3.53Å; W293-P415 HydrophobicContact CZ2-CB 4.22Å; W293-P415 HydrophobicContact CZ2-CG 4.23Å; W293-P415 HydrophobicContact CZ3-CB 3.6Å; W293-P415 VanDerWaalsContact CZ3-CD 3.48Å; W293-P415 HydrophobicContact CZ3-CG 3.56Å; W293-C417 HydrophobicContact CB-CB 4.17Å |
| 294 | H | 90.7 | Very high | 75.2 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 7% | 0.065 | 39% | 0.391 | C | S | . | . | trans | -72 | 127 | 173 | -60.4 | 166.5 | 0 | 0 | 0 | 110 | C33 E36 C288 P291 W296 C417 | C33-H294 PolarHBondContact SG-NE2 2.84Å; E36-H294 IonicContact OE2-CE1 2.71Å; E36-H294 PolarHBondContact OE2-CE1 3.05Å; E36-H294 IonicContact OE2-CG 2.64Å; E36-H294 IonicContact OE2-ND1 2.75Å; E36-H294 PolarHBondContact OE2-ND1 2.78Å; C288-H294 PolarHBondContact SG-NE2 2.81Å; P291-H294 WeakPolarHBondContact O-CB 3.39Å; P291-H294 VanDerWaalsContact O-CG 3.28Å; P291-H294 PolarHBondContact O-N 2.74Å; P291-H294 PolarHBondContact O-ND1 3.28Å; H294-W296 HydrophobicContact CB-CZ2 3.81Å; H294-C417 PolarHBondContact NE2-SG 2.85Å | ||
| 295 | R | 86.1 | Confident | 72.3 | Confident | 94 Ų | 94 | 81.6 Ų | 81.6 | 36% | 0.355 | 42% | 0.416 | S | S | . | . | trans | -106.2 | 141.3 | 177.4 | -59 | -174.9 | -162.7 | 145.2 | 27.7 | 109.8 | W293 I414 P415 | W293-R295 PolarHBondContact O-N 2.73Å; R295-I414 PolarHBondContact NH2-O 2.96Å; R295-P415 PolarHBondContact NH2-O 2.99Å | ||
| 296 | W | 88.6 | Confident | 69.5 | Low | 48 Ų | 48 | 88.7 Ų | 88.7 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | trans | -130.3 | 121.9 | -178.7 | -51.2 | 106.1 | 0 | 0 | 0 | 108.2 | Q29 E36 V38 H294 I298 | Q29-W296 HydrophobicContact CB-CE3 3.88Å; Q29-W296 HydrophobicContact CB-CZ3 4Å; Q29-W296 WeakPolarHBondContact O-CZ3 3.34Å; E36-W296 HydrophobicContact CB-CH2 4.11Å; E36-W296 HydrophobicContact CB-CZ2 4.03Å; V38-W296 HydrophobicContact CB-CD2 4.26Å; V38-W296 HydrophobicContact CB-CE3 3.8Å; V38-W296 HydrophobicContact CB-CZ3 4.14Å; V38-W296 HydrophobicContact CG2-CB 4.46Å; V38-W296 HydrophobicContact CG2-CD2 3.4Å; V38-W296 VanDerWaalsContact CG2-CD2 3.4Å; V38-W296 HydrophobicContact CG2-CE3 3.42Å; V38-W296 VanDerWaalsContact CG2-CE3 3.42Å; V38-W296 HydrophobicContact CG2-CG 3.88Å; V38-W296 HydrophobicContact CG2-CH2 4.22Å; V38-W296 HydrophobicContact CG2-CZ2 4.22Å; V38-W296 HydrophobicContact CG2-CZ3 3.85Å; H294-W296 HydrophobicContact CB-CZ2 3.81Å; W296-I298 PolarHBondContact O-N 3.01Å | ||
| 297 | K | 79.4 | Confident | 66.9 | Low | 52 Ų | 52 | 94.6 Ų | 94.6 | 23% | 0.226 | 48% | 0.475 | C | S | . | . | trans | -79.3 | 109.3 | 177.7 | -62.9 | 176.5 | -169.1 | 175.7 | 0 | 107.9 | Y13 Q29 S311 E313 | Y13-K297 VanDerWaalsContact CE1-NZ 3.26Å; Y13-K297 VanDerWaalsContact CE2-NZ 3.32Å; Y13-K297 PolarHBondContact OH-NZ 2.94Å; Q29-K297 PolarHBondContact NE2-O 2.85Å; K297-S311 WeakPolarHBondContact CE-OG 3.26Å; K297-S311 PolarHBondContact NZ-OG 3.33Å; K297-E313 WeakPolarHBondContact CE-OE1 3.33Å; K297-E313 WeakPolarHBondContact CE-OE2 3.34Å; K297-E313 VanDerWaalsContact NZ-CD 3.28Å; K297-E313 IonicContact NZ-OE1 3.76Å; K297-E313 IonicContact NZ-OE2 2.72Å; K297-E313 PolarHBondContact NZ-OE2 2.93Å | ||
| 298 | I | 66.3 | Low | 64.5 | Low | 110 Ų | 110 | 96 Ų | 96 | 56% | 0.564 | 49% | 0.486 | S | S | * | . | trans | -105.7 | 97.5 | 176.8 | -64.9 | 170.8 | 0 | 0 | 0 | 106.1 | W296 | W296-I298 PolarHBondContact O-N 3.01Š| ||
| 299 | K | 59.8 | Low | 62 | Low | 122 Ų | 122 | 100.1 Ų | 100.1 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | trans | -89.9 | 115.1 | 169.1 | -157.6 | 172.1 | -169.4 | 174.5 | 0 | 107.1 | S301 D309 | K299-S301 PolarHBondContact O-N 3.42Å; K299-D309 IonicContact NZ-OD2 3.3Å; K299-D309 PolarHBondContact NZ-OD2 3.34Å | ||
| 300 | D | 47.7 | Very low | 60.1 | Low | 124 Ų | 124 | 101.7 Ų | 101.7 | 66% | 0.663 | 51% | 0.512 | S | S | * | . | trans | -82.4 | 111.6 | 169.2 | -73.2 | -24.2 | 0 | 0 | 0 | 107.3 | R55 L302 | R55-D300 IonicContact NH2-OD1 2.68Å; R55-D300 PolarHBondContact NH2-OD1 3.48Å; D300-L302 PolarHBondContact O-N 3.44Å | ||
| 301 | S | 43.3 | Very low | 58.5 | Low | 91 Ų | 91 | 102.7 Ų | 102.7 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -66.4 | 100.8 | -171 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | K299 | K299-S301 PolarHBondContact O-N 3.42Š|
| 302 | L | 38.1 | Very low | 57.2 | Low | 166 Ų | 166 | 105.2 Ų | 105.2 | 87% | 0.869 | 53% | 0.534 | S | S | * | . | trans | -133.8 | 2.1 | 162.9 | -76 | 178.3 | 0 | 0 | 0 | 114.6 | D300 | D300-L302 PolarHBondContact O-N 3.44Š| ||
| 303 | V | 33.2 | Very low | 56.7 | Low | 100 Ų | 100 | 100.3 Ų | 100.3 | 61% | 0.606 | 51% | 0.511 | S | S | * | . | trans | -141.2 | 110 | 174.4 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | E305 | V303-E305 HydrophobicContact CG1-CB 4.35Å; V303-E305 PolarHBondContact O-N 3.48Å | ||
| 304 | E | 34.2 | Very low | 56.7 | Low | 200 Ų | 200 | 97.7 Ų | 97.7 | 94% | 0.935 | 50% | 0.503 | S | S | * | . | trans | -67.5 | 108.8 | 160.4 | -74.7 | -171.7 | 155.7 | 0 | 0 | 107.2 | ||||
| 305 | E | 34.5 | Very low | 56.8 | Low | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | trans | -130.3 | 112.1 | 171.7 | -137.8 | 170.3 | -168.3 | 0 | 0 | 108.8 | V303 M307 | V303-E305 HydrophobicContact CG1-CB 4.35Å; V303-E305 PolarHBondContact O-N 3.48Å; E305-M307 PolarHBondContact O-N 2.82Å; E305-M307 VanDerWaalsContact O-N 3.07Å | ||
| 306 | E | 35.8 | Very low | 57.2 | Low | 184 Ų | 184 | 96.2 Ų | 96.2 | 86% | 0.86 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -53.7 | 109.4 | 176.4 | -66.5 | -178 | 143.5 | 0 | 0 | 109.8 | S308 | E306-S308 PolarHBondContact O-N 2.92Å; E306-S308 PolarHBondContact O-OG 2.76Å |
| 307 | M | 38.8 | Very low | 57.6 | Low | 140 Ų | 140 | 94 Ų | 94 | 69% | 0.69 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 57.2 | 8.2 | 158.4 | -149.5 | 151 | 51.5 | 0 | 0 | 117.5 | E305 | E305-M307 PolarHBondContact O-N 2.82Å; E305-M307 VanDerWaalsContact O-N 3.07Å |
| 308 | S | 39.8 | Very low | 58.5 | Low | 85 Ų | 85 | 93 Ų | 93 | 59% | 0.594 | 49% | 0.489 | S | S | * | . | trans | -90.4 | -15.6 | -177.3 | -67.3 | 0 | 0 | 0 | 0 | 114.6 | E306 L310 | E306-S308 PolarHBondContact O-N 2.92Å; E306-S308 PolarHBondContact O-OG 2.76Å; S308-L310 PolarHBondContact O-N 3.42Å | ||
| 309 | D | 39.7 | Very low | 59.9 | Low | 107 Ų | 107 | 90 Ų | 90 | 57% | 0.572 | 47% | 0.471 | S | S | * | . | trans | -102.4 | 71.9 | 176.1 | -94.5 | -15.9 | 0 | 0 | 0 | 110.7 | K299 S311 | K299-D309 IonicContact NZ-OD2 3.3Å; K299-D309 PolarHBondContact NZ-OD2 3.34Å; D309-S311 PolarHBondContact O-N 3.11Å | ||
| 310 | L | 48.3 | Very low | 61.5 | Low | 90 Ų | 90 | 84.8 Ų | 84.8 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | trans | -69 | 126.3 | 159.2 | -79.9 | 162.3 | 0 | 0 | 0 | 107.8 | S308 T312 C401 | S308-L310 PolarHBondContact O-N 3.42Å; L310-T312 PolarHBondContact O-N 3.22Å; L310-C401 HydrophobicContact CB-CB 4.23Å; L310-C401 HydrophobicContact CD1-CB 3.09Å; L310-C401 WeakPolarHBondContact CD1-SG 3.43Å; L310-C401 HydrophobicContact CG-CB 4.24Å | ||
| 311 | S | 56.7 | Low | 63.4 | Low | 30 Ų | 30 | 86 Ų | 86 | 21% | 0.21 | 45% | 0.452 | C | S | . | . | trans | -46.8 | 141.5 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | K297 D309 E313 | K297-S311 WeakPolarHBondContact CE-OG 3.26Å; K297-S311 PolarHBondContact NZ-OG 3.33Å; D309-S311 PolarHBondContact O-N 3.11Å; S311-E313 PolarHBondContact O-N 2.91Å; S311-E313 PolarHBondContact OG-N 3.43Å | ||
| 312 | T | 63 | Low | 65.7 | Low | 101 Ų | 101 | 83.6 Ų | 83.6 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -57.7 | -3 | 169.9 | 47.4 | 0 | 0 | 0 | 0 | 113.9 | L310 L409 | L310-T312 PolarHBondContact O-N 3.22Å; T312-L409 WeakPolarHBondContact O-CD1 3.3Å |
| 313 | E | 78.5 | Confident | 68.4 | Low | 41 Ų | 41 | 76.2 Ų | 76.2 | 19% | 0.192 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -94.4 | 146.5 | 179.5 | -64.9 | 173.7 | -166.4 | 0 | 0 | 111.6 | Y13 K297 S311 V315 | Y13-E313 HydrophobicContact CD1-CB 3.82Å; Y13-E313 HydrophobicContact CE1-CB 4.23Å; Y13-E313 HydrophobicContact CG-CB 4.46Å; K297-E313 WeakPolarHBondContact CE-OE1 3.33Å; K297-E313 WeakPolarHBondContact CE-OE2 3.34Å; K297-E313 VanDerWaalsContact NZ-CD 3.28Å; K297-E313 IonicContact NZ-OE1 3.76Å; K297-E313 IonicContact NZ-OE2 2.72Å; K297-E313 PolarHBondContact NZ-OE2 2.93Å; S311-E313 PolarHBondContact O-N 2.91Å; S311-E313 PolarHBondContact OG-N 3.43Å; E313-V315 PolarHBondContact O-N 2.81Å |
| 314 | L | 89.1 | Confident | 71.4 | Confident | 33 Ų | 33 | 72 Ų | 72 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -73 | 120.3 | -179.4 | -64.2 | 179.4 | 0 | 0 | 0 | 110.7 | Y13 D14 Y402 A405 K406 L409 | Y13-L314 CarbonylContact C-O 3.46Å; Y13-L314 VanDerWaalsContact CA-O 3.26Å; Y13-L314 WeakPolarHBondContact CA-O 3.43Å; Y13-L314 WeakPolarHBondContact CB-O 3.47Å; D14-L314 HydrophobicContact CB-CB 4.02Å; D14-L314 PolarHBondContact N-O 3.05Å; D14-L314 VanDerWaalsContact OD2-CB 3.23Å; D14-L314 WeakPolarHBondContact OD2-CB 3.33Å; D14-L314 WeakPolarHBondContact OD2-CD1 3.4Å; L314-Y402 HydrophobicContact CB-CD2 4.39Å; L314-Y402 HydrophobicContact CB-CE2 3.73Å; L314-Y402 HydrophobicContact CD2-CD2 4.06Å; L314-Y402 HydrophobicContact CD2-CE2 3.75Å; L314-Y402 HydrophobicContact CG-CE2 4.18Å; L314-A405 HydrophobicContact CD2-CB 4.01Å; L314-K406 HydrophobicContact CD2-CB 3.83Å; L314-L409 HydrophobicContact CD1-CD1 3.97Å; L314-L409 HydrophobicContact CD2-CD1 3.74Å; L314-L409 HydrophobicContact CG-CD1 3.47Å; L314-L409 VanDerWaalsContact CG-CD1 3.47Å |
| 315 | V | 92.1 | Very high | 74.4 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.7 | 173.6 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | V11 Y13 E313 L318 I327 Y402 | V11-V315 HydrophobicContact CG1-CG1 3.99Å; V11-V315 HydrophobicContact CG1-CG2 4.09Å; Y13-V315 HydrophobicContact CD1-CG2 4.17Å; Y13-V315 HydrophobicContact CE1-CG2 4Å; E313-V315 PolarHBondContact O-N 2.81Å; V315-L318 HydrophobicContact CG1-CB 4.44Å; V315-I327 WeakPolarHBondContact O-CB 3.45Å; V315-I327 WeakPolarHBondContact O-CG1 3.32Å; V315-Y402 WeakPolarHBondContact O-CD2 3.23Å; V315-Y402 WeakPolarHBondContact O-CE2 3.44Å |
| 316 | K | 94.7 | Very high | 77.4 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 24% | 0.239 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -50.4 | 173.2 | -172.3 | -175.4 | -180 | -173.3 | 0 | 111.4 | M12 D14 Y81 I327 | M12-K316 WeakPolarHBondContact O-CA 3.36Å; M12-K316 WeakPolarHBondContact O-CB 3.5Å; M12-K316 PolarHBondContact O-N 2.81Å; M12-K316 HydrophobicContact SD-CD 4.01Å; D14-K316 WeakPolarHBondContact OD1-CB 3.37Å; Y81-K316 PolarHBondContact O-NZ 2.98Å; K316-I327 PolarHBondContact O-N 3.47Å |
| 317 | I | 97.6 | Very high | 80.3 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.5 | -179.9 | -49.9 | -69.7 | 0 | 0 | 0 | 109.3 | V11 M12 F77 Y81 T324 Y325 R326 | V11-I317 CarbonylContact C-O 3.56Å; V11-I317 WeakPolarHBondContact CA-O 3.29Å; M12-I317 HydrophobicContact CB-CB 4.09Å; M12-I317 HydrophobicContact CB-CG1 4.43Å; M12-I317 PolarHBondContact N-O 2.89Å; M12-I317 PolarHBondContact O-N 2.86Å; F77-I317 HydrophobicContact CE2-CG2 4.15Å; F77-I317 HydrophobicContact CZ-CB 4.24Å; F77-I317 HydrophobicContact CZ-CG2 3.82Å; Y81-I317 HydrophobicContact CD1-CD1 3.89Å; Y81-I317 HydrophobicContact CD1-CG1 4.07Å; Y81-I317 HydrophobicContact CD2-CG1 4.25Å; Y81-I317 HydrophobicContact CD2-CG2 4.06Å; Y81-I317 HydrophobicContact CE1-CD1 4.36Å; Y81-I317 HydrophobicContact CE1-CG2 4.45Å; Y81-I317 HydrophobicContact CE2-CG2 4.01Å; Y81-I317 HydrophobicContact CG-CD1 4.16Å; Y81-I317 HydrophobicContact CG-CG1 3.8Å; Y81-I317 HydrophobicContact CG-CG2 4.34Å; I317-T324 HydrophobicContact CG2-CG2 3.81Å; I317-Y325 CarbonylContact C-O 3.53Å; I317-Y325 WeakPolarHBondContact CA-O 3.31Å; I317-R326 HydrophobicContact CD1-CB 3.74Å; I317-R326 HydrophobicContact CD1-CG 3.66Å |
| 318 | L | 97.2 | Very high | 82.9 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.6 | 165.2 | 169.8 | 74.1 | 0 | 0 | 0 | 108.5 | M10 V11 V315 T324 Y325 I398 | M10-L318 CarbonylContact O-C 3.59Å; M10-L318 WeakPolarHBondContact O-CA 3.25Å; V11-L318 HydrophobicContact CG2-CD1 3.68Å; V315-L318 HydrophobicContact CG1-CB 4.44Å; L318-T324 CarbonylContact O-C 3.54Å; L318-T324 WeakPolarHBondContact O-CA 3.38Å; L318-Y325 HydrophobicContact CD2-CD2 4.09Å; L318-Y325 HydrophobicContact CG-CD2 4.29Å; L318-Y325 PolarHBondContact N-O 3.1Å; L318-Y325 PolarHBondContact O-N 2.85Å; L318-I398 HydrophobicContact CD2-CD1 3.37Å; L318-I398 HydrophobicContact CD2-CG1 4.02Å |
| 319 | W | 96.6 | Very high | 85.1 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.5 | 167.3 | 178.8 | 90.8 | 0 | 0 | 0 | 109.5 | A4 V7 S9 M10 F77 V323 | A4-W319 HydrophobicContact CB-CH2 4.01Å; A4-W319 HydrophobicContact CB-CZ3 4.5Å; V7-W319 HydrophobicContact CB-CZ3 4.27Å; V7-W319 HydrophobicContact CG1-CE3 4.43Å; V7-W319 HydrophobicContact CG1-CZ3 3.84Å; S9-W319 CarbonylContact C-O 3.53Å; S9-W319 VanDerWaalsContact CA-O 3.26Å; S9-W319 WeakPolarHBondContact CA-O 3.12Å; M10-W319 HydrophobicContact CB-CB 4.38Å; M10-W319 HydrophobicContact CE-CB 4.36Å; M10-W319 HydrophobicContact CE-CD2 3.6Å; M10-W319 HydrophobicContact CE-CE3 3.32Å; M10-W319 HydrophobicContact CE-CG 4.06Å; M10-W319 HydrophobicContact CE-CH2 4.5Å; M10-W319 HydrophobicContact CE-CZ3 3.83Å; M10-W319 HydrophobicContact CG-CE3 4.35Å; M10-W319 PolarHBondContact N-O 3.5Å; M10-W319 PolarHBondContact O-N 3.16Å; F77-W319 HydrophobicContact CE2-CB 3.7Å; F77-W319 HydrophobicContact CZ-CB 4.27Å; W319-V323 WeakPolarHBondContact CA-O 3.38Å |
| 320 | C | 93.1 | Very high | 87.2 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 140.7 | 172.7 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | G322 V323 R394 | C320-G322 PolarHBondContact O-N 2.89Å; C320-G322 VanDerWaalsContact O-N 3.16Å; C320-V323 PolarHBondContact N-O 2.88Å; C320-V323 PolarHBondContact O-N 2.96Å; C320-R394 PolarHBondContact SG-NH1 3.29Å; C320-R394 VanDerWaalsContact SG-NH1 3.43Å |
| 321 | Q | 88.2 | Confident | 88.8 | Confident | 150 Ų | 150 | 42.5 Ų | 42.5 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36.3 | 176.2 | -58.5 | 169.6 | -5.5 | 0 | 0 | 113.4 | V323 | Q321-V323 VanDerWaalsContact C-N 3.26Å; Q321-V323 PolarHBondContact O-N 2.85Å |
| 322 | G | 89.8 | Confident | 90.3 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -10.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | C320 | C320-G322 PolarHBondContact O-N 2.89Å; C320-G322 VanDerWaalsContact O-N 3.16Å |
| 323 | V | 95.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.6 | -177.8 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | W319 C320 Q321 Y325 V337 I391 | W319-V323 WeakPolarHBondContact CA-O 3.38Å; C320-V323 PolarHBondContact N-O 2.88Å; C320-V323 PolarHBondContact O-N 2.96Å; Q321-V323 VanDerWaalsContact C-N 3.26Å; Q321-V323 PolarHBondContact O-N 2.85Å; V323-Y325 HydrophobicContact CB-CE2 3.79Å; V323-Y325 HydrophobicContact CG1-CD2 4.23Å; V323-Y325 HydrophobicContact CG1-CE1 4.28Å; V323-Y325 HydrophobicContact CG1-CE2 3.52Å; V323-V337 HydrophobicContact CG1-CG1 3.37Å; V323-I391 HydrophobicContact CG1-CD1 4.27Å; V323-I391 HydrophobicContact CG1-CG2 4.34Å; V323-I391 HydrophobicContact CG2-CD1 3.75Å; V323-I391 HydrophobicContact CG2-CG1 4.32Å |
| 324 | T | 97.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.4 | 173.6 | -51.8 | 0 | 0 | 0 | 0 | 110 | Y81 I317 L318 V337 S338 | Y81-T324 HydrophobicContact CE1-CG2 4.41Å; Y81-T324 WeakPolarHBondContact OH-CG2 3.49Å; I317-T324 HydrophobicContact CG2-CG2 3.81Å; L318-T324 CarbonylContact O-C 3.54Å; L318-T324 WeakPolarHBondContact O-CA 3.38Å; T324-V337 CarbonylContact O-C 3.55Å; T324-V337 VanDerWaalsContact O-CA 3.3Å; T324-V337 WeakPolarHBondContact O-CA 3.43Å; T324-V337 WeakPolarHBondContact O-CG1 3.35Å; T324-S338 PolarHBondContact N-O 2.87Å; T324-S338 PolarHBondContact O-N 3.08Å |
| 325 | Y | 97.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.7 | 172.7 | -54.5 | -101.5 | 0 | 0 | 0 | 107.4 | I317 L318 V323 E336 V337 I391 R394 A395 I398 | I317-Y325 CarbonylContact C-O 3.53Å; I317-Y325 WeakPolarHBondContact CA-O 3.31Å; L318-Y325 HydrophobicContact CD2-CD2 4.09Å; L318-Y325 HydrophobicContact CG-CD2 4.29Å; L318-Y325 PolarHBondContact N-O 3.1Å; L318-Y325 PolarHBondContact O-N 2.85Å; V323-Y325 HydrophobicContact CB-CE2 3.79Å; V323-Y325 HydrophobicContact CG1-CD2 4.23Å; V323-Y325 HydrophobicContact CG1-CE1 4.28Å; V323-Y325 HydrophobicContact CG1-CE2 3.52Å; Y325-E336 CarbonylContact C-O 3.53Å; Y325-E336 WeakPolarHBondContact CA-O 3.35Å; Y325-V337 HydrophobicContact CD1-CB 4.44Å; Y325-V337 HydrophobicContact CD1-CG1 3.92Å; Y325-V337 HydrophobicContact CD1-CG2 3.75Å; Y325-V337 HydrophobicContact CE1-CG1 3.82Å; Y325-V337 HydrophobicContact CE1-CG2 4.09Å; Y325-V337 HydrophobicContact CG-CG1 4.47Å; Y325-I391 HydrophobicContact CE1-CG2 4.24Å; Y325-R394 HydrophobicContact CE1-CB 4.18Å; Y325-R394 HydrophobicContact CE1-CG 4.23Å; Y325-R394 PolarHBondContact OH-NH1 3.37Å; Y325-A395 HydrophobicContact CD1-CB 3.98Å; Y325-A395 HydrophobicContact CE1-CB 4.03Å; Y325-I398 HydrophobicContact CD1-CD1 3.59Å; Y325-I398 HydrophobicContact CD2-CD1 4.16Å; Y325-I398 HydrophobicContact CE1-CD1 4.15Å; Y325-I398 HydrophobicContact CG-CD1 3.62Å |
| 326 | R | 97.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.1 | 179.7 | 170.7 | -175.3 | -66.1 | 141.6 | -3.4 | 108.6 | H220 H221 I317 L328 V335 E336 | H220-R326 PolarHBondContact ND1-NH2 3.18Å; H220-R326 PolarHBondContact O-NH2 3.25Å; H221-R326 VanDerWaalsContact C-NH1 3.33Å; H221-R326 PolarHBondContact O-NH1 2.87Å; I317-R326 HydrophobicContact CD1-CB 3.74Å; I317-R326 HydrophobicContact CD1-CG 3.66Å; R326-L328 HydrophobicContact CG-CD2 3.81Å; R326-V335 CarbonylContact O-C 3.54Å; R326-V335 WeakPolarHBondContact O-CA 3.38Å; R326-E336 HydrophobicContact CB-CB 4.39Å; R326-E336 IonicContact CZ-OE1 3.72Å; R326-E336 PolarHBondContact N-O 3.44Å; R326-E336 IonicContact NH1-OE1 3.73Å; R326-E336 PolarHBondContact NH1-OE1 3.19Å; R326-E336 PolarHBondContact O-N 3.07Å |
| 327 | I | 96.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129 | 168.2 | -58.6 | -56.2 | 0 | 0 | 0 | 109 | V315 K316 P333 V334 V335 I398 L399 Y402 | V315-I327 WeakPolarHBondContact O-CB 3.45Å; V315-I327 WeakPolarHBondContact O-CG1 3.32Å; K316-I327 PolarHBondContact O-N 3.47Å; I327-P333 HydrophobicContact CG2-CB 4.48Å; I327-V334 WeakPolarHBondContact CA-O 3.23Å; I327-V335 HydrophobicContact CD1-CB 3.83Å; I327-V335 HydrophobicContact CD1-CG2 3.98Å; I327-I398 HydrophobicContact CD1-CG2 3.95Å; I327-I398 HydrophobicContact CG1-CG2 4.45Å; I327-L399 HydrophobicContact CD1-CD1 4.46Å; I327-Y402 HydrophobicContact CB-CD2 4.22Å; I327-Y402 HydrophobicContact CB-CE2 4.23Å; I327-Y402 HydrophobicContact CG1-CD2 3.97Å; I327-Y402 HydrophobicContact CG1-CE2 4.47Å; I327-Y402 HydrophobicContact CG1-CG 4.27Å; I327-Y402 HydrophobicContact CG2-CD1 3.91Å; I327-Y402 HydrophobicContact CG2-CD2 3.73Å; I327-Y402 HydrophobicContact CG2-CE1 3.78Å; I327-Y402 HydrophobicContact CG2-CE2 3.57Å; I327-Y402 HydrophobicContact CG2-CG 3.91Å |
| 328 | L | 93.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 33 Ų | 33 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 103.7 | 168.3 | -51.2 | -178.2 | 0 | 0 | 0 | 107.4 | F224 A225 R326 G330 P333 V334 | F224-L328 HydrophobicContact CB-CD1 3.87Å; F224-L328 HydrophobicContact CD1-CD1 3.88Å; F224-L328 HydrophobicContact CG-CD1 4.27Å; A225-L328 HydrophobicContact CB-CD2 3.97Å; R326-L328 HydrophobicContact CG-CD2 3.81Å; L328-G330 PolarHBondContact O-N 2.67Å; L328-P333 WeakPolarHBondContact O-CA 3.39Å; L328-V334 HydrophobicContact CB-CG2 3.64Å; L328-V334 HydrophobicContact CD1-CG2 3.67Å; L328-V334 HydrophobicContact CG-CG2 3.91Å; L328-V334 PolarHBondContact N-O 2.63Å; L328-V334 PolarHBondContact O-N 2.81Å |
| 329 | S | 86.5 | Confident | 92.9 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 43% | 0.434 | 19% | 0.186 | S | C | . | . | trans | -76.5 | 19.8 | -163.7 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | Y402 K406 | S329-Y402 WeakPolarHBondContact CB-OH 3.17Å; S329-K406 PolarHBondContact O-NZ 2.84Å | ||
| 330 | G | 82.9 | Confident | 92.5 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 44% | 0.443 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -57.8 | -176.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L328 I332 K406 | L328-G330 PolarHBondContact O-N 2.67Å; G330-I332 PolarHBondContact O-N 2.78Å; G330-K406 PolarHBondContact O-NZ 2.87Å |
| 331 | E | 82.3 | Confident | 92.2 | Very high | 160 Ų | 160 | 35.6 Ų | 35.6 | 75% | 0.748 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -50.5 | -45.5 | 179.8 | -66.9 | -172.8 | 161.7 | 0 | 0 | 111.9 | ||
| 332 | I | 88.4 | Confident | 92 | Very high | 59 Ų | 59 | 29.2 Ų | 29.2 | 30% | 0.303 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -108 | 105.3 | 168.7 | -55.3 | 178.2 | 0 | 0 | 0 | 107.2 | G330 G349 V350 | G330-I332 PolarHBondContact O-N 2.78Å; I332-G349 VanDerWaalsContact CG2-O 3.24Å; I332-G349 WeakPolarHBondContact CG2-O 3.41Å; I332-V350 HydrophobicContact CD1-CG2 3.76Å |
| 333 | P | 92 | Very high | 92.1 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 5% | 0.045 | 18% | 0.177 | C | C | . | . | trans | -64 | 140 | 179.4 | -24.3 | 36.8 | 0 | 0 | 0 | 111.3 | I327 L328 L399 Y402 N403 K406 | I327-P333 HydrophobicContact CG2-CB 4.48Å; L328-P333 WeakPolarHBondContact O-CA 3.39Å; P333-L399 HydrophobicContact CB-CD1 3.97Å; P333-Y402 HydrophobicContact CB-CD1 3.85Å; P333-Y402 HydrophobicContact CB-CE1 3.67Å; P333-Y402 HydrophobicContact CG-CD1 4.08Å; P333-Y402 HydrophobicContact CG-CE1 3.65Å; P333-N403 WeakPolarHBondContact CG-OD1 3.39Å; P333-K406 HydrophobicContact CG-CD 3.98Å | ||
| 334 | V | 95.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 7% | 0.073 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 150.6 | 171.1 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | I327 L328 S347 G349 | I327-V334 WeakPolarHBondContact CA-O 3.23Å; L328-V334 HydrophobicContact CB-CG2 3.64Å; L328-V334 HydrophobicContact CD1-CG2 3.67Å; L328-V334 HydrophobicContact CG-CG2 3.91Å; L328-V334 PolarHBondContact N-O 2.63Å; L328-V334 PolarHBondContact O-N 2.81Å; V334-S347 WeakPolarHBondContact CA-OG 3.36Å; V334-S347 WeakPolarHBondContact CB-OG 3.21Å; V334-G349 VanDerWaalsContact CG1-CA 3.48Å |
| 335 | V | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.8 | 169.4 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | R326 I327 V337 R346 S347 F355 A395 L399 | R326-V335 CarbonylContact O-C 3.54Å; R326-V335 WeakPolarHBondContact O-CA 3.38Å; I327-V335 HydrophobicContact CD1-CB 3.83Å; I327-V335 HydrophobicContact CD1-CG2 3.98Å; V335-V337 HydrophobicContact CG2-CG2 4.26Å; V335-R346 WeakPolarHBondContact O-CA 3.15Å; V335-S347 PolarHBondContact N-OG 3.33Å; V335-S347 PolarHBondContact O-N 3.35Å; V335-S347 PolarHBondContact O-OG 3.13Å; V335-F355 HydrophobicContact CG1-CE1 3.89Å; V335-F355 HydrophobicContact CG1-CZ 4.43Å; V335-A395 HydrophobicContact CG1-CB 3.86Å; V335-A395 HydrophobicContact CG2-CB 4.07Å; V335-L399 HydrophobicContact CB-CB 4.32Å; V335-L399 HydrophobicContact CG1-CB 4.06Å; V335-L399 HydrophobicContact CG1-CD2 4.2Å |
| 336 | E | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.1 | 172.1 | -174.5 | 178 | 82.4 | 0 | 0 | 108.5 | S222 Y325 R326 V344 I345 R346 | S222-E336 VanDerWaalsContact CB-OE1 3.26Å; S222-E336 WeakPolarHBondContact CB-OE1 3.26Å; S222-E336 PolarHBondContact OG-OE1 3.49Å; S222-E336 PolarHBondContact OG-OE2 3.42Å; Y325-E336 CarbonylContact C-O 3.53Å; Y325-E336 WeakPolarHBondContact CA-O 3.35Å; R326-E336 HydrophobicContact CB-CB 4.39Å; R326-E336 IonicContact CZ-OE1 3.72Å; R326-E336 PolarHBondContact N-O 3.44Å; R326-E336 IonicContact NH1-OE1 3.73Å; R326-E336 PolarHBondContact NH1-OE1 3.19Å; R326-E336 PolarHBondContact O-N 3.07Å; E336-V344 HydrophobicContact CG-CG1 3.37Å; E336-I345 CarbonylContact C-O 3.5Å; E336-R346 IonicContact OE2-CZ 3.74Å; E336-R346 IonicContact OE2-NE 2.81Å; E336-R346 PolarHBondContact OE2-NE 3.08Å; E336-R346 IonicContact OE2-NH2 3.35Å; E336-R346 PolarHBondContact OE2-NH2 3.31Å |
| 337 | V | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.2 | -175.7 | -167.2 | 0 | 0 | 0 | 0 | 109.6 | V323 T324 Y325 V335 P339 V344 I345 I391 A395 | V323-V337 HydrophobicContact CG1-CG1 3.37Å; T324-V337 CarbonylContact O-C 3.55Å; T324-V337 VanDerWaalsContact O-CA 3.3Å; T324-V337 WeakPolarHBondContact O-CA 3.43Å; T324-V337 WeakPolarHBondContact O-CG1 3.35Å; Y325-V337 HydrophobicContact CD1-CB 4.44Å; Y325-V337 HydrophobicContact CD1-CG1 3.92Å; Y325-V337 HydrophobicContact CD1-CG2 3.75Å; Y325-V337 HydrophobicContact CE1-CG1 3.82Å; Y325-V337 HydrophobicContact CE1-CG2 4.09Å; Y325-V337 HydrophobicContact CG-CG1 4.47Å; V335-V337 HydrophobicContact CG2-CG2 4.26Å; V337-P339 WeakPolarHBondContact O-CD 3.31Å; V337-V344 WeakPolarHBondContact O-CA 3.32Å; V337-I345 HydrophobicContact CB-CB 4.24Å; V337-I345 PolarHBondContact N-O 3.35Å; V337-I345 PolarHBondContact O-N 3.01Å; V337-I391 HydrophobicContact CB-CG2 4.38Å; V337-I391 HydrophobicContact CG1-CG2 3.54Å; V337-A395 HydrophobicContact CG2-CB 3.63Å |
| 338 | S | 95.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104.1 | 173.9 | -44.3 | 0 | 0 | 0 | 0 | 108.5 | E144 T324 G340 | E144-S338 WeakPolarHBondContact OE2-CB 3.44Å; E144-S338 PolarHBondContact OE2-OG 3.44Å; T324-S338 PolarHBondContact N-O 2.87Å; T324-S338 PolarHBondContact O-N 3.08Å; S338-G340 VanDerWaalsContact C-N 3.25Å; S338-G340 PolarHBondContact O-N 3.4Å |
| 339 | P | 93.3 | Very high | 91 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | trans | -70.5 | -19.7 | 178.4 | -20.1 | 35.2 | 0 | 0 | 0 | 113.8 | V337 S343 I345 Y386 I391 | V337-P339 WeakPolarHBondContact O-CD 3.31Å; P339-S343 VanDerWaalsContact CD-O 3.23Å; P339-S343 WeakPolarHBondContact CD-O 3.43Å; P339-I345 HydrophobicContact CG-CD1 4.44Å; P339-Y386 HydrophobicContact CB-CD1 3.66Å; P339-Y386 HydrophobicContact CB-CD2 4.3Å; P339-Y386 HydrophobicContact CB-CE1 3.36Å; P339-Y386 HydrophobicContact CB-CE2 4.01Å; P339-Y386 HydrophobicContact CB-CG 4.13Å; P339-Y386 HydrophobicContact CG-CE1 3.96Å; P339-Y386 HydrophobicContact CG-CE2 3.92Å; P339-I391 HydrophobicContact CB-CD1 4.41Å | ||
| 340 | G | 87.9 | Confident | 90.6 | Very high | 70 Ų | 70 | 28 Ų | 28 | 72% | 0.722 | 18% | 0.181 | S | C | * | . | S | Bend | trans | 103.3 | 4.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S338 | S338-G340 VanDerWaalsContact C-N 3.25Å; S338-G340 PolarHBondContact O-N 3.4Å |
| 341 | D | 86.4 | Confident | 90.5 | Very high | 57 Ų | 57 | 29 Ų | 29 | 31% | 0.305 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -99.2 | 8.3 | 175.5 | 66.6 | -19.7 | 0 | 0 | 0 | 113.2 | S343 L385 Y386 | D341-S343 VanDerWaalsContact C-N 3.3Å; D341-S343 VanDerWaalsContact CG-OG 3.29Å; D341-S343 VanDerWaalsContact OD1-CB 3.31Å; D341-S343 WeakPolarHBondContact OD1-CB 3.46Å; D341-S343 PolarHBondContact OD1-N 2.91Å; D341-S343 PolarHBondContact OD1-OG 2.93Å; D341-S343 PolarHBondContact OD2-OG 3.41Å; D341-L385 HydrophobicContact CB-CD1 4.02Å; D341-Y386 VanDerWaalsContact OD2-CE1 3.25Å; D341-Y386 WeakPolarHBondContact OD2-CE1 3.42Å; D341-Y386 PolarHBondContact OD2-OH 2.89Å |
| 342 | G | 85.3 | Confident | 90.4 | Very high | 17 Ų | 17 | 22.9 Ų | 22.9 | 18% | 0.175 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 83.5 | -1.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S141 | S141-G342 VanDerWaalsContact CB-O 3.27Å; S141-G342 WeakPolarHBondContact CB-O 3.09Å; S141-G342 PolarHBondContact OG-O 2.87Å |
| 343 | S | 90.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -83.5 | 158.2 | 167.8 | 73.6 | 0 | 0 | 0 | 0 | 111.6 | P339 D341 H357 H358 Y386 | P339-S343 VanDerWaalsContact CD-O 3.23Å; P339-S343 WeakPolarHBondContact CD-O 3.43Å; D341-S343 VanDerWaalsContact C-N 3.3Å; D341-S343 VanDerWaalsContact CG-OG 3.29Å; D341-S343 VanDerWaalsContact OD1-CB 3.31Å; D341-S343 WeakPolarHBondContact OD1-CB 3.46Å; D341-S343 PolarHBondContact OD1-N 2.91Å; D341-S343 PolarHBondContact OD1-OG 2.93Å; D341-S343 PolarHBondContact OD2-OG 3.41Å; S343-H357 WeakPolarHBondContact CB-NE2 3.42Å; S343-H357 PolarHBondContact OG-NE2 3.44Å; S343-H358 VanDerWaalsContact CA-O 3.26Å; S343-H358 WeakPolarHBondContact CA-O 3.41Å; S343-H358 WeakPolarHBondContact CB-O 3.46Å; S343-Y386 PolarHBondContact OG-OH 3.2Å | ||
| 344 | V | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.7 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | E143 E144 E336 V337 H358 | E143-V344 HydrophobicContact CB-CB 3.75Å; E143-V344 HydrophobicContact CB-CG1 4.12Å; E143-V344 HydrophobicContact CB-CG2 3.76Å; E143-V344 HydrophobicContact CG-CB 4.33Å; E144-V344 HydrophobicContact CB-CG2 4.2Å; E144-V344 HydrophobicContact CG-CG2 3.79Å; E336-V344 HydrophobicContact CG-CG1 3.37Å; V337-V344 WeakPolarHBondContact O-CA 3.32Å; V344-H358 PolarHBondContact N-O 2.92Å; V344-H358 PolarHBondContact O-N 3.32Å |
| 345 | I | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.2 | 172.4 | -53.2 | 172 | 0 | 0 | 0 | 108.5 | E336 V337 P339 F355 T356 H357 Y386 I391 V392 | E336-I345 CarbonylContact C-O 3.5Å; V337-I345 HydrophobicContact CB-CB 4.24Å; V337-I345 PolarHBondContact N-O 3.35Å; V337-I345 PolarHBondContact O-N 3.01Å; P339-I345 HydrophobicContact CG-CD1 4.44Å; I345-F355 HydrophobicContact CG2-CB 3.97Å; I345-F355 HydrophobicContact CG2-CD1 4.08Å; I345-F355 HydrophobicContact CG2-CG 4.49Å; I345-T356 CarbonylContact C-O 3.49Å; I345-T356 VanDerWaalsContact CA-O 3.32Å; I345-T356 WeakPolarHBondContact CA-O 3.26Å; I345-H357 HydrophobicContact CG1-CB 3.98Å; I345-Y386 HydrophobicContact CD1-CE2 4.44Å; I345-I391 HydrophobicContact CD1-CG2 4.44Å; I345-V392 HydrophobicContact CD1-CG2 4.44Å; I345-V392 HydrophobicContact CG2-CG2 4.13Å |
| 346 | R | 95.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.5 | -178 | -168 | -178.9 | -64.2 | 123.5 | -1.6 | 111.1 | E143 V335 E336 F355 T356 | E143-R346 IonicContact OE2-CZ 2.8Å; E143-R346 IonicContact OE2-NH1 3.83Å; E143-R346 PolarHBondContact OE2-NH1 3.22Å; E143-R346 IonicContact OE2-NH2 2.89Å; E143-R346 PolarHBondContact OE2-NH2 3.42Å; V335-R346 WeakPolarHBondContact O-CA 3.15Å; E336-R346 IonicContact OE2-CZ 3.74Å; E336-R346 IonicContact OE2-NE 2.81Å; E336-R346 PolarHBondContact OE2-NE 3.08Å; E336-R346 IonicContact OE2-NH2 3.35Å; E336-R346 PolarHBondContact OE2-NH2 3.31Å; R346-F355 CarbonylContact O-C 3.53Å; R346-F355 VanDerWaalsContact O-CA 3.28Å; R346-F355 WeakPolarHBondContact O-CA 3.37Å; R346-T356 PolarHBondContact N-O 2.56Å; R346-T356 PolarHBondContact O-N 3.05Å |
| 347 | S | 95.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 139.8 | 169.7 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | V334 V335 G349 | V334-S347 WeakPolarHBondContact CA-OG 3.36Å; V334-S347 WeakPolarHBondContact CB-OG 3.21Å; V335-S347 PolarHBondContact N-OG 3.33Å; V335-S347 PolarHBondContact O-N 3.35Å; V335-S347 PolarHBondContact O-OG 3.13Å; S347-G349 PolarHBondContact O-N 3.36Å |
| 348 | N | 89.3 | Confident | 90.1 | Very high | 60 Ų | 60 | 26.7 Ų | 26.7 | 32% | 0.321 | 16% | 0.164 | S | C | . | . | trans | -72.6 | 127.7 | 169.4 | -168.5 | -44.9 | 0 | 0 | 0 | 108.5 | L351 N352 Y354 | N348-L351 HydrophobicContact CB-CB 4.12Å; N348-L351 WeakPolarHBondContact CB-O 3.44Å; N348-L351 CarbonylContact O-C 3.55Å; N348-L351 VanDerWaalsContact O-O 3.11Å; N348-N352 WeakPolarHBondContact O-CA 3.3Å; N348-N352 PolarHBondContact O-N 2.8Å; N348-Y354 PolarHBondContact N-O 3.03Å | ||
| 349 | G | 81.5 | Confident | 89.8 | Confident | 17 Ų | 17 | 29.5 Ų | 29.5 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -59.5 | -60.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I332 V334 S347 L351 | I332-G349 VanDerWaalsContact CG2-O 3.24Å; I332-G349 WeakPolarHBondContact CG2-O 3.41Å; V334-G349 VanDerWaalsContact CG1-CA 3.48Å; S347-G349 PolarHBondContact O-N 3.36Å; G349-L351 VanDerWaalsContact C-N 3.35Å |
| 350 | V | 78.8 | Confident | 89.2 | Confident | 38 Ų | 38 | 29.9 Ų | 29.9 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -68.4 | -41 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 110 | I332 N352 K459 | I332-V350 HydrophobicContact CD1-CG2 3.76Å; V350-N352 PolarHBondContact O-N 3.24Å; V350-K459 HydrophobicContact CG2-CG 4.43Å |
| 351 | L | 81.4 | Confident | 88.3 | Confident | 65 Ų | 65 | 32.1 Ų | 32.1 | 34% | 0.34 | 17% | 0.165 | S | C | . | . | trans | -98.1 | 70.2 | -178.7 | -61.4 | 175.5 | 0 | 0 | 0 | 110.3 | N348 G349 S353 Y354 | N348-L351 HydrophobicContact CB-CB 4.12Å; N348-L351 WeakPolarHBondContact CB-O 3.44Å; N348-L351 CarbonylContact O-C 3.55Å; N348-L351 VanDerWaalsContact O-O 3.11Å; G349-L351 VanDerWaalsContact C-N 3.35Å; L351-S353 PolarHBondContact O-N 3.26Å; L351-Y354 HydrophobicContact CB-CD2 3.79Å; L351-Y354 HydrophobicContact CB-CG 4.41Å; L351-Y354 HydrophobicContact CD1-CD2 4.34Å; L351-Y354 PolarHBondContact O-N 3.26Å | ||
| 352 | N | 79.6 | Confident | 87 | Confident | 30 Ų | 30 | 34.5 Ų | 34.5 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -9 | -171.8 | 72.1 | 14.4 | 0 | 0 | 0 | 114.8 | N348 V350 L399 | N348-N352 WeakPolarHBondContact O-CA 3.3Å; N348-N352 PolarHBondContact O-N 2.8Å; V350-N352 PolarHBondContact O-N 3.24Å; N352-L399 HydrophobicContact CB-CD2 4.28Å |
| 353 | S | 88.1 | Confident | 85.1 | Confident | 27 Ų | 27 | 43 Ų | 43 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -9.2 | 173.1 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | L351 L374 | L351-S353 PolarHBondContact O-N 3.26Å; S353-L374 WeakPolarHBondContact O-CG 3.42Å; S353-L374 PolarHBondContact O-N 3.23Å |
| 354 | Y | 94.9 | Very high | 83.1 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 34% | 0.341 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 142.4 | 179 | -70 | -98.6 | 0 | 0 | 0 | 111.1 | N348 L351 M371 Y372 H373 | N348-Y354 PolarHBondContact N-O 3.03Å; L351-Y354 HydrophobicContact CB-CD2 3.79Å; L351-Y354 HydrophobicContact CB-CG 4.41Å; L351-Y354 HydrophobicContact CD1-CD2 4.34Å; L351-Y354 PolarHBondContact O-N 3.26Å; Y354-M371 HydrophobicContact CD1-CG 4.21Å; Y354-M371 HydrophobicContact CD1-SD 3.87Å; Y354-Y372 CarbonylContact C-O 3.51Å; Y354-Y372 WeakPolarHBondContact CA-O 3.27Å; Y354-H373 HydrophobicContact CD1-CB 4.32Å; Y354-H373 AromaticContact CD2-CD2 3.98Å; Y354-H373 HydrophobicContact CE1-CB 4.14Å; Y354-H373 AromaticContact CE1-CD2 3.85Å; Y354-H373 AromaticContact CE2-CD2 3.62Å; Y354-H373 AromaticContact CZ-CD2 3.55Å |
| 355 | F | 96.4 | Very high | 81 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.6 | -179.7 | -71.2 | -104.3 | 0 | 0 | 0 | 109.6 | V335 I345 R346 M371 Y372 L374 V392 A395 | V335-F355 HydrophobicContact CG1-CE1 3.89Å; V335-F355 HydrophobicContact CG1-CZ 4.43Å; I345-F355 HydrophobicContact CG2-CB 3.97Å; I345-F355 HydrophobicContact CG2-CD1 4.08Å; I345-F355 HydrophobicContact CG2-CG 4.49Å; R346-F355 CarbonylContact O-C 3.53Å; R346-F355 VanDerWaalsContact O-CA 3.28Å; R346-F355 WeakPolarHBondContact O-CA 3.37Å; F355-M371 CarbonylContact O-C 3.51Å; F355-M371 WeakPolarHBondContact O-CA 3.5Å; F355-Y372 PolarHBondContact N-O 3Å; F355-Y372 PolarHBondContact O-N 2.71Å; F355-L374 HydrophobicContact CD2-CD2 4.34Å; F355-L374 HydrophobicContact CD2-CG 4.33Å; F355-L374 HydrophobicContact CE2-CD1 4.16Å; F355-L374 HydrophobicContact CE2-CD2 3.75Å; F355-L374 HydrophobicContact CE2-CG 3.81Å; F355-L374 HydrophobicContact CZ-CD2 4.48Å; F355-V392 HydrophobicContact CB-CG1 4.25Å; F355-V392 HydrophobicContact CD1-CG1 4.01Å; F355-V392 HydrophobicContact CD2-CG1 3.47Å; F355-V392 VanDerWaalsContact CD2-CG1 3.47Å; F355-V392 HydrophobicContact CE1-CG1 4.23Å; F355-V392 HydrophobicContact CE2-CG1 3.76Å; F355-V392 HydrophobicContact CG-CG1 3.63Å; F355-V392 HydrophobicContact CZ-CG1 4.12Å; F355-A395 HydrophobicContact CE1-CB 3.88Å; F355-A395 HydrophobicContact CZ-CB 4.44Å |
| 356 | T | 94.9 | Very high | 78.9 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.4 | 173 | -54.8 | 0 | 0 | 0 | 0 | 109 | I345 R346 E369 | I345-T356 CarbonylContact C-O 3.49Å; I345-T356 VanDerWaalsContact CA-O 3.32Å; I345-T356 WeakPolarHBondContact CA-O 3.26Å; R346-T356 PolarHBondContact N-O 2.56Å; R346-T356 PolarHBondContact O-N 3.05Å; T356-E369 HydrophobicContact CG2-CB 4.09Å; T356-E369 HydrophobicContact CG2-CG 4.3Å |
| 357 | H | 94.2 | Very high | 77.4 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 105.5 | 177 | -178.8 | -177.5 | 0 | 0 | 0 | 109.7 | S343 I345 K359 E369 T370 Y372 Y386 | S343-H357 WeakPolarHBondContact CB-NE2 3.42Å; S343-H357 PolarHBondContact OG-NE2 3.44Å; I345-H357 HydrophobicContact CG1-CB 3.98Å; H357-K359 VanDerWaalsContact CE1-CE 3.41Å; H357-K359 WeakPolarHBondContact CE1-CE 3.36Å; H357-K359 WeakPolarHBondContact ND1-CE 3.26Å; H357-K359 WeakPolarHBondContact NE2-CG 3.32Å; H357-E369 VanDerWaalsContact O-CA 3.3Å; H357-E369 WeakPolarHBondContact O-CA 3.27Å; H357-T370 WeakPolarHBondContact CB-O 3.41Å; H357-T370 PolarHBondContact N-O 3.27Å; H357-T370 PolarHBondContact O-N 2.72Å; H357-Y372 HydrophobicContact CB-CD2 4.1Å; H357-Y372 HydrophobicContact CB-CE2 3.41Å; H357-Y372 VanDerWaalsContact CB-CE2 3.41Å; H357-Y372 AromaticContact CG-CE2 3.86Å; H357-Y372 AromaticContact ND1-CE2 3.52Å; H357-Y372 AromaticContact ND1-CZ 3.78Å; H357-Y372 PolarHBondContact ND1-OH 2.89Å; H357-Y372 VanDerWaalsContact ND1-OH 3.13Å; H357-Y386 PolarHBondContact CE1-OH 3.04Å; H357-Y386 VanDerWaalsContact CE1-OH 3.26Å; H357-Y386 PolarHBondContact NE2-OH 3.42Å |
| 358 | H | 92.3 | Very high | 76.3 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 106.7 | 178 | -53.3 | -89.9 | 0 | 0 | 0 | 109.3 | E143 S343 V344 E369 | E143-H358 HydrophobicContact CG-CB 3.44Å; E143-H358 VanDerWaalsContact CG-CB 3.44Å; E143-H358 VanDerWaalsContact CG-CG 3.48Å; E143-H358 IonicContact OE1-ND1 3.3Å; S343-H358 VanDerWaalsContact CA-O 3.26Å; S343-H358 WeakPolarHBondContact CA-O 3.41Å; S343-H358 WeakPolarHBondContact CB-O 3.46Å; V344-H358 PolarHBondContact N-O 2.92Å; V344-H358 PolarHBondContact O-N 3.32Å; H358-E369 IonicContact CE1-OE1 3.97Å; H358-E369 PolarHBondContact CE1-OE1 2.72Å; H358-E369 IonicContact ND1-OE1 2.71Å; H358-E369 PolarHBondContact ND1-OE1 2.85Å |
| 359 | K | 88.3 | Confident | 76.2 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | trans | -97.2 | 142.9 | -176.3 | -69.4 | 173.9 | -179.5 | 163.5 | 0 | 111.3 | H357 R368 T370 | H357-K359 VanDerWaalsContact CE1-CE 3.41Å; H357-K359 WeakPolarHBondContact CE1-CE 3.36Å; H357-K359 WeakPolarHBondContact ND1-CE 3.26Å; H357-K359 WeakPolarHBondContact NE2-CG 3.32Å; K359-R368 PolarHBondContact N-O 2.68Å; K359-T370 PolarHBondContact NZ-OG1 2.84Å; K359-T370 VanDerWaalsContact NZ-OG1 3.16Å | ||
| 360 | P | 81.3 | Confident | 76.6 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 16% | 0.156 | 36% | 0.358 | C | S | . | . | trans | -67.1 | 143.4 | 172.7 | 29.8 | -34.7 | 0 | 0 | 0 | 110.5 | P140 L362 | P140-P360 HydrophobicContact CB-CB 3.88Å; P140-P360 HydrophobicContact CG-CB 4.5Å; P360-L362 VanDerWaalsContact C-N 3.27Å; P360-L362 HydrophobicContact CB-CD1 4.35Å; P360-L362 HydrophobicContact CG-CD1 4.23Å; P360-L362 PolarHBondContact O-N 2.97Å | ||
| 361 | R | 68.3 | Low | 77.3 | Confident | 117 Ų | 117 | 75.4 Ų | 75.4 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | trans | -81.8 | 70.4 | -178.9 | -160.2 | -179.3 | -171 | -170.5 | -2.3 | 111.3 | S248 | S248-R361 PolarHBondContact OG-NH1 2.78Å; S248-R361 PolarHBondContact OG-NH2 2.88Å | ||
| 362 | L | 59.2 | Low | 77.9 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 56% | 0.555 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -99.4 | 88.4 | 174.2 | -69.2 | 163.6 | 0 | 0 | 0 | 108.7 | P360 S364 | P360-L362 VanDerWaalsContact C-N 3.27Å; P360-L362 HydrophobicContact CB-CD1 4.35Å; P360-L362 HydrophobicContact CG-CD1 4.23Å; P360-L362 PolarHBondContact O-N 2.97Å; L362-S364 PolarHBondContact O-N 2.62Å |
| 363 | H | 46.3 | Very low | 78.7 | Confident | 195 Ų | 195 | 74.6 Ų | 74.6 | 90% | 0.903 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 68.4 | 7.1 | 162.6 | -56.9 | -59.9 | 0 | 0 | 0 | 120.9 | ||
| 364 | S | 48.8 | Very low | 78.9 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | trans | -118.7 | 143.6 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 113.3 | L362 E366 | L362-S364 PolarHBondContact O-N 2.62Å; S364-E366 PolarHBondContact O-N 3.09Å; S364-E366 WeakPolarHBondContact OG-CB 3.29Å; S364-E366 PolarHBondContact OG-N 3.34Å; S364-E366 VanDerWaalsContact OG-N 3.16Å | ||
| 365 | E | 50.7 | Low | 78.7 | Confident | 206 Ų | 206 | 76.1 Ų | 76.1 | 96% | 0.963 | 39% | 0.387 | S | S | * | . | trans | -70.5 | -5.6 | 171.3 | -72 | -173.3 | 156.9 | 0 | 0 | 113.4 | ||||
| 366 | E | 52.1 | Low | 78.5 | Confident | 147 Ų | 147 | 80.3 Ų | 80.3 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -74.4 | 131.9 | -178.6 | -158.3 | 166.3 | -163.6 | 0 | 0 | 111.2 | S364 | S364-E366 PolarHBondContact O-N 3.09Å; S364-E366 WeakPolarHBondContact OG-CB 3.29Å; S364-E366 PolarHBondContact OG-N 3.34Å; S364-E366 VanDerWaalsContact OG-N 3.16Å |
| 367 | G | 63.1 | Low | 78.4 | Confident | 43 Ų | 43 | 81 Ų | 81 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | trans | -45.3 | 136.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E369 | G367-E369 PolarHBondContact O-N 3.29Å; G367-E369 VanDerWaalsContact O-N 3.1Å | ||
| 368 | R | 72.9 | Confident | 78.1 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 31% | 0.306 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -56.8 | -26.2 | 178.7 | -64.9 | -174.8 | -167.9 | 157.2 | 2.4 | 113 | L245 K359 | L245-R368 VanDerWaalsContact CD2-CZ 3.41Å; K359-R368 PolarHBondContact N-O 2.68Å |
| 369 | E | 86.4 | Confident | 77.8 | Confident | 119 Ų | 119 | 86.9 Ų | 86.9 | 56% | 0.556 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129 | 179.1 | -61.8 | -173.4 | 170.5 | 0 | 0 | 109.5 | T356 H357 H358 G367 | T356-E369 HydrophobicContact CG2-CB 4.09Å; T356-E369 HydrophobicContact CG2-CG 4.3Å; H357-E369 VanDerWaalsContact O-CA 3.3Å; H357-E369 WeakPolarHBondContact O-CA 3.27Å; H358-E369 IonicContact CE1-OE1 3.97Å; H358-E369 PolarHBondContact CE1-OE1 2.72Å; H358-E369 IonicContact ND1-OE1 2.71Å; H358-E369 PolarHBondContact ND1-OE1 2.85Å; G367-E369 PolarHBondContact O-N 3.29Å; G367-E369 VanDerWaalsContact O-N 3.1Å |
| 370 | T | 91 | Very high | 77.4 | Confident | 38 Ų | 38 | 86.7 Ų | 86.7 | 23% | 0.233 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.2 | 169.9 | -50.5 | 0 | 0 | 0 | 0 | 108.3 | H357 K359 Y372 | H357-T370 WeakPolarHBondContact CB-O 3.41Å; H357-T370 PolarHBondContact N-O 3.27Å; H357-T370 PolarHBondContact O-N 2.72Å; K359-T370 PolarHBondContact NZ-OG1 2.84Å; K359-T370 VanDerWaalsContact NZ-OG1 3.16Å; T370-Y372 HydrophobicContact CG2-CD1 4.27Å; T370-Y372 HydrophobicContact CG2-CE1 3.54Å |
| 371 | M | 93.5 | Very high | 77.2 | Confident | 117 Ų | 117 | 89 Ų | 89 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.8 | 175.9 | -167.6 | 173.9 | -68.3 | 0 | 0 | 110.5 | Y354 F355 | Y354-M371 HydrophobicContact CD1-CG 4.21Å; Y354-M371 HydrophobicContact CD1-SD 3.87Å; F355-M371 CarbonylContact O-C 3.51Å; F355-M371 WeakPolarHBondContact O-CA 3.5Å |
| 372 | Y | 94.2 | Very high | 77.4 | Confident | 25 Ų | 25 | 90 Ų | 90 | 10% | 0.098 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.3 | 175.7 | -56.5 | -59.1 | 0 | 0 | 0 | 110.3 | Y354 F355 H357 T370 P378 V388 V392 | Y354-Y372 CarbonylContact C-O 3.51Å; Y354-Y372 WeakPolarHBondContact CA-O 3.27Å; F355-Y372 PolarHBondContact N-O 3Å; F355-Y372 PolarHBondContact O-N 2.71Å; H357-Y372 HydrophobicContact CB-CD2 4.1Å; H357-Y372 HydrophobicContact CB-CE2 3.41Å; H357-Y372 VanDerWaalsContact CB-CE2 3.41Å; H357-Y372 AromaticContact CG-CE2 3.86Å; H357-Y372 AromaticContact ND1-CE2 3.52Å; H357-Y372 AromaticContact ND1-CZ 3.78Å; H357-Y372 PolarHBondContact ND1-OH 2.89Å; H357-Y372 VanDerWaalsContact ND1-OH 3.13Å; T370-Y372 HydrophobicContact CG2-CD1 4.27Å; T370-Y372 HydrophobicContact CG2-CE1 3.54Å; Y372-P378 HydrophobicContact CD1-CG 4.39Å; Y372-P378 HydrophobicContact CE1-CG 4.08Å; Y372-V388 HydrophobicContact CD2-CG1 3.89Å; Y372-V388 HydrophobicContact CE1-CG1 4.26Å; Y372-V388 HydrophobicContact CE2-CG1 3.46Å; Y372-V388 VanDerWaalsContact CE2-CG1 3.46Å; Y372-V388 HydrophobicContact CG-CG1 4.43Å; Y372-V392 HydrophobicContact CD2-CG2 4.45Å |
| 373 | H | 95 | Very high | 78 | Confident | 53 Ų | 53 | 88.9 Ų | 88.9 | 25% | 0.245 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.3 | 167.9 | 179 | -106.4 | 0 | 0 | 0 | 109.3 | Y354 S375 S376 L377 | Y354-H373 HydrophobicContact CD1-CB 4.32Å; Y354-H373 AromaticContact CD2-CD2 3.98Å; Y354-H373 HydrophobicContact CE1-CB 4.14Å; Y354-H373 AromaticContact CE1-CD2 3.85Å; Y354-H373 AromaticContact CE2-CD2 3.62Å; Y354-H373 AromaticContact CZ-CD2 3.55Å; H373-S375 VanDerWaalsContact CE1-CB 3.46Å; H373-S375 WeakPolarHBondContact CE1-CB 3.25Å; H373-S375 PolarHBondContact CE1-OG 3.1Å; H373-S375 VanDerWaalsContact CE1-OG 3.32Å; H373-S375 PolarHBondContact ND1-N 2.98Å; H373-S375 PolarHBondContact O-N 3.28Å; H373-S375 VanDerWaalsContact O-N 3.15Å; H373-S376 CarbonylContact O-C 3.54Å; H373-S376 PolarHBondContact O-N 2.92Å; H373-L377 PolarHBondContact O-N 2.88Å |
| 374 | L | 92.9 | Very high | 79.3 | Confident | 43 Ų | 43 | 83.4 Ų | 83.4 | 23% | 0.225 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -56.5 | -32.8 | -175.3 | -81.1 | 175.9 | 0 | 0 | 0 | 114.2 | S353 F355 S376 L377 V392 S396 | S353-L374 WeakPolarHBondContact O-CG 3.42Å; S353-L374 PolarHBondContact O-N 3.23Å; F355-L374 HydrophobicContact CD2-CD2 4.34Å; F355-L374 HydrophobicContact CD2-CG 4.33Å; F355-L374 HydrophobicContact CE2-CD1 4.16Å; F355-L374 HydrophobicContact CE2-CD2 3.75Å; F355-L374 HydrophobicContact CE2-CG 3.81Å; F355-L374 HydrophobicContact CZ-CD2 4.48Å; L374-S376 VanDerWaalsContact C-N 3.3Å; L374-L377 HydrophobicContact CD2-CD1 4.47Å; L374-V392 HydrophobicContact CD2-CG1 3.7Å; L374-S396 VanDerWaalsContact CD1-OG 3.28Å; L374-S396 WeakPolarHBondContact CD1-OG 3.35Å |
| 375 | S | 91.9 | Very high | 80.8 | Confident | 104 Ų | 104 | 87 Ų | 87 | 73% | 0.727 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -83.7 | -6.6 | 179.3 | -51.1 | 0 | 0 | 0 | 0 | 113.7 | H373 | H373-S375 VanDerWaalsContact CE1-CB 3.46Å; H373-S375 WeakPolarHBondContact CE1-CB 3.25Å; H373-S375 PolarHBondContact CE1-OG 3.1Å; H373-S375 VanDerWaalsContact CE1-OG 3.32Å; H373-S375 PolarHBondContact ND1-N 2.98Å; H373-S375 PolarHBondContact O-N 3.28Å; H373-S375 VanDerWaalsContact O-N 3.15Å |
| 376 | S | 92.1 | Very high | 82.5 | Confident | 88 Ų | 88 | 78.9 Ų | 78.9 | 62% | 0.615 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -134.3 | 40.8 | -170.9 | -48.1 | 0 | 0 | 0 | 0 | 111.1 | H373 L374 | H373-S376 CarbonylContact O-C 3.54Å; H373-S376 PolarHBondContact O-N 2.92Å; L374-S376 VanDerWaalsContact C-N 3.3Å |
| 377 | L | 92.7 | Very high | 84.3 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 19% | 0.194 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 141.3 | -178.1 | -64.6 | 169.7 | 0 | 0 | 0 | 111 | H373 L374 V392 S393 | H373-L377 PolarHBondContact O-N 2.88Å; L374-L377 HydrophobicContact CD2-CD1 4.47Å; L377-V392 HydrophobicContact CD1-CB 4.38Å; L377-V392 HydrophobicContact CD1-CG1 4.35Å; L377-V392 HydrophobicContact CD2-CB 3.94Å; L377-V392 HydrophobicContact CD2-CG1 3.71Å; L377-V392 HydrophobicContact CD2-CG2 4.42Å; L377-S393 WeakPolarHBondContact CD1-OG 3.48Å |
| 378 | P | 87.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 141.8 | 179.1 | 27 | -34.2 | 0 | 0 | 0 | 110.6 | Y372 V388 | Y372-P378 HydrophobicContact CD1-CG 4.39Å; Y372-P378 HydrophobicContact CE1-CG 4.08Å; P378-V388 HydrophobicContact CG-CB 4.26Å; P378-V388 HydrophobicContact CG-CG1 4.31Å |
| 379 | P | 84.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 70 Ų | 70 | 66% | 0.662 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 151.8 | 173.2 | 28.9 | -34.2 | 0 | 0 | 0 | 110.1 | T381 | P379-T381 PolarHBondContact O-N 3.08Š|
| 380 | G | 80.6 | Confident | 86.9 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 119.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 381 | T | 77.1 | Confident | 87.1 | Confident | 73 Ų | 73 | 66 Ų | 66 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | trans | -105.7 | 144.2 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | P379 G383 Q384 | P379-T381 PolarHBondContact O-N 3.08Å; T381-G383 PolarHBondContact O-N 2.82Å; T381-Q384 PolarHBondContact O-N 2.63Å; T381-Q384 VanDerWaalsContact OG1-CD 3.26Å; T381-Q384 WeakPolarHBondContact OG1-CG 3.26Å; T381-Q384 PolarHBondContact OG1-NE2 3.42Å | ||
| 382 | P | 72.9 | Confident | 87.2 | Confident | 137 Ų | 137 | 60.4 Ų | 60.4 | 89% | 0.89 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 128.5 | 172.2 | -23.3 | 33.4 | 0 | 0 | 0 | 110.8 | ||
| 383 | G | 70.5 | Confident | 87.2 | Confident | 83 Ų | 83 | 61.6 Ų | 61.6 | 86% | 0.856 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -8.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T381 | T381-G383 PolarHBondContact O-N 2.82Š|
| 384 | Q | 75.1 | Confident | 87.1 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | trans | -70.3 | 139.9 | 168.6 | -74.6 | -179.3 | -19.2 | 0 | 0 | 111.3 | T381 Y386 | T381-Q384 PolarHBondContact O-N 2.63Å; T381-Q384 VanDerWaalsContact OG1-CD 3.26Å; T381-Q384 WeakPolarHBondContact OG1-CG 3.26Å; T381-Q384 PolarHBondContact OG1-NE2 3.42Å; Q384-Y386 PolarHBondContact O-N 2.9Å | ||
| 385 | L | 79.3 | Confident | 87.3 | Confident | 147 Ų | 147 | 59.4 Ų | 59.4 | 77% | 0.77 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -62.7 | -32.8 | 176.7 | -65.7 | 177.4 | 0 | 0 | 0 | 112.1 | D341 | D341-L385 HydrophobicContact CB-CD1 4.02Š|
| 386 | Y | 86.8 | Confident | 87.4 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -155.5 | 153.2 | 177.7 | 51 | -95.4 | 0 | 0 | 0 | 111 | P339 D341 S343 I345 H357 Q384 V388 I391 | P339-Y386 HydrophobicContact CB-CD1 3.66Å; P339-Y386 HydrophobicContact CB-CD2 4.3Å; P339-Y386 HydrophobicContact CB-CE1 3.36Å; P339-Y386 HydrophobicContact CB-CE2 4.01Å; P339-Y386 HydrophobicContact CB-CG 4.13Å; P339-Y386 HydrophobicContact CG-CE1 3.96Å; P339-Y386 HydrophobicContact CG-CE2 3.92Å; D341-Y386 VanDerWaalsContact OD2-CE1 3.25Å; D341-Y386 WeakPolarHBondContact OD2-CE1 3.42Å; D341-Y386 PolarHBondContact OD2-OH 2.89Å; S343-Y386 PolarHBondContact OG-OH 3.2Å; I345-Y386 HydrophobicContact CD1-CE2 4.44Å; H357-Y386 PolarHBondContact CE1-OH 3.04Å; H357-Y386 VanDerWaalsContact CE1-OH 3.26Å; H357-Y386 PolarHBondContact NE2-OH 3.42Å; Q384-Y386 PolarHBondContact O-N 2.9Å; Y386-V388 HydrophobicContact CD2-CG2 4.25Å; Y386-V388 HydrophobicContact CE2-CG2 3.9Å; Y386-V388 PolarHBondContact O-N 2.91Å; Y386-V388 VanDerWaalsContact O-N 3.14Å; Y386-I391 HydrophobicContact CD2-CD1 3.39Å; Y386-I391 HydrophobicContact CE2-CD1 4.13Å; Y386-I391 HydrophobicContact CG-CD1 3.78Å |
| 387 | P | 90.2 | Very high | 87.4 | Confident | 62 Ų | 62 | 57 Ų | 57 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | trans | -76.6 | 100.3 | 176.9 | 29.8 | -33.3 | 0 | 0 | 0 | 110.9 | G389 S390 I391 | P387-G389 VanDerWaalsContact C-N 3.28Å; P387-G389 PolarHBondContact O-N 3.03Å; P387-S390 PolarHBondContact O-N 3.26Å; P387-I391 PolarHBondContact O-N 3.33Å; P387-I391 VanDerWaalsContact O-N 3.17Å | ||
| 388 | V | 92 | Very high | 87.4 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -51.6 | -46.4 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | Y372 P378 Y386 S390 I391 V392 | Y372-V388 HydrophobicContact CD2-CG1 3.89Å; Y372-V388 HydrophobicContact CE1-CG1 4.26Å; Y372-V388 HydrophobicContact CE2-CG1 3.46Å; Y372-V388 VanDerWaalsContact CE2-CG1 3.46Å; Y372-V388 HydrophobicContact CG-CG1 4.43Å; P378-V388 HydrophobicContact CG-CB 4.26Å; P378-V388 HydrophobicContact CG-CG1 4.31Å; Y386-V388 HydrophobicContact CD2-CG2 4.25Å; Y386-V388 HydrophobicContact CE2-CG2 3.9Å; Y386-V388 PolarHBondContact O-N 2.91Å; Y386-V388 VanDerWaalsContact O-N 3.14Å; V388-S390 PolarHBondContact O-N 3.18Å; V388-I391 PolarHBondContact O-N 3Å; V388-V392 HydrophobicContact CG1-CG2 4Å; V388-V392 WeakPolarHBondContact O-CB 3.37Å; V388-V392 WeakPolarHBondContact O-CG2 3.2Å; V388-V392 PolarHBondContact O-N 2.86Å |
| 389 | G | 92.7 | Very high | 87.7 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.5 | -49.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P387 I391 V392 S393 | P387-G389 VanDerWaalsContact C-N 3.28Å; P387-G389 PolarHBondContact O-N 3.03Å; G389-I391 VanDerWaalsContact C-N 3.32Å; G389-I391 PolarHBondContact O-N 3.4Å; G389-V392 PolarHBondContact O-N 3.38Å; G389-S393 WeakPolarHBondContact O-CB 3.49Å; G389-S393 PolarHBondContact O-N 2.97Å; G389-S393 PolarHBondContact O-OG 3.25Å |
| 390 | S | 92.3 | Very high | 87.9 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 47% | 0.469 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | P387 V388 R394 | P387-S390 PolarHBondContact O-N 3.26Å; V388-S390 PolarHBondContact O-N 3.18Å; S390-R394 WeakPolarHBondContact O-CB 3.19Å; S390-R394 PolarHBondContact O-N 2.87Å |
| 391 | I | 94.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -49.6 | 178.1 | -70.4 | -174.5 | 0 | 0 | 0 | 110.5 | V323 Y325 V337 P339 I345 Y386 P387 V388 G389 R394 A395 | V323-I391 HydrophobicContact CG1-CD1 4.27Å; V323-I391 HydrophobicContact CG1-CG2 4.34Å; V323-I391 HydrophobicContact CG2-CD1 3.75Å; V323-I391 HydrophobicContact CG2-CG1 4.32Å; Y325-I391 HydrophobicContact CE1-CG2 4.24Å; V337-I391 HydrophobicContact CB-CG2 4.38Å; V337-I391 HydrophobicContact CG1-CG2 3.54Å; P339-I391 HydrophobicContact CB-CD1 4.41Å; I345-I391 HydrophobicContact CD1-CG2 4.44Å; Y386-I391 HydrophobicContact CD2-CD1 3.39Å; Y386-I391 HydrophobicContact CE2-CD1 4.13Å; Y386-I391 HydrophobicContact CG-CD1 3.78Å; P387-I391 PolarHBondContact O-N 3.33Å; P387-I391 VanDerWaalsContact O-N 3.17Å; V388-I391 PolarHBondContact O-N 3Å; G389-I391 VanDerWaalsContact C-N 3.32Å; G389-I391 PolarHBondContact O-N 3.4Å; I391-R394 PolarHBondContact O-N 3.41Å; I391-A395 WeakPolarHBondContact O-CB 3.43Å; I391-A395 PolarHBondContact O-N 2.96Å |
| 392 | V | 95.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | -178.6 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | I345 F355 Y372 L374 L377 V388 G389 R394 A395 S396 | I345-V392 HydrophobicContact CD1-CG2 4.44Å; I345-V392 HydrophobicContact CG2-CG2 4.13Å; F355-V392 HydrophobicContact CB-CG1 4.25Å; F355-V392 HydrophobicContact CD1-CG1 4.01Å; F355-V392 HydrophobicContact CD2-CG1 3.47Å; F355-V392 VanDerWaalsContact CD2-CG1 3.47Å; F355-V392 HydrophobicContact CE1-CG1 4.23Å; F355-V392 HydrophobicContact CE2-CG1 3.76Å; F355-V392 HydrophobicContact CG-CG1 3.63Å; F355-V392 HydrophobicContact CZ-CG1 4.12Å; Y372-V392 HydrophobicContact CD2-CG2 4.45Å; L374-V392 HydrophobicContact CD2-CG1 3.7Å; L377-V392 HydrophobicContact CD1-CB 4.38Å; L377-V392 HydrophobicContact CD1-CG1 4.35Å; L377-V392 HydrophobicContact CD2-CB 3.94Å; L377-V392 HydrophobicContact CD2-CG1 3.71Å; L377-V392 HydrophobicContact CD2-CG2 4.42Å; V388-V392 HydrophobicContact CG1-CG2 4Å; V388-V392 WeakPolarHBondContact O-CB 3.37Å; V388-V392 WeakPolarHBondContact O-CG2 3.2Å; V388-V392 PolarHBondContact O-N 2.86Å; G389-V392 PolarHBondContact O-N 3.38Å; V392-R394 VanDerWaalsContact C-N 3.3Å; V392-R394 PolarHBondContact O-N 2.95Å; V392-A395 WeakPolarHBondContact O-CB 3.45Å; V392-A395 PolarHBondContact O-N 2.95Å; V392-S396 PolarHBondContact O-N 2.84Å |
| 393 | S | 94.1 | Very high | 89.6 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 174.5 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | L377 G389 R397 | L377-S393 WeakPolarHBondContact CD1-OG 3.48Å; G389-S393 WeakPolarHBondContact O-CB 3.49Å; G389-S393 PolarHBondContact O-N 2.97Å; G389-S393 PolarHBondContact O-OG 3.25Å; S393-R397 WeakPolarHBondContact O-CG 3.29Å; S393-R397 PolarHBondContact O-N 3.46Å; S393-R397 PolarHBondContact O-NE 3.46Å |
| 394 | R | 94.2 | Very high | 90.4 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -45.1 | 174 | -171.3 | 179 | -63.6 | 146.6 | -0.1 | 111.1 | C320 Y325 S390 I391 V392 S396 R397 I398 | C320-R394 PolarHBondContact SG-NH1 3.29Å; C320-R394 VanDerWaalsContact SG-NH1 3.43Å; Y325-R394 HydrophobicContact CE1-CB 4.18Å; Y325-R394 HydrophobicContact CE1-CG 4.23Å; Y325-R394 PolarHBondContact OH-NH1 3.37Å; S390-R394 WeakPolarHBondContact O-CB 3.19Å; S390-R394 PolarHBondContact O-N 2.87Å; I391-R394 PolarHBondContact O-N 3.41Å; V392-R394 VanDerWaalsContact C-N 3.3Å; V392-R394 PolarHBondContact O-N 2.95Å; R394-S396 VanDerWaalsContact C-N 3.33Å; R394-S396 PolarHBondContact O-N 2.74Å; R394-R397 PolarHBondContact O-N 3.21Å; R394-I398 HydrophobicContact CG-CD1 3.94Å; R394-I398 HydrophobicContact CG-CG1 4.5Å; R394-I398 WeakPolarHBondContact O-CD1 3.29Å; R394-I398 VanDerWaalsContact O-CG1 3.3Å; R394-I398 WeakPolarHBondContact O-CG1 3.3Å; R394-I398 PolarHBondContact O-N 3.04Å |
| 395 | A | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y325 V335 V337 F355 I391 V392 R397 I398 L399 | Y325-A395 HydrophobicContact CD1-CB 3.98Å; Y325-A395 HydrophobicContact CE1-CB 4.03Å; V335-A395 HydrophobicContact CG1-CB 3.86Å; V335-A395 HydrophobicContact CG2-CB 4.07Å; V337-A395 HydrophobicContact CG2-CB 3.63Å; F355-A395 HydrophobicContact CE1-CB 3.88Å; F355-A395 HydrophobicContact CZ-CB 4.44Å; I391-A395 WeakPolarHBondContact O-CB 3.43Å; I391-A395 PolarHBondContact O-N 2.96Å; V392-A395 WeakPolarHBondContact O-CB 3.45Å; V392-A395 PolarHBondContact O-N 2.95Å; A395-R397 PolarHBondContact O-N 3.3Å; A395-I398 PolarHBondContact O-N 2.88Å; A395-L399 PolarHBondContact O-N 3.21Å |
| 396 | S | 94.7 | Very high | 91.2 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 175 | 171.7 | 0 | 0 | 0 | 0 | 112.4 | L374 V392 R394 I398 L399 V400 | L374-S396 VanDerWaalsContact CD1-OG 3.28Å; L374-S396 WeakPolarHBondContact CD1-OG 3.35Å; V392-S396 PolarHBondContact O-N 2.84Å; R394-S396 VanDerWaalsContact C-N 3.33Å; R394-S396 PolarHBondContact O-N 2.74Å; S396-I398 PolarHBondContact O-N 3.45Å; S396-L399 PolarHBondContact O-N 3.13Å; S396-V400 WeakPolarHBondContact O-CG2 3.42Å; S396-V400 PolarHBondContact O-N 3.16Å |
| 397 | R | 92.7 | Very high | 90.9 | Very high | 121 Ų | 121 | 44 Ų | 44 | 46% | 0.457 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.9 | -72.9 | -176.6 | -65.9 | 174.6 | 0.1 | 112.6 | S393 R394 A395 L399 V400 C401 | S393-R397 WeakPolarHBondContact O-CG 3.29Å; S393-R397 PolarHBondContact O-N 3.46Å; S393-R397 PolarHBondContact O-NE 3.46Å; R394-R397 PolarHBondContact O-N 3.21Å; A395-R397 PolarHBondContact O-N 3.3Å; R397-L399 VanDerWaalsContact C-N 3.32Å; R397-L399 PolarHBondContact O-N 2.96Å; R397-V400 PolarHBondContact O-N 3.1Å; R397-C401 WeakPolarHBondContact O-CB 3.38Å; R397-C401 PolarHBondContact O-N 2.85Å; R397-C401 PolarHBondContact O-SG 3.33Å |
| 398 | I | 92.8 | Very high | 90.5 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 176.9 | -65.5 | 159.7 | 0 | 0 | 0 | 110.3 | L318 Y325 I327 R394 A395 S396 C401 Y402 | L318-I398 HydrophobicContact CD2-CD1 3.37Å; L318-I398 HydrophobicContact CD2-CG1 4.02Å; Y325-I398 HydrophobicContact CD1-CD1 3.59Å; Y325-I398 HydrophobicContact CD2-CD1 4.16Å; Y325-I398 HydrophobicContact CE1-CD1 4.15Å; Y325-I398 HydrophobicContact CG-CD1 3.62Å; I327-I398 HydrophobicContact CD1-CG2 3.95Å; I327-I398 HydrophobicContact CG1-CG2 4.45Å; R394-I398 HydrophobicContact CG-CD1 3.94Å; R394-I398 HydrophobicContact CG-CG1 4.5Å; R394-I398 WeakPolarHBondContact O-CD1 3.29Å; R394-I398 VanDerWaalsContact O-CG1 3.3Å; R394-I398 WeakPolarHBondContact O-CG1 3.3Å; R394-I398 PolarHBondContact O-N 3.04Å; A395-I398 PolarHBondContact O-N 2.88Å; S396-I398 PolarHBondContact O-N 3.45Å; I398-C401 PolarHBondContact O-N 2.92Å; I398-Y402 WeakPolarHBondContact O-CB 3.32Å; I398-Y402 PolarHBondContact O-N 2.86Å |
| 399 | L | 92.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 179.8 | -177.5 | 60.9 | 0 | 0 | 0 | 112.3 | I327 P333 V335 N352 A395 S396 R397 C401 Y402 N403 | I327-L399 HydrophobicContact CD1-CD1 4.46Å; P333-L399 HydrophobicContact CB-CD1 3.97Å; V335-L399 HydrophobicContact CB-CB 4.32Å; V335-L399 HydrophobicContact CG1-CB 4.06Å; V335-L399 HydrophobicContact CG1-CD2 4.2Å; N352-L399 HydrophobicContact CB-CD2 4.28Å; A395-L399 PolarHBondContact O-N 3.21Å; S396-L399 PolarHBondContact O-N 3.13Å; R397-L399 VanDerWaalsContact C-N 3.32Å; R397-L399 PolarHBondContact O-N 2.96Å; L399-C401 VanDerWaalsContact C-N 3.32Å; L399-C401 PolarHBondContact O-N 2.86Å; L399-Y402 PolarHBondContact O-N 3.21Å; L399-N403 WeakPolarHBondContact O-CB 3.36Å; L399-N403 PolarHBondContact O-N 2.66Å; L399-N403 PolarHBondContact O-ND2 3.32Å |
| 400 | V | 90.3 | Very high | 87.8 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 175.9 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | S396 R397 N403 R404 | S396-V400 WeakPolarHBondContact O-CG2 3.42Å; S396-V400 PolarHBondContact O-N 3.16Å; R397-V400 PolarHBondContact O-N 3.1Å; V400-N403 PolarHBondContact O-N 2.96Å; V400-R404 PolarHBondContact O-N 2.96Å |
| 401 | C | 87.8 | Confident | 85.6 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 28% | 0.284 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.7 | -35.9 | -179 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | L310 R397 I398 L399 R404 A405 | L310-C401 HydrophobicContact CB-CB 4.23Å; L310-C401 HydrophobicContact CD1-CB 3.09Å; L310-C401 WeakPolarHBondContact CD1-SG 3.43Å; L310-C401 HydrophobicContact CG-CB 4.24Å; R397-C401 WeakPolarHBondContact O-CB 3.38Å; R397-C401 PolarHBondContact O-N 2.85Å; R397-C401 PolarHBondContact O-SG 3.33Å; I398-C401 PolarHBondContact O-N 2.92Å; L399-C401 VanDerWaalsContact C-N 3.32Å; L399-C401 PolarHBondContact O-N 2.86Å; C401-R404 PolarHBondContact O-N 2.99Å; C401-A405 WeakPolarHBondContact O-CB 3.19Å; C401-A405 PolarHBondContact O-N 2.94Å |
| 402 | Y | 90.1 | Very high | 83.4 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 170 | 179.2 | -87.5 | 0 | 0 | 0 | 111.3 | L314 V315 I327 S329 P333 I398 L399 R404 A405 K406 | L314-Y402 HydrophobicContact CB-CD2 4.39Å; L314-Y402 HydrophobicContact CB-CE2 3.73Å; L314-Y402 HydrophobicContact CD2-CD2 4.06Å; L314-Y402 HydrophobicContact CD2-CE2 3.75Å; L314-Y402 HydrophobicContact CG-CE2 4.18Å; V315-Y402 WeakPolarHBondContact O-CD2 3.23Å; V315-Y402 WeakPolarHBondContact O-CE2 3.44Å; I327-Y402 HydrophobicContact CB-CD2 4.22Å; I327-Y402 HydrophobicContact CB-CE2 4.23Å; I327-Y402 HydrophobicContact CG1-CD2 3.97Å; I327-Y402 HydrophobicContact CG1-CE2 4.47Å; I327-Y402 HydrophobicContact CG1-CG 4.27Å; I327-Y402 HydrophobicContact CG2-CD1 3.91Å; I327-Y402 HydrophobicContact CG2-CD2 3.73Å; I327-Y402 HydrophobicContact CG2-CE1 3.78Å; I327-Y402 HydrophobicContact CG2-CE2 3.57Å; I327-Y402 HydrophobicContact CG2-CG 3.91Å; S329-Y402 WeakPolarHBondContact CB-OH 3.17Å; P333-Y402 HydrophobicContact CB-CD1 3.85Å; P333-Y402 HydrophobicContact CB-CE1 3.67Å; P333-Y402 HydrophobicContact CG-CD1 4.08Å; P333-Y402 HydrophobicContact CG-CE1 3.65Å; I398-Y402 WeakPolarHBondContact O-CB 3.32Å; I398-Y402 PolarHBondContact O-N 2.86Å; L399-Y402 PolarHBondContact O-N 3.21Å; Y402-R404 VanDerWaalsContact C-N 3.32Å; Y402-R404 PolarHBondContact O-N 3.25Å; Y402-A405 PolarHBondContact O-N 2.84Å; Y402-K406 HydrophobicContact CE1-CB 4.33Å; Y402-K406 HydrophobicContact CE1-CD 3.81Å; Y402-K406 WeakPolarHBondContact O-CB 3.35Å; Y402-K406 PolarHBondContact O-N 3.37Å |
| 403 | N | 88.5 | Confident | 81.7 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.15 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.2 | -75.1 | -28.7 | 0 | 0 | 0 | 111.9 | P333 L399 V400 K406 H407 | P333-N403 WeakPolarHBondContact CG-OD1 3.39Å; L399-N403 WeakPolarHBondContact O-CB 3.36Å; L399-N403 PolarHBondContact O-N 2.66Å; L399-N403 PolarHBondContact O-ND2 3.32Å; V400-N403 PolarHBondContact O-N 2.96Å; N403-K406 PolarHBondContact O-N 3.09Å; N403-H407 WeakPolarHBondContact O-CB 3.18Å; N403-H407 PolarHBondContact O-N 2.81Å |
| 404 | R | 87.3 | Confident | 80.1 | Confident | 167 Ų | 167 | 73.6 Ų | 73.6 | 63% | 0.63 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.3 | -50.3 | 173.4 | -169.7 | 178.6 | -173 | -176.6 | 3.3 | 111.2 | V400 C401 Y402 K406 H407 L408 | V400-R404 PolarHBondContact O-N 2.96Å; C401-R404 PolarHBondContact O-N 2.99Å; Y402-R404 VanDerWaalsContact C-N 3.32Å; Y402-R404 PolarHBondContact O-N 3.25Å; R404-K406 PolarHBondContact O-N 3.22Å; R404-H407 PolarHBondContact O-N 3.32Å; R404-L408 HydrophobicContact CG-CD1 4.26Å; R404-L408 VanDerWaalsContact O-CG 3.3Å; R404-L408 WeakPolarHBondContact O-CG 3.31Å; R404-L408 PolarHBondContact O-N 2.85Å |
| 405 | A | 84.4 | Confident | 78.9 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L314 C401 Y402 H407 L408 L409 | L314-A405 HydrophobicContact CD2-CB 4.01Å; C401-A405 WeakPolarHBondContact O-CB 3.19Å; C401-A405 PolarHBondContact O-N 2.94Å; Y402-A405 PolarHBondContact O-N 2.84Å; A405-H407 VanDerWaalsContact C-N 3.3Å; A405-H407 PolarHBondContact O-N 2.88Å; A405-L408 PolarHBondContact O-N 2.9Å; A405-L408 VanDerWaalsContact O-N 3.11Å; A405-L409 WeakPolarHBondContact O-CB 3.4Å; A405-L409 VanDerWaalsContact O-CG 3.25Å; A405-L409 WeakPolarHBondContact O-CG 3.4Å; A405-L409 PolarHBondContact O-N 2.82Å |
| 406 | K | 85.8 | Confident | 78.4 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 176.7 | -173 | 173.2 | 177.3 | 177.7 | 0 | 112 | L314 S329 G330 P333 Y402 N403 R404 | L314-K406 HydrophobicContact CD2-CB 3.83Å; S329-K406 PolarHBondContact O-NZ 2.84Å; G330-K406 PolarHBondContact O-NZ 2.87Å; P333-K406 HydrophobicContact CG-CD 3.98Å; Y402-K406 HydrophobicContact CE1-CB 4.33Å; Y402-K406 HydrophobicContact CE1-CD 3.81Å; Y402-K406 WeakPolarHBondContact O-CB 3.35Å; Y402-K406 PolarHBondContact O-N 3.37Å; N403-K406 PolarHBondContact O-N 3.09Å; R404-K406 PolarHBondContact O-N 3.22Å |
| 407 | H | 81.8 | Confident | 78.1 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 53% | 0.532 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.8 | -33.1 | 176.4 | -174.3 | -95.8 | 0 | 0 | 0 | 113.2 | N403 R404 A405 K410 | N403-H407 WeakPolarHBondContact O-CB 3.18Å; N403-H407 PolarHBondContact O-N 2.81Å; R404-H407 PolarHBondContact O-N 3.32Å; A405-H407 VanDerWaalsContact C-N 3.3Å; A405-H407 PolarHBondContact O-N 2.88Å; H407-K410 PolarHBondContact CE1-NZ 3.45Å; H407-K410 VanDerWaalsContact NE2-CE 3.34Å; H407-K410 WeakPolarHBondContact NE2-CE 3.47Å; H407-K410 PolarHBondContact NE2-NZ 3.04Å; H407-K410 WeakPolarHBondContact O-CG 3.4Å |
| 408 | L | 81.2 | Confident | 77.9 | Confident | 108 Ų | 108 | 69.4 Ų | 69.4 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -73.2 | -30.1 | 176.5 | -68.3 | 171.3 | 0 | 0 | 0 | 112.5 | R404 A405 K410 | R404-L408 HydrophobicContact CG-CD1 4.26Å; R404-L408 VanDerWaalsContact O-CG 3.3Å; R404-L408 WeakPolarHBondContact O-CG 3.31Å; R404-L408 PolarHBondContact O-N 2.85Å; A405-L408 PolarHBondContact O-N 2.9Å; A405-L408 VanDerWaalsContact O-N 3.11Å; L408-K410 PolarHBondContact O-N 3.13Å |
| 409 | L | 73 | Confident | 76.9 | Confident | 78 Ų | 78 | 71.4 Ų | 71.4 | 41% | 0.408 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 29.7 | -178.6 | -70.9 | 167.9 | 0 | 0 | 0 | 114.6 | T312 L314 A405 F411 | T312-L409 WeakPolarHBondContact O-CD1 3.3Å; L314-L409 HydrophobicContact CD1-CD1 3.97Å; L314-L409 HydrophobicContact CD2-CD1 3.74Å; L314-L409 HydrophobicContact CG-CD1 3.47Å; L314-L409 VanDerWaalsContact CG-CD1 3.47Å; A405-L409 WeakPolarHBondContact O-CB 3.4Å; A405-L409 VanDerWaalsContact O-CG 3.25Å; A405-L409 WeakPolarHBondContact O-CG 3.4Å; A405-L409 PolarHBondContact O-N 2.82Å; L409-F411 PolarHBondContact O-N 2.72Å; L409-F411 VanDerWaalsContact O-O 3.08Å |
| 410 | K | 55.1 | Low | 75 | Confident | 154 Ų | 154 | 74.6 Ų | 74.6 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | trans | -59.9 | 7.8 | 176.8 | -79.3 | 177.3 | -171.6 | 179.2 | 0 | 115.4 | H407 L408 | H407-K410 PolarHBondContact CE1-NZ 3.45Å; H407-K410 VanDerWaalsContact NE2-CE 3.34Å; H407-K410 WeakPolarHBondContact NE2-CE 3.47Å; H407-K410 PolarHBondContact NE2-NZ 3.04Å; H407-K410 WeakPolarHBondContact O-CG 3.4Å; L408-K410 PolarHBondContact O-N 3.13Å | ||
| 411 | F | 45.8 | Very low | 73 | Confident | 175 Ų | 175 | 77.9 Ų | 77.9 | 77% | 0.768 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -107.6 | 149.9 | 175.7 | -68.5 | -73.8 | 0 | 0 | 0 | 111.2 | L409 V413 | L409-F411 PolarHBondContact O-N 2.72Å; L409-F411 VanDerWaalsContact O-O 3.08Å; F411-V413 PolarHBondContact O-N 3.22Å |
| 412 | P | 48.5 | Very low | 71.1 | Confident | 113 Ų | 113 | 83.2 Ų | 83.2 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | trans | -55.1 | 132 | -170.6 | 20.5 | -32.4 | 0 | 0 | 0 | 111.7 | I414 | P412-I414 PolarHBondContact O-N 2.93Š| ||
| 413 | V | 58.5 | Low | 68.8 | Low | 104 Ų | 104 | 88.2 Ų | 88.2 | 63% | 0.63 | 43% | 0.429 | S | S | * | . | trans | -47.6 | 107.9 | 177 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | F411 | F411-V413 PolarHBondContact O-N 3.22Š| ||
| 414 | I | 60.8 | Low | 66.6 | Low | 97 Ų | 97 | 91.9 Ų | 91.9 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 129.2 | -179.7 | -57.5 | 167.3 | 0 | 0 | 0 | 107 | W293 R295 P412 | W293-I414 HydrophobicContact CE3-CG2 4.36Å; W293-I414 HydrophobicContact CZ3-CG2 3.86Å; R295-I414 PolarHBondContact NH2-O 2.96Å; P412-I414 PolarHBondContact O-N 2.93Å |
| 415 | P | 70.4 | Confident | 64.2 | Low | 30 Ų | 30 | 88.7 Ų | 88.7 | 20% | 0.195 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 142.1 | -173.3 | -24.6 | 26.9 | 0 | 0 | 0 | 113.2 | W293 R295 Y423 | W293-P415 HydrophobicContact CD2-CB 4.2Å; W293-P415 HydrophobicContact CE3-CB 3.79Å; W293-P415 HydrophobicContact CE3-CG 4.28Å; W293-P415 HydrophobicContact CH2-CB 3.82Å; W293-P415 HydrophobicContact CH2-CG 3.53Å; W293-P415 HydrophobicContact CZ2-CB 4.22Å; W293-P415 HydrophobicContact CZ2-CG 4.23Å; W293-P415 HydrophobicContact CZ3-CB 3.6Å; W293-P415 VanDerWaalsContact CZ3-CD 3.48Å; W293-P415 HydrophobicContact CZ3-CG 3.56Å; R295-P415 PolarHBondContact NH2-O 2.99Å; P415-Y423 HydrophobicContact CB-CE2 4.32Å; P415-Y423 HydrophobicContact CG-CE2 4.28Å |
| 416 | T | 83.6 | Confident | 61.7 | Low | 14 Ų | 14 | 96.7 Ų | 96.7 | 9% | 0.086 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 156.6 | 172.5 | 79.7 | 0 | 0 | 0 | 0 | 108.7 | D15 L418 Q419 | D15-T416 HydrophobicContact CB-CG2 3.5Å; T416-L418 PolarHBondContact O-N 2.83Å; T416-L418 PolarHBondContact OG1-N 2.96Å; T416-Q419 PolarHBondContact O-N 3.15Å |
| 417 | C | 89.8 | Confident | 59.1 | Low | 7 Ų | 7 | 99 Ų | 99 | 5% | 0.047 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.2 | 177.4 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | C33 C288 S290 W293 H294 | C33-C417 VanDerWaalsContact SG-SG 3.65Å; C288-C417 VanDerWaalsContact SG-CB 3.58Å; S290-C417 WeakPolarHBondContact O-CB 3.26Å; W293-C417 HydrophobicContact CB-CB 4.17Å; H294-C417 PolarHBondContact NE2-SG 2.85Å |
| 418 | L | 86.9 | Confident | 56.8 | Low | 53 Ų | 53 | 100.4 Ų | 100.4 | 28% | 0.277 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -16.2 | 175.4 | -64.4 | 175.8 | 0 | 0 | 0 | 113.4 | E16 P32 C33 L284 T416 | E16-L418 HydrophobicContact CB-CD1 4.15Å; E16-L418 HydrophobicContact CG-CD1 4.24Å; E16-L418 WeakPolarHBondContact OE2-CD1 3.31Å; P32-L418 HydrophobicContact CB-CD1 4.09Å; P32-L418 HydrophobicContact CB-CG 4.19Å; C33-L418 HydrophobicContact CB-CD2 3.85Å; L284-L418 HydrophobicContact CD1-CD2 3.92Å; L284-L418 HydrophobicContact CD2-CD2 3.74Å; T416-L418 PolarHBondContact O-N 2.83Å; T416-L418 PolarHBondContact OG1-N 2.96Å |
| 419 | Q | 72.6 | Confident | 54.3 | Low | 62 Ų | 62 | 103.7 Ų | 103.7 | 29% | 0.29 | 53% | 0.526 | S | S | . | . | trans | -96.8 | 12.3 | -169.7 | -74.5 | 178.8 | -8.2 | 0 | 0 | 115.2 | T416 D421 K422 Y423 | T416-Q419 PolarHBondContact O-N 3.15Å; Q419-D421 VanDerWaalsContact C-N 3.27Å; Q419-D421 PolarHBondContact O-N 3.19Å; Q419-D421 VanDerWaalsContact O-N 3.17Å; Q419-K422 PolarHBondContact O-N 3.27Å; Q419-K422 VanDerWaalsContact O-N 3.13Å; Q419-Y423 HydrophobicContact CB-CE2 4.37Å | ||
| 420 | Q | 53.1 | Low | 52.2 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 33% | 0.327 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.7 | -33.5 | -170.7 | -168.6 | 159.2 | -5.1 | 0 | 0 | 113.9 | S290 K422 Y423 I424 | S290-Q420 PolarHBondContact OG-OE1 2.84Å; Q420-K422 VanDerWaalsContact C-N 3.28Å; Q420-K422 PolarHBondContact O-N 3.03Å; Q420-Y423 PolarHBondContact O-N 3.44Å; Q420-I424 HydrophobicContact CG-CD1 3.8Å; Q420-I424 HydrophobicContact CG-CG1 4.46Å; Q420-I424 PolarHBondContact O-N 3.13Å |
| 421 | D | 47.9 | Very low | 50.9 | Low | 129 Ų | 129 | 108.3 Ų | 108.3 | 69% | 0.69 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.6 | -21.2 | -178.4 | -62.3 | -33.2 | 0 | 0 | 0 | 113.8 | Q419 S425 | Q419-D421 VanDerWaalsContact C-N 3.27Å; Q419-D421 PolarHBondContact O-N 3.19Å; Q419-D421 VanDerWaalsContact O-N 3.17Å; D421-S425 PolarHBondContact O-OG 3.22Å; D421-S425 VanDerWaalsContact O-OG 3.1Å |
| 422 | K | 47.4 | Very low | 50 | Low | 155 Ų | 155 | 108.9 Ų | 108.9 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -84.4 | -23.4 | -179.2 | -70.6 | -175.1 | 178.8 | -179.7 | 0 | 113.5 | Q419 Q420 | Q419-K422 PolarHBondContact O-N 3.27Å; Q419-K422 VanDerWaalsContact O-N 3.13Å; Q420-K422 VanDerWaalsContact C-N 3.28Å; Q420-K422 PolarHBondContact O-N 3.03Å |
| 423 | Y | 42.6 | Very low | 49 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 45% | 0.447 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -98.1 | -31.1 | -173.8 | -76.7 | -82.3 | 0 | 0 | 0 | 113.6 | P415 Q419 Q420 S425 K426 T427 | P415-Y423 HydrophobicContact CB-CE2 4.32Å; P415-Y423 HydrophobicContact CG-CE2 4.28Å; Q419-Y423 HydrophobicContact CB-CE2 4.37Å; Q420-Y423 PolarHBondContact O-N 3.44Å; Y423-S425 VanDerWaalsContact C-N 3.31Å; Y423-S425 PolarHBondContact O-N 3.48Å; Y423-K426 PolarHBondContact O-N 3.48Å; Y423-T427 PolarHBondContact O-OG1 3.36Å; Y423-T427 VanDerWaalsContact O-OG1 3.09Å |
| 424 | I | 42.2 | Very low | 47.5 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -38.6 | 176.9 | -62 | 173.9 | 0 | 0 | 0 | 110.3 | Q420 K426 T427 | Q420-I424 HydrophobicContact CG-CD1 3.8Å; Q420-I424 HydrophobicContact CG-CG1 4.46Å; Q420-I424 PolarHBondContact O-N 3.13Å; I424-K426 VanDerWaalsContact C-N 3.26Å; I424-K426 PolarHBondContact O-N 3.29Å; I424-T427 PolarHBondContact O-N 3.09Å |
| 425 | S | 36.4 | Very low | 45.8 | Very low | 100 Ų | 100 | 112.8 Ų | 112.8 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -20.1 | 179.8 | -48 | 0 | 0 | 0 | 0 | 114.4 | D421 Y423 | D421-S425 PolarHBondContact O-OG 3.22Å; D421-S425 VanDerWaalsContact O-OG 3.1Å; Y423-S425 VanDerWaalsContact C-N 3.31Å; Y423-S425 PolarHBondContact O-N 3.48Å |
| 426 | K | 33.5 | Very low | 43.9 | Very low | 176 Ų | 176 | 117.5 Ų | 117.5 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -11.4 | -178.5 | -80.1 | -177.5 | 175.9 | 180 | 0 | 114.5 | Y423 I424 | Y423-K426 PolarHBondContact O-N 3.48Å; I424-K426 VanDerWaalsContact C-N 3.26Å; I424-K426 PolarHBondContact O-N 3.29Å |
| 427 | T | 30.5 | Very low | 41.3 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 73% | 0.73 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -90.8 | -7.7 | -171.7 | -46.6 | 0 | 0 | 0 | 0 | 113.2 | Y423 I424 | Y423-T427 PolarHBondContact O-OG1 3.36Å; Y423-T427 VanDerWaalsContact O-OG1 3.09Å; I424-T427 PolarHBondContact O-N 3.09Å |
| 428 | I | 33.9 | Very low | 38.7 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | -113.9 | 67.3 | 178.4 | -47.3 | 174.9 | 0 | 0 | 0 | 109.7 | ||||
| 429 | Q | 27.2 | Very low | 35.9 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -141.4 | 117.1 | 149.8 | -77.4 | -145.2 | 3.1 | 0 | 0 | 109.2 | K431 | Q429-K431 PolarHBondContact O-N 3.16Š| ||
| 430 | P | 28.9 | Very low | 34 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -67.3 | 123.5 | 171.5 | -7.1 | 21.9 | 0 | 0 | 0 | 108.8 | Q432 | P430-Q432 PolarHBondContact O-N 3.22Å; P430-Q432 VanDerWaalsContact O-N 3.08Å | ||
| 431 | K | 28.4 | Very low | 32.8 | Very low | 207 Ų | 207 | 142.1 Ų | 142.1 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | -56.3 | 111.1 | 170 | -77.8 | 179.4 | 174.1 | 178.1 | 0 | 109.7 | Q429 | Q429-K431 PolarHBondContact O-N 3.16Š| ||
| 432 | Q | 27.1 | Very low | 32 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 132.1 | 155 | -76.5 | -178.8 | -12.3 | 0 | 0 | 108.3 | P430 | P430-Q432 PolarHBondContact O-N 3.22Å; P430-Q432 VanDerWaalsContact O-N 3.08Å |
| 433 | N | 26.4 | Very low | 31.8 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149 | 179.8 | -70.6 | -33 | 0 | 0 | 0 | 111.7 | ||
| 434 | P | 27.6 | Very low | 31.4 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 143.5 | 177.1 | 32.8 | -31.5 | 0 | 0 | 0 | 111.5 | ||
| 435 | P | 25.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 134.8 | 159.7 | 31.1 | -27 | 0 | 0 | 0 | 110.5 | A437 | P435-A437 PolarHBondContact O-N 2.93Š|
| 436 | S | 31.3 | Very low | 31.7 | Very low | 129 Ų | 129 | 139 Ų | 139 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 125.1 | 168.9 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 437 | A | 27.8 | Very low | 32.4 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -157.7 | 112 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P435 K439 | P435-A437 PolarHBondContact O-N 2.93Å; A437-K439 PolarHBondContact O-N 3.43Å | ||
| 438 | V | 36.4 | Very low | 33.5 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -63.3 | 119.5 | 169.3 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 439 | K | 26.3 | Very low | 34.2 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -139.2 | 114.1 | 155.1 | -78.2 | -169.4 | 178.5 | 179.8 | 0 | 109.6 | A437 | A437-K439 PolarHBondContact O-N 3.43Š| ||
| 440 | M | 34.2 | Very low | 35.8 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -60.9 | 141.5 | 159.9 | -80.6 | -75 | 172.6 | 0 | 0 | 110.1 | ||||
| 441 | P | 27.6 | Very low | 37.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -105.1 | 127.2 | 150.6 | 6.4 | 14.1 | 0 | 0 | 0 | 109.9 | ||||
| 442 | Q | 31.5 | Very low | 38.9 | Very low | 182 Ų | 182 | 119 Ų | 119 | 85% | 0.85 | 72% | 0.722 | S | S | * | * | trans | -73.8 | 137.1 | 165.2 | -71.6 | 176.8 | -5.6 | 0 | 0 | 110.1 | ||||
| 443 | T | 42.6 | Very low | 40.7 | Very low | 136 Ų | 136 | 112 Ų | 112 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | 52.8 | 111.1 | 141.4 | -31.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 444 | A | 33.8 | Very low | 43 | Very low | 97 Ų | 97 | 109.3 Ų | 109.3 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | 164.9 | 63.1 | 126.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 445 | G | 37.8 | Very low | 44.7 | Very low | 66 Ų | 66 | 107.8 Ų | 107.8 | 68% | 0.68 | 66% | 0.663 | S | S | * | * | trans | -77.4 | 132.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | L447 | G445-L447 PolarHBondContact O-N 2.99Š| ||
| 446 | S | 48.2 | Very low | 46.7 | Very low | 58 Ų | 58 | 104.9 Ų | 104.9 | 41% | 0.406 | 64% | 0.639 | S | S | . | * | trans | -56.5 | 142.9 | -180 | 78.4 | 0 | 0 | 0 | 0 | 108.8 | S448 D449 A450 | S446-S448 PolarHBondContact O-N 3.38Å; S446-S448 WeakPolarHBondContact OG-CB 3.29Å; S446-D449 PolarHBondContact N-OD2 3.28Å; S446-D449 PolarHBondContact O-N 3.02Å; S446-D449 VanDerWaalsContact OG-CG 3.24Å; S446-D449 PolarHBondContact OG-N 3.02Å; S446-D449 PolarHBondContact OG-OD2 2.83Å; S446-A450 PolarHBondContact O-N 2.81Å | ||
| 447 | L | 47.8 | Very low | 48.8 | Very low | 152 Ų | 152 | 104.4 Ų | 104.4 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -50.2 | -28.7 | 174.7 | -142.3 | 92.4 | 0 | 0 | 0 | 110.9 | G445 V451 | G445-L447 PolarHBondContact O-N 2.99Å; L447-V451 WeakPolarHBondContact O-CB 3.14Å; L447-V451 WeakPolarHBondContact O-CG2 3.4Å; L447-V451 PolarHBondContact O-N 2.85Å |
| 448 | S | 52 | Low | 50.9 | Low | 84 Ų | 84 | 104.5 Ų | 104.5 | 59% | 0.587 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.3 | -38.9 | 174.8 | -168.5 | 0 | 0 | 0 | 0 | 113.9 | S446 A452 | S446-S448 PolarHBondContact O-N 3.38Å; S446-S448 WeakPolarHBondContact OG-CB 3.29Å; S448-A452 WeakPolarHBondContact O-CB 3.36Å; S448-A452 PolarHBondContact O-N 2.77Å |
| 449 | D | 50 | Low | 52.2 | Low | 102 Ų | 102 | 102.4 Ų | 102.4 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.7 | -35.6 | -179 | -60.2 | -47.5 | 0 | 0 | 0 | 111.5 | S446 A453 | S446-D449 PolarHBondContact N-OD2 3.28Å; S446-D449 PolarHBondContact O-N 3.02Å; S446-D449 VanDerWaalsContact OG-CG 3.24Å; S446-D449 PolarHBondContact OG-N 3.02Å; S446-D449 PolarHBondContact OG-OD2 2.83Å; D449-A453 WeakPolarHBondContact O-CB 3.29Å; D449-A453 PolarHBondContact O-N 2.82Å |
| 450 | A | 60.7 | Low | 53.9 | Low | 59 Ų | 59 | 100.3 Ų | 100.3 | 49% | 0.488 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.6 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S446 A453 E454 | S446-A450 PolarHBondContact O-N 2.81Å; A450-A453 PolarHBondContact O-N 3.27Å; A450-E454 WeakPolarHBondContact O-CG 2.92Å; A450-E454 PolarHBondContact O-N 2.84Å |
| 451 | V | 61.4 | Low | 55.3 | Low | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -40.4 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | L447 E454 L455 | L447-V451 WeakPolarHBondContact O-CB 3.14Å; L447-V451 WeakPolarHBondContact O-CG2 3.4Å; L447-V451 PolarHBondContact O-N 2.85Å; V451-E454 PolarHBondContact O-N 2.79Å; V451-L455 HydrophobicContact CG1-CD1 3.98Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CB 3.35Å; V451-L455 WeakPolarHBondContact O-CG 3.33Å; V451-L455 PolarHBondContact O-N 2.89Å |
| 452 | A | 60.9 | Low | 56.9 | Low | 52 Ų | 52 | 95.3 Ų | 95.3 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S448 L455 E456 | S448-A452 WeakPolarHBondContact O-CB 3.36Å; S448-A452 PolarHBondContact O-N 2.77Å; A452-L455 PolarHBondContact O-N 3.17Å; A452-E456 WeakPolarHBondContact O-CB 3.28Å; A452-E456 PolarHBondContact O-N 2.77Å |
| 453 | A | 64.2 | Low | 58.7 | Low | 39 Ų | 39 | 89.7 Ų | 89.7 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | D449 A450 E456 K457 | D449-A453 WeakPolarHBondContact O-CB 3.29Å; D449-A453 PolarHBondContact O-N 2.82Å; A450-A453 PolarHBondContact O-N 3.27Å; A453-E456 WeakPolarHBondContact O-CB 2.97Å; A453-E456 PolarHBondContact O-N 3Å; A453-K457 WeakPolarHBondContact O-CG 3.18Å; A453-K457 PolarHBondContact O-N 3.08Å; A453-K457 VanDerWaalsContact O-N 3.09Å |
| 454 | E | 74.3 | Confident | 59.9 | Low | 98 Ų | 98 | 88.5 Ų | 88.5 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 175.7 | -68.5 | -54 | 137.8 | 0 | 0 | 112.1 | A450 V451 E456 K457 I458 | A450-E454 WeakPolarHBondContact O-CG 2.92Å; A450-E454 PolarHBondContact O-N 2.84Å; V451-E454 PolarHBondContact O-N 2.79Å; E454-E456 PolarHBondContact O-N 3.45Å; E454-K457 WeakPolarHBondContact O-CB 3.28Å; E454-K457 PolarHBondContact O-N 3.49Å; E454-K457 VanDerWaalsContact O-N 3.16Å; E454-K457 IonicContact OE1-NZ 3.43Å; E454-K457 PolarHBondContact OE1-NZ 3.46Å; E454-K457 WeakPolarHBondContact OE2-CD 3.41Å; E454-K457 IonicContact OE2-NZ 3.25Å; E454-I458 WeakPolarHBondContact O-CG1 3.39Å; E454-I458 PolarHBondContact O-N 3.04Å |
| 455 | L | 65.1 | Low | 61.3 | Low | 86 Ų | 86 | 88.2 Ų | 88.2 | 45% | 0.45 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 170.8 | -78.4 | 172.7 | 0 | 0 | 0 | 111.5 | V451 A452 I458 K459 | V451-L455 HydrophobicContact CG1-CD1 3.98Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CB 3.35Å; V451-L455 WeakPolarHBondContact O-CG 3.33Å; V451-L455 PolarHBondContact O-N 2.89Å; A452-L455 PolarHBondContact O-N 3.17Å; L455-I458 PolarHBondContact O-N 3.22Å; L455-K459 WeakPolarHBondContact O-CB 3.42Å; L455-K459 WeakPolarHBondContact O-CG 3.25Å; L455-K459 PolarHBondContact O-N 2.89Å |
| 456 | E | 67.2 | Low | 62.3 | Low | 63 Ų | 63 | 88.8 Ų | 88.8 | 29% | 0.294 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 176.3 | -159.3 | -170.5 | 152.4 | 0 | 0 | 112.1 | A452 A453 E454 K459 R460 | A452-E456 WeakPolarHBondContact O-CB 3.28Å; A452-E456 PolarHBondContact O-N 2.77Å; A453-E456 WeakPolarHBondContact O-CB 2.97Å; A453-E456 PolarHBondContact O-N 3Å; E454-E456 PolarHBondContact O-N 3.45Å; E456-K459 PolarHBondContact O-N 3.32Å; E456-R460 WeakPolarHBondContact O-CG 3.38Å; E456-R460 PolarHBondContact O-N 2.85Å; E456-R460 IonicContact OE1-CZ 2.83Å; E456-R460 VanDerWaalsContact OE1-CZ 3.3Å; E456-R460 IonicContact OE1-NE 3.48Å; E456-R460 PolarHBondContact OE1-NE 3.28Å; E456-R460 IonicContact OE1-NH2 3.85Å; E456-R460 PolarHBondContact OE1-NH2 2.81Å |
| 457 | K | 74.6 | Confident | 62.6 | Low | 119 Ų | 119 | 87.3 Ų | 87.3 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.6 | -70.5 | 171 | -172.2 | 172.9 | 0 | 111.8 | A453 E454 K459 R460 F461 | A453-K457 WeakPolarHBondContact O-CG 3.18Å; A453-K457 PolarHBondContact O-N 3.08Å; A453-K457 VanDerWaalsContact O-N 3.09Å; E454-K457 WeakPolarHBondContact O-CB 3.28Å; E454-K457 PolarHBondContact O-N 3.49Å; E454-K457 VanDerWaalsContact O-N 3.16Å; E454-K457 IonicContact OE1-NZ 3.43Å; E454-K457 PolarHBondContact OE1-NZ 3.46Å; E454-K457 WeakPolarHBondContact OE2-CD 3.41Å; E454-K457 IonicContact OE2-NZ 3.25Å; K457-K459 VanDerWaalsContact C-N 3.34Å; K457-K459 PolarHBondContact O-N 3.04Å; K457-R460 PolarHBondContact O-N 2.88Å; K457-F461 WeakPolarHBondContact O-CB 3.24Å; K457-F461 PolarHBondContact O-N 2.57Å |
| 458 | I | 73.1 | Confident | 63 | Low | 94 Ų | 94 | 84.2 Ų | 84.2 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177.6 | -65.1 | 166.9 | 0 | 0 | 0 | 110.5 | E454 L455 R460 F461 N462 | E454-I458 WeakPolarHBondContact O-CG1 3.39Å; E454-I458 PolarHBondContact O-N 3.04Å; L455-I458 PolarHBondContact O-N 3.22Å; I458-R460 PolarHBondContact O-N 3.2Å; I458-F461 PolarHBondContact O-N 2.89Å; I458-N462 PolarHBondContact O-N 2.91Å |
| 459 | K | 62 | Low | 62.9 | Low | 99 Ų | 99 | 86.5 Ų | 86.5 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.5 | -73.9 | 169.1 | -175.7 | 179 | 0 | 112.2 | V350 L455 E456 K457 F461 N462 F463 | V350-K459 HydrophobicContact CG2-CG 4.43Å; L455-K459 WeakPolarHBondContact O-CB 3.42Å; L455-K459 WeakPolarHBondContact O-CG 3.25Å; L455-K459 PolarHBondContact O-N 2.89Å; E456-K459 PolarHBondContact O-N 3.32Å; K457-K459 VanDerWaalsContact C-N 3.34Å; K457-K459 PolarHBondContact O-N 3.04Å; K459-F461 VanDerWaalsContact C-N 3.33Å; K459-F461 PolarHBondContact O-N 3.01Å; K459-N462 PolarHBondContact O-N 2.85Å; K459-F463 WeakPolarHBondContact O-CB 3.43Å; K459-F463 PolarHBondContact O-N 3.38Å |
| 460 | R | 62.3 | Low | 62.8 | Low | 150 Ų | 150 | 86 Ų | 86 | 57% | 0.566 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.1 | -37.7 | 175.8 | -72.1 | 173.9 | -176.3 | -164.3 | 1.9 | 112 | E456 K457 I458 L464 | E456-R460 WeakPolarHBondContact O-CG 3.38Å; E456-R460 PolarHBondContact O-N 2.85Å; E456-R460 IonicContact OE1-CZ 2.83Å; E456-R460 VanDerWaalsContact OE1-CZ 3.3Å; E456-R460 IonicContact OE1-NE 3.48Å; E456-R460 PolarHBondContact OE1-NE 3.28Å; E456-R460 IonicContact OE1-NH2 3.85Å; E456-R460 PolarHBondContact OE1-NH2 2.81Å; K457-R460 PolarHBondContact O-N 2.88Å; I458-R460 PolarHBondContact O-N 3.2Å; R460-L464 WeakPolarHBondContact O-CG 3.45Å; R460-L464 PolarHBondContact O-N 3.02Å |
| 461 | F | 64.7 | Low | 62.1 | Low | 123 Ų | 123 | 88.8 Ų | 88.8 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 177.1 | -177.2 | -105.5 | 0 | 0 | 0 | 112.2 | K457 I458 K459 F463 L464 L465 | K457-F461 WeakPolarHBondContact O-CB 3.24Å; K457-F461 PolarHBondContact O-N 2.57Å; I458-F461 PolarHBondContact O-N 2.89Å; K459-F461 VanDerWaalsContact C-N 3.33Å; K459-F461 PolarHBondContact O-N 3.01Å; F461-F463 VanDerWaalsContact C-N 3.35Å; F461-F463 PolarHBondContact O-N 2.65Å; F461-L464 PolarHBondContact O-N 2.91Å; F461-L465 HydrophobicContact CD1-CD1 3.77Å; F461-L465 HydrophobicContact CD1-CG 4.41Å; F461-L465 HydrophobicContact CE1-CD1 3.3Å; F461-L465 HydrophobicContact CE1-CG 4.07Å; F461-L465 HydrophobicContact CZ-CD1 3.76Å; F461-L465 HydrophobicContact CZ-CD2 4.35Å; F461-L465 HydrophobicContact CZ-CG 4.13Å; F461-L465 PolarHBondContact O-N 2.91Å |
| 462 | N | 60.5 | Low | 61.1 | Low | 65 Ų | 65 | 93.4 Ų | 93.4 | 35% | 0.348 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 176 | -70.8 | -11.8 | 0 | 0 | 0 | 111.9 | I458 K459 L464 L465 E466 | I458-N462 PolarHBondContact O-N 2.91Å; K459-N462 PolarHBondContact O-N 2.85Å; N462-L464 VanDerWaalsContact C-N 3.32Å; N462-L464 PolarHBondContact O-N 3.19Å; N462-L465 PolarHBondContact O-N 2.79Å; N462-E466 WeakPolarHBondContact O-CG 3.45Å; N462-E466 PolarHBondContact O-N 2.84Å |
| 463 | F | 69.8 | Low | 60.2 | Low | 64 Ų | 64 | 94 Ų | 94 | 28% | 0.281 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 174.3 | 178.3 | -92.6 | 0 | 0 | 0 | 112.1 | K459 F461 N467 | K459-F463 WeakPolarHBondContact O-CB 3.43Å; K459-F463 PolarHBondContact O-N 3.38Å; F461-F463 VanDerWaalsContact C-N 3.35Å; F461-F463 PolarHBondContact O-N 2.65Å; F463-N467 WeakPolarHBondContact O-CB 3.29Å; F463-N467 PolarHBondContact O-N 2.83Å; F463-N467 PolarHBondContact O-ND2 3.17Å |
| 464 | L | 67.4 | Low | 59.1 | Low | 111 Ų | 111 | 98.8 Ų | 98.8 | 58% | 0.581 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 178.1 | -74.6 | 167.5 | 0 | 0 | 0 | 112.5 | R460 F461 N462 N467 N468 | R460-L464 WeakPolarHBondContact O-CG 3.45Å; R460-L464 PolarHBondContact O-N 3.02Å; F461-L464 PolarHBondContact O-N 2.91Å; N462-L464 VanDerWaalsContact C-N 3.32Å; N462-L464 PolarHBondContact O-N 3.19Å; L464-N467 PolarHBondContact O-N 3.2Å; L464-N468 PolarHBondContact O-N 3.5Å |
| 465 | L | 62.6 | Low | 57.6 | Low | 92 Ų | 92 | 98 Ų | 98 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 177.2 | -78.8 | 175.7 | 0 | 0 | 0 | 111.9 | F461 N462 N467 N468 | F461-L465 HydrophobicContact CD1-CD1 3.77Å; F461-L465 HydrophobicContact CD1-CG 4.41Å; F461-L465 HydrophobicContact CE1-CD1 3.3Å; F461-L465 HydrophobicContact CE1-CG 4.07Å; F461-L465 HydrophobicContact CZ-CD1 3.76Å; F461-L465 HydrophobicContact CZ-CD2 4.35Å; F461-L465 HydrophobicContact CZ-CG 4.13Å; F461-L465 PolarHBondContact O-N 2.91Å; N462-L465 PolarHBondContact O-N 2.79Å; L465-N467 VanDerWaalsContact C-N 3.3Å; L465-N467 PolarHBondContact O-N 3.04Å; L465-N468 WeakPolarHBondContact O-CB 3.34Å; L465-N468 PolarHBondContact O-N 3.17Å |
| 466 | E | 60.5 | Low | 56.4 | Low | 77 Ų | 77 | 100.1 Ų | 100.1 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -28.7 | -178.1 | -71.1 | -179.6 | -169.7 | 0 | 0 | 112.5 | N462 H469 | N462-E466 WeakPolarHBondContact O-CG 3.45Å; N462-E466 PolarHBondContact O-N 2.84Å; E466-H469 PolarHBondContact O-CE1 2.62Å; E466-H469 PolarHBondContact O-ND1 2.97Å |
| 467 | N | 53.8 | Low | 55 | Low | 28 Ų | 28 | 105.5 Ų | 105.5 | 15% | 0.15 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 5.8 | -179.4 | -68.4 | -84.8 | 0 | 0 | 0 | 114.2 | F463 L464 L465 H469 L470 | F463-N467 WeakPolarHBondContact O-CB 3.29Å; F463-N467 PolarHBondContact O-N 2.83Å; F463-N467 PolarHBondContact O-ND2 3.17Å; L464-N467 PolarHBondContact O-N 3.2Å; L465-N467 VanDerWaalsContact C-N 3.3Å; L465-N467 PolarHBondContact O-N 3.04Å; N467-H469 PolarHBondContact O-N 3.25Å; N467-L470 HydrophobicContact CB-CD1 4.36Å; N467-L470 WeakPolarHBondContact O-CB 3.43Å; N467-L470 PolarHBondContact O-N 2.89Å; N467-L470 VanDerWaalsContact O-N 3.12Å |
| 468 | N | 55.2 | Low | 53.1 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.6 | -173 | -153.2 | -8.5 | 0 | 0 | 0 | 113.7 | L464 L465 L470 L471 | L464-N468 PolarHBondContact O-N 3.5Å; L465-N468 WeakPolarHBondContact O-CB 3.34Å; L465-N468 PolarHBondContact O-N 3.17Å; N468-L470 PolarHBondContact O-N 3.12Å; N468-L471 PolarHBondContact O-N 3Å; N468-L471 VanDerWaalsContact O-N 3.13Å |
| 469 | H | 51.5 | Low | 51.4 | Low | 132 Ų | 132 | 113.5 Ų | 113.5 | 61% | 0.611 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66 | -14.8 | 175.5 | 56 | -88.9 | 0 | 0 | 0 | 113.8 | E466 N467 | E466-H469 PolarHBondContact O-CE1 2.62Å; E466-H469 PolarHBondContact O-ND1 2.97Å; N467-H469 PolarHBondContact O-N 3.25Å |
| 470 | L | 47.6 | Very low | 50.1 | Low | 90 Ų | 90 | 114.6 Ų | 114.6 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -80.2 | -18.3 | 174.5 | -62.8 | 172.8 | 0 | 0 | 0 | 113.4 | N467 N468 | N467-L470 HydrophobicContact CB-CD1 4.36Å; N467-L470 WeakPolarHBondContact O-CB 3.43Å; N467-L470 PolarHBondContact O-N 2.89Å; N467-L470 VanDerWaalsContact O-N 3.12Å; N468-L470 PolarHBondContact O-N 3.12Å |
| 471 | L | 45 | Very low | 48.7 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86.6 | -22.3 | 179.4 | -66.8 | 171.7 | 0 | 0 | 0 | 112.6 | N468 | N468-L471 PolarHBondContact O-N 3Å; N468-L471 VanDerWaalsContact O-N 3.13Å |
| 472 | R | 40.8 | Very low | 47.1 | Very low | 174 Ų | 174 | 114.5 Ų | 114.5 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.5 | -33.9 | -177.3 | -164.2 | 173.7 | 178.2 | 165.8 | 6.2 | 112.6 | E474 S475 E476 | R472-E474 PolarHBondContact O-N 3Å; R472-S475 PolarHBondContact O-N 2.98Å; R472-S475 PolarHBondContact O-OG 3.14Å; R472-E476 IonicContact NE-OE1 3.51Å; R472-E476 PolarHBondContact NE-OE1 3.42Å |
| 473 | S | 41.2 | Very low | 45.6 | Very low | 65 Ų | 65 | 118.3 Ų | 118.3 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -25.8 | -175.8 | 60 | 0 | 0 | 0 | 0 | 114.4 | S475 | S473-S475 VanDerWaalsContact C-N 3.33Š|
| 474 | E | 42.8 | Very low | 44 | Very low | 139 Ų | 139 | 123.1 Ų | 123.1 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -18.4 | 176 | -75.3 | -174.3 | 169 | 0 | 0 | 113.2 | R472 | R472-E474 PolarHBondContact O-N 3Š|
| 475 | S | 41.4 | Very low | 42.2 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 58% | 0.58 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -21.6 | -179.3 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | R472 S473 | R472-S475 PolarHBondContact O-N 2.98Å; R472-S475 PolarHBondContact O-OG 3.14Å; S473-S475 VanDerWaalsContact C-N 3.33Å |
| 476 | E | 41.3 | Very low | 41 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -92.9 | -5.5 | -174.8 | -71.2 | 175.8 | -179.3 | 0 | 0 | 113.4 | R472 | R472-E476 IonicContact NE-OE1 3.51Å; R472-E476 PolarHBondContact NE-OE1 3.42Å |
| 477 | Q | 36 | Very low | 39.6 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -102.4 | 9.3 | -174.1 | -136.4 | 160.4 | 0.8 | 0 | 0 | 115.1 | ||
| 478 | R | 35.5 | Very low | 38.5 | Very low | 227 Ų | 227 | 135.3 Ų | 135.3 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -112.5 | -3.3 | 179.5 | -104.8 | -175.9 | -169.7 | 172.8 | 6 | 117 | ||
| 479 | N | 37.9 | Very low | 37.8 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | -135.5 | 83.7 | 179.3 | -72.3 | -28.4 | 0 | 0 | 0 | 111.5 | ||||
| 480 | S | 33.6 | Very low | 36.9 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -149.9 | 76.6 | 155.7 | 79.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 481 | E | 34.2 | Very low | 36.4 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | trans | -129.5 | 118.1 | 150.3 | -106.2 | -177 | 171.6 | 0 | 0 | 107.9 | ||||
| 482 | G | 30.1 | Very low | 36.2 | Very low | 69 Ų | 69 | 147.5 Ų | 147.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 101.2 | 105.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 483 | T | 29.8 | Very low | 36.4 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | 102 | 117.3 | 138.1 | -30.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 484 | N | 35.4 | Very low | 37.2 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -51.6 | 129.6 | 167.5 | -74.6 | -45.9 | 0 | 0 | 0 | 113.3 | ||||
| 485 | S | 30.5 | Very low | 38.1 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -158 | 145.7 | 132.8 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 486 | K | 36.2 | Very low | 39.3 | Very low | 190 Ų | 190 | 147.6 Ų | 147.6 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -83.9 | 149.7 | -174.6 | -119.9 | 172.9 | 180 | 179 | 0 | 109.7 | ||||
| 487 | I | 31.5 | Very low | 40.5 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 86.1 | 129.8 | 161.6 | -52.2 | 149.9 | 0 | 0 | 0 | 113.2 | ||||
| 488 | A | 30.1 | Very low | 41.8 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | cis | -141.5 | 156.1 | 17 | 0 | 0 | 0 | 0 | 0 | 111.2 | E490 | A488-E490 PolarHBondContact O-N 3Š| ||
| 489 | Q | 41.5 | Very low | 43.4 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -65 | 122.3 | 163.3 | -71.3 | 170.5 | -63.3 | 0 | 0 | 109.4 | ||||
| 490 | E | 32.2 | Very low | 44.9 | Very low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | trans | -104.9 | 90.7 | 153.5 | -77.9 | -177.9 | 168.2 | 0 | 0 | 106.4 | A488 E492 | A488-E490 PolarHBondContact O-N 3Å; E490-E492 PolarHBondContact O-N 3.41Å | ||
| 491 | D | 37.6 | Very low | 46.9 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | trans | -64.1 | 113.2 | 157.6 | -84.7 | -36.8 | 0 | 0 | 0 | 106.5 | V493 | D491-V493 PolarHBondContact O-N 3.36Š| ||
| 492 | E | 41.2 | Very low | 48.6 | Very low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | trans | -67.3 | 90.1 | 167.8 | -143.7 | -179.5 | -166.5 | 0 | 0 | 106.7 | E490 V494 | E490-E492 PolarHBondContact O-N 3.41Å; E492-V494 VanDerWaalsContact C-N 3.34Å; E492-V494 PolarHBondContact O-N 3.47Å | ||
| 493 | V | 43.8 | Very low | 50.7 | Low | 125 Ų | 125 | 128.2 Ų | 128.2 | 76% | 0.758 | 69% | 0.685 | S | S | * | * | trans | -64.1 | 98.3 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | D491 N495 | D491-V493 PolarHBondContact O-N 3.36Å; V493-N495 PolarHBondContact O-N 3.36Å | ||
| 494 | V | 57.9 | Low | 53.2 | Low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.606 | 67% | 0.665 | S | S | * | * | trans | -58.7 | 111.5 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 107 | E492 E496 I499 | E492-V494 VanDerWaalsContact C-N 3.34Å; E492-V494 PolarHBondContact O-N 3.47Å; V494-E496 PolarHBondContact O-N 3.19Å; V494-I499 HydrophobicContact CG1-CD1 3.5Å; V494-I499 HydrophobicContact CG1-CG1 4.2Å | ||
| 495 | N | 62.5 | Low | 55.2 | Low | 78 Ų | 78 | 127 Ų | 127 | 42% | 0.417 | 65% | 0.652 | S | S | . | * | trans | -65.1 | 105.7 | -173.8 | -173.7 | -8.4 | 0 | 0 | 0 | 109.8 | V493 D497 Y498 I499 | V493-N495 PolarHBondContact O-N 3.36Å; N495-D497 PolarHBondContact O-N 3.4Å; N495-D497 VanDerWaalsContact O-N 3.11Å; N495-D497 WeakPolarHBondContact OD1-CB 3.38Å; N495-D497 PolarHBondContact OD1-N 2.86Å; N495-Y498 HydrophobicContact CB-CD2 4.3Å; N495-Y498 WeakPolarHBondContact O-CB 3.41Å; N495-Y498 PolarHBondContact O-N 3.46Å; N495-I499 PolarHBondContact O-N 2.86Å | ||
| 496 | E | 66.6 | Low | 57.4 | Low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.6 | -29.6 | -178.9 | -69.3 | -175.8 | 160.8 | 0 | 0 | 112.2 | V494 Y498 I499 A500 | V494-E496 PolarHBondContact O-N 3.19Å; E496-Y498 VanDerWaalsContact C-N 3.31Å; E496-Y498 PolarHBondContact O-N 3.11Å; E496-I499 PolarHBondContact O-N 2.79Å; E496-A500 WeakPolarHBondContact O-CB 3.45Å; E496-A500 PolarHBondContact O-N 2.81Å |
| 497 | D | 66.3 | Low | 59.5 | Low | 120 Ų | 120 | 118.9 Ų | 118.9 | 64% | 0.642 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.2 | -33.7 | 177.5 | -67.2 | -25.7 | 0 | 0 | 0 | 112.2 | N495 E501 | N495-D497 PolarHBondContact O-N 3.4Å; N495-D497 VanDerWaalsContact O-N 3.11Å; N495-D497 WeakPolarHBondContact OD1-CB 3.38Å; N495-D497 PolarHBondContact OD1-N 2.86Å; D497-E501 VanDerWaalsContact O-CB 3.27Å; D497-E501 WeakPolarHBondContact O-CB 3.48Å; D497-E501 PolarHBondContact O-N 3.19Å |
| 498 | Y | 64.3 | Low | 61.7 | Low | 182 Ų | 182 | 115.4 Ų | 115.4 | 71% | 0.714 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72 | -37 | 176.3 | -100.5 | -88.8 | 0 | 0 | 0 | 111.9 | N495 E496 A502 | N495-Y498 HydrophobicContact CB-CD2 4.3Å; N495-Y498 WeakPolarHBondContact O-CB 3.41Å; N495-Y498 PolarHBondContact O-N 3.46Å; E496-Y498 VanDerWaalsContact C-N 3.31Å; E496-Y498 PolarHBondContact O-N 3.11Å; Y498-A502 VanDerWaalsContact O-CB 3.29Å; Y498-A502 WeakPolarHBondContact O-CB 3.33Å; Y498-A502 PolarHBondContact O-N 3.39Å |
| 499 | I | 67.7 | Low | 63.8 | Low | 86 Ų | 86 | 113.5 Ų | 113.5 | 44% | 0.441 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.5 | -45.6 | 175 | -64.9 | 177.4 | 0 | 0 | 0 | 109.8 | V494 N495 E496 E501 A502 L503 | V494-I499 HydrophobicContact CG1-CD1 3.5Å; V494-I499 HydrophobicContact CG1-CG1 4.2Å; N495-I499 PolarHBondContact O-N 2.86Å; E496-I499 PolarHBondContact O-N 2.79Å; I499-E501 VanDerWaalsContact C-N 3.34Å; I499-E501 PolarHBondContact O-N 2.83Å; I499-A502 PolarHBondContact O-N 3.26Å; I499-L503 HydrophobicContact CG2-CD1 3.81Å; I499-L503 HydrophobicContact CG2-CG 4.26Å; I499-L503 WeakPolarHBondContact O-CB 3.32Å; I499-L503 VanDerWaalsContact O-CG 3.29Å; I499-L503 WeakPolarHBondContact O-CG 3.48Å; I499-L503 PolarHBondContact O-N 2.93Å |
| 500 | A | 70.3 | Confident | 65.7 | Low | 55 Ų | 55 | 109.6 Ų | 109.6 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.9 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E496 L503 R504 | E496-A500 WeakPolarHBondContact O-CB 3.45Å; E496-A500 PolarHBondContact O-N 2.81Å; A500-L503 PolarHBondContact O-N 2.83Å; A500-R504 VanDerWaalsContact O-CB 3.28Å; A500-R504 WeakPolarHBondContact O-CB 3.37Å; A500-R504 PolarHBondContact O-N 2.75Å |
| 501 | E | 75.3 | Confident | 67.8 | Low | 63 Ų | 63 | 107.4 Ų | 107.4 | 29% | 0.294 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.1 | -38.7 | 177.2 | -179.1 | 58.9 | -166.8 | 0 | 0 | 112.1 | D497 I499 R504 R505 | D497-E501 VanDerWaalsContact O-CB 3.27Å; D497-E501 WeakPolarHBondContact O-CB 3.48Å; D497-E501 PolarHBondContact O-N 3.19Å; I499-E501 VanDerWaalsContact C-N 3.34Å; I499-E501 PolarHBondContact O-N 2.83Å; E501-R504 PolarHBondContact O-N 2.96Å; E501-R504 IonicContact OE1-CZ 3.93Å; E501-R504 IonicContact OE1-NE 3.92Å; E501-R504 IonicContact OE1-NH2 3.2Å; E501-R504 PolarHBondContact OE1-NH2 3.15Å; E501-R504 IonicContact OE2-CZ 3.33Å; E501-R504 IonicContact OE2-NE 2.76Å; E501-R504 PolarHBondContact OE2-NE 3.44Å; E501-R504 IonicContact OE2-NH2 3.04Å; E501-R504 PolarHBondContact OE2-NH2 3.28Å; E501-R505 WeakPolarHBondContact O-CB 3.4Å; E501-R505 VanDerWaalsContact O-CG 3.31Å; E501-R505 WeakPolarHBondContact O-CG 3.46Å; E501-R505 PolarHBondContact O-N 2.97Å; E501-R505 IonicContact OE1-CZ 3.86Å; E501-R505 IonicContact OE1-NE 2.92Å; E501-R505 PolarHBondContact OE1-NE 3.14Å; E501-R505 IonicContact OE1-NH2 3.79Å; E501-R505 PolarHBondContact OE1-NH2 2.91Å |
| 502 | A | 69.6 | Low | 69.7 | Low | 52 Ų | 52 | 107.3 Ų | 107.3 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y498 I499 R504 R505 T506 | Y498-A502 VanDerWaalsContact O-CB 3.29Å; Y498-A502 WeakPolarHBondContact O-CB 3.33Å; Y498-A502 PolarHBondContact O-N 3.39Å; I499-A502 PolarHBondContact O-N 3.26Å; A502-R504 PolarHBondContact O-N 3.47Å; A502-R505 PolarHBondContact O-N 3.45Å; A502-T506 WeakPolarHBondContact O-CB 3.34Å; A502-T506 PolarHBondContact O-N 3.3Å; A502-T506 PolarHBondContact O-OG1 3.26Å |
| 503 | L | 75.3 | Confident | 71.5 | Confident | 115 Ų | 115 | 103.2 Ų | 103.2 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 177.4 | -70.3 | 173 | 0 | 0 | 0 | 111.9 | I499 A500 T506 S507 | I499-L503 HydrophobicContact CG2-CD1 3.81Å; I499-L503 HydrophobicContact CG2-CG 4.26Å; I499-L503 WeakPolarHBondContact O-CB 3.32Å; I499-L503 VanDerWaalsContact O-CG 3.29Å; I499-L503 WeakPolarHBondContact O-CG 3.48Å; I499-L503 PolarHBondContact O-N 2.93Å; A500-L503 PolarHBondContact O-N 2.83Å; L503-T506 PolarHBondContact O-N 3.3Å; L503-S507 WeakPolarHBondContact O-CB 3.49Å; L503-S507 PolarHBondContact O-N 3.15Å |
| 504 | R | 82 | Confident | 72.9 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 175.6 | -169.5 | -172.8 | 72.1 | 74.3 | 4.1 | 111.1 | A500 E501 A502 T506 S507 E508 | A500-R504 VanDerWaalsContact O-CB 3.28Å; A500-R504 WeakPolarHBondContact O-CB 3.37Å; A500-R504 PolarHBondContact O-N 2.75Å; E501-R504 PolarHBondContact O-N 2.96Å; E501-R504 IonicContact OE1-CZ 3.93Å; E501-R504 IonicContact OE1-NE 3.92Å; E501-R504 IonicContact OE1-NH2 3.2Å; E501-R504 PolarHBondContact OE1-NH2 3.15Å; E501-R504 IonicContact OE2-CZ 3.33Å; E501-R504 IonicContact OE2-NE 2.76Å; E501-R504 PolarHBondContact OE2-NE 3.44Å; E501-R504 IonicContact OE2-NH2 3.04Å; E501-R504 PolarHBondContact OE2-NH2 3.28Å; A502-R504 PolarHBondContact O-N 3.47Å; R504-T506 VanDerWaalsContact C-N 3.31Å; R504-T506 PolarHBondContact O-N 3.16Å; R504-S507 PolarHBondContact O-N 2.86Å; R504-E508 IonicContact CZ-OE2 3.47Å; R504-E508 IonicContact NH1-OE2 3.74Å; R504-E508 PolarHBondContact NH1-OE2 3.21Å; R504-E508 WeakPolarHBondContact O-CB 3.43Å; R504-E508 PolarHBondContact O-N 2.85Å |
| 505 | R | 76.6 | Confident | 73.7 | Confident | 161 Ų | 161 | 99.6 Ų | 99.6 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -38.5 | 177.2 | -73.1 | 179.7 | -176 | -164.4 | -0.3 | 112.5 | E501 A502 E508 A509 | E501-R505 WeakPolarHBondContact O-CB 3.4Å; E501-R505 VanDerWaalsContact O-CG 3.31Å; E501-R505 WeakPolarHBondContact O-CG 3.46Å; E501-R505 PolarHBondContact O-N 2.97Å; E501-R505 IonicContact OE1-CZ 3.86Å; E501-R505 IonicContact OE1-NE 2.92Å; E501-R505 PolarHBondContact OE1-NE 3.14Å; E501-R505 IonicContact OE1-NH2 3.79Å; E501-R505 PolarHBondContact OE1-NH2 2.91Å; A502-R505 PolarHBondContact O-N 3.45Å; R505-E508 PolarHBondContact O-N 3.06Å; R505-A509 WeakPolarHBondContact O-CB 3.41Å; R505-A509 PolarHBondContact O-N 2.97Å |
| 506 | T | 77.9 | Confident | 74.2 | Confident | 81 Ų | 81 | 101.6 Ų | 101.6 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 177.7 | -42.9 | 0 | 0 | 0 | 0 | 110.8 | A502 L503 R504 A509 I510 | A502-T506 WeakPolarHBondContact O-CB 3.34Å; A502-T506 PolarHBondContact O-N 3.3Å; A502-T506 PolarHBondContact O-OG1 3.26Å; L503-T506 PolarHBondContact O-N 3.3Å; R504-T506 VanDerWaalsContact C-N 3.31Å; R504-T506 PolarHBondContact O-N 3.16Å; T506-A509 PolarHBondContact O-N 2.95Å; T506-I510 HydrophobicContact CG2-CD1 4.4Å; T506-I510 WeakPolarHBondContact O-CD1 3.18Å; T506-I510 VanDerWaalsContact O-CG1 3.26Å; T506-I510 WeakPolarHBondContact O-CG1 3.39Å; T506-I510 PolarHBondContact O-N 3.02Å; T506-I510 VanDerWaalsContact O-N 3.08Å |
| 507 | S | 79.7 | Confident | 74.3 | Confident | 61 Ų | 61 | 98.6 Ų | 98.6 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 176.3 | -166.9 | 0 | 0 | 0 | 0 | 112.7 | L503 R504 K511 | L503-S507 WeakPolarHBondContact O-CB 3.49Å; L503-S507 PolarHBondContact O-N 3.15Å; R504-S507 PolarHBondContact O-N 2.86Å; S507-K511 WeakPolarHBondContact O-CG 3.15Å; S507-K511 PolarHBondContact O-N 3.29Å |
| 508 | E | 77.2 | Confident | 74.6 | Confident | 94 Ų | 94 | 96.3 Ų | 96.3 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 175.7 | -165.7 | 160.8 | -155.9 | 0 | 0 | 111.3 | R504 R505 I510 K511 E512 | R504-E508 IonicContact CZ-OE2 3.47Å; R504-E508 IonicContact NH1-OE2 3.74Å; R504-E508 PolarHBondContact NH1-OE2 3.21Å; R504-E508 WeakPolarHBondContact O-CB 3.43Å; R504-E508 PolarHBondContact O-N 2.85Å; R505-E508 PolarHBondContact O-N 3.06Å; E508-I510 PolarHBondContact O-N 3.26Å; E508-K511 PolarHBondContact O-N 2.77Å; E508-E512 PolarHBondContact O-N 3.14Å; E508-E512 VanDerWaalsContact O-N 3.07Å |
| 509 | A | 75.3 | Confident | 74.7 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R505 T506 K511 E512 I513 | R505-A509 WeakPolarHBondContact O-CB 3.41Å; R505-A509 PolarHBondContact O-N 2.97Å; T506-A509 PolarHBondContact O-N 2.95Å; A509-K511 VanDerWaalsContact C-N 3.34Å; A509-K511 PolarHBondContact O-N 3.37Å; A509-E512 PolarHBondContact O-N 2.79Å; A509-I513 VanDerWaalsContact O-CG1 3.3Å; A509-I513 WeakPolarHBondContact O-CG1 3.37Å; A509-I513 PolarHBondContact O-N 2.95Å; A509-I513 VanDerWaalsContact O-N 3.08Å |
| 510 | I | 80.1 | Confident | 74.1 | Confident | 93 Ų | 93 | 92.6 Ų | 92.6 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.6 | -68.6 | 164.4 | 0 | 0 | 0 | 110.7 | T506 E508 E512 I513 D514 | T506-I510 HydrophobicContact CG2-CD1 4.4Å; T506-I510 WeakPolarHBondContact O-CD1 3.18Å; T506-I510 VanDerWaalsContact O-CG1 3.26Å; T506-I510 WeakPolarHBondContact O-CG1 3.39Å; T506-I510 PolarHBondContact O-N 3.02Å; T506-I510 VanDerWaalsContact O-N 3.08Å; E508-I510 PolarHBondContact O-N 3.26Å; I510-E512 VanDerWaalsContact C-N 3.33Å; I510-E512 PolarHBondContact O-N 3.14Å; I510-I513 PolarHBondContact O-N 2.87Å; I510-D514 PolarHBondContact O-N 2.78Å |
| 511 | K | 77.6 | Confident | 73.2 | Confident | 146 Ų | 146 | 95.4 Ų | 95.4 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -36.8 | 177 | -74 | 175.9 | -177.6 | 177.9 | 0 | 112.8 | S507 E508 A509 A515 | S507-K511 WeakPolarHBondContact O-CG 3.15Å; S507-K511 PolarHBondContact O-N 3.29Å; E508-K511 PolarHBondContact O-N 2.77Å; A509-K511 VanDerWaalsContact C-N 3.34Å; A509-K511 PolarHBondContact O-N 3.37Å; K511-A515 WeakPolarHBondContact O-CB 3.48Å; K511-A515 PolarHBondContact O-N 2.71Å |
| 512 | E | 75.8 | Confident | 72 | Confident | 127 Ų | 127 | 99.6 Ų | 99.6 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 175.3 | -72 | -177.9 | 172.5 | 0 | 0 | 112 | E508 A509 I510 A515 L516 | E508-E512 PolarHBondContact O-N 3.14Å; E508-E512 VanDerWaalsContact O-N 3.07Å; A509-E512 PolarHBondContact O-N 2.79Å; I510-E512 VanDerWaalsContact C-N 3.33Å; I510-E512 PolarHBondContact O-N 3.14Å; E512-A515 PolarHBondContact O-N 2.9Å; E512-L516 PolarHBondContact O-N 3.02Å |
| 513 | I | 79 | Confident | 70.7 | Confident | 101 Ų | 101 | 106.1 Ų | 106.1 | 52% | 0.518 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -46.1 | 175.2 | -67.3 | 164.6 | 0 | 0 | 0 | 110.6 | A509 I510 A515 L516 I517 | A509-I513 VanDerWaalsContact O-CG1 3.3Å; A509-I513 WeakPolarHBondContact O-CG1 3.37Å; A509-I513 PolarHBondContact O-N 2.95Å; A509-I513 VanDerWaalsContact O-N 3.08Å; I510-I513 PolarHBondContact O-N 2.87Å; I513-A515 VanDerWaalsContact C-N 3.3Å; I513-A515 PolarHBondContact O-N 2.88Å; I513-L516 WeakPolarHBondContact O-CB 3.25Å; I513-L516 PolarHBondContact O-N 2.67Å; I513-I517 HydrophobicContact CG2-CD1 3.69Å; I513-I517 HydrophobicContact CG2-CG1 4.42Å; I513-I517 VanDerWaalsContact O-CG1 3.32Å; I513-I517 WeakPolarHBondContact O-CG1 3.38Å; I513-I517 PolarHBondContact O-N 3.21Å |
| 514 | D | 73.6 | Confident | 70.4 | Confident | 90 Ų | 90 | 105.7 Ų | 105.7 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -35.7 | 178.1 | -75.5 | -21.6 | 0 | 0 | 0 | 112.2 | I510 S518 | I510-D514 PolarHBondContact O-N 2.78Å; D514-S518 VanDerWaalsContact O-CB 3.29Å; D514-S518 WeakPolarHBondContact O-CB 3.2Å; D514-S518 PolarHBondContact O-N 2.84Å; D514-S518 PolarHBondContact O-OG 2.9Å |
| 515 | A | 76.2 | Confident | 69.8 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.7 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K511 E512 I513 S518 A519 | K511-A515 WeakPolarHBondContact O-CB 3.48Å; K511-A515 PolarHBondContact O-N 2.71Å; E512-A515 PolarHBondContact O-N 2.9Å; I513-A515 VanDerWaalsContact C-N 3.3Å; I513-A515 PolarHBondContact O-N 2.88Å; A515-S518 PolarHBondContact O-N 3.06Å; A515-A519 WeakPolarHBondContact O-CB 3.42Å; A515-A519 PolarHBondContact O-N 3.37Å |
| 516 | L | 71.1 | Confident | 69.5 | Low | 120 Ų | 120 | 101.7 Ų | 101.7 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.5 | -46.1 | 175 | -120.6 | 99.4 | 0 | 0 | 0 | 111.7 | E512 I513 S518 A519 D520 | E512-L516 PolarHBondContact O-N 3.02Å; I513-L516 WeakPolarHBondContact O-CB 3.25Å; I513-L516 PolarHBondContact O-N 2.67Å; L516-S518 VanDerWaalsContact C-N 3.31Å; L516-S518 PolarHBondContact O-N 3.42Å; L516-A519 PolarHBondContact O-N 3.09Å; L516-D520 PolarHBondContact O-N 2.85Å; L516-D520 VanDerWaalsContact O-N 3.13Å |
| 517 | I | 69.8 | Low | 69 | Low | 97 Ų | 97 | 102.9 Ų | 102.9 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.9 | -38 | 179 | -66 | 166.8 | 0 | 0 | 0 | 110.7 | I513 A519 D520 | I513-I517 HydrophobicContact CG2-CD1 3.69Å; I513-I517 HydrophobicContact CG2-CG1 4.42Å; I513-I517 VanDerWaalsContact O-CG1 3.32Å; I513-I517 WeakPolarHBondContact O-CG1 3.38Å; I513-I517 PolarHBondContact O-N 3.21Å; I517-A519 VanDerWaalsContact C-N 3.34Å; I517-D520 PolarHBondContact O-N 2.77Å |
| 518 | S | 72.7 | Confident | 68.3 | Low | 72 Ų | 72 | 105.5 Ų | 105.5 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.3 | -33.4 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | D514 A515 L516 T521 | D514-S518 VanDerWaalsContact O-CB 3.29Å; D514-S518 WeakPolarHBondContact O-CB 3.2Å; D514-S518 PolarHBondContact O-N 2.84Å; D514-S518 PolarHBondContact O-OG 2.9Å; A515-S518 PolarHBondContact O-N 3.06Å; L516-S518 VanDerWaalsContact C-N 3.31Å; L516-S518 PolarHBondContact O-N 3.42Å; S518-T521 PolarHBondContact O-OG1 3.17Å |
| 519 | A | 65.6 | Low | 67.7 | Low | 66 Ų | 66 | 106.3 Ų | 106.3 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.3 | -34.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A515 L516 I517 T521 | A515-A519 WeakPolarHBondContact O-CB 3.42Å; A515-A519 PolarHBondContact O-N 3.37Å; L516-A519 PolarHBondContact O-N 3.09Å; I517-A519 VanDerWaalsContact C-N 3.34Å; A519-T521 VanDerWaalsContact C-N 3.26Å; A519-T521 PolarHBondContact O-N 3.25Å |
| 520 | D | 54.5 | Low | 67.2 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.1 | -11.7 | 177.8 | -86.3 | -13.6 | 0 | 0 | 0 | 113.9 | L516 I517 | L516-D520 PolarHBondContact O-N 2.85Å; L516-D520 VanDerWaalsContact O-N 3.13Å; I517-D520 PolarHBondContact O-N 2.77Å |
| 521 | T | 52.6 | Low | 66.2 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 69% | 0.693 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 2.1 | 176.8 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | S518 A519 | S518-T521 PolarHBondContact O-OG1 3.17Å; A519-T521 VanDerWaalsContact C-N 3.26Å; A519-T521 PolarHBondContact O-N 3.25Å |
| 522 | L | 49.8 | Very low | 65.2 | Low | 152 Ų | 152 | 109.3 Ų | 109.3 | 80% | 0.796 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 16.3 | -174.2 | -116.9 | 135.4 | 0 | 0 | 0 | 115.1 | ||
| 523 | T | 41.9 | Very low | 64.3 | Low | 188 Ų | 188 | 107.6 Ų | 107.6 | 100% | 1.153 | 64% | 0.635 | S | S | * | * | trans | -115.1 | 0 | 171 | 48.2 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 523 of 523 residues in 397.2 ms
(Link to these results)