| 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 | 44.7 | Very low | 84.9 | Confident | 240 Ų | 240 | 84.2 Ų | 84.2 | 100% | 1.182 | 44% | 0.436 | S | S | * | . | 0 | 131 | 0 | -68.9 | -162.7 | -111.8 | 0 | 0 | 105.1 | E3 | M1-E3 PolarHBondContact O-N 3.26Š| |||
| 2 | G | 57.9 | Low | 85.7 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 76% | 0.763 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -65 | 133.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | E4 | G2-E4 PolarHBondContact O-N 3.26Š|
| 3 | E | 66.3 | Low | 86 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 64% | 0.64 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 131.5 | 169 | -69.5 | 175.8 | 176 | 0 | 0 | 107.1 | M1 E5 E77 | M1-E3 PolarHBondContact O-N 3.26Å; E3-E5 PolarHBondContact O-N 3.19Å; E3-E77 HydrophobicContact CB-CB 4.27Å; E3-E77 HydrophobicContact CB-CG 4.49Å |
| 4 | E | 83.8 | Confident | 86.1 | Confident | 153 Ų | 153 | 66.9 Ų | 66.9 | 72% | 0.715 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 119.9 | -178.9 | -73.1 | -171.8 | 172.3 | 0 | 0 | 108.6 | G2 H6 | G2-E4 PolarHBondContact O-N 3.26Å; E4-H6 PolarHBondContact O-CD2 3.44Å; E4-H6 PolarHBondContact O-NE2 2.86Å |
| 5 | E | 93.4 | Very high | 86.1 | Confident | 125 Ų | 125 | 64.7 Ų | 64.7 | 58% | 0.584 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 127.6 | 173.6 | -71 | -177.3 | -175.9 | 0 | 0 | 110.4 | E3 V75 E77 | E3-E5 PolarHBondContact O-N 3.19Å; E5-V75 HydrophobicContact CB-CB 4.38Å; E5-E77 HydrophobicContact CG-CG 4.2Å |
| 6 | H | 96.7 | Very high | 85.7 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.1 | 176.5 | -58.3 | -78.7 | 0 | 0 | 0 | 110.7 | E4 V8 V42 Y43 V75 T76 | E4-H6 PolarHBondContact O-CD2 3.44Å; E4-H6 PolarHBondContact O-NE2 2.86Å; H6-V8 PolarHBondContact O-N 3.06Å; H6-V42 HydrophobicContact CB-CG2 4.08Å; H6-Y43 HydrophobicContact CB-CD1 3.94Å; H6-Y43 HydrophobicContact CB-CE1 3.65Å; H6-Y43 AromaticContact CD2-CD1 3.9Å; H6-Y43 AromaticContact CD2-CE1 3.43Å; H6-Y43 VanDerWaalsContact CD2-CE1 3.43Å; H6-Y43 WeakPolarHBondContact CD2-CE1 3.49Å; H6-Y43 AromaticContact CG-CD1 3.58Å; H6-Y43 AromaticContact CG-CE1 3.42Å; H6-Y43 VanDerWaalsContact CG-CE1 3.42Å; H6-Y43 AromaticContact ND1-CD1 3.71Å; H6-V75 CarbonylContact O-C 3.52Å; H6-V75 VanDerWaalsContact O-CA 3.26Å; H6-V75 WeakPolarHBondContact O-CA 3.37Å; H6-T76 HydrophobicContact CB-CG2 4.03Å; H6-T76 PolarHBondContact N-O 2.59Å; H6-T76 PolarHBondContact O-N 2.83Å |
| 7 | V | 97.7 | Very high | 85.3 | Confident | 53 Ų | 53 | 58.9 Ų | 58.9 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125.6 | 177.8 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | R9 R72 V75 | V7-R9 HydrophobicContact CG1-CG 4.13Å; V7-R72 HydrophobicContact CG1-CG 4.09Å; V7-V75 HydrophobicContact CG2-CG1 4.33Å |
| 8 | V | 98.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.9 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | H6 I40 V42 L73 G74 T76 L118 T119 | H6-V8 PolarHBondContact O-N 3.06Å; V8-I40 HydrophobicContact CG1-CG2 3.95Å; V8-V42 HydrophobicContact CG2-CB 4.35Å; V8-V42 HydrophobicContact CG2-CG2 3.91Å; V8-L73 HydrophobicContact CB-CB 4.43Å; V8-L73 HydrophobicContact CG1-CB 4.26Å; V8-L73 HydrophobicContact CG1-CD1 4.11Å; V8-L73 PolarHBondContact O-N 2.95Å; V8-G74 PolarHBondContact N-O 3.3Å; V8-G74 VanDerWaalsContact N-O 3.1Å; V8-G74 PolarHBondContact O-N 3.42Å; V8-T76 HydrophobicContact CG2-CG2 3.65Å; V8-L118 HydrophobicContact CG1-CD1 4.04Å; V8-L118 HydrophobicContact CG2-CB 4.18Å; V8-L118 HydrophobicContact CG2-CD1 4.28Å; V8-T119 HydrophobicContact CB-CG2 3.68Å; V8-T119 HydrophobicContact CG1-CG2 4.1Å; V8-T119 HydrophobicContact CG2-CG2 3.61Å |
| 9 | R | 98.6 | Very high | 84.6 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.7 | -179.7 | -55.6 | -178.9 | -172.9 | 113 | -0.6 | 110.9 | V7 F11 S41 E59 I70 I71 | V7-R9 HydrophobicContact CG1-CG 4.13Å; R9-F11 HydrophobicContact CB-CD1 4.46Å; R9-F11 HydrophobicContact CB-CE1 4.21Å; R9-S41 PolarHBondContact N-O 2.79Å; R9-S41 PolarHBondContact O-N 2.95Å; R9-E59 IonicContact NH1-OE1 3.21Å; R9-I70 HydrophobicContact CB-CG2 4.09Å; R9-I70 HydrophobicContact CG-CG2 4.41Å; R9-I71 CarbonylContact C-O 3.6Å; R9-I71 VanDerWaalsContact CA-O 3.27Å; R9-I71 WeakPolarHBondContact CA-O 3.37Å |
| 10 | L | 98.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.7 | 167 | -175 | 66.7 | 0 | 0 | 0 | 108.5 | I12 T38 I40 I70 I71 L73 I123 I127 | L10-I12 HydrophobicContact CD2-CD1 3.94Å; L10-I12 HydrophobicContact CD2-CG1 3.82Å; L10-I12 HydrophobicContact CG-CD1 4.4Å; L10-I12 HydrophobicContact CG-CG1 3.84Å; L10-T38 HydrophobicContact CD1-CG2 4.04Å; L10-T38 HydrophobicContact CG-CG2 4.37Å; L10-I40 HydrophobicContact CD1-CD1 4.1Å; L10-I70 WeakPolarHBondContact O-CA 3.42Å; L10-I71 HydrophobicContact CB-CB 4.33Å; L10-I71 PolarHBondContact N-O 3.48Å; L10-I71 PolarHBondContact O-N 3.43Å; L10-L73 HydrophobicContact CB-CD1 3.75Å; L10-L73 HydrophobicContact CB-CD2 4.1Å; L10-L73 HydrophobicContact CB-CG 3.87Å; L10-I123 HydrophobicContact CD1-CB 4.47Å; L10-I123 HydrophobicContact CD1-CG2 3.71Å; L10-I123 HydrophobicContact CD2-CB 3.78Å; L10-I123 HydrophobicContact CD2-CG2 3.81Å; L10-I123 HydrophobicContact CG-CG2 4.35Å; L10-I127 HydrophobicContact CD2-CD1 4.13Å |
| 11 | F | 97.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132 | 167.3 | -72.8 | 4 | 0 | 0 | 0 | 108.3 | R9 Y13 T38 S39 S41 E46 E59 F60 P67 I70 | R9-F11 HydrophobicContact CB-CD1 4.46Å; R9-F11 HydrophobicContact CB-CE1 4.21Å; F11-Y13 HydrophobicContact CB-CE2 3.74Å; F11-T38 WeakPolarHBondContact O-CA 3.4Å; F11-T38 WeakPolarHBondContact O-CB 3.48Å; F11-S39 WeakPolarHBondContact CB-OG 3.44Å; F11-S39 PolarHBondContact N-O 3.49Å; F11-S39 PolarHBondContact O-N 3.5Å; F11-S41 VanDerWaalsContact CE1-CB 3.48Å; F11-S41 VanDerWaalsContact CZ-CB 3.41Å; F11-E46 HydrophobicContact CD2-CG 4.14Å; F11-E46 HydrophobicContact CE2-CG 4.48Å; F11-E59 HydrophobicContact CE2-CB 4.4Å; F11-E59 HydrophobicContact CE2-CG 4.4Å; F11-E59 HydrophobicContact CZ-CG 4.3Å; F11-F60 HydrophobicContact CE1-CE1 4.44Å; F11-F60 AromaticContact CE2-CD1 3.97Å; F11-F60 HydrophobicContact CE2-CD1 3.97Å; F11-F60 AromaticContact CE2-CE1 3.66Å; F11-F60 HydrophobicContact CE2-CE1 3.66Å; F11-F60 HydrophobicContact CE2-CZ 4.09Å; F11-F60 HydrophobicContact CZ-CD1 4.37Å; F11-F60 AromaticContact CZ-CE1 3.62Å; F11-F60 HydrophobicContact CZ-CE1 3.62Å; F11-F60 HydrophobicContact CZ-CE2 4.43Å; F11-F60 AromaticContact CZ-CZ 3.67Å; F11-F60 HydrophobicContact CZ-CZ 3.67Å; F11-P67 HydrophobicContact CB-CB 3.96Å; F11-P67 HydrophobicContact CB-CG 3.71Å; F11-P67 HydrophobicContact CD1-CG 4.06Å; F11-P67 HydrophobicContact CD2-CG 3.5Å; F11-P67 HydrophobicContact CE2-CG 4.08Å; F11-P67 HydrophobicContact CG-CB 4.14Å; F11-P67 HydrophobicContact CG-CG 3.49Å; F11-P67 VanDerWaalsContact CG-CG 3.49Å; F11-I70 HydrophobicContact CD1-CB 4.33Å; F11-I70 HydrophobicContact CD1-CD1 4.19Å; F11-I70 HydrophobicContact CD1-CG1 3.79Å; F11-I70 HydrophobicContact CD1-CG2 3.9Å; F11-I70 HydrophobicContact CE1-CB 4.43Å; F11-I70 HydrophobicContact CE1-CD1 3.81Å; F11-I70 HydrophobicContact CE1-CG1 3.9Å; F11-I70 HydrophobicContact CE1-CG2 3.74Å; F11-I70 HydrophobicContact CZ-CD1 4.35Å |
| 12 | I | 95.1 | Very high | 86 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.4 | -176.5 | -52 | 163.6 | 0 | 0 | 0 | 108.5 | L10 W36 T38 P67 N68 R69 I71 I127 | L10-I12 HydrophobicContact CD2-CD1 3.94Å; L10-I12 HydrophobicContact CD2-CG1 3.82Å; L10-I12 HydrophobicContact CG-CD1 4.4Å; L10-I12 HydrophobicContact CG-CG1 3.84Å; I12-W36 HydrophobicContact CG2-CD2 4.27Å; I12-W36 HydrophobicContact CG2-CE3 3.61Å; I12-W36 HydrophobicContact CG2-CZ3 4.08Å; I12-T38 HydrophobicContact CB-CG2 4.39Å; I12-T38 HydrophobicContact CG1-CG2 4.07Å; I12-T38 HydrophobicContact CG2-CG2 4.31Å; I12-P67 CarbonylContact O-C 3.31Å; I12-N68 WeakPolarHBondContact O-CA 3.45Å; I12-N68 WeakPolarHBondContact O-CB 3.5Å; I12-N68 PolarHBondContact O-N 2.87Å; I12-R69 HydrophobicContact CB-CB 4.15Å; I12-R69 HydrophobicContact CD1-CB 3.81Å; I12-R69 HydrophobicContact CG1-CB 4.42Å; I12-R69 PolarHBondContact N-O 3.42Å; I12-R69 PolarHBondContact O-N 3.27Å; I12-I71 HydrophobicContact CD1-CD1 3.48Å; I12-I71 VanDerWaalsContact CD1-CD1 3.48Å; I12-I71 HydrophobicContact CD1-CG1 3.93Å; I12-I127 HydrophobicContact CB-CD1 4.49Å; I12-I127 HydrophobicContact CD1-CD1 3.42Å; I12-I127 VanDerWaalsContact CD1-CD1 3.42Å; I12-I127 HydrophobicContact CG1-CD1 3.71Å; I12-I127 HydrophobicContact CG2-CD1 3.94Å |
| 13 | Y | 89.2 | Confident | 86.8 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.3 | -178.3 | -57.6 | -92.7 | 0 | 0 | 0 | 109.9 | F11 W36 H37 E46 I64 G65 P67 N68 | F11-Y13 HydrophobicContact CB-CE2 3.74Å; Y13-W36 CarbonylContact O-C 3.59Å; Y13-W36 WeakPolarHBondContact O-CA 3.29Å; Y13-H37 PolarHBondContact N-O 3.29Å; Y13-H37 PolarHBondContact O-N 2.92Å; Y13-E46 PolarHBondContact OH-OE1 3.35Å; Y13-I64 HydrophobicContact CD1-CB 4.2Å; Y13-I64 HydrophobicContact CD1-CG2 3.51Å; Y13-I64 HydrophobicContact CD2-CG2 4.3Å; Y13-I64 HydrophobicContact CE1-CB 4.12Å; Y13-I64 HydrophobicContact CE1-CG2 3.95Å; Y13-I64 HydrophobicContact CE2-CD1 4.4Å; Y13-I64 HydrophobicContact CG-CG2 3.69Å; Y13-G65 WeakPolarHBondContact CE1-O 3.33Å; Y13-P67 HydrophobicContact CE1-CB 4.17Å; Y13-P67 HydrophobicContact CE1-CG 3.91Å; Y13-P67 HydrophobicContact CE2-CG 4.41Å; Y13-P67 WeakPolarHBondContact OH-CG 3.42Å; Y13-N68 WeakPolarHBondContact CA-OD1 3.46Å |
| 14 | D | 87.8 | Confident | 87.4 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 103.3 | 166.8 | 175.2 | 17.1 | 0 | 0 | 0 | 109.1 | S16 G17 G18 G34 V35 W36 N68 | D14-S16 PolarHBondContact O-N 3.12Å; D14-S16 WeakPolarHBondContact OD1-CB 3.48Å; D14-S16 PolarHBondContact OD1-N 3.22Å; D14-S16 PolarHBondContact OD1-OG 2.9Å; D14-S16 PolarHBondContact OD2-OG 2.76Å; D14-S16 VanDerWaalsContact OD2-OG 3.08Å; D14-G17 WeakPolarHBondContact O-CA 2.97Å; D14-G17 PolarHBondContact O-N 3Å; D14-G18 VanDerWaalsContact OD2-CA 3.32Å; D14-G18 WeakPolarHBondContact OD2-CA 3.32Å; D14-G18 PolarHBondContact OD2-N 2.9Å; D14-G34 WeakPolarHBondContact OD1-CA 3.32Å; D14-V35 PolarHBondContact OD1-N 2.8Å; D14-W36 HydrophobicContact CB-CE3 4.12Å; D14-W36 HydrophobicContact CB-CZ3 3.75Å; D14-N68 WeakPolarHBondContact CB-ND2 3.4Å; D14-N68 PolarHBondContact N-OD1 2.94Å |
| 15 | L | 85.1 | Confident | 87.2 | Confident | 33 Ų | 33 | 24.3 Ų | 24.3 | 17% | 0.173 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.4 | -177.7 | -58.1 | -176.5 | 0 | 0 | 0 | 113.2 | V35 H37 I64 W815 | L15-V35 HydrophobicContact CB-CB 4.37Å; L15-V35 HydrophobicContact CB-CG1 4.21Å; L15-V35 PolarHBondContact N-O 3.34Å; L15-H37 HydrophobicContact CD1-CB 3.57Å; L15-H37 HydrophobicContact CD2-CB 4.06Å; L15-H37 HydrophobicContact CG-CB 3.75Å; L15-I64 HydrophobicContact CD2-CG2 3.91Å; L15-W815 HydrophobicContact CD1-CD2 4.43Å; L15-W815 HydrophobicContact CD1-CG 3.97Å |
| 16 | S | 81.2 | Confident | 86.1 | Confident | 21 Ų | 21 | 20.3 Ų | 20.3 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9 | 168.7 | 79.9 | 0 | 0 | 0 | 0 | 112.8 | D14 G18 V19 A20 | D14-S16 PolarHBondContact O-N 3.12Å; D14-S16 WeakPolarHBondContact OD1-CB 3.48Å; D14-S16 PolarHBondContact OD1-N 3.22Å; D14-S16 PolarHBondContact OD1-OG 2.9Å; D14-S16 PolarHBondContact OD2-OG 2.76Å; D14-S16 VanDerWaalsContact OD2-OG 3.08Å; S16-G18 PolarHBondContact O-N 3.39Å; S16-G18 PolarHBondContact OG-N 3.27Å; S16-V19 WeakPolarHBondContact O-CB 3.41Å; S16-V19 VanDerWaalsContact O-CG2 3.26Å; S16-V19 WeakPolarHBondContact O-CG2 3.47Å; S16-V19 PolarHBondContact O-N 3.31Å; S16-V19 VanDerWaalsContact O-N 3.11Å; S16-V19 PolarHBondContact OG-N 3.07Å; S16-A20 WeakPolarHBondContact OG-CB 3.36Å; S16-A20 PolarHBondContact OG-N 3.1Å |
| 17 | G | 77.7 | Confident | 84.9 | Confident | 10 Ų | 10 | 20 Ų | 20 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 31.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D14 R418 T420 D421 | D14-G17 WeakPolarHBondContact O-CA 2.97Å; D14-G17 PolarHBondContact O-N 3Å; G17-R418 PolarHBondContact O-NH1 2.87Å; G17-T420 CarbonylContact O-C 3.3Å; G17-T420 WeakPolarHBondContact O-CA 3.4Å; G17-D421 WeakPolarHBondContact CA-OD2 3.44Å; G17-D421 PolarHBondContact O-N 2.84Å |
| 18 | G | 79 | Confident | 83.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | -10.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D14 S16 K21 | D14-G18 VanDerWaalsContact OD2-CA 3.32Å; D14-G18 WeakPolarHBondContact OD2-CA 3.32Å; D14-G18 PolarHBondContact OD2-N 2.9Å; S16-G18 PolarHBondContact O-N 3.39Å; S16-G18 PolarHBondContact OG-N 3.27Å; G18-K21 PolarHBondContact O-N 2.95Å |
| 19 | V | 79 | Confident | 82.8 | Confident | 19 Ų | 19 | 20.2 Ų | 20.2 | 12% | 0.115 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.5 | -38.5 | -176.4 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | S16 K21 I22 L23 F310 T420 | S16-V19 WeakPolarHBondContact O-CB 3.41Å; S16-V19 VanDerWaalsContact O-CG2 3.26Å; S16-V19 WeakPolarHBondContact O-CG2 3.47Å; S16-V19 PolarHBondContact O-N 3.31Å; S16-V19 VanDerWaalsContact O-N 3.11Å; S16-V19 PolarHBondContact OG-N 3.07Å; V19-K21 PolarHBondContact O-N 3.18Å; V19-I22 PolarHBondContact O-N 3.12Å; V19-L23 HydrophobicContact CG1-CB 4.37Å; V19-L23 HydrophobicContact CG1-CD1 3.52Å; V19-L23 HydrophobicContact CG1-CG 3.96Å; V19-L23 PolarHBondContact O-N 3.36Å; V19-F310 HydrophobicContact CG1-CD1 4.27Å; V19-F310 HydrophobicContact CG1-CE1 4.16Å; V19-F310 HydrophobicContact CG2-CB 4.22Å; V19-F310 HydrophobicContact CG2-CD1 3.76Å; V19-F310 HydrophobicContact CG2-CD2 3.29Å; V19-F310 HydrophobicContact CG2-CE1 3.83Å; V19-F310 HydrophobicContact CG2-CE2 3.38Å; V19-F310 HydrophobicContact CG2-CG 3.47Å; V19-F310 VanDerWaalsContact CG2-CG 3.47Å; V19-F310 HydrophobicContact CG2-CZ 3.64Å; V19-T420 HydrophobicContact CG2-CG2 4.26Å |
| 20 | A | 82.6 | Confident | 81.9 | Confident | 10 Ų | 10 | 17.5 Ų | 17.5 | 8% | 0.083 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.9 | -42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S16 I22 L23 S24 L32 V35 | S16-A20 WeakPolarHBondContact OG-CB 3.36Å; S16-A20 PolarHBondContact OG-N 3.1Å; A20-I22 PolarHBondContact O-N 3.17Å; A20-L23 PolarHBondContact O-N 3.32Å; A20-S24 WeakPolarHBondContact O-CB 3.15Å; A20-S24 PolarHBondContact O-N 2.92Å; A20-S24 PolarHBondContact O-OG 2.92Å; A20-L32 CarbonylContact C-O 3.5Å; A20-L32 VanDerWaalsContact C-O 3.23Å; A20-L32 HydrophobicContact CB-CB 4.31Å; A20-V35 HydrophobicContact CB-CG2 4.17Å |
| 21 | K | 82.9 | Confident | 81.2 | Confident | 29 Ų | 29 | 20.3 Ų | 20.3 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -28.6 | 178.8 | -158.9 | 161 | -164.8 | 171.7 | 0 | 113.8 | G18 V19 H31 L32 E33 N416 F417 | G18-K21 PolarHBondContact O-N 2.95Å; V19-K21 PolarHBondContact O-N 3.18Å; K21-H31 PolarHBondContact O-CE1 3.41Å; K21-H31 VanDerWaalsContact O-CE1 3.31Å; K21-L32 VanDerWaalsContact CA-O 3.31Å; K21-L32 WeakPolarHBondContact CA-O 3.09Å; K21-L32 PolarHBondContact N-O 3.22Å; K21-E33 HydrophobicContact CD-CG 3.99Å; K21-E33 IonicContact NZ-OE1 3.49Å; K21-E33 PolarHBondContact NZ-OE1 3.26Å; K21-N416 WeakPolarHBondContact CD-O 3.42Å; K21-N416 WeakPolarHBondContact CE-O 3.34Å; K21-N416 PolarHBondContact NZ-O 3.09Å; K21-F417 HydrophobicContact CG-CD1 4.39Å |
| 22 | I | 77 | Confident | 80.6 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -87.9 | -40.9 | -179.2 | -58.4 | 170.8 | 0 | 0 | 0 | 111.2 | V19 A20 V317 F335 Y378 F417 T420 | V19-I22 PolarHBondContact O-N 3.12Å; A20-I22 PolarHBondContact O-N 3.17Å; I22-V317 HydrophobicContact CG2-CG1 4.12Å; I22-F335 HydrophobicContact CD1-CE1 4.16Å; I22-F335 HydrophobicContact CG1-CE1 4.29Å; I22-F335 HydrophobicContact CG1-CZ 4.37Å; I22-F335 HydrophobicContact CG2-CB 4.19Å; I22-F335 HydrophobicContact CG2-CD1 3.49Å; I22-F335 VanDerWaalsContact CG2-CD1 3.49Å; I22-F335 HydrophobicContact CG2-CD2 4Å; I22-F335 HydrophobicContact CG2-CE1 3.75Å; I22-F335 HydrophobicContact CG2-CE2 4.24Å; I22-F335 HydrophobicContact CG2-CG 3.61Å; I22-F335 HydrophobicContact CG2-CZ 4.11Å; I22-Y378 PolarHBondContact O-OH 3.38Å; I22-F417 HydrophobicContact CG1-CD1 3.94Å; I22-T420 HydrophobicContact CD1-CG2 3.99Å |
| 23 | L | 75.8 | Confident | 80 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -113.5 | -22.4 | -164.2 | -61.2 | -172.3 | 0 | 0 | 0 | 116.1 | V19 A20 Q25 S26 L27 V317 V337 F827 | V19-L23 HydrophobicContact CG1-CB 4.37Å; V19-L23 HydrophobicContact CG1-CD1 3.52Å; V19-L23 HydrophobicContact CG1-CG 3.96Å; V19-L23 PolarHBondContact O-N 3.36Å; A20-L23 PolarHBondContact O-N 3.32Å; L23-Q25 PolarHBondContact O-N 3.3Å; L23-Q25 VanDerWaalsContact O-N 3.15Å; L23-S26 PolarHBondContact O-N 3Å; L23-L27 HydrophobicContact CB-CD1 3.67Å; L23-L27 HydrophobicContact CB-CG 4.03Å; L23-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 HydrophobicContact CG-CD1 4.44Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 WeakPolarHBondContact O-CG 3.15Å; L23-L27 PolarHBondContact O-N 2.95Å; L23-V317 HydrophobicContact CD1-CG2 3.51Å; L23-V317 HydrophobicContact CD2-CG1 4.21Å; L23-V317 HydrophobicContact CD2-CG2 3.73Å; L23-V317 HydrophobicContact CG-CG2 3.94Å; L23-V337 HydrophobicContact CD2-CG1 4.47Å; L23-V337 HydrophobicContact CD2-CG2 3.41Å; L23-V337 VanDerWaalsContact CD2-CG2 3.41Å; L23-F827 HydrophobicContact CD1-CZ 4.41Å |
| 24 | S | 78.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52 | -44.2 | -171.1 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | A20 S26 L27 I28 G29 V30 L32 | A20-S24 WeakPolarHBondContact O-CB 3.15Å; A20-S24 PolarHBondContact O-N 2.92Å; A20-S24 PolarHBondContact O-OG 2.92Å; S24-S26 VanDerWaalsContact C-N 3.29Å; S24-S26 PolarHBondContact O-N 2.94Å; S24-L27 PolarHBondContact O-N 3.03Å; S24-I28 WeakPolarHBondContact O-CG1 3.44Å; S24-I28 PolarHBondContact O-N 2.93Å; S24-G29 PolarHBondContact O-N 2.64Å; S24-V30 CarbonylContact C-O 3.55Å; S24-V30 VanDerWaalsContact CB-O 3.27Å; S24-V30 WeakPolarHBondContact CB-O 3.08Å; S24-V30 VanDerWaalsContact O-O 3.13Å; S24-V30 PolarHBondContact OG-O 3.44Å; S24-L32 PolarHBondContact OG-N 2.85Å; S24-L32 PolarHBondContact OG-O 3.03Å |
| 25 | Q | 78.2 | Confident | 79.9 | Confident | 41 Ų | 41 | 25.3 Ų | 25.3 | 19% | 0.192 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | -179.1 | -176 | 58.1 | 66.3 | 0 | 0 | 112.8 | L23 G29 V30 H31 I371 | L23-Q25 PolarHBondContact O-N 3.3Å; L23-Q25 VanDerWaalsContact O-N 3.15Å; Q25-G29 PolarHBondContact NE2-O 3.36Å; Q25-G29 VanDerWaalsContact O-CA 3.27Å; Q25-G29 WeakPolarHBondContact O-CA 3.32Å; Q25-G29 PolarHBondContact O-N 2.66Å; Q25-V30 WeakPolarHBondContact CA-O 3.27Å; Q25-V30 PolarHBondContact N-O 2.83Å; Q25-H31 HydrophobicContact CB-CB 4.34Å; Q25-H31 VanDerWaalsContact OE1-N 3.14Å; Q25-I371 HydrophobicContact CB-CD1 3.81Å; Q25-I371 HydrophobicContact CG-CD1 3.53Å; Q25-I371 HydrophobicContact CG-CG1 3.98Å; Q25-I371 HydrophobicContact CG-CG2 3.92Å |
| 26 | S | 70.8 | Confident | 80.3 | Confident | 42 Ų | 42 | 24.7 Ų | 24.7 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -75.4 | -41.6 | 179.9 | -38.6 | 0 | 0 | 0 | 0 | 111.6 | L23 S24 D380 | L23-S26 PolarHBondContact O-N 3Å; S24-S26 VanDerWaalsContact C-N 3.29Å; S24-S26 PolarHBondContact O-N 2.94Å; S26-D380 VanDerWaalsContact CB-OD2 3.23Å; S26-D380 WeakPolarHBondContact CB-OD2 3.43Å; S26-D380 WeakPolarHBondContact OG-CB 3.4Å; S26-D380 VanDerWaalsContact OG-CG 3.3Å; S26-D380 PolarHBondContact OG-OD2 3.06Å |
| 27 | L | 72.5 | Confident | 80.8 | Confident | 44 Ų | 44 | 23.9 Ų | 23.9 | 23% | 0.23 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -84.2 | -40.6 | -169.7 | -68.6 | -173 | 0 | 0 | 0 | 113.4 | L23 S24 V826 F827 | L23-L27 HydrophobicContact CB-CD1 3.67Å; L23-L27 HydrophobicContact CB-CG 4.03Å; L23-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 HydrophobicContact CG-CD1 4.44Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 WeakPolarHBondContact O-CG 3.15Å; L23-L27 PolarHBondContact O-N 2.95Å; S24-L27 PolarHBondContact O-N 3.03Å; L27-V826 HydrophobicContact CB-CG1 3.54Å; L27-V826 HydrophobicContact CD1-CG1 3.73Å; L27-V826 HydrophobicContact CD2-CG1 3.68Å; L27-V826 HydrophobicContact CG-CG1 3.81Å; L27-F827 HydrophobicContact CD1-CE1 3.77Å; L27-F827 HydrophobicContact CD1-CE2 4.47Å; L27-F827 HydrophobicContact CD1-CZ 3.58Å; L27-F827 HydrophobicContact CD2-CD1 4.13Å; L27-F827 HydrophobicContact CD2-CE1 3.7Å; L27-F827 HydrophobicContact CD2-CZ 4.37Å; L27-F827 HydrophobicContact CG-CE1 4.39Å |
| 28 | I | 75.7 | Confident | 81.7 | Confident | 16 Ų | 16 | 23.4 Ų | 23.4 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 1 | -173.9 | 57.9 | 164.4 | 0 | 0 | 0 | 113.3 | S24 V30 L32 F134 M139 L143 | S24-I28 WeakPolarHBondContact O-CG1 3.44Å; S24-I28 PolarHBondContact O-N 2.93Å; I28-V30 HydrophobicContact CD1-CG2 3.63Å; I28-V30 HydrophobicContact CG1-CG2 3.92Å; I28-V30 PolarHBondContact O-N 2.61Å; I28-L32 HydrophobicContact CD1-CD1 3.62Å; I28-L32 HydrophobicContact CD1-CG 4.13Å; I28-F134 HydrophobicContact CD1-CD2 3.66Å; I28-F134 HydrophobicContact CD1-CE2 4.05Å; I28-F134 HydrophobicContact CG2-CE2 4.45Å; I28-M139 HydrophobicContact CB-CB 3.94Å; I28-M139 HydrophobicContact CB-CG 4.48Å; I28-M139 HydrophobicContact CG2-CB 4.04Å; I28-L143 HydrophobicContact CG2-CD1 4.31Å |
| 29 | G | 74.9 | Confident | 82.5 | Confident | 42 Ų | 42 | 23.4 Ų | 23.4 | 43% | 0.433 | 13% | 0.134 | S | C | . | . | S | Bend | trans | 79.3 | -1.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S24 Q25 | S24-G29 PolarHBondContact O-N 2.64Å; Q25-G29 PolarHBondContact NE2-O 3.36Å; Q25-G29 VanDerWaalsContact O-CA 3.27Å; Q25-G29 WeakPolarHBondContact O-CA 3.32Å; Q25-G29 PolarHBondContact O-N 2.66Å |
| 30 | V | 80.8 | Confident | 83.5 | Confident | 35 Ų | 35 | 22.5 Ų | 22.5 | 21% | 0.212 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -127.3 | 141.4 | 175.4 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | S24 Q25 I28 L32 S137 | S24-V30 CarbonylContact C-O 3.55Å; S24-V30 VanDerWaalsContact CB-O 3.27Å; S24-V30 WeakPolarHBondContact CB-O 3.08Å; S24-V30 VanDerWaalsContact O-O 3.13Å; S24-V30 PolarHBondContact OG-O 3.44Å; Q25-V30 WeakPolarHBondContact CA-O 3.27Å; Q25-V30 PolarHBondContact N-O 2.83Å; I28-V30 HydrophobicContact CD1-CG2 3.63Å; I28-V30 HydrophobicContact CG1-CG2 3.92Å; I28-V30 PolarHBondContact O-N 2.61Å; V30-L32 HydrophobicContact CG2-CD2 4.4Å; V30-S137 VanDerWaalsContact CG1-CB 3.41Å |
| 31 | H | 82.8 | Confident | 84.2 | Confident | 58 Ų | 58 | 22 Ų | 22 | 27% | 0.269 | 12% | 0.124 | S | C | . | . | trans | -82 | 121.1 | 175.1 | -178.1 | 68.4 | 0 | 0 | 0 | 110.9 | K21 Q25 F373 | K21-H31 PolarHBondContact O-CE1 3.41Å; K21-H31 VanDerWaalsContact O-CE1 3.31Å; Q25-H31 HydrophobicContact CB-CB 4.34Å; Q25-H31 VanDerWaalsContact OE1-N 3.14Å; H31-F373 HydrophobicContact CB-CE1 3.9Å; H31-F373 HydrophobicContact CB-CZ 3.92Å; H31-F373 AromaticContact CD2-CE1 3.28Å; H31-F373 WeakPolarHBondContact CD2-CE1 3.5Å; H31-F373 AromaticContact CD2-CZ 3.7Å; H31-F373 AromaticContact CE1-CE1 3.99Å; H31-F373 AromaticContact CE1-CZ 3.7Å; H31-F373 AromaticContact CG-CE1 3.41Å; H31-F373 VanDerWaalsContact CG-CE1 3.41Å; H31-F373 AromaticContact CG-CZ 3.41Å; H31-F373 VanDerWaalsContact CG-CZ 3.41Å; H31-F373 AromaticContact ND1-CE1 3.88Å; H31-F373 AromaticContact ND1-CZ 3.44Å; H31-F373 WeakPolarHBondContact ND1-CZ 3.14Å; H31-F373 AromaticContact NE2-CE1 3.67Å; H31-F373 AromaticContact NE2-CZ 3.87Å | ||
| 32 | L | 84.9 | Confident | 84.9 | Confident | 16 Ų | 16 | 20.7 Ų | 20.7 | 8% | 0.084 | 12% | 0.118 | C | C | . | . | trans | -110.3 | 126.3 | 171.9 | -58.2 | -179.1 | 0 | 0 | 0 | 109 | A20 K21 S24 I28 V30 G34 F134 | A20-L32 CarbonylContact C-O 3.5Å; A20-L32 VanDerWaalsContact C-O 3.23Å; A20-L32 HydrophobicContact CB-CB 4.31Å; K21-L32 VanDerWaalsContact CA-O 3.31Å; K21-L32 WeakPolarHBondContact CA-O 3.09Å; K21-L32 PolarHBondContact N-O 3.22Å; S24-L32 PolarHBondContact OG-N 2.85Å; S24-L32 PolarHBondContact OG-O 3.03Å; I28-L32 HydrophobicContact CD1-CD1 3.62Å; I28-L32 HydrophobicContact CD1-CG 4.13Å; V30-L32 HydrophobicContact CG2-CD2 4.4Å; L32-G34 PolarHBondContact O-N 2.77Å; L32-F134 HydrophobicContact CD1-CD2 4.5Å | ||
| 33 | E | 84.2 | Confident | 85.8 | Confident | 79 Ų | 79 | 22.4 Ų | 22.4 | 37% | 0.369 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -69 | -26.2 | 176.1 | -174 | 171.5 | -159.2 | 0 | 0 | 112.5 | K21 W36 | K21-E33 HydrophobicContact CD-CG 3.99Å; K21-E33 IonicContact NZ-OE1 3.49Å; K21-E33 PolarHBondContact NZ-OE1 3.26Å; E33-W36 HydrophobicContact CB-CZ2 3.83Å; E33-W36 HydrophobicContact CG-CH2 4.21Å; E33-W36 HydrophobicContact CG-CZ2 3.69Å |
| 34 | G | 86.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -174.5 | 169 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D14 L32 | D14-G34 WeakPolarHBondContact OD1-CA 3.32Å; L32-G34 PolarHBondContact O-N 2.77Å | ||
| 35 | V | 88.3 | Confident | 87.6 | Confident | 22 Ų | 22 | 25.6 Ų | 25.6 | 13% | 0.133 | 15% | 0.15 | C | C | . | . | trans | -99.2 | 93.3 | 166.5 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | D14 L15 A20 F130 W815 | D14-V35 PolarHBondContact OD1-N 2.8Å; L15-V35 HydrophobicContact CB-CB 4.37Å; L15-V35 HydrophobicContact CB-CG1 4.21Å; L15-V35 PolarHBondContact N-O 3.34Å; A20-V35 HydrophobicContact CB-CG2 4.17Å; V35-F130 HydrophobicContact CG1-CE2 4.29Å; V35-W815 HydrophobicContact CG1-CD2 4.37Å; V35-W815 HydrophobicContact CG1-CE3 4.36Å; V35-W815 HydrophobicContact CG1-CH2 3.5Å; V35-W815 HydrophobicContact CG1-CZ2 3.47Å; V35-W815 VanDerWaalsContact CG1-CZ2 3.47Å; V35-W815 HydrophobicContact CG1-CZ3 3.97Å | ||
| 36 | W | 92.1 | Very high | 88.4 | Confident | 20 Ų | 20 | 23.7 Ų | 23.7 | 8% | 0.076 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 129.6 | -165.4 | -55.5 | 122.1 | 0 | 0 | 0 | 113.1 | I12 Y13 D14 E33 N108 I127 F130 | I12-W36 HydrophobicContact CG2-CD2 4.27Å; I12-W36 HydrophobicContact CG2-CE3 3.61Å; I12-W36 HydrophobicContact CG2-CZ3 4.08Å; Y13-W36 CarbonylContact O-C 3.59Å; Y13-W36 WeakPolarHBondContact O-CA 3.29Å; D14-W36 HydrophobicContact CB-CE3 4.12Å; D14-W36 HydrophobicContact CB-CZ3 3.75Å; E33-W36 HydrophobicContact CB-CZ2 3.83Å; E33-W36 HydrophobicContact CG-CH2 4.21Å; E33-W36 HydrophobicContact CG-CZ2 3.69Å; W36-N108 PolarHBondContact O-ND2 2.93Å; W36-I127 HydrophobicContact CB-CG2 3.95Å; W36-I127 HydrophobicContact CG-CG1 4.32Å; W36-F130 HydrophobicContact CB-CD1 3.93Å; W36-F130 HydrophobicContact CB-CE1 3.75Å; W36-F130 HydrophobicContact CB-CZ 4.45Å; W36-F130 AromaticContact CD1-CD1 3.73Å; W36-F130 AromaticContact CD1-CG 3.98Å; W36-F130 HydrophobicContact CG-CD1 4.23Å; W36-F130 HydrophobicContact CG-CE1 4.49Å; W36-F130 VanDerWaalsContact O-CE1 3.29Å; W36-F130 WeakPolarHBondContact O-CE1 3.38Å; W36-F130 WeakPolarHBondContact O-CZ 3.38Å |
| 37 | H | 92.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 2% | 0.023 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.3 | 165.5 | 178.9 | 105.8 | 0 | 0 | 0 | 109 | Y13 L15 I64 C107 D809 | Y13-H37 PolarHBondContact N-O 3.29Å; Y13-H37 PolarHBondContact O-N 2.92Å; L15-H37 HydrophobicContact CD1-CB 3.57Å; L15-H37 HydrophobicContact CD2-CB 4.06Å; L15-H37 HydrophobicContact CG-CB 3.75Å; H37-I64 VanDerWaalsContact NE2-CD1 3.31Å; H37-I64 WeakPolarHBondContact NE2-CD1 3.48Å; H37-C107 PolarHBondContact CE1-SG 3.16Å; H37-C107 PolarHBondContact NE2-SG 2.71Å; H37-D809 IonicContact CE1-OD2 2.62Å; H37-D809 PolarHBondContact CE1-OD2 2.86Å; H37-D809 IonicContact NE2-OD2 2.69Å |
| 38 | T | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 153.5 | -176.7 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | L10 F11 I12 N108 T111 I127 | L10-T38 HydrophobicContact CD1-CG2 4.04Å; L10-T38 HydrophobicContact CG-CG2 4.37Å; F11-T38 WeakPolarHBondContact O-CA 3.4Å; F11-T38 WeakPolarHBondContact O-CB 3.48Å; I12-T38 HydrophobicContact CB-CG2 4.39Å; I12-T38 HydrophobicContact CG1-CG2 4.07Å; I12-T38 HydrophobicContact CG2-CG2 4.31Å; T38-N108 WeakPolarHBondContact CB-OD1 3.41Å; T38-N108 WeakPolarHBondContact CG2-OD1 3.46Å; T38-N108 PolarHBondContact N-OD1 2.72Å; T38-N108 WeakPolarHBondContact OG1-CA 3.39Å; T38-N108 PolarHBondContact OG1-OD1 3.07Å; T38-T111 WeakPolarHBondContact O-CG2 3.22Å; T38-T111 WeakPolarHBondContact OG1-CG2 3.48Å; T38-T111 PolarHBondContact OG1-OG1 3.21Å; T38-I127 HydrophobicContact CG2-CD1 4.3Å; T38-I127 HydrophobicContact CG2-CG2 3.65Å |
| 39 | S | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 159.4 | 169.8 | 60.9 | 0 | 0 | 0 | 0 | 110.7 | F11 E46 Y47 | F11-S39 WeakPolarHBondContact CB-OG 3.44Å; F11-S39 PolarHBondContact N-O 3.49Å; F11-S39 PolarHBondContact O-N 3.5Å; S39-E46 WeakPolarHBondContact CB-OE1 3.46Å; S39-E46 VanDerWaalsContact OG-CD 3.28Å; S39-E46 WeakPolarHBondContact OG-CG 3.33Å; S39-E46 PolarHBondContact OG-OE1 2.91Å; S39-Y47 VanDerWaalsContact CA-O 3.32Å; S39-Y47 WeakPolarHBondContact CA-O 3.49Å; S39-Y47 VanDerWaalsContact CB-O 3.29Å; S39-Y47 WeakPolarHBondContact CB-O 3.26Å |
| 40 | I | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.8 | 175.8 | -68.2 | -69.9 | 0 | 0 | 0 | 109.3 | V8 L10 V42 E46 Y47 L73 T111 V114 L118 | V8-I40 HydrophobicContact CG1-CG2 3.95Å; L10-I40 HydrophobicContact CD1-CD1 4.1Å; I40-V42 HydrophobicContact CG2-CG1 4.12Å; I40-E46 CarbonylContact O-C 3.54Å; I40-E46 WeakPolarHBondContact O-CA 3.49Å; I40-Y47 PolarHBondContact N-O 3.03Å; I40-Y47 WeakPolarHBondContact O-CD2 3.1Å; I40-Y47 PolarHBondContact O-N 3.07Å; I40-L73 HydrophobicContact CD1-CD1 3.4Å; I40-L73 VanDerWaalsContact CD1-CD1 3.4Å; I40-T111 HydrophobicContact CG1-CG2 4.03Å; I40-V114 HydrophobicContact CB-CG1 4.14Å; I40-V114 HydrophobicContact CG1-CB 4.22Å; I40-V114 HydrophobicContact CG1-CG1 3.81Å; I40-V114 HydrophobicContact CG2-CG1 4.02Å; I40-L118 HydrophobicContact CG2-CD1 4.06Å |
| 41 | S | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119 | 172.9 | 140.5 | 0 | 0 | 0 | 0 | 110 | R9 F11 M45 E59 | R9-S41 PolarHBondContact N-O 2.79Å; R9-S41 PolarHBondContact O-N 2.95Å; F11-S41 VanDerWaalsContact CE1-CB 3.48Å; F11-S41 VanDerWaalsContact CZ-CB 3.41Å; S41-M45 VanDerWaalsContact CA-O 3.29Å; S41-M45 WeakPolarHBondContact CA-O 3.18Å; S41-E59 PolarHBondContact OG-OE1 2.8Å |
| 42 | V | 98.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 149.8 | 176.1 | 63.3 | 0 | 0 | 0 | 0 | 109.6 | H6 V8 I40 G44 M45 Y47 T76 F83 L118 | H6-V42 HydrophobicContact CB-CG2 4.08Å; V8-V42 HydrophobicContact CG2-CB 4.35Å; V8-V42 HydrophobicContact CG2-CG2 3.91Å; I40-V42 HydrophobicContact CG2-CG1 4.12Å; V42-G44 PolarHBondContact O-N 3.11Å; V42-G44 VanDerWaalsContact O-N 3.15Å; V42-M45 PolarHBondContact N-O 3.37Å; V42-M45 PolarHBondContact O-N 3Å; V42-Y47 HydrophobicContact CG1-CD2 4.05Å; V42-Y47 HydrophobicContact CG1-CE2 3.68Å; V42-T76 HydrophobicContact CG2-CG2 4.14Å; V42-F83 HydrophobicContact CG1-CE1 4.14Å; V42-L118 HydrophobicContact CG1-CD1 4.07Å |
| 43 | Y | 96.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 17.6 Ų | 17.6 | 15% | 0.153 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 22.9 | -176.5 | -37.6 | -65.3 | 0 | 0 | 0 | 114.3 | H6 M45 Y47 T76 I78 Q80 F83 | H6-Y43 HydrophobicContact CB-CD1 3.94Å; H6-Y43 HydrophobicContact CB-CE1 3.65Å; H6-Y43 AromaticContact CD2-CD1 3.9Å; H6-Y43 AromaticContact CD2-CE1 3.43Å; H6-Y43 VanDerWaalsContact CD2-CE1 3.43Å; H6-Y43 WeakPolarHBondContact CD2-CE1 3.49Å; H6-Y43 AromaticContact CG-CD1 3.58Å; H6-Y43 AromaticContact CG-CE1 3.42Å; H6-Y43 VanDerWaalsContact CG-CE1 3.42Å; H6-Y43 AromaticContact ND1-CD1 3.71Å; Y43-M45 PolarHBondContact O-N 2.81Å; Y43-Y47 HydrophobicContact CD2-CE2 4.48Å; Y43-T76 HydrophobicContact CE1-CG2 4.42Å; Y43-T76 WeakPolarHBondContact OH-CG2 3.29Å; Y43-I78 PolarHBondContact OH-O 3.48Å; Y43-Q80 HydrophobicContact CD1-CB 4.15Å; Y43-Q80 HydrophobicContact CD2-CB 4.03Å; Y43-Q80 HydrophobicContact CD2-CG 3.79Å; Y43-Q80 HydrophobicContact CE1-CB 4.37Å; Y43-Q80 HydrophobicContact CE2-CB 4.27Å; Y43-Q80 HydrophobicContact CE2-CG 4.33Å; Y43-Q80 HydrophobicContact CG-CB 4.01Å; Y43-Q80 HydrophobicContact CG-CG 4Å; Y43-F83 HydrophobicContact CD2-CD1 4.32Å; Y43-F83 HydrophobicContact CE2-CB 4.19Å; Y43-F83 AromaticContact CE2-CD1 3.64Å; Y43-F83 HydrophobicContact CE2-CD1 3.64Å; Y43-F83 HydrophobicContact CE2-CE1 4.39Å; Y43-F83 HydrophobicContact CE2-CG 4.19Å |
| 44 | G | 93.7 | Very high | 93 | Very high | 40 Ų | 40 | 15.7 Ų | 15.7 | 41% | 0.412 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 10.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V42 E59 | V42-G44 PolarHBondContact O-N 3.11Å; V42-G44 VanDerWaalsContact O-N 3.15Å; G44-E59 PolarHBondContact O-N 2.83Å |
| 45 | M | 96.8 | Very high | 93.2 | Very high | 38 Ų | 38 | 16.9 Ų | 16.9 | 19% | 0.187 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.7 | 177.4 | -55.6 | -55.1 | -71.3 | 0 | 0 | 110.5 | S41 V42 Y43 Y47 Y56 T57 P58 | S41-M45 VanDerWaalsContact CA-O 3.29Å; S41-M45 WeakPolarHBondContact CA-O 3.18Å; V42-M45 PolarHBondContact N-O 3.37Å; V42-M45 PolarHBondContact O-N 3Å; Y43-M45 PolarHBondContact O-N 2.81Å; M45-Y47 HydrophobicContact CB-CD2 4.4Å; M45-Y47 HydrophobicContact CB-CE2 3.61Å; M45-Y56 HydrophobicContact CB-CD2 4.41Å; M45-Y56 HydrophobicContact CE-CD2 3.47Å; M45-Y56 VanDerWaalsContact CE-CD2 3.47Å; M45-Y56 HydrophobicContact CE-CE2 3.83Å; M45-Y56 HydrophobicContact CG-CD2 4.43Å; M45-T57 CarbonylContact C-O 3.51Å; M45-T57 WeakPolarHBondContact CA-O 3.23Å; M45-T57 WeakPolarHBondContact CE-O 3.47Å; M45-P58 HydrophobicContact CE-CG 4.34Å |
| 46 | E | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.8 | 175.9 | -176.8 | -177.2 | 162.2 | 0 | 0 | 109 | F11 Y13 S39 I40 Y56 T57 F60 S62 | F11-E46 HydrophobicContact CD2-CG 4.14Å; F11-E46 HydrophobicContact CE2-CG 4.48Å; Y13-E46 PolarHBondContact OH-OE1 3.35Å; S39-E46 WeakPolarHBondContact CB-OE1 3.46Å; S39-E46 VanDerWaalsContact OG-CD 3.28Å; S39-E46 WeakPolarHBondContact OG-CG 3.33Å; S39-E46 PolarHBondContact OG-OE1 2.91Å; I40-E46 CarbonylContact O-C 3.54Å; I40-E46 WeakPolarHBondContact O-CA 3.49Å; E46-Y56 CarbonylContact O-C 3.4Å; E46-Y56 WeakPolarHBondContact O-CA 3.17Å; E46-Y56 VanDerWaalsContact O-CB 3.32Å; E46-Y56 WeakPolarHBondContact O-CB 2.81Å; E46-T57 PolarHBondContact N-O 2.98Å; E46-T57 PolarHBondContact O-N 2.91Å; E46-F60 PolarHBondContact OE2-N 3Å; E46-F60 VanDerWaalsContact OE2-N 3.07Å; E46-S62 WeakPolarHBondContact OE1-CB 3.35Å; E46-S62 PolarHBondContact OE1-OG 2.75Å; E46-S62 PolarHBondContact OE2-OG 3.21Å |
| 47 | Y | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129 | -175.8 | -60.1 | -95.5 | 0 | 0 | 0 | 110.5 | S39 I40 V42 Y43 M45 Y56 F83 H84 L87 | S39-Y47 VanDerWaalsContact CA-O 3.32Å; S39-Y47 WeakPolarHBondContact CA-O 3.49Å; S39-Y47 VanDerWaalsContact CB-O 3.29Å; S39-Y47 WeakPolarHBondContact CB-O 3.26Å; I40-Y47 PolarHBondContact N-O 3.03Å; I40-Y47 WeakPolarHBondContact O-CD2 3.1Å; I40-Y47 PolarHBondContact O-N 3.07Å; V42-Y47 HydrophobicContact CG1-CD2 4.05Å; V42-Y47 HydrophobicContact CG1-CE2 3.68Å; Y43-Y47 HydrophobicContact CD2-CE2 4.48Å; M45-Y47 HydrophobicContact CB-CD2 4.4Å; M45-Y47 HydrophobicContact CB-CE2 3.61Å; Y47-Y56 HydrophobicContact CD1-CD1 4.29Å; Y47-Y56 AromaticContact CD1-CG 3.93Å; Y47-Y56 HydrophobicContact CD1-CG 3.93Å; Y47-Y56 HydrophobicContact CE1-CD1 4.09Å; Y47-Y56 HydrophobicContact CE1-CD2 4.16Å; Y47-Y56 AromaticContact CE1-CG 3.7Å; Y47-Y56 HydrophobicContact CE1-CG 3.7Å; Y47-F83 AromaticContact CD1-CE1 3.94Å; Y47-F83 HydrophobicContact CD1-CE1 3.94Å; Y47-F83 AromaticContact CD2-CE1 3.93Å; Y47-F83 HydrophobicContact CD2-CE1 3.93Å; Y47-F83 HydrophobicContact CE1-CD1 4.28Å; Y47-F83 AromaticContact CE1-CE1 3.78Å; Y47-F83 HydrophobicContact CE1-CE1 3.78Å; Y47-F83 HydrophobicContact CE2-CD1 4.42Å; Y47-F83 AromaticContact CE2-CE1 3.77Å; Y47-F83 HydrophobicContact CE2-CE1 3.77Å; Y47-F83 HydrophobicContact CG-CE1 4.02Å; Y47-F83 HydrophobicContact CG-CZ 4.49Å; Y47-F83 AromaticContact CZ-CE1 3.7Å; Y47-H84 AromaticContact CE1-CD2 3.96Å; Y47-H84 AromaticContact CE1-NE2 3.58Å; Y47-H84 AromaticContact CZ-NE2 3.69Å; Y47-H84 PolarHBondContact OH-NE2 3.1Å; Y47-L87 HydrophobicContact CD1-CD1 3.35Å; Y47-L87 HydrophobicContact CE1-CD1 3.53Å; Y47-L87 HydrophobicContact CG-CD1 4.36Å |
| 48 | L | 93.1 | Very high | 93 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 164.3 | -174.5 | 55.5 | 120.1 | 0 | 0 | 0 | 111.8 | I54 S55 D809 | L48-I54 WeakPolarHBondContact O-CA 3.42Å; L48-S55 VanDerWaalsContact CD1-OG 3.27Å; L48-S55 WeakPolarHBondContact CD1-OG 3.2Å; L48-S55 PolarHBondContact N-O 3.03Å; L48-S55 PolarHBondContact O-N 3.35Å; L48-D809 HydrophobicContact CD1-CB 3.77Å |
| 49 | Y | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 110.3 | -176.2 | 168.4 | -118.9 | 0 | 0 | 0 | 112.6 | I54 F95 R96 Y100 H105 C107 F110 | Y49-I54 HydrophobicContact CD2-CG1 4.26Å; Y49-F95 AromaticContact CD1-CD1 3.67Å; Y49-F95 HydrophobicContact CD1-CD1 3.67Å; Y49-F95 HydrophobicContact CD1-CE1 4.35Å; Y49-F95 HydrophobicContact CD2-CB 3.89Å; Y49-F95 HydrophobicContact CD2-CD1 4.37Å; Y49-F95 AromaticContact CE1-CD1 3.59Å; Y49-F95 HydrophobicContact CE1-CD1 3.59Å; Y49-F95 HydrophobicContact CE1-CE1 4.35Å; Y49-F95 VanDerWaalsContact CE2-C 3.45Å; Y49-F95 HydrophobicContact CE2-CB 3.78Å; Y49-F95 HydrophobicContact CE2-CD1 4.32Å; Y49-F95 WeakPolarHBondContact CE2-O 3.45Å; Y49-F95 HydrophobicContact CG-CB 4.35Å; Y49-F95 HydrophobicContact CG-CD1 4.06Å; Y49-F95 AromaticContact CZ-CD1 3.92Å; Y49-R96 PolarHBondContact OH-O 3.22Å; Y49-Y100 AromaticContact CD1-CD2 3.93Å; Y49-Y100 HydrophobicContact CD1-CD2 3.93Å; Y49-Y100 HydrophobicContact CD1-CE2 4.3Å; Y49-Y100 AromaticContact CE1-CD2 3.56Å; Y49-Y100 HydrophobicContact CE1-CD2 3.56Å; Y49-Y100 HydrophobicContact CE1-CE2 4.29Å; Y49-Y100 HydrophobicContact CE1-CG 4.46Å; Y49-Y100 HydrophobicContact CE2-CD2 4.45Å; Y49-Y100 AromaticContact CZ-CD2 3.87Å; Y49-Y100 VanDerWaalsContact O-CE2 3.23Å; Y49-Y100 WeakPolarHBondContact O-CE2 3.23Å; Y49-Y100 VanDerWaalsContact OH-CA 3.32Å; Y49-Y100 WeakPolarHBondContact OH-CA 3.4Å; Y49-Y100 PolarHBondContact OH-N 3.18Å; Y49-Y100 VanDerWaalsContact OH-N 3.16Å; Y49-H105 PolarHBondContact OH-CD2 3.1Å; Y49-C107 VanDerWaalsContact C-SG 3.51Å; Y49-C107 PolarHBondContact N-SG 3.2Å; Y49-C107 PolarHBondContact O-SG 3.33Å; Y49-F110 VanDerWaalsContact CB-CD1 3.49Å; Y49-F110 HydrophobicContact CD1-CB 3.8Å; Y49-F110 HydrophobicContact CD1-CG 4.47Å; Y49-F110 HydrophobicContact CG-CB 3.95Å; Y49-F110 HydrophobicContact CG-CD2 4.5Å; Y49-F110 HydrophobicContact CG-CG 4.13Å |
| 50 | G | 87.6 | Confident | 91.7 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -167.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H52 G53 Y100 | G50-H52 PolarHBondContact O-N 3.17Å; G50-H52 VanDerWaalsContact O-N 3.08Å; G50-G53 PolarHBondContact N-O 2.86Å; G50-G53 PolarHBondContact O-N 3Å; G50-Y100 VanDerWaalsContact C-CD2 3.4Å |
| 51 | S | 83.2 | Confident | 90.6 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.3 | 170.6 | 57.6 | 0 | 0 | 0 | 0 | 114 | G97 | S51-G97 CarbonylContact O-C 3.56Å; S51-G97 VanDerWaalsContact O-C 3.31Å; S51-G97 WeakPolarHBondContact O-CA 3.41Å |
| 52 | H | 82.8 | Confident | 89.4 | Confident | 100 Ų | 100 | 35.9 Ų | 35.9 | 46% | 0.463 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.3 | 172.2 | -60.7 | 93.3 | 0 | 0 | 0 | 113.7 | G50 R158 | G50-H52 PolarHBondContact O-N 3.17Å; G50-H52 VanDerWaalsContact O-N 3.08Å; H52-R158 PolarHBondContact CD2-NH1 3.01Å; H52-R158 PolarHBondContact CE1-NH1 3.09Å; H52-R158 VanDerWaalsContact CE1-NH1 3.31Å; H52-R158 PolarHBondContact NE2-NH1 3.41Å |
| 53 | G | 89.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.6 | -161.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G50 | G50-G53 PolarHBondContact N-O 2.86Å; G50-G53 PolarHBondContact O-N 3Å |
| 54 | I | 94.5 | Very high | 86.6 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 20% | 0.2 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 135.2 | 176.9 | -60 | 169.6 | 0 | 0 | 0 | 108.8 | L48 Y49 L87 L90 F95 F110 | L48-I54 WeakPolarHBondContact O-CA 3.42Å; Y49-I54 HydrophobicContact CD2-CG1 4.26Å; I54-L87 HydrophobicContact CD1-CD2 4.32Å; I54-L87 WeakPolarHBondContact CD1-O 3.16Å; I54-L87 HydrophobicContact CG2-CD1 4.47Å; I54-L87 HydrophobicContact CG2-CD2 4.34Å; I54-L90 HydrophobicContact CD1-CB 3.86Å; I54-F95 HydrophobicContact CD1-CB 3.94Å; I54-F95 HydrophobicContact CG1-CB 3.95Å; I54-F110 HydrophobicContact CD1-CD2 4.31Å; I54-F110 HydrophobicContact CD1-CE2 3.6Å; I54-F110 HydrophobicContact CD1-CZ 4.33Å; I54-F110 HydrophobicContact CG1-CD2 4.22Å; I54-F110 HydrophobicContact CG1-CE2 3.65Å; I54-F110 HydrophobicContact CG1-CZ 4.13Å; I54-F110 HydrophobicContact CG2-CE2 4.22Å; I54-F110 HydrophobicContact CG2-CZ 3.88Å |
| 55 | S | 91.5 | Very high | 85.2 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.1 | 172.5 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | L48 | L48-S55 VanDerWaalsContact CD1-OG 3.27Å; L48-S55 WeakPolarHBondContact CD1-OG 3.2Å; L48-S55 PolarHBondContact N-O 3.03Å; L48-S55 PolarHBondContact O-N 3.35Å |
| 56 | Y | 93.8 | Very high | 84.2 | Confident | 97 Ų | 97 | 37.9 Ų | 37.9 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 148.2 | 175 | 64.8 | -83.3 | 0 | 0 | 0 | 112.5 | M45 E46 Y47 | M45-Y56 HydrophobicContact CB-CD2 4.41Å; M45-Y56 HydrophobicContact CE-CD2 3.47Å; M45-Y56 VanDerWaalsContact CE-CD2 3.47Å; M45-Y56 HydrophobicContact CE-CE2 3.83Å; M45-Y56 HydrophobicContact CG-CD2 4.43Å; E46-Y56 CarbonylContact O-C 3.4Å; E46-Y56 WeakPolarHBondContact O-CA 3.17Å; E46-Y56 VanDerWaalsContact O-CB 3.32Å; E46-Y56 WeakPolarHBondContact O-CB 2.81Å; Y47-Y56 HydrophobicContact CD1-CD1 4.29Å; Y47-Y56 AromaticContact CD1-CG 3.93Å; Y47-Y56 HydrophobicContact CD1-CG 3.93Å; Y47-Y56 HydrophobicContact CE1-CD1 4.09Å; Y47-Y56 HydrophobicContact CE1-CD2 4.16Å; Y47-Y56 AromaticContact CE1-CG 3.7Å; Y47-Y56 HydrophobicContact CE1-CG 3.7Å |
| 57 | T | 86.9 | Confident | 83.7 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 165.5 | -179.8 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | M45 E46 S62 C807 | M45-T57 CarbonylContact C-O 3.51Å; M45-T57 WeakPolarHBondContact CA-O 3.23Å; M45-T57 WeakPolarHBondContact CE-O 3.47Å; E46-T57 PolarHBondContact N-O 2.98Å; E46-T57 PolarHBondContact O-N 2.91Å; T57-S62 WeakPolarHBondContact OG1-CA 3.32Å; T57-S62 PolarHBondContact OG1-N 2.79Å; T57-C807 HydrophobicContact CG2-CB 3.81Å |
| 58 | P | 87.6 | Confident | 83 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 149.1 | 163.1 | -23.9 | 34.9 | 0 | 0 | 0 | 110.5 | M45 F60 H61 | M45-P58 HydrophobicContact CE-CG 4.34Å; P58-F60 PolarHBondContact O-N 2.94Å; P58-H61 HydrophobicContact CB-CB 4.32Å; P58-H61 WeakPolarHBondContact O-CB 3.32Å; P58-H61 PolarHBondContact O-N 2.94Å |
| 59 | E | 87.1 | Confident | 82.9 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 134.9 | 178.7 | -73.6 | 176.6 | 176.3 | 0 | 0 | 111.6 | R9 F11 S41 G44 H61 | R9-E59 IonicContact NH1-OE1 3.21Å; F11-E59 HydrophobicContact CE2-CB 4.4Å; F11-E59 HydrophobicContact CE2-CG 4.4Å; F11-E59 HydrophobicContact CZ-CG 4.3Å; S41-E59 PolarHBondContact OG-OE1 2.8Å; G44-E59 PolarHBondContact O-N 2.83Å; E59-H61 PolarHBondContact O-N 2.95Å; E59-H61 PolarHBondContact O-ND1 2.85Å |
| 60 | F | 79.5 | Confident | 83 | Confident | 101 Ų | 101 | 48.9 Ų | 48.9 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 13.3 | 179.7 | -41.8 | -71.2 | 0 | 0 | 0 | 114.9 | F11 E46 P58 P67 I70 | F11-F60 HydrophobicContact CE1-CE1 4.44Å; F11-F60 AromaticContact CE2-CD1 3.97Å; F11-F60 HydrophobicContact CE2-CD1 3.97Å; F11-F60 AromaticContact CE2-CE1 3.66Å; F11-F60 HydrophobicContact CE2-CE1 3.66Å; F11-F60 HydrophobicContact CE2-CZ 4.09Å; F11-F60 HydrophobicContact CZ-CD1 4.37Å; F11-F60 AromaticContact CZ-CE1 3.62Å; F11-F60 HydrophobicContact CZ-CE1 3.62Å; F11-F60 HydrophobicContact CZ-CE2 4.43Å; F11-F60 AromaticContact CZ-CZ 3.67Å; F11-F60 HydrophobicContact CZ-CZ 3.67Å; E46-F60 PolarHBondContact OE2-N 3Å; E46-F60 VanDerWaalsContact OE2-N 3.07Å; P58-F60 PolarHBondContact O-N 2.94Å; F60-P67 HydrophobicContact CD1-CG 4.26Å; F60-P67 HydrophobicContact CE1-CG 4.03Å; F60-I70 HydrophobicContact CE1-CD1 4.02Å; F60-I70 HydrophobicContact CZ-CD1 4.19Å |
| 61 | H | 74.8 | Confident | 83.4 | Confident | 132 Ų | 132 | 50.9 Ų | 50.9 | 61% | 0.611 | 26% | 0.264 | S | S | * | . | trans | -113.2 | 13.9 | 177.9 | -62.4 | 67.7 | 0 | 0 | 0 | 113.2 | P58 E59 G63 | P58-H61 HydrophobicContact CB-CB 4.32Å; P58-H61 WeakPolarHBondContact O-CB 3.32Å; P58-H61 PolarHBondContact O-N 2.94Å; E59-H61 PolarHBondContact O-N 2.95Å; E59-H61 PolarHBondContact O-ND1 2.85Å; H61-G63 PolarHBondContact O-N 2.62Å | ||
| 62 | S | 72.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -68.8 | -16.5 | 179 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | E46 T57 I64 | E46-S62 WeakPolarHBondContact OE1-CB 3.35Å; E46-S62 PolarHBondContact OE1-OG 2.75Å; E46-S62 PolarHBondContact OE2-OG 3.21Å; T57-S62 WeakPolarHBondContact OG1-CA 3.32Å; T57-S62 PolarHBondContact OG1-N 2.79Å; S62-I64 VanDerWaalsContact C-N 3.3Å |
| 63 | G | 65.5 | Low | 84.8 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 93.6 | -24.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H61 G65 S239 | H61-G63 PolarHBondContact O-N 2.62Å; G63-G65 VanDerWaalsContact C-N 3.3Å; G63-G65 PolarHBondContact O-N 3.46Å; G63-S239 PolarHBondContact O-OG 3.42Å |
| 64 | I | 70.1 | Confident | 85.2 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -63.8 | -34.8 | -178 | -51.8 | 163.2 | 0 | 0 | 0 | 111.6 | Y13 L15 H37 S62 D809 | Y13-I64 HydrophobicContact CD1-CB 4.2Å; Y13-I64 HydrophobicContact CD1-CG2 3.51Å; Y13-I64 HydrophobicContact CD2-CG2 4.3Å; Y13-I64 HydrophobicContact CE1-CB 4.12Å; Y13-I64 HydrophobicContact CE1-CG2 3.95Å; Y13-I64 HydrophobicContact CE2-CD1 4.4Å; Y13-I64 HydrophobicContact CG-CG2 3.69Å; L15-I64 HydrophobicContact CD2-CG2 3.91Å; H37-I64 VanDerWaalsContact NE2-CD1 3.31Å; H37-I64 WeakPolarHBondContact NE2-CD1 3.48Å; S62-I64 VanDerWaalsContact C-N 3.3Å; I64-D809 WeakPolarHBondContact CD1-OD2 3.5Å; I64-D809 HydrophobicContact CG1-CB 4.35Å |
| 65 | G | 66.2 | Low | 85.3 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 19% | 0.186 | 28% | 0.281 | C | S | . | . | trans | 123.8 | -147.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y13 G63 | Y13-G65 WeakPolarHBondContact CE1-O 3.33Å; G63-G65 VanDerWaalsContact C-N 3.3Å; G63-G65 PolarHBondContact O-N 3.46Å | ||
| 66 | I | 75.4 | Confident | 85.6 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 44% | 0.436 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -92.8 | 128.7 | 179.4 | -59.1 | 173.8 | 0 | 0 | 0 | 108.7 | N68 L242 | I66-N68 PolarHBondContact O-N 2.82Å; I66-L242 HydrophobicContact CD1-CB 4.14Å |
| 67 | P | 83.9 | Confident | 85.8 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | trans | -55.8 | 132.6 | 175.3 | -19.4 | 25.8 | 0 | 0 | 0 | 111.7 | F11 I12 Y13 F60 R69 I70 | F11-P67 HydrophobicContact CB-CB 3.96Å; F11-P67 HydrophobicContact CB-CG 3.71Å; F11-P67 HydrophobicContact CD1-CG 4.06Å; F11-P67 HydrophobicContact CD2-CG 3.5Å; F11-P67 HydrophobicContact CE2-CG 4.08Å; F11-P67 HydrophobicContact CG-CB 4.14Å; F11-P67 HydrophobicContact CG-CG 3.49Å; F11-P67 VanDerWaalsContact CG-CG 3.49Å; I12-P67 CarbonylContact O-C 3.31Å; Y13-P67 HydrophobicContact CE1-CB 4.17Å; Y13-P67 HydrophobicContact CE1-CG 3.91Å; Y13-P67 HydrophobicContact CE2-CG 4.41Å; Y13-P67 WeakPolarHBondContact OH-CG 3.42Å; F60-P67 HydrophobicContact CD1-CG 4.26Å; F60-P67 HydrophobicContact CE1-CG 4.03Å; P67-R69 VanDerWaalsContact C-N 3.29Å; P67-R69 PolarHBondContact O-N 3.43Å; P67-I70 HydrophobicContact CB-CD1 4.47Å; P67-I70 HydrophobicContact CB-CG1 3.84Å; P67-I70 HydrophobicContact CG-CD1 4.29Å; P67-I70 HydrophobicContact CG-CG1 4.11Å | ||
| 68 | N | 84.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -62.4 | -39.2 | 171.7 | -59.9 | 64 | 0 | 0 | 0 | 111.3 | I12 Y13 D14 I66 R418 | I12-N68 WeakPolarHBondContact O-CA 3.45Å; I12-N68 WeakPolarHBondContact O-CB 3.5Å; I12-N68 PolarHBondContact O-N 2.87Å; Y13-N68 WeakPolarHBondContact CA-OD1 3.46Å; D14-N68 WeakPolarHBondContact CB-ND2 3.4Å; D14-N68 PolarHBondContact N-OD1 2.94Å; I66-N68 PolarHBondContact O-N 2.82Å; N68-R418 WeakPolarHBondContact ND2-CD 3.37Å; N68-R418 PolarHBondContact ND2-NE 2.98Å; N68-R418 PolarHBondContact ND2-NH2 3.28Å |
| 69 | R | 91.3 | Very high | 86.7 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.6 | 176.9 | -69.2 | 164.5 | 64.8 | -170.8 | -1 | 109.1 | I12 P67 E126 | I12-R69 HydrophobicContact CB-CB 4.15Å; I12-R69 HydrophobicContact CD1-CB 3.81Å; I12-R69 HydrophobicContact CG1-CB 4.42Å; I12-R69 PolarHBondContact N-O 3.42Å; I12-R69 PolarHBondContact O-N 3.27Å; P67-R69 VanDerWaalsContact C-N 3.29Å; P67-R69 PolarHBondContact O-N 3.43Å; R69-E126 IonicContact CZ-OE1 2.69Å; R69-E126 IonicContact NH1-OE1 2.76Å; R69-E126 PolarHBondContact NH1-OE1 3.4Å; R69-E126 IonicContact NH2-OE1 2.73Å; R69-E126 PolarHBondContact NH2-OE1 2.85Å |
| 70 | I | 94.6 | Very high | 87.1 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.2 | 169.5 | -59.5 | 177.9 | 0 | 0 | 0 | 107.3 | R9 L10 F11 F60 P67 | R9-I70 HydrophobicContact CB-CG2 4.09Å; R9-I70 HydrophobicContact CG-CG2 4.41Å; L10-I70 WeakPolarHBondContact O-CA 3.42Å; F11-I70 HydrophobicContact CD1-CB 4.33Å; F11-I70 HydrophobicContact CD1-CD1 4.19Å; F11-I70 HydrophobicContact CD1-CG1 3.79Å; F11-I70 HydrophobicContact CD1-CG2 3.9Å; F11-I70 HydrophobicContact CE1-CB 4.43Å; F11-I70 HydrophobicContact CE1-CD1 3.81Å; F11-I70 HydrophobicContact CE1-CG1 3.9Å; F11-I70 HydrophobicContact CE1-CG2 3.74Å; F11-I70 HydrophobicContact CZ-CD1 4.35Å; F60-I70 HydrophobicContact CE1-CD1 4.02Å; F60-I70 HydrophobicContact CZ-CD1 4.19Å; P67-I70 HydrophobicContact CB-CD1 4.47Å; P67-I70 HydrophobicContact CB-CG1 3.84Å; P67-I70 HydrophobicContact CG-CD1 4.29Å; P67-I70 HydrophobicContact CG-CG1 4.11Å |
| 71 | I | 97.1 | Very high | 87.9 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.1 | -179.6 | -58.3 | -179.3 | 0 | 0 | 0 | 108.7 | R9 L10 I12 L73 P124 | R9-I71 CarbonylContact C-O 3.6Å; R9-I71 VanDerWaalsContact CA-O 3.27Å; R9-I71 WeakPolarHBondContact CA-O 3.37Å; L10-I71 HydrophobicContact CB-CB 4.33Å; L10-I71 PolarHBondContact N-O 3.48Å; L10-I71 PolarHBondContact O-N 3.43Å; I12-I71 HydrophobicContact CD1-CD1 3.48Å; I12-I71 VanDerWaalsContact CD1-CD1 3.48Å; I12-I71 HydrophobicContact CD1-CG1 3.93Å; I71-L73 PolarHBondContact O-N 2.85Å; I71-P124 HydrophobicContact CD1-CG 3.83Å |
| 72 | R | 97.7 | Very high | 88.9 | Confident | 167 Ų | 167 | 56.6 Ų | 56.6 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 118 | 169.8 | -177.6 | 178.9 | -178.3 | -176 | 0.8 | 108.7 | V7 V75 | V7-R72 HydrophobicContact CG1-CG 4.09Å; R72-V75 VanDerWaalsContact NH2-CG1 3.3Å |
| 73 | L | 97.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -27.3 | 177.6 | -69.2 | 170.6 | 0 | 0 | 0 | 112.1 | V8 L10 I40 I71 S115 T119 N121 I123 | V8-L73 HydrophobicContact CB-CB 4.43Å; V8-L73 HydrophobicContact CG1-CB 4.26Å; V8-L73 HydrophobicContact CG1-CD1 4.11Å; V8-L73 PolarHBondContact O-N 2.95Å; L10-L73 HydrophobicContact CB-CD1 3.75Å; L10-L73 HydrophobicContact CB-CD2 4.1Å; L10-L73 HydrophobicContact CB-CG 3.87Å; I40-L73 HydrophobicContact CD1-CD1 3.4Å; I40-L73 VanDerWaalsContact CD1-CD1 3.4Å; I71-L73 PolarHBondContact O-N 2.85Å; L73-S115 WeakPolarHBondContact CD1-OG 3.41Å; L73-T119 HydrophobicContact CB-CG2 4.49Å; L73-N121 PolarHBondContact O-ND2 3.36Å; L73-I123 HydrophobicContact CD2-CG2 4.41Å |
| 74 | G | 97.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 57 Ų | 57 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -151.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V8 | V8-G74 PolarHBondContact N-O 3.3Å; V8-G74 VanDerWaalsContact N-O 3.1Å; V8-G74 PolarHBondContact O-N 3.42Å |
| 75 | V | 97.8 | Very high | 93 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.2 | 167.1 | -62.5 | 0 | 0 | 0 | 0 | 108.3 | E5 H6 V7 R72 | E5-V75 HydrophobicContact CB-CB 4.38Å; H6-V75 CarbonylContact O-C 3.52Å; H6-V75 VanDerWaalsContact O-CA 3.26Å; H6-V75 WeakPolarHBondContact O-CA 3.37Å; V7-V75 HydrophobicContact CG2-CG1 4.33Å; R72-V75 VanDerWaalsContact NH2-CG1 3.3Å |
| 76 | T | 97.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.4 | 173.8 | -166.1 | 0 | 0 | 0 | 0 | 109.2 | H6 V8 V42 Y43 I78 L118 | H6-T76 HydrophobicContact CB-CG2 4.03Å; H6-T76 PolarHBondContact N-O 2.59Å; H6-T76 PolarHBondContact O-N 2.83Å; V8-T76 HydrophobicContact CG2-CG2 3.65Å; V42-T76 HydrophobicContact CG2-CG2 4.14Å; Y43-T76 HydrophobicContact CE1-CG2 4.42Å; Y43-T76 WeakPolarHBondContact OH-CG2 3.29Å; T76-I78 WeakPolarHBondContact OG1-CG1 3.39Å; T76-I78 PolarHBondContact OG1-N 2.96Å; T76-L118 WeakPolarHBondContact CB-O 3.48Å; T76-L118 HydrophobicContact CG2-CD2 4.24Å; T76-L118 PolarHBondContact OG1-O 3.38Å |
| 77 | E | 96.5 | Very high | 95.6 | Very high | 104 Ų | 104 | 58 Ų | 58 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | trans | -99.1 | 1.6 | 172 | -64.6 | 173.2 | 157.5 | 0 | 0 | 110.9 | E3 E5 P79 | E3-E77 HydrophobicContact CB-CB 4.27Å; E3-E77 HydrophobicContact CB-CG 4.49Å; E5-E77 HydrophobicContact CG-CG 4.2Å; E77-P79 VanDerWaalsContact O-CD 3.32Å; E77-P79 WeakPolarHBondContact O-CD 3.34Å | ||
| 78 | I | 97.2 | Very high | 96.2 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | trans | -67.9 | 123.5 | -179.8 | -60.6 | 177.5 | 0 | 0 | 0 | 108.6 | Y43 T76 L82 F83 F117 L118 | Y43-I78 PolarHBondContact OH-O 3.48Å; T76-I78 WeakPolarHBondContact OG1-CG1 3.39Å; T76-I78 PolarHBondContact OG1-N 2.96Å; I78-L82 HydrophobicContact CG2-CB 4.09Å; I78-F83 HydrophobicContact CG2-CB 4.33Å; I78-F117 HydrophobicContact CD1-CD1 4.07Å; I78-F117 HydrophobicContact CD1-CE1 3.59Å; I78-F117 HydrophobicContact CD1-CZ 3.85Å; I78-F117 HydrophobicContact CG2-CE1 4.29Å; I78-L118 HydrophobicContact CD1-CD2 4.25Å | ||
| 79 | P | 95.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 64.8 Ų | 64.8 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | trans | -60.3 | 145.6 | 173.4 | -24 | 34.2 | 0 | 0 | 0 | 111.9 | E77 E81 L82 F83 | E77-P79 VanDerWaalsContact O-CD 3.32Å; E77-P79 WeakPolarHBondContact O-CD 3.34Å; P79-E81 WeakPolarHBondContact CB-OE2 3.32Å; P79-E81 PolarHBondContact O-N 3.15Å; P79-E81 VanDerWaalsContact O-N 3.17Å; P79-L82 HydrophobicContact CG-CD1 4.36Å; P79-L82 PolarHBondContact O-N 3.26Å; P79-L82 VanDerWaalsContact O-N 3.12Å; P79-F83 PolarHBondContact O-N 2.87Å; P79-F83 VanDerWaalsContact O-N 3.09Å | ||
| 80 | Q | 96.7 | Very high | 97 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.5 | -36.7 | -178.5 | -177.4 | 173.7 | 14.7 | 0 | 0 | 112.4 | Y43 F83 H84 | Y43-Q80 HydrophobicContact CD1-CB 4.15Å; Y43-Q80 HydrophobicContact CD2-CB 4.03Å; Y43-Q80 HydrophobicContact CD2-CG 3.79Å; Y43-Q80 HydrophobicContact CE1-CB 4.37Å; Y43-Q80 HydrophobicContact CE2-CB 4.27Å; Y43-Q80 HydrophobicContact CE2-CG 4.33Å; Y43-Q80 HydrophobicContact CG-CB 4.01Å; Y43-Q80 HydrophobicContact CG-CG 4Å; Q80-F83 WeakPolarHBondContact O-CB 3.29Å; Q80-F83 PolarHBondContact O-N 3.2Å; Q80-H84 PolarHBondContact O-N 2.74Å |
| 81 | E | 95.3 | Very high | 97.1 | Very high | 132 Ų | 132 | 57.9 Ų | 57.9 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 179.8 | -56.6 | 80.1 | -175.4 | 0 | 0 | 111.6 | P79 F83 H84 D85 | P79-E81 WeakPolarHBondContact CB-OE2 3.32Å; P79-E81 PolarHBondContact O-N 3.15Å; P79-E81 VanDerWaalsContact O-N 3.17Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 3.22Å; E81-H84 PolarHBondContact O-N 2.95Å; E81-D85 PolarHBondContact O-N 2.88Å |
| 82 | L | 96.4 | Very high | 96.9 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.5 | -31.9 | 176.8 | -66.2 | -172 | 0 | 0 | 0 | 112 | I78 P79 Y86 | I78-L82 HydrophobicContact CG2-CB 4.09Å; P79-L82 HydrophobicContact CG-CD1 4.36Å; P79-L82 PolarHBondContact O-N 3.26Å; P79-L82 VanDerWaalsContact O-N 3.12Å; L82-Y86 PolarHBondContact O-N 3Å; L82-Y86 VanDerWaalsContact O-N 3.07Å |
| 83 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 173.3 | -180 | -126.4 | 0 | 0 | 0 | 111.6 | V42 Y43 Y47 I78 P79 Q80 E81 Y86 L87 V114 F117 L118 | V42-F83 HydrophobicContact CG1-CE1 4.14Å; Y43-F83 HydrophobicContact CD2-CD1 4.32Å; Y43-F83 HydrophobicContact CE2-CB 4.19Å; Y43-F83 AromaticContact CE2-CD1 3.64Å; Y43-F83 HydrophobicContact CE2-CD1 3.64Å; Y43-F83 HydrophobicContact CE2-CE1 4.39Å; Y43-F83 HydrophobicContact CE2-CG 4.19Å; Y47-F83 AromaticContact CD1-CE1 3.94Å; Y47-F83 HydrophobicContact CD1-CE1 3.94Å; Y47-F83 AromaticContact CD2-CE1 3.93Å; Y47-F83 HydrophobicContact CD2-CE1 3.93Å; Y47-F83 HydrophobicContact CE1-CD1 4.28Å; Y47-F83 AromaticContact CE1-CE1 3.78Å; Y47-F83 HydrophobicContact CE1-CE1 3.78Å; Y47-F83 HydrophobicContact CE2-CD1 4.42Å; Y47-F83 AromaticContact CE2-CE1 3.77Å; Y47-F83 HydrophobicContact CE2-CE1 3.77Å; Y47-F83 HydrophobicContact CG-CE1 4.02Å; Y47-F83 HydrophobicContact CG-CZ 4.49Å; Y47-F83 AromaticContact CZ-CE1 3.7Å; I78-F83 HydrophobicContact CG2-CB 4.33Å; P79-F83 PolarHBondContact O-N 2.87Å; P79-F83 VanDerWaalsContact O-N 3.09Å; Q80-F83 WeakPolarHBondContact O-CB 3.29Å; Q80-F83 PolarHBondContact O-N 3.2Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 3.22Å; F83-Y86 HydrophobicContact CD2-CD1 4.17Å; F83-Y86 HydrophobicContact CE2-CD1 4.16Å; F83-Y86 WeakPolarHBondContact O-CB 3.38Å; F83-Y86 PolarHBondContact O-N 3.05Å; F83-L87 HydrophobicContact CD1-CD1 4.11Å; F83-L87 HydrophobicContact CD2-CG 4.31Å; F83-L87 HydrophobicContact CE1-CD1 3.67Å; F83-L87 HydrophobicContact CE1-CG 4.18Å; F83-L87 HydrophobicContact CE2-CD1 4.31Å; F83-L87 HydrophobicContact CE2-CD2 3.84Å; F83-L87 HydrophobicContact CE2-CG 3.91Å; F83-L87 HydrophobicContact CZ-CD1 3.76Å; F83-L87 HydrophobicContact CZ-CD2 3.76Å; F83-L87 HydrophobicContact CZ-CG 3.85Å; F83-L87 WeakPolarHBondContact O-CG 3.49Å; F83-L87 PolarHBondContact O-N 3.36Å; F83-V114 HydrophobicContact CE2-CG1 3.71Å; F83-V114 HydrophobicContact CZ-CG1 3.51Å; F83-F117 HydrophobicContact CD2-CD1 4.06Å; F83-F117 AromaticContact CD2-CE1 3.95Å; F83-F117 HydrophobicContact CD2-CE1 3.95Å; F83-F117 HydrophobicContact CE2-CD1 4.35Å; F83-L118 HydrophobicContact CB-CD2 4.49Å; F83-L118 HydrophobicContact CD2-CD1 4.48Å; F83-L118 HydrophobicContact CD2-CD2 3.6Å; F83-L118 HydrophobicContact CD2-CG 4.21Å; F83-L118 HydrophobicContact CE1-CD1 4.42Å; F83-L118 HydrophobicContact CE2-CD1 4Å; F83-L118 HydrophobicContact CE2-CD2 3.91Å; F83-L118 HydrophobicContact CE2-CG 4Å; F83-L118 HydrophobicContact CG-CD2 3.99Å; F83-L118 HydrophobicContact CZ-CD1 3.95Å; F83-L118 HydrophobicContact CZ-CG 4.46Å |
| 84 | H | 98 | Very high | 96.5 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 174.3 | -71.5 | 178.7 | 0 | 0 | 0 | 112.1 | Y47 Q80 E81 Y86 L87 D88 | Y47-H84 AromaticContact CE1-CD2 3.96Å; Y47-H84 AromaticContact CE1-NE2 3.58Å; Y47-H84 AromaticContact CZ-NE2 3.69Å; Y47-H84 PolarHBondContact OH-NE2 3.1Å; Q80-H84 PolarHBondContact O-N 2.74Å; E81-H84 PolarHBondContact O-N 2.95Å; H84-Y86 VanDerWaalsContact C-N 3.26Å; H84-Y86 PolarHBondContact O-N 2.9Å; H84-L87 PolarHBondContact O-N 3.39Å; H84-L87 VanDerWaalsContact O-N 3.1Å; H84-D88 PolarHBondContact O-N 3.11Å |
| 85 | D | 97.4 | Very high | 96.4 | Very high | 102 Ų | 102 | 61.7 Ų | 61.7 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58 | -40 | 172.7 | -68.6 | -22.7 | 0 | 0 | 0 | 111.9 | E81 D88 M89 | E81-D85 PolarHBondContact O-N 2.88Å; D85-D88 PolarHBondContact O-N 3.28Å; D85-M89 PolarHBondContact O-N 3.19Å; D85-M89 VanDerWaalsContact O-N 3.12Å |
| 86 | Y | 97.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 65.2 Ų | 65.2 | 14% | 0.137 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.1 | 174.5 | -111.3 | 0 | 0 | 0 | 112.3 | L82 F83 H84 D88 M89 L90 F117 | L82-Y86 PolarHBondContact O-N 3Å; L82-Y86 VanDerWaalsContact O-N 3.07Å; F83-Y86 HydrophobicContact CD2-CD1 4.17Å; F83-Y86 HydrophobicContact CE2-CD1 4.16Å; F83-Y86 WeakPolarHBondContact O-CB 3.38Å; F83-Y86 PolarHBondContact O-N 3.05Å; H84-Y86 VanDerWaalsContact C-N 3.26Å; H84-Y86 PolarHBondContact O-N 2.9Å; Y86-D88 VanDerWaalsContact C-N 3.33Å; Y86-D88 PolarHBondContact O-N 2.73Å; Y86-M89 HydrophobicContact CD2-CE 3.9Å; Y86-M89 HydrophobicContact CE2-CE 4.38Å; Y86-M89 PolarHBondContact O-N 2.72Å; Y86-L90 HydrophobicContact CD1-CD1 4.09Å; Y86-L90 HydrophobicContact CD1-CG 4.42Å; Y86-L90 HydrophobicContact CD2-CG 4.47Å; Y86-L90 HydrophobicContact CE1-CD1 3.41Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.41Å; Y86-L90 HydrophobicContact CE1-CG 3.98Å; Y86-L90 HydrophobicContact CE2-CD1 4.3Å; Y86-L90 HydrophobicContact CE2-CD2 4.16Å; Y86-L90 HydrophobicContact CE2-CG 4Å; Y86-L90 WeakPolarHBondContact O-CG 3.33Å; Y86-L90 PolarHBondContact O-N 2.74Å; Y86-F117 HydrophobicContact CD1-CB 4.41Å; Y86-F117 AromaticContact CD1-CD1 3.47Å; Y86-F117 HydrophobicContact CD1-CD1 3.47Å; Y86-F117 VanDerWaalsContact CD1-CD1 3.47Å; Y86-F117 HydrophobicContact CD1-CD2 4.15Å; Y86-F117 AromaticContact CD1-CE1 3.64Å; Y86-F117 HydrophobicContact CD1-CE1 3.64Å; Y86-F117 HydrophobicContact CD1-CE2 4.29Å; Y86-F117 AromaticContact CD1-CG 3.74Å; Y86-F117 HydrophobicContact CD1-CG 3.74Å; Y86-F117 HydrophobicContact CD1-CZ 4.05Å; Y86-F117 HydrophobicContact CD2-CD2 4.1Å; Y86-F117 AromaticContact CD2-CE2 3.92Å; Y86-F117 HydrophobicContact CD2-CE2 3.92Å; Y86-F117 HydrophobicContact CD2-CZ 4.17Å; Y86-F117 HydrophobicContact CE1-CB 3.66Å; Y86-F117 AromaticContact CE1-CD1 3.61Å; Y86-F117 HydrophobicContact CE1-CD1 3.61Å; Y86-F117 AromaticContact CE1-CD2 3.93Å; Y86-F117 HydrophobicContact CE1-CD2 3.93Å; Y86-F117 HydrophobicContact CE1-CE1 4.23Å; Y86-F117 AromaticContact CE1-CG 3.43Å; Y86-F117 HydrophobicContact CE1-CG 3.43Å; Y86-F117 VanDerWaalsContact CE1-CG 3.43Å; Y86-F117 AromaticContact CE2-CD2 3.91Å; Y86-F117 HydrophobicContact CE2-CD2 3.91Å; Y86-F117 HydrophobicContact CE2-CE2 4.17Å; Y86-F117 HydrophobicContact CE2-CG 4.28Å; Y86-F117 HydrophobicContact CG-CD1 4.07Å; Y86-F117 HydrophobicContact CG-CD2 4.21Å; Y86-F117 AromaticContact CG-CE1 3.83Å; Y86-F117 HydrophobicContact CG-CE1 3.83Å; Y86-F117 AromaticContact CG-CE2 3.98Å; Y86-F117 HydrophobicContact CG-CE2 3.98Å; Y86-F117 HydrophobicContact CG-CG 4.25Å; Y86-F117 AromaticContact CG-CZ 3.77Å; Y86-F117 HydrophobicContact CG-CZ 3.77Å; Y86-F117 AromaticContact CZ-CD2 3.8Å; Y86-F117 AromaticContact CZ-CG 3.73Å |
| 87 | L | 97.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 176 | -69.9 | 179.9 | 0 | 0 | 0 | 112 | Y47 I54 F83 H84 L90 G91 F110 V114 | Y47-L87 HydrophobicContact CD1-CD1 3.35Å; Y47-L87 HydrophobicContact CE1-CD1 3.53Å; Y47-L87 HydrophobicContact CG-CD1 4.36Å; I54-L87 HydrophobicContact CD1-CD2 4.32Å; I54-L87 WeakPolarHBondContact CD1-O 3.16Å; I54-L87 HydrophobicContact CG2-CD1 4.47Å; I54-L87 HydrophobicContact CG2-CD2 4.34Å; F83-L87 HydrophobicContact CD1-CD1 4.11Å; F83-L87 HydrophobicContact CD2-CG 4.31Å; F83-L87 HydrophobicContact CE1-CD1 3.67Å; F83-L87 HydrophobicContact CE1-CG 4.18Å; F83-L87 HydrophobicContact CE2-CD1 4.31Å; F83-L87 HydrophobicContact CE2-CD2 3.84Å; F83-L87 HydrophobicContact CE2-CG 3.91Å; F83-L87 HydrophobicContact CZ-CD1 3.76Å; F83-L87 HydrophobicContact CZ-CD2 3.76Å; F83-L87 HydrophobicContact CZ-CG 3.85Å; F83-L87 WeakPolarHBondContact O-CG 3.49Å; F83-L87 PolarHBondContact O-N 3.36Å; H84-L87 PolarHBondContact O-N 3.39Å; H84-L87 VanDerWaalsContact O-N 3.1Å; L87-L90 PolarHBondContact O-N 3.48Å; L87-G91 PolarHBondContact O-N 2.68Å; L87-F110 HydrophobicContact CD2-CE2 3.98Å; L87-F110 HydrophobicContact CD2-CZ 3.94Å; L87-V114 HydrophobicContact CD2-CG2 4.04Å |
| 88 | D | 96.6 | Very high | 95.3 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 175.1 | -74.1 | -17.4 | 0 | 0 | 0 | 110.5 | H84 D85 Y86 L90 G91 E92 | H84-D88 PolarHBondContact O-N 3.11Å; D85-D88 PolarHBondContact O-N 3.28Å; Y86-D88 VanDerWaalsContact C-N 3.33Å; Y86-D88 PolarHBondContact O-N 2.73Å; D88-L90 VanDerWaalsContact C-N 3.33Å; D88-L90 PolarHBondContact O-N 3.31Å; D88-G91 PolarHBondContact O-N 3Å; D88-E92 WeakPolarHBondContact O-CB 3.09Å; D88-E92 WeakPolarHBondContact O-CG 3.36Å; D88-E92 PolarHBondContact O-N 2.8Å |
| 89 | M | 97 | Very high | 94.9 | Very high | 98 Ų | 98 | 68.3 Ų | 68.3 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 175.1 | -176.1 | -123 | -62.8 | 0 | 0 | 112.5 | D85 Y86 E92 N93 | D85-M89 PolarHBondContact O-N 3.19Å; D85-M89 VanDerWaalsContact O-N 3.12Å; Y86-M89 HydrophobicContact CD2-CE 3.9Å; Y86-M89 HydrophobicContact CE2-CE 4.38Å; Y86-M89 PolarHBondContact O-N 2.72Å; M89-E92 PolarHBondContact O-N 3.08Å; M89-N93 WeakPolarHBondContact O-CB 3.44Å; M89-N93 PolarHBondContact O-N 3.22Å; M89-N93 PolarHBondContact O-ND2 3.16Å |
| 90 | L | 97.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 174.5 | -79.5 | -169.4 | 0 | 0 | 0 | 111.7 | I54 Y86 L87 D88 E92 N93 K94 F95 F110 V114 | I54-L90 HydrophobicContact CD1-CB 3.86Å; Y86-L90 HydrophobicContact CD1-CD1 4.09Å; Y86-L90 HydrophobicContact CD1-CG 4.42Å; Y86-L90 HydrophobicContact CD2-CG 4.47Å; Y86-L90 HydrophobicContact CE1-CD1 3.41Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.41Å; Y86-L90 HydrophobicContact CE1-CG 3.98Å; Y86-L90 HydrophobicContact CE2-CD1 4.3Å; Y86-L90 HydrophobicContact CE2-CD2 4.16Å; Y86-L90 HydrophobicContact CE2-CG 4Å; Y86-L90 WeakPolarHBondContact O-CG 3.33Å; Y86-L90 PolarHBondContact O-N 2.74Å; L87-L90 PolarHBondContact O-N 3.48Å; D88-L90 VanDerWaalsContact C-N 3.33Å; D88-L90 PolarHBondContact O-N 3.31Å; L90-E92 PolarHBondContact O-N 3.3Å; L90-N93 PolarHBondContact O-N 3.31Å; L90-K94 HydrophobicContact CD2-CB 4.45Å; L90-K94 PolarHBondContact O-N 3.36Å; L90-F95 HydrophobicContact CB-CD2 4.06Å; L90-F95 HydrophobicContact CD1-CD2 4.07Å; L90-F95 HydrophobicContact CD1-CE2 4.22Å; L90-F95 HydrophobicContact CD2-CD2 4.07Å; L90-F95 HydrophobicContact CD2-CE2 4.16Å; L90-F95 HydrophobicContact CG-CD2 4.31Å; L90-F95 PolarHBondContact O-N 2.78Å; L90-F110 HydrophobicContact CD1-CE2 4.49Å; L90-V114 HydrophobicContact CD1-CG2 4.33Å |
| 91 | G | 95.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 67.8 Ų | 67.8 | 25% | 0.247 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -31.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L87 D88 R96 | L87-G91 PolarHBondContact O-N 2.68Å; D88-G91 PolarHBondContact O-N 3Å; G91-R96 WeakPolarHBondContact O-CG 3.33Å |
| 92 | E | 93.3 | Very high | 93.6 | Very high | 123 Ų | 123 | 61.9 Ų | 61.9 | 58% | 0.575 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -78.1 | -31.1 | 174.5 | -77.3 | -174.3 | 176.9 | 0 | 0 | 113.8 | D88 M89 L90 R96 | D88-E92 WeakPolarHBondContact O-CB 3.09Å; D88-E92 WeakPolarHBondContact O-CG 3.36Å; D88-E92 PolarHBondContact O-N 2.8Å; M89-E92 PolarHBondContact O-N 3.08Å; L90-E92 PolarHBondContact O-N 3.3Å; E92-R96 PolarHBondContact O-NE 3.17Å; E92-R96 PolarHBondContact O-NH2 3.46Å |
| 93 | N | 91.2 | Very high | 93.2 | Very high | 106 Ų | 106 | 58.2 Ų | 58.2 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -117.2 | -30.9 | -167.8 | -65.4 | -64.7 | 0 | 0 | 0 | 114.8 | M89 L90 | M89-N93 WeakPolarHBondContact O-CB 3.44Å; M89-N93 PolarHBondContact O-N 3.22Å; M89-N93 PolarHBondContact O-ND2 3.16Å; L90-N93 PolarHBondContact O-N 3.31Å |
| 94 | K | 95.7 | Very high | 92.7 | Very high | 94 Ų | 94 | 65.5 Ų | 65.5 | 41% | 0.409 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -38.8 | -166.2 | -166.1 | 173.6 | -177.3 | -179.4 | 0 | 114.1 | L90 H105 E113 | L90-K94 HydrophobicContact CD2-CB 4.45Å; L90-K94 PolarHBondContact O-N 3.36Å; K94-H105 PolarHBondContact O-NE2 3.08Å; K94-E113 WeakPolarHBondContact CD-OE1 3.47Å; K94-E113 WeakPolarHBondContact CE-OE2 3.42Å; K94-E113 IonicContact NZ-OE1 2.82Å; K94-E113 PolarHBondContact NZ-OE1 2.79Å; K94-E113 IonicContact NZ-OE2 3.4Å; K94-E113 PolarHBondContact NZ-OE2 3.46Å |
| 95 | F | 95.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | trans | -115.4 | 47.4 | -176.6 | -65.3 | -78.6 | 0 | 0 | 0 | 111.4 | Y49 I54 L90 H105 F110 E113 | Y49-F95 AromaticContact CD1-CD1 3.67Å; Y49-F95 HydrophobicContact CD1-CD1 3.67Å; Y49-F95 HydrophobicContact CD1-CE1 4.35Å; Y49-F95 HydrophobicContact CD2-CB 3.89Å; Y49-F95 HydrophobicContact CD2-CD1 4.37Å; Y49-F95 AromaticContact CE1-CD1 3.59Å; Y49-F95 HydrophobicContact CE1-CD1 3.59Å; Y49-F95 HydrophobicContact CE1-CE1 4.35Å; Y49-F95 VanDerWaalsContact CE2-C 3.45Å; Y49-F95 HydrophobicContact CE2-CB 3.78Å; Y49-F95 HydrophobicContact CE2-CD1 4.32Å; Y49-F95 WeakPolarHBondContact CE2-O 3.45Å; Y49-F95 HydrophobicContact CG-CB 4.35Å; Y49-F95 HydrophobicContact CG-CD1 4.06Å; Y49-F95 AromaticContact CZ-CD1 3.92Å; I54-F95 HydrophobicContact CD1-CB 3.94Å; I54-F95 HydrophobicContact CG1-CB 3.95Å; L90-F95 HydrophobicContact CB-CD2 4.06Å; L90-F95 HydrophobicContact CD1-CD2 4.07Å; L90-F95 HydrophobicContact CD1-CE2 4.22Å; L90-F95 HydrophobicContact CD2-CD2 4.07Å; L90-F95 HydrophobicContact CD2-CE2 4.16Å; L90-F95 HydrophobicContact CG-CD2 4.31Å; L90-F95 PolarHBondContact O-N 2.78Å; F95-H105 AromaticContact CD1-CE1 3.62Å; F95-H105 AromaticContact CD1-NE2 3.55Å; F95-H105 AromaticContact CE1-CE1 3.32Å; F95-H105 WeakPolarHBondContact CE1-CE1 3.48Å; F95-H105 AromaticContact CE1-NE2 3.76Å; F95-H105 AromaticContact CZ-CE1 3.97Å; F95-F110 HydrophobicContact CB-CD2 4.34Å; F95-F110 HydrophobicContact CD1-CB 3.73Å; F95-F110 AromaticContact CD1-CD2 3.98Å; F95-F110 HydrophobicContact CD1-CD2 3.98Å; F95-F110 HydrophobicContact CD1-CG 4.32Å; F95-F110 HydrophobicContact CD2-CD2 4.01Å; F95-F110 HydrophobicContact CE1-CB 3.53Å; F95-F110 HydrophobicContact CE1-CD2 4.27Å; F95-F110 HydrophobicContact CE1-CG 4.42Å; F95-F110 HydrophobicContact CE2-CD2 4.27Å; F95-F110 HydrophobicContact CG-CB 4.45Å; F95-F110 AromaticContact CG-CD2 3.84Å; F95-F110 HydrophobicContact CG-CD2 3.84Å; F95-F110 HydrophobicContact CZ-CB 4.11Å; F95-F110 HydrophobicContact CZ-CD2 4.4Å; F95-E113 HydrophobicContact CE2-CB 4.2Å; F95-E113 HydrophobicContact CE2-CG 4.18Å; F95-E113 VanDerWaalsContact CE2-OE2 3.29Å; F95-E113 WeakPolarHBondContact CE2-OE2 3.46Å; F95-E113 HydrophobicContact CZ-CB 4.14Å; F95-E113 WeakPolarHBondContact CZ-OE2 3.31Å | ||
| 96 | R | 92.9 | Very high | 92.2 | Very high | 124 Ų | 124 | 60.8 Ų | 60.8 | 47% | 0.468 | 29% | 0.288 | S | S | . | . | trans | -70.6 | 140.6 | 167.1 | -70.6 | 178.3 | -179.5 | 175.1 | 4.2 | 109.5 | Y49 G91 E92 Q98 L99 | Y49-R96 PolarHBondContact OH-O 3.22Å; G91-R96 WeakPolarHBondContact O-CG 3.33Å; E92-R96 PolarHBondContact O-NE 3.17Å; E92-R96 PolarHBondContact O-NH2 3.46Å; R96-Q98 PolarHBondContact O-N 3.49Å; R96-Q98 VanDerWaalsContact O-N 3.1Å; R96-L99 HydrophobicContact CB-CD1 4.07Å; R96-L99 HydrophobicContact CB-CG 4.05Å; R96-L99 HydrophobicContact CG-CD1 4.48Å; R96-L99 WeakPolarHBondContact O-CA 3.34Å; R96-L99 WeakPolarHBondContact O-CB 3.23Å; R96-L99 PolarHBondContact O-N 3.25Å | ||
| 97 | G | 87.5 | Confident | 92 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -55.1 | -33.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S51 L99 Y100 | S51-G97 CarbonylContact O-C 3.56Å; S51-G97 VanDerWaalsContact O-C 3.31Å; S51-G97 WeakPolarHBondContact O-CA 3.41Å; G97-L99 PolarHBondContact O-N 3.47Å; G97-Y100 WeakPolarHBondContact O-CB 3.27Å; G97-Y100 PolarHBondContact O-N 3.29Å; G97-Y100 VanDerWaalsContact O-N 3.11Å |
| 98 | Q | 87.5 | Confident | 91.9 | Very high | 128 Ų | 128 | 59 Ų | 59 | 60% | 0.598 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -69.5 | -17.6 | 177 | -57.6 | 81.1 | 11.3 | 0 | 0 | 113.8 | R96 | R96-Q98 PolarHBondContact O-N 3.49Å; R96-Q98 VanDerWaalsContact O-N 3.1Å |
| 99 | L | 89.8 | Confident | 91.9 | Very high | 80 Ų | 80 | 56 Ų | 56 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -91 | -5.6 | 175.6 | -60.3 | 177.6 | 0 | 0 | 0 | 111.8 | R96 G97 Q101 H105 | R96-L99 HydrophobicContact CB-CD1 4.07Å; R96-L99 HydrophobicContact CB-CG 4.05Å; R96-L99 HydrophobicContact CG-CD1 4.48Å; R96-L99 WeakPolarHBondContact O-CA 3.34Å; R96-L99 WeakPolarHBondContact O-CB 3.23Å; R96-L99 PolarHBondContact O-N 3.25Å; G97-L99 PolarHBondContact O-N 3.47Å; L99-Q101 PolarHBondContact O-N 3.02Å; L99-H105 PolarHBondContact O-CD2 2.71Å; L99-H105 VanDerWaalsContact O-CD2 3.31Å |
| 100 | Y | 87.8 | Confident | 91.9 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -60.4 | 122.4 | 180 | -174.2 | -89 | 0 | 0 | 0 | 110.6 | Y49 G50 G97 L102 N106 | Y49-Y100 AromaticContact CD1-CD2 3.93Å; Y49-Y100 HydrophobicContact CD1-CD2 3.93Å; Y49-Y100 HydrophobicContact CD1-CE2 4.3Å; Y49-Y100 AromaticContact CE1-CD2 3.56Å; Y49-Y100 HydrophobicContact CE1-CD2 3.56Å; Y49-Y100 HydrophobicContact CE1-CE2 4.29Å; Y49-Y100 HydrophobicContact CE1-CG 4.46Å; Y49-Y100 HydrophobicContact CE2-CD2 4.45Å; Y49-Y100 AromaticContact CZ-CD2 3.87Å; Y49-Y100 VanDerWaalsContact O-CE2 3.23Å; Y49-Y100 WeakPolarHBondContact O-CE2 3.23Å; Y49-Y100 VanDerWaalsContact OH-CA 3.32Å; Y49-Y100 WeakPolarHBondContact OH-CA 3.4Å; Y49-Y100 PolarHBondContact OH-N 3.18Å; Y49-Y100 VanDerWaalsContact OH-N 3.16Å; G50-Y100 VanDerWaalsContact C-CD2 3.4Å; G97-Y100 WeakPolarHBondContact O-CB 3.27Å; G97-Y100 PolarHBondContact O-N 3.29Å; G97-Y100 VanDerWaalsContact O-N 3.11Å; Y100-L102 HydrophobicContact CE1-CB 4.32Å; Y100-L102 HydrophobicContact CE1-CD1 4.12Å; Y100-L102 WeakPolarHBondContact OH-CD1 3.49Å; Y100-N106 HydrophobicContact CE2-CB 3.94Å | ||
| 101 | Q | 87.3 | Confident | 91.9 | Very high | 102 Ų | 102 | 51 Ų | 51 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -128.3 | 113.8 | 175.7 | -66.8 | 177.7 | 0.7 | 0 | 0 | 108.1 | L99 L103 R104 H105 | L99-Q101 PolarHBondContact O-N 3.02Å; Q101-L103 PolarHBondContact O-N 3.14Å; Q101-R104 PolarHBondContact O-N 2.82Å; Q101-R104 VanDerWaalsContact O-N 3.15Å; Q101-H105 HydrophobicContact CB-CB 4.07Å; Q101-H105 PolarHBondContact N-O 3.19Å; Q101-H105 CarbonylContact O-C 3.19Å; Q101-H105 PolarHBondContact O-N 3.34Å; Q101-H105 VanDerWaalsContact O-O 3.13Å |
| 102 | L | 86.3 | Confident | 92.1 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -39.3 | -171.1 | -174.1 | 66.4 | 0 | 0 | 0 | 113.9 | Y100 N106 I147 T151 I814 W815 I818 | Y100-L102 HydrophobicContact CE1-CB 4.32Å; Y100-L102 HydrophobicContact CE1-CD1 4.12Å; Y100-L102 WeakPolarHBondContact OH-CD1 3.49Å; L102-N106 PolarHBondContact O-ND2 3.31Å; L102-I147 HydrophobicContact CD2-CG2 3.94Å; L102-T151 HydrophobicContact CB-CG2 4.06Å; L102-I814 HydrophobicContact CD2-CG2 4.36Å; L102-W815 HydrophobicContact CD1-CZ2 3.72Å; L102-W815 HydrophobicContact CD2-CH2 3.97Å; L102-W815 HydrophobicContact CD2-CZ2 3.97Å; L102-W815 HydrophobicContact CD2-CZ3 4.29Å; L102-W815 HydrophobicContact CG-CH2 4.34Å; L102-W815 HydrophobicContact CG-CZ2 4Å; L102-I818 HydrophobicContact CD2-CD1 3.06Å |
| 103 | L | 87.5 | Confident | 92.3 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -20 | -175.2 | -61.9 | 177.2 | 0 | 0 | 0 | 114.5 | Q101 T131 F134 V144 I147 | Q101-L103 PolarHBondContact O-N 3.14Å; L103-T131 HydrophobicContact CD2-CG2 4.37Å; L103-T131 WeakPolarHBondContact O-CB 3.29Å; L103-T131 PolarHBondContact O-OG1 3.24Å; L103-F134 HydrophobicContact CD2-CD1 4.39Å; L103-V144 HydrophobicContact CD1-CB 4.19Å; L103-V144 HydrophobicContact CD1-CG1 3.92Å; L103-V144 HydrophobicContact CD1-CG2 3.86Å; L103-I147 HydrophobicContact CD1-CB 4.33Å; L103-I147 HydrophobicContact CD1-CG2 4Å; L103-I147 HydrophobicContact CD2-CG2 4.49Å; L103-I147 HydrophobicContact CG-CG2 4.12Å |
| 104 | R | 87.9 | Confident | 92.7 | Very high | 153 Ų | 153 | 42.1 Ų | 42.1 | 58% | 0.577 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130 | -22.4 | -169.2 | -64 | -169.4 | -176.9 | 117.6 | 6.2 | 115.4 | Q101 E148 | Q101-R104 PolarHBondContact O-N 2.82Å; Q101-R104 VanDerWaalsContact O-N 3.15Å; R104-E148 IonicContact CZ-OE1 3.11Å; R104-E148 VanDerWaalsContact CZ-OE1 3.23Å; R104-E148 IonicContact NH1-OE1 3.7Å; R104-E148 PolarHBondContact NH1-OE1 2.79Å; R104-E148 IonicContact NH2-OE1 3.28Å; R104-E148 PolarHBondContact NH2-OE1 3.06Å |
| 105 | H | 91.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -148.4 | 78.7 | -177.5 | -166.6 | 65 | 0 | 0 | 0 | 110 | Y49 K94 F95 L99 Q101 | Y49-H105 PolarHBondContact OH-CD2 3.1Å; K94-H105 PolarHBondContact O-NE2 3.08Å; F95-H105 AromaticContact CD1-CE1 3.62Å; F95-H105 AromaticContact CD1-NE2 3.55Å; F95-H105 AromaticContact CE1-CE1 3.32Å; F95-H105 WeakPolarHBondContact CE1-CE1 3.48Å; F95-H105 AromaticContact CE1-NE2 3.76Å; F95-H105 AromaticContact CZ-CE1 3.97Å; L99-H105 PolarHBondContact O-CD2 2.71Å; L99-H105 VanDerWaalsContact O-CD2 3.31Å; Q101-H105 HydrophobicContact CB-CB 4.07Å; Q101-H105 PolarHBondContact N-O 3.19Å; Q101-H105 CarbonylContact O-C 3.19Å; Q101-H105 PolarHBondContact O-N 3.34Å; Q101-H105 VanDerWaalsContact O-O 3.13Å |
| 106 | N | 91.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -129.2 | -171.6 | -167.6 | 63.4 | 28.2 | 0 | 0 | 0 | 111.9 | Y100 L102 N108 T109 F110 | Y100-N106 HydrophobicContact CE2-CB 3.94Å; L102-N106 PolarHBondContact O-ND2 3.31Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 WeakPolarHBondContact OD1-CB 3.46Å; N106-N108 PolarHBondContact OD1-N 2.94Å; N106-T109 PolarHBondContact N-OG1 2.77Å; N106-T109 PolarHBondContact O-N 2.81Å; N106-T109 PolarHBondContact O-OG1 3.31Å; N106-T109 PolarHBondContact OD1-N 3.19Å; N106-F110 PolarHBondContact O-N 3.06Å; N106-F110 VanDerWaalsContact O-N 3.14Å |
| 107 | C | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -48.3 | -42.2 | 175.6 | -91.2 | 0 | 0 | 0 | 0 | 114 | H37 Y49 T109 F110 T111 | H37-C107 PolarHBondContact CE1-SG 3.16Å; H37-C107 PolarHBondContact NE2-SG 2.71Å; Y49-C107 VanDerWaalsContact C-SG 3.51Å; Y49-C107 PolarHBondContact N-SG 3.2Å; Y49-C107 PolarHBondContact O-SG 3.33Å; C107-T109 PolarHBondContact O-N 3.22Å; C107-F110 WeakPolarHBondContact O-CB 3.34Å; C107-F110 PolarHBondContact O-N 3.04Å; C107-T111 WeakPolarHBondContact O-CG2 3.23Å; C107-T111 PolarHBondContact O-N 3.15Å; C107-T111 PolarHBondContact O-OG1 3.47Å |
| 108 | N | 95.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.7 | -36.4 | -175.2 | -55 | -35.9 | 0 | 0 | 0 | 112 | W36 T38 N106 F110 T111 N112 I123 I127 L128 F130 | W36-N108 PolarHBondContact O-ND2 2.93Å; T38-N108 WeakPolarHBondContact CB-OD1 3.41Å; T38-N108 WeakPolarHBondContact CG2-OD1 3.46Å; T38-N108 PolarHBondContact N-OD1 2.72Å; T38-N108 WeakPolarHBondContact OG1-CA 3.39Å; T38-N108 PolarHBondContact OG1-OD1 3.07Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 WeakPolarHBondContact OD1-CB 3.46Å; N106-N108 PolarHBondContact OD1-N 2.94Å; N108-F110 VanDerWaalsContact C-N 3.34Å; N108-T111 WeakPolarHBondContact CA-OG1 3.23Å; N108-T111 PolarHBondContact O-OG1 2.82Å; N108-T111 VanDerWaalsContact O-OG1 3.14Å; N108-N112 VanDerWaalsContact O-CB 3.29Å; N108-N112 WeakPolarHBondContact O-CB 3.39Å; N108-N112 PolarHBondContact O-N 3.14Å; N108-N112 VanDerWaalsContact O-N 3.08Å; N108-I123 HydrophobicContact CB-CD1 4.44Å; N108-I123 WeakPolarHBondContact O-CD1 3.46Å; N108-I127 HydrophobicContact CB-CG2 4.2Å; N108-L128 HydrophobicContact CB-CD2 4.24Å; N108-L128 WeakPolarHBondContact O-CD2 3.28Å; N108-F130 WeakPolarHBondContact ND2-CE1 3.36Å |
| 109 | T | 95.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 26% | 0.258 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 172.6 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | N106 C107 E113 | N106-T109 PolarHBondContact N-OG1 2.77Å; N106-T109 PolarHBondContact O-N 2.81Å; N106-T109 PolarHBondContact O-OG1 3.31Å; N106-T109 PolarHBondContact OD1-N 3.19Å; C107-T109 PolarHBondContact O-N 3.22Å; T109-E113 PolarHBondContact O-N 2.9Å |
| 110 | F | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -51.8 | 175.4 | 166.2 | -103.9 | 0 | 0 | 0 | 112.4 | Y49 I54 L87 L90 F95 N106 C107 N108 N112 E113 V114 | Y49-F110 VanDerWaalsContact CB-CD1 3.49Å; Y49-F110 HydrophobicContact CD1-CB 3.8Å; Y49-F110 HydrophobicContact CD1-CG 4.47Å; Y49-F110 HydrophobicContact CG-CB 3.95Å; Y49-F110 HydrophobicContact CG-CD2 4.5Å; Y49-F110 HydrophobicContact CG-CG 4.13Å; I54-F110 HydrophobicContact CD1-CD2 4.31Å; I54-F110 HydrophobicContact CD1-CE2 3.6Å; I54-F110 HydrophobicContact CD1-CZ 4.33Å; I54-F110 HydrophobicContact CG1-CD2 4.22Å; I54-F110 HydrophobicContact CG1-CE2 3.65Å; I54-F110 HydrophobicContact CG1-CZ 4.13Å; I54-F110 HydrophobicContact CG2-CE2 4.22Å; I54-F110 HydrophobicContact CG2-CZ 3.88Å; L87-F110 HydrophobicContact CD2-CE2 3.98Å; L87-F110 HydrophobicContact CD2-CZ 3.94Å; L90-F110 HydrophobicContact CD1-CE2 4.49Å; F95-F110 HydrophobicContact CB-CD2 4.34Å; F95-F110 HydrophobicContact CD1-CB 3.73Å; F95-F110 AromaticContact CD1-CD2 3.98Å; F95-F110 HydrophobicContact CD1-CD2 3.98Å; F95-F110 HydrophobicContact CD1-CG 4.32Å; F95-F110 HydrophobicContact CD2-CD2 4.01Å; F95-F110 HydrophobicContact CE1-CB 3.53Å; F95-F110 HydrophobicContact CE1-CD2 4.27Å; F95-F110 HydrophobicContact CE1-CG 4.42Å; F95-F110 HydrophobicContact CE2-CD2 4.27Å; F95-F110 HydrophobicContact CG-CB 4.45Å; F95-F110 AromaticContact CG-CD2 3.84Å; F95-F110 HydrophobicContact CG-CD2 3.84Å; F95-F110 HydrophobicContact CZ-CB 4.11Å; F95-F110 HydrophobicContact CZ-CD2 4.4Å; N106-F110 PolarHBondContact O-N 3.06Å; N106-F110 VanDerWaalsContact O-N 3.14Å; C107-F110 WeakPolarHBondContact O-CB 3.34Å; C107-F110 PolarHBondContact O-N 3.04Å; N108-F110 VanDerWaalsContact C-N 3.34Å; F110-N112 PolarHBondContact O-N 3.36Å; F110-E113 WeakPolarHBondContact O-CB 3.28Å; F110-E113 PolarHBondContact O-N 3.36Å; F110-V114 HydrophobicContact CD2-CG2 3.98Å; F110-V114 HydrophobicContact CE1-CG2 4.16Å; F110-V114 HydrophobicContact CE2-CG2 3.46Å; F110-V114 VanDerWaalsContact CE2-CG2 3.46Å; F110-V114 HydrophobicContact CZ-CG2 3.58Å; F110-V114 PolarHBondContact O-N 2.9Å |
| 111 | T | 98 | Very high | 95 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -33.2 | -179.4 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | T38 I40 C107 N108 S115 | T38-T111 WeakPolarHBondContact O-CG2 3.22Å; T38-T111 WeakPolarHBondContact OG1-CG2 3.48Å; T38-T111 PolarHBondContact OG1-OG1 3.21Å; I40-T111 HydrophobicContact CG1-CG2 4.03Å; C107-T111 WeakPolarHBondContact O-CG2 3.23Å; C107-T111 PolarHBondContact O-N 3.15Å; C107-T111 PolarHBondContact O-OG1 3.47Å; N108-T111 WeakPolarHBondContact CA-OG1 3.23Å; N108-T111 PolarHBondContact O-OG1 2.82Å; N108-T111 VanDerWaalsContact O-OG1 3.14Å; T111-S115 WeakPolarHBondContact O-CB 3.5Å; T111-S115 PolarHBondContact O-N 3.12Å |
| 112 | N | 98.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 172.9 | -170.9 | 47.4 | 0 | 0 | 0 | 113.1 | N108 F110 Q116 K122 I123 L128 | N108-N112 VanDerWaalsContact O-CB 3.29Å; N108-N112 WeakPolarHBondContact O-CB 3.39Å; N108-N112 PolarHBondContact O-N 3.14Å; N108-N112 VanDerWaalsContact O-N 3.08Å; F110-N112 PolarHBondContact O-N 3.36Å; N112-Q116 PolarHBondContact ND2-NE2 3.17Å; N112-Q116 WeakPolarHBondContact O-CG 3.42Å; N112-Q116 PolarHBondContact O-N 2.9Å; N112-Q116 PolarHBondContact O-NE2 3.11Å; N112-K122 WeakPolarHBondContact OD1-CA 3.26Å; N112-K122 WeakPolarHBondContact OD1-CB 3.28Å; N112-I123 HydrophobicContact CB-CD1 3.96Å; N112-I123 HydrophobicContact CB-CG1 3.86Å; N112-I123 PolarHBondContact OD1-N 2.65Å; N112-I123 VanDerWaalsContact OD1-N 3.15Å; N112-L128 HydrophobicContact CB-CD1 4.32Å; N112-L128 HydrophobicContact CB-CD2 3.99Å |
| 113 | E | 98.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.8 | -47.8 | 176.6 | -174 | 147.7 | 175.5 | 0 | 0 | 111.7 | K94 F95 T109 F110 S115 Q116 F117 | K94-E113 WeakPolarHBondContact CD-OE1 3.47Å; K94-E113 WeakPolarHBondContact CE-OE2 3.42Å; K94-E113 IonicContact NZ-OE1 2.82Å; K94-E113 PolarHBondContact NZ-OE1 2.79Å; K94-E113 IonicContact NZ-OE2 3.4Å; K94-E113 PolarHBondContact NZ-OE2 3.46Å; F95-E113 HydrophobicContact CE2-CB 4.2Å; F95-E113 HydrophobicContact CE2-CG 4.18Å; F95-E113 VanDerWaalsContact CE2-OE2 3.29Å; F95-E113 WeakPolarHBondContact CE2-OE2 3.46Å; F95-E113 HydrophobicContact CZ-CB 4.14Å; F95-E113 WeakPolarHBondContact CZ-OE2 3.31Å; T109-E113 PolarHBondContact O-N 2.9Å; F110-E113 WeakPolarHBondContact O-CB 3.28Å; F110-E113 PolarHBondContact O-N 3.36Å; E113-S115 PolarHBondContact O-N 3.3Å; E113-Q116 PolarHBondContact O-N 2.89Å; E113-F117 PolarHBondContact O-N 3.34Å |
| 114 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.8 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | I40 F83 L87 L90 F110 Q116 F117 L118 | I40-V114 HydrophobicContact CB-CG1 4.14Å; I40-V114 HydrophobicContact CG1-CB 4.22Å; I40-V114 HydrophobicContact CG1-CG1 3.81Å; I40-V114 HydrophobicContact CG2-CG1 4.02Å; F83-V114 HydrophobicContact CE2-CG1 3.71Å; F83-V114 HydrophobicContact CZ-CG1 3.51Å; L87-V114 HydrophobicContact CD2-CG2 4.04Å; L90-V114 HydrophobicContact CD1-CG2 4.33Å; F110-V114 HydrophobicContact CD2-CG2 3.98Å; F110-V114 HydrophobicContact CE1-CG2 4.16Å; F110-V114 HydrophobicContact CE2-CG2 3.46Å; F110-V114 VanDerWaalsContact CE2-CG2 3.46Å; F110-V114 HydrophobicContact CZ-CG2 3.58Å; F110-V114 PolarHBondContact O-N 2.9Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 2.76Å; V114-F117 PolarHBondContact O-N 2.81Å; V114-L118 HydrophobicContact CG1-CD1 3.77Å; V114-L118 HydrophobicContact CG1-CG 4.3Å; V114-L118 WeakPolarHBondContact O-CB 3.3Å; V114-L118 WeakPolarHBondContact O-CG 3.43Å; V114-L118 PolarHBondContact O-N 3.22Å |
| 115 | S | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | L73 T111 E113 L118 T119 N121 | L73-S115 WeakPolarHBondContact CD1-OG 3.41Å; T111-S115 WeakPolarHBondContact O-CB 3.5Å; T111-S115 PolarHBondContact O-N 3.12Å; E113-S115 PolarHBondContact O-N 3.3Å; S115-L118 PolarHBondContact O-N 3.34Å; S115-T119 PolarHBondContact O-N 3.01Å; S115-T119 PolarHBondContact O-OG1 3.37Å; S115-N121 CarbonylContact C-O 3.55Å; S115-N121 WeakPolarHBondContact CB-O 3.47Å; S115-N121 PolarHBondContact OG-O 2.97Å |
| 116 | Q | 98.4 | Very high | 96.7 | Very high | 76 Ų | 76 | 38.6 Ų | 38.6 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67 | -39.9 | 178.3 | -76.3 | 171.7 | 100.1 | 0 | 0 | 111.9 | N112 E113 V114 G120 N121 K122 | N112-Q116 PolarHBondContact ND2-NE2 3.17Å; N112-Q116 WeakPolarHBondContact O-CG 3.42Å; N112-Q116 PolarHBondContact O-N 2.9Å; N112-Q116 PolarHBondContact O-NE2 3.11Å; E113-Q116 PolarHBondContact O-N 2.89Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 2.76Å; Q116-G120 WeakPolarHBondContact O-CA 3.47Å; Q116-G120 PolarHBondContact O-N 3.37Å; Q116-N121 WeakPolarHBondContact CA-O 3.29Å; Q116-N121 PolarHBondContact N-O 3.31Å; Q116-K122 HydrophobicContact CG-CG 3.79Å |
| 117 | F | 98.3 | Very high | 96.7 | Very high | 77 Ų | 77 | 38.1 Ų | 38.1 | 34% | 0.338 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 175.3 | 175 | -101.2 | 0 | 0 | 0 | 112 | I78 F83 Y86 E113 V114 | I78-F117 HydrophobicContact CD1-CD1 4.07Å; I78-F117 HydrophobicContact CD1-CE1 3.59Å; I78-F117 HydrophobicContact CD1-CZ 3.85Å; I78-F117 HydrophobicContact CG2-CE1 4.29Å; F83-F117 HydrophobicContact CD2-CD1 4.06Å; F83-F117 AromaticContact CD2-CE1 3.95Å; F83-F117 HydrophobicContact CD2-CE1 3.95Å; F83-F117 HydrophobicContact CE2-CD1 4.35Å; Y86-F117 HydrophobicContact CD1-CB 4.41Å; Y86-F117 AromaticContact CD1-CD1 3.47Å; Y86-F117 HydrophobicContact CD1-CD1 3.47Å; Y86-F117 VanDerWaalsContact CD1-CD1 3.47Å; Y86-F117 HydrophobicContact CD1-CD2 4.15Å; Y86-F117 AromaticContact CD1-CE1 3.64Å; Y86-F117 HydrophobicContact CD1-CE1 3.64Å; Y86-F117 HydrophobicContact CD1-CE2 4.29Å; Y86-F117 AromaticContact CD1-CG 3.74Å; Y86-F117 HydrophobicContact CD1-CG 3.74Å; Y86-F117 HydrophobicContact CD1-CZ 4.05Å; Y86-F117 HydrophobicContact CD2-CD2 4.1Å; Y86-F117 AromaticContact CD2-CE2 3.92Å; Y86-F117 HydrophobicContact CD2-CE2 3.92Å; Y86-F117 HydrophobicContact CD2-CZ 4.17Å; Y86-F117 HydrophobicContact CE1-CB 3.66Å; Y86-F117 AromaticContact CE1-CD1 3.61Å; Y86-F117 HydrophobicContact CE1-CD1 3.61Å; Y86-F117 AromaticContact CE1-CD2 3.93Å; Y86-F117 HydrophobicContact CE1-CD2 3.93Å; Y86-F117 HydrophobicContact CE1-CE1 4.23Å; Y86-F117 AromaticContact CE1-CG 3.43Å; Y86-F117 HydrophobicContact CE1-CG 3.43Å; Y86-F117 VanDerWaalsContact CE1-CG 3.43Å; Y86-F117 AromaticContact CE2-CD2 3.91Å; Y86-F117 HydrophobicContact CE2-CD2 3.91Å; Y86-F117 HydrophobicContact CE2-CE2 4.17Å; Y86-F117 HydrophobicContact CE2-CG 4.28Å; Y86-F117 HydrophobicContact CG-CD1 4.07Å; Y86-F117 HydrophobicContact CG-CD2 4.21Å; Y86-F117 AromaticContact CG-CE1 3.83Å; Y86-F117 HydrophobicContact CG-CE1 3.83Å; Y86-F117 AromaticContact CG-CE2 3.98Å; Y86-F117 HydrophobicContact CG-CE2 3.98Å; Y86-F117 HydrophobicContact CG-CG 4.25Å; Y86-F117 AromaticContact CG-CZ 3.77Å; Y86-F117 HydrophobicContact CG-CZ 3.77Å; Y86-F117 AromaticContact CZ-CD2 3.8Å; Y86-F117 AromaticContact CZ-CG 3.73Å; E113-F117 PolarHBondContact O-N 3.34Å; V114-F117 PolarHBondContact O-N 2.81Å |
| 118 | L | 98.5 | Very high | 96.5 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.5 | -35.9 | -174.6 | -69.9 | 175.6 | 0 | 0 | 0 | 113.5 | V8 I40 V42 T76 I78 F83 V114 S115 | V8-L118 HydrophobicContact CG1-CD1 4.04Å; V8-L118 HydrophobicContact CG2-CB 4.18Å; V8-L118 HydrophobicContact CG2-CD1 4.28Å; I40-L118 HydrophobicContact CG2-CD1 4.06Å; V42-L118 HydrophobicContact CG1-CD1 4.07Å; T76-L118 WeakPolarHBondContact CB-O 3.48Å; T76-L118 HydrophobicContact CG2-CD2 4.24Å; T76-L118 PolarHBondContact OG1-O 3.38Å; I78-L118 HydrophobicContact CD1-CD2 4.25Å; F83-L118 HydrophobicContact CB-CD2 4.49Å; F83-L118 HydrophobicContact CD2-CD1 4.48Å; F83-L118 HydrophobicContact CD2-CD2 3.6Å; F83-L118 HydrophobicContact CD2-CG 4.21Å; F83-L118 HydrophobicContact CE1-CD1 4.42Å; F83-L118 HydrophobicContact CE2-CD1 4Å; F83-L118 HydrophobicContact CE2-CD2 3.91Å; F83-L118 HydrophobicContact CE2-CG 4Å; F83-L118 HydrophobicContact CG-CD2 3.99Å; F83-L118 HydrophobicContact CZ-CD1 3.95Å; F83-L118 HydrophobicContact CZ-CG 4.46Å; V114-L118 HydrophobicContact CG1-CD1 3.77Å; V114-L118 HydrophobicContact CG1-CG 4.3Å; V114-L118 WeakPolarHBondContact O-CB 3.3Å; V114-L118 WeakPolarHBondContact O-CG 3.43Å; V114-L118 PolarHBondContact O-N 3.22Å; S115-L118 PolarHBondContact O-N 3.34Å |
| 119 | T | 97.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -131.6 | -7.2 | -167.6 | 67 | 0 | 0 | 0 | 0 | 114.9 | V8 L73 S115 N121 | V8-T119 HydrophobicContact CB-CG2 3.68Å; V8-T119 HydrophobicContact CG1-CG2 4.1Å; V8-T119 HydrophobicContact CG2-CG2 3.61Å; L73-T119 HydrophobicContact CB-CG2 4.49Å; S115-T119 PolarHBondContact O-N 3.01Å; S115-T119 PolarHBondContact O-OG1 3.37Å; T119-N121 PolarHBondContact O-N 3.15Å; T119-N121 WeakPolarHBondContact OG1-CB 3.37Å; T119-N121 PolarHBondContact OG1-N 3.22Å |
| 120 | G | 97.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 43 Ų | 43 | 61% | 0.608 | 22% | 0.219 | S | C | * | . | S | Bend | trans | 72.4 | -4.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q116 | Q116-G120 WeakPolarHBondContact O-CA 3.47Å; Q116-G120 PolarHBondContact O-N 3.37Å |
| 121 | N | 97.9 | Very high | 95 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 43% | 0.428 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -97.6 | 141.8 | -176.6 | -61.6 | -45.8 | 0 | 0 | 0 | 111.6 | L73 S115 Q116 T119 | L73-N121 PolarHBondContact O-ND2 3.36Å; S115-N121 CarbonylContact C-O 3.55Å; S115-N121 WeakPolarHBondContact CB-O 3.47Å; S115-N121 PolarHBondContact OG-O 2.97Å; Q116-N121 WeakPolarHBondContact CA-O 3.29Å; Q116-N121 PolarHBondContact N-O 3.31Å; T119-N121 PolarHBondContact O-N 3.15Å; T119-N121 WeakPolarHBondContact OG1-CB 3.37Å; T119-N121 PolarHBondContact OG1-N 3.22Å |
| 122 | K | 97.3 | Very high | 94.4 | Very high | 129 Ų | 129 | 48.3 Ų | 48.3 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -81.7 | 157.5 | 169.5 | -70 | -176.3 | 176.8 | -174.6 | 0 | 110.9 | N112 Q116 | N112-K122 WeakPolarHBondContact OD1-CA 3.26Å; N112-K122 WeakPolarHBondContact OD1-CB 3.28Å; Q116-K122 HydrophobicContact CG-CG 3.79Å |
| 123 | I | 97.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 162.1 | 167.2 | 71.5 | 175.4 | 0 | 0 | 0 | 110.1 | L10 L73 N108 N112 E125 I127 L128 | L10-I123 HydrophobicContact CD1-CB 4.47Å; L10-I123 HydrophobicContact CD1-CG2 3.71Å; L10-I123 HydrophobicContact CD2-CB 3.78Å; L10-I123 HydrophobicContact CD2-CG2 3.81Å; L10-I123 HydrophobicContact CG-CG2 4.35Å; L73-I123 HydrophobicContact CD2-CG2 4.41Å; N108-I123 HydrophobicContact CB-CD1 4.44Å; N108-I123 WeakPolarHBondContact O-CD1 3.46Å; N112-I123 HydrophobicContact CB-CD1 3.96Å; N112-I123 HydrophobicContact CB-CG1 3.86Å; N112-I123 PolarHBondContact OD1-N 2.65Å; N112-I123 VanDerWaalsContact OD1-N 3.15Å; I123-E125 PolarHBondContact O-N 3.08Å; I123-I127 HydrophobicContact CD1-CG2 4.16Å; I123-L128 HydrophobicContact CD1-CD2 3.85Å; I123-L128 HydrophobicContact CD1-CG 3.99Å; I123-L128 HydrophobicContact CG1-CD1 3.99Å; I123-L128 HydrophobicContact CG1-CD2 4.18Å; I123-L128 HydrophobicContact CG1-CG 3.89Å |
| 124 | P | 96.2 | Very high | 93 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 132.3 | 177.8 | -27.9 | 35.7 | 0 | 0 | 0 | 113.5 | I71 E126 I127 | I71-P124 HydrophobicContact CD1-CG 3.83Å; P124-E126 HydrophobicContact CB-CG 4.05Å; P124-E126 PolarHBondContact O-N 3.29Å; P124-I127 HydrophobicContact CB-CD1 4.15Å; P124-I127 HydrophobicContact CB-CG1 4.43Å; P124-I127 HydrophobicContact CG-CD1 4.17Å; P124-I127 WeakPolarHBondContact O-CB 3.16Å; P124-I127 PolarHBondContact O-N 2.72Å; P124-I127 VanDerWaalsContact O-N 3.08Å |
| 125 | E | 93.8 | Very high | 92.4 | Very high | 104 Ų | 104 | 49.7 Ų | 49.7 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -31.5 | -175.6 | -167.7 | 64 | -150.7 | 0 | 0 | 112.8 | I123 I127 L128 R129 | I123-E125 PolarHBondContact O-N 3.08Å; E125-I127 PolarHBondContact O-N 3.39Å; E125-L128 PolarHBondContact O-N 2.94Å; E125-L128 VanDerWaalsContact O-N 3.08Å; E125-R129 HydrophobicContact CG-CG 3.95Å; E125-R129 WeakPolarHBondContact O-CB 3.47Å; E125-R129 WeakPolarHBondContact O-CG 3.45Å; E125-R129 PolarHBondContact O-N 2.91Å; E125-R129 WeakPolarHBondContact OE1-CG 3.35Å |
| 126 | E | 90.1 | Very high | 91.7 | Very high | 87 Ų | 87 | 55.5 Ų | 55.5 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.7 | -30.5 | 175.5 | 67.4 | -163.2 | -161 | 0 | 0 | 113.3 | R69 P124 F130 | R69-E126 IonicContact CZ-OE1 2.69Å; R69-E126 IonicContact NH1-OE1 2.76Å; R69-E126 PolarHBondContact NH1-OE1 3.4Å; R69-E126 IonicContact NH2-OE1 2.73Å; R69-E126 PolarHBondContact NH2-OE1 2.85Å; P124-E126 HydrophobicContact CB-CG 4.05Å; P124-E126 PolarHBondContact O-N 3.29Å; E126-F130 PolarHBondContact O-N 3.24Å |
| 127 | I | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.9 | -29.8 | 178.2 | -62.7 | 171.5 | 0 | 0 | 0 | 111.4 | L10 I12 W36 T38 N108 I123 P124 E125 F130 | L10-I127 HydrophobicContact CD2-CD1 4.13Å; I12-I127 HydrophobicContact CB-CD1 4.49Å; I12-I127 HydrophobicContact CD1-CD1 3.42Å; I12-I127 VanDerWaalsContact CD1-CD1 3.42Å; I12-I127 HydrophobicContact CG1-CD1 3.71Å; I12-I127 HydrophobicContact CG2-CD1 3.94Å; W36-I127 HydrophobicContact CB-CG2 3.95Å; W36-I127 HydrophobicContact CG-CG1 4.32Å; T38-I127 HydrophobicContact CG2-CD1 4.3Å; T38-I127 HydrophobicContact CG2-CG2 3.65Å; N108-I127 HydrophobicContact CB-CG2 4.2Å; I123-I127 HydrophobicContact CD1-CG2 4.16Å; P124-I127 HydrophobicContact CB-CD1 4.15Å; P124-I127 HydrophobicContact CB-CG1 4.43Å; P124-I127 HydrophobicContact CG-CD1 4.17Å; P124-I127 WeakPolarHBondContact O-CB 3.16Å; P124-I127 PolarHBondContact O-N 2.72Å; P124-I127 VanDerWaalsContact O-N 3.08Å; E125-I127 PolarHBondContact O-N 3.39Å; I127-F130 WeakPolarHBondContact O-CD1 3.25Å |
| 128 | L | 90.8 | Very high | 90 | Very high | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.9 | -42.3 | 177 | -70.1 | 170.7 | 0 | 0 | 0 | 111.1 | N108 N112 I123 E125 | N108-L128 HydrophobicContact CB-CD2 4.24Å; N108-L128 WeakPolarHBondContact O-CD2 3.28Å; N112-L128 HydrophobicContact CB-CD1 4.32Å; N112-L128 HydrophobicContact CB-CD2 3.99Å; I123-L128 HydrophobicContact CD1-CD2 3.85Å; I123-L128 HydrophobicContact CD1-CG 3.99Å; I123-L128 HydrophobicContact CG1-CD1 3.99Å; I123-L128 HydrophobicContact CG1-CD2 4.18Å; I123-L128 HydrophobicContact CG1-CG 3.89Å; E125-L128 PolarHBondContact O-N 2.94Å; E125-L128 VanDerWaalsContact O-N 3.08Å |
| 129 | R | 87.1 | Confident | 89.1 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -80.9 | -16.5 | -172 | -69 | -176.1 | 65.4 | -89.1 | -11.1 | 115.2 | E125 T131 E132 D133 | E125-R129 HydrophobicContact CG-CG 3.95Å; E125-R129 WeakPolarHBondContact O-CB 3.47Å; E125-R129 WeakPolarHBondContact O-CG 3.45Å; E125-R129 PolarHBondContact O-N 2.91Å; E125-R129 WeakPolarHBondContact OE1-CG 3.35Å; R129-T131 PolarHBondContact O-N 3.09Å; R129-T131 VanDerWaalsContact O-N 3.1Å; R129-E132 WeakPolarHBondContact O-CA 3.2Å; R129-E132 WeakPolarHBondContact O-CB 3.5Å; R129-E132 PolarHBondContact O-N 3.3Å; R129-D133 IonicContact CZ-OD1 2.7Å; R129-D133 VanDerWaalsContact CZ-OD1 3.31Å; R129-D133 IonicContact CZ-OD2 3.12Å; R129-D133 IonicContact NH1-OD1 3.82Å; R129-D133 PolarHBondContact NH1-OD1 3.08Å; R129-D133 IonicContact NH1-OD2 3.68Å; R129-D133 PolarHBondContact NH1-OD2 3.14Å; R129-D133 VanDerWaalsContact NH1-OD2 3.11Å; R129-D133 IonicContact NH2-OD1 3.23Å; R129-D133 PolarHBondContact NH2-OD1 2.71Å; R129-D133 IonicContact NH2-OD2 2.68Å; R129-D133 PolarHBondContact O-N 3.24Å |
| 130 | F | 83.6 | Confident | 88.3 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.3 | -31.8 | -172.9 | 88.9 | -90.6 | 0 | 0 | 0 | 113.6 | V35 W36 N108 E126 I127 F134 | V35-F130 HydrophobicContact CG1-CE2 4.29Å; W36-F130 HydrophobicContact CB-CD1 3.93Å; W36-F130 HydrophobicContact CB-CE1 3.75Å; W36-F130 HydrophobicContact CB-CZ 4.45Å; W36-F130 AromaticContact CD1-CD1 3.73Å; W36-F130 AromaticContact CD1-CG 3.98Å; W36-F130 HydrophobicContact CG-CD1 4.23Å; W36-F130 HydrophobicContact CG-CE1 4.49Å; W36-F130 VanDerWaalsContact O-CE1 3.29Å; W36-F130 WeakPolarHBondContact O-CE1 3.38Å; W36-F130 WeakPolarHBondContact O-CZ 3.38Å; N108-F130 WeakPolarHBondContact ND2-CE1 3.36Å; E126-F130 PolarHBondContact O-N 3.24Å; I127-F130 WeakPolarHBondContact O-CD1 3.25Å; F130-F134 WeakPolarHBondContact O-CB 3.45Å; F130-F134 PolarHBondContact O-N 3.42Å |
| 131 | T | 86.5 | Confident | 87.6 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -36.3 | 176.8 | 51.7 | 0 | 0 | 0 | 0 | 112 | L103 R129 A135 | L103-T131 HydrophobicContact CD2-CG2 4.37Å; L103-T131 WeakPolarHBondContact O-CB 3.29Å; L103-T131 PolarHBondContact O-OG1 3.24Å; R129-T131 PolarHBondContact O-N 3.09Å; R129-T131 VanDerWaalsContact O-N 3.1Å; T131-A135 WeakPolarHBondContact O-CB 3.5Å; T131-A135 PolarHBondContact O-N 2.96Å |
| 132 | E | 85.6 | Confident | 86.8 | Confident | 92 Ų | 92 | 60.2 Ų | 60.2 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 174 | -173.8 | 63.7 | -156.3 | 0 | 0 | 110.9 | R129 F134 A135 Q136 | R129-E132 WeakPolarHBondContact O-CA 3.2Å; R129-E132 WeakPolarHBondContact O-CB 3.5Å; R129-E132 PolarHBondContact O-N 3.3Å; E132-F134 VanDerWaalsContact C-N 3.26Å; E132-F134 PolarHBondContact O-N 2.95Å; E132-A135 PolarHBondContact O-N 2.78Å; E132-A135 VanDerWaalsContact O-N 3.09Å; E132-Q136 HydrophobicContact CG-CG 4.37Å; E132-Q136 WeakPolarHBondContact O-CB 3.43Å; E132-Q136 VanDerWaalsContact O-CG 3.3Å; E132-Q136 WeakPolarHBondContact O-CG 3.42Å; E132-Q136 PolarHBondContact O-N 3.1Å; E132-Q136 PolarHBondContact OE1-NE2 3.37Å |
| 133 | D | 82.8 | Confident | 86.1 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 175.9 | -66.9 | -27.3 | 0 | 0 | 0 | 111 | R129 | R129-D133 IonicContact CZ-OD1 2.7Å; R129-D133 VanDerWaalsContact CZ-OD1 3.31Å; R129-D133 IonicContact CZ-OD2 3.12Å; R129-D133 IonicContact NH1-OD1 3.82Å; R129-D133 PolarHBondContact NH1-OD1 3.08Å; R129-D133 IonicContact NH1-OD2 3.68Å; R129-D133 PolarHBondContact NH1-OD2 3.14Å; R129-D133 VanDerWaalsContact NH1-OD2 3.11Å; R129-D133 IonicContact NH2-OD1 3.23Å; R129-D133 PolarHBondContact NH2-OD1 2.71Å; R129-D133 IonicContact NH2-OD2 2.68Å; R129-D133 PolarHBondContact O-N 3.24Å |
| 134 | F | 84 | Confident | 85.5 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 10% | 0.096 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -51.9 | 169.2 | 168.9 | -99.7 | 0 | 0 | 0 | 111.6 | I28 L32 L103 F130 E132 Q136 S137 G140 L143 V144 I147 | I28-F134 HydrophobicContact CD1-CD2 3.66Å; I28-F134 HydrophobicContact CD1-CE2 4.05Å; I28-F134 HydrophobicContact CG2-CE2 4.45Å; L32-F134 HydrophobicContact CD1-CD2 4.5Å; L103-F134 HydrophobicContact CD2-CD1 4.39Å; F130-F134 WeakPolarHBondContact O-CB 3.45Å; F130-F134 PolarHBondContact O-N 3.42Å; E132-F134 VanDerWaalsContact C-N 3.26Å; E132-F134 PolarHBondContact O-N 2.95Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 2.88Å; F134-S137 VanDerWaalsContact O-CB 3.24Å; F134-S137 WeakPolarHBondContact O-CB 3.5Å; F134-S137 PolarHBondContact O-N 3.3Å; F134-S137 PolarHBondContact O-OG 3.17Å; F134-G140 VanDerWaalsContact O-CA 3.25Å; F134-G140 WeakPolarHBondContact O-CA 3.41Å; F134-L143 HydrophobicContact CE2-CD1 4.19Å; F134-L143 HydrophobicContact CZ-CB 3.83Å; F134-L143 HydrophobicContact CZ-CD1 3.99Å; F134-V144 HydrophobicContact CD1-CG2 4.29Å; F134-V144 HydrophobicContact CE1-CG2 3.93Å; F134-I147 HydrophobicContact CE1-CD1 3.68Å; F134-I147 HydrophobicContact CZ-CD1 3.74Å |
| 135 | A | 85.9 | Confident | 84.8 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -37.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T131 E132 S137 G140 E141 V144 | T131-A135 WeakPolarHBondContact O-CB 3.5Å; T131-A135 PolarHBondContact O-N 2.96Å; E132-A135 PolarHBondContact O-N 2.78Å; E132-A135 VanDerWaalsContact O-N 3.09Å; A135-S137 PolarHBondContact O-N 3.01Å; A135-G140 CarbonylContact O-C 3.59Å; A135-E141 PolarHBondContact O-N 3.15Å; A135-V144 HydrophobicContact CB-CG2 3.79Å |
| 136 | Q | 85.3 | Confident | 84.2 | Confident | 121 Ų | 121 | 53 Ų | 53 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7.3 | 177.2 | -67.7 | 179.7 | 2.7 | 0 | 0 | 113.5 | E132 F134 | E132-Q136 HydrophobicContact CG-CG 4.37Å; E132-Q136 WeakPolarHBondContact O-CB 3.43Å; E132-Q136 VanDerWaalsContact O-CG 3.3Å; E132-Q136 WeakPolarHBondContact O-CG 3.42Å; E132-Q136 PolarHBondContact O-N 3.1Å; E132-Q136 PolarHBondContact OE1-NE2 3.37Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 2.88Å |
| 137 | S | 81.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -73.7 | 151.1 | 175.4 | 75.8 | 0 | 0 | 0 | 0 | 111.2 | V30 F134 A135 M139 G140 E141 | V30-S137 VanDerWaalsContact CG1-CB 3.41Å; F134-S137 VanDerWaalsContact O-CB 3.24Å; F134-S137 WeakPolarHBondContact O-CB 3.5Å; F134-S137 PolarHBondContact O-N 3.3Å; F134-S137 PolarHBondContact O-OG 3.17Å; A135-S137 PolarHBondContact O-N 3.01Å; S137-M139 PolarHBondContact O-N 3.34Å; S137-M139 VanDerWaalsContact O-N 3.13Å; S137-G140 WeakPolarHBondContact O-CA 3.36Å; S137-G140 PolarHBondContact O-N 3.04Å; S137-G140 WeakPolarHBondContact OG-CA 3.45Å; S137-G140 PolarHBondContact OG-N 2.86Å; S137-E141 PolarHBondContact O-N 2.85Å |
| 138 | P | 78.3 | Confident | 83.4 | Confident | 100 Ų | 100 | 52.1 Ų | 52.1 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54.8 | -33.5 | 177 | -27.3 | 35.1 | 0 | 0 | 0 | 113.8 | ||
| 139 | M | 78.9 | Confident | 82.8 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 41% | 0.414 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -80.9 | -33.4 | 173.8 | -72.9 | -60.3 | 170.2 | 0 | 0 | 112.5 | I28 S137 E141 I142 L143 | I28-M139 HydrophobicContact CB-CB 3.94Å; I28-M139 HydrophobicContact CB-CG 4.48Å; I28-M139 HydrophobicContact CG2-CB 4.04Å; S137-M139 PolarHBondContact O-N 3.34Å; S137-M139 VanDerWaalsContact O-N 3.13Å; M139-E141 VanDerWaalsContact C-N 3.33Å; M139-E141 PolarHBondContact O-N 3.26Å; M139-I142 PolarHBondContact O-N 2.66Å; M139-I142 VanDerWaalsContact O-N 3.07Å; M139-I142 HydrophobicContact SD-CD1 4.1Å; M139-L143 HydrophobicContact CB-CD1 4.37Å; M139-L143 WeakPolarHBondContact O-CB 3.45Å; M139-L143 VanDerWaalsContact O-CG 3.26Å; M139-L143 WeakPolarHBondContact O-CG 3.44Å; M139-L143 PolarHBondContact O-N 3.49Å |
| 140 | G | 82.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.3 | -47.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F134 A135 S137 I142 L143 V144 | F134-G140 VanDerWaalsContact O-CA 3.25Å; F134-G140 WeakPolarHBondContact O-CA 3.41Å; A135-G140 CarbonylContact O-C 3.59Å; S137-G140 WeakPolarHBondContact O-CA 3.36Å; S137-G140 PolarHBondContact O-N 3.04Å; S137-G140 WeakPolarHBondContact OG-CA 3.45Å; S137-G140 PolarHBondContact OG-N 2.86Å; G140-I142 PolarHBondContact O-N 2.93Å; G140-I142 VanDerWaalsContact O-N 3.1Å; G140-L143 PolarHBondContact O-N 2.89Å; G140-V144 VanDerWaalsContact O-CB 3.27Å; G140-V144 WeakPolarHBondContact O-CB 3.47Å; G140-V144 WeakPolarHBondContact O-CG2 3.33Å; G140-V144 PolarHBondContact O-N 3.41Å |
| 141 | E | 81.2 | Confident | 81.8 | Confident | 138 Ų | 138 | 50.2 Ų | 50.2 | 65% | 0.645 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -53.5 | -33.9 | 175.6 | -73.7 | -71.4 | 149.8 | 0 | 0 | 112.8 | A135 S137 M139 P145 | A135-E141 PolarHBondContact O-N 3.15Å; S137-E141 PolarHBondContact O-N 2.85Å; M139-E141 VanDerWaalsContact C-N 3.33Å; M139-E141 PolarHBondContact O-N 3.26Å; E141-P145 WeakPolarHBondContact O-CD 3.17Å |
| 142 | I | 81.6 | Confident | 81.2 | Confident | 103 Ų | 103 | 52 Ų | 52 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -82.7 | -40 | 178 | -60.2 | 171 | 0 | 0 | 0 | 111.5 | M139 G140 | M139-I142 PolarHBondContact O-N 2.66Å; M139-I142 VanDerWaalsContact O-N 3.07Å; M139-I142 HydrophobicContact SD-CD1 4.1Å; G140-I142 PolarHBondContact O-N 2.93Å; G140-I142 VanDerWaalsContact O-N 3.1Å |
| 143 | L | 82.1 | Confident | 80.6 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -87 | -30.5 | -170.5 | -68.9 | 177 | 0 | 0 | 0 | 113.7 | I28 F134 M139 G140 L146 I147 L822 V825 V826 | I28-L143 HydrophobicContact CG2-CD1 4.31Å; F134-L143 HydrophobicContact CE2-CD1 4.19Å; F134-L143 HydrophobicContact CZ-CB 3.83Å; F134-L143 HydrophobicContact CZ-CD1 3.99Å; M139-L143 HydrophobicContact CB-CD1 4.37Å; M139-L143 WeakPolarHBondContact O-CB 3.45Å; M139-L143 VanDerWaalsContact O-CG 3.26Å; M139-L143 WeakPolarHBondContact O-CG 3.44Å; M139-L143 PolarHBondContact O-N 3.49Å; G140-L143 PolarHBondContact O-N 2.89Å; L143-L146 HydrophobicContact CD2-CD2 4.47Å; L143-L146 WeakPolarHBondContact O-CB 3.44Å; L143-L146 PolarHBondContact O-N 2.95Å; L143-I147 HydrophobicContact CB-CD1 4.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.38Å; L143-L822 HydrophobicContact CB-CD2 4.31Å; L143-L822 HydrophobicContact CD1-CD2 3.83Å; L143-L822 HydrophobicContact CD2-CD2 3.55Å; L143-L822 HydrophobicContact CG-CD2 4.09Å; L143-V825 HydrophobicContact CD2-CB 4.23Å; L143-V825 HydrophobicContact CD2-CG1 3.66Å; L143-V826 HydrophobicContact CD1-CG2 4.25Å |
| 144 | V | 85.7 | Confident | 79.9 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54 | -49.5 | -179.6 | 166.1 | 0 | 0 | 0 | 0 | 111.4 | L103 F134 A135 G140 L146 I147 E148 | L103-V144 HydrophobicContact CD1-CB 4.19Å; L103-V144 HydrophobicContact CD1-CG1 3.92Å; L103-V144 HydrophobicContact CD1-CG2 3.86Å; F134-V144 HydrophobicContact CD1-CG2 4.29Å; F134-V144 HydrophobicContact CE1-CG2 3.93Å; A135-V144 HydrophobicContact CB-CG2 3.79Å; G140-V144 VanDerWaalsContact O-CB 3.27Å; G140-V144 WeakPolarHBondContact O-CB 3.47Å; G140-V144 WeakPolarHBondContact O-CG2 3.33Å; G140-V144 PolarHBondContact O-N 3.41Å; V144-L146 VanDerWaalsContact C-N 3.29Å; V144-L146 PolarHBondContact O-N 2.89Å; V144-I147 PolarHBondContact O-N 3.09Å; V144-E148 HydrophobicContact CG1-CG 4.42Å; V144-E148 WeakPolarHBondContact O-CB 3.39Å; V144-E148 WeakPolarHBondContact O-CG 3.32Å; V144-E148 PolarHBondContact O-N 3.32Å |
| 145 | P | 81.9 | Confident | 79 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -35.4 | 177.3 | -23.3 | 34.1 | 0 | 0 | 0 | 113.6 | E141 T149 | E141-P145 WeakPolarHBondContact O-CD 3.17Å; P145-T149 WeakPolarHBondContact O-CB 3.43Å; P145-T149 PolarHBondContact O-N 3.48Å; P145-T149 VanDerWaalsContact O-N 3.09Å; P145-T149 PolarHBondContact O-OG1 3.37Å |
| 146 | L | 80.6 | Confident | 77.8 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.6 | -48.7 | 177.2 | 177.7 | 64.3 | 0 | 0 | 0 | 111 | L143 V144 E148 T149 I150 V825 | L143-L146 HydrophobicContact CD2-CD2 4.47Å; L143-L146 WeakPolarHBondContact O-CB 3.44Å; L143-L146 PolarHBondContact O-N 2.95Å; V144-L146 VanDerWaalsContact C-N 3.29Å; V144-L146 PolarHBondContact O-N 2.89Å; L146-E148 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 2.9Å; L146-T149 WeakPolarHBondContact O-CB 3.16Å; L146-T149 PolarHBondContact O-N 3.36Å; L146-T149 VanDerWaalsContact O-N 3.15Å; L146-I150 HydrophobicContact CD1-CD1 4.07Å; L146-I150 HydrophobicContact CD1-CG1 4.44Å; L146-I150 HydrophobicContact CG-CD1 3.96Å; L146-I150 WeakPolarHBondContact O-CG1 3.39Å; L146-I150 PolarHBondContact O-N 2.88Å; L146-V825 HydrophobicContact CD2-CG2 4Å |
| 147 | I | 81.1 | Confident | 76.3 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 178.8 | -69.1 | 166.5 | 0 | 0 | 0 | 110.7 | L102 L103 F134 L143 V144 T149 I150 T151 I818 L822 | L102-I147 HydrophobicContact CD2-CG2 3.94Å; L103-I147 HydrophobicContact CD1-CB 4.33Å; L103-I147 HydrophobicContact CD1-CG2 4Å; L103-I147 HydrophobicContact CD2-CG2 4.49Å; L103-I147 HydrophobicContact CG-CG2 4.12Å; F134-I147 HydrophobicContact CE1-CD1 3.68Å; F134-I147 HydrophobicContact CZ-CD1 3.74Å; L143-I147 HydrophobicContact CB-CD1 4.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.38Å; V144-I147 PolarHBondContact O-N 3.09Å; I147-T149 VanDerWaalsContact C-N 3.32Å; I147-T149 PolarHBondContact O-N 3.35Å; I147-I150 PolarHBondContact O-N 3.29Å; I147-T151 WeakPolarHBondContact O-CB 3.45Å; I147-T151 PolarHBondContact O-N 3.15Å; I147-T151 PolarHBondContact O-OG1 3.28Å; I147-I818 HydrophobicContact CG2-CD1 4.19Å; I147-L822 HydrophobicContact CD1-CD1 4.43Å; I147-L822 HydrophobicContact CD1-CD2 4.34Å; I147-L822 HydrophobicContact CG1-CD2 4.3Å |
| 148 | E | 83.5 | Confident | 74.7 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 176.9 | -73.2 | -178.2 | 165.2 | 0 | 0 | 111.8 | R104 V144 L146 S152 | R104-E148 IonicContact CZ-OE1 3.11Å; R104-E148 VanDerWaalsContact CZ-OE1 3.23Å; R104-E148 IonicContact NH1-OE1 3.7Å; R104-E148 PolarHBondContact NH1-OE1 2.79Å; R104-E148 IonicContact NH2-OE1 3.28Å; R104-E148 PolarHBondContact NH2-OE1 3.06Å; V144-E148 HydrophobicContact CG1-CG 4.42Å; V144-E148 WeakPolarHBondContact O-CB 3.39Å; V144-E148 WeakPolarHBondContact O-CG 3.32Å; V144-E148 PolarHBondContact O-N 3.32Å; L146-E148 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 2.9Å; E148-S152 VanDerWaalsContact O-CB 3.23Å; E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 3.08Å; E148-S152 PolarHBondContact O-OG 3.47Å |
| 149 | T | 78.8 | Confident | 72.8 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65 | -44 | 176.4 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | P145 L146 I147 K153 | P145-T149 WeakPolarHBondContact O-CB 3.43Å; P145-T149 PolarHBondContact O-N 3.48Å; P145-T149 VanDerWaalsContact O-N 3.09Å; P145-T149 PolarHBondContact O-OG1 3.37Å; L146-T149 WeakPolarHBondContact O-CB 3.16Å; L146-T149 PolarHBondContact O-N 3.36Å; L146-T149 VanDerWaalsContact O-N 3.15Å; I147-T149 VanDerWaalsContact C-N 3.32Å; I147-T149 PolarHBondContact O-N 3.35Å; T149-K153 WeakPolarHBondContact O-CG 3.23Å; T149-K153 PolarHBondContact O-N 3.05Å |
| 150 | I | 74.8 | Confident | 70.8 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -49 | 178.2 | -66 | 165.1 | 0 | 0 | 0 | 110 | L146 I147 S152 K153 I154 I818 E821 | L146-I150 HydrophobicContact CD1-CD1 4.07Å; L146-I150 HydrophobicContact CD1-CG1 4.44Å; L146-I150 HydrophobicContact CG-CD1 3.96Å; L146-I150 WeakPolarHBondContact O-CG1 3.39Å; L146-I150 PolarHBondContact O-N 2.88Å; I147-I150 PolarHBondContact O-N 3.29Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 3.5Å; I150-K153 WeakPolarHBondContact O-CB 3.28Å; I150-K153 PolarHBondContact O-N 3.4Å; I150-I154 HydrophobicContact CG2-CD1 4.23Å; I150-I154 PolarHBondContact O-N 3.08Å; I150-I818 HydrophobicContact CG2-CG1 4.37Å; I150-E821 HydrophobicContact CD1-CB 3.71Å; I150-E821 HydrophobicContact CD1-CG 3.82Å |
| 151 | T | 74.8 | Confident | 68.4 | Low | 6 Ų | 6 | 78.1 Ų | 78.1 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | -176.9 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | L102 I147 K153 I154 V155 | L102-T151 HydrophobicContact CB-CG2 4.06Å; I147-T151 WeakPolarHBondContact O-CB 3.45Å; I147-T151 PolarHBondContact O-N 3.15Å; I147-T151 PolarHBondContact O-OG1 3.28Å; T151-K153 VanDerWaalsContact C-N 3.3Å; T151-K153 PolarHBondContact O-N 3.04Å; T151-I154 PolarHBondContact O-N 2.7Å; T151-I154 VanDerWaalsContact O-N 3.11Å; T151-V155 HydrophobicContact CG2-CG2 4.3Å; T151-V155 WeakPolarHBondContact O-CG2 3.39Å; T151-V155 PolarHBondContact O-N 3.06Å |
| 152 | S | 74.7 | Confident | 65.9 | Low | 55 Ų | 55 | 76.8 Ų | 76.8 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | E148 I150 I154 V155 Y156 | E148-S152 VanDerWaalsContact O-CB 3.23Å; E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 3.08Å; E148-S152 PolarHBondContact O-OG 3.47Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 3.5Å; S152-I154 VanDerWaalsContact C-N 3.29Å; S152-I154 PolarHBondContact O-N 3.19Å; S152-V155 PolarHBondContact O-N 2.92Å; S152-Y156 WeakPolarHBondContact O-CB 3.32Å; S152-Y156 WeakPolarHBondContact O-CD2 3.31Å; S152-Y156 PolarHBondContact O-N 2.94Å |
| 153 | K | 72.3 | Confident | 63.2 | Low | 112 Ų | 112 | 79.1 Ų | 79.1 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 177 | -71.3 | 178.2 | -178.9 | -179.8 | 0 | 112.1 | T149 I150 T151 N157 | T149-K153 WeakPolarHBondContact O-CG 3.23Å; T149-K153 PolarHBondContact O-N 3.05Å; I150-K153 WeakPolarHBondContact O-CB 3.28Å; I150-K153 PolarHBondContact O-N 3.4Å; T151-K153 VanDerWaalsContact C-N 3.3Å; T151-K153 PolarHBondContact O-N 3.04Å; K153-N157 VanDerWaalsContact O-CB 3.23Å; K153-N157 WeakPolarHBondContact O-CB 3.24Å; K153-N157 PolarHBondContact O-N 3.46Å |
| 154 | I | 67.8 | Low | 60.5 | Low | 37 Ų | 37 | 83.4 Ų | 83.4 | 19% | 0.19 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | 179.4 | -60.4 | 170 | 0 | 0 | 0 | 111 | I150 T151 S152 I814 | I150-I154 HydrophobicContact CG2-CD1 4.23Å; I150-I154 PolarHBondContact O-N 3.08Å; T151-I154 PolarHBondContact O-N 2.7Å; T151-I154 VanDerWaalsContact O-N 3.11Å; S152-I154 VanDerWaalsContact C-N 3.29Å; S152-I154 PolarHBondContact O-N 3.19Å; I154-I814 HydrophobicContact CD1-CB 4.4Å; I154-I814 HydrophobicContact CD1-CG1 3.95Å; I154-I814 HydrophobicContact CD1-CG2 4.3Å; I154-I814 HydrophobicContact CG2-CD1 4.24Å; I154-I814 HydrophobicContact CG2-CG1 3.94Å |
| 155 | V | 66.1 | Low | 57.7 | Low | 16 Ų | 16 | 88 Ų | 88 | 10% | 0.097 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -71.3 | -40.3 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | T151 S152 | T151-V155 HydrophobicContact CG2-CG2 4.3Å; T151-V155 WeakPolarHBondContact O-CG2 3.39Å; T151-V155 PolarHBondContact O-N 3.06Å; S152-V155 PolarHBondContact O-N 2.92Å |
| 156 | Y | 60.2 | Low | 54.9 | Low | 173 Ų | 173 | 93.1 Ų | 93.1 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -87.7 | -25.2 | -174 | -73 | -67.6 | 0 | 0 | 0 | 115.5 | S152 R158 | S152-Y156 WeakPolarHBondContact O-CB 3.32Å; S152-Y156 WeakPolarHBondContact O-CD2 3.31Å; S152-Y156 PolarHBondContact O-N 2.94Å; Y156-R158 PolarHBondContact O-N 3.39Å |
| 157 | N | 52.8 | Low | 52.2 | Low | 132 Ų | 132 | 96 Ų | 96 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -76 | 19 | -177.1 | -84.2 | -10.4 | 0 | 0 | 0 | 115.1 | K153 | K153-N157 VanDerWaalsContact O-CB 3.23Å; K153-N157 WeakPolarHBondContact O-CB 3.24Å; K153-N157 PolarHBondContact O-N 3.46Å |
| 158 | R | 49.5 | Very low | 49.5 | Very low | 105 Ų | 105 | 99.1 Ų | 99.1 | 40% | 0.396 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -104.4 | 130.7 | -179.2 | -70.7 | -174.5 | 177.3 | -168.5 | -3.6 | 112.8 | H52 Y156 R160 N810 | H52-R158 PolarHBondContact CD2-NH1 3.01Å; H52-R158 PolarHBondContact CE1-NH1 3.09Å; H52-R158 VanDerWaalsContact CE1-NH1 3.31Å; H52-R158 PolarHBondContact NE2-NH1 3.41Å; Y156-R158 PolarHBondContact O-N 3.39Å; R158-R160 PolarHBondContact O-N 3.31Å; R158-N810 PolarHBondContact NH2-ND2 3.47Å; R158-N810 VanDerWaalsContact NH2-ND2 3.19Å |
| 159 | P | 38.1 | Very low | 46.6 | Very low | 123 Ų | 123 | 105.6 Ų | 105.6 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | trans | -61.5 | 130.6 | -178.3 | 22.4 | -30 | 0 | 0 | 0 | 110.4 | S161 | P159-S161 PolarHBondContact O-N 2.9Š| ||
| 160 | R | 35.5 | Very low | 44 | Very low | 239 Ų | 239 | 109.6 Ų | 109.6 | 90% | 0.902 | 62% | 0.615 | S | S | * | * | trans | -49.1 | 124.3 | 166.3 | -103.6 | 177.1 | 167.3 | 128.3 | -3.7 | 108.3 | R158 S162 | R158-R160 PolarHBondContact O-N 3.31Å; R160-S162 PolarHBondContact O-N 2.81Å | ||
| 161 | S | 32.8 | Very low | 41.5 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | trans | -51.9 | 108.8 | 164.2 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | P159 N163 | P159-S161 PolarHBondContact O-N 2.9Å; S161-N163 PolarHBondContact O-N 3.19Å | ||
| 162 | S | 29.2 | Very low | 39 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | trans | -76.7 | 72.2 | -175.9 | 55 | 0 | 0 | 0 | 0 | 109.7 | R160 | R160-S162 PolarHBondContact O-N 2.81Š| ||
| 163 | N | 25.3 | Very low | 36.6 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -121 | 58.6 | 161.4 | -79.1 | -14.2 | 0 | 0 | 0 | 108.3 | S161 | S161-N163 PolarHBondContact O-N 3.19Š| ||
| 164 | A | 25.8 | Very low | 34.3 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | trans | -128.9 | 86.7 | 163 | 0 | 0 | 0 | 0 | 0 | 106.6 | N166 | A164-N166 PolarHBondContact O-N 2.96Š| ||
| 165 | S | 26.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -44.9 | 131.5 | 166.4 | 15 | 0 | 0 | 0 | 0 | 110 | A167 | S165-A167 PolarHBondContact O-N 2.75Š| ||
| 166 | N | 22.8 | Very low | 30.3 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | trans | -42.7 | 96.8 | 168 | -74.4 | -34.1 | 0 | 0 | 0 | 111.1 | A164 | A164-N166 PolarHBondContact O-N 2.96Š| ||
| 167 | A | 24.6 | Very low | 28.4 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -114.5 | 104.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S165 | S165-A167 PolarHBondContact O-N 2.75Š| ||
| 168 | G | 24.2 | Very low | 27.1 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 70.3 | 98 | 144.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | I170 | G168-I170 PolarHBondContact O-N 2.7Š| ||
| 169 | Q | 22 | Very low | 25.9 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -49.1 | 115.8 | 146.6 | -71.3 | 173.4 | -16 | 0 | 0 | 110 | ||||
| 170 | I | 25.1 | Very low | 25.1 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -134.6 | 108.7 | 149.1 | -59.4 | -178.7 | 0 | 0 | 0 | 105.3 | G168 | G168-I170 PolarHBondContact O-N 2.7Š| ||
| 171 | G | 21.4 | Very low | 24.3 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -79.4 | 147.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 172 | E | 23.5 | Very low | 23.7 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -160.7 | 118.7 | 150.1 | -117.2 | 165.1 | -172.1 | 0 | 0 | 111.2 | ||||
| 173 | S | 24.2 | Very low | 23.5 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 48.2 | 101 | 139.6 | -174.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 174 | T | 23.8 | Very low | 23.3 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | 19 | 124.2 | 122.4 | 42.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 175 | A | 22.4 | Very low | 23.4 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 74.4 | 95.7 | 133.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 176 | D | 27 | Very low | 23.2 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -131.4 | 101.8 | 141.5 | -92.9 | -36.3 | 0 | 0 | 0 | 109.9 | ||||
| 177 | R | 20.7 | Very low | 23.4 | Very low | 250 Ų | 250 | 131.6 Ų | 131.6 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | trans | -111.1 | 101.1 | 161 | -82.2 | 177.1 | 91.5 | 171.7 | 6.5 | 106.7 | ||||
| 178 | V | 26.2 | Very low | 23.2 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -135.1 | 93.4 | 162.5 | -179.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 179 | L | 22.8 | Very low | 23.3 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | 52.5 | 122.7 | 92.6 | -97.6 | 156.4 | 0 | 0 | 0 | 115.8 | |||||
| 180 | A | 21.5 | Very low | 23.2 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 79.4 | 99.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 181 | A | 19.3 | Very low | 23.4 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | 6.2 | 139.7 | 124.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 182 | S | 20.9 | Very low | 23.4 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 123.4 | 99.1 | 148.7 | -54 | 0 | 0 | 0 | 0 | 113 | ||||
| 183 | T | 23.7 | Very low | 23.6 | Very low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -157.2 | 101.9 | 135.6 | 40.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 184 | S | 21.9 | Very low | 23.6 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -62.9 | 126.3 | 156 | 167 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 185 | S | 27 | Very low | 23.5 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -118 | 96.7 | 166.6 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | V187 | S185-V187 PolarHBondContact O-N 2.68Š| ||
| 186 | H | 21.8 | Very low | 24 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | -32.8 | 122.3 | 153.3 | -122.8 | -100.1 | 0 | 0 | 0 | 112.4 | ||||
| 187 | V | 27.3 | Very low | 23.8 | Very low | 138 Ų | 138 | 139 Ų | 139 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -127.9 | 99.1 | 148.2 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | S185 | S185-V187 PolarHBondContact O-N 2.68Š| ||
| 188 | T | 20.7 | Very low | 24.2 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 126.6 | 161.7 | 26.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 189 | E | 25.8 | Very low | 24.2 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -141.9 | 130.7 | 148.4 | -146.4 | 167.3 | -154.8 | 0 | 0 | 110.1 | ||||
| 190 | S | 20.5 | Very low | 24.3 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -107.4 | 133.9 | -163.3 | 37.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 191 | S | 29.1 | Very low | 24.6 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -158.2 | 108.2 | 154.4 | 55.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 192 | S | 21.7 | Very low | 24.7 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -75.4 | 127.3 | 172.9 | 49 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 193 | I | 26.9 | Very low | 25.1 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | trans | -146.8 | 111.3 | 156.6 | -59 | -175.7 | 0 | 0 | 0 | 110.9 | ||||
| 194 | H | 24 | Very low | 25.3 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 48.4 | 108.8 | 148.5 | -89.5 | -61.4 | 0 | 0 | 0 | 123.4 | ||||
| 195 | E | 23.3 | Very low | 25.4 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 150.4 | 145.1 | -69.7 | 177.5 | 148.8 | 0 | 0 | 112.3 | ||||
| 196 | P | 32.9 | Very low | 25.5 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -112.2 | 122.4 | 144.5 | 31.1 | -17.7 | 0 | 0 | 0 | 111.3 | ||||
| 197 | N | 22.4 | Very low | 25.6 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -72.4 | 128.9 | 166.2 | -91.3 | -51.8 | 0 | 0 | 0 | 111.5 | ||||
| 198 | I | 28.1 | Very low | 25.5 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -145.7 | 114.3 | 152 | -60.7 | -174.3 | 0 | 0 | 0 | 111.1 | ||||
| 199 | S | 26.4 | Very low | 25.9 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | 47.8 | 105.1 | 143 | -163.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 200 | A | 24.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | 57.5 | 104.7 | 77.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 201 | G | 28.1 | Very low | 26.4 | Very low | 79 Ų | 79 | 151 Ų | 151 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -159.6 | 98.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 202 | D | 22.4 | Very low | 26.4 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -69 | 166 | 179.4 | -71.1 | -53 | 0 | 0 | 0 | 113.8 | ||||
| 203 | K | 28 | Very low | 26.8 | Very low | 185 Ų | 185 | 153 Ų | 153 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 99.6 | 128.2 | 168 | -60.3 | -178.7 | 177.6 | -167 | 0 | 113.4 | ||||
| 204 | E | 28.5 | Very low | 26.8 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | -154 | 148.3 | 14.3 | -106.8 | 149.8 | -159.9 | 0 | 0 | 107.5 | ||||
| 205 | K | 23 | Very low | 26.9 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -79.2 | 128.8 | 172 | -75 | 175.3 | 172.1 | 178.8 | 0 | 108.9 | ||||
| 206 | E | 29.5 | Very low | 27 | Very low | 197 Ų | 197 | 147 Ų | 147 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -129.3 | 151.6 | 151.7 | -108.5 | -178 | 172.7 | 0 | 0 | 110 | ||||
| 207 | E | 25.1 | Very low | 26.6 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -70.1 | 157.6 | -150.2 | -100.4 | 165.9 | 135.5 | 0 | 0 | 117 | ||||
| 208 | V | 25 | Very low | 26.7 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | trans | -71.7 | 125.5 | 171.3 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | D210 | V208-D210 HydrophobicContact CG1-CB 4.09Š| ||
| 209 | D | 29.3 | Very low | 26.4 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -122.8 | 104.1 | 150.7 | -89.2 | -33.2 | 0 | 0 | 0 | 108.3 | E211 | D209-E211 PolarHBondContact O-N 2.99Š| ||
| 210 | D | 25.8 | Very low | 26.3 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | -86.7 | 76.7 | -177.5 | -169.3 | 21.3 | 0 | 0 | 0 | 109.4 | V208 T212 | V208-D210 HydrophobicContact CG1-CB 4.09Å; D210-T212 PolarHBondContact O-N 3.18Å | ||
| 211 | E | 29.6 | Very low | 26.1 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -86.8 | 95.1 | 164.9 | -86.6 | -162.4 | 161.1 | 0 | 0 | 110 | D209 N213 | D209-E211 PolarHBondContact O-N 2.99Å; E211-N213 VanDerWaalsContact C-N 3.28Å; E211-N213 PolarHBondContact O-N 3.28Å | ||
| 212 | T | 30.1 | Very low | 25.9 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -50.7 | 81.9 | 166 | 37.7 | 0 | 0 | 0 | 0 | 112.1 | D210 S214 | D210-T212 PolarHBondContact O-N 3.18Å; T212-S214 VanDerWaalsContact C-N 3.27Å; T212-S214 PolarHBondContact O-N 2.81Å | ||
| 213 | N | 29 | Very low | 25.8 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -78.5 | 84 | 172.3 | -149.6 | -1.8 | 0 | 0 | 0 | 109.4 | E211 S215 | E211-N213 VanDerWaalsContact C-N 3.28Å; E211-N213 PolarHBondContact O-N 3.28Å; N213-S215 PolarHBondContact O-N 2.76Å | ||
| 214 | S | 26.8 | Very low | 25.7 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | trans | -41.3 | 110.7 | 170.5 | 138.9 | 0 | 0 | 0 | 0 | 110.1 | T212 K216 | T212-S214 VanDerWaalsContact C-N 3.27Å; T212-S214 PolarHBondContact O-N 2.81Å; S214-K216 PolarHBondContact O-N 2.85Å | ||
| 215 | S | 27.4 | Very low | 25.3 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -60.1 | 86 | 167.4 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | N213 T217 | N213-S215 PolarHBondContact O-N 2.76Å; S215-T217 VanDerWaalsContact C-N 3.3Å; S215-T217 PolarHBondContact O-N 2.96Å | ||
| 216 | K | 25.6 | Very low | 25.4 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 94.8 | 166.7 | -81.9 | 179.8 | 177.9 | 171.3 | 0 | 106.9 | S214 V218 | S214-K216 PolarHBondContact O-N 2.85Å; K216-V218 VanDerWaalsContact C-N 3.34Å; K216-V218 PolarHBondContact O-N 2.97Å | ||
| 217 | T | 24.1 | Very low | 25.3 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -62.2 | 99.1 | 163.1 | 6.3 | 0 | 0 | 0 | 0 | 107 | S215 R219 | S215-T217 VanDerWaalsContact C-N 3.3Å; S215-T217 PolarHBondContact O-N 2.96Å; T217-R219 PolarHBondContact O-N 2.8Å | ||
| 218 | V | 24.3 | Very low | 25.3 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -68.6 | 99 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | K216 L220 | K216-V218 VanDerWaalsContact C-N 3.34Å; K216-V218 PolarHBondContact O-N 2.97Å; V218-L220 HydrophobicContact CG1-CD1 4.46Å; V218-L220 HydrophobicContact CG1-CG 4.48Å; V218-L220 PolarHBondContact O-N 2.75Å; V218-L220 VanDerWaalsContact O-N 3.09Å | ||
| 219 | R | 22.7 | Very low | 25.2 | Very low | 235 Ų | 235 | 132.3 Ų | 132.3 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -74.8 | 93.2 | 168.5 | -72.8 | -175.3 | 173.9 | 151 | -0.1 | 108 | T217 A221 | T217-R219 PolarHBondContact O-N 2.8Å; R219-A221 PolarHBondContact O-N 3.35Å; R219-A221 VanDerWaalsContact O-N 3.1Å | ||
| 220 | L | 22.9 | Very low | 24.8 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -66.1 | 103.6 | 167.4 | -101.6 | 139.1 | 0 | 0 | 0 | 108.6 | V218 V222 | V218-L220 HydrophobicContact CG1-CD1 4.46Å; V218-L220 HydrophobicContact CG1-CG 4.48Å; V218-L220 PolarHBondContact O-N 2.75Å; V218-L220 VanDerWaalsContact O-N 3.09Å; L220-V222 PolarHBondContact O-N 3.16Å; L220-V222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | A | 21.4 | Very low | 24.6 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -78.9 | 85.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R219 T223 | R219-A221 PolarHBondContact O-N 3.35Å; R219-A221 VanDerWaalsContact O-N 3.1Å; A221-T223 PolarHBondContact O-N 3.41Å; A221-T223 VanDerWaalsContact O-N 3.09Å | ||
| 222 | V | 23.7 | Very low | 24.2 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 57% | 0.57 | 75% | 0.753 | S | S | * | * | trans | -73.7 | 101 | 171 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | L220 V224 | L220-V222 PolarHBondContact O-N 3.16Å; L220-V222 VanDerWaalsContact O-N 3.13Å; V222-V224 HydrophobicContact CG1-CG2 3.98Å; V222-V224 PolarHBondContact O-N 2.88Å | ||
| 223 | T | 20.4 | Very low | 23.7 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -81.6 | 93.5 | 172.9 | -51.7 | 0 | 0 | 0 | 0 | 107.6 | A221 A225 | A221-T223 PolarHBondContact O-N 3.41Å; A221-T223 VanDerWaalsContact O-N 3.09Å; T223-A225 PolarHBondContact O-N 2.87Å; T223-A225 VanDerWaalsContact O-N 3.11Å | ||
| 224 | V | 24.5 | Very low | 23.2 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 53% | 0.527 | 76% | 0.758 | S | S | . | * | trans | -72.4 | 103.3 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | V222 S226 | V222-V224 HydrophobicContact CG1-CG2 3.98Å; V222-V224 PolarHBondContact O-N 2.88Å; V224-S226 PolarHBondContact O-N 3.44Å; V224-S226 VanDerWaalsContact O-N 3.1Å | ||
| 225 | A | 21.1 | Very low | 22.8 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -60.4 | 112.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T223 N227 | T223-A225 PolarHBondContact O-N 2.87Å; T223-A225 VanDerWaalsContact O-N 3.11Å; A225-N227 PolarHBondContact O-N 2.95Å | ||
| 226 | S | 25.9 | Very low | 22.6 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -72.4 | 83.8 | 175.3 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | V224 | V224-S226 PolarHBondContact O-N 3.44Å; V224-S226 VanDerWaalsContact O-N 3.1Å | ||
| 227 | N | 26.1 | Very low | 22.4 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -97.3 | 87.1 | 168.9 | -79.4 | -10.4 | 0 | 0 | 0 | 109.5 | A225 A229 | A225-N227 PolarHBondContact O-N 2.95Å; N227-A229 PolarHBondContact O-N 3.36Å | ||
| 228 | E | 25.5 | Very low | 22.4 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 23 | -178.1 | -68.7 | -172.5 | 148.2 | 0 | 0 | 115.4 | ||
| 229 | A | 22.2 | Very low | 22.3 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 14.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N227 | N227-A229 PolarHBondContact O-N 3.36Š|
| 230 | M | 21.2 | Very low | 22.5 | Very low | 178 Ų | 178 | 119.6 Ų | 119.6 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | trans | -137.6 | 51 | 179.3 | -135.2 | -179.2 | 177.9 | 0 | 0 | 112.7 | ||||
| 231 | L | 21.4 | Very low | 22.5 | Very low | 163 Ų | 163 | 117.1 Ų | 117.1 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | trans | -99.3 | 14.4 | -179.3 | -107.9 | 160.9 | 0 | 0 | 0 | 114.4 | ||||
| 232 | C | 20.9 | Very low | 22.6 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -142.8 | 112.6 | 174.2 | -66.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 233 | N | 19.7 | Very low | 22.5 | Very low | 145 Ų | 145 | 121.3 Ų | 121.3 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | trans | 125.1 | 30.8 | 164.6 | -66.6 | -15.2 | 0 | 0 | 0 | 117.9 | ||||
| 234 | F | 18.5 | Very low | 22.7 | Very low | 206 Ų | 206 | 122.1 Ų | 122.1 | 90% | 0.904 | 68% | 0.679 | S | S | * | * | trans | -105.5 | 94.2 | 155.9 | -115.9 | -102.2 | 0 | 0 | 0 | 108 | ||||
| 235 | V | 20.3 | Very low | 22.6 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | trans | -117.5 | 117 | -166.6 | 162.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 236 | Y | 22.5 | Very low | 22.8 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 37% | 0.373 | 69% | 0.691 | S | S | . | * | trans | 55.7 | 109.1 | 152.2 | -73.7 | -104.1 | 0 | 0 | 0 | 118.9 | E806 K808 | Y236-E806 PolarHBondContact OH-OE2 3.14Å; Y236-K808 HydrophobicContact CE2-CD 4.42Å; Y236-K808 VanDerWaalsContact OH-CD 3.23Å; Y236-K808 WeakPolarHBondContact OH-CD 3.38Å; Y236-K808 WeakPolarHBondContact OH-CE 3.36Å; Y236-K808 PolarHBondContact OH-NZ 2.6Å | ||
| 237 | S | 21.2 | Very low | 22.9 | Very low | 82 Ų | 82 | 127 Ų | 127 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | trans | -142.9 | 154.6 | 145.4 | -77 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 238 | F | 24.1 | Very low | 22.9 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | trans | 81.2 | 81.2 | 178.8 | -38.7 | -67.4 | 0 | 0 | 0 | 117.1 | ||||
| 239 | S | 23 | Very low | 22.9 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | trans | -151.3 | 109 | 152 | -36.7 | 0 | 0 | 0 | 0 | 108.3 | G63 | G63-S239 PolarHBondContact O-OG 3.42Š| ||
| 240 | I | 25.6 | Very low | 23.1 | Very low | 79 Ų | 79 | 119.5 Ų | 119.5 | 41% | 0.405 | 68% | 0.677 | S | S | . | * | trans | -119.4 | 132.7 | -173.5 | -62.4 | 168.7 | 0 | 0 | 0 | 110.1 | L242 H425 | I240-L242 HydrophobicContact CG2-CG 4.08Å; I240-H425 WeakPolarHBondContact CD1-CD2 3.49Å | ||
| 241 | P | 23.2 | Very low | 23.2 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | trans | -98.3 | 111.6 | 162.4 | 31.7 | -21.6 | 0 | 0 | 0 | 110.5 | ||||
| 242 | L | 23.4 | Very low | 23.3 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | trans | -105.6 | 103.5 | 162.4 | -79.8 | 172.4 | 0 | 0 | 0 | 108.7 | I66 I240 I244 | I66-L242 HydrophobicContact CD1-CB 4.14Å; I240-L242 HydrophobicContact CG2-CG 4.08Å; L242-I244 PolarHBondContact O-N 3.13Å; L242-I244 VanDerWaalsContact O-N 3.09Å | ||
| 243 | L | 21.5 | Very low | 23.4 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 89% | 0.885 | 68% | 0.677 | S | S | * | * | trans | -64.9 | 99.6 | 168.1 | -132.2 | 87.2 | 0 | 0 | 0 | 108.2 | ||||
| 244 | I | 24.4 | Very low | 23.6 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -84.5 | 122.2 | 163.5 | -59.4 | 177.4 | 0 | 0 | 0 | 107 | L242 N246 | L242-I244 PolarHBondContact O-N 3.13Å; L242-I244 VanDerWaalsContact O-N 3.09Å; I244-N246 PolarHBondContact O-N 3.41Å | ||
| 245 | P | 23.1 | Very low | 23.8 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | -59.4 | 136.1 | 177.9 | -19.7 | 30.6 | 0 | 0 | 0 | 111.6 | ||||
| 246 | N | 25.1 | Very low | 23.9 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 67% | 0.668 | 68% | 0.684 | S | S | * | * | trans | -44 | 123 | -179.4 | -178 | -2.2 | 0 | 0 | 0 | 113.6 | I244 A248 | I244-N246 PolarHBondContact O-N 3.41Å; N246-A248 PolarHBondContact O-N 3.36Å; N246-A248 VanDerWaalsContact O-N 3.09Å; N246-A248 VanDerWaalsContact OD1-CB 3.25Å; N246-A248 WeakPolarHBondContact OD1-CB 3.42Å; N246-A248 PolarHBondContact OD1-N 3.31Å | ||
| 247 | P | 27.1 | Very low | 23.8 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 84% | 0.844 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 10.7 | 177.5 | 27.2 | -31.9 | 0 | 0 | 0 | 115.4 | A249 | P247-A249 VanDerWaalsContact C-N 3.34Å; P247-A249 PolarHBondContact O-N 2.85Å |
| 248 | A | 27.4 | Very low | 24.1 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 60% | 0.603 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 10.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N246 P250 | N246-A248 PolarHBondContact O-N 3.36Å; N246-A248 VanDerWaalsContact O-N 3.09Å; N246-A248 VanDerWaalsContact OD1-CB 3.25Å; N246-A248 WeakPolarHBondContact OD1-CB 3.42Å; N246-A248 PolarHBondContact OD1-N 3.31Å; A248-P250 WeakPolarHBondContact O-CD 3.23Å |
| 249 | A | 24.5 | Very low | 24 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -80.9 | 116.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P247 L251 | P247-A249 VanDerWaalsContact C-N 3.34Å; P247-A249 PolarHBondContact O-N 2.85Å; A249-L251 PolarHBondContact O-N 3.33Å |
| 250 | P | 26.9 | Very low | 24.1 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -65.6 | 119.2 | -175.5 | -16 | 29.1 | 0 | 0 | 0 | 111.6 | A248 M252 | A248-P250 WeakPolarHBondContact O-CD 3.23Å; P250-M252 PolarHBondContact O-N 2.92Å | ||
| 251 | L | 23.7 | Very low | 24 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | -63.7 | 96.3 | 168.1 | -82.9 | 158.4 | 0 | 0 | 0 | 109.9 | A249 Y253 | A249-L251 PolarHBondContact O-N 3.33Å; L251-Y253 VanDerWaalsContact C-N 3.32Å; L251-Y253 HydrophobicContact CB-CD2 4.42Å; L251-Y253 PolarHBondContact O-N 3.37Å | ||
| 252 | M | 23.3 | Very low | 24.1 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -74.6 | 88.1 | 164.8 | -80 | -71.8 | -71.8 | 0 | 0 | 109.2 | P250 A254 | P250-M252 PolarHBondContact O-N 2.92Å; M252-A254 PolarHBondContact O-N 3.49Å | ||
| 253 | Y | 23.7 | Very low | 24 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -67.9 | 102.3 | 166.3 | -106.1 | -94.1 | 0 | 0 | 0 | 109.5 | L251 I255 | L251-Y253 VanDerWaalsContact C-N 3.32Å; L251-Y253 HydrophobicContact CB-CD2 4.42Å; L251-Y253 PolarHBondContact O-N 3.37Å; Y253-I255 HydrophobicContact CD1-CG1 4.15Å | ||
| 254 | A | 23.7 | Very low | 24 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -94.7 | 94.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | M252 Q256 | M252-A254 PolarHBondContact O-N 3.49Å; A254-Q256 PolarHBondContact O-N 3.46Å | ||
| 255 | I | 21.3 | Very low | 23.8 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | trans | -65.5 | 115.8 | 171.3 | -65.1 | 165.6 | 0 | 0 | 0 | 107.7 | Y253 T257 | Y253-I255 HydrophobicContact CD1-CG1 4.15Å; I255-T257 HydrophobicContact CG2-CG2 3.88Å | ||
| 256 | Q | 22.6 | Very low | 23.8 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -117.1 | 99.3 | 162.9 | -157.1 | 166.9 | -19.3 | 0 | 0 | 108.7 | A254 S258 | A254-Q256 PolarHBondContact O-N 3.46Å; Q256-S258 PolarHBondContact O-N 3.15Å | ||
| 257 | T | 21.7 | Very low | 23.8 | Very low | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 114.6 | 172.7 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | I255 | I255-T257 HydrophobicContact CG2-CG2 3.88Š| ||
| 258 | S | 27.7 | Very low | 23.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -140.9 | 91.3 | 155.8 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | Q256 P260 | Q256-S258 PolarHBondContact O-N 3.15Å; S258-P260 WeakPolarHBondContact O-CD 3.41Å | ||
| 259 | L | 20.9 | Very low | 23.3 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 124 | 173.2 | -161.4 | 80.9 | 0 | 0 | 0 | 109 | V261 | L259-V261 HydrophobicContact CD2-CG2 3.53Å; L259-V261 HydrophobicContact CG-CG2 4.1Å | ||
| 260 | P | 25.2 | Very low | 23.3 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -99.9 | 102.2 | 156.1 | 14.4 | 5.1 | 0 | 0 | 0 | 108 | S258 N262 | S258-P260 WeakPolarHBondContact O-CD 3.41Å; P260-N262 PolarHBondContact O-N 3.09Å | ||
| 261 | V | 23.1 | Very low | 23.1 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | trans | -65.8 | 106.3 | 167.7 | 175.9 | 0 | 0 | 0 | 0 | 107.8 | L259 | L259-V261 HydrophobicContact CD2-CG2 3.53Å; L259-V261 HydrophobicContact CG-CG2 4.1Å | ||
| 262 | N | 25.5 | Very low | 23.1 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -127.9 | 86.4 | 162 | -92.5 | -33.3 | 0 | 0 | 0 | 109.7 | P260 | P260-N262 PolarHBondContact O-N 3.09Š| ||
| 263 | L | 22.5 | Very low | 23 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 44.3 | 92 | 133.7 | -73 | 150 | 0 | 0 | 0 | 116.7 | R265 | L263-R265 PolarHBondContact O-N 3.43Š| ||
| 264 | C | 20.4 | Very low | 23 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -47.3 | 121.3 | 146.1 | -75.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 265 | R | 21.5 | Very low | 22.8 | Very low | 228 Ų | 228 | 144.3 Ų | 144.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -119.6 | 102.7 | 150.3 | -87 | -171.3 | 172.9 | 171.1 | -1.2 | 107.6 | L263 V267 | L263-R265 PolarHBondContact O-N 3.43Å; R265-V267 PolarHBondContact O-N 2.85Å | ||
| 266 | P | 23.1 | Very low | 22.8 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 117.7 | 168.8 | 28 | -24.5 | 0 | 0 | 0 | 107.5 | E268 | P266-E268 PolarHBondContact O-N 2.94Š|
| 267 | V | 24 | Very low | 22.9 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75 | 119.6 | 171.3 | 177 | 0 | 0 | 0 | 0 | 107.1 | R265 | R265-V267 PolarHBondContact O-N 2.85Š|
| 268 | E | 22.6 | Very low | 23 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144.2 | -174.1 | -69.3 | 171.5 | 143.7 | 0 | 0 | 112.9 | P266 T270 | P266-E268 PolarHBondContact O-N 2.94Å; E268-T270 PolarHBondContact O-N 2.88Å |
| 269 | N | 21.9 | Very low | 22.9 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -61.8 | 107.5 | 172 | -73 | -36.6 | 0 | 0 | 0 | 111.3 | V271 | N269-V271 HydrophobicContact CB-CG2 4.49Å; N269-V271 PolarHBondContact O-N 2.95Å | ||
| 270 | T | 24.8 | Very low | 23 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -90.5 | 87.8 | 162.8 | -40.5 | 0 | 0 | 0 | 0 | 109.1 | E268 | E268-T270 PolarHBondContact O-N 2.88Š| ||
| 271 | V | 21.8 | Very low | 22.9 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -88 | 101.6 | 166 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | N269 | N269-V271 HydrophobicContact CB-CG2 4.49Å; N269-V271 PolarHBondContact O-N 2.95Å | ||
| 272 | A | 23.5 | Very low | 22.9 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | -163.5 | 105.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 273 | R | 20.8 | Very low | 22.8 | Very low | 237 Ų | 237 | 143.8 Ų | 143.8 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | 37.7 | 103.2 | 135.9 | -66.4 | 176.5 | 175.1 | 152.2 | -1.5 | 117.6 | ||||
| 274 | C | 24.1 | Very low | 22.7 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 95% | 0.946 | 80% | 0.797 | S | S | * | * | trans | -123.3 | 121 | 134.7 | -94.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 275 | L | 19.7 | Very low | 22.9 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -79.9 | 157.7 | 171.6 | -73.7 | 156.3 | 0 | 0 | 0 | 109.3 | ||||
| 276 | S | 21.3 | Very low | 23 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | 71.8 | 117.9 | 147.4 | 80.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 277 | D | 26 | Very low | 22.8 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | 142.1 | 119.5 | 115 | -70.8 | -39.7 | 0 | 0 | 0 | 113.1 | |||||
| 278 | D | 23.8 | Very low | 22.8 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 54.5 | 97.5 | 143.2 | -62.9 | -21.8 | 0 | 0 | 0 | 120 | ||||
| 279 | M | 24.4 | Very low | 22.9 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -132.2 | 125.6 | 137.8 | -98.4 | -66.9 | 116.7 | 0 | 0 | 110.3 | ||||
| 280 | P | 23.7 | Very low | 23.1 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | trans | -81.8 | 134 | -164.1 | 32 | -32.4 | 0 | 0 | 0 | 112.4 | S282 | P280-S282 PolarHBondContact O-N 3.32Å; P280-S282 VanDerWaalsContact O-N 3.14Å | ||
| 281 | S | 22.4 | Very low | 22.9 | Very low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -54.6 | 109.6 | 163 | 51 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | S | 23.5 | Very low | 23.2 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | trans | -136.5 | 66.4 | 175 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | P280 | P280-S282 PolarHBondContact O-N 3.32Å; P280-S282 VanDerWaalsContact O-N 3.14Å | ||
| 283 | F | 23.7 | Very low | 23.2 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -146.5 | 89.8 | 153.5 | -80 | -69.7 | 0 | 0 | 0 | 109.3 | V285 | F283-V285 PolarHBondContact O-N 3.46Š| ||
| 284 | S | 19.9 | Very low | 23.6 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -76.1 | 105.4 | 163.7 | 38 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 285 | V | 25.3 | Very low | 23.9 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -102 | 131 | 161.6 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | F283 | F283-V285 PolarHBondContact O-N 3.46Š|
| 286 | I | 23.1 | Very low | 24.5 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 133.4 | -168.3 | -67.1 | 161 | 0 | 0 | 0 | 111 | ||
| 287 | S | 19.5 | Very low | 25.2 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 126 | 167.8 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 288 | S | 23.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -157.7 | 125.6 | 159.3 | 50.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 289 | S | 23.7 | Very low | 27.3 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | 86.7 | 115.8 | 163.4 | -162.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 290 | P | 26.1 | Very low | 29.3 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | -97.3 | 157.5 | 175.7 | 37.4 | -30.7 | 0 | 0 | 0 | 114.3 | ||||
| 291 | S | 21.8 | Very low | 32.2 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | 70 | 125.9 | 161.2 | 64.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 292 | P | 27.5 | Very low | 35.4 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | -113.3 | 136 | 69.1 | 35 | -31.3 | 0 | 0 | 0 | 114 | S294 | P292-S294 PolarHBondContact O-N 3.31Š| |||
| 293 | T | 24.3 | Very low | 38.6 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 85% | 0.847 | 71% | 0.706 | S | S | * | * | trans | -60.8 | 107.2 | 162.1 | 40.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 294 | S | 29.6 | Very low | 41.8 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | trans | -155.3 | 89.6 | 139.3 | 65.6 | 0 | 0 | 0 | 0 | 107.2 | P292 V296 | P292-S294 PolarHBondContact O-N 3.31Å; S294-V296 PolarHBondContact O-N 3.01Å | ||
| 295 | S | 29.3 | Very low | 45.3 | Very low | 122 Ų | 122 | 102.2 Ų | 102.2 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | trans | -67.5 | 68.1 | 164.4 | 53.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 296 | V | 32.3 | Very low | 48.5 | Very low | 96 Ų | 96 | 95.7 Ų | 95.7 | 58% | 0.582 | 60% | 0.595 | S | S | * | * | trans | -72 | 118.6 | 153.5 | -174.6 | 0 | 0 | 0 | 0 | 103.1 | S294 I298 | S294-V296 PolarHBondContact O-N 3.01Å; V296-I298 PolarHBondContact O-N 3.45Å | ||
| 297 | P | 36.3 | Very low | 51.9 | Low | 111 Ų | 111 | 88.5 Ų | 88.5 | 72% | 0.721 | 56% | 0.558 | S | S | * | * | trans | -53.7 | 118.2 | 174.2 | 3.8 | 2 | 0 | 0 | 0 | 105.3 | E299 | P297-E299 VanDerWaalsContact C-N 3.32Å; P297-E299 PolarHBondContact O-N 2.84Å | ||
| 298 | I | 44.2 | Very low | 55.5 | Low | 162 Ų | 162 | 82.7 Ų | 82.7 | 83% | 0.831 | 52% | 0.518 | S | S | * | . | trans | -49 | 106.1 | 179.8 | -63.4 | 167.2 | 0 | 0 | 0 | 105.2 | V296 S300 | V296-I298 PolarHBondContact O-N 3.45Å; I298-S300 PolarHBondContact O-N 3.17Å | ||
| 299 | E | 49.5 | Very low | 58.8 | Low | 165 Ų | 165 | 77.7 Ų | 77.7 | 77% | 0.771 | 48% | 0.482 | S | S | * | . | trans | -51.9 | 128.4 | -176.8 | -77.4 | 176.5 | 145.3 | 0 | 0 | 106.2 | P297 Q301 | P297-E299 VanDerWaalsContact C-N 3.32Å; P297-E299 PolarHBondContact O-N 2.84Å; E299-Q301 PolarHBondContact O-N 2.99Å | ||
| 300 | S | 66.7 | Low | 62 | Low | 68 Ų | 68 | 73.7 Ų | 73.7 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | trans | -67.1 | 82.1 | -163.5 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | I298 K367 | I298-S300 PolarHBondContact O-N 3.17Å; S300-K367 WeakPolarHBondContact O-CB 3.39Å; S300-K367 WeakPolarHBondContact OG-CB 3.35Å; S300-K367 WeakPolarHBondContact OG-CD 3.42Å | ||
| 301 | Q | 84.9 | Confident | 65.2 | Low | 100 Ų | 100 | 69 Ų | 69 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | trans | -67.9 | 130.2 | 177.4 | -165.9 | 178 | 18.6 | 0 | 0 | 108.2 | E299 | E299-Q301 PolarHBondContact O-N 2.99Š| ||
| 302 | V | 88.9 | Confident | 68.3 | Low | 23 Ų | 23 | 65.5 Ų | 65.5 | 14% | 0.139 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.7 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | R320 F363 A365 K367 | V302-R320 VanDerWaalsContact CG1-NH1 3.28Å; V302-F363 HydrophobicContact CG1-CE2 4.36Å; V302-A365 PolarHBondContact N-O 3.32Å; V302-A365 PolarHBondContact O-N 3.24Å; V302-K367 HydrophobicContact CG2-CB 4.39Å |
| 303 | S | 90.7 | Very high | 71.3 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 42% | 0.42 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.5 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 110 | R320 F363 | S303-R320 PolarHBondContact O-NH2 2.62Å; S303-F363 WeakPolarHBondContact CA-O 3.38Å |
| 304 | G | 91.3 | Very high | 74.3 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -170.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K362 F363 | G304-K362 CarbonylContact O-C 3.58Å; G304-K362 WeakPolarHBondContact O-CA 3.47Å; G304-F363 PolarHBondContact N-O 2.74Å; G304-F363 WeakPolarHBondContact O-CD1 3.32Å; G304-F363 PolarHBondContact O-N 3.27Å |
| 305 | I | 92.1 | Very high | 77.1 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.5 | 174.3 | -62.9 | -175.4 | 0 | 0 | 0 | 107.6 | R320 I321 V360 L361 K362 V389 L396 V397 | I305-R320 CarbonylContact O-C 3.58Å; I305-R320 WeakPolarHBondContact O-CA 3.5Å; I305-I321 HydrophobicContact CG2-CD1 4.3Å; I305-I321 PolarHBondContact O-N 3.29Å; I305-V360 HydrophobicContact CG2-CG1 3.13Å; I305-L361 CarbonylContact C-O 3.34Å; I305-L361 WeakPolarHBondContact CA-O 3.43Å; I305-K362 HydrophobicContact CG1-CB 4.31Å; I305-V389 HydrophobicContact CD1-CG1 4.11Å; I305-V389 HydrophobicContact CD1-CG2 4.25Å; I305-V389 HydrophobicContact CG2-CG2 4.37Å; I305-L396 HydrophobicContact CD1-CB 3.44Å; I305-L396 VanDerWaalsContact CD1-CB 3.44Å; I305-L396 HydrophobicContact CD1-CD1 4.1Å; I305-L396 HydrophobicContact CD1-CG 4.42Å; I305-V397 HydrophobicContact CD1-CG2 4.36Å |
| 306 | G | 93.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 146.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L319 V360 L361 | G306-L319 CarbonylContact C-O 3.6Å; G306-L319 WeakPolarHBondContact CA-O 3.41Å; G306-V360 WeakPolarHBondContact O-CA 3.3Å; G306-L361 PolarHBondContact N-O 3.07Å; G306-L361 PolarHBondContact O-N 3.3Å |
| 307 | L | 94.1 | Very high | 83 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.7 | 171 | 178.1 | 70.7 | 0 | 0 | 0 | 109.5 | L309 L318 L319 I321 V360 I404 M405 A408 | L307-L309 HydrophobicContact CD2-CD2 3.87Å; L307-L309 HydrophobicContact CG-CD2 4.17Å; L307-L309 PolarHBondContact O-N 2.94Å; L307-L318 CarbonylContact O-C 3.59Å; L307-L318 VanDerWaalsContact O-CA 3.26Å; L307-L318 WeakPolarHBondContact O-CA 3.43Å; L307-L319 PolarHBondContact N-O 3.27Å; L307-L319 PolarHBondContact O-N 3.26Å; L307-I321 HydrophobicContact CB-CD1 4.14Å; L307-I321 HydrophobicContact CB-CG1 4.32Å; L307-V360 HydrophobicContact CD1-CG2 3.94Å; L307-I404 HydrophobicContact CD1-CG2 4.35Å; L307-I404 HydrophobicContact CD2-CG2 3.97Å; L307-M405 HydrophobicContact CD1-CG 4.01Å; L307-M405 HydrophobicContact CD2-CG 4.09Å; L307-A408 HydrophobicContact CD2-CB 3.63Å |
| 308 | L | 95.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 110.5 | 175.8 | -173 | 61.2 | 0 | 0 | 0 | 110.8 | F310 L311 L318 F338 L355 C356 G358 N359 L361 | L308-F310 VanDerWaalsContact CD1-O 3.26Å; L308-F310 WeakPolarHBondContact CD1-O 3.34Å; L308-L311 HydrophobicContact CD1-CD1 4.48Å; L308-L311 HydrophobicContact CD2-CB 4.32Å; L308-L311 HydrophobicContact CD2-CD1 4.12Å; L308-L311 HydrophobicContact CD2-CD2 4.18Å; L308-L311 HydrophobicContact CD2-CG 4.45Å; L308-L318 HydrophobicContact CB-CD2 3.84Å; L308-L318 HydrophobicContact CD1-CD2 3.74Å; L308-L318 HydrophobicContact CG-CD2 4.39Å; L308-F338 HydrophobicContact CD1-CE1 3.75Å; L308-F338 HydrophobicContact CD1-CZ 3.91Å; L308-L355 HydrophobicContact CD2-CB 4.24Å; L308-C356 WeakPolarHBondContact CD2-O 3.19Å; L308-G358 PolarHBondContact O-N 2.82Å; L308-N359 HydrophobicContact CB-CB 4.46Å; L308-N359 VanDerWaalsContact CB-O 3.32Å; L308-N359 WeakPolarHBondContact CB-O 3.29Å; L308-N359 HydrophobicContact CD2-CB 4.42Å; L308-N359 PolarHBondContact N-O 3.29Å; L308-L361 HydrophobicContact CD2-CD1 4.48Å |
| 309 | L | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -35.7 | -179.9 | -55.3 | -175.4 | 0 | 0 | 0 | 112.4 | L307 V317 L319 F335 L412 T420 L423 | L307-L309 HydrophobicContact CD2-CD2 3.87Å; L307-L309 HydrophobicContact CG-CD2 4.17Å; L307-L309 PolarHBondContact O-N 2.94Å; L309-V317 PolarHBondContact N-O 3.36Å; L309-L319 HydrophobicContact CD1-CB 3.73Å; L309-L319 HydrophobicContact CD2-CB 3.92Å; L309-L319 HydrophobicContact CD2-CD2 4.47Å; L309-L319 HydrophobicContact CG-CB 3.87Å; L309-F335 HydrophobicContact CD1-CD1 4.02Å; L309-F335 HydrophobicContact CD1-CE1 3.69Å; L309-L412 HydrophobicContact CD1-CD1 4Å; L309-L412 HydrophobicContact CD2-CD1 4.42Å; L309-T420 HydrophobicContact CB-CG2 4.46Å; L309-T420 PolarHBondContact O-OG1 3.47Å; L309-L423 HydrophobicContact CD2-CD2 3.72Å |
| 310 | F | 90.8 | Very high | 90 | Very high | 33 Ų | 33 | 25.6 Ų | 25.6 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 142.4 | -174.2 | -179.9 | -104.9 | 0 | 0 | 0 | 110.3 | V19 L308 V312 G316 V317 T420 Q422 | V19-F310 HydrophobicContact CG1-CD1 4.27Å; V19-F310 HydrophobicContact CG1-CE1 4.16Å; V19-F310 HydrophobicContact CG2-CB 4.22Å; V19-F310 HydrophobicContact CG2-CD1 3.76Å; V19-F310 HydrophobicContact CG2-CD2 3.29Å; V19-F310 HydrophobicContact CG2-CE1 3.83Å; V19-F310 HydrophobicContact CG2-CE2 3.38Å; V19-F310 HydrophobicContact CG2-CG 3.47Å; V19-F310 VanDerWaalsContact CG2-CG 3.47Å; V19-F310 HydrophobicContact CG2-CZ 3.64Å; L308-F310 VanDerWaalsContact CD1-O 3.26Å; L308-F310 WeakPolarHBondContact CD1-O 3.34Å; F310-V312 HydrophobicContact CE1-CB 4.38Å; F310-V312 HydrophobicContact CE1-CG1 3.49Å; F310-V312 VanDerWaalsContact CE1-CG1 3.49Å; F310-V312 HydrophobicContact CE1-CG2 4.14Å; F310-V312 HydrophobicContact CE2-CG1 4.29Å; F310-V312 HydrophobicContact CZ-CG1 3.32Å; F310-G316 CarbonylContact O-C 3.55Å; F310-G316 WeakPolarHBondContact O-CA 3.22Å; F310-V317 HydrophobicContact CB-CB 4.27Å; F310-V317 HydrophobicContact CB-CG2 4.27Å; F310-V317 HydrophobicContact CD1-CG2 4.33Å; F310-V317 PolarHBondContact N-O 3.5Å; F310-V317 PolarHBondContact O-N 3.01Å; F310-T420 HydrophobicContact CB-CG2 4.04Å; F310-Q422 HydrophobicContact CD2-CG 4.14Å; F310-Q422 HydrophobicContact CE2-CG 4.34Å |
| 311 | L | 92.8 | Very high | 91 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 132.4 | -178.8 | -171.2 | 66.1 | 0 | 0 | 0 | 110.7 | L308 L351 T352 L355 V357 Q422 | L308-L311 HydrophobicContact CD1-CD1 4.48Å; L308-L311 HydrophobicContact CD2-CB 4.32Å; L308-L311 HydrophobicContact CD2-CD1 4.12Å; L308-L311 HydrophobicContact CD2-CD2 4.18Å; L308-L311 HydrophobicContact CD2-CG 4.45Å; L311-L351 HydrophobicContact CD1-CB 3.85Å; L311-L351 HydrophobicContact CD1-CD1 4.36Å; L311-T352 HydrophobicContact CD2-CG2 4.23Å; L311-T352 HydrophobicContact CG-CG2 4.02Å; L311-L355 HydrophobicContact CD1-CB 4.48Å; L311-L355 HydrophobicContact CD1-CD1 4.47Å; L311-L355 HydrophobicContact CD2-CB 3.7Å; L311-L355 WeakPolarHBondContact CD2-O 3.49Å; L311-V357 HydrophobicContact CB-CG2 3.97Å; L311-Q422 PolarHBondContact O-NE2 3.34Å; L311-Q422 PolarHBondContact O-OE1 3.02Å; L311-Q422 VanDerWaalsContact O-OE1 3.14Å |
| 312 | V | 88.3 | Confident | 90.3 | Very high | 30 Ų | 30 | 20.8 Ų | 20.8 | 18% | 0.182 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 169.3 | 167.4 | -72.1 | 0 | 0 | 0 | 0 | 108.3 | F310 D314 A315 T352 | F310-V312 HydrophobicContact CE1-CB 4.38Å; F310-V312 HydrophobicContact CE1-CG1 3.49Å; F310-V312 VanDerWaalsContact CE1-CG1 3.49Å; F310-V312 HydrophobicContact CE1-CG2 4.14Å; F310-V312 HydrophobicContact CE2-CG1 4.29Å; F310-V312 HydrophobicContact CZ-CG1 3.32Å; V312-D314 PolarHBondContact O-N 3.46Å; V312-D314 VanDerWaalsContact O-N 3.15Å; V312-A315 HydrophobicContact CG2-CB 3.87Å; V312-A315 VanDerWaalsContact CG2-O 3.29Å; V312-A315 WeakPolarHBondContact CG2-O 3.38Å; V312-A315 PolarHBondContact N-O 2.89Å; V312-A315 PolarHBondContact O-N 2.68Å; V312-T352 VanDerWaalsContact C-CG2 3.45Å |
| 313 | P | 90.1 | Very high | 89.2 | Confident | 57 Ų | 57 | 23.1 Ų | 23.1 | 37% | 0.37 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -40.2 | -176.1 | -32.6 | 38.8 | 0 | 0 | 0 | 114.5 | D350 L351 T352 | P313-D350 VanDerWaalsContact CA-OD1 3.25Å; P313-D350 WeakPolarHBondContact CA-OD1 3.2Å; P313-D350 HydrophobicContact CB-CB 4.21Å; P313-D350 WeakPolarHBondContact CB-OD1 3.35Å; P313-D350 CarbonylContact O-C 3.52Å; P313-D350 WeakPolarHBondContact O-CA 3.17Å; P313-L351 WeakPolarHBondContact O-CB 3.48Å; P313-L351 WeakPolarHBondContact O-CG 3.48Å; P313-L351 PolarHBondContact O-N 3.03Å; P313-T352 HydrophobicContact CG-CG2 4.21Å |
| 314 | D | 87.7 | Confident | 87.9 | Confident | 59 Ų | 59 | 24.9 Ų | 24.9 | 32% | 0.316 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -4.3 | -172.7 | -61.3 | -36.4 | 0 | 0 | 0 | 114.2 | V312 N339 A340 | V312-D314 PolarHBondContact O-N 3.46Å; V312-D314 VanDerWaalsContact O-N 3.15Å; D314-N339 CarbonylContact O-C 3.45Å; D314-N339 WeakPolarHBondContact O-CA 3.45Å; D314-N339 WeakPolarHBondContact O-CB 3.42Å; D314-A340 PolarHBondContact O-N 3.08Å |
| 315 | A | 88.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 163 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V312 F338 F827 | V312-A315 HydrophobicContact CG2-CB 3.87Å; V312-A315 VanDerWaalsContact CG2-O 3.29Å; V312-A315 WeakPolarHBondContact CG2-O 3.38Å; V312-A315 PolarHBondContact N-O 2.89Å; V312-A315 PolarHBondContact O-N 2.68Å; A315-F338 CarbonylContact C-O 3.55Å; A315-F338 VanDerWaalsContact CA-O 3.26Å; A315-F338 WeakPolarHBondContact CA-O 3.46Å; A315-F338 WeakPolarHBondContact CB-O 3.31Å; A315-F827 HydrophobicContact CB-CD1 3.94Å; A315-F827 HydrophobicContact CB-CD2 3.88Å; A315-F827 HydrophobicContact CB-CE1 3.96Å; A315-F827 HydrophobicContact CB-CE2 3.94Å; A315-F827 HydrophobicContact CB-CG 3.91Å; A315-F827 HydrophobicContact CB-CZ 3.96Å |
| 316 | G | 91.6 | Very high | 85.2 | Confident | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 167 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F310 F338 | F310-G316 CarbonylContact O-C 3.55Å; F310-G316 WeakPolarHBondContact O-CA 3.22Å; G316-F338 PolarHBondContact N-O 2.89Å; G316-F338 VanDerWaalsContact O-CD1 3.22Å; G316-F338 WeakPolarHBondContact O-CD1 3.46Å; G316-F338 PolarHBondContact O-N 3.18Å |
| 317 | V | 92 | Very high | 84 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.6 | 179.4 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | I22 L23 L309 F310 F335 V336 | I22-V317 HydrophobicContact CG2-CG1 4.12Å; L23-V317 HydrophobicContact CD1-CG2 3.51Å; L23-V317 HydrophobicContact CD2-CG1 4.21Å; L23-V317 HydrophobicContact CD2-CG2 3.73Å; L23-V317 HydrophobicContact CG-CG2 3.94Å; L309-V317 PolarHBondContact N-O 3.36Å; F310-V317 HydrophobicContact CB-CB 4.27Å; F310-V317 HydrophobicContact CB-CG2 4.27Å; F310-V317 HydrophobicContact CD1-CG2 4.33Å; F310-V317 PolarHBondContact N-O 3.5Å; F310-V317 PolarHBondContact O-N 3.01Å; V317-F335 HydrophobicContact CG1-CB 4.33Å; V317-F335 HydrophobicContact CG1-CD1 4.18Å; V317-V336 CarbonylContact C-O 3.48Å; V317-V336 WeakPolarHBondContact CA-O 3.2Å |
| 318 | L | 94.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 146.2 | 171.5 | -49.8 | 173.7 | 0 | 0 | 0 | 110.4 | L307 L308 F335 V336 F338 L361 F363 V386 | L307-L318 CarbonylContact O-C 3.59Å; L307-L318 VanDerWaalsContact O-CA 3.26Å; L307-L318 WeakPolarHBondContact O-CA 3.43Å; L308-L318 HydrophobicContact CB-CD2 3.84Å; L308-L318 HydrophobicContact CD1-CD2 3.74Å; L308-L318 HydrophobicContact CG-CD2 4.39Å; L318-F335 CarbonylContact O-C 3.51Å; L318-F335 VanDerWaalsContact O-CA 3.25Å; L318-F335 WeakPolarHBondContact O-CA 3.47Å; L318-V336 HydrophobicContact CB-CB 4.1Å; L318-V336 HydrophobicContact CD1-CB 4.49Å; L318-V336 PolarHBondContact N-O 2.84Å; L318-V336 PolarHBondContact O-N 2.78Å; L318-F338 HydrophobicContact CD1-CD1 4.47Å; L318-F338 HydrophobicContact CD1-CE1 4.48Å; L318-F338 HydrophobicContact CD2-CE1 3.97Å; L318-F338 HydrophobicContact CG-CD1 4.14Å; L318-F338 HydrophobicContact CG-CE1 3.91Å; L318-L361 HydrophobicContact CD1-CB 4.39Å; L318-L361 HydrophobicContact CD2-CB 4.26Å; L318-L361 HydrophobicContact CD2-CD1 4.2Å; L318-F363 HydrophobicContact CD1-CB 4.06Å; L318-F363 HydrophobicContact CD1-CD1 3.87Å; L318-F363 HydrophobicContact CD1-CG 4.29Å; L318-V386 HydrophobicContact CD1-CG1 4.39Å |
| 319 | L | 92.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.2 | 157.9 | 174.3 | 64.7 | 0 | 0 | 0 | 107.9 | G306 L307 L309 I321 F325 L333 F335 A408 | G306-L319 CarbonylContact C-O 3.6Å; G306-L319 WeakPolarHBondContact CA-O 3.41Å; L307-L319 PolarHBondContact N-O 3.27Å; L307-L319 PolarHBondContact O-N 3.26Å; L309-L319 HydrophobicContact CD1-CB 3.73Å; L309-L319 HydrophobicContact CD2-CB 3.92Å; L309-L319 HydrophobicContact CD2-CD2 4.47Å; L309-L319 HydrophobicContact CG-CB 3.87Å; L319-I321 PolarHBondContact O-N 2.95Å; L319-F325 HydrophobicContact CD2-CZ 4.41Å; L319-L333 HydrophobicContact CD1-CB 4.32Å; L319-L333 HydrophobicContact CD1-CD2 4.42Å; L319-F335 HydrophobicContact CD1-CD1 4.38Å; L319-F335 HydrophobicContact CD1-CE1 4.19Å; L319-A408 HydrophobicContact CD2-CB 4.13Å |
| 320 | R | 91.8 | Very high | 80.3 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 139.9 | 177.4 | -169.8 | 177.5 | -169.2 | -177.9 | 2.1 | 110.3 | V302 S303 I305 Y327 E334 F363 | V302-R320 VanDerWaalsContact CG1-NH1 3.28Å; S303-R320 PolarHBondContact O-NH2 2.62Å; I305-R320 CarbonylContact O-C 3.58Å; I305-R320 WeakPolarHBondContact O-CA 3.5Å; R320-Y327 PolarHBondContact O-OH 3.3Å; R320-E334 HydrophobicContact CB-CB 3.93Å; R320-E334 WeakPolarHBondContact CD-OE2 3.32Å; R320-E334 IonicContact CZ-OE2 2.7Å; R320-E334 PolarHBondContact N-O 3.47Å; R320-E334 IonicContact NE-OE2 3.86Å; R320-E334 IonicContact NH1-OE1 3.58Å; R320-E334 IonicContact NH1-OE2 3.66Å; R320-E334 PolarHBondContact NH1-OE2 2.88Å; R320-F363 HydrophobicContact CB-CE1 4.34Å; R320-F363 HydrophobicContact CB-CZ 4.21Å; R320-F363 HydrophobicContact CG-CE1 4.05Å; R320-F363 HydrophobicContact CG-CZ 3.79Å |
| 321 | I | 87.1 | Confident | 79.7 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.2 | 173.4 | -61 | -180 | 0 | 0 | 0 | 106.4 | I305 L307 L319 F325 V360 P398 I404 | I305-I321 HydrophobicContact CG2-CD1 4.3Å; I305-I321 PolarHBondContact O-N 3.29Å; L307-I321 HydrophobicContact CB-CD1 4.14Å; L307-I321 HydrophobicContact CB-CG1 4.32Å; L319-I321 PolarHBondContact O-N 2.95Å; I321-F325 HydrophobicContact CB-CD2 3.83Å; I321-F325 HydrophobicContact CB-CE2 4.17Å; I321-F325 HydrophobicContact CG1-CD2 3.76Å; I321-F325 HydrophobicContact CG1-CE2 3.66Å; I321-F325 HydrophobicContact CG2-CB 4.11Å; I321-F325 HydrophobicContact CG2-CD2 3.46Å; I321-F325 VanDerWaalsContact CG2-CD2 3.46Å; I321-F325 HydrophobicContact CG2-CE2 4.26Å; I321-F325 HydrophobicContact CG2-CG 4.15Å; I321-V360 HydrophobicContact CD1-CG1 4.05Å; I321-V360 HydrophobicContact CD1-CG2 3.73Å; I321-P398 HydrophobicContact CD1-CG 4.37Å; I321-P398 HydrophobicContact CG2-CG 3.89Å; I321-I404 HydrophobicContact CD1-CG2 4.4Å |
| 322 | S | 70.4 | Confident | 79.1 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 38% | 0.378 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -100 | 120.9 | 175 | -66.3 | 0 | 0 | 0 | 0 | 110 | S324 F325 | S322-S324 PolarHBondContact O-N 3.04Å; S322-F325 VanDerWaalsContact O-CA 3.31Å; S322-F325 WeakPolarHBondContact O-CA 3.21Å; S322-F325 PolarHBondContact O-N 3.05Å |
| 323 | G | 65.4 | Low | 79 | Confident | 71 Ų | 71 | 44 Ų | 44 | 73% | 0.732 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.9 | -118 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F325 | G323-F325 PolarHBondContact O-N 2.9Š|
| 324 | S | 62.8 | Low | 79 | Confident | 97 Ų | 97 | 43.5 Ų | 43.5 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 8.7 | 178.8 | 50.7 | 0 | 0 | 0 | 0 | 115.6 | S322 V326 | S322-S324 PolarHBondContact O-N 3.04Å; S324-V326 WeakPolarHBondContact O-CG2 3.25Å; S324-V326 PolarHBondContact O-N 2.62Å; S324-V326 WeakPolarHBondContact OG-CG2 3.37Å |
| 325 | F | 67.2 | Low | 79.1 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 42.1 | -169.3 | -161.9 | -111.6 | 0 | 0 | 0 | 112.5 | L319 I321 S322 G323 Y327 I404 K407 A408 | L319-F325 HydrophobicContact CD2-CZ 4.41Å; I321-F325 HydrophobicContact CB-CD2 3.83Å; I321-F325 HydrophobicContact CB-CE2 4.17Å; I321-F325 HydrophobicContact CG1-CD2 3.76Å; I321-F325 HydrophobicContact CG1-CE2 3.66Å; I321-F325 HydrophobicContact CG2-CB 4.11Å; I321-F325 HydrophobicContact CG2-CD2 3.46Å; I321-F325 VanDerWaalsContact CG2-CD2 3.46Å; I321-F325 HydrophobicContact CG2-CE2 4.26Å; I321-F325 HydrophobicContact CG2-CG 4.15Å; S322-F325 VanDerWaalsContact O-CA 3.31Å; S322-F325 WeakPolarHBondContact O-CA 3.21Å; S322-F325 PolarHBondContact O-N 3.05Å; G323-F325 PolarHBondContact O-N 2.9Å; F325-Y327 HydrophobicContact CE2-CE2 4.2Å; F325-I404 HydrophobicContact CD1-CB 4.16Å; F325-I404 HydrophobicContact CD1-CG1 4.37Å; F325-I404 HydrophobicContact CD1-CG2 3.61Å; F325-I404 HydrophobicContact CD2-CG2 4.26Å; F325-I404 HydrophobicContact CE1-CB 4.06Å; F325-I404 HydrophobicContact CE1-CG2 3.27Å; F325-I404 VanDerWaalsContact CE1-O 3.27Å; F325-I404 WeakPolarHBondContact CE1-O 3.28Å; F325-I404 HydrophobicContact CE2-CG2 3.95Å; F325-I404 HydrophobicContact CG-CG2 4.09Å; F325-I404 HydrophobicContact CZ-CG2 3.44Å; F325-I404 VanDerWaalsContact CZ-CG2 3.44Å; F325-K407 HydrophobicContact CD1-CB 4.16Å; F325-K407 HydrophobicContact CD1-CD 4.14Å; F325-K407 HydrophobicContact CE1-CB 3.81Å; F325-A408 HydrophobicContact CZ-CB 4.2Å |
| 326 | V | 60.1 | Low | 79.2 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | trans | -112 | 98.9 | 177.5 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | S324 | S324-V326 WeakPolarHBondContact O-CG2 3.25Å; S324-V326 PolarHBondContact O-N 2.62Å; S324-V326 WeakPolarHBondContact OG-CG2 3.37Å | ||
| 327 | Y | 68.6 | Low | 79.2 | Confident | 23 Ų | 23 | 41 Ų | 41 | 9% | 0.09 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 119.8 | 162.1 | -76.9 | -89.6 | 0 | 0 | 0 | 108.4 | R320 F325 D331 L333 L411 | R320-Y327 PolarHBondContact O-OH 3.3Å; F325-Y327 HydrophobicContact CE2-CE2 4.2Å; Y327-D331 WeakPolarHBondContact CA-OD2 3.46Å; Y327-D331 HydrophobicContact CD1-CB 3.74Å; Y327-L333 HydrophobicContact CD1-CD2 3.66Å; Y327-L333 HydrophobicContact CD2-CD2 4.49Å; Y327-L333 HydrophobicContact CE1-CD2 3.77Å; Y327-L333 HydrophobicContact CG-CD2 4.05Å; Y327-L411 HydrophobicContact CD2-CD1 3.59Å; Y327-L411 HydrophobicContact CG-CD1 3.97Å |
| 328 | A | 69.8 | Low | 79.2 | Confident | 45 Ų | 45 | 41 Ų | 41 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 154.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G330 D331 | A328-G330 PolarHBondContact O-N 2.74Å; A328-G330 VanDerWaalsContact O-N 3.15Å; A328-D331 PolarHBondContact N-OD2 3.23Å; A328-D331 VanDerWaalsContact O-CB 3.31Å; A328-D331 WeakPolarHBondContact O-CB 3.39Å; A328-D331 PolarHBondContact O-N 2.72Å |
| 329 | P | 67.5 | Low | 79 | Confident | 132 Ų | 132 | 42.6 Ų | 42.6 | 86% | 0.857 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 121.9 | 170.6 | -22 | 32.8 | 0 | 0 | 0 | 110.6 | ||
| 330 | G | 67.7 | Low | 78.8 | Confident | 78 Ų | 78 | 43.3 Ų | 43.3 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | -9.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A328 T332 | A328-G330 PolarHBondContact O-N 2.74Å; A328-G330 VanDerWaalsContact O-N 3.15Å; G330-T332 PolarHBondContact O-N 2.96Å |
| 331 | D | 78.4 | Confident | 78.8 | Confident | 82 Ų | 82 | 45 Ų | 45 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 138.5 | 171 | -74.6 | -5.7 | 0 | 0 | 0 | 110.1 | Y327 A328 L333 | Y327-D331 WeakPolarHBondContact CA-OD2 3.46Å; Y327-D331 HydrophobicContact CD1-CB 3.74Å; A328-D331 PolarHBondContact N-OD2 3.23Å; A328-D331 VanDerWaalsContact O-CB 3.31Å; A328-D331 WeakPolarHBondContact O-CB 3.39Å; A328-D331 PolarHBondContact O-N 2.72Å; D331-L333 PolarHBondContact O-N 3.1Å |
| 332 | T | 80 | Confident | 79 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 120.4 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | G330 S377 V379 | G330-T332 PolarHBondContact O-N 2.96Å; T332-S377 WeakPolarHBondContact CG2-O 3.32Å; T332-S377 PolarHBondContact OG1-OG 2.88Å; T332-V379 HydrophobicContact CG2-CG2 3.77Å |
| 333 | L | 86.2 | Confident | 80.2 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.7 | 174.1 | -60.9 | -176.3 | 0 | 0 | 0 | 109.5 | L319 Y327 D331 F335 Y378 V379 L412 F417 | L319-L333 HydrophobicContact CD1-CB 4.32Å; L319-L333 HydrophobicContact CD1-CD2 4.42Å; Y327-L333 HydrophobicContact CD1-CD2 3.66Å; Y327-L333 HydrophobicContact CD2-CD2 4.49Å; Y327-L333 HydrophobicContact CE1-CD2 3.77Å; Y327-L333 HydrophobicContact CG-CD2 4.05Å; D331-L333 PolarHBondContact O-N 3.1Å; L333-F335 HydrophobicContact CB-CE2 3.89Å; L333-F335 HydrophobicContact CB-CZ 4.22Å; L333-F335 HydrophobicContact CD1-CE2 4.46Å; L333-F335 HydrophobicContact CD1-CZ 4.15Å; L333-Y378 CarbonylContact O-C 3.51Å; L333-Y378 WeakPolarHBondContact O-CA 3.23Å; L333-Y378 VanDerWaalsContact O-CB 3.32Å; L333-Y378 WeakPolarHBondContact O-CB 3.26Å; L333-V379 PolarHBondContact O-N 2.78Å; L333-L412 HydrophobicContact CD1-CD2 4.13Å; L333-F417 HydrophobicContact CD1-CD2 3.74Å; L333-F417 HydrophobicContact CD1-CE2 3.8Å |
| 334 | E | 88.8 | Confident | 81.6 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 107.3 | 179.9 | -62.9 | -174.8 | -174.3 | 0 | 0 | 108.9 | R320 V379 H381 | R320-E334 HydrophobicContact CB-CB 3.93Å; R320-E334 WeakPolarHBondContact CD-OE2 3.32Å; R320-E334 IonicContact CZ-OE2 2.7Å; R320-E334 PolarHBondContact N-O 3.47Å; R320-E334 IonicContact NE-OE2 3.86Å; R320-E334 IonicContact NH1-OE1 3.58Å; R320-E334 IonicContact NH1-OE2 3.66Å; R320-E334 PolarHBondContact NH1-OE2 2.88Å; E334-V379 CarbonylContact C-O 3.58Å; E334-V379 WeakPolarHBondContact CA-O 3.36Å; E334-V379 HydrophobicContact CG-CB 4.27Å; E334-H381 IonicContact OE2-NE2 3.88Å |
| 335 | F | 90 | Very high | 83.1 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 148.4 | 174 | -60.8 | -81.4 | 0 | 0 | 0 | 109.6 | I22 L309 V317 L318 L319 L333 Y378 V379 D380 H381 L412 F417 | I22-F335 HydrophobicContact CD1-CE1 4.16Å; I22-F335 HydrophobicContact CG1-CE1 4.29Å; I22-F335 HydrophobicContact CG1-CZ 4.37Å; I22-F335 HydrophobicContact CG2-CB 4.19Å; I22-F335 HydrophobicContact CG2-CD1 3.49Å; I22-F335 VanDerWaalsContact CG2-CD1 3.49Å; I22-F335 HydrophobicContact CG2-CD2 4Å; I22-F335 HydrophobicContact CG2-CE1 3.75Å; I22-F335 HydrophobicContact CG2-CE2 4.24Å; I22-F335 HydrophobicContact CG2-CG 3.61Å; I22-F335 HydrophobicContact CG2-CZ 4.11Å; L309-F335 HydrophobicContact CD1-CD1 4.02Å; L309-F335 HydrophobicContact CD1-CE1 3.69Å; V317-F335 HydrophobicContact CG1-CB 4.33Å; V317-F335 HydrophobicContact CG1-CD1 4.18Å; L318-F335 CarbonylContact O-C 3.51Å; L318-F335 VanDerWaalsContact O-CA 3.25Å; L318-F335 WeakPolarHBondContact O-CA 3.47Å; L319-F335 HydrophobicContact CD1-CD1 4.38Å; L319-F335 HydrophobicContact CD1-CE1 4.19Å; L333-F335 HydrophobicContact CB-CE2 3.89Å; L333-F335 HydrophobicContact CB-CZ 4.22Å; L333-F335 HydrophobicContact CD1-CE2 4.46Å; L333-F335 HydrophobicContact CD1-CZ 4.15Å; F335-Y378 AromaticContact CD2-CD2 3.76Å; F335-Y378 HydrophobicContact CD2-CD2 3.76Å; F335-Y378 HydrophobicContact CD2-CE2 4.44Å; F335-Y378 HydrophobicContact CD2-CG 4.26Å; F335-Y378 HydrophobicContact CE2-CD2 4.13Å; F335-Y378 HydrophobicContact CE2-CG 4.21Å; F335-V379 PolarHBondContact N-O 3.36Å; F335-D380 CarbonylContact O-C 3.47Å; F335-H381 PolarHBondContact O-N 3.32Å; F335-L412 HydrophobicContact CE1-CD2 3.81Å; F335-L412 HydrophobicContact CZ-CD2 3.65Å; F335-F417 HydrophobicContact CE2-CD1 4.33Å; F335-F417 AromaticContact CE2-CE1 3.8Å; F335-F417 HydrophobicContact CE2-CE1 3.8Å; F335-F417 HydrophobicContact CE2-CE2 4.23Å; F335-F417 AromaticContact CE2-CZ 3.73Å; F335-F417 HydrophobicContact CE2-CZ 3.73Å; F335-F417 HydrophobicContact CZ-CD1 4.11Å; F335-F417 HydrophobicContact CZ-CD2 4.46Å; F335-F417 HydrophobicContact CZ-CE1 4.06Å; F335-F417 HydrophobicContact CZ-CE2 4.42Å; F335-F417 HydrophobicContact CZ-CG 4.3Å; F335-F417 HydrophobicContact CZ-CZ 4.2Å |
| 336 | V | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 116.4 | 175.3 | -167.5 | 0 | 0 | 0 | 0 | 108.7 | V317 L318 F363 A365 H381 A383 | V317-V336 CarbonylContact C-O 3.48Å; V317-V336 WeakPolarHBondContact CA-O 3.2Å; L318-V336 HydrophobicContact CB-CB 4.1Å; L318-V336 HydrophobicContact CD1-CB 4.49Å; L318-V336 PolarHBondContact N-O 2.84Å; L318-V336 PolarHBondContact O-N 2.78Å; V336-F363 HydrophobicContact CB-CD2 4.49Å; V336-F363 HydrophobicContact CB-CG 4.49Å; V336-F363 HydrophobicContact CG1-CB 4.37Å; V336-F363 HydrophobicContact CG1-CD2 3.9Å; V336-F363 HydrophobicContact CG1-CE2 4.36Å; V336-F363 HydrophobicContact CG1-CG 4.05Å; V336-F363 HydrophobicContact CG2-CD1 4.05Å; V336-F363 HydrophobicContact CG2-CD2 3.94Å; V336-F363 HydrophobicContact CG2-CE1 3.73Å; V336-F363 HydrophobicContact CG2-CE2 3.63Å; V336-F363 HydrophobicContact CG2-CG 4.15Å; V336-F363 HydrophobicContact CG2-CZ 3.52Å; V336-A365 HydrophobicContact CG1-CB 3.96Å; V336-H381 CarbonylContact C-O 3.55Å; V336-H381 VanDerWaalsContact CA-O 3.31Å; V336-H381 WeakPolarHBondContact CA-O 3.26Å; V336-H381 HydrophobicContact CB-CB 4.35Å; V336-H381 HydrophobicContact CG1-CB 4.1Å; V336-H381 HydrophobicContact CG2-CB 4.12Å; V336-A383 HydrophobicContact CG1-CB 3.93Å |
| 337 | V | 90.4 | Very high | 85.9 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.1 | 178 | -167.8 | 0 | 0 | 0 | 0 | 108.6 | L23 H381 A383 F827 | L23-V337 HydrophobicContact CD2-CG1 4.47Å; L23-V337 HydrophobicContact CD2-CG2 3.41Å; L23-V337 VanDerWaalsContact CD2-CG2 3.41Å; V337-H381 PolarHBondContact N-O 3.3Å; V337-A383 WeakPolarHBondContact O-CB 3.46Å; V337-A383 PolarHBondContact O-N 2.92Å; V337-F827 HydrophobicContact CG1-CD1 4.38Å; V337-F827 HydrophobicContact CG1-CE1 3.84Å |
| 338 | F | 92.3 | Very high | 87 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.8 | 175 | 71.5 | -83 | 0 | 0 | 0 | 110.5 | L308 A315 G316 L318 F343 L351 L355 L361 A383 V386 | L308-F338 HydrophobicContact CD1-CE1 3.75Å; L308-F338 HydrophobicContact CD1-CZ 3.91Å; A315-F338 CarbonylContact C-O 3.55Å; A315-F338 VanDerWaalsContact CA-O 3.26Å; A315-F338 WeakPolarHBondContact CA-O 3.46Å; A315-F338 WeakPolarHBondContact CB-O 3.31Å; G316-F338 PolarHBondContact N-O 2.89Å; G316-F338 VanDerWaalsContact O-CD1 3.22Å; G316-F338 WeakPolarHBondContact O-CD1 3.46Å; G316-F338 PolarHBondContact O-N 3.18Å; L318-F338 HydrophobicContact CD1-CD1 4.47Å; L318-F338 HydrophobicContact CD1-CE1 4.48Å; L318-F338 HydrophobicContact CD2-CE1 3.97Å; L318-F338 HydrophobicContact CG-CD1 4.14Å; L318-F338 HydrophobicContact CG-CE1 3.91Å; F338-F343 HydrophobicContact CE2-CD2 4.46Å; F338-L351 HydrophobicContact CD2-CD1 4.41Å; F338-L351 HydrophobicContact CE2-CD1 3.85Å; F338-L355 HydrophobicContact CE2-CD1 4.46Å; F338-L355 HydrophobicContact CZ-CD1 4.4Å; F338-L361 HydrophobicContact CZ-CD1 4.47Å; F338-A383 HydrophobicContact CB-CB 3.57Å; F338-V386 HydrophobicContact CB-CB 4.46Å; F338-V386 HydrophobicContact CB-CG2 3.48Å; F338-V386 VanDerWaalsContact CB-CG2 3.48Å; F338-V386 HydrophobicContact CD1-CG2 4.01Å; F338-V386 HydrophobicContact CD2-CB 4.1Å; F338-V386 HydrophobicContact CD2-CG1 4.29Å; F338-V386 HydrophobicContact CD2-CG2 3.95Å; F338-V386 HydrophobicContact CE2-CG1 4.27Å; F338-V386 HydrophobicContact CG-CB 4.21Å; F338-V386 HydrophobicContact CG-CG1 4.45Å; F338-V386 HydrophobicContact CG-CG2 3.56Å; F338-V386 HydrophobicContact CZ-CG1 4.43Å |
| 339 | N | 89.2 | Confident | 87.9 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 171.2 | 176 | 65.3 | 17.5 | 0 | 0 | 0 | 110.5 | D314 T341 T342 F343 F827 | D314-N339 CarbonylContact O-C 3.45Å; D314-N339 WeakPolarHBondContact O-CA 3.45Å; D314-N339 WeakPolarHBondContact O-CB 3.42Å; N339-T341 VanDerWaalsContact CG-OG1 3.25Å; N339-T341 PolarHBondContact ND2-OG1 3.35Å; N339-T341 PolarHBondContact O-N 3.24Å; N339-T341 PolarHBondContact OD1-N 3.22Å; N339-T341 PolarHBondContact OD1-OG1 3.09Å; N339-T342 PolarHBondContact N-OG1 2.86Å; N339-T342 PolarHBondContact O-N 3.25Å; N339-T342 VanDerWaalsContact O-N 3.1Å; N339-T342 PolarHBondContact O-OG1 3.21Å; N339-T342 WeakPolarHBondContact OD1-CB 3.34Å; N339-T342 WeakPolarHBondContact OD1-CG2 3.19Å; N339-T342 PolarHBondContact OD1-N 2.91Å; N339-T342 PolarHBondContact OD1-OG1 3.01Å; N339-F343 PolarHBondContact O-N 3.04Å; N339-F827 HydrophobicContact CB-CB 4.29Å; N339-F827 PolarHBondContact ND2-O 3.14Å |
| 340 | A | 90.3 | Very high | 89.1 | Confident | 15 Ų | 15 | 38 Ų | 38 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -58.1 | -34.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D314 T342 F343 L351 | D314-A340 PolarHBondContact O-N 3.08Å; A340-T342 VanDerWaalsContact C-N 3.27Å; A340-T342 PolarHBondContact O-N 3.22Å; A340-F343 VanDerWaalsContact O-CB 3.26Å; A340-F343 WeakPolarHBondContact O-CB 3.36Å; A340-F343 PolarHBondContact O-N 3.08Å; A340-F343 VanDerWaalsContact O-N 3.12Å; A340-L351 HydrophobicContact CB-CD1 4.27Å; A340-L351 HydrophobicContact CB-CD2 4.46Å; A340-L351 HydrophobicContact CB-CG 4.15Å |
| 341 | T | 90.2 | Very high | 90.4 | Very high | 94 Ų | 94 | 34.3 Ų | 34.3 | 58% | 0.577 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -70.5 | -19.9 | 179.2 | 70.1 | 0 | 0 | 0 | 0 | 114.3 | N339 Q346 | N339-T341 VanDerWaalsContact CG-OG1 3.25Å; N339-T341 PolarHBondContact ND2-OG1 3.35Å; N339-T341 PolarHBondContact O-N 3.24Å; N339-T341 PolarHBondContact OD1-N 3.22Å; N339-T341 PolarHBondContact OD1-OG1 3.09Å; T341-Q346 PolarHBondContact O-NE2 3.49Å; T341-Q346 PolarHBondContact O-OE1 2.73Å |
| 342 | T | 92.6 | Very high | 91.1 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -96.6 | -0.6 | 175.5 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | N339 A340 A383 L385 V386 | N339-T342 PolarHBondContact N-OG1 2.86Å; N339-T342 PolarHBondContact O-N 3.25Å; N339-T342 VanDerWaalsContact O-N 3.1Å; N339-T342 PolarHBondContact O-OG1 3.21Å; N339-T342 WeakPolarHBondContact OD1-CB 3.34Å; N339-T342 WeakPolarHBondContact OD1-CG2 3.19Å; N339-T342 PolarHBondContact OD1-N 2.91Å; N339-T342 PolarHBondContact OD1-OG1 3.01Å; A340-T342 VanDerWaalsContact C-N 3.27Å; A340-T342 PolarHBondContact O-N 3.22Å; T342-A383 WeakPolarHBondContact CG2-O 3.22Å; T342-L385 CarbonylContact O-C 3.01Å; T342-L385 VanDerWaalsContact O-CA 3.28Å; T342-L385 WeakPolarHBondContact O-CA 3.44Å; T342-V386 PolarHBondContact O-N 2.76Å |
| 343 | F | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -79.1 | 145.7 | 174.1 | -165.5 | -119.5 | 0 | 0 | 0 | 111.3 | F338 N339 A340 D345 Q346 V348 L351 V354 L355 V386 F570 | F338-F343 HydrophobicContact CE2-CD2 4.46Å; N339-F343 PolarHBondContact O-N 3.04Å; A340-F343 VanDerWaalsContact O-CB 3.26Å; A340-F343 WeakPolarHBondContact O-CB 3.36Å; A340-F343 PolarHBondContact O-N 3.08Å; A340-F343 VanDerWaalsContact O-N 3.12Å; F343-D345 HydrophobicContact CD1-CB 4.4Å; F343-D345 HydrophobicContact CE1-CB 4.45Å; F343-D345 PolarHBondContact O-N 3.24Å; F343-D345 VanDerWaalsContact O-N 3.16Å; F343-Q346 PolarHBondContact O-NE2 3.22Å; F343-V348 HydrophobicContact CD1-CB 4.42Å; F343-V348 HydrophobicContact CD1-CG2 4.25Å; F343-V348 HydrophobicContact CE1-CG2 4.22Å; F343-L351 HydrophobicContact CB-CD2 3.91Å; F343-L351 HydrophobicContact CD1-CD2 3.73Å; F343-L351 HydrophobicContact CD2-CD2 4.25Å; F343-L351 HydrophobicContact CE1-CD2 4.26Å; F343-L351 HydrophobicContact CG-CD2 3.71Å; F343-V354 HydrophobicContact CE1-CG2 4.42Å; F343-L355 HydrophobicContact CD2-CD1 4.41Å; F343-L355 HydrophobicContact CE2-CD1 3.74Å; F343-L355 HydrophobicContact CE2-CD2 4.38Å; F343-L355 HydrophobicContact CE2-CG 4.42Å; F343-L355 HydrophobicContact CZ-CD1 3.86Å; F343-L355 HydrophobicContact CZ-CD2 4.03Å; F343-L355 HydrophobicContact CZ-CG 4.08Å; F343-V386 CarbonylContact C-O 3.51Å; F343-V386 HydrophobicContact CD2-CB 4.13Å; F343-V386 HydrophobicContact CD2-CG1 4.07Å; F343-V386 WeakPolarHBondContact CD2-O 3.3Å; F343-V386 HydrophobicContact CE2-CG1 4.25Å; F343-F570 AromaticContact CE1-CD1 3.9Å; F343-F570 HydrophobicContact CE1-CD1 3.9Å; F343-F570 AromaticContact CE1-CE1 3.33Å; F343-F570 HydrophobicContact CE1-CE1 3.33Å; F343-F570 HydrophobicContact CE1-CZ 4.15Å; F343-F570 HydrophobicContact CZ-CD1 4.34Å; F343-F570 AromaticContact CZ-CE1 3.35Å; F343-F570 HydrophobicContact CZ-CE1 3.35Å; F343-F570 AromaticContact CZ-CZ 3.88Å; F343-F570 HydrophobicContact CZ-CZ 3.88Å |
| 344 | C | 94.2 | Very high | 92 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -63.6 | -25.7 | -171.3 | 63 | 0 | 0 | 0 | 0 | 114.8 | L385 V386 | C344-L385 HydrophobicContact CB-CD1 4.19Å; C344-V386 WeakPolarHBondContact CB-O 3.31Å; C344-V386 PolarHBondContact N-O 3.01Å |
| 345 | D | 93.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | trans | -105.5 | 100.7 | 175.6 | -171.1 | -28.6 | 0 | 0 | 0 | 109.2 | F343 A347 V348 F570 E572 | F343-D345 HydrophobicContact CD1-CB 4.4Å; F343-D345 HydrophobicContact CE1-CB 4.45Å; F343-D345 PolarHBondContact O-N 3.24Å; F343-D345 VanDerWaalsContact O-N 3.16Å; D345-A347 PolarHBondContact O-N 3.11Å; D345-A347 WeakPolarHBondContact OD1-CB 3.45Å; D345-A347 PolarHBondContact OD1-N 3.1Å; D345-V348 HydrophobicContact CB-CG2 3.85Å; D345-V348 WeakPolarHBondContact O-CB 3.07Å; D345-V348 WeakPolarHBondContact O-CG2 3.27Å; D345-V348 PolarHBondContact O-N 3.35Å; D345-F570 HydrophobicContact CB-CD1 4Å; D345-F570 VanDerWaalsContact OD2-CB 3.3Å; D345-F570 WeakPolarHBondContact OD2-CB 3.45Å; D345-E572 WeakPolarHBondContact OD1-CG 3.3Å; D345-E572 WeakPolarHBondContact OD2-CB 3.43Å; D345-E572 PolarHBondContact OD2-N 2.97Å; D345-E572 VanDerWaalsContact OD2-N 3.09Å | ||
| 346 | Q | 92.2 | Very high | 92.5 | Very high | 125 Ų | 125 | 34.1 Ų | 34.1 | 58% | 0.584 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11.3 | -176.1 | -61.5 | -67.1 | -41.7 | 0 | 0 | 113.3 | T341 F343 V348 | T341-Q346 PolarHBondContact O-NE2 3.49Å; T341-Q346 PolarHBondContact O-OE1 2.73Å; F343-Q346 PolarHBondContact O-NE2 3.22Å; Q346-V348 VanDerWaalsContact C-N 3.3Å |
| 347 | A | 94.3 | Very high | 92.5 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -3.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D345 D349 P571 E572 | D345-A347 PolarHBondContact O-N 3.11Å; D345-A347 WeakPolarHBondContact OD1-CB 3.45Å; D345-A347 PolarHBondContact OD1-N 3.1Å; A347-D349 PolarHBondContact O-N 3.1Å; A347-P571 HydrophobicContact CB-CB 3.69Å; A347-P571 HydrophobicContact CB-CG 4.42Å; A347-P571 WeakPolarHBondContact O-CG 3.21Å; A347-E572 HydrophobicContact CB-CG 4.17Å |
| 348 | V | 92.5 | Very high | 92.6 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | trans | -74.1 | 109 | 170.4 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | F343 D345 Q346 L351 V354 F570 P571 | F343-V348 HydrophobicContact CD1-CB 4.42Å; F343-V348 HydrophobicContact CD1-CG2 4.25Å; F343-V348 HydrophobicContact CE1-CG2 4.22Å; D345-V348 HydrophobicContact CB-CG2 3.85Å; D345-V348 WeakPolarHBondContact O-CB 3.07Å; D345-V348 WeakPolarHBondContact O-CG2 3.27Å; D345-V348 PolarHBondContact O-N 3.35Å; Q346-V348 VanDerWaalsContact C-N 3.3Å; V348-L351 HydrophobicContact CG1-CD2 4.05Å; V348-V354 HydrophobicContact CG1-CG2 3.61Å; V348-V354 HydrophobicContact CG2-CG1 4.42Å; V348-V354 HydrophobicContact CG2-CG2 4.07Å; V348-F570 HydrophobicContact CG2-CD1 4.48Å; V348-P571 VanDerWaalsContact CG2-CD 3.5Å; V348-P571 HydrophobicContact CG2-CG 3.99Å | ||
| 349 | D | 88.3 | Confident | 92.6 | Very high | 107 Ų | 107 | 34.6 Ų | 34.6 | 57% | 0.572 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -84.5 | -19.7 | 176.8 | 67.3 | -22.3 | 0 | 0 | 0 | 113.5 | A347 K353 | A347-D349 PolarHBondContact O-N 3.1Å; D349-K353 IonicContact OD1-NZ 2.76Å; D349-K353 PolarHBondContact OD1-NZ 3.41Å; D349-K353 IonicContact OD2-NZ 3.25Å; D349-K353 PolarHBondContact OD2-NZ 3.29Å |
| 350 | D | 92.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 33 Ų | 33 | 17% | 0.166 | 19% | 0.189 | C | C | . | . | trans | -148.8 | 105.6 | -178.4 | 175.5 | -8.1 | 0 | 0 | 0 | 108.5 | P313 T352 K353 | P313-D350 VanDerWaalsContact CA-OD1 3.25Å; P313-D350 WeakPolarHBondContact CA-OD1 3.2Å; P313-D350 HydrophobicContact CB-CB 4.21Å; P313-D350 WeakPolarHBondContact CB-OD1 3.35Å; P313-D350 CarbonylContact O-C 3.52Å; P313-D350 WeakPolarHBondContact O-CA 3.17Å; D350-T352 PolarHBondContact O-N 3.01Å; D350-T352 WeakPolarHBondContact OD1-CA 3.08Å; D350-T352 VanDerWaalsContact OD1-CB 3.3Å; D350-T352 WeakPolarHBondContact OD1-CB 3.36Å; D350-T352 PolarHBondContact OD1-N 3.07Å; D350-T352 PolarHBondContact OD1-OG1 2.82Å; D350-T352 PolarHBondContact OD2-OG1 2.66Å; D350-K353 HydrophobicContact CB-CD 3.82Å; D350-K353 HydrophobicContact CB-CG 3.92Å; D350-K353 WeakPolarHBondContact O-CB 3.09Å; D350-K353 PolarHBondContact O-N 2.83Å; D350-K353 WeakPolarHBondContact OD2-CE 3.33Å | ||
| 351 | L | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -58.2 | -29.3 | -179 | -65.6 | 170.6 | 0 | 0 | 0 | 112.1 | L311 P313 F338 A340 F343 V348 K353 V354 L355 | L311-L351 HydrophobicContact CD1-CB 3.85Å; L311-L351 HydrophobicContact CD1-CD1 4.36Å; P313-L351 WeakPolarHBondContact O-CB 3.48Å; P313-L351 WeakPolarHBondContact O-CG 3.48Å; P313-L351 PolarHBondContact O-N 3.03Å; F338-L351 HydrophobicContact CD2-CD1 4.41Å; F338-L351 HydrophobicContact CE2-CD1 3.85Å; A340-L351 HydrophobicContact CB-CD1 4.27Å; A340-L351 HydrophobicContact CB-CD2 4.46Å; A340-L351 HydrophobicContact CB-CG 4.15Å; F343-L351 HydrophobicContact CB-CD2 3.91Å; F343-L351 HydrophobicContact CD1-CD2 3.73Å; F343-L351 HydrophobicContact CD2-CD2 4.25Å; F343-L351 HydrophobicContact CE1-CD2 4.26Å; F343-L351 HydrophobicContact CG-CD2 3.71Å; V348-L351 HydrophobicContact CG1-CD2 4.05Å; L351-K353 PolarHBondContact O-N 2.89Å; L351-V354 WeakPolarHBondContact O-CG2 3.4Å; L351-V354 PolarHBondContact O-N 3.26Å; L351-V354 VanDerWaalsContact O-N 3.11Å; L351-L355 HydrophobicContact CD2-CD1 4.31Å; L351-L355 WeakPolarHBondContact O-CB 3.47Å; L351-L355 PolarHBondContact O-N 2.79Å |
| 352 | T | 93 | Very high | 93.2 | Very high | 52 Ų | 52 | 29.8 Ų | 29.8 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -70.4 | -16.2 | -179.3 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | L311 V312 P313 D350 V354 | L311-T352 HydrophobicContact CD2-CG2 4.23Å; L311-T352 HydrophobicContact CG-CG2 4.02Å; V312-T352 VanDerWaalsContact C-CG2 3.45Å; P313-T352 HydrophobicContact CG-CG2 4.21Å; D350-T352 PolarHBondContact O-N 3.01Å; D350-T352 WeakPolarHBondContact OD1-CA 3.08Å; D350-T352 VanDerWaalsContact OD1-CB 3.3Å; D350-T352 WeakPolarHBondContact OD1-CB 3.36Å; D350-T352 PolarHBondContact OD1-N 3.07Å; D350-T352 PolarHBondContact OD1-OG1 2.82Å; D350-T352 PolarHBondContact OD2-OG1 2.66Å; T352-V354 VanDerWaalsContact C-N 3.33Å |
| 353 | K | 92.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 28.9 Ų | 28.9 | 38% | 0.383 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -73.1 | -27.5 | 172.9 | -64 | 177 | -170.1 | 156.5 | 0 | 112.3 | D349 D350 L351 A568 | D349-K353 IonicContact OD1-NZ 2.76Å; D349-K353 PolarHBondContact OD1-NZ 3.41Å; D349-K353 IonicContact OD2-NZ 3.25Å; D349-K353 PolarHBondContact OD2-NZ 3.29Å; D350-K353 HydrophobicContact CB-CD 3.82Å; D350-K353 HydrophobicContact CB-CG 3.92Å; D350-K353 WeakPolarHBondContact O-CB 3.09Å; D350-K353 PolarHBondContact O-N 2.83Å; D350-K353 WeakPolarHBondContact OD2-CE 3.33Å; L351-K353 PolarHBondContact O-N 2.89Å; K353-A568 WeakPolarHBondContact O-CB 3.21Å |
| 354 | V | 93.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -26.1 | -170 | -69 | 0 | 0 | 0 | 0 | 114.6 | F343 V348 L351 T352 A568 F570 | F343-V354 HydrophobicContact CE1-CG2 4.42Å; V348-V354 HydrophobicContact CG1-CG2 3.61Å; V348-V354 HydrophobicContact CG2-CG1 4.42Å; V348-V354 HydrophobicContact CG2-CG2 4.07Å; L351-V354 WeakPolarHBondContact O-CG2 3.4Å; L351-V354 PolarHBondContact O-N 3.26Å; L351-V354 VanDerWaalsContact O-N 3.11Å; T352-V354 VanDerWaalsContact C-N 3.33Å; V354-A568 HydrophobicContact CB-CB 4.45Å; V354-A568 HydrophobicContact CG1-CB 4.33Å; V354-F570 HydrophobicContact CB-CD2 3.76Å; V354-F570 HydrophobicContact CB-CE2 3.6Å; V354-F570 HydrophobicContact CB-CG 4.34Å; V354-F570 HydrophobicContact CB-CZ 4.05Å; V354-F570 HydrophobicContact CG1-CD2 3.79Å; V354-F570 HydrophobicContact CG1-CE2 4.17Å; V354-F570 HydrophobicContact CG1-CG 4.16Å; V354-F570 HydrophobicContact CG2-CE2 4.4Å; V354-F570 HydrophobicContact CG2-CZ 4.38Å |
| 355 | L | 95 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | trans | -113.2 | 158.5 | 179.3 | -64 | 176.1 | 0 | 0 | 0 | 111.4 | L308 L311 F338 F343 L351 L361 F570 | L308-L355 HydrophobicContact CD2-CB 4.24Å; L311-L355 HydrophobicContact CD1-CB 4.48Å; L311-L355 HydrophobicContact CD1-CD1 4.47Å; L311-L355 HydrophobicContact CD2-CB 3.7Å; L311-L355 WeakPolarHBondContact CD2-O 3.49Å; F338-L355 HydrophobicContact CE2-CD1 4.46Å; F338-L355 HydrophobicContact CZ-CD1 4.4Å; F343-L355 HydrophobicContact CD2-CD1 4.41Å; F343-L355 HydrophobicContact CE2-CD1 3.74Å; F343-L355 HydrophobicContact CE2-CD2 4.38Å; F343-L355 HydrophobicContact CE2-CG 4.42Å; F343-L355 HydrophobicContact CZ-CD1 3.86Å; F343-L355 HydrophobicContact CZ-CD2 4.03Å; F343-L355 HydrophobicContact CZ-CG 4.08Å; L351-L355 HydrophobicContact CD2-CD1 4.31Å; L351-L355 WeakPolarHBondContact O-CB 3.47Å; L351-L355 PolarHBondContact O-N 2.79Å; L355-L361 HydrophobicContact CD1-CD1 3.89Å; L355-L361 HydrophobicContact CD2-CD1 4.07Å; L355-L361 HydrophobicContact CD2-CD2 4.02Å; L355-F570 HydrophobicContact CD2-CZ 4.25Å | ||
| 356 | C | 93.1 | Very high | 92.9 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | trans | -135.7 | 146.2 | 174.2 | -71.5 | 0 | 0 | 0 | 0 | 109.9 | L308 N359 R579 | L308-C356 WeakPolarHBondContact CD2-O 3.19Å; C356-N359 PolarHBondContact N-ND2 3.29Å; C356-N359 WeakPolarHBondContact O-CB 3.33Å; C356-N359 PolarHBondContact O-N 3.45Å; C356-N359 PolarHBondContact O-ND2 2.87Å; C356-N359 PolarHBondContact O-OD1 3.2Å; C356-R579 VanDerWaalsContact SG-CA 3.52Å; C356-R579 PolarHBondContact SG-O 2.79Å; C356-R579 VanDerWaalsContact SG-O 3.35Å | ||
| 357 | V | 92.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 141.9 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | L311 N359 Q422 L423 E426 | L311-V357 HydrophobicContact CB-CG2 3.97Å; V357-N359 VanDerWaalsContact C-N 3.29Å; V357-Q422 HydrophobicContact CG1-CB 4.36Å; V357-Q422 HydrophobicContact CG2-CB 3.88Å; V357-L423 HydrophobicContact CG1-CB 4.01Å; V357-L423 HydrophobicContact CG1-CD1 3.96Å; V357-E426 HydrophobicContact CG1-CB 4.33Å; V357-E426 WeakPolarHBondContact O-CG 2.99Å |
| 358 | G | 91.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -5.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L308 M401 | L308-G358 PolarHBondContact O-N 2.82Å; G358-M401 WeakPolarHBondContact O-CE 3.34Å |
| 359 | N | 93.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | trans | -61.2 | 149.2 | 165.8 | -76.4 | -5.8 | 0 | 0 | 0 | 110.5 | L308 C356 V357 G523 | L308-N359 HydrophobicContact CB-CB 4.46Å; L308-N359 VanDerWaalsContact CB-O 3.32Å; L308-N359 WeakPolarHBondContact CB-O 3.29Å; L308-N359 HydrophobicContact CD2-CB 4.42Å; L308-N359 PolarHBondContact N-O 3.29Å; C356-N359 PolarHBondContact N-ND2 3.29Å; C356-N359 WeakPolarHBondContact O-CB 3.33Å; C356-N359 PolarHBondContact O-N 3.45Å; C356-N359 PolarHBondContact O-ND2 2.87Å; C356-N359 PolarHBondContact O-OD1 3.2Å; V357-N359 VanDerWaalsContact C-N 3.29Å; N359-G523 CarbonylContact C-O 3.47Å; N359-G523 WeakPolarHBondContact CA-O 3.13Å; N359-G523 WeakPolarHBondContact CB-O 3.34Å | ||
| 360 | V | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.4 | 173.5 | 166.1 | 0 | 0 | 0 | 0 | 108.2 | I305 G306 L307 I321 V389 V397 M401 G523 | I305-V360 HydrophobicContact CG2-CG1 3.13Å; G306-V360 WeakPolarHBondContact O-CA 3.3Å; L307-V360 HydrophobicContact CD1-CG2 3.94Å; I321-V360 HydrophobicContact CD1-CG1 4.05Å; I321-V360 HydrophobicContact CD1-CG2 3.73Å; V360-V389 HydrophobicContact CG1-CG2 4.29Å; V360-V397 HydrophobicContact CG1-CG1 4.3Å; V360-M401 HydrophobicContact CB-CE 3.81Å; V360-M401 HydrophobicContact CB-SD 4.31Å; V360-M401 HydrophobicContact CG2-CE 3.25Å; V360-M401 HydrophobicContact CG2-SD 3.77Å; V360-G523 PolarHBondContact N-O 2.92Å |
| 361 | L | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.6 | -172.1 | -62.2 | 175.7 | 0 | 0 | 0 | 109.5 | I305 G306 L308 L318 F338 L355 V386 C525 | I305-L361 CarbonylContact C-O 3.34Å; I305-L361 WeakPolarHBondContact CA-O 3.43Å; G306-L361 PolarHBondContact N-O 3.07Å; G306-L361 PolarHBondContact O-N 3.3Å; L308-L361 HydrophobicContact CD2-CD1 4.48Å; L318-L361 HydrophobicContact CD1-CB 4.39Å; L318-L361 HydrophobicContact CD2-CB 4.26Å; L318-L361 HydrophobicContact CD2-CD1 4.2Å; F338-L361 HydrophobicContact CZ-CD1 4.47Å; L355-L361 HydrophobicContact CD1-CD1 3.89Å; L355-L361 HydrophobicContact CD2-CD1 4.07Å; L355-L361 HydrophobicContact CD2-CD2 4.02Å; L361-V386 HydrophobicContact CB-CG1 4.03Å; L361-V386 HydrophobicContact CD1-CG1 3.87Å; L361-C525 WeakPolarHBondContact CD2-SG 3.36Å |
| 362 | K | 94 | Very high | 87 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 149.5 | 168.4 | 73.2 | -176.2 | -179.2 | 178.8 | 0 | 110.5 | G304 I305 V386 S387 P388 V389 T390 E393 | G304-K362 CarbonylContact O-C 3.58Å; G304-K362 WeakPolarHBondContact O-CA 3.47Å; I305-K362 HydrophobicContact CG1-CB 4.31Å; K362-V386 WeakPolarHBondContact O-CA 3.31Å; K362-S387 WeakPolarHBondContact CE-OG 3.5Å; K362-S387 WeakPolarHBondContact CG-O 3.21Å; K362-S387 WeakPolarHBondContact CG-OG 3.21Å; K362-S387 PolarHBondContact N-O 3.34Å; K362-S387 PolarHBondContact O-N 2.87Å; K362-P388 WeakPolarHBondContact CE-O 2.81Å; K362-V389 HydrophobicContact CB-CG2 4.48Å; K362-T390 VanDerWaalsContact NZ-CG2 3.28Å; K362-T390 PolarHBondContact NZ-OG1 3.09Å; K362-E393 WeakPolarHBondContact CD-OE1 3.34Å; K362-E393 WeakPolarHBondContact CD-OE2 3.43Å; K362-E393 VanDerWaalsContact NZ-CD 3.31Å; K362-E393 IonicContact NZ-OE1 3.01Å; K362-E393 PolarHBondContact NZ-OE1 2.88Å; K362-E393 IonicContact NZ-OE2 2.81Å; K362-E393 PolarHBondContact NZ-OE2 2.84Å |
| 363 | F | 95 | Very high | 85.6 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.6 | 179.6 | 67.4 | -93.7 | 0 | 0 | 0 | 111.4 | V302 S303 G304 L318 R320 V336 A365 L385 V386 | V302-F363 HydrophobicContact CG1-CE2 4.36Å; S303-F363 WeakPolarHBondContact CA-O 3.38Å; G304-F363 PolarHBondContact N-O 2.74Å; G304-F363 WeakPolarHBondContact O-CD1 3.32Å; G304-F363 PolarHBondContact O-N 3.27Å; L318-F363 HydrophobicContact CD1-CB 4.06Å; L318-F363 HydrophobicContact CD1-CD1 3.87Å; L318-F363 HydrophobicContact CD1-CG 4.29Å; R320-F363 HydrophobicContact CB-CE1 4.34Å; R320-F363 HydrophobicContact CB-CZ 4.21Å; R320-F363 HydrophobicContact CG-CE1 4.05Å; R320-F363 HydrophobicContact CG-CZ 3.79Å; V336-F363 HydrophobicContact CB-CD2 4.49Å; V336-F363 HydrophobicContact CB-CG 4.49Å; V336-F363 HydrophobicContact CG1-CB 4.37Å; V336-F363 HydrophobicContact CG1-CD2 3.9Å; V336-F363 HydrophobicContact CG1-CE2 4.36Å; V336-F363 HydrophobicContact CG1-CG 4.05Å; V336-F363 HydrophobicContact CG2-CD1 4.05Å; V336-F363 HydrophobicContact CG2-CD2 3.94Å; V336-F363 HydrophobicContact CG2-CE1 3.73Å; V336-F363 HydrophobicContact CG2-CE2 3.63Å; V336-F363 HydrophobicContact CG2-CG 4.15Å; V336-F363 HydrophobicContact CG2-CZ 3.52Å; F363-A365 HydrophobicContact CD2-CB 3.87Å; F363-A365 HydrophobicContact CE2-CB 4.21Å; F363-L385 CarbonylContact C-O 3.42Å; F363-L385 VanDerWaalsContact CA-O 3.22Å; F363-L385 WeakPolarHBondContact CA-O 3.37Å; F363-V386 HydrophobicContact CB-CG2 4.11Å |
| 364 | Q | 95.2 | Very high | 84.3 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.2 | 156.3 | -56.6 | -177.2 | 8.9 | 0 | 0 | 106.8 | A383 S384 L385 | Q364-A383 CarbonylContact O-C 3.52Å; Q364-A383 VanDerWaalsContact O-CA 3.32Å; Q364-A383 WeakPolarHBondContact O-CA 3.41Å; Q364-S384 PolarHBondContact O-N 3.41Å; Q364-S384 PolarHBondContact O-OG 3.36Å; Q364-L385 HydrophobicContact CB-CB 4.28Å; Q364-L385 PolarHBondContact N-O 3.43Å; Q364-L385 PolarHBondContact O-N 2.85Å; Q364-L385 VanDerWaalsContact O-N 3.12Å |
| 365 | A | 93.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V302 V336 F363 H381 I382 | V302-A365 PolarHBondContact N-O 3.32Å; V302-A365 PolarHBondContact O-N 3.24Å; V336-A365 HydrophobicContact CG1-CB 3.96Å; F363-A365 HydrophobicContact CD2-CB 3.87Å; F363-A365 HydrophobicContact CE2-CB 4.21Å; A365-H381 HydrophobicContact CB-CB 3.72Å; A365-I382 CarbonylContact C-O 3.09Å; A365-I382 VanDerWaalsContact CA-O 3.29Å; A365-I382 WeakPolarHBondContact CA-O 3.34Å; A365-I382 WeakPolarHBondContact CB-O 3.22Å |
| 366 | N | 86.6 | Confident | 81.5 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 137.6 | 172.3 | -62.2 | -24.7 | 0 | 0 | 0 | 108.2 | S368 I382 | N366-S368 PolarHBondContact O-N 2.73Å; N366-I382 PolarHBondContact N-O 3.46Å |
| 367 | K | 69.9 | Low | 80.7 | Confident | 140 Ų | 140 | 61 Ų | 61 | 61% | 0.609 | 29% | 0.294 | S | S | * | . | trans | -63.3 | 134.8 | -179.5 | -171.5 | 172 | -175.8 | 178.4 | 0 | 110.2 | S300 V302 | S300-K367 WeakPolarHBondContact O-CB 3.39Å; S300-K367 WeakPolarHBondContact OG-CB 3.35Å; S300-K367 WeakPolarHBondContact OG-CD 3.42Å; V302-K367 HydrophobicContact CG2-CB 4.39Å | ||
| 368 | S | 68.3 | Low | 80.1 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | trans | -117.6 | -169.5 | -172.4 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | N366 V379 D380 H381 | N366-S368 PolarHBondContact O-N 2.73Å; S368-V379 VanDerWaalsContact OG-CG1 3.29Å; S368-V379 WeakPolarHBondContact OG-CG1 3.13Å; S368-D380 VanDerWaalsContact CB-C 3.48Å; S368-D380 WeakPolarHBondContact CB-O 3.44Å; S368-D380 VanDerWaalsContact CB-OD1 3.23Å; S368-D380 WeakPolarHBondContact CB-OD1 3.25Å; S368-D380 PolarHBondContact OG-N 3.44Å; S368-D380 PolarHBondContact OG-O 3.47Å; S368-D380 PolarHBondContact OG-OD1 3Å; S368-H381 WeakPolarHBondContact OG-CA 3.33Å; S368-H381 PolarHBondContact OG-N 3.02Å; S368-H381 VanDerWaalsContact OG-N 3.12Å | ||
| 369 | R | 68.9 | Low | 79.8 | Confident | 178 Ų | 178 | 61.1 Ų | 61.1 | 67% | 0.672 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 131.4 | -172.2 | -173.7 | -179.8 | -68.8 | -170.6 | 0.3 | 109.4 | I371 D380 | R369-I371 PolarHBondContact O-N 3.45Å; R369-D380 PolarHBondContact N-OD1 2.65Å |
| 370 | K | 76.5 | Confident | 79.3 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 48% | 0.478 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 119.5 | 164.1 | -173.7 | 174.2 | 179.5 | 171.1 | 0 | 108.2 | N372 S377 V379 | K370-N372 WeakPolarHBondContact CE-OD1 3.44Å; K370-S377 WeakPolarHBondContact CE-OG 3.36Å; K370-S377 PolarHBondContact NZ-OG 2.8Å; K370-V379 HydrophobicContact CB-CG2 4.22Å; K370-V379 HydrophobicContact CG-CG2 4.18Å |
| 371 | I | 73.4 | Confident | 79 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.6 | 178.1 | -55.2 | 165.2 | 0 | 0 | 0 | 107.3 | Q25 R369 F373 S377 Y378 D380 | Q25-I371 HydrophobicContact CB-CD1 3.81Å; Q25-I371 HydrophobicContact CG-CD1 3.53Å; Q25-I371 HydrophobicContact CG-CG1 3.98Å; Q25-I371 HydrophobicContact CG-CG2 3.92Å; R369-I371 PolarHBondContact O-N 3.45Å; I371-F373 HydrophobicContact CB-CE2 4.23Å; I371-F373 HydrophobicContact CG2-CD2 4.21Å; I371-F373 HydrophobicContact CG2-CE2 3.27Å; I371-F373 HydrophobicContact CG2-CZ 3.58Å; I371-S377 CarbonylContact O-C 3.59Å; I371-S377 WeakPolarHBondContact O-CA 3.2Å; I371-S377 WeakPolarHBondContact O-CB 3.26Å; I371-Y378 HydrophobicContact CB-CD1 4.28Å; I371-Y378 HydrophobicContact CB-CE1 4.17Å; I371-Y378 HydrophobicContact CB-CE2 4.31Å; I371-Y378 HydrophobicContact CD1-CD2 4.18Å; I371-Y378 HydrophobicContact CD1-CE1 4.44Å; I371-Y378 HydrophobicContact CD1-CE2 3.39Å; I371-Y378 HydrophobicContact CG1-CE2 4.34Å; I371-Y378 HydrophobicContact CG2-CE1 4.19Å; I371-Y378 PolarHBondContact N-O 2.84Å; I371-Y378 PolarHBondContact O-N 2.79Å; I371-D380 HydrophobicContact CD1-CB 4.25Å; I371-D380 VanDerWaalsContact CD1-OD2 3.31Å; I371-D380 WeakPolarHBondContact CD1-OD2 3.24Å |
| 372 | N | 72 | Confident | 78.7 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.5 | -179.3 | -60.9 | -41.4 | 0 | 0 | 0 | 110 | K370 S377 | K370-N372 WeakPolarHBondContact CE-OD1 3.44Å; N372-S377 VanDerWaalsContact OD1-CB 3.29Å; N372-S377 WeakPolarHBondContact OD1-CB 3.07Å |
| 373 | F | 64.9 | Low | 78.7 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | trans | -119 | 168 | 168.6 | -63.9 | -86 | 0 | 0 | 0 | 109.3 | H31 I371 N375 S376 Y378 | H31-F373 HydrophobicContact CB-CE1 3.9Å; H31-F373 HydrophobicContact CB-CZ 3.92Å; H31-F373 AromaticContact CD2-CE1 3.28Å; H31-F373 WeakPolarHBondContact CD2-CE1 3.5Å; H31-F373 AromaticContact CD2-CZ 3.7Å; H31-F373 AromaticContact CE1-CE1 3.99Å; H31-F373 AromaticContact CE1-CZ 3.7Å; H31-F373 AromaticContact CG-CE1 3.41Å; H31-F373 VanDerWaalsContact CG-CE1 3.41Å; H31-F373 AromaticContact CG-CZ 3.41Å; H31-F373 VanDerWaalsContact CG-CZ 3.41Å; H31-F373 AromaticContact ND1-CE1 3.88Å; H31-F373 AromaticContact ND1-CZ 3.44Å; H31-F373 WeakPolarHBondContact ND1-CZ 3.14Å; H31-F373 AromaticContact NE2-CE1 3.67Å; H31-F373 AromaticContact NE2-CZ 3.87Å; I371-F373 HydrophobicContact CB-CE2 4.23Å; I371-F373 HydrophobicContact CG2-CD2 4.21Å; I371-F373 HydrophobicContact CG2-CE2 3.27Å; I371-F373 HydrophobicContact CG2-CZ 3.58Å; F373-N375 PolarHBondContact O-N 3.42Å; F373-S376 CarbonylContact C-O 3.46Å; F373-S376 WeakPolarHBondContact CA-O 3.35Å; F373-S376 WeakPolarHBondContact CB-O 3.48Å; F373-S376 PolarHBondContact N-O 2.77Å; F373-S376 PolarHBondContact O-N 3.42Å; F373-S376 VanDerWaalsContact O-O 3.14Å; F373-Y378 HydrophobicContact CD2-CD1 4.26Å; F373-Y378 HydrophobicContact CD2-CE1 4.12Å; F373-Y378 AromaticContact CE2-CD1 3.84Å; F373-Y378 HydrophobicContact CE2-CD1 3.84Å; F373-Y378 AromaticContact CE2-CE1 3.3Å; F373-Y378 HydrophobicContact CE2-CE1 3.3Å; F373-Y378 HydrophobicContact CZ-CE1 4.11Å | ||
| 374 | E | 62.9 | Low | 78.6 | Confident | 190 Ų | 190 | 66.8 Ų | 66.8 | 89% | 0.888 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -51.3 | -34.8 | -174.5 | -62.8 | -175.2 | 160.4 | 0 | 0 | 113.6 | ||
| 375 | N | 63.3 | Low | 78.7 | Confident | 140 Ų | 140 | 66 Ų | 66 | 75% | 0.749 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -126.6 | -1.1 | -175.1 | -64.9 | -34.1 | 0 | 0 | 0 | 114.9 | F373 | F373-N375 PolarHBondContact O-N 3.42Š|
| 376 | S | 67.3 | Low | 78.9 | Confident | 28 Ų | 28 | 66 Ų | 66 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | trans | -153.4 | 155.7 | -178.6 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | F373 | F373-S376 CarbonylContact C-O 3.46Å; F373-S376 WeakPolarHBondContact CA-O 3.35Å; F373-S376 WeakPolarHBondContact CB-O 3.48Å; F373-S376 PolarHBondContact N-O 2.77Å; F373-S376 PolarHBondContact O-N 3.42Å; F373-S376 VanDerWaalsContact O-O 3.14Å | ||
| 377 | S | 76 | Confident | 79.3 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 147.1 | 170.5 | 65 | 0 | 0 | 0 | 0 | 109.9 | T332 K370 I371 N372 | T332-S377 WeakPolarHBondContact CG2-O 3.32Å; T332-S377 PolarHBondContact OG1-OG 2.88Å; K370-S377 WeakPolarHBondContact CE-OG 3.36Å; K370-S377 PolarHBondContact NZ-OG 2.8Å; I371-S377 CarbonylContact O-C 3.59Å; I371-S377 WeakPolarHBondContact O-CA 3.2Å; I371-S377 WeakPolarHBondContact O-CB 3.26Å; N372-S377 VanDerWaalsContact OD1-CB 3.29Å; N372-S377 WeakPolarHBondContact OD1-CB 3.07Å |
| 378 | Y | 81.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 167.1 | 173.1 | 70 | -91.2 | 0 | 0 | 0 | 111.1 | I22 L333 F335 I371 F373 D380 F417 | I22-Y378 PolarHBondContact O-OH 3.38Å; L333-Y378 CarbonylContact O-C 3.51Å; L333-Y378 WeakPolarHBondContact O-CA 3.23Å; L333-Y378 VanDerWaalsContact O-CB 3.32Å; L333-Y378 WeakPolarHBondContact O-CB 3.26Å; F335-Y378 AromaticContact CD2-CD2 3.76Å; F335-Y378 HydrophobicContact CD2-CD2 3.76Å; F335-Y378 HydrophobicContact CD2-CE2 4.44Å; F335-Y378 HydrophobicContact CD2-CG 4.26Å; F335-Y378 HydrophobicContact CE2-CD2 4.13Å; F335-Y378 HydrophobicContact CE2-CG 4.21Å; I371-Y378 HydrophobicContact CB-CD1 4.28Å; I371-Y378 HydrophobicContact CB-CE1 4.17Å; I371-Y378 HydrophobicContact CB-CE2 4.31Å; I371-Y378 HydrophobicContact CD1-CD2 4.18Å; I371-Y378 HydrophobicContact CD1-CE1 4.44Å; I371-Y378 HydrophobicContact CD1-CE2 3.39Å; I371-Y378 HydrophobicContact CG1-CE2 4.34Å; I371-Y378 HydrophobicContact CG2-CE1 4.19Å; I371-Y378 PolarHBondContact N-O 2.84Å; I371-Y378 PolarHBondContact O-N 2.79Å; F373-Y378 HydrophobicContact CD2-CD1 4.26Å; F373-Y378 HydrophobicContact CD2-CE1 4.12Å; F373-Y378 AromaticContact CE2-CD1 3.84Å; F373-Y378 HydrophobicContact CE2-CD1 3.84Å; F373-Y378 AromaticContact CE2-CE1 3.3Å; F373-Y378 HydrophobicContact CE2-CE1 3.3Å; F373-Y378 HydrophobicContact CZ-CE1 4.11Å; Y378-D380 HydrophobicContact CD2-CB 4.5Å; Y378-D380 HydrophobicContact CE2-CB 4.24Å; Y378-F417 AromaticContact CD1-CE1 3.9Å; Y378-F417 HydrophobicContact CD1-CE1 3.9Å; Y378-F417 HydrophobicContact CD1-CE2 4.43Å; Y378-F417 AromaticContact CD1-CZ 3.33Å; Y378-F417 HydrophobicContact CD1-CZ 3.33Å; Y378-F417 AromaticContact CE1-CE1 3.83Å; Y378-F417 HydrophobicContact CE1-CE1 3.83Å; Y378-F417 AromaticContact CE1-CZ 3.75Å; Y378-F417 HydrophobicContact CE1-CZ 3.75Å; Y378-F417 HydrophobicContact CG-CE1 4.32Å; Y378-F417 AromaticContact CG-CZ 3.71Å; Y378-F417 HydrophobicContact CG-CZ 3.71Å |
| 379 | V | 85 | Confident | 81.6 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | T332 L333 E334 F335 S368 K370 H381 | T332-V379 HydrophobicContact CG2-CG2 3.77Å; L333-V379 PolarHBondContact O-N 2.78Å; E334-V379 CarbonylContact C-O 3.58Å; E334-V379 WeakPolarHBondContact CA-O 3.36Å; E334-V379 HydrophobicContact CG-CB 4.27Å; F335-V379 PolarHBondContact N-O 3.36Å; S368-V379 VanDerWaalsContact OG-CG1 3.29Å; S368-V379 WeakPolarHBondContact OG-CG1 3.13Å; K370-V379 HydrophobicContact CB-CG2 4.22Å; K370-V379 HydrophobicContact CG-CG2 4.18Å; V379-H381 VanDerWaalsContact CG1-CE1 3.45Å; V379-H381 WeakPolarHBondContact CG1-CE1 3.35Å; V379-H381 WeakPolarHBondContact CG1-NE2 3.38Å |
| 380 | D | 83.4 | Confident | 82.5 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.059 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 74.8 | -171 | 61.4 | -13.2 | 0 | 0 | 0 | 112.7 | S26 F335 S368 R369 I371 Y378 | S26-D380 VanDerWaalsContact CB-OD2 3.23Å; S26-D380 WeakPolarHBondContact CB-OD2 3.43Å; S26-D380 WeakPolarHBondContact OG-CB 3.4Å; S26-D380 VanDerWaalsContact OG-CG 3.3Å; S26-D380 PolarHBondContact OG-OD2 3.06Å; F335-D380 CarbonylContact O-C 3.47Å; S368-D380 VanDerWaalsContact CB-C 3.48Å; S368-D380 WeakPolarHBondContact CB-O 3.44Å; S368-D380 VanDerWaalsContact CB-OD1 3.23Å; S368-D380 WeakPolarHBondContact CB-OD1 3.25Å; S368-D380 PolarHBondContact OG-N 3.44Å; S368-D380 PolarHBondContact OG-O 3.47Å; S368-D380 PolarHBondContact OG-OD1 3Å; R369-D380 PolarHBondContact N-OD1 2.65Å; I371-D380 HydrophobicContact CD1-CB 4.25Å; I371-D380 VanDerWaalsContact CD1-OD2 3.31Å; I371-D380 WeakPolarHBondContact CD1-OD2 3.24Å; Y378-D380 HydrophobicContact CD2-CB 4.5Å; Y378-D380 HydrophobicContact CE2-CB 4.24Å |
| 381 | H | 87.7 | Confident | 82.6 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 142.7 | -175.9 | -64 | -68.3 | 0 | 0 | 0 | 112.6 | E334 F335 V336 V337 A365 S368 V379 | E334-H381 IonicContact OE2-NE2 3.88Å; F335-H381 PolarHBondContact O-N 3.32Å; V336-H381 CarbonylContact C-O 3.55Å; V336-H381 VanDerWaalsContact CA-O 3.31Å; V336-H381 WeakPolarHBondContact CA-O 3.26Å; V336-H381 HydrophobicContact CB-CB 4.35Å; V336-H381 HydrophobicContact CG1-CB 4.1Å; V336-H381 HydrophobicContact CG2-CB 4.12Å; V337-H381 PolarHBondContact N-O 3.3Å; A365-H381 HydrophobicContact CB-CB 3.72Å; S368-H381 WeakPolarHBondContact OG-CA 3.33Å; S368-H381 PolarHBondContact OG-N 3.02Å; S368-H381 VanDerWaalsContact OG-N 3.12Å; V379-H381 VanDerWaalsContact CG1-CE1 3.45Å; V379-H381 WeakPolarHBondContact CG1-CE1 3.35Å; V379-H381 WeakPolarHBondContact CG1-NE2 3.38Å |
| 382 | I | 88.8 | Confident | 83 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 55% | 0.554 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.1 | 169.3 | -59.6 | 175.9 | 0 | 0 | 0 | 107.7 | A365 N366 | A365-I382 CarbonylContact C-O 3.09Å; A365-I382 VanDerWaalsContact CA-O 3.29Å; A365-I382 WeakPolarHBondContact CA-O 3.34Å; A365-I382 WeakPolarHBondContact CB-O 3.22Å; N366-I382 PolarHBondContact N-O 3.46Å |
| 383 | A | 93.1 | Very high | 83.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 137.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | V336 V337 F338 T342 Q364 V386 | V336-A383 HydrophobicContact CG1-CB 3.93Å; V337-A383 WeakPolarHBondContact O-CB 3.46Å; V337-A383 PolarHBondContact O-N 2.92Å; F338-A383 HydrophobicContact CB-CB 3.57Å; T342-A383 WeakPolarHBondContact CG2-O 3.22Å; Q364-A383 CarbonylContact O-C 3.52Å; Q364-A383 VanDerWaalsContact O-CA 3.32Å; Q364-A383 WeakPolarHBondContact O-CA 3.41Å; A383-V386 HydrophobicContact CB-CG2 3.6Å |
| 384 | S | 93.5 | Very high | 84 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -23.6 | 163.4 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | Q364 | Q364-S384 PolarHBondContact O-N 3.41Å; Q364-S384 PolarHBondContact O-OG 3.36Å |
| 385 | L | 96.6 | Very high | 84.8 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 135 | 174.4 | -178.4 | 63.3 | 0 | 0 | 0 | 110.7 | T342 C344 F363 Q364 | T342-L385 CarbonylContact O-C 3.01Å; T342-L385 VanDerWaalsContact O-CA 3.28Å; T342-L385 WeakPolarHBondContact O-CA 3.44Å; C344-L385 HydrophobicContact CB-CD1 4.19Å; F363-L385 CarbonylContact C-O 3.42Å; F363-L385 VanDerWaalsContact CA-O 3.22Å; F363-L385 WeakPolarHBondContact CA-O 3.37Å; Q364-L385 HydrophobicContact CB-CB 4.28Å; Q364-L385 PolarHBondContact N-O 3.43Å; Q364-L385 PolarHBondContact O-N 2.85Å; Q364-L385 VanDerWaalsContact O-N 3.12Å |
| 386 | V | 97.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.7 | 168.5 | 179 | 0 | 0 | 0 | 0 | 110 | L318 F338 T342 F343 C344 L361 K362 F363 A383 | L318-V386 HydrophobicContact CD1-CG1 4.39Å; F338-V386 HydrophobicContact CB-CB 4.46Å; F338-V386 HydrophobicContact CB-CG2 3.48Å; F338-V386 VanDerWaalsContact CB-CG2 3.48Å; F338-V386 HydrophobicContact CD1-CG2 4.01Å; F338-V386 HydrophobicContact CD2-CB 4.1Å; F338-V386 HydrophobicContact CD2-CG1 4.29Å; F338-V386 HydrophobicContact CD2-CG2 3.95Å; F338-V386 HydrophobicContact CE2-CG1 4.27Å; F338-V386 HydrophobicContact CG-CB 4.21Å; F338-V386 HydrophobicContact CG-CG1 4.45Å; F338-V386 HydrophobicContact CG-CG2 3.56Å; F338-V386 HydrophobicContact CZ-CG1 4.43Å; T342-V386 PolarHBondContact O-N 2.76Å; F343-V386 CarbonylContact C-O 3.51Å; F343-V386 HydrophobicContact CD2-CB 4.13Å; F343-V386 HydrophobicContact CD2-CG1 4.07Å; F343-V386 WeakPolarHBondContact CD2-O 3.3Å; F343-V386 HydrophobicContact CE2-CG1 4.25Å; C344-V386 WeakPolarHBondContact CB-O 3.31Å; C344-V386 PolarHBondContact N-O 3.01Å; L361-V386 HydrophobicContact CB-CG1 4.03Å; L361-V386 HydrophobicContact CD1-CG1 3.87Å; K362-V386 WeakPolarHBondContact O-CA 3.31Å; F363-V386 HydrophobicContact CB-CG2 4.11Å; A383-V386 HydrophobicContact CB-CG2 3.6Å |
| 387 | S | 96 | Very high | 86.1 | Confident | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.1 | 179.9 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | K362 | K362-S387 WeakPolarHBondContact CE-OG 3.5Å; K362-S387 WeakPolarHBondContact CG-O 3.21Å; K362-S387 WeakPolarHBondContact CG-OG 3.21Å; K362-S387 PolarHBondContact N-O 3.34Å; K362-S387 PolarHBondContact O-N 2.87Å |
| 388 | P | 95.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 153.2 | 165.8 | -27 | 37.8 | 0 | 0 | 0 | 112.7 | K362 C525 F570 F575 | K362-P388 WeakPolarHBondContact CE-O 2.81Å; P388-C525 HydrophobicContact CG-CB 4.39Å; P388-F570 HydrophobicContact CG-CE1 4.31Å; P388-F570 HydrophobicContact CG-CZ 4.36Å; P388-F575 HydrophobicContact CB-CD1 4Å; P388-F575 HydrophobicContact CB-CE1 4.25Å; P388-F575 HydrophobicContact CG-CB 4.23Å; P388-F575 HydrophobicContact CG-CD1 3.62Å; P388-F575 HydrophobicContact CG-CE1 4.07Å; P388-F575 HydrophobicContact CG-CG 3.88Å |
| 389 | V | 91 | Very high | 86.1 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 139.8 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | I305 V360 K362 E393 V397 | I305-V389 HydrophobicContact CD1-CG1 4.11Å; I305-V389 HydrophobicContact CD1-CG2 4.25Å; I305-V389 HydrophobicContact CG2-CG2 4.37Å; V360-V389 HydrophobicContact CG1-CG2 4.29Å; K362-V389 HydrophobicContact CB-CG2 4.48Å; V389-E393 HydrophobicContact CG1-CB 3.59Å; V389-V397 HydrophobicContact CB-CG2 4.08Å; V389-V397 HydrophobicContact CG1-CG2 3.61Å; V389-V397 HydrophobicContact CG2-CG2 4.06Å |
| 390 | T | 86.4 | Confident | 86 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 27% | 0.27 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 161.9 | 177.6 | 59 | 0 | 0 | 0 | 0 | 111.5 | K362 D392 E393 | K362-T390 VanDerWaalsContact NZ-CG2 3.28Å; K362-T390 PolarHBondContact NZ-OG1 3.09Å; T390-D392 PolarHBondContact O-N 3.34Å; T390-E393 WeakPolarHBondContact CB-OE2 3.22Å; T390-E393 PolarHBondContact N-OE2 2.83Å; T390-E393 PolarHBondContact O-N 2.91Å; T390-E393 PolarHBondContact OG1-OE2 2.91Å |
| 391 | K | 80 | Confident | 85.9 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 50% | 0.496 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -55.9 | -36.9 | -178.8 | -173.2 | -178.3 | 177.6 | -175.1 | 0 | 113.8 | E393 L394 | K391-E393 PolarHBondContact O-N 2.94Å; K391-L394 WeakPolarHBondContact O-CB 3.32Å; K391-L394 PolarHBondContact O-N 3.25Å |
| 392 | D | 80.7 | Confident | 85.8 | Confident | 154 Ų | 154 | 63.4 Ų | 63.4 | 82% | 0.824 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -69.7 | -16.2 | -179.2 | -60.6 | -36.3 | 0 | 0 | 0 | 112.9 | T390 | T390-D392 PolarHBondContact O-N 3.34Š|
| 393 | E | 81.2 | Confident | 85.6 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -102.7 | 6 | -178.5 | -62.6 | 158.8 | 150.6 | 0 | 0 | 111.9 | K362 V389 T390 K391 E395 L396 | K362-E393 WeakPolarHBondContact CD-OE1 3.34Å; K362-E393 WeakPolarHBondContact CD-OE2 3.43Å; K362-E393 VanDerWaalsContact NZ-CD 3.31Å; K362-E393 IonicContact NZ-OE1 3.01Å; K362-E393 PolarHBondContact NZ-OE1 2.88Å; K362-E393 IonicContact NZ-OE2 2.81Å; K362-E393 PolarHBondContact NZ-OE2 2.84Å; V389-E393 HydrophobicContact CG1-CB 3.59Å; T390-E393 WeakPolarHBondContact CB-OE2 3.22Å; T390-E393 PolarHBondContact N-OE2 2.83Å; T390-E393 PolarHBondContact O-N 2.91Å; T390-E393 PolarHBondContact OG1-OE2 2.91Å; K391-E393 PolarHBondContact O-N 2.94Å; E393-E395 PolarHBondContact O-N 3.35Å; E393-L396 HydrophobicContact CB-CD1 4.44Å; E393-L396 VanDerWaalsContact O-CB 3.31Å; E393-L396 WeakPolarHBondContact O-CB 3.29Å; E393-L396 PolarHBondContact O-N 3Å |
| 394 | L | 77.6 | Confident | 85.3 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -63.9 | -28.6 | -173.5 | -169.2 | 66.3 | 0 | 0 | 0 | 113.1 | K391 L396 V397 Y522 | K391-L394 WeakPolarHBondContact O-CB 3.32Å; K391-L394 PolarHBondContact O-N 3.25Å; L394-L396 PolarHBondContact O-N 2.89Å; L394-V397 HydrophobicContact CD1-CB 4.28Å; L394-V397 HydrophobicContact CD1-CG2 4.3Å; L394-V397 PolarHBondContact O-N 3.46Å; L394-Y522 HydrophobicContact CD1-CD1 3.57Å; L394-Y522 HydrophobicContact CD1-CD2 4.28Å; L394-Y522 HydrophobicContact CD1-CE1 3.75Å; L394-Y522 HydrophobicContact CD1-CE2 4.45Å; L394-Y522 HydrophobicContact CD1-CG 3.86Å; L394-Y522 HydrophobicContact CD2-CD1 4.4Å; L394-Y522 HydrophobicContact CD2-CE1 3.71Å; L394-Y522 HydrophobicContact CD2-CE2 4.17Å; L394-Y522 HydrophobicContact CG-CE1 4.23Å |
| 395 | E | 78.4 | Confident | 85 | Confident | 193 Ų | 193 | 59 Ų | 59 | 90% | 0.902 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -62.1 | -20.6 | 175.1 | -61.2 | -174.8 | 175.6 | 0 | 0 | 112.8 | E393 | E393-E395 PolarHBondContact O-N 3.35Š|
| 396 | L | 77.8 | Confident | 84.6 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 56% | 0.56 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -90.3 | -14.6 | 177.2 | -55.8 | 174 | 0 | 0 | 0 | 112.6 | I305 E393 L394 | I305-L396 HydrophobicContact CD1-CB 3.44Å; I305-L396 VanDerWaalsContact CD1-CB 3.44Å; I305-L396 HydrophobicContact CD1-CD1 4.1Å; I305-L396 HydrophobicContact CD1-CG 4.42Å; E393-L396 HydrophobicContact CB-CD1 4.44Å; E393-L396 VanDerWaalsContact O-CB 3.31Å; E393-L396 WeakPolarHBondContact O-CB 3.29Å; E393-L396 PolarHBondContact O-N 3Å; L394-L396 PolarHBondContact O-N 2.89Å |
| 397 | V | 81.2 | Confident | 84.1 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -83 | 122.9 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | I305 V360 V389 L394 M401 | I305-V397 HydrophobicContact CD1-CG2 4.36Å; V360-V397 HydrophobicContact CG1-CG1 4.3Å; V389-V397 HydrophobicContact CB-CG2 4.08Å; V389-V397 HydrophobicContact CG1-CG2 3.61Å; V389-V397 HydrophobicContact CG2-CG2 4.06Å; L394-V397 HydrophobicContact CD1-CB 4.28Å; L394-V397 HydrophobicContact CD1-CG2 4.3Å; L394-V397 PolarHBondContact O-N 3.46Å; V397-M401 HydrophobicContact CG1-SD 4.39Å |
| 398 | P | 79 | Confident | 83.7 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -71.6 | 143.5 | -177.6 | -11 | 26.4 | 0 | 0 | 0 | 111.2 | I321 D400 I404 | I321-P398 HydrophobicContact CD1-CG 4.37Å; I321-P398 HydrophobicContact CG2-CG 3.89Å; P398-D400 PolarHBondContact O-N 2.93Å; P398-I404 HydrophobicContact CB-CD1 3.37Å; P398-I404 HydrophobicContact CB-CG1 3.63Å; P398-I404 HydrophobicContact CG-CD1 3.34Å; P398-I404 HydrophobicContact CG-CG1 3.84Å | ||
| 399 | L | 77.7 | Confident | 83.3 | Confident | 177 Ų | 177 | 64.7 Ų | 64.7 | 93% | 0.927 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -65.8 | -36.9 | -169.2 | -73.2 | 160.3 | 0 | 0 | 0 | 113.7 | ||
| 400 | D | 83.2 | Confident | 83 | Confident | 85 Ų | 85 | 66 Ų | 66 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | trans | -110.5 | 92.6 | -178.9 | -171.5 | -16.7 | 0 | 0 | 0 | 110.7 | P398 V402 D403 I404 | P398-D400 PolarHBondContact O-N 2.93Å; D400-V402 PolarHBondContact O-N 2.63Å; D400-V402 WeakPolarHBondContact OD1-CA 3.24Å; D400-V402 VanDerWaalsContact OD1-CB 3.29Å; D400-V402 WeakPolarHBondContact OD1-CB 3.04Å; D400-V402 PolarHBondContact OD1-N 2.85Å; D400-D403 HydrophobicContact CB-CB 3.83Å; D400-D403 PolarHBondContact O-N 2.88Å; D400-D403 PolarHBondContact OD1-N 3.42Å; D400-D403 VanDerWaalsContact OD1-N 3.09Å; D400-I404 WeakPolarHBondContact O-CG1 3.08Å; D400-I404 PolarHBondContact O-N 2.85Å; D400-I404 VanDerWaalsContact O-N 3.09Å | ||
| 401 | M | 81.8 | Confident | 82.8 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.7 | -27.1 | 178.2 | -64.1 | -67.4 | -64.9 | 0 | 0 | 113.3 | G358 V360 V397 I404 M405 | G358-M401 WeakPolarHBondContact O-CE 3.34Å; V360-M401 HydrophobicContact CB-CE 3.81Å; V360-M401 HydrophobicContact CB-SD 4.31Å; V360-M401 HydrophobicContact CG2-CE 3.25Å; V360-M401 HydrophobicContact CG2-SD 3.77Å; V397-M401 HydrophobicContact CG1-SD 4.39Å; M401-I404 HydrophobicContact SD-CD1 3.76Å; M401-M405 WeakPolarHBondContact O-CG 3.48Å; M401-M405 PolarHBondContact O-N 2.69Å |
| 402 | V | 84 | Confident | 83 | Confident | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.4 | -47.1 | 178.3 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | D400 I404 M405 V406 L427 T430 | D400-V402 PolarHBondContact O-N 2.63Å; D400-V402 WeakPolarHBondContact OD1-CA 3.24Å; D400-V402 VanDerWaalsContact OD1-CB 3.29Å; D400-V402 WeakPolarHBondContact OD1-CB 3.04Å; D400-V402 PolarHBondContact OD1-N 2.85Å; V402-I404 VanDerWaalsContact C-N 3.32Å; V402-I404 PolarHBondContact O-N 3.28Å; V402-M405 PolarHBondContact O-N 2.93Å; V402-V406 WeakPolarHBondContact O-CG2 3.28Å; V402-V406 PolarHBondContact O-N 2.82Å; V402-L427 HydrophobicContact CG1-CD2 4.23Å; V402-T430 HydrophobicContact CB-CG2 4.15Å; V402-T430 HydrophobicContact CG1-CG2 3.75Å; V402-T430 HydrophobicContact CG2-CG2 3.33Å |
| 403 | D | 85.4 | Confident | 83 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 176.5 | 178.3 | 62.7 | 0 | 0 | 0 | 111.8 | D400 M405 V406 K407 | D400-D403 HydrophobicContact CB-CB 3.83Å; D400-D403 PolarHBondContact O-N 2.88Å; D400-D403 PolarHBondContact OD1-N 3.42Å; D400-D403 VanDerWaalsContact OD1-N 3.09Å; D403-M405 PolarHBondContact O-N 3.19Å; D403-V406 PolarHBondContact O-N 3.11Å; D403-K407 WeakPolarHBondContact O-CB 3.44Å; D403-K407 VanDerWaalsContact O-CG 3.32Å; D403-K407 WeakPolarHBondContact O-CG 3.43Å; D403-K407 PolarHBondContact O-N 3.28Å; D403-K407 WeakPolarHBondContact OD1-CE 3.14Å; D403-K407 IonicContact OD1-NZ 3.71Å; D403-K407 WeakPolarHBondContact OD2-CE 3.24Å; D403-K407 IonicContact OD2-NZ 3.58Å; D403-K407 PolarHBondContact OD2-NZ 3.08Å |
| 404 | I | 85.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.7 | -49.8 | 174.6 | -56.6 | 165.2 | 0 | 0 | 0 | 110.5 | L307 I321 F325 P398 D400 M401 V402 V406 K407 A408 | L307-I404 HydrophobicContact CD1-CG2 4.35Å; L307-I404 HydrophobicContact CD2-CG2 3.97Å; I321-I404 HydrophobicContact CD1-CG2 4.4Å; F325-I404 HydrophobicContact CD1-CB 4.16Å; F325-I404 HydrophobicContact CD1-CG1 4.37Å; F325-I404 HydrophobicContact CD1-CG2 3.61Å; F325-I404 HydrophobicContact CD2-CG2 4.26Å; F325-I404 HydrophobicContact CE1-CB 4.06Å; F325-I404 HydrophobicContact CE1-CG2 3.27Å; F325-I404 VanDerWaalsContact CE1-O 3.27Å; F325-I404 WeakPolarHBondContact CE1-O 3.28Å; F325-I404 HydrophobicContact CE2-CG2 3.95Å; F325-I404 HydrophobicContact CG-CG2 4.09Å; F325-I404 HydrophobicContact CZ-CG2 3.44Å; F325-I404 VanDerWaalsContact CZ-CG2 3.44Å; P398-I404 HydrophobicContact CB-CD1 3.37Å; P398-I404 HydrophobicContact CB-CG1 3.63Å; P398-I404 HydrophobicContact CG-CD1 3.34Å; P398-I404 HydrophobicContact CG-CG1 3.84Å; D400-I404 WeakPolarHBondContact O-CG1 3.08Å; D400-I404 PolarHBondContact O-N 2.85Å; D400-I404 VanDerWaalsContact O-N 3.09Å; M401-I404 HydrophobicContact SD-CD1 3.76Å; V402-I404 VanDerWaalsContact C-N 3.32Å; V402-I404 PolarHBondContact O-N 3.28Å; I404-V406 PolarHBondContact O-N 3.4Å; I404-K407 CarbonylContact O-C 3.57Å; I404-K407 WeakPolarHBondContact O-CB 3.35Å; I404-K407 PolarHBondContact O-N 2.82Å; I404-A408 WeakPolarHBondContact O-CB 3.25Å; I404-A408 PolarHBondContact O-N 3.21Å |
| 405 | M | 87.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -39.8 | -178.5 | -70.4 | -171.7 | -52.6 | 0 | 0 | 111.8 | L307 M401 V402 D403 K407 A408 V409 L423 E426 L427 R581 | L307-M405 HydrophobicContact CD1-CG 4.01Å; L307-M405 HydrophobicContact CD2-CG 4.09Å; M401-M405 WeakPolarHBondContact O-CG 3.48Å; M401-M405 PolarHBondContact O-N 2.69Å; V402-M405 PolarHBondContact O-N 2.93Å; D403-M405 PolarHBondContact O-N 3.19Å; M405-K407 VanDerWaalsContact C-N 3.32Å; M405-K407 PolarHBondContact O-N 3.27Å; M405-A408 PolarHBondContact O-N 2.71Å; M405-V409 WeakPolarHBondContact O-CG2 3.34Å; M405-V409 PolarHBondContact O-N 3.09Å; M405-L423 HydrophobicContact CB-CD1 4.19Å; M405-L423 HydrophobicContact CG-CD1 3.84Å; M405-L423 HydrophobicContact SD-CD1 3.78Å; M405-E426 HydrophobicContact SD-CG 4.25Å; M405-L427 HydrophobicContact CB-CD1 3.96Å; M405-L427 HydrophobicContact CB-CD2 3.69Å; M405-L427 HydrophobicContact CB-CG 3.83Å; M405-L427 HydrophobicContact CE-CD2 3.6Å; M405-L427 HydrophobicContact CE-CG 3.88Å; M405-L427 HydrophobicContact SD-CG 4.4Å; M405-R581 PolarHBondContact SD-NH2 3.1Å |
| 406 | V | 88 | Confident | 81.6 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.2 | V402 D403 I404 V409 G410 L427 | V402-V406 WeakPolarHBondContact O-CG2 3.28Å; V402-V406 PolarHBondContact O-N 2.82Å; D403-V406 PolarHBondContact O-N 3.11Å; I404-V406 PolarHBondContact O-N 3.4Å; V406-V409 PolarHBondContact O-N 3.04Å; V406-G410 PolarHBondContact O-N 3.11Å; V406-L427 HydrophobicContact CG2-CD2 3.62Å |
| 407 | K | 86.7 | Confident | 81.5 | Confident | 83 Ų | 83 | 52 Ų | 52 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 174.1 | -76.3 | 171.2 | 176.6 | 168.1 | 0 | 111.6 | F325 D403 I404 M405 G410 L411 | F325-K407 HydrophobicContact CD1-CB 4.16Å; F325-K407 HydrophobicContact CD1-CD 4.14Å; F325-K407 HydrophobicContact CE1-CB 3.81Å; D403-K407 WeakPolarHBondContact O-CB 3.44Å; D403-K407 VanDerWaalsContact O-CG 3.32Å; D403-K407 WeakPolarHBondContact O-CG 3.43Å; D403-K407 PolarHBondContact O-N 3.28Å; D403-K407 WeakPolarHBondContact OD1-CE 3.14Å; D403-K407 IonicContact OD1-NZ 3.71Å; D403-K407 WeakPolarHBondContact OD2-CE 3.24Å; D403-K407 IonicContact OD2-NZ 3.58Å; D403-K407 PolarHBondContact OD2-NZ 3.08Å; I404-K407 CarbonylContact O-C 3.57Å; I404-K407 WeakPolarHBondContact O-CB 3.35Å; I404-K407 PolarHBondContact O-N 2.82Å; M405-K407 VanDerWaalsContact C-N 3.32Å; M405-K407 PolarHBondContact O-N 3.27Å; K407-G410 CarbonylContact O-C 3.54Å; K407-G410 PolarHBondContact O-N 3.37Å; K407-L411 WeakPolarHBondContact O-CB 3.3Å; K407-L411 WeakPolarHBondContact O-CG 3.49Å; K407-L411 PolarHBondContact O-N 3.17Å |
| 408 | A | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L307 L319 F325 I404 M405 G410 L411 L412 | L307-A408 HydrophobicContact CD2-CB 3.63Å; L319-A408 HydrophobicContact CD2-CB 4.13Å; F325-A408 HydrophobicContact CZ-CB 4.2Å; I404-A408 WeakPolarHBondContact O-CB 3.25Å; I404-A408 PolarHBondContact O-N 3.21Å; M405-A408 PolarHBondContact O-N 2.71Å; A408-G410 VanDerWaalsContact C-N 3.34Å; A408-G410 PolarHBondContact O-N 3.09Å; A408-L411 PolarHBondContact O-N 3.08Å; A408-L412 WeakPolarHBondContact O-CB 3.33Å; A408-L412 VanDerWaalsContact O-CG 3.25Å; A408-L412 WeakPolarHBondContact O-CG 3.44Å; A408-L412 PolarHBondContact O-N 3.29Å |
| 409 | V | 86.8 | Confident | 81.5 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 173.5 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | M405 V406 L411 S413 P419 L423 L427 | M405-V409 WeakPolarHBondContact O-CG2 3.34Å; M405-V409 PolarHBondContact O-N 3.09Å; V406-V409 PolarHBondContact O-N 3.04Å; V409-L411 PolarHBondContact O-N 3.25Å; V409-S413 VanDerWaalsContact O-CB 3.31Å; V409-S413 WeakPolarHBondContact O-CB 3.48Å; V409-S413 PolarHBondContact O-N 2.88Å; V409-S413 PolarHBondContact O-OG 3.11Å; V409-P419 HydrophobicContact CB-CB 4.45Å; V409-P419 HydrophobicContact CB-CG 4.35Å; V409-P419 HydrophobicContact CG1-CB 4.2Å; V409-P419 HydrophobicContact CG1-CG 3.83Å; V409-P419 HydrophobicContact CG2-CB 4.09Å; V409-L423 HydrophobicContact CG2-CD2 3.84Å; V409-L423 HydrophobicContact CG2-CG 4.12Å; V409-L427 HydrophobicContact CB-CD1 4.21Å; V409-L427 HydrophobicContact CG2-CD1 3.33Å |
| 410 | G | 84.7 | Confident | 81.9 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V406 K407 A408 R414 | V406-G410 PolarHBondContact O-N 3.11Å; K407-G410 CarbonylContact O-C 3.54Å; K407-G410 PolarHBondContact O-N 3.37Å; A408-G410 VanDerWaalsContact C-N 3.34Å; A408-G410 PolarHBondContact O-N 3.09Å; G410-R414 VanDerWaalsContact O-CG 3.25Å; G410-R414 WeakPolarHBondContact O-CG 3.43Å; G410-R414 PolarHBondContact O-N 3.09Å |
| 411 | L | 83.4 | Confident | 81.8 | Confident | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -48.1 | 177.8 | -73.8 | 169.8 | 0 | 0 | 0 | 111.9 | Y327 K407 A408 V409 S413 R414 G415 | Y327-L411 HydrophobicContact CD2-CD1 3.59Å; Y327-L411 HydrophobicContact CG-CD1 3.97Å; K407-L411 WeakPolarHBondContact O-CB 3.3Å; K407-L411 WeakPolarHBondContact O-CG 3.49Å; K407-L411 PolarHBondContact O-N 3.17Å; A408-L411 PolarHBondContact O-N 3.08Å; V409-L411 PolarHBondContact O-N 3.25Å; L411-S413 VanDerWaalsContact C-N 3.34Å; L411-S413 PolarHBondContact O-N 3.13Å; L411-R414 PolarHBondContact O-N 3.2Å; L411-G415 PolarHBondContact O-N 2.83Å |
| 412 | L | 83 | Confident | 82.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 177.3 | -70.2 | 169.3 | 0 | 0 | 0 | 109.7 | L309 L333 F335 A408 R414 G415 F417 P419 L423 | L309-L412 HydrophobicContact CD1-CD1 4Å; L309-L412 HydrophobicContact CD2-CD1 4.42Å; L333-L412 HydrophobicContact CD1-CD2 4.13Å; F335-L412 HydrophobicContact CE1-CD2 3.81Å; F335-L412 HydrophobicContact CZ-CD2 3.65Å; A408-L412 WeakPolarHBondContact O-CB 3.33Å; A408-L412 VanDerWaalsContact O-CG 3.25Å; A408-L412 WeakPolarHBondContact O-CG 3.44Å; A408-L412 PolarHBondContact O-N 3.29Å; L412-R414 PolarHBondContact O-N 3.32Å; L412-R414 VanDerWaalsContact O-N 3.16Å; L412-G415 PolarHBondContact O-N 2.59Å; L412-F417 CarbonylContact C-O 3.59Å; L412-F417 HydrophobicContact CB-CB 3.97Å; L412-F417 HydrophobicContact CD2-CB 3.71Å; L412-F417 HydrophobicContact CD2-CD2 4.42Å; L412-F417 HydrophobicContact CD2-CG 4.09Å; L412-F417 HydrophobicContact CG-CB 4.46Å; L412-F417 CarbonylContact O-C 3.56Å; L412-F417 WeakPolarHBondContact O-CA 3.46Å; L412-F417 WeakPolarHBondContact O-CB 3.41Å; L412-F417 PolarHBondContact O-N 3.34Å; L412-P419 HydrophobicContact CB-CG 4.11Å; L412-P419 HydrophobicContact CD1-CB 4.43Å; L412-L423 HydrophobicContact CD1-CD2 4.44Å |
| 413 | S | 80.6 | Confident | 82.3 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -31.6 | 179.4 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | V409 L411 F417 P419 | V409-S413 VanDerWaalsContact O-CB 3.31Å; V409-S413 WeakPolarHBondContact O-CB 3.48Å; V409-S413 PolarHBondContact O-N 2.88Å; V409-S413 PolarHBondContact O-OG 3.11Å; L411-S413 VanDerWaalsContact C-N 3.34Å; L411-S413 PolarHBondContact O-N 3.13Å; S413-F417 WeakPolarHBondContact CA-O 3.12Å; S413-F417 PolarHBondContact N-O 3.01Å; S413-P419 VanDerWaalsContact OG-CG 3.29Å; S413-P419 WeakPolarHBondContact OG-CG 3.33Å |
| 414 | R | 74.5 | Confident | 82.2 | Confident | 206 Ų | 206 | 43.3 Ų | 43.3 | 78% | 0.777 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -81.1 | -33.8 | 175.5 | -72.8 | 173.2 | -176.3 | -175.3 | 2.6 | 113 | G410 L411 L412 N416 | G410-R414 VanDerWaalsContact O-CG 3.25Å; G410-R414 WeakPolarHBondContact O-CG 3.43Å; G410-R414 PolarHBondContact O-N 3.09Å; L411-R414 PolarHBondContact O-N 3.2Å; L412-R414 PolarHBondContact O-N 3.32Å; L412-R414 VanDerWaalsContact O-N 3.16Å; R414-N416 PolarHBondContact O-N 2.69Å; R414-N416 VanDerWaalsContact O-N 3.12Å |
| 415 | G | 66.2 | Low | 82.1 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 18.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | L411 L412 F417 | L411-G415 PolarHBondContact O-N 2.83Å; L412-G415 PolarHBondContact O-N 2.59Å; G415-F417 WeakPolarHBondContact O-CD2 3.31Å; G415-F417 WeakPolarHBondContact O-CE2 3.24Å; G415-F417 PolarHBondContact O-N 3.27Å |
| 416 | N | 68.4 | Low | 81.9 | Confident | 86 Ų | 86 | 48.3 Ų | 48.3 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 7.6 | -165 | -59.9 | -36.3 | 0 | 0 | 0 | 114.2 | K21 R414 | K21-N416 WeakPolarHBondContact CD-O 3.42Å; K21-N416 WeakPolarHBondContact CE-O 3.34Å; K21-N416 PolarHBondContact NZ-O 3.09Å; R414-N416 PolarHBondContact O-N 2.69Å; R414-N416 VanDerWaalsContact O-N 3.12Å |
| 417 | F | 75 | Confident | 81.7 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 147.6 | 174 | -64.7 | -86.9 | 0 | 0 | 0 | 110.7 | K21 I22 L333 F335 Y378 L412 S413 G415 | K21-F417 HydrophobicContact CG-CD1 4.39Å; I22-F417 HydrophobicContact CG1-CD1 3.94Å; L333-F417 HydrophobicContact CD1-CD2 3.74Å; L333-F417 HydrophobicContact CD1-CE2 3.8Å; F335-F417 HydrophobicContact CE2-CD1 4.33Å; F335-F417 AromaticContact CE2-CE1 3.8Å; F335-F417 HydrophobicContact CE2-CE1 3.8Å; F335-F417 HydrophobicContact CE2-CE2 4.23Å; F335-F417 AromaticContact CE2-CZ 3.73Å; F335-F417 HydrophobicContact CE2-CZ 3.73Å; F335-F417 HydrophobicContact CZ-CD1 4.11Å; F335-F417 HydrophobicContact CZ-CD2 4.46Å; F335-F417 HydrophobicContact CZ-CE1 4.06Å; F335-F417 HydrophobicContact CZ-CE2 4.42Å; F335-F417 HydrophobicContact CZ-CG 4.3Å; F335-F417 HydrophobicContact CZ-CZ 4.2Å; Y378-F417 AromaticContact CD1-CE1 3.9Å; Y378-F417 HydrophobicContact CD1-CE1 3.9Å; Y378-F417 HydrophobicContact CD1-CE2 4.43Å; Y378-F417 AromaticContact CD1-CZ 3.33Å; Y378-F417 HydrophobicContact CD1-CZ 3.33Å; Y378-F417 AromaticContact CE1-CE1 3.83Å; Y378-F417 HydrophobicContact CE1-CE1 3.83Å; Y378-F417 AromaticContact CE1-CZ 3.75Å; Y378-F417 HydrophobicContact CE1-CZ 3.75Å; Y378-F417 HydrophobicContact CG-CE1 4.32Å; Y378-F417 AromaticContact CG-CZ 3.71Å; Y378-F417 HydrophobicContact CG-CZ 3.71Å; L412-F417 CarbonylContact C-O 3.59Å; L412-F417 HydrophobicContact CB-CB 3.97Å; L412-F417 HydrophobicContact CD2-CB 3.71Å; L412-F417 HydrophobicContact CD2-CD2 4.42Å; L412-F417 HydrophobicContact CD2-CG 4.09Å; L412-F417 HydrophobicContact CG-CB 4.46Å; L412-F417 CarbonylContact O-C 3.56Å; L412-F417 WeakPolarHBondContact O-CA 3.46Å; L412-F417 WeakPolarHBondContact O-CB 3.41Å; L412-F417 PolarHBondContact O-N 3.34Å; S413-F417 WeakPolarHBondContact CA-O 3.12Å; S413-F417 PolarHBondContact N-O 3.01Å; G415-F417 WeakPolarHBondContact O-CD2 3.31Å; G415-F417 WeakPolarHBondContact O-CE2 3.24Å; G415-F417 PolarHBondContact O-N 3.27Å |
| 418 | R | 76.9 | Confident | 81.1 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -87.6 | 125.8 | 165.9 | -169.5 | 177.6 | 177.6 | -97.7 | 8.6 | 108.2 | G17 N68 T420 D421 | G17-R418 PolarHBondContact O-NH1 2.87Å; N68-R418 WeakPolarHBondContact ND2-CD 3.37Å; N68-R418 PolarHBondContact ND2-NE 2.98Å; N68-R418 PolarHBondContact ND2-NH2 3.28Å; R418-T420 PolarHBondContact O-N 2.9Å; R418-D421 IonicContact CZ-OD1 3.6Å; R418-D421 IonicContact CZ-OD2 2.78Å; R418-D421 IonicContact NH1-OD1 3.6Å; R418-D421 PolarHBondContact NH1-OD1 3.42Å; R418-D421 IonicContact NH1-OD2 2.67Å; R418-D421 PolarHBondContact NH1-OD2 3.32Å; R418-D421 IonicContact NH2-OD1 3.77Å; R418-D421 PolarHBondContact NH2-OD1 3.42Å; R418-D421 IonicContact NH2-OD2 2.75Å; R418-D421 PolarHBondContact NH2-OD2 2.64Å |
| 419 | P | 83.8 | Confident | 80.4 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 140.1 | 166.8 | -21.2 | 31.2 | 0 | 0 | 0 | 110.2 | V409 L412 S413 V424 | V409-P419 HydrophobicContact CB-CB 4.45Å; V409-P419 HydrophobicContact CB-CG 4.35Å; V409-P419 HydrophobicContact CG1-CB 4.2Å; V409-P419 HydrophobicContact CG1-CG 3.83Å; V409-P419 HydrophobicContact CG2-CB 4.09Å; L412-P419 HydrophobicContact CB-CG 4.11Å; L412-P419 HydrophobicContact CD1-CB 4.43Å; S413-P419 VanDerWaalsContact OG-CG 3.29Å; S413-P419 WeakPolarHBondContact OG-CG 3.33Å; P419-V424 HydrophobicContact CB-CG2 3.78Å |
| 420 | T | 84.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 139.7 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | G17 V19 I22 L309 F310 R418 Q422 L423 V424 | G17-T420 CarbonylContact O-C 3.3Å; G17-T420 WeakPolarHBondContact O-CA 3.4Å; V19-T420 HydrophobicContact CG2-CG2 4.26Å; I22-T420 HydrophobicContact CD1-CG2 3.99Å; L309-T420 HydrophobicContact CB-CG2 4.46Å; L309-T420 PolarHBondContact O-OG1 3.47Å; F310-T420 HydrophobicContact CB-CG2 4.04Å; R418-T420 PolarHBondContact O-N 2.9Å; T420-Q422 PolarHBondContact O-N 2.82Å; T420-L423 PolarHBondContact O-N 3.03Å; T420-L423 WeakPolarHBondContact OG1-CB 3.37Å; T420-L423 PolarHBondContact OG1-N 3.5Å; T420-V424 PolarHBondContact O-N 3.04Å |
| 421 | D | 82.4 | Confident | 78.3 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.2 | -34.5 | 178.9 | -76.5 | -40.8 | 0 | 0 | 0 | 111.9 | G17 R418 L423 V424 H425 | G17-D421 WeakPolarHBondContact CA-OD2 3.44Å; G17-D421 PolarHBondContact O-N 2.84Å; R418-D421 IonicContact CZ-OD1 3.6Å; R418-D421 IonicContact CZ-OD2 2.78Å; R418-D421 IonicContact NH1-OD1 3.6Å; R418-D421 PolarHBondContact NH1-OD1 3.42Å; R418-D421 IonicContact NH1-OD2 2.67Å; R418-D421 PolarHBondContact NH1-OD2 3.32Å; R418-D421 IonicContact NH2-OD1 3.77Å; R418-D421 PolarHBondContact NH2-OD1 3.42Å; R418-D421 IonicContact NH2-OD2 2.75Å; R418-D421 PolarHBondContact NH2-OD2 2.64Å; D421-L423 PolarHBondContact O-N 3.06Å; D421-V424 PolarHBondContact O-N 3.17Å; D421-H425 WeakPolarHBondContact O-CB 3.34Å; D421-H425 PolarHBondContact O-N 2.57Å |
| 422 | Q | 87 | Confident | 77.7 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 174.9 | -62.5 | -173.1 | -0.2 | 0 | 0 | 112.7 | F310 L311 V357 T420 E426 | F310-Q422 HydrophobicContact CD2-CG 4.14Å; F310-Q422 HydrophobicContact CE2-CG 4.34Å; L311-Q422 PolarHBondContact O-NE2 3.34Å; L311-Q422 PolarHBondContact O-OE1 3.02Å; L311-Q422 VanDerWaalsContact O-OE1 3.14Å; V357-Q422 HydrophobicContact CG1-CB 4.36Å; V357-Q422 HydrophobicContact CG2-CB 3.88Å; T420-Q422 PolarHBondContact O-N 2.82Å; Q422-E426 WeakPolarHBondContact O-CB 3.39Å; Q422-E426 PolarHBondContact O-N 3.48Å |
| 423 | L | 88.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.9 | -41.3 | 178.9 | -179.2 | 67.3 | 0 | 0 | 0 | 111.7 | L309 V357 M405 V409 L412 T420 D421 H425 E426 L427 | L309-L423 HydrophobicContact CD2-CD2 3.72Å; V357-L423 HydrophobicContact CG1-CB 4.01Å; V357-L423 HydrophobicContact CG1-CD1 3.96Å; M405-L423 HydrophobicContact CB-CD1 4.19Å; M405-L423 HydrophobicContact CG-CD1 3.84Å; M405-L423 HydrophobicContact SD-CD1 3.78Å; V409-L423 HydrophobicContact CG2-CD2 3.84Å; V409-L423 HydrophobicContact CG2-CG 4.12Å; L412-L423 HydrophobicContact CD1-CD2 4.44Å; T420-L423 PolarHBondContact O-N 3.03Å; T420-L423 WeakPolarHBondContact OG1-CB 3.37Å; T420-L423 PolarHBondContact OG1-N 3.5Å; D421-L423 PolarHBondContact O-N 3.06Å; L423-H425 VanDerWaalsContact C-N 3.31Å; L423-E426 PolarHBondContact O-N 3Å; L423-L427 PolarHBondContact O-N 2.94Å |
| 424 | V | 84.9 | Confident | 77.9 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | P419 T420 D421 L427 S428 | P419-V424 HydrophobicContact CB-CG2 3.78Å; T420-V424 PolarHBondContact O-N 3.04Å; D421-V424 PolarHBondContact O-N 3.17Å; V424-L427 PolarHBondContact O-N 2.87Å; V424-S428 PolarHBondContact O-N 3.06Å |
| 425 | H | 82.2 | Confident | 78.6 | Confident | 74 Ų | 74 | 44 Ų | 44 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.4 | -49.2 | 174.1 | 173.4 | -104.5 | 0 | 0 | 0 | 111.3 | I240 D421 L423 L427 S428 T429 | I240-H425 WeakPolarHBondContact CD1-CD2 3.49Å; D421-H425 WeakPolarHBondContact O-CB 3.34Å; D421-H425 PolarHBondContact O-N 2.57Å; L423-H425 VanDerWaalsContact C-N 3.31Å; H425-L427 VanDerWaalsContact C-N 3.27Å; H425-L427 PolarHBondContact O-N 3.46Å; H425-S428 WeakPolarHBondContact O-CB 3.26Å; H425-S428 PolarHBondContact O-N 3.46Å; H425-S428 PolarHBondContact O-OG 2.85Å; H425-T429 PolarHBondContact O-N 2.87Å; H425-T429 VanDerWaalsContact O-N 3.16Å |
| 426 | E | 84.8 | Confident | 79.6 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -36.3 | 179.1 | -173.5 | 65.3 | -170 | 0 | 0 | 112.8 | V357 M405 Q422 L423 T429 T430 R581 | V357-E426 HydrophobicContact CG1-CB 4.33Å; V357-E426 WeakPolarHBondContact O-CG 2.99Å; M405-E426 HydrophobicContact SD-CG 4.25Å; Q422-E426 WeakPolarHBondContact O-CB 3.39Å; Q422-E426 PolarHBondContact O-N 3.48Å; L423-E426 PolarHBondContact O-N 3Å; E426-T429 PolarHBondContact O-N 3.1Å; E426-T429 PolarHBondContact O-OG1 3.36Å; E426-T430 PolarHBondContact O-N 3.45Å; E426-T430 PolarHBondContact O-OG1 3.32Å; E426-R581 VanDerWaalsContact OE1-CD 3.26Å; E426-R581 WeakPolarHBondContact OE1-CD 3.45Å; E426-R581 WeakPolarHBondContact OE1-CG 3.39Å; E426-R581 IonicContact OE1-CZ 2.73Å; E426-R581 IonicContact OE1-NE 3.36Å; E426-R581 PolarHBondContact OE1-NE 2.93Å; E426-R581 IonicContact OE1-NH2 3.6Å |
| 427 | L | 82.4 | Confident | 80.7 | Confident | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 172.3 | -88.2 | 166.2 | 0 | 0 | 0 | 112.5 | V402 M405 V406 V409 L423 V424 H425 T429 T430 | V402-L427 HydrophobicContact CG1-CD2 4.23Å; M405-L427 HydrophobicContact CB-CD1 3.96Å; M405-L427 HydrophobicContact CB-CD2 3.69Å; M405-L427 HydrophobicContact CB-CG 3.83Å; M405-L427 HydrophobicContact CE-CD2 3.6Å; M405-L427 HydrophobicContact CE-CG 3.88Å; M405-L427 HydrophobicContact SD-CG 4.4Å; V406-L427 HydrophobicContact CG2-CD2 3.62Å; V409-L427 HydrophobicContact CB-CD1 4.21Å; V409-L427 HydrophobicContact CG2-CD1 3.33Å; L423-L427 PolarHBondContact O-N 2.94Å; V424-L427 PolarHBondContact O-N 2.87Å; H425-L427 VanDerWaalsContact C-N 3.27Å; H425-L427 PolarHBondContact O-N 3.46Å; L427-T429 VanDerWaalsContact C-N 3.26Å; L427-T429 PolarHBondContact O-N 3.07Å; L427-T430 WeakPolarHBondContact O-CB 3.43Å; L427-T430 PolarHBondContact O-N 2.88Å |
| 428 | S | 74.9 | Confident | 81.5 | Confident | 44 Ų | 44 | 46.3 Ų | 46.3 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.3 | -25.8 | 179.6 | 79.1 | 0 | 0 | 0 | 0 | 113.6 | V424 H425 S432 | V424-S428 PolarHBondContact O-N 3.06Å; H425-S428 WeakPolarHBondContact O-CB 3.26Å; H425-S428 PolarHBondContact O-N 3.46Å; H425-S428 PolarHBondContact O-OG 2.85Å; S428-S432 WeakPolarHBondContact O-CB 3.3Å; S428-S432 PolarHBondContact O-OG 2.92Å |
| 429 | T | 73.7 | Confident | 82.2 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -85.4 | -23.3 | 178.2 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | H425 E426 L427 N431 | H425-T429 PolarHBondContact O-N 2.87Å; H425-T429 VanDerWaalsContact O-N 3.16Å; E426-T429 PolarHBondContact O-N 3.1Å; E426-T429 PolarHBondContact O-OG1 3.36Å; L427-T429 VanDerWaalsContact C-N 3.26Å; L427-T429 PolarHBondContact O-N 3.07Å; T429-N431 VanDerWaalsContact C-N 3.28Å; T429-N431 PolarHBondContact O-N 3Å; T429-N431 VanDerWaalsContact O-N 3.15Å |
| 430 | T | 67.2 | Low | 82.7 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.6 | -167.3 | -67.1 | 0 | 0 | 0 | 0 | 114.7 | V402 E426 L427 R581 | V402-T430 HydrophobicContact CB-CG2 4.15Å; V402-T430 HydrophobicContact CG1-CG2 3.75Å; V402-T430 HydrophobicContact CG2-CG2 3.33Å; E426-T430 PolarHBondContact O-N 3.45Å; E426-T430 PolarHBondContact O-OG1 3.32Å; L427-T430 WeakPolarHBondContact O-CB 3.43Å; L427-T430 PolarHBondContact O-N 2.88Å; T430-R581 VanDerWaalsContact CG2-NH1 3.27Å; T430-R581 WeakPolarHBondContact OG1-CD 3.31Å; T430-R581 PolarHBondContact OG1-NE 3.37Å; T430-R581 PolarHBondContact OG1-NH1 2.73Å |
| 431 | N | 60.9 | Low | 83.2 | Confident | 147 Ų | 147 | 47.3 Ų | 47.3 | 79% | 0.786 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.8 | 53.4 | 173 | -166.1 | -1 | 0 | 0 | 0 | 110.2 | T429 A433 | T429-N431 VanDerWaalsContact C-N 3.28Å; T429-N431 PolarHBondContact O-N 3Å; T429-N431 VanDerWaalsContact O-N 3.15Å; N431-A433 PolarHBondContact O-N 2.85Å; N431-A433 VanDerWaalsContact O-N 3.16Å |
| 432 | S | 70.2 | Confident | 83.8 | Confident | 31 Ų | 31 | 44 Ų | 44 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | trans | -73 | 114.8 | -176.1 | -145.3 | 0 | 0 | 0 | 0 | 109 | S428 I434 E435 L436 | S428-S432 WeakPolarHBondContact O-CB 3.3Å; S428-S432 PolarHBondContact O-OG 2.92Å; S432-I434 PolarHBondContact O-N 3.11Å; S432-I434 WeakPolarHBondContact OG-CG2 3.18Å; S432-E435 VanDerWaalsContact O-CB 3.31Å; S432-E435 WeakPolarHBondContact O-CB 3.26Å; S432-E435 PolarHBondContact O-N 2.63Å; S432-L436 PolarHBondContact O-N 3.47Å | ||
| 433 | A | 83 | Confident | 84.2 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 65% | 0.653 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -52.1 | -29.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N431 L436 E437 | N431-A433 PolarHBondContact O-N 2.85Å; N431-A433 VanDerWaalsContact O-N 3.16Å; A433-L436 PolarHBondContact O-N 3.13Å; A433-E437 WeakPolarHBondContact O-CB 3.4Å; A433-E437 PolarHBondContact O-N 3.43Å |
| 434 | I | 84.8 | Confident | 84.6 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.138 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -30.3 | 175 | -157.8 | 58.4 | 0 | 0 | 0 | 113.1 | S432 E437 S438 L471 Y474 | S432-I434 PolarHBondContact O-N 3.11Å; S432-I434 WeakPolarHBondContact OG-CG2 3.18Å; I434-E437 WeakPolarHBondContact CD1-OE2 3.29Å; I434-S438 WeakPolarHBondContact O-CB 3.12Å; I434-S438 PolarHBondContact O-N 3.01Å; I434-S438 PolarHBondContact O-OG 2.87Å; I434-L471 HydrophobicContact CD1-CB 4.26Å; I434-Y474 HydrophobicContact CG1-CD1 4.15Å; I434-Y474 HydrophobicContact CG1-CG 3.95Å; I434-Y474 HydrophobicContact CG2-CD1 3.92Å; I434-Y474 HydrophobicContact CG2-CD2 3.63Å; I434-Y474 HydrophobicContact CG2-CE1 4.05Å; I434-Y474 HydrophobicContact CG2-CE2 3.8Å; I434-Y474 HydrophobicContact CG2-CG 3.69Å |
| 435 | E | 88.1 | Confident | 85.1 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -50.3 | 175.4 | 170.1 | 62.6 | 170.6 | 0 | 0 | 109.5 | S432 E437 S438 V439 Y474 R489 A583 | S432-E435 VanDerWaalsContact O-CB 3.31Å; S432-E435 WeakPolarHBondContact O-CB 3.26Å; S432-E435 PolarHBondContact O-N 2.63Å; E435-E437 VanDerWaalsContact C-N 3.35Å; E435-E437 PolarHBondContact O-N 3.11Å; E435-S438 PolarHBondContact O-N 3.22Å; E435-V439 WeakPolarHBondContact O-CB 3.22Å; E435-V439 WeakPolarHBondContact O-CG2 3.47Å; E435-V439 PolarHBondContact O-N 3.19Å; E435-Y474 HydrophobicContact CB-CE1 4.17Å; E435-Y474 WeakPolarHBondContact OE2-CE1 3.43Å; E435-Y474 PolarHBondContact OE2-OH 3.12Å; E435-R489 IonicContact OE1-CZ 3.36Å; E435-R489 VanDerWaalsContact OE1-CZ 3.29Å; E435-R489 IonicContact OE1-NE 2.68Å; E435-R489 PolarHBondContact OE1-NE 2.99Å; E435-R489 IonicContact OE1-NH2 3.86Å; E435-R489 PolarHBondContact OE1-NH2 3.37Å; E435-R489 IonicContact OE2-CZ 3.68Å; E435-R489 IonicContact OE2-NE 2.89Å; E435-R489 PolarHBondContact OE2-NE 2.94Å; E435-R489 IonicContact OE2-NH2 3.58Å; E435-R489 PolarHBondContact OE2-NH2 2.72Å; E435-A583 HydrophobicContact CG-CB 3.71Å |
| 436 | L | 87.9 | Confident | 85.7 | Confident | 78 Ų | 78 | 37.7 Ų | 37.7 | 41% | 0.408 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.6 | -179.1 | 62.9 | 0 | 0 | 0 | 111.4 | S432 A433 N440 F585 | S432-L436 PolarHBondContact O-N 3.47Å; A433-L436 PolarHBondContact O-N 3.13Å; L436-N440 VanDerWaalsContact CD1-ND2 3.34Å; L436-N440 WeakPolarHBondContact CD1-ND2 3.39Å; L436-N440 WeakPolarHBondContact O-CB 2.98Å; L436-N440 PolarHBondContact O-N 2.64Å; L436-N440 PolarHBondContact O-ND2 2.84Å; L436-F585 HydrophobicContact CD1-CD2 3.84Å |
| 437 | E | 90.7 | Very high | 86.2 | Confident | 89 Ų | 89 | 40.3 Ų | 40.3 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | 177.2 | -171.5 | -178.9 | -176.5 | 0 | 0 | 111.6 | A433 I434 E435 N440 F441 N468 L471 | A433-E437 WeakPolarHBondContact O-CB 3.4Å; A433-E437 PolarHBondContact O-N 3.43Å; I434-E437 WeakPolarHBondContact CD1-OE2 3.29Å; E435-E437 VanDerWaalsContact C-N 3.35Å; E435-E437 PolarHBondContact O-N 3.11Å; E437-N440 PolarHBondContact O-N 3.32Å; E437-F441 VanDerWaalsContact O-CB 3.31Å; E437-F441 WeakPolarHBondContact O-CB 3.4Å; E437-F441 PolarHBondContact O-N 3.3Å; E437-N468 PolarHBondContact OE1-ND2 3.35Å; E437-L471 HydrophobicContact CG-CD1 4.33Å |
| 438 | S | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.9 | -46.4 | -177.6 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | I434 E435 F441 I442 Y474 | I434-S438 WeakPolarHBondContact O-CB 3.12Å; I434-S438 PolarHBondContact O-N 3.01Å; I434-S438 PolarHBondContact O-OG 2.87Å; E435-S438 PolarHBondContact O-N 3.22Å; S438-F441 PolarHBondContact O-N 3Å; S438-I442 WeakPolarHBondContact O-CG1 3.26Å; S438-I442 PolarHBondContact O-N 3.31Å; S438-Y474 WeakPolarHBondContact OG-CD1 3.27Å |
| 439 | V | 92.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | E435 F441 I442 L443 F485 I492 | E435-V439 WeakPolarHBondContact O-CB 3.22Å; E435-V439 WeakPolarHBondContact O-CG2 3.47Å; E435-V439 PolarHBondContact O-N 3.19Å; V439-F441 VanDerWaalsContact C-N 3.33Å; V439-F441 PolarHBondContact O-N 3.16Å; V439-I442 PolarHBondContact O-N 3.32Å; V439-L443 HydrophobicContact CG1-CD1 3.83Å; V439-L443 HydrophobicContact CG1-CG 4.3Å; V439-L443 WeakPolarHBondContact O-CB 3.44Å; V439-L443 VanDerWaalsContact O-CG 3.3Å; V439-L443 WeakPolarHBondContact O-CG 3.43Å; V439-L443 PolarHBondContact O-N 3.34Å; V439-F485 HydrophobicContact CG2-CZ 4.45Å; V439-I492 HydrophobicContact CG1-CD1 3.94Å |
| 440 | N | 92.8 | Very high | 88.2 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 176 | -88.8 | -53.9 | 0 | 0 | 0 | 113.1 | L436 E437 L443 S444 F585 | L436-N440 VanDerWaalsContact CD1-ND2 3.34Å; L436-N440 WeakPolarHBondContact CD1-ND2 3.39Å; L436-N440 WeakPolarHBondContact O-CB 2.98Å; L436-N440 PolarHBondContact O-N 2.64Å; L436-N440 PolarHBondContact O-ND2 2.84Å; E437-N440 PolarHBondContact O-N 3.32Å; N440-L443 PolarHBondContact O-N 3.44Å; N440-S444 WeakPolarHBondContact O-CB 3.27Å; N440-S444 PolarHBondContact O-N 3.05Å; N440-F585 WeakPolarHBondContact OD1-CE2 3.47Å |
| 441 | F | 95.5 | Very high | 89.3 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 176.9 | -178.4 | -100.4 | 0 | 0 | 0 | 110.2 | E437 S438 V439 L443 S444 F462 L471 | E437-F441 VanDerWaalsContact O-CB 3.31Å; E437-F441 WeakPolarHBondContact O-CB 3.4Å; E437-F441 PolarHBondContact O-N 3.3Å; S438-F441 PolarHBondContact O-N 3Å; V439-F441 VanDerWaalsContact C-N 3.33Å; V439-F441 PolarHBondContact O-N 3.16Å; F441-L443 PolarHBondContact O-N 3.43Å; F441-S444 VanDerWaalsContact O-CB 3.24Å; F441-S444 WeakPolarHBondContact O-CB 3.07Å; F441-S444 PolarHBondContact O-N 2.82Å; F441-S444 PolarHBondContact O-OG 3.3Å; F441-F462 AromaticContact CD1-CD1 3.82Å; F441-F462 HydrophobicContact CD1-CD1 3.82Å; F441-F462 AromaticContact CD1-CE1 3.67Å; F441-F462 HydrophobicContact CD1-CE1 3.67Å; F441-F462 HydrophobicContact CD2-CE1 4.12Å; F441-F462 AromaticContact CE1-CD1 3.26Å; F441-F462 HydrophobicContact CE1-CD1 3.26Å; F441-F462 AromaticContact CE1-CE1 3.3Å; F441-F462 HydrophobicContact CE1-CE1 3.3Å; F441-F462 HydrophobicContact CE1-CG 4.16Å; F441-F462 HydrophobicContact CE1-CZ 4.27Å; F441-F462 WeakPolarHBondContact CE1-O 3.42Å; F441-F462 AromaticContact CE2-CE1 3.8Å; F441-F462 HydrophobicContact CE2-CE1 3.8Å; F441-F462 HydrophobicContact CE2-CZ 4.1Å; F441-F462 HydrophobicContact CG-CE1 4.05Å; F441-F462 AromaticContact CZ-CD1 3.65Å; F441-F462 HydrophobicContact CZ-CD1 3.65Å; F441-F462 AromaticContact CZ-CE1 3.35Å; F441-F462 HydrophobicContact CZ-CE1 3.35Å; F441-F462 HydrophobicContact CZ-CG 4.35Å; F441-F462 AromaticContact CZ-CZ 3.87Å; F441-F462 HydrophobicContact CZ-CZ 3.87Å; F441-F462 VanDerWaalsContact O-CE1 3.22Å; F441-F462 WeakPolarHBondContact O-CE1 3.44Å; F441-L471 HydrophobicContact CB-CD1 3.48Å; F441-L471 VanDerWaalsContact CB-CD1 3.48Å; F441-L471 HydrophobicContact CD1-CD1 3.95Å; F441-L471 HydrophobicContact CD1-CD2 3.83Å; F441-L471 HydrophobicContact CD2-CD1 4.29Å; F441-L471 HydrophobicContact CE1-CD2 4.21Å; F441-L471 HydrophobicContact CG-CD1 3.65Å; F441-L471 HydrophobicContact CG-CD2 4.37Å |
| 442 | I | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 177.9 | -66.8 | 159.9 | 0 | 0 | 0 | 111 | S438 V439 S444 L445 F446 I459 V463 V475 F485 I486 F493 | S438-I442 WeakPolarHBondContact O-CG1 3.26Å; S438-I442 PolarHBondContact O-N 3.31Å; V439-I442 PolarHBondContact O-N 3.32Å; I442-S444 PolarHBondContact O-N 3.15Å; I442-L445 WeakPolarHBondContact O-CB 3.14Å; I442-L445 PolarHBondContact O-N 3.41Å; I442-F446 HydrophobicContact CG2-CE2 4.17Å; I442-F446 WeakPolarHBondContact O-CD2 3.12Å; I442-I459 HydrophobicContact CG1-CG2 4.43Å; I442-I459 HydrophobicContact CG2-CD1 4.27Å; I442-I459 HydrophobicContact CG2-CG2 4.41Å; I442-V463 HydrophobicContact CG1-CG2 4.42Å; I442-V475 HydrophobicContact CD1-CG1 4.1Å; I442-V475 HydrophobicContact CD1-CG2 4.34Å; I442-F485 HydrophobicContact CD1-CD1 3.99Å; I442-F485 HydrophobicContact CD1-CE1 3.57Å; I442-I486 HydrophobicContact CD1-CD1 3.95Å; I442-I486 HydrophobicContact CG2-CD1 4.09Å; I442-F493 HydrophobicContact CB-CZ 4.22Å; I442-F493 HydrophobicContact CG2-CE1 3.85Å; I442-F493 HydrophobicContact CG2-CE2 4.42Å; I442-F493 HydrophobicContact CG2-CZ 3.62Å |
| 443 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -28.7 | 176.1 | -71.6 | 175.2 | 0 | 0 | 0 | 112.9 | V439 N440 F441 L445 F446 R447 I492 F493 L503 F585 Y587 F590 | V439-L443 HydrophobicContact CG1-CD1 3.83Å; V439-L443 HydrophobicContact CG1-CG 4.3Å; V439-L443 WeakPolarHBondContact O-CB 3.44Å; V439-L443 VanDerWaalsContact O-CG 3.3Å; V439-L443 WeakPolarHBondContact O-CG 3.43Å; V439-L443 PolarHBondContact O-N 3.34Å; N440-L443 PolarHBondContact O-N 3.44Å; F441-L443 PolarHBondContact O-N 3.43Å; L443-L445 PolarHBondContact O-N 3.27Å; L443-F446 PolarHBondContact O-N 3.48Å; L443-F446 VanDerWaalsContact O-N 3.17Å; L443-R447 PolarHBondContact O-N 3.39Å; L443-I492 HydrophobicContact CD2-CG2 4.13Å; L443-F493 HydrophobicContact CD2-CE1 3.7Å; L443-F493 HydrophobicContact CD2-CZ 3.88Å; L443-F493 HydrophobicContact CG-CE1 4.37Å; L443-F493 HydrophobicContact CG-CZ 4.08Å; L443-L503 HydrophobicContact CD2-CD2 3.67Å; L443-F585 HydrophobicContact CD1-CD1 3.86Å; L443-F585 HydrophobicContact CD1-CE1 3.06Å; L443-F585 HydrophobicContact CD1-CE2 4.21Å; L443-F585 HydrophobicContact CD1-CZ 3.28Å; L443-Y587 HydrophobicContact CD2-CE2 4.39Å; L443-F590 HydrophobicContact CB-CD2 4.3Å; L443-F590 HydrophobicContact CB-CE1 4.29Å; L443-F590 HydrophobicContact CB-CE2 3.75Å; L443-F590 HydrophobicContact CB-CZ 3.75Å; L443-F590 HydrophobicContact CD1-CD1 4.34Å; L443-F590 HydrophobicContact CD1-CE1 4.49Å; L443-F590 HydrophobicContact CD1-CG 4.39Å; L443-F590 HydrophobicContact CD2-CD1 4.27Å; L443-F590 HydrophobicContact CD2-CE1 3.74Å; L443-F590 HydrophobicContact CD2-CZ 3.99Å; L443-F590 HydrophobicContact CG-CE1 4.4Å; L443-F590 HydrophobicContact CG-CZ 4.35Å; L443-F590 WeakPolarHBondContact O-CZ 3.14Å |
| 444 | S | 95.7 | Very high | 92.3 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -25.8 | 173.4 | 88 | 0 | 0 | 0 | 0 | 113 | N440 F441 I442 R447 K448 F462 | N440-S444 WeakPolarHBondContact O-CB 3.27Å; N440-S444 PolarHBondContact O-N 3.05Å; F441-S444 VanDerWaalsContact O-CB 3.24Å; F441-S444 WeakPolarHBondContact O-CB 3.07Å; F441-S444 PolarHBondContact O-N 2.82Å; F441-S444 PolarHBondContact O-OG 3.3Å; I442-S444 PolarHBondContact O-N 3.15Å; S444-R447 PolarHBondContact O-N 3.47Å; S444-K448 WeakPolarHBondContact O-CB 3.45Å; S444-K448 VanDerWaalsContact O-CG 3.23Å; S444-K448 WeakPolarHBondContact O-CG 3.46Å; S444-K448 PolarHBondContact O-N 2.99Å; S444-F462 WeakPolarHBondContact OG-CZ 3.37Å |
| 445 | L | 96.7 | Very high | 92.9 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -50.1 | 172.2 | 177.8 | 61.7 | 0 | 0 | 0 | 110.5 | I442 L443 R447 K448 A449 A458 I459 F462 | I442-L445 WeakPolarHBondContact O-CB 3.14Å; I442-L445 PolarHBondContact O-N 3.41Å; L443-L445 PolarHBondContact O-N 3.27Å; L445-R447 VanDerWaalsContact C-N 3.34Å; L445-R447 PolarHBondContact O-N 3.47Å; L445-K448 PolarHBondContact O-N 3.05Å; L445-A449 WeakPolarHBondContact O-CB 3.38Å; L445-A449 PolarHBondContact O-N 3.03Å; L445-A458 HydrophobicContact CD2-CB 4.34Å; L445-I459 HydrophobicContact CD2-CG1 3.89Å; L445-F462 HydrophobicContact CB-CD1 3.94Å; L445-F462 HydrophobicContact CB-CD2 4.49Å; L445-F462 HydrophobicContact CB-CE1 4.03Å; L445-F462 HydrophobicContact CB-CG 4.19Å; L445-F462 HydrophobicContact CB-CZ 4.32Å; L445-F462 HydrophobicContact CD1-CB 4.4Å; L445-F462 HydrophobicContact CD1-CD2 3.8Å; L445-F462 HydrophobicContact CD1-CE2 4.2Å; L445-F462 HydrophobicContact CD1-CG 4.03Å; L445-F462 HydrophobicContact CD2-CB 4.12Å; L445-F462 HydrophobicContact CD2-CG 4.27Å; L445-F462 HydrophobicContact CG-CG 4.39Å |
| 446 | F | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 177.8 | -66.1 | -94.2 | 0 | 0 | 0 | 111.3 | I442 L443 K448 A449 K450 T451 C454 I459 F493 V501 L503 | I442-F446 HydrophobicContact CG2-CE2 4.17Å; I442-F446 WeakPolarHBondContact O-CD2 3.12Å; L443-F446 PolarHBondContact O-N 3.48Å; L443-F446 VanDerWaalsContact O-N 3.17Å; F446-K448 PolarHBondContact O-N 2.99Å; F446-A449 PolarHBondContact O-N 3.34Å; F446-K450 WeakPolarHBondContact O-CA 3.44Å; F446-K450 PolarHBondContact O-N 3.16Å; F446-T451 WeakPolarHBondContact CD1-O 3.28Å; F446-T451 PolarHBondContact O-N 2.69Å; F446-C454 HydrophobicContact CE1-CB 4.39Å; F446-C454 WeakPolarHBondContact CZ-SG 3.41Å; F446-I459 HydrophobicContact CE2-CD1 4.46Å; F446-I459 HydrophobicContact CZ-CD1 4.47Å; F446-F493 HydrophobicContact CE2-CD1 4.3Å; F446-F493 AromaticContact CE2-CE1 3.88Å; F446-F493 HydrophobicContact CE2-CE1 3.88Å; F446-F493 HydrophobicContact CZ-CD1 4.42Å; F446-F493 HydrophobicContact CZ-CE1 4.43Å; F446-V501 HydrophobicContact CZ-CB 4.49Å; F446-V501 HydrophobicContact CZ-CG1 4.15Å; F446-L503 HydrophobicContact CB-CD1 3.98Å; F446-L503 HydrophobicContact CD1-CD1 3.92Å; F446-L503 HydrophobicContact CD1-CD2 3.99Å; F446-L503 HydrophobicContact CD1-CG 3.68Å; F446-L503 HydrophobicContact CD2-CD2 4.06Å; F446-L503 HydrophobicContact CE1-CD2 4Å; F446-L503 HydrophobicContact CE1-CG 3.89Å; F446-L503 HydrophobicContact CE2-CD2 4.09Å; F446-L503 HydrophobicContact CG-CD1 4Å; F446-L503 HydrophobicContact CG-CD2 4.01Å; F446-L503 HydrophobicContact CG-CG 4.05Å; F446-L503 HydrophobicContact CZ-CD2 4.05Å; F446-L503 HydrophobicContact CZ-CG 4.45Å |
| 447 | R | 93.9 | Very high | 93.7 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.6 | -172.3 | -170 | -69.2 | 121.7 | -12.4 | 112.6 | L443 S444 L445 K450 F590 E593 T594 | L443-R447 PolarHBondContact O-N 3.39Å; S444-R447 PolarHBondContact O-N 3.47Å; L445-R447 VanDerWaalsContact C-N 3.34Å; L445-R447 PolarHBondContact O-N 3.47Å; R447-K450 PolarHBondContact O-N 2.76Å; R447-F590 HydrophobicContact CB-CE2 4.19Å; R447-E593 IonicContact NH2-OE2 2.75Å; R447-T594 HydrophobicContact CB-CG2 3.95Å; R447-T594 HydrophobicContact CG-CG2 3.91Å |
| 448 | K | 93.4 | Very high | 94 | Very high | 152 Ų | 152 | 45 Ų | 45 | 66% | 0.661 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.8 | -39.6 | 179.1 | -74.5 | 171.2 | -176.7 | 174.7 | 0 | 111.9 | S444 L445 F446 K450 | S444-K448 WeakPolarHBondContact O-CB 3.45Å; S444-K448 VanDerWaalsContact O-CG 3.23Å; S444-K448 WeakPolarHBondContact O-CG 3.46Å; S444-K448 PolarHBondContact O-N 2.99Å; L445-K448 PolarHBondContact O-N 3.05Å; F446-K448 PolarHBondContact O-N 2.99Å; K448-K450 VanDerWaalsContact C-N 3.29Å |
| 449 | A | 91.5 | Very high | 94.2 | Very high | 54 Ų | 54 | 45 Ų | 45 | 45% | 0.446 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.1 | -20.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L445 F446 T451 | L445-A449 WeakPolarHBondContact O-CB 3.38Å; L445-A449 PolarHBondContact O-N 3.03Å; F446-A449 PolarHBondContact O-N 3.34Å; A449-T451 HydrophobicContact CB-CG2 4.27Å; A449-T451 PolarHBondContact O-N 3.05Å |
| 450 | K | 89.3 | Confident | 94.4 | Very high | 171 Ų | 171 | 46.4 Ų | 46.4 | 74% | 0.743 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 36.8 | -168.9 | -59.6 | -174.9 | 177.4 | -175.2 | 0 | 112 | F446 R447 K448 | F446-K450 WeakPolarHBondContact O-CA 3.44Å; F446-K450 PolarHBondContact O-N 3.16Å; R447-K450 PolarHBondContact O-N 2.76Å; K448-K450 VanDerWaalsContact C-N 3.29Å |
| 451 | T | 90.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | trans | -123 | 152 | 176.3 | 64.8 | 0 | 0 | 0 | 0 | 109.9 | F446 A449 E453 F595 | F446-T451 WeakPolarHBondContact CD1-O 3.28Å; F446-T451 PolarHBondContact O-N 2.69Å; A449-T451 HydrophobicContact CB-CG2 4.27Å; A449-T451 PolarHBondContact O-N 3.05Å; T451-E453 VanDerWaalsContact C-N 3.32Å; T451-E453 WeakPolarHBondContact CB-O 3.25Å; T451-E453 PolarHBondContact OG1-O 3.26Å; T451-F595 VanDerWaalsContact O-CZ 3.31Å; T451-F595 WeakPolarHBondContact O-CZ 3.46Å | ||
| 452 | T | 90.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 47 Ų | 47 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -93 | 1 | 175.3 | 58 | 0 | 0 | 0 | 0 | 112.1 | C502 L503 F595 M603 | T452-C502 CarbonylContact O-C 3.51Å; T452-C502 WeakPolarHBondContact O-CA 3.23Å; T452-L503 PolarHBondContact O-N 3.09Å; T452-F595 HydrophobicContact CG2-CD1 4.03Å; T452-F595 HydrophobicContact CG2-CD2 4.4Å; T452-F595 HydrophobicContact CG2-CE1 3.84Å; T452-F595 HydrophobicContact CG2-CE2 4.23Å; T452-F595 HydrophobicContact CG2-CG 4.31Å; T452-F595 HydrophobicContact CG2-CZ 3.94Å; T452-M603 VanDerWaalsContact CB-SD 3.52Å; T452-M603 HydrophobicContact CG2-CG 3.81Å; T452-M603 HydrophobicContact CG2-SD 3.35Å; T452-M603 WeakPolarHBondContact CG2-SD 3.32Å |
| 453 | E | 92.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 47 Ų | 47 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 147.9 | -178.6 | 69.8 | -160.6 | 155.9 | 0 | 0 | 110.7 | T451 V500 V501 R606 Y607 | T451-E453 VanDerWaalsContact C-N 3.32Å; T451-E453 WeakPolarHBondContact CB-O 3.25Å; T451-E453 PolarHBondContact OG1-O 3.26Å; E453-V500 HydrophobicContact CB-CG1 3.94Å; E453-V500 HydrophobicContact CG-CG1 4.46Å; E453-V501 CarbonylContact C-O 3.58Å; E453-V501 WeakPolarHBondContact CA-O 3.29Å; E453-R606 IonicContact OE1-NH1 2.85Å; E453-R606 PolarHBondContact OE1-NH1 3.39Å; E453-Y607 VanDerWaalsContact OE2-CE2 3.25Å; E453-Y607 WeakPolarHBondContact OE2-CE2 3.29Å; E453-Y607 PolarHBondContact OE2-OH 2.65Å |
| 454 | C | 94.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 154.6 | 169.7 | 68.5 | 0 | 0 | 0 | 0 | 110.3 | F446 A458 V501 | F446-C454 HydrophobicContact CE1-CB 4.39Å; F446-C454 WeakPolarHBondContact CZ-SG 3.41Å; C454-A458 HydrophobicContact CB-CB 4.42Å; C454-V501 PolarHBondContact N-O 3.34Å; C454-V501 PolarHBondContact O-N 3.5Å |
| 455 | H | 96.5 | Very high | 94.1 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 40% | 0.398 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 143.1 | 173.2 | -168.6 | -92.4 | 0 | 0 | 0 | 110.3 | S457 A458 | H455-S457 WeakPolarHBondContact ND1-CB 3.25Å; H455-S457 PolarHBondContact ND1-N 2.77Å; H455-S457 PolarHBondContact ND1-OG 3.15Å; H455-S457 PolarHBondContact O-N 3.24Å; H455-S457 VanDerWaalsContact O-N 3.12Å; H455-A458 WeakPolarHBondContact O-CA 3.41Å; H455-A458 WeakPolarHBondContact O-CB 3.31Å; H455-A458 PolarHBondContact O-N 2.58Å |
| 456 | L | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -31.8 | -177.1 | -175.6 | 65.9 | 0 | 0 | 0 | 112.8 | A458 I459 H460 R483 I486 D499 V501 | L456-A458 PolarHBondContact O-N 2.76Å; L456-I459 HydrophobicContact CD1-CD1 4.45Å; L456-I459 WeakPolarHBondContact O-CB 3.4Å; L456-I459 PolarHBondContact O-N 3.45Å; L456-I459 VanDerWaalsContact O-N 3.08Å; L456-H460 PolarHBondContact O-N 3.47Å; L456-R483 HydrophobicContact CD2-CB 3.9Å; L456-R483 HydrophobicContact CD2-CG 3.88Å; L456-R483 VanDerWaalsContact CD2-CZ 3.46Å; L456-I486 HydrophobicContact CD1-CG1 4.32Å; L456-D499 HydrophobicContact CB-CB 4.19Å; L456-D499 VanDerWaalsContact CB-O 3.29Å; L456-D499 WeakPolarHBondContact CB-O 3.43Å; L456-D499 PolarHBondContact N-O 2.58Å; L456-V501 HydrophobicContact CB-CG2 4.01Å; L456-V501 HydrophobicContact CD1-CG2 3.71Å; L456-V501 HydrophobicContact CG-CG2 4.45Å |
| 457 | S | 95.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 46% | 0.462 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.3 | -31.3 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | H455 H460 C461 | H455-S457 WeakPolarHBondContact ND1-CB 3.25Å; H455-S457 PolarHBondContact ND1-N 2.77Å; H455-S457 PolarHBondContact ND1-OG 3.15Å; H455-S457 PolarHBondContact O-N 3.24Å; H455-S457 VanDerWaalsContact O-N 3.12Å; S457-H460 PolarHBondContact O-N 3.37Å; S457-C461 WeakPolarHBondContact O-CB 3.44Å; S457-C461 PolarHBondContact O-N 3.1Å |
| 458 | A | 97 | Very high | 93.5 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L445 C454 H455 L456 C461 F462 | L445-A458 HydrophobicContact CD2-CB 4.34Å; C454-A458 HydrophobicContact CB-CB 4.42Å; H455-A458 WeakPolarHBondContact O-CA 3.41Å; H455-A458 WeakPolarHBondContact O-CB 3.31Å; H455-A458 PolarHBondContact O-N 2.58Å; L456-A458 PolarHBondContact O-N 2.76Å; A458-C461 PolarHBondContact O-N 2.89Å; A458-F462 VanDerWaalsContact O-CB 3.23Å; A458-F462 WeakPolarHBondContact O-CB 3.48Å; A458-F462 PolarHBondContact O-N 3.37Å |
| 459 | I | 97.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 174.1 | -60.1 | -179.9 | 0 | 0 | 0 | 110.4 | I442 L445 F446 L456 C461 F462 V463 I486 V501 | I442-I459 HydrophobicContact CG1-CG2 4.43Å; I442-I459 HydrophobicContact CG2-CD1 4.27Å; I442-I459 HydrophobicContact CG2-CG2 4.41Å; L445-I459 HydrophobicContact CD2-CG1 3.89Å; F446-I459 HydrophobicContact CE2-CD1 4.46Å; F446-I459 HydrophobicContact CZ-CD1 4.47Å; L456-I459 HydrophobicContact CD1-CD1 4.45Å; L456-I459 WeakPolarHBondContact O-CB 3.4Å; L456-I459 PolarHBondContact O-N 3.45Å; L456-I459 VanDerWaalsContact O-N 3.08Å; I459-C461 VanDerWaalsContact C-N 3.32Å; I459-C461 PolarHBondContact O-N 2.78Å; I459-F462 PolarHBondContact O-N 2.75Å; I459-F462 VanDerWaalsContact O-N 3.17Å; I459-V463 HydrophobicContact CG2-CG2 4.13Å; I459-V463 WeakPolarHBondContact O-CG2 3.38Å; I459-V463 PolarHBondContact O-N 3.31Å; I459-I486 HydrophobicContact CD1-CD1 3.97Å; I459-I486 HydrophobicContact CD1-CG1 4.23Å; I459-I486 HydrophobicContact CG2-CD1 4.26Å; I459-I486 HydrophobicContact CG2-CG1 4.44Å; I459-V501 HydrophobicContact CD1-CB 4.02Å; I459-V501 HydrophobicContact CD1-CG1 3.99Å; I459-V501 HydrophobicContact CD1-CG2 3.87Å |
| 460 | H | 96.5 | Very high | 93.1 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 176.7 | -63.1 | -20.7 | 0 | 0 | 0 | 112 | L456 S457 S464 S479 R482 | L456-H460 PolarHBondContact O-N 3.47Å; S457-H460 PolarHBondContact O-N 3.37Å; H460-S464 WeakPolarHBondContact O-CB 3.42Å; H460-S464 PolarHBondContact O-N 3.26Å; H460-S464 VanDerWaalsContact O-N 3.1Å; H460-S464 PolarHBondContact O-OG 2.74Å; H460-S479 PolarHBondContact CE1-O 2.97Å; H460-S479 VanDerWaalsContact CE1-O 3.22Å; H460-S479 WeakPolarHBondContact NE2-CB 3.19Å; H460-R482 PolarHBondContact O-NH1 2.92Å |
| 461 | C | 95.5 | Very high | 93.1 | Very high | 72 Ų | 72 | 52 Ų | 52 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | S457 A458 I459 S464 N465 | S457-C461 WeakPolarHBondContact O-CB 3.44Å; S457-C461 PolarHBondContact O-N 3.1Å; A458-C461 PolarHBondContact O-N 2.89Å; I459-C461 VanDerWaalsContact C-N 3.32Å; I459-C461 PolarHBondContact O-N 2.78Å; C461-S464 PolarHBondContact O-N 3.25Å; C461-N465 PolarHBondContact O-N 3.06Å; C461-N465 VanDerWaalsContact O-N 3.08Å; C461-N465 PolarHBondContact O-ND2 2.88Å; C461-N465 PolarHBondContact SG-ND2 2.86Å; C461-N465 VanDerWaalsContact SG-ND2 3.36Å |
| 462 | F | 97.1 | Very high | 93 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | -177.8 | -164.3 | -109.1 | 0 | 0 | 0 | 112.6 | F441 S444 L445 A458 I459 N465 S466 | F441-F462 AromaticContact CD1-CD1 3.82Å; F441-F462 HydrophobicContact CD1-CD1 3.82Å; F441-F462 AromaticContact CD1-CE1 3.67Å; F441-F462 HydrophobicContact CD1-CE1 3.67Å; F441-F462 HydrophobicContact CD2-CE1 4.12Å; F441-F462 AromaticContact CE1-CD1 3.26Å; F441-F462 HydrophobicContact CE1-CD1 3.26Å; F441-F462 AromaticContact CE1-CE1 3.3Å; F441-F462 HydrophobicContact CE1-CE1 3.3Å; F441-F462 HydrophobicContact CE1-CG 4.16Å; F441-F462 HydrophobicContact CE1-CZ 4.27Å; F441-F462 WeakPolarHBondContact CE1-O 3.42Å; F441-F462 AromaticContact CE2-CE1 3.8Å; F441-F462 HydrophobicContact CE2-CE1 3.8Å; F441-F462 HydrophobicContact CE2-CZ 4.1Å; F441-F462 HydrophobicContact CG-CE1 4.05Å; F441-F462 AromaticContact CZ-CD1 3.65Å; F441-F462 HydrophobicContact CZ-CD1 3.65Å; F441-F462 AromaticContact CZ-CE1 3.35Å; F441-F462 HydrophobicContact CZ-CE1 3.35Å; F441-F462 HydrophobicContact CZ-CG 4.35Å; F441-F462 AromaticContact CZ-CZ 3.87Å; F441-F462 HydrophobicContact CZ-CZ 3.87Å; F441-F462 VanDerWaalsContact O-CE1 3.22Å; F441-F462 WeakPolarHBondContact O-CE1 3.44Å; S444-F462 WeakPolarHBondContact OG-CZ 3.37Å; L445-F462 HydrophobicContact CB-CD1 3.94Å; L445-F462 HydrophobicContact CB-CD2 4.49Å; L445-F462 HydrophobicContact CB-CE1 4.03Å; L445-F462 HydrophobicContact CB-CG 4.19Å; L445-F462 HydrophobicContact CB-CZ 4.32Å; L445-F462 HydrophobicContact CD1-CB 4.4Å; L445-F462 HydrophobicContact CD1-CD2 3.8Å; L445-F462 HydrophobicContact CD1-CE2 4.2Å; L445-F462 HydrophobicContact CD1-CG 4.03Å; L445-F462 HydrophobicContact CD2-CB 4.12Å; L445-F462 HydrophobicContact CD2-CG 4.27Å; L445-F462 HydrophobicContact CG-CG 4.39Å; A458-F462 VanDerWaalsContact O-CB 3.23Å; A458-F462 WeakPolarHBondContact O-CB 3.48Å; A458-F462 PolarHBondContact O-N 3.37Å; I459-F462 PolarHBondContact O-N 2.75Å; I459-F462 VanDerWaalsContact O-N 3.17Å; F462-N465 CarbonylContact O-C 3.52Å; F462-N465 PolarHBondContact O-N 3.28Å; F462-S466 PolarHBondContact O-N 3.39Å |
| 463 | V | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | I442 I459 N465 S466 L471 Y472 V475 | I442-V463 HydrophobicContact CG1-CG2 4.42Å; I459-V463 HydrophobicContact CG2-CG2 4.13Å; I459-V463 WeakPolarHBondContact O-CG2 3.38Å; I459-V463 PolarHBondContact O-N 3.31Å; V463-N465 PolarHBondContact O-N 2.94Å; V463-S466 VanDerWaalsContact O-CB 3.28Å; V463-S466 WeakPolarHBondContact O-CB 3.4Å; V463-S466 PolarHBondContact O-N 3.42Å; V463-S466 VanDerWaalsContact O-N 3.17Å; V463-S466 PolarHBondContact O-OG 2.94Å; V463-S466 VanDerWaalsContact O-OG 3.09Å; V463-L471 HydrophobicContact CG1-CD2 4.35Å; V463-Y472 HydrophobicContact CG1-CD2 4.14Å; V463-V475 HydrophobicContact CG1-CB 4.11Å; V463-V475 HydrophobicContact CG1-CG1 4.12Å; V463-V475 HydrophobicContact CG2-CG1 3.88Å |
| 464 | S | 91.5 | Very high | 92.5 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -30.4 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 112.9 | H460 C461 R482 | H460-S464 WeakPolarHBondContact O-CB 3.42Å; H460-S464 PolarHBondContact O-N 3.26Å; H460-S464 VanDerWaalsContact O-N 3.1Å; H460-S464 PolarHBondContact O-OG 2.74Å; C461-S464 PolarHBondContact O-N 3.25Å; S464-R482 PolarHBondContact OG-NH1 3Å |
| 465 | N | 92.7 | Very high | 92.2 | Very high | 96 Ų | 96 | 55.5 Ų | 55.5 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 21.9 | 179 | -64.3 | -64.5 | 0 | 0 | 0 | 112.7 | C461 F462 V463 H467 | C461-N465 PolarHBondContact O-N 3.06Å; C461-N465 VanDerWaalsContact O-N 3.08Å; C461-N465 PolarHBondContact O-ND2 2.88Å; C461-N465 PolarHBondContact SG-ND2 2.86Å; C461-N465 VanDerWaalsContact SG-ND2 3.36Å; F462-N465 CarbonylContact O-C 3.52Å; F462-N465 PolarHBondContact O-N 3.28Å; V463-N465 PolarHBondContact O-N 2.94Å; N465-H467 VanDerWaalsContact C-N 3.29Å; N465-H467 PolarHBondContact O-CD2 2.97Å; N465-H467 PolarHBondContact O-N 3.09Å |
| 466 | S | 91.1 | Very high | 91.7 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | trans | -71.1 | -24.4 | -179.8 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | F462 V463 N468 | F462-S466 PolarHBondContact O-N 3.39Å; V463-S466 VanDerWaalsContact O-CB 3.28Å; V463-S466 WeakPolarHBondContact O-CB 3.4Å; V463-S466 PolarHBondContact O-N 3.42Å; V463-S466 VanDerWaalsContact O-N 3.17Å; V463-S466 PolarHBondContact O-OG 2.94Å; V463-S466 VanDerWaalsContact O-OG 3.09Å; S466-N468 PolarHBondContact O-N 3.07Å; S466-N468 PolarHBondContact OG-N 2.58Å; S466-N468 VanDerWaalsContact OG-N 3.15Å; S466-N468 PolarHBondContact OG-O 2.91Å | ||
| 467 | H | 90.4 | Very high | 91.1 | Very high | 176 Ų | 176 | 54.1 Ų | 54.1 | 82% | 0.815 | 30% | 0.296 | S | S | * | . | trans | 53.3 | 16.6 | -167.9 | -53.6 | -69.6 | 0 | 0 | 0 | 114 | N465 | N465-H467 VanDerWaalsContact C-N 3.29Å; N465-H467 PolarHBondContact O-CD2 2.97Å; N465-H467 PolarHBondContact O-N 3.09Å | ||
| 468 | N | 90 | Very high | 90.6 | Very high | 42 Ų | 42 | 54 Ų | 54 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | trans | -116.6 | 103.7 | 175.3 | -179 | -24 | 0 | 0 | 0 | 108.3 | E437 S466 S470 L471 Y472 | E437-N468 PolarHBondContact OE1-ND2 3.35Å; S466-N468 PolarHBondContact O-N 3.07Å; S466-N468 PolarHBondContact OG-N 2.58Å; S466-N468 VanDerWaalsContact OG-N 3.15Å; S466-N468 PolarHBondContact OG-O 2.91Å; N468-S470 PolarHBondContact O-N 2.95Å; N468-S470 WeakPolarHBondContact OD1-CB 3.37Å; N468-S470 PolarHBondContact OD1-N 3.37Å; N468-S470 VanDerWaalsContact OD1-N 3.08Å; N468-L471 HydrophobicContact CB-CB 3.98Å; N468-L471 PolarHBondContact O-N 3.25Å; N468-L471 PolarHBondContact OD1-N 3.38Å; N468-Y472 VanDerWaalsContact O-CB 3.28Å; N468-Y472 WeakPolarHBondContact O-CB 3.33Å; N468-Y472 PolarHBondContact O-N 3.11Å | ||
| 469 | H | 87.8 | Confident | 90.3 | Very high | 147 Ų | 147 | 55.6 Ų | 55.6 | 68% | 0.681 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | -178 | -77.8 | -73.4 | 0 | 0 | 0 | 112.7 | L471 Y472 N473 | H469-L471 PolarHBondContact O-N 2.86Å; H469-Y472 PolarHBondContact O-N 3.37Å; H469-N473 VanDerWaalsContact O-CB 3.3Å; H469-N473 WeakPolarHBondContact O-CB 3.35Å; H469-N473 PolarHBondContact O-N 3.38Å; H469-N473 PolarHBondContact O-ND2 3.19Å |
| 470 | S | 88.9 | Confident | 89.9 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 54% | 0.538 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 179.1 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | N468 N473 Y474 | N468-S470 PolarHBondContact O-N 2.95Å; N468-S470 WeakPolarHBondContact OD1-CB 3.37Å; N468-S470 PolarHBondContact OD1-N 3.37Å; N468-S470 VanDerWaalsContact OD1-N 3.08Å; S470-N473 PolarHBondContact O-N 3.02Å; S470-Y474 VanDerWaalsContact O-CB 3.23Å; S470-Y474 WeakPolarHBondContact O-CB 3.38Å; S470-Y474 PolarHBondContact O-N 3Å |
| 471 | L | 89.9 | Confident | 89.4 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 177.2 | 179.9 | 154.3 | 0 | 0 | 0 | 111.3 | I434 E437 F441 V463 N468 H469 N473 Y474 V475 | I434-L471 HydrophobicContact CD1-CB 4.26Å; E437-L471 HydrophobicContact CG-CD1 4.33Å; F441-L471 HydrophobicContact CB-CD1 3.48Å; F441-L471 VanDerWaalsContact CB-CD1 3.48Å; F441-L471 HydrophobicContact CD1-CD1 3.95Å; F441-L471 HydrophobicContact CD1-CD2 3.83Å; F441-L471 HydrophobicContact CD2-CD1 4.29Å; F441-L471 HydrophobicContact CE1-CD2 4.21Å; F441-L471 HydrophobicContact CG-CD1 3.65Å; F441-L471 HydrophobicContact CG-CD2 4.37Å; V463-L471 HydrophobicContact CG1-CD2 4.35Å; N468-L471 HydrophobicContact CB-CB 3.98Å; N468-L471 PolarHBondContact O-N 3.25Å; N468-L471 PolarHBondContact OD1-N 3.38Å; H469-L471 PolarHBondContact O-N 2.86Å; L471-N473 VanDerWaalsContact C-N 3.31Å; L471-N473 PolarHBondContact O-N 3.17Å; L471-Y474 PolarHBondContact O-N 2.79Å; L471-V475 HydrophobicContact CD2-CG2 3.97Å; L471-V475 HydrophobicContact CG-CG2 4.14Å; L471-V475 WeakPolarHBondContact O-CB 3.17Å; L471-V475 VanDerWaalsContact O-CG2 3.28Å; L471-V475 WeakPolarHBondContact O-CG2 3.47Å; L471-V475 PolarHBondContact O-N 3.38Å |
| 472 | Y | 88 | Confident | 89.2 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 178.1 | 177.2 | -90.7 | 0 | 0 | 0 | 111.5 | V463 N468 H469 G476 T477 R482 | V463-Y472 HydrophobicContact CG1-CD2 4.14Å; N468-Y472 VanDerWaalsContact O-CB 3.28Å; N468-Y472 WeakPolarHBondContact O-CB 3.33Å; N468-Y472 PolarHBondContact O-N 3.11Å; H469-Y472 PolarHBondContact O-N 3.37Å; Y472-G476 CarbonylContact O-C 3.48Å; Y472-G476 PolarHBondContact O-N 3.29Å; Y472-T477 HydrophobicContact CD1-CG2 4.21Å; Y472-T477 HydrophobicContact CE1-CG2 3.83Å; Y472-T477 PolarHBondContact OH-O 3.38Å; Y472-R482 PolarHBondContact OH-NH2 2.59Å; Y472-R482 VanDerWaalsContact OH-NH2 3.08Å |
| 473 | N | 84.5 | Confident | 89.2 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 178.8 | -70.2 | -16.3 | 0 | 0 | 0 | 111.6 | H469 S470 L471 | H469-N473 VanDerWaalsContact O-CB 3.3Å; H469-N473 WeakPolarHBondContact O-CB 3.35Å; H469-N473 PolarHBondContact O-N 3.38Å; H469-N473 PolarHBondContact O-ND2 3.19Å; S470-N473 PolarHBondContact O-N 3.02Å; L471-N473 VanDerWaalsContact C-N 3.31Å; L471-N473 PolarHBondContact O-N 3.17Å |
| 474 | Y | 86.9 | Confident | 89.1 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 29% | 0.29 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | -179.1 | -178.8 | -103.6 | 0 | 0 | 0 | 113.2 | I434 E435 S438 S470 L471 G476 F485 R489 | I434-Y474 HydrophobicContact CG1-CD1 4.15Å; I434-Y474 HydrophobicContact CG1-CG 3.95Å; I434-Y474 HydrophobicContact CG2-CD1 3.92Å; I434-Y474 HydrophobicContact CG2-CD2 3.63Å; I434-Y474 HydrophobicContact CG2-CE1 4.05Å; I434-Y474 HydrophobicContact CG2-CE2 3.8Å; I434-Y474 HydrophobicContact CG2-CG 3.69Å; E435-Y474 HydrophobicContact CB-CE1 4.17Å; E435-Y474 WeakPolarHBondContact OE2-CE1 3.43Å; E435-Y474 PolarHBondContact OE2-OH 3.12Å; S438-Y474 WeakPolarHBondContact OG-CD1 3.27Å; S470-Y474 VanDerWaalsContact O-CB 3.23Å; S470-Y474 WeakPolarHBondContact O-CB 3.38Å; S470-Y474 PolarHBondContact O-N 3Å; L471-Y474 PolarHBondContact O-N 2.79Å; Y474-G476 VanDerWaalsContact C-N 3.35Å; Y474-F485 AromaticContact CD1-CE2 3.77Å; Y474-F485 HydrophobicContact CD1-CE2 3.77Å; Y474-F485 HydrophobicContact CD1-CZ 4.41Å; Y474-F485 AromaticContact CE1-CE2 3.48Å; Y474-F485 HydrophobicContact CE1-CE2 3.48Å; Y474-F485 VanDerWaalsContact CE1-CE2 3.48Å; Y474-F485 HydrophobicContact CE1-CZ 4.06Å; Y474-R489 PolarHBondContact OH-NH2 2.96Å |
| 475 | V | 89.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.5 | -35 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | I442 V463 L471 R482 F485 | I442-V475 HydrophobicContact CD1-CG1 4.1Å; I442-V475 HydrophobicContact CD1-CG2 4.34Å; V463-V475 HydrophobicContact CG1-CB 4.11Å; V463-V475 HydrophobicContact CG1-CG1 4.12Å; V463-V475 HydrophobicContact CG2-CG1 3.88Å; L471-V475 HydrophobicContact CD2-CG2 3.97Å; L471-V475 HydrophobicContact CG-CG2 4.14Å; L471-V475 WeakPolarHBondContact O-CB 3.17Å; L471-V475 VanDerWaalsContact O-CG2 3.28Å; L471-V475 WeakPolarHBondContact O-CG2 3.47Å; L471-V475 PolarHBondContact O-N 3.38Å; V475-R482 HydrophobicContact CG1-CG 4.19Å; V475-F485 HydrophobicContact CB-CD2 4.34Å; V475-F485 HydrophobicContact CB-CE2 4.44Å; V475-F485 HydrophobicContact CB-CG 4.45Å; V475-F485 HydrophobicContact CG1-CB 4.33Å; V475-F485 HydrophobicContact CG1-CD1 3.88Å; V475-F485 HydrophobicContact CG1-CD2 4.29Å; V475-F485 HydrophobicContact CG1-CE1 4.29Å; V475-F485 HydrophobicContact CG1-CG 3.9Å; V475-F485 HydrophobicContact CG2-CD2 4.47Å; V475-F485 HydrophobicContact CG2-CE1 4.26Å; V475-F485 HydrophobicContact CG2-CE2 4.09Å; V475-F485 HydrophobicContact CG2-CZ 4Å; V475-F485 WeakPolarHBondContact O-CB 3.26Å |
| 476 | G | 86 | Confident | 89.2 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | trans | 138.3 | 136 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y472 Y474 N478 R482 | Y472-G476 CarbonylContact O-C 3.48Å; Y472-G476 PolarHBondContact O-N 3.29Å; Y474-G476 VanDerWaalsContact C-N 3.35Å; G476-N478 VanDerWaalsContact C-N 3.3Å; G476-N478 PolarHBondContact O-N 3.15Å; G476-R482 WeakPolarHBondContact O-CG 3.38Å; G476-R482 PolarHBondContact O-NE 3.26Å; G476-R482 PolarHBondContact O-NH2 2.8Å | ||
| 477 | T | 84.7 | Confident | 89.3 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -76.2 | -14.9 | -179.7 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | Y472 R482 | Y472-T477 HydrophobicContact CD1-CG2 4.21Å; Y472-T477 HydrophobicContact CE1-CG2 3.83Å; Y472-T477 PolarHBondContact OH-O 3.38Å; T477-R482 PolarHBondContact O-NH2 3.28Å |
| 478 | N | 85.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 55 Ų | 55 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -134.1 | 168.4 | 177.9 | 68.3 | 41.7 | 0 | 0 | 0 | 111.9 | G476 H480 K481 R482 | G476-N478 VanDerWaalsContact C-N 3.3Å; G476-N478 PolarHBondContact O-N 3.15Å; N478-H480 VanDerWaalsContact C-N 3.31Å; N478-H480 PolarHBondContact O-N 3.42Å; N478-H480 WeakPolarHBondContact OD1-CB 3.23Å; N478-H480 PolarHBondContact OD1-N 3.21Å; N478-H480 VanDerWaalsContact OD1-N 3.15Å; N478-K481 PolarHBondContact O-N 2.94Å; N478-K481 WeakPolarHBondContact OD1-CG 3.37Å; N478-K481 PolarHBondContact OD1-N 3.29Å; N478-R482 VanDerWaalsContact O-CG 3.28Å; N478-R482 WeakPolarHBondContact O-CG 3.49Å; N478-R482 PolarHBondContact O-N 3.35Å; N478-R482 VanDerWaalsContact O-N 3.14Å |
| 479 | S | 89.9 | Confident | 89.4 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 49% | 0.49 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | -177.5 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | H460 R482 R483 | H460-S479 PolarHBondContact CE1-O 2.97Å; H460-S479 VanDerWaalsContact CE1-O 3.22Å; H460-S479 WeakPolarHBondContact NE2-CB 3.19Å; S479-R482 PolarHBondContact O-N 3.48Å; S479-R483 PolarHBondContact O-N 3.12Å |
| 480 | H | 88.8 | Confident | 89.6 | Confident | 113 Ų | 113 | 49 Ų | 49 | 52% | 0.523 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 179.3 | -173.6 | 84.1 | 0 | 0 | 0 | 111.7 | N478 R482 R483 Q484 | N478-H480 VanDerWaalsContact C-N 3.31Å; N478-H480 PolarHBondContact O-N 3.42Å; N478-H480 WeakPolarHBondContact OD1-CB 3.23Å; N478-H480 PolarHBondContact OD1-N 3.21Å; N478-H480 VanDerWaalsContact OD1-N 3.15Å; H480-R482 VanDerWaalsContact C-N 3.3Å; H480-R482 PolarHBondContact O-N 2.88Å; H480-R483 WeakPolarHBondContact O-CB 3.27Å; H480-R483 PolarHBondContact O-N 2.62Å; H480-R483 VanDerWaalsContact O-N 3.16Å; H480-Q484 PolarHBondContact O-N 3.14Å |
| 481 | K | 85.8 | Confident | 89.7 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 176.1 | -70.8 | -178.6 | 178.1 | -177.8 | 0 | 111.4 | N478 Q484 F485 | N478-K481 PolarHBondContact O-N 2.94Å; N478-K481 WeakPolarHBondContact OD1-CG 3.37Å; N478-K481 PolarHBondContact OD1-N 3.29Å; K481-Q484 PolarHBondContact O-N 3.31Å; K481-F485 WeakPolarHBondContact O-CB 3.39Å; K481-F485 PolarHBondContact O-N 3.01Å |
| 482 | R | 92.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 176.9 | -65.8 | 175.2 | -166.7 | 152.7 | 14.6 | 112.5 | H460 S464 Y472 V475 G476 T477 N478 S479 H480 Q484 F485 I486 | H460-R482 PolarHBondContact O-NH1 2.92Å; S464-R482 PolarHBondContact OG-NH1 3Å; Y472-R482 PolarHBondContact OH-NH2 2.59Å; Y472-R482 VanDerWaalsContact OH-NH2 3.08Å; V475-R482 HydrophobicContact CG1-CG 4.19Å; G476-R482 WeakPolarHBondContact O-CG 3.38Å; G476-R482 PolarHBondContact O-NE 3.26Å; G476-R482 PolarHBondContact O-NH2 2.8Å; T477-R482 PolarHBondContact O-NH2 3.28Å; N478-R482 VanDerWaalsContact O-CG 3.28Å; N478-R482 WeakPolarHBondContact O-CG 3.49Å; N478-R482 PolarHBondContact O-N 3.35Å; N478-R482 VanDerWaalsContact O-N 3.14Å; S479-R482 PolarHBondContact O-N 3.48Å; H480-R482 VanDerWaalsContact C-N 3.3Å; H480-R482 PolarHBondContact O-N 2.88Å; R482-Q484 VanDerWaalsContact C-N 3.34Å; R482-F485 WeakPolarHBondContact O-CB 3.31Å; R482-F485 PolarHBondContact O-N 3.18Å; R482-I486 WeakPolarHBondContact O-CG1 3.45Å; R482-I486 PolarHBondContact O-N 3.28Å; R482-I486 VanDerWaalsContact O-N 3.13Å |
| 483 | R | 95.3 | Very high | 90 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 172.7 | 179.4 | -173.3 | -74.3 | -88 | 3.2 | 110.1 | L456 S479 H480 F485 I486 A487 I495 D499 | L456-R483 HydrophobicContact CD2-CB 3.9Å; L456-R483 HydrophobicContact CD2-CG 3.88Å; L456-R483 VanDerWaalsContact CD2-CZ 3.46Å; S479-R483 PolarHBondContact O-N 3.12Å; H480-R483 WeakPolarHBondContact O-CB 3.27Å; H480-R483 PolarHBondContact O-N 2.62Å; H480-R483 VanDerWaalsContact O-N 3.16Å; R483-F485 VanDerWaalsContact C-N 3.31Å; R483-F485 PolarHBondContact O-N 3.47Å; R483-I486 PolarHBondContact O-N 3.27Å; R483-A487 WeakPolarHBondContact O-CB 3.39Å; R483-A487 PolarHBondContact O-N 3.45Å; R483-I495 HydrophobicContact CG-CD1 4Å; R483-D499 IonicContact CZ-OD1 3.31Å; R483-D499 IonicContact CZ-OD2 2.93Å; R483-D499 IonicContact NH1-OD1 2.71Å; R483-D499 PolarHBondContact NH1-OD1 2.94Å; R483-D499 IonicContact NH2-OD1 3.96Å; R483-D499 PolarHBondContact NH2-OD1 3.37Å; R483-D499 IonicContact NH2-OD2 3.85Å; R483-D499 PolarHBondContact NH2-OD2 2.91Å |
| 484 | Q | 91.7 | Very high | 90.4 | Very high | 81 Ų | 81 | 40.3 Ų | 40.3 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -40.4 | -179.8 | -171.1 | -179.4 | 2.8 | 0 | 0 | 111.5 | H480 K481 R482 I486 A487 N488 | H480-Q484 PolarHBondContact O-N 3.14Å; K481-Q484 PolarHBondContact O-N 3.31Å; R482-Q484 VanDerWaalsContact C-N 3.34Å; Q484-I486 VanDerWaalsContact C-N 3.34Å; Q484-I486 PolarHBondContact O-N 2.88Å; Q484-A487 PolarHBondContact O-N 3.31Å; Q484-N488 WeakPolarHBondContact O-CB 3.5Å; Q484-N488 PolarHBondContact O-N 2.97Å |
| 485 | F | 91.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.4 | -47.5 | 173.4 | -176.9 | -82.6 | 0 | 0 | 0 | 112 | V439 I442 Y474 V475 K481 R482 R483 R489 | V439-F485 HydrophobicContact CG2-CZ 4.45Å; I442-F485 HydrophobicContact CD1-CD1 3.99Å; I442-F485 HydrophobicContact CD1-CE1 3.57Å; Y474-F485 AromaticContact CD1-CE2 3.77Å; Y474-F485 HydrophobicContact CD1-CE2 3.77Å; Y474-F485 HydrophobicContact CD1-CZ 4.41Å; Y474-F485 AromaticContact CE1-CE2 3.48Å; Y474-F485 HydrophobicContact CE1-CE2 3.48Å; Y474-F485 VanDerWaalsContact CE1-CE2 3.48Å; Y474-F485 HydrophobicContact CE1-CZ 4.06Å; V475-F485 HydrophobicContact CB-CD2 4.34Å; V475-F485 HydrophobicContact CB-CE2 4.44Å; V475-F485 HydrophobicContact CB-CG 4.45Å; V475-F485 HydrophobicContact CG1-CB 4.33Å; V475-F485 HydrophobicContact CG1-CD1 3.88Å; V475-F485 HydrophobicContact CG1-CD2 4.29Å; V475-F485 HydrophobicContact CG1-CE1 4.29Å; V475-F485 HydrophobicContact CG1-CG 3.9Å; V475-F485 HydrophobicContact CG2-CD2 4.47Å; V475-F485 HydrophobicContact CG2-CE1 4.26Å; V475-F485 HydrophobicContact CG2-CE2 4.09Å; V475-F485 HydrophobicContact CG2-CZ 4Å; V475-F485 WeakPolarHBondContact O-CB 3.26Å; K481-F485 WeakPolarHBondContact O-CB 3.39Å; K481-F485 PolarHBondContact O-N 3.01Å; R482-F485 WeakPolarHBondContact O-CB 3.31Å; R482-F485 PolarHBondContact O-N 3.18Å; R483-F485 VanDerWaalsContact C-N 3.31Å; R483-F485 PolarHBondContact O-N 3.47Å; F485-R489 VanDerWaalsContact CE2-NH1 3.32Å; F485-R489 VanDerWaalsContact CG-NH1 3.31Å; F485-R489 PolarHBondContact O-NH1 2.67Å |
| 486 | I | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.3 | -46.8 | 177.3 | -62.3 | -63.6 | 0 | 0 | 0 | 110.8 | I442 L456 I459 R482 R483 Q484 N488 R489 F493 I495 V501 | I442-I486 HydrophobicContact CD1-CD1 3.95Å; I442-I486 HydrophobicContact CG2-CD1 4.09Å; L456-I486 HydrophobicContact CD1-CG1 4.32Å; I459-I486 HydrophobicContact CD1-CD1 3.97Å; I459-I486 HydrophobicContact CD1-CG1 4.23Å; I459-I486 HydrophobicContact CG2-CD1 4.26Å; I459-I486 HydrophobicContact CG2-CG1 4.44Å; R482-I486 WeakPolarHBondContact O-CG1 3.45Å; R482-I486 PolarHBondContact O-N 3.28Å; R482-I486 VanDerWaalsContact O-N 3.13Å; R483-I486 PolarHBondContact O-N 3.27Å; Q484-I486 VanDerWaalsContact C-N 3.34Å; Q484-I486 PolarHBondContact O-N 2.88Å; I486-N488 VanDerWaalsContact C-N 3.3Å; I486-N488 PolarHBondContact O-N 3.15Å; I486-R489 PolarHBondContact O-N 3.29Å; I486-F493 HydrophobicContact CD1-CD2 4.03Å; I486-F493 HydrophobicContact CD1-CE2 4.18Å; I486-F493 HydrophobicContact CD1-CG 4.33Å; I486-F493 HydrophobicContact CG2-CB 3.58Å; I486-F493 HydrophobicContact CG2-CD2 4.41Å; I486-F493 HydrophobicContact CG2-CG 4.08Å; I486-I495 HydrophobicContact CB-CD1 4Å; I486-I495 HydrophobicContact CG2-CD1 3.7Å; I486-I495 HydrophobicContact CG2-CG1 3.69Å; I486-V501 HydrophobicContact CG2-CG1 3.72Å; I486-V501 HydrophobicContact CG2-CG2 4.25Å |
| 487 | A | 92.2 | Very high | 91.1 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.6 | -36.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R483 Q484 R489 I495 | R483-A487 WeakPolarHBondContact O-CB 3.39Å; R483-A487 PolarHBondContact O-N 3.45Å; Q484-A487 PolarHBondContact O-N 3.31Å; A487-R489 PolarHBondContact O-N 3Å; A487-I495 HydrophobicContact CB-CD1 3.96Å |
| 488 | N | 90.5 | Very high | 91.5 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.2 | 178.1 | -71.5 | -7.4 | 0 | 0 | 0 | 113 | Q484 I486 | Q484-N488 WeakPolarHBondContact O-CB 3.5Å; Q484-N488 PolarHBondContact O-N 2.97Å; I486-N488 VanDerWaalsContact C-N 3.3Å; I486-N488 PolarHBondContact O-N 3.15Å |
| 489 | R | 92.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 47.1 | -179.1 | -70.5 | 171.8 | -178.5 | 71.1 | 2.5 | 111.6 | E435 Y474 F485 I486 A487 H491 I492 F493 | E435-R489 IonicContact OE1-CZ 3.36Å; E435-R489 VanDerWaalsContact OE1-CZ 3.29Å; E435-R489 IonicContact OE1-NE 2.68Å; E435-R489 PolarHBondContact OE1-NE 2.99Å; E435-R489 IonicContact OE1-NH2 3.86Å; E435-R489 PolarHBondContact OE1-NH2 3.37Å; E435-R489 IonicContact OE2-CZ 3.68Å; E435-R489 IonicContact OE2-NE 2.89Å; E435-R489 PolarHBondContact OE2-NE 2.94Å; E435-R489 IonicContact OE2-NH2 3.58Å; E435-R489 PolarHBondContact OE2-NH2 2.72Å; Y474-R489 PolarHBondContact OH-NH2 2.96Å; F485-R489 VanDerWaalsContact CE2-NH1 3.32Å; F485-R489 VanDerWaalsContact CG-NH1 3.31Å; F485-R489 PolarHBondContact O-NH1 2.67Å; I486-R489 PolarHBondContact O-N 3.29Å; A487-R489 PolarHBondContact O-N 3Å; R489-H491 PolarHBondContact O-N 3.49Å; R489-I492 PolarHBondContact O-N 2.61Å; R489-F493 HydrophobicContact CB-CD2 3.98Å; R489-F493 PolarHBondContact O-N 3.46Å |
| 490 | R | 91.5 | Very high | 92.2 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 13% | 0.125 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19 | -175.3 | -165.9 | 164.1 | -179.5 | 171.2 | -6.2 | 115.6 | I492 F493 F494 K562 P565 | R490-I492 VanDerWaalsContact C-N 3.27Å; R490-F493 VanDerWaalsContact CA-O 3.26Å; R490-F493 WeakPolarHBondContact CA-O 3.45Å; R490-F494 HydrophobicContact CG-CD2 4.44Å; R490-F494 VanDerWaalsContact NH2-CE2 3.3Å; R490-K562 VanDerWaalsContact CD-O 3.24Å; R490-K562 WeakPolarHBondContact CD-O 3.23Å; R490-K562 PolarHBondContact NE-O 3.15Å; R490-K562 PolarHBondContact NH1-O 3.34Å; R490-K562 PolarHBondContact NH2-O 2.93Å; R490-P565 HydrophobicContact CB-CG 4.2Å |
| 491 | H | 91.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.2 | 174.3 | 59.3 | -63.5 | 0 | 0 | 0 | 113.4 | R489 Y509 C512 I566 | R489-H491 PolarHBondContact O-N 3.49Å; H491-Y509 HydrophobicContact CB-CD2 4.42Å; H491-Y509 AromaticContact CD2-CD2 3.63Å; H491-Y509 AromaticContact CD2-CE2 3.61Å; H491-Y509 WeakPolarHBondContact O-CB 3.22Å; H491-C512 HydrophobicContact CB-CB 3.74Å; H491-I566 HydrophobicContact CB-CD1 3.51Å; H491-I566 WeakPolarHBondContact ND1-CD1 3.1Å |
| 492 | I | 92.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -46 | 179.3 | -58.5 | 174.3 | 0 | 0 | 0 | 110.2 | V439 L443 R489 R490 V504 Y509 Y587 | V439-I492 HydrophobicContact CG1-CD1 3.94Å; L443-I492 HydrophobicContact CD2-CG2 4.13Å; R489-I492 PolarHBondContact O-N 2.61Å; R490-I492 VanDerWaalsContact C-N 3.27Å; I492-V504 PolarHBondContact O-N 2.83Å; I492-Y509 HydrophobicContact CD1-CE2 4.34Å; I492-Y509 HydrophobicContact CG1-CD2 3.92Å; I492-Y509 HydrophobicContact CG1-CE2 4.08Å; I492-Y587 HydrophobicContact CG2-CD2 4.15Å; I492-Y587 HydrophobicContact CG2-CE2 3.83Å |
| 493 | F | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.1 | -174.8 | -53.6 | -69.3 | 0 | 0 | 0 | 111.4 | I442 L443 F446 I486 R489 R490 V501 C502 L503 | I442-F493 HydrophobicContact CB-CZ 4.22Å; I442-F493 HydrophobicContact CG2-CE1 3.85Å; I442-F493 HydrophobicContact CG2-CE2 4.42Å; I442-F493 HydrophobicContact CG2-CZ 3.62Å; L443-F493 HydrophobicContact CD2-CE1 3.7Å; L443-F493 HydrophobicContact CD2-CZ 3.88Å; L443-F493 HydrophobicContact CG-CE1 4.37Å; L443-F493 HydrophobicContact CG-CZ 4.08Å; F446-F493 HydrophobicContact CE2-CD1 4.3Å; F446-F493 AromaticContact CE2-CE1 3.88Å; F446-F493 HydrophobicContact CE2-CE1 3.88Å; F446-F493 HydrophobicContact CZ-CD1 4.42Å; F446-F493 HydrophobicContact CZ-CE1 4.43Å; I486-F493 HydrophobicContact CD1-CD2 4.03Å; I486-F493 HydrophobicContact CD1-CE2 4.18Å; I486-F493 HydrophobicContact CD1-CG 4.33Å; I486-F493 HydrophobicContact CG2-CB 3.58Å; I486-F493 HydrophobicContact CG2-CD2 4.41Å; I486-F493 HydrophobicContact CG2-CG 4.08Å; R489-F493 HydrophobicContact CB-CD2 3.98Å; R489-F493 PolarHBondContact O-N 3.46Å; R490-F493 VanDerWaalsContact CA-O 3.26Å; R490-F493 WeakPolarHBondContact CA-O 3.45Å; F493-V501 HydrophobicContact CB-CG1 3.98Å; F493-V501 HydrophobicContact CD1-CG1 4.16Å; F493-V501 HydrophobicContact CG-CG1 4.41Å; F493-C502 CarbonylContact C-O 3.18Å; F493-C502 WeakPolarHBondContact CA-O 3.44Å; F493-L503 HydrophobicContact CD1-CD2 3.91Å; F493-L503 HydrophobicContact CE1-CD2 3.85Å |
| 494 | F | 92.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 30.9 Ų | 30.9 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.2 | 173.1 | -177 | -120.6 | 0 | 0 | 0 | 109.9 | R490 L496 V501 C502 V504 L611 | R490-F494 HydrophobicContact CG-CD2 4.44Å; R490-F494 VanDerWaalsContact NH2-CE2 3.3Å; F494-L496 HydrophobicContact CD1-CD2 3.76Å; F494-L496 HydrophobicContact CE1-CD2 3.41Å; F494-L496 VanDerWaalsContact CE1-CD2 3.41Å; F494-L496 HydrophobicContact CZ-CD2 4.42Å; F494-V501 CarbonylContact O-C 3.58Å; F494-V501 WeakPolarHBondContact O-CA 3.27Å; F494-C502 PolarHBondContact N-O 3.31Å; F494-C502 PolarHBondContact O-N 3.01Å; F494-V504 HydrophobicContact CB-CG2 3.86Å; F494-L611 HydrophobicContact CD1-CD2 3.77Å; F494-L611 HydrophobicContact CD1-CG 4.41Å; F494-L611 HydrophobicContact CE1-CD2 4.22Å; F494-L611 HydrophobicContact CG-CD2 4.24Å |
| 495 | I | 93.7 | Very high | 92.6 | Very high | 33 Ų | 33 | 27 Ų | 27 | 17% | 0.169 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.1 | 178.6 | -47.9 | -176.8 | 0 | 0 | 0 | 108.7 | R483 I486 A487 V501 | R483-I495 HydrophobicContact CG-CD1 4Å; I486-I495 HydrophobicContact CB-CD1 4Å; I486-I495 HydrophobicContact CG2-CD1 3.7Å; I486-I495 HydrophobicContact CG2-CG1 3.69Å; A487-I495 HydrophobicContact CB-CD1 3.96Å; I495-V501 HydrophobicContact CG1-CG2 4.26Å |
| 496 | L | 92.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | trans | -76.1 | 160.7 | 173 | -63.6 | -177.3 | 0 | 0 | 0 | 111.5 | F494 N498 D499 V500 Y607 E610 | F494-L496 HydrophobicContact CD1-CD2 3.76Å; F494-L496 HydrophobicContact CE1-CD2 3.41Å; F494-L496 VanDerWaalsContact CE1-CD2 3.41Å; F494-L496 HydrophobicContact CZ-CD2 4.42Å; L496-N498 WeakPolarHBondContact CB-OD1 3.4Å; L496-N498 PolarHBondContact O-N 3.18Å; L496-N498 VanDerWaalsContact O-N 3.07Å; L496-D499 PolarHBondContact O-N 3.43Å; L496-V500 HydrophobicContact CB-CB 4.32Å; L496-V500 WeakPolarHBondContact CB-O 3.16Å; L496-V500 HydrophobicContact CD1-CB 4.13Å; L496-V500 HydrophobicContact CD1-CG1 4.27Å; L496-V500 PolarHBondContact N-O 2.85Å; L496-Y607 HydrophobicContact CD1-CD1 4.03Å; L496-Y607 HydrophobicContact CD1-CE1 3.68Å; L496-Y607 HydrophobicContact CD1-CE2 4.38Å; L496-E610 HydrophobicContact CD2-CB 4.18Å | ||
| 497 | P | 91.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 27.4 Ų | 27.4 | 81% | 0.805 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.1 | 180 | -25.8 | 35.3 | 0 | 0 | 0 | 115.1 | D499 | P497-D499 VanDerWaalsContact C-N 3.33Š|
| 498 | N | 92.3 | Very high | 92.2 | Very high | 94 Ų | 94 | 25.6 Ų | 25.6 | 50% | 0.503 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 19.7 | 177 | 65.6 | -7 | 0 | 0 | 0 | 113.3 | L496 V500 | L496-N498 WeakPolarHBondContact CB-OD1 3.4Å; L496-N498 PolarHBondContact O-N 3.18Å; L496-N498 VanDerWaalsContact O-N 3.07Å; N498-V500 PolarHBondContact O-N 3.37Å; N498-V500 WeakPolarHBondContact OD1-CB 3.19Å; N498-V500 WeakPolarHBondContact OD1-CG2 3.48Å; N498-V500 PolarHBondContact OD1-N 3.21Å |
| 499 | D | 94.7 | Very high | 92.3 | Very high | 48 Ų | 48 | 22.1 Ų | 22.1 | 26% | 0.257 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 62.8 | 17.7 | -179.6 | -66.6 | -21.5 | 0 | 0 | 0 | 115.7 | L456 R483 L496 P497 | L456-D499 HydrophobicContact CB-CB 4.19Å; L456-D499 VanDerWaalsContact CB-O 3.29Å; L456-D499 WeakPolarHBondContact CB-O 3.43Å; L456-D499 PolarHBondContact N-O 2.58Å; R483-D499 IonicContact CZ-OD1 3.31Å; R483-D499 IonicContact CZ-OD2 2.93Å; R483-D499 IonicContact NH1-OD1 2.71Å; R483-D499 PolarHBondContact NH1-OD1 2.94Å; R483-D499 IonicContact NH2-OD1 3.96Å; R483-D499 PolarHBondContact NH2-OD1 3.37Å; R483-D499 IonicContact NH2-OD2 3.85Å; R483-D499 PolarHBondContact NH2-OD2 2.91Å; L496-D499 PolarHBondContact O-N 3.43Å; P497-D499 VanDerWaalsContact C-N 3.33Å |
| 500 | V | 95.3 | Very high | 92.2 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 15% | 0.145 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125 | 168.6 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | E453 L496 N498 | E453-V500 HydrophobicContact CB-CG1 3.94Å; E453-V500 HydrophobicContact CG-CG1 4.46Å; L496-V500 HydrophobicContact CB-CB 4.32Å; L496-V500 WeakPolarHBondContact CB-O 3.16Å; L496-V500 HydrophobicContact CD1-CB 4.13Å; L496-V500 HydrophobicContact CD1-CG1 4.27Å; L496-V500 PolarHBondContact N-O 2.85Å; N498-V500 PolarHBondContact O-N 3.37Å; N498-V500 WeakPolarHBondContact OD1-CB 3.19Å; N498-V500 WeakPolarHBondContact OD1-CG2 3.48Å; N498-V500 PolarHBondContact OD1-N 3.21Å |
| 501 | V | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.3 | 174.7 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | F446 E453 C454 L456 I459 I486 F493 F494 I495 | F446-V501 HydrophobicContact CZ-CB 4.49Å; F446-V501 HydrophobicContact CZ-CG1 4.15Å; E453-V501 CarbonylContact C-O 3.58Å; E453-V501 WeakPolarHBondContact CA-O 3.29Å; C454-V501 PolarHBondContact N-O 3.34Å; C454-V501 PolarHBondContact O-N 3.5Å; L456-V501 HydrophobicContact CB-CG2 4.01Å; L456-V501 HydrophobicContact CD1-CG2 3.71Å; L456-V501 HydrophobicContact CG-CG2 4.45Å; I459-V501 HydrophobicContact CD1-CB 4.02Å; I459-V501 HydrophobicContact CD1-CG1 3.99Å; I459-V501 HydrophobicContact CD1-CG2 3.87Å; I486-V501 HydrophobicContact CG2-CG1 3.72Å; I486-V501 HydrophobicContact CG2-CG2 4.25Å; F493-V501 HydrophobicContact CB-CG1 3.98Å; F493-V501 HydrophobicContact CD1-CG1 4.16Å; F493-V501 HydrophobicContact CG-CG1 4.41Å; F494-V501 CarbonylContact O-C 3.58Å; F494-V501 WeakPolarHBondContact O-CA 3.27Å; I495-V501 HydrophobicContact CG1-CG2 4.26Å |
| 502 | C | 93.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.5 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | T452 F493 F494 | T452-C502 CarbonylContact O-C 3.51Å; T452-C502 WeakPolarHBondContact O-CA 3.23Å; F493-C502 CarbonylContact C-O 3.18Å; F493-C502 WeakPolarHBondContact CA-O 3.44Å; F494-C502 PolarHBondContact N-O 3.31Å; F494-C502 PolarHBondContact O-N 3.01Å |
| 503 | L | 93 | Very high | 92.3 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 142.1 | 164.6 | -64.7 | -175.2 | 0 | 0 | 0 | 110.1 | L443 F446 T452 F493 F590 L591 F595 M603 | L443-L503 HydrophobicContact CD2-CD2 3.67Å; F446-L503 HydrophobicContact CB-CD1 3.98Å; F446-L503 HydrophobicContact CD1-CD1 3.92Å; F446-L503 HydrophobicContact CD1-CD2 3.99Å; F446-L503 HydrophobicContact CD1-CG 3.68Å; F446-L503 HydrophobicContact CD2-CD2 4.06Å; F446-L503 HydrophobicContact CE1-CD2 4Å; F446-L503 HydrophobicContact CE1-CG 3.89Å; F446-L503 HydrophobicContact CE2-CD2 4.09Å; F446-L503 HydrophobicContact CG-CD1 4Å; F446-L503 HydrophobicContact CG-CD2 4.01Å; F446-L503 HydrophobicContact CG-CG 4.05Å; F446-L503 HydrophobicContact CZ-CD2 4.05Å; F446-L503 HydrophobicContact CZ-CG 4.45Å; T452-L503 PolarHBondContact O-N 3.09Å; F493-L503 HydrophobicContact CD1-CD2 3.91Å; F493-L503 HydrophobicContact CE1-CD2 3.85Å; L503-F590 HydrophobicContact CD1-CE1 3.95Å; L503-L591 HydrophobicContact CD1-CD2 4.24Å; L503-F595 HydrophobicContact CD1-CE2 3.66Å; L503-F595 HydrophobicContact CD1-CZ 3.89Å; L503-M603 HydrophobicContact CB-CE 3.82Å; L503-M603 HydrophobicContact CB-SD 3.77Å; L503-M603 WeakPolarHBondContact O-CE 3.32Å |
| 504 | V | 90.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -94.4 | 147.1 | -175.1 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | I492 F494 D508 Y587 M603 | I492-V504 PolarHBondContact O-N 2.83Å; F494-V504 HydrophobicContact CB-CG2 3.86Å; V504-D508 HydrophobicContact CG1-CB 3.34Å; V504-Y587 PolarHBondContact N-OH 2.78Å; V504-Y587 VanDerWaalsContact N-OH 3.17Å; V504-Y587 WeakPolarHBondContact O-CE1 3.26Å; V504-Y587 VanDerWaalsContact O-CZ 3.24Å; V504-Y587 PolarHBondContact O-OH 2.8Å; V504-M603 WeakPolarHBondContact O-CE 3.34Å |
| 505 | P | 89.3 | Confident | 92.2 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 156.8 | 176.6 | -25.7 | 35.7 | 0 | 0 | 0 | 113.9 | S507 D508 Y509 L604 | P505-S507 PolarHBondContact O-N 2.96Å; P505-D508 PolarHBondContact O-N 3.44Å; P505-Y509 PolarHBondContact O-N 2.84Å; P505-L604 HydrophobicContact CG-CD1 4.44Å; P505-L604 HydrophobicContact CG-CD2 3.64Å; P505-L604 HydrophobicContact CG-CG 3.76Å |
| 506 | S | 90 | Very high | 92.2 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61 | -34.4 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 112 | Y509 I510 P588 D599 | S506-Y509 PolarHBondContact O-N 3Å; S506-I510 WeakPolarHBondContact O-CB 3.32Å; S506-I510 VanDerWaalsContact O-CG1 3.27Å; S506-I510 WeakPolarHBondContact O-CG1 3.29Å; S506-I510 PolarHBondContact O-N 3.45Å; S506-P588 WeakPolarHBondContact OG-CG 3.3Å; S506-D599 PolarHBondContact N-O 2.96Å; S506-D599 VanDerWaalsContact N-O 3.11Å |
| 507 | S | 90 | Very high | 92 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 179.9 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | P505 G511 | P505-S507 PolarHBondContact O-N 2.96Å; S507-G511 PolarHBondContact O-N 3.2Å |
| 508 | D | 91.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.5 | -68.5 | -106.5 | 0 | 0 | 0 | 110.8 | V504 P505 G511 C512 L548 K562 H563 | V504-D508 HydrophobicContact CG1-CB 3.34Å; P505-D508 PolarHBondContact O-N 3.44Å; D508-G511 PolarHBondContact O-N 3.45Å; D508-C512 WeakPolarHBondContact O-CB 2.99Å; D508-C512 PolarHBondContact O-N 3.49Å; D508-C512 PolarHBondContact O-SG 3.12Å; D508-L548 HydrophobicContact CB-CD2 4.09Å; D508-L548 VanDerWaalsContact CG-CD2 3.47Å; D508-L548 WeakPolarHBondContact OD2-CD2 3.49Å; D508-K562 IonicContact OD1-NZ 3.03Å; D508-K562 PolarHBondContact OD1-NZ 3.07Å; D508-H563 IonicContact OD1-CE1 3.29Å; D508-H563 IonicContact OD1-NE2 2.65Å |
| 509 | Y | 91.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.9 | -52.6 | 177.5 | 174.5 | -98.8 | 0 | 0 | 0 | 111.6 | H491 I492 P505 S506 G511 C512 L513 F585 Y587 | H491-Y509 HydrophobicContact CB-CD2 4.42Å; H491-Y509 AromaticContact CD2-CD2 3.63Å; H491-Y509 AromaticContact CD2-CE2 3.61Å; H491-Y509 WeakPolarHBondContact O-CB 3.22Å; I492-Y509 HydrophobicContact CD1-CE2 4.34Å; I492-Y509 HydrophobicContact CG1-CD2 3.92Å; I492-Y509 HydrophobicContact CG1-CE2 4.08Å; P505-Y509 PolarHBondContact O-N 2.84Å; S506-Y509 PolarHBondContact O-N 3Å; Y509-G511 PolarHBondContact O-N 3.21Å; Y509-C512 PolarHBondContact O-N 3.47Å; Y509-L513 HydrophobicContact CE1-CD2 4.07Å; Y509-L513 VanDerWaalsContact O-CB 3.31Å; Y509-L513 WeakPolarHBondContact O-CB 3.31Å; Y509-L513 PolarHBondContact O-N 2.9Å; Y509-F585 WeakPolarHBondContact CE1-O 3.3Å; Y509-F585 VanDerWaalsContact CZ-O 3.22Å; Y509-F585 WeakPolarHBondContact OH-CA 3.46Å; Y509-F585 PolarHBondContact OH-N 3.27Å; Y509-F585 PolarHBondContact OH-O 2.7Å; Y509-Y587 HydrophobicContact CD1-CD1 4Å; Y509-Y587 HydrophobicContact CD1-CG 4.24Å; Y509-Y587 HydrophobicContact CD2-CD1 4.11Å; Y509-Y587 HydrophobicContact CD2-CG 4.14Å; Y509-Y587 AromaticContact CG-CD1 3.61Å; Y509-Y587 HydrophobicContact CG-CD1 3.61Å; Y509-Y587 HydrophobicContact CG-CE1 4.49Å; Y509-Y587 AromaticContact CG-CG 3.99Å; Y509-Y587 HydrophobicContact CG-CG 3.99Å |
| 510 | I | 90.2 | Very high | 91.6 | Very high | 37 Ų | 37 | 18.9 Ų | 18.9 | 19% | 0.19 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 179.9 | -66.9 | 167.2 | 0 | 0 | 0 | 110.3 | S506 L513 R514 V545 P588 | S506-I510 WeakPolarHBondContact O-CB 3.32Å; S506-I510 VanDerWaalsContact O-CG1 3.27Å; S506-I510 WeakPolarHBondContact O-CG1 3.29Å; S506-I510 PolarHBondContact O-N 3.45Å; I510-L513 PolarHBondContact O-N 3.02Å; I510-R514 HydrophobicContact CG2-CG 4.16Å; I510-R514 WeakPolarHBondContact O-CB 3.37Å; I510-R514 VanDerWaalsContact O-CG 3.23Å; I510-R514 WeakPolarHBondContact O-CG 3.37Å; I510-R514 PolarHBondContact O-N 2.86Å; I510-V545 HydrophobicContact CB-CG2 4.08Å; I510-V545 HydrophobicContact CG2-CG2 3.95Å; I510-P588 HydrophobicContact CD1-CG 4.21Å; I510-P588 HydrophobicContact CG1-CG 4.4Å |
| 511 | G | 92.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S507 D508 Y509 L513 R514 L515 | S507-G511 PolarHBondContact O-N 3.2Å; D508-G511 PolarHBondContact O-N 3.45Å; Y509-G511 PolarHBondContact O-N 3.21Å; G511-L513 PolarHBondContact O-N 3.16Å; G511-R514 PolarHBondContact O-N 3.19Å; G511-L515 WeakPolarHBondContact O-CB 3.4Å; G511-L515 WeakPolarHBondContact O-CG 3.43Å; G511-L515 PolarHBondContact O-N 3.46Å |
| 512 | C | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 176.9 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | H491 D508 Y509 R514 L515 A516 H563 I566 F567 L582 | H491-C512 HydrophobicContact CB-CB 3.74Å; D508-C512 WeakPolarHBondContact O-CB 2.99Å; D508-C512 PolarHBondContact O-N 3.49Å; D508-C512 PolarHBondContact O-SG 3.12Å; Y509-C512 PolarHBondContact O-N 3.47Å; C512-R514 PolarHBondContact O-N 3.03Å; C512-L515 PolarHBondContact O-N 3.17Å; C512-A516 WeakPolarHBondContact O-CB 3.2Å; C512-A516 PolarHBondContact O-N 2.91Å; C512-H563 PolarHBondContact SG-CD2 3.01Å; C512-H563 VanDerWaalsContact SG-CG 3.57Å; C512-I566 HydrophobicContact CB-CD1 4.15Å; C512-F567 HydrophobicContact CB-CE2 4.34Å; C512-F567 HydrophobicContact CB-CZ 4.39Å; C512-L582 HydrophobicContact CB-CD1 4.37Å |
| 513 | L | 90.9 | Very high | 90.7 | Very high | 17 Ų | 17 | 27 Ų | 27 | 9% | 0.089 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | -178.8 | -177.9 | 65.6 | 0 | 0 | 0 | 111.9 | Y509 I510 G511 N517 L582 F584 | Y509-L513 HydrophobicContact CE1-CD2 4.07Å; Y509-L513 VanDerWaalsContact O-CB 3.31Å; Y509-L513 WeakPolarHBondContact O-CB 3.31Å; Y509-L513 PolarHBondContact O-N 2.9Å; I510-L513 PolarHBondContact O-N 3.02Å; G511-L513 PolarHBondContact O-N 3.16Å; L513-N517 VanDerWaalsContact O-CB 3.29Å; L513-N517 WeakPolarHBondContact O-CB 3.46Å; L513-N517 PolarHBondContact O-N 3.2Å; L513-N517 PolarHBondContact O-ND2 2.9Å; L513-L582 HydrophobicContact CD1-CB 4.18Å; L513-F584 HydrophobicContact CD2-CD2 3.9Å; L513-F584 HydrophobicContact CD2-CE2 4.3Å |
| 514 | R | 90.6 | Very high | 90.6 | Very high | 145 Ų | 145 | 27 Ų | 27 | 55% | 0.547 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.5 | -48.3 | 179.1 | -71.2 | -71.6 | -173.2 | 169.9 | 3.5 | 111.7 | I510 G511 C512 N517 V518 W538 | I510-R514 HydrophobicContact CG2-CG 4.16Å; I510-R514 WeakPolarHBondContact O-CB 3.37Å; I510-R514 VanDerWaalsContact O-CG 3.23Å; I510-R514 WeakPolarHBondContact O-CG 3.37Å; I510-R514 PolarHBondContact O-N 2.86Å; G511-R514 PolarHBondContact O-N 3.19Å; C512-R514 PolarHBondContact O-N 3.03Å; R514-N517 PolarHBondContact O-N 3.37Å; R514-V518 PolarHBondContact O-N 3.31Å; R514-W538 HydrophobicContact CB-CH2 4.22Å; R514-W538 HydrophobicContact CB-CZ3 4.06Å |
| 515 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 177.9 | -74.4 | 164.3 | 0 | 0 | 0 | 112.1 | G511 C512 N517 V518 L519 L531 W538 I549 F556 F559 L560 F567 | G511-L515 WeakPolarHBondContact O-CB 3.4Å; G511-L515 WeakPolarHBondContact O-CG 3.43Å; G511-L515 PolarHBondContact O-N 3.46Å; C512-L515 PolarHBondContact O-N 3.17Å; L515-N517 VanDerWaalsContact C-N 3.33Å; L515-N517 PolarHBondContact O-N 3.27Å; L515-V518 PolarHBondContact O-N 3.02Å; L515-L519 PolarHBondContact O-N 3.43Å; L515-L531 HydrophobicContact CD2-CD1 4.08Å; L515-L531 HydrophobicContact CD2-CD2 4.06Å; L515-L531 HydrophobicContact CD2-CG 4.07Å; L515-W538 HydrophobicContact CD2-CH2 3.54Å; L515-W538 HydrophobicContact CD2-CZ2 4.47Å; L515-W538 HydrophobicContact CD2-CZ3 4.09Å; L515-W538 HydrophobicContact CG-CH2 3.87Å; L515-W538 HydrophobicContact CG-CZ3 4.23Å; L515-I549 HydrophobicContact CD1-CD1 4.23Å; L515-F556 HydrophobicContact CD1-CE2 4.31Å; L515-F556 HydrophobicContact CD2-CE2 3.75Å; L515-F556 HydrophobicContact CD2-CZ 3.7Å; L515-F559 HydrophobicContact CD1-CD1 4.05Å; L515-F559 HydrophobicContact CD1-CE1 3.74Å; L515-L560 HydrophobicContact CD1-CD2 4.11Å; L515-F567 HydrophobicContact CB-CE1 3.85Å; L515-F567 HydrophobicContact CB-CZ 3.64Å; L515-F567 HydrophobicContact CD1-CZ 4.41Å |
| 516 | A | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C512 V518 L519 K520 F567 V578 L582 | C512-A516 WeakPolarHBondContact O-CB 3.2Å; C512-A516 PolarHBondContact O-N 2.91Å; A516-V518 VanDerWaalsContact C-N 3.34Å; A516-V518 PolarHBondContact O-N 3.29Å; A516-L519 PolarHBondContact O-N 2.88Å; A516-K520 WeakPolarHBondContact O-CB 3.36Å; A516-K520 VanDerWaalsContact O-CG 3.27Å; A516-K520 WeakPolarHBondContact O-CG 3.21Å; A516-K520 PolarHBondContact O-N 3.19Å; A516-F567 HydrophobicContact CB-CE1 4.19Å; A516-F567 HydrophobicContact CB-CZ 4.48Å; A516-V578 HydrophobicContact CB-CG2 3.86Å; A516-L582 HydrophobicContact CB-CD1 3.58Å; A516-L582 HydrophobicContact CB-CG 4.04Å |
| 517 | N | 89 | Confident | 91.3 | Very high | 62 Ų | 62 | 27.7 Ų | 27.7 | 33% | 0.332 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 178.3 | -75.7 | -18.3 | 0 | 0 | 0 | 112.8 | L513 R514 L515 R521 | L513-N517 VanDerWaalsContact O-CB 3.29Å; L513-N517 WeakPolarHBondContact O-CB 3.46Å; L513-N517 PolarHBondContact O-N 3.2Å; L513-N517 PolarHBondContact O-ND2 2.9Å; R514-N517 PolarHBondContact O-N 3.37Å; L515-N517 VanDerWaalsContact C-N 3.33Å; L515-N517 PolarHBondContact O-N 3.27Å; N517-R521 WeakPolarHBondContact O-CG 3.32Å; N517-R521 PolarHBondContact O-N 3.39Å |
| 518 | V | 90.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 11% | 0.109 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.5 | -48.9 | 172.1 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | R514 L515 A516 K520 R521 Y522 M526 L531 L534 W538 | R514-V518 PolarHBondContact O-N 3.31Å; L515-V518 PolarHBondContact O-N 3.02Å; A516-V518 VanDerWaalsContact C-N 3.34Å; A516-V518 PolarHBondContact O-N 3.29Å; V518-K520 VanDerWaalsContact C-N 3.27Å; V518-K520 PolarHBondContact O-N 3.11Å; V518-R521 WeakPolarHBondContact O-CB 3.34Å; V518-R521 PolarHBondContact O-N 2.87Å; V518-Y522 HydrophobicContact CG1-CD2 4.02Å; V518-Y522 HydrophobicContact CG1-CE2 3.99Å; V518-Y522 WeakPolarHBondContact O-CD2 3.38Å; V518-Y522 PolarHBondContact O-N 2.86Å; V518-M526 HydrophobicContact CG1-SD 4.38Å; V518-L531 HydrophobicContact CB-CD1 4.38Å; V518-L531 HydrophobicContact CG1-CD1 3.86Å; V518-L534 HydrophobicContact CG1-CD1 4.01Å; V518-W538 HydrophobicContact CB-CZ2 3.94Å; V518-W538 HydrophobicContact CG1-CZ2 4.35Å; V518-W538 HydrophobicContact CG2-CH2 4.26Å; V518-W538 HydrophobicContact CG2-CZ2 3.35Å |
| 519 | L | 92.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.5 | -44.3 | 176.5 | -74.5 | 167.8 | 0 | 0 | 0 | 112.4 | L515 A516 R521 Y522 G523 G524 M526 L531 F567 V576 V578 | L515-L519 PolarHBondContact O-N 3.43Å; A516-L519 PolarHBondContact O-N 2.88Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 2.87Å; L519-Y522 CarbonylContact O-C 3.6Å; L519-Y522 PolarHBondContact O-N 3.41Å; L519-G523 PolarHBondContact O-N 2.79Å; L519-G524 VanDerWaalsContact O-CA 3.23Å; L519-G524 WeakPolarHBondContact O-CA 3.48Å; L519-G524 PolarHBondContact O-N 3.46Å; L519-M526 HydrophobicContact CD2-CG 3.7Å; L519-M526 HydrophobicContact CD2-SD 4.18Å; L519-L531 HydrophobicContact CD1-CD2 4.27Å; L519-L531 HydrophobicContact CD2-CD1 4.46Å; L519-L531 HydrophobicContact CD2-CD2 4.19Å; L519-L531 HydrophobicContact CG-CD1 4.36Å; L519-L531 HydrophobicContact CG-CD2 4.25Å; L519-F567 HydrophobicContact CD1-CD1 3.71Å; L519-F567 HydrophobicContact CD1-CE1 3.88Å; L519-V576 HydrophobicContact CD1-CG2 4.47Å; L519-V576 HydrophobicContact CD2-CG1 4.14Å; L519-V576 WeakPolarHBondContact CD2-O 3.44Å; L519-V578 HydrophobicContact CB-CB 4.09Å; L519-V578 HydrophobicContact CB-CG1 4.17Å; L519-V578 HydrophobicContact CD1-CB 4.09Å |
| 520 | K | 88.2 | Confident | 91.9 | Very high | 50 Ų | 50 | 32.6 Ų | 32.6 | 22% | 0.217 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -39.4 | 175.3 | -73.5 | 173.8 | -176 | 178 | 0 | 113.2 | A516 V518 Y522 G523 V578 L582 | A516-K520 WeakPolarHBondContact O-CB 3.36Å; A516-K520 VanDerWaalsContact O-CG 3.27Å; A516-K520 WeakPolarHBondContact O-CG 3.21Å; A516-K520 PolarHBondContact O-N 3.19Å; V518-K520 VanDerWaalsContact C-N 3.27Å; V518-K520 PolarHBondContact O-N 3.11Å; K520-Y522 PolarHBondContact O-N 3.2Å; K520-G523 PolarHBondContact O-N 3.34Å; K520-V578 HydrophobicContact CG-CG1 4.12Å; K520-L582 PolarHBondContact NZ-O 2.95Å |
| 521 | R | 85.4 | Confident | 92.1 | Very high | 177 Ų | 177 | 30.8 Ų | 30.8 | 67% | 0.668 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -67.4 | -24.9 | 176.6 | -72.6 | 178.3 | -174.1 | -177.4 | 0.9 | 113.1 | N517 V518 L519 G523 | N517-R521 WeakPolarHBondContact O-CG 3.32Å; N517-R521 PolarHBondContact O-N 3.39Å; V518-R521 WeakPolarHBondContact O-CB 3.34Å; V518-R521 PolarHBondContact O-N 2.87Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 2.87Å; R521-G523 VanDerWaalsContact C-N 3.32Å |
| 522 | Y | 88.5 | Confident | 92.3 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 25.3 | 177 | -75.2 | -103.8 | 0 | 0 | 0 | 112 | L394 V518 L519 K520 C525 M526 L534 | L394-Y522 HydrophobicContact CD1-CD1 3.57Å; L394-Y522 HydrophobicContact CD1-CD2 4.28Å; L394-Y522 HydrophobicContact CD1-CE1 3.75Å; L394-Y522 HydrophobicContact CD1-CE2 4.45Å; L394-Y522 HydrophobicContact CD1-CG 3.86Å; L394-Y522 HydrophobicContact CD2-CD1 4.4Å; L394-Y522 HydrophobicContact CD2-CE1 3.71Å; L394-Y522 HydrophobicContact CD2-CE2 4.17Å; L394-Y522 HydrophobicContact CG-CE1 4.23Å; V518-Y522 HydrophobicContact CG1-CD2 4.02Å; V518-Y522 HydrophobicContact CG1-CE2 3.99Å; V518-Y522 WeakPolarHBondContact O-CD2 3.38Å; V518-Y522 PolarHBondContact O-N 2.86Å; L519-Y522 CarbonylContact O-C 3.6Å; L519-Y522 PolarHBondContact O-N 3.41Å; K520-Y522 PolarHBondContact O-N 3.2Å; Y522-C525 VanDerWaalsContact O-O 3.14Å; Y522-M526 HydrophobicContact CD1-CE 3.71Å; Y522-M526 HydrophobicContact CD1-SD 4.2Å; Y522-M526 HydrophobicContact CD2-CE 4.37Å; Y522-M526 HydrophobicContact CD2-SD 4.11Å; Y522-M526 HydrophobicContact CE1-CE 3.8Å; Y522-M526 HydrophobicContact CE2-CE 4.45Å; Y522-M526 HydrophobicContact CG-CE 4.02Å; Y522-M526 HydrophobicContact CG-SD 3.89Å; Y522-L534 HydrophobicContact CE2-CD1 3.98Å |
| 523 | G | 90.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 13.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N359 V360 L519 K520 R521 | N359-G523 CarbonylContact C-O 3.47Å; N359-G523 WeakPolarHBondContact CA-O 3.13Å; N359-G523 WeakPolarHBondContact CB-O 3.34Å; V360-G523 PolarHBondContact N-O 2.92Å; L519-G523 PolarHBondContact O-N 2.79Å; K520-G523 PolarHBondContact O-N 3.34Å; R521-G523 VanDerWaalsContact C-N 3.32Å |
| 524 | G | 92.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -14.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L519 G577 V578 | L519-G524 VanDerWaalsContact O-CA 3.23Å; L519-G524 WeakPolarHBondContact O-CA 3.48Å; L519-G524 PolarHBondContact O-N 3.46Å; G524-G577 CarbonylContact O-C 3.43Å; G524-G577 WeakPolarHBondContact O-CA 3.36Å; G524-V578 WeakPolarHBondContact O-CG1 3.46Å; G524-V578 PolarHBondContact O-N 3.24Å |
| 525 | C | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 150.3 | 174.2 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | L361 P388 Y522 F570 V576 | L361-C525 WeakPolarHBondContact CD2-SG 3.36Å; P388-C525 HydrophobicContact CG-CB 4.39Å; Y522-C525 VanDerWaalsContact O-O 3.14Å; C525-F570 HydrophobicContact CB-CZ 4.48Å; C525-V576 CarbonylContact C-O 3.55Å; C525-V576 WeakPolarHBondContact CA-O 3.25Å; C525-V576 WeakPolarHBondContact CB-O 3.49Å |
| 526 | M | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | -179.8 | 179.3 | 73.3 | -172.3 | -67 | 0 | 0 | 112.1 | V518 L519 Y522 L528 E530 L531 L534 F575 V576 | V518-M526 HydrophobicContact CG1-SD 4.38Å; L519-M526 HydrophobicContact CD2-CG 3.7Å; L519-M526 HydrophobicContact CD2-SD 4.18Å; Y522-M526 HydrophobicContact CD1-CE 3.71Å; Y522-M526 HydrophobicContact CD1-SD 4.2Å; Y522-M526 HydrophobicContact CD2-CE 4.37Å; Y522-M526 HydrophobicContact CD2-SD 4.11Å; Y522-M526 HydrophobicContact CE1-CE 3.8Å; Y522-M526 HydrophobicContact CE2-CE 4.45Å; Y522-M526 HydrophobicContact CG-CE 4.02Å; Y522-M526 HydrophobicContact CG-SD 3.89Å; M526-L528 PolarHBondContact O-N 2.75Å; M526-E530 HydrophobicContact CE-CB 3.65Å; M526-L531 HydrophobicContact CG-CB 4.15Å; M526-L531 HydrophobicContact SD-CB 3.99Å; M526-L531 HydrophobicContact SD-CD1 3.88Å; M526-L534 HydrophobicContact CE-CD1 3.71Å; M526-L534 HydrophobicContact SD-CD1 4.36Å; M526-F575 WeakPolarHBondContact O-CA 3.38Å; M526-V576 PolarHBondContact N-O 3.04Å; M526-V576 PolarHBondContact O-N 3.31Å |
| 527 | S | 94.8 | Very high | 92.5 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.3 | 172.7 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | Q529 E530 L531 | S527-Q529 PolarHBondContact O-N 2.89Å; S527-Q529 PolarHBondContact OG-N 2.97Å; S527-E530 WeakPolarHBondContact CB-OE2 3.45Å; S527-E530 PolarHBondContact O-N 2.78Å; S527-E530 PolarHBondContact OG-N 3.04Å; S527-L531 PolarHBondContact O-N 2.88Å |
| 528 | L | 96.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -35 | 176.1 | 178 | 62.2 | 0 | 0 | 0 | 111.5 | M526 F532 F556 V557 L560 I569 R573 A574 V576 | M526-L528 PolarHBondContact O-N 2.75Å; L528-F532 WeakPolarHBondContact O-CB 3.27Å; L528-F532 PolarHBondContact O-N 3.47Å; L528-F532 VanDerWaalsContact O-N 3.17Å; L528-F556 HydrophobicContact CD1-CD1 4.45Å; L528-F556 HydrophobicContact CD1-CE1 4.11Å; L528-V557 HydrophobicContact CD1-CG2 4.37Å; L528-V557 HydrophobicContact CD2-CG2 3.9Å; L528-V557 HydrophobicContact CG-CG2 4.49Å; L528-L560 HydrophobicContact CD1-CD1 3.66Å; L528-I569 HydrophobicContact CD2-CG2 4.33Å; L528-R573 HydrophobicContact CD2-CB 4.5Å; L528-R573 VanDerWaalsContact CD2-O 3.3Å; L528-R573 WeakPolarHBondContact CD2-O 3.29Å; L528-A574 PolarHBondContact N-O 3.21Å; L528-V576 HydrophobicContact CB-CG1 4.34Å; L528-V576 HydrophobicContact CD1-CB 4.18Å; L528-V576 HydrophobicContact CD1-CG1 3.98Å |
| 529 | Q | 95.6 | Very high | 92.1 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.1 | -46 | 176.5 | -176.2 | 60.3 | 48.6 | 0 | 0 | 110.9 | S527 L531 F532 D533 | S527-Q529 PolarHBondContact O-N 2.89Å; S527-Q529 PolarHBondContact OG-N 2.97Å; Q529-L531 PolarHBondContact O-N 3.26Å; Q529-F532 WeakPolarHBondContact O-CB 3.31Å; Q529-F532 PolarHBondContact O-N 3.37Å; Q529-D533 PolarHBondContact NE2-OD1 3.03Å; Q529-D533 PolarHBondContact NE2-OD2 2.84Å; Q529-D533 PolarHBondContact O-N 2.8Å |
| 530 | E | 93.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | -179.9 | -66.9 | 176 | 156.2 | 0 | 0 | 111.9 | M526 S527 F532 D533 L534 | M526-E530 HydrophobicContact CE-CB 3.65Å; S527-E530 WeakPolarHBondContact CB-OE2 3.45Å; S527-E530 PolarHBondContact O-N 2.78Å; S527-E530 PolarHBondContact OG-N 3.04Å; E530-F532 VanDerWaalsContact C-N 3.29Å; E530-F532 PolarHBondContact O-N 2.92Å; E530-D533 PolarHBondContact O-N 2.92Å; E530-L534 WeakPolarHBondContact O-CB 3.44Å; E530-L534 VanDerWaalsContact O-CG 3.29Å; E530-L534 WeakPolarHBondContact O-CG 3.32Å; E530-L534 PolarHBondContact O-N 2.85Å |
| 531 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.6 | -176 | 67.8 | 0 | 0 | 0 | 111.3 | L515 V518 L519 M526 S527 Q529 L534 Y535 F556 V576 | L515-L531 HydrophobicContact CD2-CD1 4.08Å; L515-L531 HydrophobicContact CD2-CD2 4.06Å; L515-L531 HydrophobicContact CD2-CG 4.07Å; V518-L531 HydrophobicContact CB-CD1 4.38Å; V518-L531 HydrophobicContact CG1-CD1 3.86Å; L519-L531 HydrophobicContact CD1-CD2 4.27Å; L519-L531 HydrophobicContact CD2-CD1 4.46Å; L519-L531 HydrophobicContact CD2-CD2 4.19Å; L519-L531 HydrophobicContact CG-CD1 4.36Å; L519-L531 HydrophobicContact CG-CD2 4.25Å; M526-L531 HydrophobicContact CG-CB 4.15Å; M526-L531 HydrophobicContact SD-CB 3.99Å; M526-L531 HydrophobicContact SD-CD1 3.88Å; S527-L531 PolarHBondContact O-N 2.88Å; Q529-L531 PolarHBondContact O-N 3.26Å; L531-L534 PolarHBondContact O-N 2.89Å; L531-Y535 WeakPolarHBondContact O-CB 3.45Å; L531-Y535 PolarHBondContact O-N 3.48Å; L531-F556 HydrophobicContact CD2-CE1 4.25Å; L531-F556 HydrophobicContact CD2-CZ 3.92Å; L531-F556 HydrophobicContact CG-CE1 4.42Å; L531-F556 HydrophobicContact CG-CZ 3.94Å; L531-V576 HydrophobicContact CB-CG1 4.38Å; L531-V576 HydrophobicContact CD2-CG1 3.63Å |
| 532 | F | 96.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.5 | 176.8 | -113.2 | 0 | 0 | 0 | 111.9 | L528 Q529 E530 L534 Y535 L536 E551 K553 F556 | L528-F532 WeakPolarHBondContact O-CB 3.27Å; L528-F532 PolarHBondContact O-N 3.47Å; L528-F532 VanDerWaalsContact O-N 3.17Å; Q529-F532 WeakPolarHBondContact O-CB 3.31Å; Q529-F532 PolarHBondContact O-N 3.37Å; E530-F532 VanDerWaalsContact C-N 3.29Å; E530-F532 PolarHBondContact O-N 2.92Å; F532-L534 VanDerWaalsContact C-N 3.32Å; F532-L534 PolarHBondContact O-N 3.5Å; F532-Y535 HydrophobicContact CD2-CD1 4.07Å; F532-Y535 HydrophobicContact CE2-CD1 4.21Å; F532-Y535 HydrophobicContact CE2-CE1 4.42Å; F532-Y535 WeakPolarHBondContact O-CB 3.4Å; F532-Y535 PolarHBondContact O-N 3.41Å; F532-L536 HydrophobicContact CD1-CD1 4.21Å; F532-L536 HydrophobicContact CE1-CD1 3.62Å; F532-L536 HydrophobicContact CE1-CG 4.3Å; F532-L536 HydrophobicContact CE2-CD1 4.3Å; F532-L536 HydrophobicContact CE2-CD2 4.14Å; F532-L536 HydrophobicContact CE2-CG 4.15Å; F532-L536 HydrophobicContact CZ-CD1 3.67Å; F532-L536 HydrophobicContact CZ-CD2 4.09Å; F532-L536 HydrophobicContact CZ-CG 4.01Å; F532-L536 WeakPolarHBondContact O-CG 3.38Å; F532-L536 PolarHBondContact O-N 3.48Å; F532-E551 WeakPolarHBondContact CZ-O 3.5Å; F532-K553 HydrophobicContact CD1-CB 4.29Å; F532-K553 HydrophobicContact CD1-CG 4.47Å; F532-K553 HydrophobicContact CE1-CB 4Å; F532-K553 HydrophobicContact CZ-CB 4.13Å; F532-K553 VanDerWaalsContact CZ-N 3.31Å; F532-F556 HydrophobicContact CB-CD1 4.05Å; F532-F556 HydrophobicContact CB-CE1 4.05Å; F532-F556 HydrophobicContact CD2-CB 3.64Å; F532-F556 AromaticContact CD2-CD1 3.81Å; F532-F556 HydrophobicContact CD2-CD1 3.81Å; F532-F556 AromaticContact CD2-CD2 3.93Å; F532-F556 HydrophobicContact CD2-CD2 3.93Å; F532-F556 HydrophobicContact CD2-CE1 4.44Å; F532-F556 AromaticContact CD2-CG 3.52Å; F532-F556 HydrophobicContact CD2-CG 3.52Å; F532-F556 HydrophobicContact CE2-CB 3.84Å; F532-F556 HydrophobicContact CE2-CG 4.2Å; F532-F556 HydrophobicContact CG-CD1 4.34Å; F532-F556 HydrophobicContact CG-CG 4.47Å |
| 533 | D | 94.7 | Very high | 91.7 | Very high | 72 Ų | 72 | 43.9 Ų | 43.9 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 177.8 | -63.4 | -23.6 | 0 | 0 | 0 | 111.4 | Q529 E530 L536 C537 | Q529-D533 PolarHBondContact NE2-OD1 3.03Å; Q529-D533 PolarHBondContact NE2-OD2 2.84Å; Q529-D533 PolarHBondContact O-N 2.8Å; E530-D533 PolarHBondContact O-N 2.92Å; D533-L536 PolarHBondContact O-N 3.45Å; D533-C537 PolarHBondContact O-N 2.93Å; D533-C537 PolarHBondContact O-SG 2.9Å |
| 534 | L | 92.2 | Very high | 91.6 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 173.1 | -73.9 | 175.3 | 0 | 0 | 0 | 111.9 | V518 Y522 M526 E530 L531 F532 L536 C537 W538 | V518-L534 HydrophobicContact CG1-CD1 4.01Å; Y522-L534 HydrophobicContact CE2-CD1 3.98Å; M526-L534 HydrophobicContact CE-CD1 3.71Å; M526-L534 HydrophobicContact SD-CD1 4.36Å; E530-L534 WeakPolarHBondContact O-CB 3.44Å; E530-L534 VanDerWaalsContact O-CG 3.29Å; E530-L534 WeakPolarHBondContact O-CG 3.32Å; E530-L534 PolarHBondContact O-N 2.85Å; L531-L534 PolarHBondContact O-N 2.89Å; F532-L534 VanDerWaalsContact C-N 3.32Å; F532-L534 PolarHBondContact O-N 3.5Å; L534-L536 VanDerWaalsContact C-N 3.33Å; L534-L536 PolarHBondContact O-N 3.26Å; L534-C537 CarbonylContact O-C 3.58Å; L534-C537 PolarHBondContact O-N 3.04Å; L534-C537 VanDerWaalsContact O-N 3.14Å; L534-W538 PolarHBondContact O-N 3.41Å; L534-W538 VanDerWaalsContact O-N 3.17Å |
| 535 | Y | 94.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -44.7 | 176.9 | 156.9 | -101.7 | 0 | 0 | 0 | 111.8 | L531 F532 C537 W538 L541 I549 G550 F556 | L531-Y535 WeakPolarHBondContact O-CB 3.45Å; L531-Y535 PolarHBondContact O-N 3.48Å; F532-Y535 HydrophobicContact CD2-CD1 4.07Å; F532-Y535 HydrophobicContact CE2-CD1 4.21Å; F532-Y535 HydrophobicContact CE2-CE1 4.42Å; F532-Y535 WeakPolarHBondContact O-CB 3.4Å; F532-Y535 PolarHBondContact O-N 3.41Å; Y535-C537 PolarHBondContact O-N 3.06Å; Y535-W538 AromaticContact CD2-CE3 3.95Å; Y535-W538 HydrophobicContact CD2-CE3 3.95Å; Y535-W538 AromaticContact CD2-CZ3 3.94Å; Y535-W538 HydrophobicContact CD2-CZ3 3.94Å; Y535-W538 PolarHBondContact O-N 2.97Å; Y535-L541 HydrophobicContact CD2-CD2 4.09Å; Y535-L541 HydrophobicContact CE2-CD2 3.55Å; Y535-I549 HydrophobicContact CE1-CG2 4.06Å; Y535-I549 HydrophobicContact CE2-CB 4.2Å; Y535-I549 HydrophobicContact CE2-CD1 3.98Å; Y535-I549 HydrophobicContact CE2-CG2 3.98Å; Y535-I549 WeakPolarHBondContact OH-CB 3.27Å; Y535-G550 VanDerWaalsContact CE1-O 3.25Å; Y535-G550 WeakPolarHBondContact CE1-O 3.26Å; Y535-G550 PolarHBondContact OH-O 2.92Å; Y535-F556 AromaticContact CD1-CD2 3.73Å; Y535-F556 HydrophobicContact CD1-CD2 3.73Å; Y535-F556 AromaticContact CD1-CE2 3.91Å; Y535-F556 HydrophobicContact CD1-CE2 3.91Å; Y535-F556 HydrophobicContact CD2-CE2 4.24Å; Y535-F556 HydrophobicContact CE1-CD2 4.07Å; Y535-F556 HydrophobicContact CG-CD2 4.01Å; Y535-F556 AromaticContact CG-CE2 3.71Å; Y535-F556 HydrophobicContact CG-CE2 3.71Å |
| 536 | L | 94.1 | Very high | 91.4 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -30.1 | 178.3 | -69.3 | 179.6 | 0 | 0 | 0 | 113 | F532 D533 L534 E551 | F532-L536 HydrophobicContact CD1-CD1 4.21Å; F532-L536 HydrophobicContact CE1-CD1 3.62Å; F532-L536 HydrophobicContact CE1-CG 4.3Å; F532-L536 HydrophobicContact CE2-CD1 4.3Å; F532-L536 HydrophobicContact CE2-CD2 4.14Å; F532-L536 HydrophobicContact CE2-CG 4.15Å; F532-L536 HydrophobicContact CZ-CD1 3.67Å; F532-L536 HydrophobicContact CZ-CD2 4.09Å; F532-L536 HydrophobicContact CZ-CG 4.01Å; F532-L536 WeakPolarHBondContact O-CG 3.38Å; F532-L536 PolarHBondContact O-N 3.48Å; D533-L536 PolarHBondContact O-N 3.45Å; L534-L536 VanDerWaalsContact C-N 3.33Å; L534-L536 PolarHBondContact O-N 3.26Å; L536-E551 HydrophobicContact CD2-CB 4.49Å |
| 537 | C | 90.9 | Very high | 91.3 | Very high | 103 Ų | 103 | 57.9 Ų | 57.9 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 1.7 | -177.5 | -60.6 | 0 | 0 | 0 | 0 | 114 | D533 L534 Y535 P539 | D533-C537 PolarHBondContact O-N 2.93Å; D533-C537 PolarHBondContact O-SG 2.9Å; L534-C537 CarbonylContact O-C 3.58Å; L534-C537 PolarHBondContact O-N 3.04Å; L534-C537 VanDerWaalsContact O-N 3.14Å; Y535-C537 PolarHBondContact O-N 3.06Å; C537-P539 WeakPolarHBondContact O-CD 3.4Å |
| 538 | W | 86.7 | Confident | 91.1 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -67.7 | 124.9 | -175.4 | -82.1 | -18.4 | 0 | 0 | 0 | 112.7 | R514 L515 V518 L534 Y535 L541 | R514-W538 HydrophobicContact CB-CH2 4.22Å; R514-W538 HydrophobicContact CB-CZ3 4.06Å; L515-W538 HydrophobicContact CD2-CH2 3.54Å; L515-W538 HydrophobicContact CD2-CZ2 4.47Å; L515-W538 HydrophobicContact CD2-CZ3 4.09Å; L515-W538 HydrophobicContact CG-CH2 3.87Å; L515-W538 HydrophobicContact CG-CZ3 4.23Å; V518-W538 HydrophobicContact CB-CZ2 3.94Å; V518-W538 HydrophobicContact CG1-CZ2 4.35Å; V518-W538 HydrophobicContact CG2-CH2 4.26Å; V518-W538 HydrophobicContact CG2-CZ2 3.35Å; L534-W538 PolarHBondContact O-N 3.41Å; L534-W538 VanDerWaalsContact O-N 3.17Å; Y535-W538 AromaticContact CD2-CE3 3.95Å; Y535-W538 HydrophobicContact CD2-CE3 3.95Å; Y535-W538 AromaticContact CD2-CZ3 3.94Å; Y535-W538 HydrophobicContact CD2-CZ3 3.94Å; Y535-W538 PolarHBondContact O-N 2.97Å; W538-L541 HydrophobicContact CE3-CD1 4.11Å; W538-L541 HydrophobicContact CE3-CD2 4.48Å | ||
| 539 | P | 82.6 | Confident | 91 | Very high | 103 Ų | 103 | 58.8 Ų | 58.8 | 67% | 0.669 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 148.7 | 170.5 | 31.5 | -33.7 | 0 | 0 | 0 | 109.8 | C537 L541 | C537-P539 WeakPolarHBondContact O-CD 3.4Å; P539-L541 PolarHBondContact O-N 2.95Å |
| 540 | D | 83.1 | Confident | 91 | Very high | 155 Ų | 155 | 56.1 Ų | 56.1 | 83% | 0.829 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 24.1 | 169.7 | -48 | -44.4 | 0 | 0 | 0 | 115.7 | P542 | D540-P542 WeakPolarHBondContact O-CD 3.3Š|
| 541 | L | 86.2 | Confident | 91 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | trans | -67.3 | 125.2 | 169.9 | -171.8 | 70.7 | 0 | 0 | 0 | 109 | Y535 W538 P539 L543 V545 R546 | Y535-L541 HydrophobicContact CD2-CD2 4.09Å; Y535-L541 HydrophobicContact CE2-CD2 3.55Å; W538-L541 HydrophobicContact CE3-CD1 4.11Å; W538-L541 HydrophobicContact CE3-CD2 4.48Å; P539-L541 PolarHBondContact O-N 2.95Å; L541-L543 PolarHBondContact O-N 2.81Å; L541-V545 HydrophobicContact CD1-CB 4.2Å; L541-V545 HydrophobicContact CD1-CG1 3.9Å; L541-V545 HydrophobicContact CD2-CG1 4.25Å; L541-V545 HydrophobicContact CG-CB 4.19Å; L541-V545 HydrophobicContact CG-CG1 4.23Å; L541-R546 HydrophobicContact CD2-CB 4.24Å | ||
| 542 | P | 88.5 | Confident | 91.1 | Very high | 44 Ų | 44 | 62.6 Ų | 62.6 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | trans | -55.1 | 139.2 | 177.5 | -24.8 | 34 | 0 | 0 | 0 | 111.6 | D540 E544 V545 R546 | D540-P542 WeakPolarHBondContact O-CD 3.3Å; P542-E544 VanDerWaalsContact CB-OE2 3.26Å; P542-E544 WeakPolarHBondContact CB-OE2 3.46Å; P542-E544 PolarHBondContact O-N 2.82Å; P542-V545 HydrophobicContact CB-CG2 4.06Å; P542-V545 HydrophobicContact CG-CG2 4.28Å; P542-V545 WeakPolarHBondContact O-CB 3.41Å; P542-V545 PolarHBondContact O-N 3.21Å; P542-R546 PolarHBondContact O-N 2.84Å | ||
| 543 | L | 88.8 | Confident | 91.1 | Very high | 105 Ų | 105 | 66 Ų | 66 | 55% | 0.55 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.3 | -38.2 | -174.7 | 179.7 | 63.2 | 0 | 0 | 0 | 111.1 | L541 V545 R546 E547 | L541-L543 PolarHBondContact O-N 2.81Å; L543-V545 VanDerWaalsContact C-N 3.25Å; L543-V545 PolarHBondContact O-N 2.81Å; L543-R546 CarbonylContact O-C 3.58Å; L543-R546 WeakPolarHBondContact O-CB 3.46Å; L543-R546 PolarHBondContact O-N 2.81Å; L543-E547 HydrophobicContact CD1-CG 4.29Å; L543-E547 HydrophobicContact CG-CG 4.25Å; L543-E547 WeakPolarHBondContact O-CG 3.25Å; L543-E547 PolarHBondContact O-N 3.14Å |
| 544 | E | 87.9 | Confident | 91.2 | Very high | 78 Ų | 78 | 67 Ų | 67 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | -179.3 | -50.5 | 76.9 | -165.7 | 0 | 0 | 111.7 | P542 L548 | P542-E544 VanDerWaalsContact CB-OE2 3.26Å; P542-E544 WeakPolarHBondContact CB-OE2 3.46Å; P542-E544 PolarHBondContact O-N 2.82Å; E544-L548 VanDerWaalsContact O-CB 3.25Å; E544-L548 WeakPolarHBondContact O-CB 3.26Å; E544-L548 PolarHBondContact O-N 2.5Å; E544-L548 VanDerWaalsContact O-N 3.09Å |
| 545 | V | 91.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.7 | -41.2 | 174.8 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | I510 L541 P542 L543 L548 I549 | I510-V545 HydrophobicContact CB-CG2 4.08Å; I510-V545 HydrophobicContact CG2-CG2 3.95Å; L541-V545 HydrophobicContact CD1-CB 4.2Å; L541-V545 HydrophobicContact CD1-CG1 3.9Å; L541-V545 HydrophobicContact CD2-CG1 4.25Å; L541-V545 HydrophobicContact CG-CB 4.19Å; L541-V545 HydrophobicContact CG-CG1 4.23Å; P542-V545 HydrophobicContact CB-CG2 4.06Å; P542-V545 HydrophobicContact CG-CG2 4.28Å; P542-V545 WeakPolarHBondContact O-CB 3.41Å; P542-V545 PolarHBondContact O-N 3.21Å; L543-V545 VanDerWaalsContact C-N 3.25Å; L543-V545 PolarHBondContact O-N 2.81Å; V545-L548 PolarHBondContact O-N 3.17Å; V545-I549 HydrophobicContact CG1-CD1 3.79Å; V545-I549 HydrophobicContact CG1-CG1 4.42Å; V545-I549 WeakPolarHBondContact O-CG1 3.4Å; V545-I549 PolarHBondContact O-N 3.29Å |
| 546 | R | 91.9 | Very high | 91.6 | Very high | 79 Ų | 79 | 66.7 Ų | 66.7 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 178.1 | -162.6 | 178 | -174 | 126.9 | 6.7 | 111.8 | L541 P542 L543 G550 E551 | L541-R546 HydrophobicContact CD2-CB 4.24Å; P542-R546 PolarHBondContact O-N 2.84Å; L543-R546 CarbonylContact O-C 3.58Å; L543-R546 WeakPolarHBondContact O-CB 3.46Å; L543-R546 PolarHBondContact O-N 2.81Å; R546-G550 VanDerWaalsContact O-CA 3.27Å; R546-G550 WeakPolarHBondContact O-CA 3.44Å; R546-G550 PolarHBondContact O-N 3.45Å; R546-E551 IonicContact CZ-OE1 3.37Å; R546-E551 IonicContact NE-OE1 2.79Å; R546-E551 PolarHBondContact NE-OE1 3.41Å; R546-E551 IonicContact NH2-OE1 3.13Å; R546-E551 PolarHBondContact NH2-OE1 2.92Å; R546-E551 VanDerWaalsContact NH2-OE1 3.13Å |
| 547 | E | 91.6 | Very high | 91.7 | Very high | 140 Ų | 140 | 64.6 Ų | 64.6 | 65% | 0.654 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 174.2 | -72.8 | -179.5 | 165.9 | 0 | 0 | 112.1 | L543 | L543-E547 HydrophobicContact CD1-CG 4.29Å; L543-E547 HydrophobicContact CG-CG 4.25Å; L543-E547 WeakPolarHBondContact O-CG 3.25Å; L543-E547 PolarHBondContact O-N 3.14Å |
| 548 | L | 91 | Very high | 92 | Very high | 46 Ų | 46 | 66 Ų | 66 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 177.6 | 174.8 | 67.5 | 0 | 0 | 0 | 112.9 | D508 E544 V545 F559 | D508-L548 HydrophobicContact CB-CD2 4.09Å; D508-L548 VanDerWaalsContact CG-CD2 3.47Å; D508-L548 WeakPolarHBondContact OD2-CD2 3.49Å; E544-L548 VanDerWaalsContact O-CB 3.25Å; E544-L548 WeakPolarHBondContact O-CB 3.26Å; E544-L548 PolarHBondContact O-N 2.5Å; E544-L548 VanDerWaalsContact O-N 3.09Å; V545-L548 PolarHBondContact O-N 3.17Å; L548-F559 HydrophobicContact CD2-CD2 4.48Å; L548-F559 HydrophobicContact CD2-CE2 3.79Å; L548-F559 HydrophobicContact CG-CD2 4.32Å; L548-F559 HydrophobicContact CG-CE2 4.12Å |
| 549 | I | 94.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -80.9 | -34.2 | -176.6 | -62 | 178.3 | 0 | 0 | 0 | 111 | L515 Y535 V545 S555 F556 F559 | L515-I549 HydrophobicContact CD1-CD1 4.23Å; Y535-I549 HydrophobicContact CE1-CG2 4.06Å; Y535-I549 HydrophobicContact CE2-CB 4.2Å; Y535-I549 HydrophobicContact CE2-CD1 3.98Å; Y535-I549 HydrophobicContact CE2-CG2 3.98Å; Y535-I549 WeakPolarHBondContact OH-CB 3.27Å; V545-I549 HydrophobicContact CG1-CD1 3.79Å; V545-I549 HydrophobicContact CG1-CG1 4.42Å; V545-I549 WeakPolarHBondContact O-CG1 3.4Å; V545-I549 PolarHBondContact O-N 3.29Å; I549-S555 CarbonylContact O-C 3.59Å; I549-S555 VanDerWaalsContact O-C 3.3Å; I549-S555 WeakPolarHBondContact O-CB 3.34Å; I549-S555 PolarHBondContact O-OG 2.79Å; I549-F556 HydrophobicContact CG2-CB 4.37Å; I549-F556 HydrophobicContact CG2-CD2 3.57Å; I549-F556 HydrophobicContact CG2-CE2 4.35Å; I549-F556 HydrophobicContact CG2-CG 4.42Å; I549-F559 HydrophobicContact CB-CG 4.44Å; I549-F559 HydrophobicContact CD1-CD1 4.08Å; I549-F559 HydrophobicContact CD1-CE1 3.95Å; I549-F559 HydrophobicContact CD1-CE2 4.46Å; I549-F559 HydrophobicContact CD1-CG 4.4Å; I549-F559 HydrophobicContact CD1-CZ 4.15Å; I549-F559 HydrophobicContact CG1-CB 4.43Å; I549-F559 HydrophobicContact CG1-CD1 3.94Å; I549-F559 HydrophobicContact CG1-CD2 3.72Å; I549-F559 HydrophobicContact CG1-CE1 4.11Å; I549-F559 HydrophobicContact CG1-CE2 3.88Å; I549-F559 HydrophobicContact CG1-CG 3.75Å; I549-F559 HydrophobicContact CG1-CZ 4.08Å; I549-F559 HydrophobicContact CG2-CB 4.27Å; I549-F559 HydrophobicContact CG2-CG 4.38Å |
| 550 | G | 94.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | trans | 77.6 | 175 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y535 R546 S555 | Y535-G550 VanDerWaalsContact CE1-O 3.25Å; Y535-G550 WeakPolarHBondContact CE1-O 3.26Å; Y535-G550 PolarHBondContact OH-O 2.92Å; R546-G550 VanDerWaalsContact O-CA 3.27Å; R546-G550 WeakPolarHBondContact O-CA 3.44Å; R546-G550 PolarHBondContact O-N 3.45Å; G550-S555 WeakPolarHBondContact CA-OG 3.5Å | ||
| 551 | E | 94.4 | Very high | 93.7 | Very high | 124 Ų | 124 | 55.4 Ų | 55.4 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -105.1 | 2.2 | -173.6 | -54.9 | -166.7 | 137.1 | 0 | 0 | 113.4 | F532 L536 R546 | F532-E551 WeakPolarHBondContact CZ-O 3.5Å; L536-E551 HydrophobicContact CD2-CB 4.49Å; R546-E551 IonicContact CZ-OE1 3.37Å; R546-E551 IonicContact NE-OE1 2.79Å; R546-E551 PolarHBondContact NE-OE1 3.41Å; R546-E551 IonicContact NH2-OE1 3.13Å; R546-E551 PolarHBondContact NH2-OE1 2.92Å; R546-E551 VanDerWaalsContact NH2-OE1 3.13Å |
| 552 | S | 97.1 | Very high | 94 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -98.5 | 147.5 | 178.6 | 76.2 | 0 | 0 | 0 | 0 | 111 | T554 S555 F556 | S552-T554 PolarHBondContact O-N 2.98Å; S552-S555 PolarHBondContact N-OG 3.27Å; S552-S555 PolarHBondContact O-N 3.25Å; S552-S555 PolarHBondContact O-OG 3.47Å; S552-S555 VanDerWaalsContact OG-CB 3.3Å; S552-S555 WeakPolarHBondContact OG-CB 3.36Å; S552-S555 PolarHBondContact OG-N 2.76Å; S552-S555 PolarHBondContact OG-OG 3.18Å; S552-F556 WeakPolarHBondContact O-CB 3.36Å; S552-F556 PolarHBondContact O-N 2.86Å |
| 553 | K | 96 | Very high | 94.3 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.1 | -36.2 | 173.4 | -172.5 | 172.8 | -178.6 | 174.5 | 0 | 111.6 | F532 F556 V557 | F532-K553 HydrophobicContact CD1-CB 4.29Å; F532-K553 HydrophobicContact CD1-CG 4.47Å; F532-K553 HydrophobicContact CE1-CB 4Å; F532-K553 HydrophobicContact CZ-CB 4.13Å; F532-K553 VanDerWaalsContact CZ-N 3.31Å; K553-F556 PolarHBondContact O-N 3.09Å; K553-V557 HydrophobicContact CG-CG2 4.45Å; K553-V557 WeakPolarHBondContact O-CB 3.47Å; K553-V557 VanDerWaalsContact O-CG2 3.29Å; K553-V557 WeakPolarHBondContact O-CG2 3.35Å; K553-V557 PolarHBondContact O-N 3.32Å |
| 554 | T | 97 | Very high | 94.4 | Very high | 93 Ų | 93 | 51.9 Ų | 51.9 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65 | -45 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | S552 K558 | S552-T554 PolarHBondContact O-N 2.98Å; T554-K558 WeakPolarHBondContact O-CB 3.39Å; T554-K558 VanDerWaalsContact O-CG 3.31Å; T554-K558 WeakPolarHBondContact O-CG 3.22Å; T554-K558 PolarHBondContact O-N 3.44Å |
| 555 | S | 97.2 | Very high | 94.5 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | I549 G550 S552 K558 F559 | I549-S555 CarbonylContact O-C 3.59Å; I549-S555 VanDerWaalsContact O-C 3.3Å; I549-S555 WeakPolarHBondContact O-CB 3.34Å; I549-S555 PolarHBondContact O-OG 2.79Å; G550-S555 WeakPolarHBondContact CA-OG 3.5Å; S552-S555 PolarHBondContact N-OG 3.27Å; S552-S555 PolarHBondContact O-N 3.25Å; S552-S555 PolarHBondContact O-OG 3.47Å; S552-S555 VanDerWaalsContact OG-CB 3.3Å; S552-S555 WeakPolarHBondContact OG-CB 3.36Å; S552-S555 PolarHBondContact OG-N 2.76Å; S552-S555 PolarHBondContact OG-OG 3.18Å; S555-K558 PolarHBondContact O-N 2.73Å; S555-F559 PolarHBondContact O-N 3.46Å |
| 556 | F | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 174.1 | -176 | -99.6 | 0 | 0 | 0 | 112.6 | L515 L528 L531 F532 Y535 I549 S552 K553 K558 F559 L560 | L515-F556 HydrophobicContact CD1-CE2 4.31Å; L515-F556 HydrophobicContact CD2-CE2 3.75Å; L515-F556 HydrophobicContact CD2-CZ 3.7Å; L528-F556 HydrophobicContact CD1-CD1 4.45Å; L528-F556 HydrophobicContact CD1-CE1 4.11Å; L531-F556 HydrophobicContact CD2-CE1 4.25Å; L531-F556 HydrophobicContact CD2-CZ 3.92Å; L531-F556 HydrophobicContact CG-CE1 4.42Å; L531-F556 HydrophobicContact CG-CZ 3.94Å; F532-F556 HydrophobicContact CB-CD1 4.05Å; F532-F556 HydrophobicContact CB-CE1 4.05Å; F532-F556 HydrophobicContact CD2-CB 3.64Å; F532-F556 AromaticContact CD2-CD1 3.81Å; F532-F556 HydrophobicContact CD2-CD1 3.81Å; F532-F556 AromaticContact CD2-CD2 3.93Å; F532-F556 HydrophobicContact CD2-CD2 3.93Å; F532-F556 HydrophobicContact CD2-CE1 4.44Å; F532-F556 AromaticContact CD2-CG 3.52Å; F532-F556 HydrophobicContact CD2-CG 3.52Å; F532-F556 HydrophobicContact CE2-CB 3.84Å; F532-F556 HydrophobicContact CE2-CG 4.2Å; F532-F556 HydrophobicContact CG-CD1 4.34Å; F532-F556 HydrophobicContact CG-CG 4.47Å; Y535-F556 AromaticContact CD1-CD2 3.73Å; Y535-F556 HydrophobicContact CD1-CD2 3.73Å; Y535-F556 AromaticContact CD1-CE2 3.91Å; Y535-F556 HydrophobicContact CD1-CE2 3.91Å; Y535-F556 HydrophobicContact CD2-CE2 4.24Å; Y535-F556 HydrophobicContact CE1-CD2 4.07Å; Y535-F556 HydrophobicContact CG-CD2 4.01Å; Y535-F556 AromaticContact CG-CE2 3.71Å; Y535-F556 HydrophobicContact CG-CE2 3.71Å; I549-F556 HydrophobicContact CG2-CB 4.37Å; I549-F556 HydrophobicContact CG2-CD2 3.57Å; I549-F556 HydrophobicContact CG2-CE2 4.35Å; I549-F556 HydrophobicContact CG2-CG 4.42Å; S552-F556 WeakPolarHBondContact O-CB 3.36Å; S552-F556 PolarHBondContact O-N 2.86Å; K553-F556 PolarHBondContact O-N 3.09Å; F556-K558 PolarHBondContact O-N 3.05Å; F556-F559 WeakPolarHBondContact O-CB 3.48Å; F556-F559 PolarHBondContact O-N 3.35Å; F556-F559 VanDerWaalsContact O-N 3.16Å; F556-L560 HydrophobicContact CD1-CD1 3.95Å; F556-L560 HydrophobicContact CE1-CD1 3.5Å; F556-L560 HydrophobicContact CE1-CG 4.23Å; F556-L560 HydrophobicContact CZ-CD1 4.11Å; F556-L560 HydrophobicContact CZ-CG 4.5Å; F556-L560 PolarHBondContact O-N 3.23Å; F556-L560 VanDerWaalsContact O-N 3.07Å |
| 557 | V | 97.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.6 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | L528 K553 F559 L560 E561 I569 | L528-V557 HydrophobicContact CD1-CG2 4.37Å; L528-V557 HydrophobicContact CD2-CG2 3.9Å; L528-V557 HydrophobicContact CG-CG2 4.49Å; K553-V557 HydrophobicContact CG-CG2 4.45Å; K553-V557 WeakPolarHBondContact O-CB 3.47Å; K553-V557 VanDerWaalsContact O-CG2 3.29Å; K553-V557 WeakPolarHBondContact O-CG2 3.35Å; K553-V557 PolarHBondContact O-N 3.32Å; V557-F559 VanDerWaalsContact C-N 3.27Å; V557-F559 PolarHBondContact O-N 3.43Å; V557-L560 PolarHBondContact O-N 2.77Å; V557-L560 VanDerWaalsContact O-N 3.15Å; V557-E561 HydrophobicContact CG1-CG 4.22Å; V557-E561 WeakPolarHBondContact O-CG 3.45Å; V557-E561 PolarHBondContact O-N 3.29Å; V557-I569 HydrophobicContact CG1-CD1 3.85Å |
| 558 | K | 97.2 | Very high | 95 | Very high | 133 Ų | 133 | 39.5 Ų | 39.5 | 58% | 0.578 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.6 | -37.4 | 175.1 | -76.2 | 177.8 | 177.6 | -175.2 | 0 | 112.5 | T554 S555 F556 K562 | T554-K558 WeakPolarHBondContact O-CB 3.39Å; T554-K558 VanDerWaalsContact O-CG 3.31Å; T554-K558 WeakPolarHBondContact O-CG 3.22Å; T554-K558 PolarHBondContact O-N 3.44Å; S555-K558 PolarHBondContact O-N 2.73Å; F556-K558 PolarHBondContact O-N 3.05Å; K558-K562 WeakPolarHBondContact O-CB 3.45Å; K558-K562 PolarHBondContact O-N 3.09Å |
| 559 | F | 96.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | 175.4 | 177.8 | -91.8 | 0 | 0 | 0 | 112 | L515 L548 I549 S555 F556 V557 K562 H563 | L515-F559 HydrophobicContact CD1-CD1 4.05Å; L515-F559 HydrophobicContact CD1-CE1 3.74Å; L548-F559 HydrophobicContact CD2-CD2 4.48Å; L548-F559 HydrophobicContact CD2-CE2 3.79Å; L548-F559 HydrophobicContact CG-CD2 4.32Å; L548-F559 HydrophobicContact CG-CE2 4.12Å; I549-F559 HydrophobicContact CB-CG 4.44Å; I549-F559 HydrophobicContact CD1-CD1 4.08Å; I549-F559 HydrophobicContact CD1-CE1 3.95Å; I549-F559 HydrophobicContact CD1-CE2 4.46Å; I549-F559 HydrophobicContact CD1-CG 4.4Å; I549-F559 HydrophobicContact CD1-CZ 4.15Å; I549-F559 HydrophobicContact CG1-CB 4.43Å; I549-F559 HydrophobicContact CG1-CD1 3.94Å; I549-F559 HydrophobicContact CG1-CD2 3.72Å; I549-F559 HydrophobicContact CG1-CE1 4.11Å; I549-F559 HydrophobicContact CG1-CE2 3.88Å; I549-F559 HydrophobicContact CG1-CG 3.75Å; I549-F559 HydrophobicContact CG1-CZ 4.08Å; I549-F559 HydrophobicContact CG2-CB 4.27Å; I549-F559 HydrophobicContact CG2-CG 4.38Å; S555-F559 PolarHBondContact O-N 3.46Å; F556-F559 WeakPolarHBondContact O-CB 3.48Å; F556-F559 PolarHBondContact O-N 3.35Å; F556-F559 VanDerWaalsContact O-N 3.16Å; V557-F559 VanDerWaalsContact C-N 3.27Å; V557-F559 PolarHBondContact O-N 3.43Å; F559-K562 WeakPolarHBondContact O-CB 3.45Å; F559-K562 PolarHBondContact O-N 3.22Å; F559-H563 AromaticContact CD2-CE1 3.95Å; F559-H563 AromaticContact CE1-ND1 3.96Å; F559-H563 AromaticContact CE2-CE1 3.42Å; F559-H563 VanDerWaalsContact CE2-CE1 3.42Å; F559-H563 WeakPolarHBondContact CE2-CE1 3.31Å; F559-H563 AromaticContact CE2-ND1 3.84Å; F559-H563 AromaticContact CZ-CE1 3.59Å; F559-H563 AromaticContact CZ-ND1 3.76Å; F559-H563 PolarHBondContact O-N 3.16Å; F559-H563 PolarHBondContact O-ND1 3.09Å |
| 560 | L | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 175.2 | -66.6 | 175.5 | 0 | 0 | 0 | 111.8 | L515 L528 F556 V557 K562 H563 F567 I569 V576 | L515-L560 HydrophobicContact CD1-CD2 4.11Å; L528-L560 HydrophobicContact CD1-CD1 3.66Å; F556-L560 HydrophobicContact CD1-CD1 3.95Å; F556-L560 HydrophobicContact CE1-CD1 3.5Å; F556-L560 HydrophobicContact CE1-CG 4.23Å; F556-L560 HydrophobicContact CZ-CD1 4.11Å; F556-L560 HydrophobicContact CZ-CG 4.5Å; F556-L560 PolarHBondContact O-N 3.23Å; F556-L560 VanDerWaalsContact O-N 3.07Å; V557-L560 PolarHBondContact O-N 2.77Å; V557-L560 VanDerWaalsContact O-N 3.15Å; L560-K562 VanDerWaalsContact C-N 3.26Å; L560-K562 PolarHBondContact O-N 2.85Å; L560-H563 CarbonylContact O-C 3.48Å; L560-H563 WeakPolarHBondContact O-CA 3.42Å; L560-H563 PolarHBondContact O-N 3.02Å; L560-F567 HydrophobicContact CD2-CB 4.2Å; L560-F567 HydrophobicContact CD2-CD1 4.09Å; L560-F567 HydrophobicContact CD2-CD2 3.65Å; L560-F567 HydrophobicContact CD2-CE1 4.41Å; L560-F567 HydrophobicContact CD2-CE2 4.01Å; L560-F567 HydrophobicContact CD2-CG 3.7Å; L560-F567 HydrophobicContact CD2-CZ 4.37Å; L560-I569 HydrophobicContact CB-CD1 3.86Å; L560-I569 HydrophobicContact CB-CG1 4.24Å; L560-I569 HydrophobicContact CD1-CD1 4.32Å; L560-V576 HydrophobicContact CD1-CG2 4.2Å |
| 561 | E | 95 | Very high | 95.3 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.4 | -32.4 | 175.9 | -71.1 | 174.3 | 154.9 | 0 | 0 | 112.1 | V557 H563 T564 I569 R573 | V557-E561 HydrophobicContact CG1-CG 4.22Å; V557-E561 WeakPolarHBondContact O-CG 3.45Å; V557-E561 PolarHBondContact O-N 3.29Å; E561-H563 PolarHBondContact O-N 3.27Å; E561-T564 WeakPolarHBondContact O-CG2 2.86Å; E561-I569 HydrophobicContact CG-CD1 3.75Å; E561-R573 IonicContact OE1-CZ 2.65Å; E561-R573 IonicContact OE1-NH1 3.32Å; E561-R573 IonicContact OE1-NH2 3.06Å; E561-R573 PolarHBondContact OE1-NH2 2.83Å |
| 562 | K | 92 | Very high | 95.3 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -26.2 | 170.6 | -179.4 | -174.4 | 167.8 | -169.5 | 0 | 111.4 | R490 D508 K558 F559 L560 L611 | R490-K562 VanDerWaalsContact CD-O 3.24Å; R490-K562 WeakPolarHBondContact CD-O 3.23Å; R490-K562 PolarHBondContact NE-O 3.15Å; R490-K562 PolarHBondContact NH1-O 3.34Å; R490-K562 PolarHBondContact NH2-O 2.93Å; D508-K562 IonicContact OD1-NZ 3.03Å; D508-K562 PolarHBondContact OD1-NZ 3.07Å; K558-K562 WeakPolarHBondContact O-CB 3.45Å; K558-K562 PolarHBondContact O-N 3.09Å; F559-K562 WeakPolarHBondContact O-CB 3.45Å; F559-K562 PolarHBondContact O-N 3.22Å; L560-K562 VanDerWaalsContact C-N 3.26Å; L560-K562 PolarHBondContact O-N 2.85Å; K562-L611 WeakPolarHBondContact CE-O 3.46Å; K562-L611 PolarHBondContact NZ-O 3.18Å |
| 563 | H | 94.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 40.4 | -175 | -63.6 | 94.9 | 0 | 0 | 0 | 112.9 | D508 C512 F559 L560 E561 P565 I566 F567 | D508-H563 IonicContact OD1-CE1 3.29Å; D508-H563 IonicContact OD1-NE2 2.65Å; C512-H563 PolarHBondContact SG-CD2 3.01Å; C512-H563 VanDerWaalsContact SG-CG 3.57Å; F559-H563 AromaticContact CD2-CE1 3.95Å; F559-H563 AromaticContact CE1-ND1 3.96Å; F559-H563 AromaticContact CE2-CE1 3.42Å; F559-H563 VanDerWaalsContact CE2-CE1 3.42Å; F559-H563 WeakPolarHBondContact CE2-CE1 3.31Å; F559-H563 AromaticContact CE2-ND1 3.84Å; F559-H563 AromaticContact CZ-CE1 3.59Å; F559-H563 AromaticContact CZ-ND1 3.76Å; F559-H563 PolarHBondContact O-N 3.16Å; F559-H563 PolarHBondContact O-ND1 3.09Å; L560-H563 CarbonylContact O-C 3.48Å; L560-H563 WeakPolarHBondContact O-CA 3.42Å; L560-H563 PolarHBondContact O-N 3.02Å; E561-H563 PolarHBondContact O-N 3.27Å; H563-P565 VanDerWaalsContact C-N 3.32Å; H563-P565 VanDerWaalsContact O-N 3.16Å; H563-I566 WeakPolarHBondContact O-CA 3.5Å; H563-I566 WeakPolarHBondContact O-CB 3.42Å; H563-I566 PolarHBondContact O-N 2.78Å; H563-F567 HydrophobicContact CB-CD2 3.74Å; H563-F567 HydrophobicContact CB-CE2 4.02Å; H563-F567 PolarHBondContact O-N 2.94Å |
| 564 | T | 91.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 44% | 0.436 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.6 | -178.8 | 48.6 | 0 | 0 | 0 | 0 | 117.8 | E561 I566 F567 R579 | E561-T564 WeakPolarHBondContact O-CG2 2.86Å; T564-I566 PolarHBondContact O-N 3.36Å; T564-F567 CarbonylContact C-O 3.6Å; T564-F567 WeakPolarHBondContact CA-O 3.35Å; T564-F567 VanDerWaalsContact O-O 3.12Å; T564-R579 WeakPolarHBondContact O-CD 3.29Å; T564-R579 PolarHBondContact O-NH1 2.85Å |
| 565 | P | 89.6 | Confident | 95 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 17% | 0.169 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -20.3 | 171.5 | -20.4 | 34.4 | 0 | 0 | 0 | 113.1 | R490 H563 | R490-P565 HydrophobicContact CB-CG 4.2Å; H563-P565 VanDerWaalsContact C-N 3.32Å; H563-P565 VanDerWaalsContact O-N 3.16Å |
| 566 | I | 93.3 | Very high | 95 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -43.4 | -177.3 | -56.9 | 174.5 | 0 | 0 | 0 | 110.6 | H491 C512 H563 T564 V578 R579 L582 | H491-I566 HydrophobicContact CB-CD1 3.51Å; H491-I566 WeakPolarHBondContact ND1-CD1 3.1Å; C512-I566 HydrophobicContact CB-CD1 4.15Å; H563-I566 WeakPolarHBondContact O-CA 3.5Å; H563-I566 WeakPolarHBondContact O-CB 3.42Å; H563-I566 PolarHBondContact O-N 2.78Å; T564-I566 PolarHBondContact O-N 3.36Å; I566-V578 HydrophobicContact CG2-CG2 4.4Å; I566-V578 CarbonylContact O-C 3.51Å; I566-V578 WeakPolarHBondContact O-CA 3.21Å; I566-V578 WeakPolarHBondContact O-CG2 3.08Å; I566-R579 PolarHBondContact O-N 3.35Å; I566-L582 HydrophobicContact CD1-CD2 4.27Å; I566-L582 HydrophobicContact CG1-CD2 4.2Å; I566-L582 HydrophobicContact CG2-CD1 3.93Å; I566-L582 HydrophobicContact CG2-CD2 4.07Å; I566-L582 HydrophobicContact CG2-CG 4.27Å |
| 567 | F | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.8 | -176.9 | -54.5 | -67.6 | 0 | 0 | 0 | 111.6 | C512 L515 A516 L519 L560 H563 T564 V576 G577 | C512-F567 HydrophobicContact CB-CE2 4.34Å; C512-F567 HydrophobicContact CB-CZ 4.39Å; L515-F567 HydrophobicContact CB-CE1 3.85Å; L515-F567 HydrophobicContact CB-CZ 3.64Å; L515-F567 HydrophobicContact CD1-CZ 4.41Å; A516-F567 HydrophobicContact CB-CE1 4.19Å; A516-F567 HydrophobicContact CB-CZ 4.48Å; L519-F567 HydrophobicContact CD1-CD1 3.71Å; L519-F567 HydrophobicContact CD1-CE1 3.88Å; L560-F567 HydrophobicContact CD2-CB 4.2Å; L560-F567 HydrophobicContact CD2-CD1 4.09Å; L560-F567 HydrophobicContact CD2-CD2 3.65Å; L560-F567 HydrophobicContact CD2-CE1 4.41Å; L560-F567 HydrophobicContact CD2-CE2 4.01Å; L560-F567 HydrophobicContact CD2-CG 3.7Å; L560-F567 HydrophobicContact CD2-CZ 4.37Å; H563-F567 HydrophobicContact CB-CD2 3.74Å; H563-F567 HydrophobicContact CB-CE2 4.02Å; H563-F567 PolarHBondContact O-N 2.94Å; T564-F567 CarbonylContact C-O 3.6Å; T564-F567 WeakPolarHBondContact CA-O 3.35Å; T564-F567 VanDerWaalsContact O-O 3.12Å; F567-V576 HydrophobicContact CB-CG2 4.43Å; F567-G577 CarbonylContact C-O 3.47Å; F567-G577 WeakPolarHBondContact CA-O 3.37Å |
| 568 | A | 95.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 107.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | K353 V354 V576 G577 R579 | K353-A568 WeakPolarHBondContact O-CB 3.21Å; V354-A568 HydrophobicContact CB-CB 4.45Å; V354-A568 HydrophobicContact CG1-CB 4.33Å; A568-V576 CarbonylContact O-C 3.23Å; A568-V576 VanDerWaalsContact O-CA 3.27Å; A568-V576 WeakPolarHBondContact O-CA 3.45Å; A568-G577 PolarHBondContact N-O 3.22Å; A568-G577 PolarHBondContact O-N 3.23Å; A568-R579 HydrophobicContact CB-CG 3.77Å |
| 569 | I | 96.7 | Very high | 94.2 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 18% | 0.179 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.7 | 166.6 | -55.8 | -177.5 | 0 | 0 | 0 | 107.2 | L528 V557 L560 E561 R573 V576 | L528-I569 HydrophobicContact CD2-CG2 4.33Å; V557-I569 HydrophobicContact CG1-CD1 3.85Å; L560-I569 HydrophobicContact CB-CD1 3.86Å; L560-I569 HydrophobicContact CB-CG1 4.24Å; L560-I569 HydrophobicContact CD1-CD1 4.32Å; E561-I569 HydrophobicContact CG-CD1 3.75Å; I569-R573 HydrophobicContact CG2-CB 4.39Å; I569-R573 HydrophobicContact CG2-CG 4.21Å; I569-V576 HydrophobicContact CG1-CG2 4.26Å |
| 570 | F | 95.4 | Very high | 93 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | trans | -71.4 | 153.7 | -179.4 | -71.2 | -152.4 | 0 | 0 | 0 | 110.1 | F343 D345 V348 V354 L355 P388 C525 E572 R573 F575 | F343-F570 AromaticContact CE1-CD1 3.9Å; F343-F570 HydrophobicContact CE1-CD1 3.9Å; F343-F570 AromaticContact CE1-CE1 3.33Å; F343-F570 HydrophobicContact CE1-CE1 3.33Å; F343-F570 HydrophobicContact CE1-CZ 4.15Å; F343-F570 HydrophobicContact CZ-CD1 4.34Å; F343-F570 AromaticContact CZ-CE1 3.35Å; F343-F570 HydrophobicContact CZ-CE1 3.35Å; F343-F570 AromaticContact CZ-CZ 3.88Å; F343-F570 HydrophobicContact CZ-CZ 3.88Å; D345-F570 HydrophobicContact CB-CD1 4Å; D345-F570 VanDerWaalsContact OD2-CB 3.3Å; D345-F570 WeakPolarHBondContact OD2-CB 3.45Å; V348-F570 HydrophobicContact CG2-CD1 4.48Å; V354-F570 HydrophobicContact CB-CD2 3.76Å; V354-F570 HydrophobicContact CB-CE2 3.6Å; V354-F570 HydrophobicContact CB-CG 4.34Å; V354-F570 HydrophobicContact CB-CZ 4.05Å; V354-F570 HydrophobicContact CG1-CD2 3.79Å; V354-F570 HydrophobicContact CG1-CE2 4.17Å; V354-F570 HydrophobicContact CG1-CG 4.16Å; V354-F570 HydrophobicContact CG2-CE2 4.4Å; V354-F570 HydrophobicContact CG2-CZ 4.38Å; L355-F570 HydrophobicContact CD2-CZ 4.25Å; P388-F570 HydrophobicContact CG-CE1 4.31Å; P388-F570 HydrophobicContact CG-CZ 4.36Å; C525-F570 HydrophobicContact CB-CZ 4.48Å; F570-E572 PolarHBondContact O-N 2.94Å; F570-R573 WeakPolarHBondContact O-CA 3.23Å; F570-R573 PolarHBondContact O-N 3.12Å; F570-F575 HydrophobicContact CB-CB 4.3Å; F570-F575 HydrophobicContact CD1-CB 3.66Å; F570-F575 HydrophobicContact CD1-CD2 4.13Å; F570-F575 HydrophobicContact CD1-CG 4.31Å; F570-F575 HydrophobicContact CD2-CB 4.08Å; F570-F575 HydrophobicContact CE1-CB 3.83Å; F570-F575 HydrophobicContact CE1-CD2 4.41Å; F570-F575 HydrophobicContact CE1-CG 4.38Å; F570-F575 HydrophobicContact CE2-CB 4.27Å; F570-F575 HydrophobicContact CG-CB 3.77Å; F570-F575 HydrophobicContact CZ-CB 4.16Å; F570-F575 PolarHBondContact N-O 3.27Å | ||
| 571 | P | 95.2 | Very high | 91.7 | Very high | 66 Ų | 66 | 42 Ų | 42 | 43% | 0.429 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -42.2 | -173.7 | -29.2 | 38.3 | 0 | 0 | 0 | 114.9 | A347 V348 R573 | A347-P571 HydrophobicContact CB-CB 3.69Å; A347-P571 HydrophobicContact CB-CG 4.42Å; A347-P571 WeakPolarHBondContact O-CG 3.21Å; V348-P571 VanDerWaalsContact CG2-CD 3.5Å; V348-P571 HydrophobicContact CG2-CG 3.99Å; P571-R573 PolarHBondContact O-N 3.33Å |
| 572 | E | 94.4 | Very high | 90.8 | Very high | 137 Ų | 137 | 39.1 Ų | 39.1 | 64% | 0.64 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 0.1 | 176.7 | -72 | -68.8 | 158.2 | 0 | 0 | 113.4 | D345 A347 F570 A574 | D345-E572 WeakPolarHBondContact OD1-CG 3.3Å; D345-E572 WeakPolarHBondContact OD2-CB 3.43Å; D345-E572 PolarHBondContact OD2-N 2.97Å; D345-E572 VanDerWaalsContact OD2-N 3.09Å; A347-E572 HydrophobicContact CB-CG 4.17Å; F570-E572 PolarHBondContact O-N 2.94Å; E572-A574 PolarHBondContact O-N 3.07Å; E572-A574 VanDerWaalsContact O-N 3.08Å |
| 573 | R | 93.8 | Very high | 89.9 | Confident | 140 Ų | 140 | 39 Ų | 39 | 53% | 0.528 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 56.6 | 23.7 | -179.9 | -56 | -179.4 | 170.5 | -132.9 | -15.6 | 114 | L528 E561 I569 F570 P571 | L528-R573 HydrophobicContact CD2-CB 4.5Å; L528-R573 VanDerWaalsContact CD2-O 3.3Å; L528-R573 WeakPolarHBondContact CD2-O 3.29Å; E561-R573 IonicContact OE1-CZ 2.65Å; E561-R573 IonicContact OE1-NH1 3.32Å; E561-R573 IonicContact OE1-NH2 3.06Å; E561-R573 PolarHBondContact OE1-NH2 2.83Å; I569-R573 HydrophobicContact CG2-CB 4.39Å; I569-R573 HydrophobicContact CG2-CG 4.21Å; F570-R573 WeakPolarHBondContact O-CA 3.23Å; F570-R573 PolarHBondContact O-N 3.12Å; P571-R573 PolarHBondContact O-N 3.33Å |
| 574 | A | 93.7 | Very high | 88.8 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -83.6 | -35.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L528 E572 | L528-A574 PolarHBondContact N-O 3.21Å; E572-A574 PolarHBondContact O-N 3.07Å; E572-A574 VanDerWaalsContact O-N 3.08Å |
| 575 | F | 96.3 | Very high | 88.1 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 161.9 | -173.6 | -58.4 | -77.6 | 0 | 0 | 0 | 112.3 | P388 M526 F570 | P388-F575 HydrophobicContact CB-CD1 4Å; P388-F575 HydrophobicContact CB-CE1 4.25Å; P388-F575 HydrophobicContact CG-CB 4.23Å; P388-F575 HydrophobicContact CG-CD1 3.62Å; P388-F575 HydrophobicContact CG-CE1 4.07Å; P388-F575 HydrophobicContact CG-CG 3.88Å; M526-F575 WeakPolarHBondContact O-CA 3.38Å; F570-F575 HydrophobicContact CB-CB 4.3Å; F570-F575 HydrophobicContact CD1-CB 3.66Å; F570-F575 HydrophobicContact CD1-CD2 4.13Å; F570-F575 HydrophobicContact CD1-CG 4.31Å; F570-F575 HydrophobicContact CD2-CB 4.08Å; F570-F575 HydrophobicContact CE1-CB 3.83Å; F570-F575 HydrophobicContact CE1-CD2 4.41Å; F570-F575 HydrophobicContact CE1-CG 4.38Å; F570-F575 HydrophobicContact CE2-CB 4.27Å; F570-F575 HydrophobicContact CG-CB 3.77Å; F570-F575 HydrophobicContact CZ-CB 4.16Å; F570-F575 PolarHBondContact N-O 3.27Å |
| 576 | V | 96.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.6 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | L519 C525 M526 L528 L531 L560 F567 A568 I569 | L519-V576 HydrophobicContact CD1-CG2 4.47Å; L519-V576 HydrophobicContact CD2-CG1 4.14Å; L519-V576 WeakPolarHBondContact CD2-O 3.44Å; C525-V576 CarbonylContact C-O 3.55Å; C525-V576 WeakPolarHBondContact CA-O 3.25Å; C525-V576 WeakPolarHBondContact CB-O 3.49Å; M526-V576 PolarHBondContact N-O 3.04Å; M526-V576 PolarHBondContact O-N 3.31Å; L528-V576 HydrophobicContact CB-CG1 4.34Å; L528-V576 HydrophobicContact CD1-CB 4.18Å; L528-V576 HydrophobicContact CD1-CG1 3.98Å; L531-V576 HydrophobicContact CB-CG1 4.38Å; L531-V576 HydrophobicContact CD2-CG1 3.63Å; L560-V576 HydrophobicContact CD1-CG2 4.2Å; F567-V576 HydrophobicContact CB-CG2 4.43Å; A568-V576 CarbonylContact O-C 3.23Å; A568-V576 VanDerWaalsContact O-CA 3.27Å; A568-V576 WeakPolarHBondContact O-CA 3.45Å; I569-V576 HydrophobicContact CG1-CG2 4.26Å |
| 577 | G | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 162.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G524 F567 A568 | G524-G577 CarbonylContact O-C 3.43Å; G524-G577 WeakPolarHBondContact O-CA 3.36Å; F567-G577 CarbonylContact C-O 3.47Å; F567-G577 WeakPolarHBondContact CA-O 3.37Å; A568-G577 PolarHBondContact N-O 3.22Å; A568-G577 PolarHBondContact O-N 3.23Å |
| 578 | V | 93.5 | Very high | 87.3 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.3 | 167.2 | 70.4 | 0 | 0 | 0 | 0 | 109.3 | A516 L519 K520 G524 I566 S580 | A516-V578 HydrophobicContact CB-CG2 3.86Å; L519-V578 HydrophobicContact CB-CB 4.09Å; L519-V578 HydrophobicContact CB-CG1 4.17Å; L519-V578 HydrophobicContact CD1-CB 4.09Å; K520-V578 HydrophobicContact CG-CG1 4.12Å; G524-V578 WeakPolarHBondContact O-CG1 3.46Å; G524-V578 PolarHBondContact O-N 3.24Å; I566-V578 HydrophobicContact CG2-CG2 4.4Å; I566-V578 CarbonylContact O-C 3.51Å; I566-V578 WeakPolarHBondContact O-CA 3.21Å; I566-V578 WeakPolarHBondContact O-CG2 3.08Å; V578-S580 WeakPolarHBondContact CG2-O 3.32Å |
| 579 | R | 86.3 | Confident | 87 | Confident | 112 Ų | 112 | 49.7 Ų | 49.7 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | trans | -91.9 | -16.9 | -177.6 | -61.2 | -177.2 | 73.1 | -169.1 | 1.7 | 114 | C356 T564 I566 A568 | C356-R579 VanDerWaalsContact SG-CA 3.52Å; C356-R579 PolarHBondContact SG-O 2.79Å; C356-R579 VanDerWaalsContact SG-O 3.35Å; T564-R579 WeakPolarHBondContact O-CD 3.29Å; T564-R579 PolarHBondContact O-NH1 2.85Å; I566-R579 PolarHBondContact O-N 3.35Å; A568-R579 HydrophobicContact CB-CG 3.77Å | ||
| 580 | S | 71 | Confident | 86.7 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -138 | 132.1 | -171 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | V578 L582 | V578-S580 WeakPolarHBondContact CG2-O 3.32Å; S580-L582 PolarHBondContact O-N 2.88Å; S580-L582 VanDerWaalsContact OG-CD2 3.26Å; S580-L582 WeakPolarHBondContact OG-CD2 2.99Å |
| 581 | R | 70.5 | Confident | 86.5 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 19% | 0.192 | 24% | 0.244 | C | C | . | . | trans | -72.2 | 99.9 | 165.1 | -65.9 | -175.5 | -171.6 | -136 | -5.5 | 109.4 | M405 E426 T430 A583 | M405-R581 PolarHBondContact SD-NH2 3.1Å; E426-R581 VanDerWaalsContact OE1-CD 3.26Å; E426-R581 WeakPolarHBondContact OE1-CD 3.45Å; E426-R581 WeakPolarHBondContact OE1-CG 3.39Å; E426-R581 IonicContact OE1-CZ 2.73Å; E426-R581 IonicContact OE1-NE 3.36Å; E426-R581 PolarHBondContact OE1-NE 2.93Å; E426-R581 IonicContact OE1-NH2 3.6Å; T430-R581 VanDerWaalsContact CG2-NH1 3.27Å; T430-R581 WeakPolarHBondContact OG1-CD 3.31Å; T430-R581 PolarHBondContact OG1-NE 3.37Å; T430-R581 PolarHBondContact OG1-NH1 2.73Å; R581-A583 PolarHBondContact O-N 2.71Å | ||
| 582 | L | 75.7 | Confident | 86.1 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 121.1 | 172.6 | -53.4 | -173.4 | 0 | 0 | 0 | 109.6 | C512 L513 A516 K520 I566 S580 | C512-L582 HydrophobicContact CB-CD1 4.37Å; L513-L582 HydrophobicContact CD1-CB 4.18Å; A516-L582 HydrophobicContact CB-CD1 3.58Å; A516-L582 HydrophobicContact CB-CG 4.04Å; K520-L582 PolarHBondContact NZ-O 2.95Å; I566-L582 HydrophobicContact CD1-CD2 4.27Å; I566-L582 HydrophobicContact CG1-CD2 4.2Å; I566-L582 HydrophobicContact CG2-CD1 3.93Å; I566-L582 HydrophobicContact CG2-CD2 4.07Å; I566-L582 HydrophobicContact CG2-CG 4.27Å; S580-L582 PolarHBondContact O-N 2.88Å; S580-L582 VanDerWaalsContact OG-CD2 3.26Å; S580-L582 WeakPolarHBondContact OG-CD2 2.99Å |
| 583 | A | 71.6 | Confident | 85.8 | Confident | 26 Ų | 26 | 49 Ų | 49 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 141.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | E435 R581 F585 | E435-A583 HydrophobicContact CG-CB 3.71Å; R581-A583 PolarHBondContact O-N 2.71Å; A583-F585 PolarHBondContact O-N 3.43Å |
| 584 | F | 72 | Confident | 85.6 | Confident | 146 Ų | 146 | 43.6 Ų | 43.6 | 64% | 0.64 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -70.7 | 121.5 | 174.3 | 177.8 | -97.5 | 0 | 0 | 0 | 109.8 | L513 D586 | L513-F584 HydrophobicContact CD2-CD2 3.9Å; L513-F584 HydrophobicContact CD2-CE2 4.3Å; F584-D586 HydrophobicContact CE1-CB 4.33Å; F584-D586 HydrophobicContact CZ-CB 4.4Å |
| 585 | F | 77.2 | Confident | 85.3 | Confident | 18 Ų | 18 | 44 Ų | 44 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | trans | -120.7 | 135.7 | 168.8 | -177.7 | -118.2 | 0 | 0 | 0 | 109 | L436 N440 L443 Y509 A583 Y587 F590 | L436-F585 HydrophobicContact CD1-CD2 3.84Å; N440-F585 WeakPolarHBondContact OD1-CE2 3.47Å; L443-F585 HydrophobicContact CD1-CD1 3.86Å; L443-F585 HydrophobicContact CD1-CE1 3.06Å; L443-F585 HydrophobicContact CD1-CE2 4.21Å; L443-F585 HydrophobicContact CD1-CZ 3.28Å; Y509-F585 WeakPolarHBondContact CE1-O 3.3Å; Y509-F585 VanDerWaalsContact CZ-O 3.22Å; Y509-F585 WeakPolarHBondContact OH-CA 3.46Å; Y509-F585 PolarHBondContact OH-N 3.27Å; Y509-F585 PolarHBondContact OH-O 2.7Å; A583-F585 PolarHBondContact O-N 3.43Å; F585-Y587 VanDerWaalsContact CD1-CA 3.48Å; F585-Y587 AromaticContact CD1-CD2 3.8Å; F585-Y587 HydrophobicContact CD1-CD2 3.8Å; F585-Y587 HydrophobicContact CD1-CG 4.15Å; F585-Y587 VanDerWaalsContact CE1-CA 3.48Å; F585-Y587 AromaticContact CE1-CD2 3.7Å; F585-Y587 HydrophobicContact CE1-CD2 3.7Å; F585-Y587 HydrophobicContact CE1-CG 4.32Å; F585-Y587 PolarHBondContact O-N 3.06Å; F585-F590 HydrophobicContact CE1-CB 3.92Å; F585-F590 HydrophobicContact CE1-CG 4.27Å; F585-F590 HydrophobicContact CZ-CB 3.86Å; F585-F590 HydrophobicContact CZ-CG 4.23Å | ||
| 586 | D | 84.2 | Confident | 84.5 | Confident | 78 Ų | 78 | 44.8 Ų | 44.8 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | trans | -78.2 | 60.8 | 172.1 | -167.9 | 8.7 | 0 | 0 | 0 | 110.6 | F584 P588 S589 F590 | F584-D586 HydrophobicContact CE1-CB 4.33Å; F584-D586 HydrophobicContact CZ-CB 4.4Å; D586-P588 VanDerWaalsContact C-CD 3.43Å; D586-S589 VanDerWaalsContact CG-CB 3.41Å; D586-S589 PolarHBondContact O-N 2.96Å; D586-S589 PolarHBondContact OD1-N 3.25Å; D586-S589 PolarHBondContact OD1-OG 3.03Å; D586-S589 VanDerWaalsContact OD1-OG 3.12Å; D586-S589 WeakPolarHBondContact OD2-CB 3.29Å; D586-S589 PolarHBondContact OD2-OG 3.34Å; D586-F590 PolarHBondContact O-N 3.46Å; D586-F590 VanDerWaalsContact O-N 3.11Å | ||
| 587 | Y | 89.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -42 | -179.2 | -171.9 | -114 | 0 | 0 | 0 | 113.3 | L443 I492 V504 Y509 F585 S589 F590 L591 | L443-Y587 HydrophobicContact CD2-CE2 4.39Å; I492-Y587 HydrophobicContact CG2-CD2 4.15Å; I492-Y587 HydrophobicContact CG2-CE2 3.83Å; V504-Y587 PolarHBondContact N-OH 2.78Å; V504-Y587 VanDerWaalsContact N-OH 3.17Å; V504-Y587 WeakPolarHBondContact O-CE1 3.26Å; V504-Y587 VanDerWaalsContact O-CZ 3.24Å; V504-Y587 PolarHBondContact O-OH 2.8Å; Y509-Y587 HydrophobicContact CD1-CD1 4Å; Y509-Y587 HydrophobicContact CD1-CG 4.24Å; Y509-Y587 HydrophobicContact CD2-CD1 4.11Å; Y509-Y587 HydrophobicContact CD2-CG 4.14Å; Y509-Y587 AromaticContact CG-CD1 3.61Å; Y509-Y587 HydrophobicContact CG-CD1 3.61Å; Y509-Y587 HydrophobicContact CG-CE1 4.49Å; Y509-Y587 AromaticContact CG-CG 3.99Å; Y509-Y587 HydrophobicContact CG-CG 3.99Å; F585-Y587 VanDerWaalsContact CD1-CA 3.48Å; F585-Y587 AromaticContact CD1-CD2 3.8Å; F585-Y587 HydrophobicContact CD1-CD2 3.8Å; F585-Y587 HydrophobicContact CD1-CG 4.15Å; F585-Y587 VanDerWaalsContact CE1-CA 3.48Å; F585-Y587 AromaticContact CE1-CD2 3.7Å; F585-Y587 HydrophobicContact CE1-CD2 3.7Å; F585-Y587 HydrophobicContact CE1-CG 4.32Å; F585-Y587 PolarHBondContact O-N 3.06Å; Y587-S589 VanDerWaalsContact C-N 3.34Å; Y587-S589 PolarHBondContact O-N 3.46Å; Y587-F590 HydrophobicContact CD2-CD1 4.34Å; Y587-F590 HydrophobicContact CE2-CD1 4.21Å; Y587-F590 WeakPolarHBondContact O-CB 3.12Å; Y587-F590 PolarHBondContact O-N 2.83Å; Y587-L591 HydrophobicContact CD1-CD1 4Å; Y587-L591 HydrophobicContact CD1-CG 4.39Å; Y587-L591 HydrophobicContact CE1-CD1 3.45Å; Y587-L591 VanDerWaalsContact CE1-CD1 3.45Å; Y587-L591 HydrophobicContact CE1-CD2 4.44Å; Y587-L591 HydrophobicContact CE1-CG 3.98Å; Y587-L591 HydrophobicContact CE2-CD2 4.25Å; Y587-L591 HydrophobicContact CE2-CG 4.25Å; Y587-L591 PolarHBondContact O-N 3.04Å |
| 588 | P | 88.4 | Confident | 81.4 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 22% | 0.221 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 177.2 | -23.3 | 35.5 | 0 | 0 | 0 | 112.3 | S506 I510 D586 F590 L591 M592 | S506-P588 WeakPolarHBondContact OG-CG 3.3Å; I510-P588 HydrophobicContact CD1-CG 4.21Å; I510-P588 HydrophobicContact CG1-CG 4.4Å; D586-P588 VanDerWaalsContact C-CD 3.43Å; P588-F590 VanDerWaalsContact C-N 3.35Å; P588-F590 PolarHBondContact O-N 2.92Å; P588-L591 PolarHBondContact O-N 3.23Å; P588-M592 WeakPolarHBondContact O-CB 3.49Å; P588-M592 PolarHBondContact O-N 3.32Å |
| 589 | S | 88.5 | Confident | 79.7 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.5 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | D586 Y587 M592 E593 | D586-S589 VanDerWaalsContact CG-CB 3.41Å; D586-S589 PolarHBondContact O-N 2.96Å; D586-S589 PolarHBondContact OD1-N 3.25Å; D586-S589 PolarHBondContact OD1-OG 3.03Å; D586-S589 VanDerWaalsContact OD1-OG 3.12Å; D586-S589 WeakPolarHBondContact OD2-CB 3.29Å; D586-S589 PolarHBondContact OD2-OG 3.34Å; Y587-S589 VanDerWaalsContact C-N 3.34Å; Y587-S589 PolarHBondContact O-N 3.46Å; S589-M592 PolarHBondContact O-N 2.78Å; S589-E593 WeakPolarHBondContact O-CB 3.45Å; S589-E593 PolarHBondContact O-N 2.79Å |
| 590 | F | 91.2 | Very high | 78.3 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 174.3 | 166.3 | -95.3 | 0 | 0 | 0 | 112.3 | L443 R447 L503 F585 D586 Y587 P588 M592 T594 F595 | L443-F590 HydrophobicContact CB-CD2 4.3Å; L443-F590 HydrophobicContact CB-CE1 4.29Å; L443-F590 HydrophobicContact CB-CE2 3.75Å; L443-F590 HydrophobicContact CB-CZ 3.75Å; L443-F590 HydrophobicContact CD1-CD1 4.34Å; L443-F590 HydrophobicContact CD1-CE1 4.49Å; L443-F590 HydrophobicContact CD1-CG 4.39Å; L443-F590 HydrophobicContact CD2-CD1 4.27Å; L443-F590 HydrophobicContact CD2-CE1 3.74Å; L443-F590 HydrophobicContact CD2-CZ 3.99Å; L443-F590 HydrophobicContact CG-CE1 4.4Å; L443-F590 HydrophobicContact CG-CZ 4.35Å; L443-F590 WeakPolarHBondContact O-CZ 3.14Å; R447-F590 HydrophobicContact CB-CE2 4.19Å; L503-F590 HydrophobicContact CD1-CE1 3.95Å; F585-F590 HydrophobicContact CE1-CB 3.92Å; F585-F590 HydrophobicContact CE1-CG 4.27Å; F585-F590 HydrophobicContact CZ-CB 3.86Å; F585-F590 HydrophobicContact CZ-CG 4.23Å; D586-F590 PolarHBondContact O-N 3.46Å; D586-F590 VanDerWaalsContact O-N 3.11Å; Y587-F590 HydrophobicContact CD2-CD1 4.34Å; Y587-F590 HydrophobicContact CE2-CD1 4.21Å; Y587-F590 WeakPolarHBondContact O-CB 3.12Å; Y587-F590 PolarHBondContact O-N 2.83Å; P588-F590 VanDerWaalsContact C-N 3.35Å; P588-F590 PolarHBondContact O-N 2.92Å; F590-M592 VanDerWaalsContact C-N 3.32Å; F590-M592 PolarHBondContact O-N 3.35Å; F590-T594 WeakPolarHBondContact CE2-OG1 3.4Å; F590-T594 HydrophobicContact CZ-CG2 4.48Å; F590-T594 WeakPolarHBondContact O-CB 3.27Å; F590-T594 PolarHBondContact O-N 3.48Å; F590-T594 PolarHBondContact O-OG1 2.95Å; F590-F595 HydrophobicContact CE1-CE2 4.18Å |
| 591 | L | 90.1 | Very high | 77.7 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.1 | -71.2 | -179 | 0 | 0 | 0 | 111.2 | L503 Y587 P588 T594 F595 M603 | L503-L591 HydrophobicContact CD1-CD2 4.24Å; Y587-L591 HydrophobicContact CD1-CD1 4Å; Y587-L591 HydrophobicContact CD1-CG 4.39Å; Y587-L591 HydrophobicContact CE1-CD1 3.45Å; Y587-L591 VanDerWaalsContact CE1-CD1 3.45Å; Y587-L591 HydrophobicContact CE1-CD2 4.44Å; Y587-L591 HydrophobicContact CE1-CG 3.98Å; Y587-L591 HydrophobicContact CE2-CD2 4.25Å; Y587-L591 HydrophobicContact CE2-CG 4.25Å; Y587-L591 PolarHBondContact O-N 3.04Å; P588-L591 PolarHBondContact O-N 3.23Å; L591-T594 PolarHBondContact O-N 2.79Å; L591-F595 HydrophobicContact CD2-CD2 3.96Å; L591-F595 HydrophobicContact CD2-CE2 4.02Å; L591-F595 WeakPolarHBondContact O-CB 3.37Å; L591-F595 PolarHBondContact O-N 3.28Å; L591-M603 HydrophobicContact CD1-CE 4.21Å; L591-M603 HydrophobicContact CD2-CE 4Å; L591-M603 HydrophobicContact CD2-SD 4.35Å |
| 592 | M | 87.2 | Confident | 77.1 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 177.9 | -88.1 | -62.7 | -73 | 0 | 0 | 113.5 | P588 S589 F590 T594 G596 K598 | P588-M592 WeakPolarHBondContact O-CB 3.49Å; P588-M592 PolarHBondContact O-N 3.32Å; S589-M592 PolarHBondContact O-N 2.78Å; F590-M592 VanDerWaalsContact C-N 3.32Å; F590-M592 PolarHBondContact O-N 3.35Å; M592-T594 VanDerWaalsContact C-N 3.31Å; M592-T594 PolarHBondContact O-N 2.8Å; M592-G596 VanDerWaalsContact O-CA 3.23Å; M592-G596 WeakPolarHBondContact O-CA 3.42Å; M592-G596 PolarHBondContact O-N 3.27Å; M592-K598 HydrophobicContact CE-CD 4.45Å; M592-K598 HydrophobicContact CE-CG 3.6Å; M592-K598 HydrophobicContact CG-CB 4.41Å; M592-K598 HydrophobicContact CG-CG 4Å; M592-K598 WeakPolarHBondContact SD-CA 3.46Å; M592-K598 HydrophobicContact SD-CB 3.83Å; M592-K598 HydrophobicContact SD-CG 3.18Å; M592-K598 WeakPolarHBondContact SD-CG 3.25Å; M592-K598 PolarHBondContact SD-N 3.35Å |
| 593 | E | 89.1 | Confident | 76.3 | Confident | 147 Ų | 147 | 52.3 Ų | 52.3 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 179.6 | -173 | -167.5 | -179.7 | 0 | 0 | 111.4 | R447 S589 | R447-E593 IonicContact NH2-OE2 2.75Å; S589-E593 WeakPolarHBondContact O-CB 3.45Å; S589-E593 PolarHBondContact O-N 2.79Å |
| 594 | T | 88.6 | Confident | 75.3 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 16% | 0.16 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -84.5 | -39.8 | -171.6 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | R447 F590 L591 M592 | R447-T594 HydrophobicContact CB-CG2 3.95Å; R447-T594 HydrophobicContact CG-CG2 3.91Å; F590-T594 WeakPolarHBondContact CE2-OG1 3.4Å; F590-T594 HydrophobicContact CZ-CG2 4.48Å; F590-T594 WeakPolarHBondContact O-CB 3.27Å; F590-T594 PolarHBondContact O-N 3.48Å; F590-T594 PolarHBondContact O-OG1 2.95Å; L591-T594 PolarHBondContact O-N 2.79Å; M592-T594 VanDerWaalsContact C-N 3.31Å; M592-T594 PolarHBondContact O-N 2.8Å |
| 595 | F | 87 | Confident | 74.3 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 24% | 0.237 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -122 | -10 | -169.9 | -52.6 | -70.4 | 0 | 0 | 0 | 113.9 | T451 T452 L503 F590 L591 D597 | T451-F595 VanDerWaalsContact O-CZ 3.31Å; T451-F595 WeakPolarHBondContact O-CZ 3.46Å; T452-F595 HydrophobicContact CG2-CD1 4.03Å; T452-F595 HydrophobicContact CG2-CD2 4.4Å; T452-F595 HydrophobicContact CG2-CE1 3.84Å; T452-F595 HydrophobicContact CG2-CE2 4.23Å; T452-F595 HydrophobicContact CG2-CG 4.31Å; T452-F595 HydrophobicContact CG2-CZ 3.94Å; L503-F595 HydrophobicContact CD1-CE2 3.66Å; L503-F595 HydrophobicContact CD1-CZ 3.89Å; F590-F595 HydrophobicContact CE1-CE2 4.18Å; L591-F595 HydrophobicContact CD2-CD2 3.96Å; L591-F595 HydrophobicContact CD2-CE2 4.02Å; L591-F595 WeakPolarHBondContact O-CB 3.37Å; L591-F595 PolarHBondContact O-N 3.28Å; F595-D597 VanDerWaalsContact C-N 3.25Å; F595-D597 PolarHBondContact O-N 3.23Å |
| 596 | G | 80.2 | Confident | 73 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 71.3 | 17.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | M592 | M592-G596 VanDerWaalsContact O-CA 3.23Å; M592-G596 WeakPolarHBondContact O-CA 3.42Å; M592-G596 PolarHBondContact O-N 3.27Å |
| 597 | D | 68.1 | Low | 71.5 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | trans | -116.2 | 118.8 | -176.7 | -173 | -10.7 | 0 | 0 | 0 | 110.2 | F595 D599 G600 S601 S602 | F595-D597 VanDerWaalsContact C-N 3.25Å; F595-D597 PolarHBondContact O-N 3.23Å; D597-D599 VanDerWaalsContact C-N 3.35Å; D597-D599 PolarHBondContact OD1-N 2.96Å; D597-G600 VanDerWaalsContact CG-CA 3.5Å; D597-G600 VanDerWaalsContact CG-N 3.33Å; D597-G600 PolarHBondContact OD1-N 3.12Å; D597-G600 VanDerWaalsContact OD2-CA 3.28Å; D597-G600 WeakPolarHBondContact OD2-CA 3.42Å; D597-S601 PolarHBondContact OD1-N 2.72Å; D597-S601 PolarHBondContact OD2-N 2.79Å; D597-S602 WeakPolarHBondContact OD2-CB 3.28Å; D597-S602 PolarHBondContact OD2-N 2.86Å; D597-S602 PolarHBondContact OD2-OG 2.77Å | ||
| 598 | K | 58.6 | Low | 69.5 | Low | 145 Ų | 145 | 66.3 Ų | 66.3 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -67.8 | -38 | -175.5 | -76.5 | -172.7 | 176 | -173.8 | 0 | 112.1 | M592 | M592-K598 HydrophobicContact CE-CD 4.45Å; M592-K598 HydrophobicContact CE-CG 3.6Å; M592-K598 HydrophobicContact CG-CB 4.41Å; M592-K598 HydrophobicContact CG-CG 4Å; M592-K598 WeakPolarHBondContact SD-CA 3.46Å; M592-K598 HydrophobicContact SD-CB 3.83Å; M592-K598 HydrophobicContact SD-CG 3.18Å; M592-K598 WeakPolarHBondContact SD-CG 3.25Å; M592-K598 PolarHBondContact SD-N 3.35Å |
| 599 | D | 58.1 | Low | 67.5 | Low | 60 Ų | 60 | 70.6 Ų | 70.6 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -109.2 | -13.9 | -167.5 | -48.1 | -33.8 | 0 | 0 | 0 | 110.9 | S506 D597 S601 | S506-D599 PolarHBondContact N-O 2.96Å; S506-D599 VanDerWaalsContact N-O 3.11Å; D597-D599 VanDerWaalsContact C-N 3.35Å; D597-D599 PolarHBondContact OD1-N 2.96Å; D599-S601 VanDerWaalsContact C-N 3.27Å |
| 600 | G | 56.5 | Low | 65.7 | Low | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | trans | 74 | 21.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D597 S602 M603 L604 | D597-G600 VanDerWaalsContact CG-CA 3.5Å; D597-G600 VanDerWaalsContact CG-N 3.33Å; D597-G600 PolarHBondContact OD1-N 3.12Å; D597-G600 VanDerWaalsContact OD2-CA 3.28Å; D597-G600 WeakPolarHBondContact OD2-CA 3.42Å; G600-S602 PolarHBondContact O-N 3.3Å; G600-M603 WeakPolarHBondContact O-CA 3.05Å; G600-M603 WeakPolarHBondContact O-CB 3.12Å; G600-M603 WeakPolarHBondContact O-CG 3.46Å; G600-M603 PolarHBondContact O-N 3.44Å; G600-L604 PolarHBondContact O-N 3.42Å | ||
| 601 | S | 58.1 | Low | 63.5 | Low | 62 Ų | 62 | 72.4 Ų | 72.4 | 43% | 0.434 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.4 | -33.4 | -179.4 | -74 | 0 | 0 | 0 | 0 | 112.8 | D597 D599 M603 L604 | D597-S601 PolarHBondContact OD1-N 2.72Å; D597-S601 PolarHBondContact OD2-N 2.79Å; D599-S601 VanDerWaalsContact C-N 3.27Å; S601-M603 PolarHBondContact O-N 3.09Å; S601-L604 PolarHBondContact O-N 3.46Å |
| 602 | S | 58.7 | Low | 61.3 | Low | 67 Ų | 67 | 78 Ų | 78 | 47% | 0.469 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -25.3 | 172.1 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | D597 G600 | D597-S602 WeakPolarHBondContact OD2-CB 3.28Å; D597-S602 PolarHBondContact OD2-N 2.86Å; D597-S602 PolarHBondContact OD2-OG 2.77Å; G600-S602 PolarHBondContact O-N 3.3Å |
| 603 | M | 58.8 | Low | 58.6 | Low | 12 Ų | 12 | 78.2 Ų | 78.2 | 6% | 0.059 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76.4 | -38 | 175.6 | -47.6 | -150 | -67.6 | 0 | 0 | 112.1 | T452 L503 V504 L591 G600 S601 R605 R606 | T452-M603 VanDerWaalsContact CB-SD 3.52Å; T452-M603 HydrophobicContact CG2-CG 3.81Å; T452-M603 HydrophobicContact CG2-SD 3.35Å; T452-M603 WeakPolarHBondContact CG2-SD 3.32Å; L503-M603 HydrophobicContact CB-CE 3.82Å; L503-M603 HydrophobicContact CB-SD 3.77Å; L503-M603 WeakPolarHBondContact O-CE 3.32Å; V504-M603 WeakPolarHBondContact O-CE 3.34Å; L591-M603 HydrophobicContact CD1-CE 4.21Å; L591-M603 HydrophobicContact CD2-CE 4Å; L591-M603 HydrophobicContact CD2-SD 4.35Å; G600-M603 WeakPolarHBondContact O-CA 3.05Å; G600-M603 WeakPolarHBondContact O-CB 3.12Å; G600-M603 WeakPolarHBondContact O-CG 3.46Å; G600-M603 PolarHBondContact O-N 3.44Å; S601-M603 PolarHBondContact O-N 3.09Å; M603-R605 VanDerWaalsContact C-N 3.27Å; M603-R605 PolarHBondContact O-N 3.18Å; M603-R606 PolarHBondContact O-N 2.81Å |
| 604 | L | 51.2 | Low | 55.8 | Low | 60 Ų | 60 | 75.9 Ų | 75.9 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | -179.8 | -77.4 | 171.6 | 0 | 0 | 0 | 113.4 | P505 G600 S601 R606 L611 | P505-L604 HydrophobicContact CG-CD1 4.44Å; P505-L604 HydrophobicContact CG-CD2 3.64Å; P505-L604 HydrophobicContact CG-CG 3.76Å; G600-L604 PolarHBondContact O-N 3.42Å; S601-L604 PolarHBondContact O-N 3.46Å; L604-R606 PolarHBondContact O-N 2.87Å; L604-R606 VanDerWaalsContact O-N 3.09Å; L604-L611 HydrophobicContact CD2-CD1 4.47Å |
| 605 | R | 49.8 | Very low | 52.8 | Low | 229 Ų | 229 | 78.6 Ų | 78.6 | 86% | 0.864 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.7 | -177.3 | -77.4 | -162.5 | 177 | -168.6 | 0.9 | 114.2 | M603 | M603-R605 VanDerWaalsContact C-N 3.27Å; M603-R605 PolarHBondContact O-N 3.18Å |
| 606 | R | 51.9 | Low | 49.8 | Very low | 150 Ų | 150 | 83.9 Ų | 83.9 | 57% | 0.566 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -28 | -173.2 | -66.2 | -170.2 | -173.9 | -176.8 | 3.8 | 114.6 | E453 M603 L604 | E453-R606 IonicContact OE1-NH1 2.85Å; E453-R606 PolarHBondContact OE1-NH1 3.39Å; M603-R606 PolarHBondContact O-N 2.81Å; L604-R606 PolarHBondContact O-N 2.87Å; L604-R606 VanDerWaalsContact O-N 3.09Å |
| 607 | Y | 52.4 | Low | 47.1 | Very low | 61 Ų | 61 | 87.9 Ų | 87.9 | 24% | 0.239 | 46% | 0.461 | C | S | . | . | trans | -143.3 | 53.3 | -174 | -56.9 | -79.7 | 0 | 0 | 0 | 113.7 | E453 L496 N609 E610 L611 | E453-Y607 VanDerWaalsContact OE2-CE2 3.25Å; E453-Y607 WeakPolarHBondContact OE2-CE2 3.29Å; E453-Y607 PolarHBondContact OE2-OH 2.65Å; L496-Y607 HydrophobicContact CD1-CD1 4.03Å; L496-Y607 HydrophobicContact CD1-CE1 3.68Å; L496-Y607 HydrophobicContact CD1-CE2 4.38Å; Y607-N609 PolarHBondContact O-N 3.47Å; Y607-E610 PolarHBondContact O-N 2.96Å; Y607-L611 VanDerWaalsContact O-CB 3.28Å; Y607-L611 WeakPolarHBondContact O-CB 3.45Å; Y607-L611 PolarHBondContact O-N 3.15Å | ||
| 608 | P | 46.6 | Very low | 44.9 | Very low | 63 Ų | 63 | 91.3 Ų | 91.3 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.4 | -51.5 | -177.9 | 22.5 | -31.4 | 0 | 0 | 0 | 110.7 | H612 | P608-H612 VanDerWaalsContact O-CB 3.24Å; P608-H612 WeakPolarHBondContact O-CB 3.22Å; P608-H612 PolarHBondContact O-CD2 3.33Å; P608-H612 PolarHBondContact O-N 3.3Å; P608-H612 VanDerWaalsContact O-N 3.15Å |
| 609 | N | 47.4 | Very low | 43.2 | Very low | 123 Ų | 123 | 90 Ų | 90 | 66% | 0.658 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.3 | -33.3 | -174.9 | -66.9 | -17.2 | 0 | 0 | 0 | 113.3 | Y607 H612 S613 | Y607-N609 PolarHBondContact O-N 3.47Å; N609-H612 CarbonylContact O-C 3.17Å; N609-H612 PolarHBondContact O-N 2.73Å; N609-S613 WeakPolarHBondContact O-CB 3.33Å; N609-S613 PolarHBondContact O-N 3.43Å; N609-S613 PolarHBondContact O-OG 2.98Å |
| 610 | E | 49.4 | Very low | 41.5 | Very low | 92 Ų | 92 | 93.5 Ų | 93.5 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -80.8 | -28.7 | -179.4 | -63.9 | -166.4 | -172.3 | 0 | 0 | 113 | L496 Y607 H612 | L496-E610 HydrophobicContact CD2-CB 4.18Å; Y607-E610 PolarHBondContact O-N 2.96Å; E610-H612 PolarHBondContact O-N 3.27Å |
| 611 | L | 45.1 | Very low | 39.9 | Very low | 11 Ų | 11 | 102.3 Ų | 102.3 | 6% | 0.058 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -69.7 | -22.5 | 165.3 | -77.4 | 156.6 | 0 | 0 | 0 | 112 | F494 K562 L604 Y607 | F494-L611 HydrophobicContact CD1-CD2 3.77Å; F494-L611 HydrophobicContact CD1-CG 4.41Å; F494-L611 HydrophobicContact CE1-CD2 4.22Å; F494-L611 HydrophobicContact CG-CD2 4.24Å; K562-L611 WeakPolarHBondContact CE-O 3.46Å; K562-L611 PolarHBondContact NZ-O 3.18Å; L604-L611 HydrophobicContact CD2-CD1 4.47Å; Y607-L611 VanDerWaalsContact O-CB 3.28Å; Y607-L611 WeakPolarHBondContact O-CB 3.45Å; Y607-L611 PolarHBondContact O-N 3.15Å |
| 612 | H | 44.5 | Very low | 38.2 | Very low | 119 Ų | 119 | 106.4 Ų | 106.4 | 55% | 0.551 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -104 | -11.9 | -177.5 | -65.6 | -47.9 | 0 | 0 | 0 | 115.4 | P608 N609 E610 | P608-H612 VanDerWaalsContact O-CB 3.24Å; P608-H612 WeakPolarHBondContact O-CB 3.22Å; P608-H612 PolarHBondContact O-CD2 3.33Å; P608-H612 PolarHBondContact O-N 3.3Å; P608-H612 VanDerWaalsContact O-N 3.15Å; N609-H612 CarbonylContact O-C 3.17Å; N609-H612 PolarHBondContact O-N 2.73Å; E610-H612 PolarHBondContact O-N 3.27Å |
| 613 | S | 31.4 | Very low | 36.5 | Very low | 75 Ų | 75 | 108.9 Ų | 108.9 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | trans | -121.1 | 114.5 | -177.3 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | N609 | N609-S613 WeakPolarHBondContact O-CB 3.33Å; N609-S613 PolarHBondContact O-N 3.43Å; N609-S613 PolarHBondContact O-OG 2.98Å | ||
| 614 | V | 30.2 | Very low | 34.9 | Very low | 98 Ų | 98 | 112.6 Ų | 112.6 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | trans | -94.7 | 116.5 | 158.8 | 174.7 | 0 | 0 | 0 | 0 | 106.2 | L616 | V614-L616 PolarHBondContact O-N 3.2Š| ||
| 615 | A | 24.4 | Very low | 33.5 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | trans | -68.2 | 127.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | V617 | A615-V617 PolarHBondContact O-N 3.22Å; A615-V617 VanDerWaalsContact O-N 3.11Å | ||
| 616 | L | 25.1 | Very low | 32.4 | Very low | 164 Ų | 164 | 117.7 Ų | 117.7 | 86% | 0.859 | 65% | 0.646 | S | S | * | * | trans | -54.1 | 113.2 | 162 | -69.8 | 163.7 | 0 | 0 | 0 | 107.5 | V614 S618 | V614-L616 PolarHBondContact O-N 3.2Å; L616-S618 VanDerWaalsContact C-N 3.32Å; L616-S618 PolarHBondContact O-N 2.9Å | ||
| 617 | V | 22.4 | Very low | 31 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 87% | 0.873 | 65% | 0.652 | S | S | * | * | trans | -61.9 | 100.8 | 167.7 | 177.1 | 0 | 0 | 0 | 0 | 106.3 | A615 | A615-V617 PolarHBondContact O-N 3.22Å; A615-V617 VanDerWaalsContact O-N 3.11Å | ||
| 618 | S | 21.9 | Very low | 29.5 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | trans | -77.6 | 132.3 | 166.5 | 30.5 | 0 | 0 | 0 | 0 | 107.4 | L616 V620 | L616-S618 VanDerWaalsContact C-N 3.32Å; L616-S618 PolarHBondContact O-N 2.9Å; S618-V620 PolarHBondContact O-N 3.37Å | ||
| 619 | P | 22.7 | Very low | 28.5 | Very low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -62 | 132 | -177.7 | 16.9 | -22.5 | 0 | 0 | 0 | 110.2 | Q621 | P619-Q621 PolarHBondContact O-N 2.83Å; P619-Q621 VanDerWaalsContact O-N 3.1Å | ||
| 620 | V | 22.6 | Very low | 27.3 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | trans | -44.8 | 112.9 | 179.4 | 175.9 | 0 | 0 | 0 | 0 | 110.1 | S618 N622 | S618-V620 PolarHBondContact O-N 3.37Å; V620-N622 PolarHBondContact O-N 2.96Å; V620-N622 VanDerWaalsContact O-N 3.11Å | ||
| 621 | Q | 23.3 | Very low | 26.1 | Very low | 186 Ų | 186 | 127.9 Ų | 127.9 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -65.4 | 109.5 | 168.7 | -79.7 | -175.1 | -24.1 | 0 | 0 | 108.4 | P619 S623 | P619-Q621 PolarHBondContact O-N 2.83Å; P619-Q621 VanDerWaalsContact O-N 3.1Å; Q621-S623 PolarHBondContact O-N 3.08Å | ||
| 622 | N | 22.6 | Very low | 25.1 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -54.4 | 120.2 | 170.3 | -84.6 | -27.6 | 0 | 0 | 0 | 109.9 | V620 S624 | V620-N622 PolarHBondContact O-N 2.96Å; V620-N622 VanDerWaalsContact O-N 3.11Å; N622-S624 PolarHBondContact O-N 3.47Å | ||
| 623 | S | 22.8 | Very low | 24.1 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 72.7 | 173.8 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | Q621 K625 | Q621-S623 PolarHBondContact O-N 3.08Å; S623-K625 PolarHBondContact O-N 3Å | ||
| 624 | S | 24.8 | Very low | 23.8 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 114.7 | 167.3 | 60.2 | 0 | 0 | 0 | 0 | 109.1 | N622 F626 | N622-S624 PolarHBondContact O-N 3.47Å; S624-F626 PolarHBondContact O-N 2.71Å | ||
| 625 | K | 22.8 | Very low | 23.5 | Very low | 212 Ų | 212 | 136.1 Ų | 136.1 | 92% | 0.922 | 78% | 0.783 | S | S | * | * | trans | -57.9 | 91.5 | 171.1 | -71.1 | 170.9 | 175.3 | 173.3 | 0 | 109.5 | S623 | S623-K625 PolarHBondContact O-N 3Š| ||
| 626 | F | 25.3 | Very low | 23.6 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -100.4 | 115 | 158.8 | -91.8 | -80.8 | 0 | 0 | 0 | 109.6 | S624 | S624-F626 PolarHBondContact O-N 2.71Š| ||
| 627 | S | 22.6 | Very low | 23.6 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -54.6 | 133.8 | 175.3 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | S629 | S627-S629 PolarHBondContact O-N 2.83Š| ||
| 628 | H | 22 | Very low | 23.6 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 12 | 101.8 | 148.7 | -63.8 | -73.5 | 0 | 0 | 0 | 117.8 | ||||
| 629 | S | 24.5 | Very low | 23.8 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -131.4 | 104.9 | 145.9 | 62.4 | 0 | 0 | 0 | 0 | 108.8 | S627 F631 | S627-S629 PolarHBondContact O-N 2.83Å; S629-F631 PolarHBondContact O-N 2.83Å | ||
| 630 | V | 22.5 | Very low | 23.9 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -65.6 | 107.7 | 171.5 | 175.1 | 0 | 0 | 0 | 0 | 107.7 | V632 | V630-V632 HydrophobicContact CG1-CG2 4.32Š| ||
| 631 | F | 23.7 | Very low | 24 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -116.4 | 108.3 | 163.5 | -93.4 | -82.7 | 0 | 0 | 0 | 108.7 | S629 | S629-F631 PolarHBondContact O-N 2.83Š| ||
| 632 | V | 24.8 | Very low | 24 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | -66.2 | 134.8 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | V630 T634 | V630-V632 HydrophobicContact CG1-CG2 4.32Å; V632-T634 PolarHBondContact O-N 2.78Å | ||
| 633 | P | 22.7 | Very low | 24.1 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -73.7 | 111 | -178.4 | 28 | -32.2 | 0 | 0 | 0 | 110.7 | ||||
| 634 | T | 25.7 | Very low | 24.1 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -88.1 | 107.4 | 165.7 | 47.9 | 0 | 0 | 0 | 0 | 109.5 | V632 | V632-T634 PolarHBondContact O-N 2.78Š| ||
| 635 | S | 24.1 | Very low | 24.1 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -66.4 | 121 | 168.9 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 636 | T | 26.3 | Very low | 24.1 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -150.6 | 114.9 | 147.3 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 637 | P | 25.3 | Very low | 24.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122.9 | 175.2 | 29.2 | -29.3 | 0 | 0 | 0 | 110 | ||
| 638 | V | 23.3 | Very low | 24.4 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 119.8 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V640 | V638-V640 PolarHBondContact O-N 2.89Š|
| 639 | P | 25.8 | Very low | 24.5 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120.8 | 178.3 | 29.3 | -30.4 | 0 | 0 | 0 | 110 | M641 | P639-M641 PolarHBondContact O-N 3.16Š|
| 640 | V | 25.2 | Very low | 24.6 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 110.8 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | V638 V642 | V638-V640 PolarHBondContact O-N 2.89Å; V640-V642 PolarHBondContact O-N 3.17Å | ||
| 641 | M | 23.1 | Very low | 25 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -63.8 | 117.1 | 171.7 | -88.6 | -171.8 | -175.4 | 0 | 0 | 110.1 | P639 A643 | P639-M641 PolarHBondContact O-N 3.16Å; M641-A643 PolarHBondContact O-N 3.43Å | ||
| 642 | V | 24.1 | Very low | 24.9 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 104.8 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | V640 K644 | V640-V642 PolarHBondContact O-N 3.17Å; V642-K644 PolarHBondContact O-N 3.22Å | ||
| 643 | A | 25.3 | Very low | 25.1 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 114 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | M641 L645 | M641-A643 PolarHBondContact O-N 3.43Å; A643-L645 PolarHBondContact O-N 3.43Å | ||
| 644 | K | 22.4 | Very low | 25.1 | Very low | 208 Ų | 208 | 135.7 Ų | 135.7 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -79.1 | 91.9 | 177.9 | -163.7 | 176 | -171.5 | 177 | 0 | 108.5 | V642 | V642-K644 PolarHBondContact O-N 3.22Š| ||
| 645 | L | 23.7 | Very low | 25.1 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | trans | -93.5 | 96.3 | 171.2 | -157.2 | 74.1 | 0 | 0 | 0 | 108.5 | A643 | A643-L645 PolarHBondContact O-N 3.43Š| ||
| 646 | G | 23.8 | Very low | 25.1 | Very low | 51 Ų | 51 | 136.6 Ų | 136.6 | 53% | 0.526 | 81% | 0.809 | S | S | . | * | trans | -82.5 | 149.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 647 | D | 26.3 | Very low | 25 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | 62.5 | 90.5 | 142.8 | -51.2 | -27 | 0 | 0 | 0 | 118.4 | ||||
| 648 | N | 26.9 | Very low | 25.1 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 95% | 0.952 | 81% | 0.809 | S | S | * | * | trans | -130 | 74.2 | 139.8 | -87.2 | -48.2 | 0 | 0 | 0 | 109.2 | ||||
| 649 | L | 24.1 | Very low | 25.2 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -88.3 | 107.6 | 156.1 | -79.9 | 160.8 | 0 | 0 | 0 | 106.8 | ||||
| 650 | N | 27.7 | Very low | 25.3 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -177.8 | 139.7 | 148.8 | -92.6 | -24.5 | 0 | 0 | 0 | 111.3 | ||||
| 651 | N | 29.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 83.7 | 105.5 | -177.6 | -51.2 | -18.5 | 0 | 0 | 0 | 112.7 | ||||
| 652 | G | 23 | Very low | 25.3 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | cis | 100.5 | 63 | 38.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 653 | A | 28.2 | Very low | 25.4 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -145.5 | 119.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 654 | L | 21.7 | Very low | 25.3 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | -126.3 | 153.3 | -161.2 | -136.1 | 155.4 | 0 | 0 | 0 | 105.6 | ||||
| 655 | L | 27.4 | Very low | 25.3 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | 87.6 | 102.7 | 166.1 | -49.9 | 174.7 | 0 | 0 | 0 | 115.9 | ||||
| 656 | T | 23.7 | Very low | 25.2 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | 65.9 | 131.8 | 73.3 | 61.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 657 | S | 23.4 | Very low | 25.2 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | 96.9 | 109 | 157.8 | -164.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 658 | L | 28.5 | Very low | 25 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | -171.4 | 136.7 | 101.9 | -90.1 | 167.1 | 0 | 0 | 0 | 110.6 | |||||
| 659 | N | 24.9 | Very low | 24.9 | Very low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 137.2 | 179.5 | -66.4 | -52 | 0 | 0 | 0 | 113 | ||||
| 660 | S | 27.1 | Very low | 24.9 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -133.7 | 95.1 | 145.3 | 68.3 | 0 | 0 | 0 | 0 | 109.9 | V662 | S660-V662 PolarHBondContact O-N 3.46Š| ||
| 661 | S | 24.6 | Very low | 25 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 36.5 | 80.3 | 147.1 | 55.4 | 0 | 0 | 0 | 0 | 117.4 | C663 | S661-C663 PolarHBondContact O-N 3.34Š| ||
| 662 | V | 24.7 | Very low | 24.8 | Very low | 141 Ų | 141 | 125 Ų | 125 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -67.4 | 91.8 | 147.3 | 178.7 | 0 | 0 | 0 | 0 | 106.3 | S660 A664 | S660-V662 PolarHBondContact O-N 3.46Å; V662-A664 VanDerWaalsContact C-N 3.26Å; V662-A664 PolarHBondContact O-N 3.38Å | ||
| 663 | C | 25.7 | Very low | 24.9 | Very low | 108 Ų | 108 | 129 Ų | 129 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -66.8 | 93.9 | 165.4 | -84.1 | 0 | 0 | 0 | 0 | 107.7 | S661 L665 | S661-C663 PolarHBondContact O-N 3.34Å; C663-L665 VanDerWaalsContact C-N 3.26Å; C663-L665 PolarHBondContact O-N 2.85Å | ||
| 664 | A | 23.5 | Very low | 24.8 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -57.8 | 90.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | V662 K666 | V662-A664 VanDerWaalsContact C-N 3.26Å; V662-A664 PolarHBondContact O-N 3.38Å; A664-K666 PolarHBondContact O-N 2.98Å | ||
| 665 | L | 22.6 | Very low | 25 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -69 | 101 | 165 | -86 | 163.4 | 0 | 0 | 0 | 107.4 | C663 A667 | C663-L665 VanDerWaalsContact C-N 3.26Å; C663-L665 PolarHBondContact O-N 2.85Å; L665-A667 PolarHBondContact O-N 2.84Å | ||
| 666 | K | 22 | Very low | 24.6 | Very low | 190 Ų | 190 | 129 Ų | 129 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -29.1 | 105.3 | 165 | -99.5 | 168.7 | 167.7 | 170.5 | 0 | 111.2 | A664 V668 | A664-K666 PolarHBondContact O-N 2.98Å; K666-V668 VanDerWaalsContact C-N 3.34Å; K666-V668 PolarHBondContact O-N 3.46Å | ||
| 667 | A | 23 | Very low | 24.7 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -65.4 | 99 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | L665 S669 | L665-A667 PolarHBondContact O-N 2.84Å; A667-S669 VanDerWaalsContact C-N 3.3Å; A667-S669 PolarHBondContact O-N 2.94Å; A667-S669 VanDerWaalsContact O-N 3.08Å | ||
| 668 | V | 22.9 | Very low | 24.6 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -75.4 | 91.7 | 166.1 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | K666 P670 | K666-V668 VanDerWaalsContact C-N 3.34Å; K666-V668 PolarHBondContact O-N 3.46Å; V668-P670 WeakPolarHBondContact O-CD 3.41Å | ||
| 669 | S | 23.5 | Very low | 24.8 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 57% | 0.573 | 77% | 0.772 | S | S | * | * | trans | -64.9 | 122.4 | 167 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | A667 Y671 | A667-S669 VanDerWaalsContact C-N 3.3Å; A667-S669 PolarHBondContact O-N 2.94Å; A667-S669 VanDerWaalsContact O-N 3.08Å; S669-Y671 PolarHBondContact O-N 3.27Å; S669-Y671 PolarHBondContact OG-N 3.07Å | ||
| 670 | P | 25.8 | Very low | 24.7 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -72.5 | -0.7 | 175.8 | -14 | 29.4 | 0 | 0 | 0 | 113.7 | V668 G672 | V668-P670 WeakPolarHBondContact O-CD 3.41Å; P670-G672 PolarHBondContact O-N 3.27Å |
| 671 | Y | 29.9 | Very low | 24.3 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -101.1 | 86.2 | -178.2 | -62.2 | -73.9 | 0 | 0 | 0 | 110 | S669 | S669-Y671 PolarHBondContact O-N 3.27Å; S669-Y671 PolarHBondContact OG-N 3.07Å | ||
| 672 | G | 25.5 | Very low | 24.3 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | -62.4 | 132.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P670 M674 | P670-G672 PolarHBondContact O-N 3.27Å; G672-M674 PolarHBondContact O-N 2.78Å | ||
| 673 | N | 25.3 | Very low | 24 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | -45.1 | 118.3 | 175.1 | -69.1 | -37.4 | 0 | 0 | 0 | 112.8 | ||||
| 674 | M | 24.7 | Very low | 23.9 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -122.2 | 139.6 | 155.2 | -104.8 | -86.2 | 160.4 | 0 | 0 | 108.9 | G672 | G672-M674 PolarHBondContact O-N 2.78Š| ||
| 675 | P | 25.3 | Very low | 23.9 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -83.4 | 151 | -161 | 7.4 | 9.5 | 0 | 0 | 0 | 113.1 | I677 | P675-I677 PolarHBondContact O-N 2.91Š| ||
| 676 | S | 21 | Very low | 23.8 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -40.5 | 120.3 | 167.3 | 53.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 677 | I | 25.8 | Very low | 23.8 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -127.7 | 110.7 | 148.4 | -64.2 | 177.1 | 0 | 0 | 0 | 106.9 | P675 | P675-I677 PolarHBondContact O-N 2.91Š| ||
| 678 | A | 20.7 | Very low | 23.7 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -83.6 | -175.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 679 | P | 32.3 | Very low | 23.6 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | -126.7 | -174.1 | -53 | 27.7 | -7.8 | 0 | 0 | 0 | 110.8 | |||||
| 680 | H | 22.6 | Very low | 23.6 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | 122.4 | 111.9 | 152.6 | -69.5 | -75.8 | 0 | 0 | 0 | 117.2 | ||||
| 681 | F | 19.5 | Very low | 23.4 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | trans | 44.6 | 107.2 | 136.1 | -77.5 | -96.9 | 0 | 0 | 0 | 118.4 | ||||
| 682 | N | 24.7 | Very low | 23 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | -174.3 | 117.2 | 106.5 | -89.6 | -34.2 | 0 | 0 | 0 | 109.5 | P684 | N682-P684 VanDerWaalsContact O-CD 3.27Å; N682-P684 WeakPolarHBondContact O-CD 3.33Å | |||
| 683 | Q | 18.8 | Very low | 22.9 | Very low | 204 Ų | 204 | 136 Ų | 136 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 127.9 | 152.4 | -87.6 | 179 | -36.1 | 0 | 0 | 107.6 | ||||
| 684 | P | 23.4 | Very low | 22.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -128.2 | 126.7 | 138 | 33.4 | -21.9 | 0 | 0 | 0 | 111.2 | N682 | N682-P684 VanDerWaalsContact O-CD 3.27Å; N682-P684 WeakPolarHBondContact O-CD 3.33Å | ||
| 685 | A | 22.3 | Very low | 22.8 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 36.2 | 112.6 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | G687 | A685-G687 PolarHBondContact O-N 2.83Š| ||
| 686 | L | 22 | Very low | 22.6 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | 39.2 | 78.6 | 124.7 | -66.9 | 165.8 | 0 | 0 | 0 | 116.4 | |||||
| 687 | G | 21.5 | Very low | 22.7 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -99.4 | 103.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A685 G689 | A685-G687 PolarHBondContact O-N 2.83Å; G687-G689 PolarHBondContact O-N 3.12Å | ||
| 688 | F | 21.4 | Very low | 22.6 | Very low | 215 Ų | 215 | 138.5 Ų | 138.5 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | trans | -57.3 | 121.4 | 158.3 | -90.2 | -97.8 | 0 | 0 | 0 | 108.5 | ||||
| 689 | G | 20.4 | Very low | 22.7 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 174.6 | 79 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G687 | G687-G689 PolarHBondContact O-N 3.12Š| ||
| 690 | S | 22.4 | Very low | 22.3 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -160.4 | 87.3 | 148.7 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | Y692 | S690-Y692 PolarHBondContact O-N 2.93Š| ||
| 691 | S | 21.2 | Very low | 22.3 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -65.5 | 105 | 161.8 | 50.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 692 | Y | 21.8 | Very low | 22.4 | Very low | 211 Ų | 211 | 142.5 Ų | 142.5 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -117.7 | 92 | 159.4 | -110.6 | -93.4 | 0 | 0 | 0 | 107.8 | S690 | S690-Y692 PolarHBondContact O-N 2.93Š| ||
| 693 | A | 23.3 | Very low | 22.3 | Very low | 85 Ų | 85 | 143 Ų | 143 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 124.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | R695 | A693-R695 PolarHBondContact O-N 2.85Š|
| 694 | P | 26.2 | Very low | 22.5 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 126 | 176.1 | 23.4 | -29.5 | 0 | 0 | 0 | 108.7 | G696 | P694-G696 PolarHBondContact O-N 2.98Š|
| 695 | R | 22.1 | Very low | 22.4 | Very low | 244 Ų | 244 | 141.7 Ų | 141.7 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 124 | 172.1 | -82.5 | -176.6 | 172.2 | -174.6 | -1.9 | 108.5 | A693 D697 | A693-R695 PolarHBondContact O-N 2.85Å; R695-D697 PolarHBondContact O-N 3.22Å |
| 696 | G | 21.3 | Very low | 22.4 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 126.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P694 | P694-G696 PolarHBondContact O-N 2.98Š|
| 697 | D | 23.8 | Very low | 22.3 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -153.8 | 81.3 | 155 | -83.1 | -39 | 0 | 0 | 0 | 104.8 | R695 | R695-D697 PolarHBondContact O-N 3.22Š| ||
| 698 | F | 22.2 | Very low | 22.2 | Very low | 207 Ų | 207 | 150.8 Ų | 150.8 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | 171.5 | 77 | 155.7 | -84.7 | -58.6 | 0 | 0 | 0 | 106.4 | P700 | F698-P700 WeakPolarHBondContact O-CD 3.44Š| ||
| 699 | S | 22.9 | Very low | 22.2 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -71.9 | 122.1 | 163.7 | 42.5 | 0 | 0 | 0 | 0 | 108.5 | F701 | S699-F701 PolarHBondContact O-N 3.4Š| ||
| 700 | P | 24.7 | Very low | 22.3 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -68 | 129.2 | 163.2 | 28.1 | -28.7 | 0 | 0 | 0 | 107.3 | F698 L702 | F698-P700 WeakPolarHBondContact O-CD 3.44Å; P700-L702 PolarHBondContact O-N 2.97Å | ||
| 701 | F | 22.3 | Very low | 22.4 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -46.2 | 113.4 | 179.9 | -91.6 | -100 | 0 | 0 | 0 | 111.1 | S699 | S699-F701 PolarHBondContact O-N 3.4Š| ||
| 702 | L | 22.3 | Very low | 22.4 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -71.6 | 132.5 | 173.8 | -135.8 | 91 | 0 | 0 | 0 | 108.9 | P700 S704 | P700-L702 PolarHBondContact O-N 2.97Å; L702-S704 PolarHBondContact O-N 3.28Å | ||
| 703 | N | 22.8 | Very low | 22.3 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -46.8 | 122.8 | 170.8 | -81.8 | -37.4 | 0 | 0 | 0 | 111.5 | Q705 | N703-Q705 PolarHBondContact O-N 2.79Š| ||
| 704 | S | 22.4 | Very low | 22.5 | Very low | 104 Ų | 104 | 153.5 Ų | 153.5 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -64.4 | 102.3 | 170 | 41.9 | 0 | 0 | 0 | 0 | 109.9 | L702 L706 | L702-S704 PolarHBondContact O-N 3.28Å; S704-L706 PolarHBondContact O-N 3.39Å; S704-L706 VanDerWaalsContact O-N 3.09Å | ||
| 705 | Q | 22.3 | Very low | 22.3 | Very low | 187 Ų | 187 | 156.4 Ų | 156.4 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -65.1 | 104.3 | 159.8 | -86.4 | -170.1 | -14.5 | 0 | 0 | 108.3 | N703 D707 | N703-Q705 PolarHBondContact O-N 2.79Å; Q705-D707 PolarHBondContact O-N 3.05Å | ||
| 706 | L | 20.9 | Very low | 22.3 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 102.6 | 167.9 | -86.9 | 151.1 | 0 | 0 | 0 | 108.7 | S704 Y708 | S704-L706 PolarHBondContact O-N 3.39Å; S704-L706 VanDerWaalsContact O-N 3.09Å; L706-Y708 PolarHBondContact O-N 2.79Å | ||
| 707 | D | 21.2 | Very low | 22.5 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -57.8 | 110.2 | 169.4 | -99.7 | -31.5 | 0 | 0 | 0 | 110.7 | Q705 K709 | Q705-D707 PolarHBondContact O-N 3.05Å; D707-K709 PolarHBondContact O-N 3.25Å; D707-K709 VanDerWaalsContact O-N 3.09Å | ||
| 708 | Y | 19.4 | Very low | 22.4 | Very low | 221 Ų | 221 | 151.5 Ų | 151.5 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -69.7 | 101.6 | 168.3 | -97.7 | -94.6 | 0 | 0 | 0 | 109.6 | L706 V710 | L706-Y708 PolarHBondContact O-N 2.79Å; Y708-V710 PolarHBondContact O-N 2.7Å; Y708-V710 VanDerWaalsContact O-N 3.08Å | ||
| 709 | K | 21.1 | Very low | 22.7 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -64.5 | 106.5 | 167.2 | -90.5 | -179.2 | 175.4 | 173.9 | 0 | 110 | D707 G711 | D707-K709 PolarHBondContact O-N 3.25Å; D707-K709 VanDerWaalsContact O-N 3.09Å; K709-G711 PolarHBondContact O-N 2.77Å | ||
| 710 | V | 22.2 | Very low | 22.7 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -64.6 | 98.2 | 169.3 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | Y708 K712 | Y708-V710 PolarHBondContact O-N 2.7Å; Y708-V710 VanDerWaalsContact O-N 3.08Å; V710-K712 PolarHBondContact O-N 2.89Å | ||
| 711 | G | 24.4 | Very low | 22.9 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -72.8 | 103.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K709 | K709-G711 PolarHBondContact O-N 2.77Š| ||
| 712 | K | 21.6 | Very low | 22.9 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -75 | 122.2 | 170.6 | -77.5 | -179.3 | 175.5 | 175.6 | 0 | 110.7 | V710 | V710-K712 PolarHBondContact O-N 2.89Š| ||
| 713 | G | 19.9 | Very low | 23.1 | Very low | 63 Ų | 63 | 148.4 Ų | 148.4 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | trans | 88.1 | 119.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 714 | H | 26.3 | Very low | 23.1 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | -157.2 | 138.3 | 113.3 | -109.1 | 61.2 | 0 | 0 | 0 | 111.2 | |||||
| 715 | K | 21.6 | Very low | 23.1 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 151.5 | 178.7 | -60.7 | 169.4 | 172.8 | 177.7 | 0 | 110 | ||||
| 716 | N | 23.2 | Very low | 23.3 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | 155.2 | 141.9 | 122.1 | -80.4 | -16.4 | 0 | 0 | 0 | 112.5 | |||||
| 717 | G | 25.7 | Very low | 23.5 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | 109.5 | 74.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 718 | T | 22.2 | Very low | 23.5 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | 41 | 107.3 | 97.9 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 719 | N | 27.1 | Very low | 23.6 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | -163.8 | 136.6 | 114.4 | -103.9 | -16.1 | 0 | 0 | 0 | 113 | |||||
| 720 | H | 24.1 | Very low | 23.8 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 140.3 | 177.5 | -80.7 | -84.8 | 0 | 0 | 0 | 112.3 | ||||
| 721 | G | 27.5 | Very low | 23.8 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -148.6 | 74.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L723 | G721-L723 PolarHBondContact O-N 2.81Š| ||
| 722 | N | 22.4 | Very low | 23.7 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -67.8 | 118.4 | 170 | -88.3 | -15.9 | 0 | 0 | 0 | 109.2 | ||||
| 723 | L | 26.7 | Very low | 23.8 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -130.6 | 103.4 | 153 | -108.4 | 138.9 | 0 | 0 | 0 | 107.6 | G721 | G721-L723 PolarHBondContact O-N 2.81Š| ||
| 724 | S | 22.2 | Very low | 24.1 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -84.3 | 152.8 | 178.6 | 53 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 725 | S | 23.3 | Very low | 23.9 | Very low | 89 Ų | 89 | 142.7 Ų | 142.7 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | trans | 92.4 | 135.6 | 136.6 | 77.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 726 | H | 25.9 | Very low | 24.1 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 77.6 | 127.9 | 164 | -58.1 | -70.2 | 0 | 0 | 0 | 115.9 | ||||
| 727 | A | 26.6 | Very low | 24.3 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | cis | -150.2 | 140.8 | 22.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 728 | C | 20.7 | Very low | 24.2 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -114.2 | 123.4 | 171.1 | -165.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 729 | F | 21.6 | Very low | 24.6 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -123.1 | 120.7 | 169.7 | -97.4 | -76.1 | 0 | 0 | 0 | 109.4 | ||||
| 730 | P | 24.3 | Very low | 24.4 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | trans | -103.4 | 155.9 | -178.2 | 36.1 | -29.5 | 0 | 0 | 0 | 114 | ||||
| 731 | F | 21.8 | Very low | 24.5 | Very low | 179 Ų | 179 | 142 Ų | 142 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 56.5 | 124.7 | 145.3 | -87.3 | -94.2 | 0 | 0 | 0 | 121.6 | H733 | F731-H733 AromaticContact CD1-CD2 3.96Å; F731-H733 AromaticContact CE1-CD2 3.83Å | ||
| 732 | R | 22.7 | Very low | 24.6 | Very low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -144.8 | 96.1 | 149.5 | -128.6 | 178.1 | -176.4 | 179.7 | 3.5 | 111.6 | ||||
| 733 | H | 24.8 | Very low | 24.6 | Very low | 165 Ų | 165 | 141 Ų | 141 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 134.9 | 161.7 | -98.1 | -72.2 | 0 | 0 | 0 | 109.6 | F731 | F731-H733 AromaticContact CD1-CD2 3.96Å; F731-H733 AromaticContact CE1-CD2 3.83Å | ||
| 734 | K | 25.5 | Very low | 24.5 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -132.6 | 102.1 | 160.4 | -84.1 | -172 | 175.7 | -179.6 | 0 | 108.7 | ||||
| 735 | G | 22.1 | Very low | 24.7 | Very low | 80 Ų | 80 | 145.4 Ų | 145.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -81.2 | 138.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 736 | R | 25.8 | Very low | 24.8 | Very low | 248 Ų | 248 | 149 Ų | 149 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | -136 | 143.1 | 167.3 | -148.6 | 175.1 | -177.3 | 173.1 | -0.4 | 109.1 | ||||
| 737 | T | 26.5 | Very low | 24.8 | Very low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | -82.8 | 156.1 | -153.7 | 43.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 738 | S | 23.6 | Very low | 24.8 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 140.9 | 168 | 40.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 739 | H | 30.8 | Very low | 25.1 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -119.1 | 143 | 163.2 | -89.1 | -71.9 | 0 | 0 | 0 | 109.4 | ||||
| 740 | G | 24.4 | Very low | 25.2 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -83.2 | 171.6 | -162 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 741 | S | 24.7 | Very low | 25.2 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -54.8 | 165.3 | 162.5 | -23.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 742 | P | 29.6 | Very low | 25.4 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | -158.3 | 171 | 55.1 | 45.4 | -23.8 | 0 | 0 | 0 | 119.4 | |||||
| 743 | S | 23.5 | Very low | 25.5 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | trans | 85 | 127.2 | 134 | 98.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 744 | I | 23.9 | Very low | 25.7 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 82.3 | 110 | 138.3 | -59.2 | 157 | 0 | 0 | 0 | 118.2 | ||||
| 745 | Y | 26.8 | Very low | 25.7 | Very low | 228 Ų | 228 | 132.4 Ų | 132.4 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | -159 | 119.3 | 111.7 | -113.4 | -83.7 | 0 | 0 | 0 | 110.2 | |||||
| 746 | N | 24.9 | Very low | 26 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -83.3 | 141 | 173.2 | -92.8 | -22.8 | 0 | 0 | 0 | 109.9 | ||||
| 747 | G | 26.1 | Very low | 25.9 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -152.2 | 86 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 748 | S | 26.8 | Very low | 26 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | -96.8 | 124.9 | 173.9 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 749 | L | 26.2 | Very low | 26.1 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -126.1 | 110.6 | 164.7 | -116.3 | 99.1 | 0 | 0 | 0 | 108.3 | ||||
| 750 | C | 23.8 | Very low | 25.7 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -108.9 | 119.8 | 172.4 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 751 | V | 25.5 | Very low | 25.9 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -160.8 | 136 | 159 | -172.8 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 752 | G | 26.5 | Very low | 25.9 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | 179.5 | 135.5 | 1.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 753 | T | 24.8 | Very low | 25.7 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -91 | 119.8 | -177 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 754 | D | 28.6 | Very low | 26 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -95.5 | 110.1 | 168 | -90.6 | -32.7 | 0 | 0 | 0 | 110.6 | ||||
| 755 | T | 24.6 | Very low | 26 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | trans | -91.3 | 125.2 | 164.5 | 34 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 756 | M | 29.6 | Very low | 25.9 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 93% | 0.931 | 80% | 0.804 | S | S | * | * | trans | -140.1 | 125.4 | 157.1 | -82.3 | -61.3 | 170 | 0 | 0 | 111.8 | ||||
| 757 | L | 23.3 | Very low | 25.7 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | -73.4 | 150.5 | 171.9 | -92.1 | 74.7 | 0 | 0 | 0 | 111.8 | ||||
| 758 | G | 28.7 | Very low | 25.6 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -176 | 91.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 759 | S | 24.9 | Very low | 25.4 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | 75.1 | 98.1 | 97.3 | 68.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 760 | S | 22.2 | Very low | 25.4 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | 26.7 | 128.1 | 135.2 | 59.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 761 | T | 28.6 | Very low | 25.3 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | 179 | 133.5 | 116.6 | 33.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 762 | S | 26.2 | Very low | 25.1 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 50.7 | 100 | 145.7 | 61.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 763 | S | 24 | Very low | 25.1 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 34.9 | 161.1 | 107.8 | 75.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 764 | P | 30.2 | Very low | 25.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | -127.4 | 157.2 | -96.4 | 32.5 | -12.3 | 0 | 0 | 0 | 114 | |||||
| 765 | S | 23.8 | Very low | 25 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -174.4 | 154 | 149.9 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 766 | L | 24.3 | Very low | 25.2 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | 85.1 | 87.9 | 166.9 | -71.6 | 138.7 | 0 | 0 | 0 | 117.4 | A768 | L766-A768 PolarHBondContact O-N 3.18Š| ||
| 767 | Y | 21 | Very low | 25.1 | Very low | 229 Ų | 229 | 133.4 Ų | 133.4 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -52.4 | 113.7 | 152.4 | -86 | -101 | 0 | 0 | 0 | 110.6 | ||||
| 768 | A | 24.9 | Very low | 25.3 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -118.9 | 108.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | L766 H770 | L766-A768 PolarHBondContact O-N 3.18Å; A768-H770 PolarHBondContact O-N 3.26Å | ||
| 769 | V | 22.8 | Very low | 25.3 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -68.3 | 100.6 | 178.9 | 176.5 | 0 | 0 | 0 | 0 | 107.7 | C771 | V769-C771 PolarHBondContact O-N 3.33Š| ||
| 770 | H | 24.8 | Very low | 25.6 | Very low | 186 Ų | 186 | 134 Ų | 134 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -82 | 102 | 174 | -131.1 | 13.4 | 0 | 0 | 0 | 108.1 | A768 G772 | A768-H770 PolarHBondContact O-N 3.26Å; H770-G772 VanDerWaalsContact C-N 3.3Å; H770-G772 PolarHBondContact O-N 3.28Å | ||
| 771 | C | 23.2 | Very low | 26.1 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 88.7 | 166.7 | -69.1 | 0 | 0 | 0 | 0 | 108.6 | V769 | V769-C771 PolarHBondContact O-N 3.33Š| ||
| 772 | G | 21 | Very low | 26.2 | Very low | 63 Ų | 63 | 131.8 Ų | 131.8 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -157.9 | 76.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | H770 | H770-G772 VanDerWaalsContact C-N 3.3Å; H770-G772 PolarHBondContact O-N 3.28Å | ||
| 773 | T | 24.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -123 | 98.6 | 168.1 | 49.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 774 | Q | 24.8 | Very low | 26.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | 64.5 | 105.1 | 103.9 | -94.4 | 177.8 | -14.3 | 0 | 0 | 111.5 | D776 | Q774-D776 PolarHBondContact O-N 3.13Å; Q774-D776 VanDerWaalsContact O-N 3.07Å | |||
| 775 | T | 27.9 | Very low | 26.9 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -49.4 | 105.3 | 162 | 46.5 | 0 | 0 | 0 | 0 | 109 | E777 | T775-E777 PolarHBondContact O-N 3.28Š| ||
| 776 | D | 27.8 | Very low | 27.2 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 107.6 | 166.7 | -79.7 | -35.9 | 0 | 0 | 0 | 107.7 | Q774 A778 | Q774-D776 PolarHBondContact O-N 3.13Å; Q774-D776 VanDerWaalsContact O-N 3.07Å; D776-A778 PolarHBondContact O-N 2.79Å | ||
| 777 | E | 27.5 | Very low | 27.4 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -54.6 | 110.2 | 166.1 | -73.4 | -178.4 | 152.8 | 0 | 0 | 107.7 | T775 S779 | T775-E777 PolarHBondContact O-N 3.28Å; E777-S779 PolarHBondContact O-N 3.36Å | ||
| 778 | A | 28.9 | Very low | 27.7 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -56.9 | 109.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | D776 L780 | D776-A778 PolarHBondContact O-N 2.79Å; A778-L780 PolarHBondContact O-N 3.38Å | ||
| 779 | S | 27.9 | Very low | 27.9 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -56.5 | 105.6 | 177.7 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | E777 C781 | E777-S779 PolarHBondContact O-N 3.36Å; S779-C781 PolarHBondContact O-N 3.28Å | ||
| 780 | L | 30.4 | Very low | 28.2 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -55.3 | 127.9 | 171.7 | -83.3 | 142.5 | 0 | 0 | 0 | 109.4 | A778 P782 | A778-L780 PolarHBondContact O-N 3.38Å; L780-P782 WeakPolarHBondContact O-CD 3.34Å | ||
| 781 | C | 34.1 | Very low | 28.2 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 50% | 0.5 | 79% | 0.786 | S | S | . | * | trans | -58.4 | 123.9 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | S779 R783 C784 | S779-C781 PolarHBondContact O-N 3.28Å; C781-R783 PolarHBondContact O-N 2.86Å; C781-C784 PolarHBondContact O-N 3.37Å | ||
| 782 | P | 31.1 | Very low | 28.2 | Very low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -4.5 | -174.7 | 21.9 | -30.3 | 0 | 0 | 0 | 114.5 | L780 | L780-P782 WeakPolarHBondContact O-CD 3.34Š|
| 783 | R | 30.8 | Very low | 28.4 | Very low | 229 Ų | 229 | 147.3 Ų | 147.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -22.9 | 170.4 | -97.1 | -176.5 | 172.3 | -177.7 | -2.7 | 113.8 | C781 | C781-R783 PolarHBondContact O-N 2.86Š|
| 784 | C | 30.7 | Very low | 28.3 | Very low | 105 Ų | 105 | 151 Ų | 151 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -8.7 | -173.1 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | C781 | C781-C784 PolarHBondContact O-N 3.37Š|
| 785 | A | 32.4 | Very low | 28.2 | Very low | 92 Ų | 92 | 152.7 Ų | 152.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 6.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 786 | R | 30.3 | Very low | 28 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -110.6 | 108.7 | -179.3 | -84.2 | -174 | 176.9 | 164.8 | -0.2 | 112.8 | ||||
| 787 | E | 28.5 | Very low | 27.9 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | 69.8 | 114 | 140.5 | -65.2 | 173.5 | 166.2 | 0 | 0 | 118.8 | ||||
| 788 | Y | 27.7 | Very low | 27.8 | Very low | 215 Ų | 215 | 146.6 Ų | 146.6 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | -171.6 | 117.5 | 106.1 | -95.9 | -76.2 | 0 | 0 | 0 | 109.8 | L790 | Y788-L790 PolarHBondContact O-N 3.48Š| |||
| 789 | P | 29.4 | Very low | 27.7 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -84.9 | 96.6 | 175.4 | 30.9 | -27.8 | 0 | 0 | 0 | 110.2 | Y791 | P789-Y791 PolarHBondContact O-N 3.31Š| ||
| 790 | L | 28.5 | Very low | 27.5 | Very low | 154 Ų | 154 | 151 Ų | 151 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -78.3 | 113.4 | 167.9 | -89.1 | 158.4 | 0 | 0 | 0 | 109.4 | Y788 I792 | Y788-L790 PolarHBondContact O-N 3.48Å; L790-I792 PolarHBondContact O-N 2.92Å | ||
| 791 | Y | 23.7 | Very low | 27.3 | Very low | 232 Ų | 232 | 147.8 Ų | 147.8 | 91% | 0.91 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 96.5 | 173.5 | -126.2 | -100.5 | 0 | 0 | 0 | 109.2 | P789 | P789-Y791 PolarHBondContact O-N 3.31Š| ||
| 792 | I | 25 | Very low | 27.1 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -89.4 | 110.3 | 172.5 | -62.7 | 174.5 | 0 | 0 | 0 | 108.1 | L790 K794 | L790-I792 PolarHBondContact O-N 2.92Å; I792-K794 PolarHBondContact O-N 3.21Å | ||
| 793 | S | 23.6 | Very low | 26.9 | Very low | 90 Ų | 90 | 146.6 Ų | 146.6 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -61.3 | 112.2 | 174.3 | 160.9 | 0 | 0 | 0 | 0 | 110.6 | R795 | S793-R795 PolarHBondContact O-N 3.44Š| ||
| 794 | K | 22.6 | Very low | 26.9 | Very low | 207 Ų | 207 | 141.7 Ų | 141.7 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | trans | -76 | 96.9 | 169.8 | -72.4 | -179.1 | 175.6 | -178.6 | 0 | 110.8 | I792 | I792-K794 PolarHBondContact O-N 3.21Š| ||
| 795 | R | 23.1 | Very low | 26.9 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | trans | -157.4 | 137.7 | 158.6 | -71.9 | -173.4 | -178.7 | 139.3 | -2.1 | 104.4 | S793 | S793-R795 PolarHBondContact O-N 3.44Š| ||
| 796 | D | 24 | Very low | 26.9 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -170.2 | 142.7 | -4.4 | -109.1 | -39.8 | 0 | 0 | 0 | 103.4 | ||||
| 797 | V | 25.3 | Very low | 27.2 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | 66 | 120.1 | 150.4 | -170.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 798 | G | 25.4 | Very low | 27.7 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 118.4 | -37.2 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 799 | V | 27.1 | Very low | 28.6 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 75% | 0.745 | 70% | 0.704 | S | S | * | * | trans | -118.2 | 108.3 | -172.4 | -172.1 | 0 | 0 | 0 | 0 | 109 | A801 | V799-A801 VanDerWaalsContact C-N 3.25Å; V799-A801 PolarHBondContact O-N 3.02Å | ||
| 800 | Q | 23.8 | Very low | 29.7 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | trans | -59.2 | 101.1 | 158.8 | -87.6 | -180 | -20.2 | 0 | 0 | 106 | T802 | Q800-T802 PolarHBondContact O-N 3.44Š| ||
| 801 | A | 26.3 | Very low | 30.7 | Very low | 92 Ų | 92 | 115.5 Ų | 115.5 | 76% | 0.76 | 63% | 0.633 | S | S | * | * | trans | -59.1 | 88.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | V799 G803 | V799-A801 VanDerWaalsContact C-N 3.25Å; V799-A801 PolarHBondContact O-N 3.02Å; A801-G803 VanDerWaalsContact C-N 3.34Å; A801-G803 PolarHBondContact O-N 3.44Å | ||
| 802 | T | 31 | Very low | 31.9 | Very low | 106 Ų | 106 | 106.9 Ų | 106.9 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | trans | -52.3 | 107.5 | 164.1 | 44.6 | 0 | 0 | 0 | 0 | 104.7 | Q800 S804 | Q800-T802 PolarHBondContact O-N 3.44Å; T802-S804 PolarHBondContact O-N 3.3Å | ||
| 803 | G | 26.6 | Very low | 33.3 | Very low | 60 Ų | 60 | 104.5 Ų | 104.5 | 62% | 0.619 | 59% | 0.589 | S | S | * | * | trans | -54.2 | 112 | -166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A801 E805 | A801-G803 VanDerWaalsContact C-N 3.34Å; A801-G803 PolarHBondContact O-N 3.44Å; G803-E805 PolarHBondContact O-N 3.3Å | ||
| 804 | S | 30.2 | Very low | 34.9 | Very low | 125 Ų | 125 | 100.3 Ų | 100.3 | 87% | 0.874 | 56% | 0.56 | S | S | * | * | trans | 10.8 | 45.6 | 174.6 | 71.5 | 0 | 0 | 0 | 0 | 118.1 | T802 E806 | T802-S804 PolarHBondContact O-N 3.3Å; S804-E806 PolarHBondContact O-N 2.9Å | ||
| 805 | E | 30.3 | Very low | 36.4 | Very low | 165 Ų | 165 | 92.1 Ų | 92.1 | 77% | 0.771 | 52% | 0.523 | S | S | * | . | trans | -71 | 110 | 160.8 | -79.1 | -173.5 | 160.7 | 0 | 0 | 102.8 | G803 C807 | G803-E805 PolarHBondContact O-N 3.3Å; E805-C807 PolarHBondContact O-N 3.21Å | ||
| 806 | E | 33.3 | Very low | 38.1 | Very low | 142 Ų | 142 | 87.4 Ų | 87.4 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | trans | -39.2 | 117 | 172.4 | -76.5 | 174.8 | 155.7 | 0 | 0 | 107.6 | Y236 S804 K808 | Y236-E806 PolarHBondContact OH-OE2 3.14Å; S804-E806 PolarHBondContact O-N 2.9Å; E806-K808 HydrophobicContact CB-CG 4.38Å; E806-K808 PolarHBondContact O-N 3.17Å | ||
| 807 | C | 36.5 | Very low | 39.7 | Very low | 63 Ų | 63 | 84.8 Ų | 84.8 | 43% | 0.426 | 50% | 0.496 | S | S | . | . | trans | -63.4 | 89.6 | 171.1 | -72.6 | 0 | 0 | 0 | 0 | 106.1 | T57 E805 D809 | T57-C807 HydrophobicContact CG2-CB 3.81Å; E805-C807 PolarHBondContact O-N 3.21Å; C807-D809 PolarHBondContact O-N 2.91Å | ||
| 808 | K | 39 | Very low | 41.2 | Very low | 99 Ų | 99 | 78.1 Ų | 78.1 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | trans | -76 | 110 | 175.9 | -65.5 | -170.7 | -141.2 | -175 | 0 | 107 | Y236 E806 N810 | Y236-K808 HydrophobicContact CE2-CD 4.42Å; Y236-K808 VanDerWaalsContact OH-CD 3.23Å; Y236-K808 WeakPolarHBondContact OH-CD 3.38Å; Y236-K808 WeakPolarHBondContact OH-CE 3.36Å; Y236-K808 PolarHBondContact OH-NZ 2.6Å; E806-K808 HydrophobicContact CB-CG 4.38Å; E806-K808 PolarHBondContact O-N 3.17Å; K808-N810 PolarHBondContact O-N 3.28Å; K808-N810 PolarHBondContact O-OD1 3.22Å | ||
| 809 | D | 47 | Very low | 42.8 | Very low | 16 Ų | 16 | 78.2 Ų | 78.2 | 9% | 0.086 | 44% | 0.438 | C | S | . | . | trans | -66.9 | 114.5 | 159.4 | -171.6 | 9 | 0 | 0 | 0 | 107.9 | H37 L48 I64 C807 S811 | H37-D809 IonicContact CE1-OD2 2.62Å; H37-D809 PolarHBondContact CE1-OD2 2.86Å; H37-D809 IonicContact NE2-OD2 2.69Å; L48-D809 HydrophobicContact CD1-CB 3.77Å; I64-D809 WeakPolarHBondContact CD1-OD2 3.5Å; I64-D809 HydrophobicContact CG1-CB 4.35Å; C807-D809 PolarHBondContact O-N 2.91Å; D809-S811 VanDerWaalsContact OD1-CB 3.26Å; D809-S811 WeakPolarHBondContact OD1-CB 2.91Å; D809-S811 PolarHBondContact OD1-N 3.03Å; D809-S811 PolarHBondContact OD1-OG 3.18Å; D809-S811 WeakPolarHBondContact OD2-CB 3.31Å; D809-S811 PolarHBondContact OD2-OG 2.85Å | ||
| 810 | N | 50.7 | Low | 44.4 | Very low | 15 Ų | 15 | 78.4 Ų | 78.4 | 8% | 0.08 | 43% | 0.429 | C | S | . | . | trans | -90.6 | 11.4 | 175.5 | -68 | 21 | 0 | 0 | 0 | 111.1 | R158 K808 D812 E813 I814 | R158-N810 PolarHBondContact NH2-ND2 3.47Å; R158-N810 VanDerWaalsContact NH2-ND2 3.19Å; K808-N810 PolarHBondContact O-N 3.28Å; K808-N810 PolarHBondContact O-OD1 3.22Å; N810-D812 PolarHBondContact O-N 2.81Å; N810-E813 HydrophobicContact CB-CB 4.17Å; N810-E813 HydrophobicContact CB-CG 4.26Å; N810-E813 PolarHBondContact ND2-OE2 3.03Å; N810-E813 PolarHBondContact O-N 3.01Å; N810-E813 VanDerWaalsContact O-N 3.09Å; N810-I814 WeakPolarHBondContact O-CG1 3.27Å; N810-I814 PolarHBondContact O-N 3.48Å | ||
| 811 | S | 49.8 | Very low | 46.1 | Very low | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.014 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -52.5 | -40.4 | 169.8 | 68.9 | 0 | 0 | 0 | 0 | 110.1 | D809 I814 W815 | D809-S811 VanDerWaalsContact OD1-CB 3.26Å; D809-S811 WeakPolarHBondContact OD1-CB 2.91Å; D809-S811 PolarHBondContact OD1-N 3.03Å; D809-S811 PolarHBondContact OD1-OG 3.18Å; D809-S811 WeakPolarHBondContact OD2-CB 3.31Å; D809-S811 PolarHBondContact OD2-OG 2.85Å; S811-I814 PolarHBondContact O-N 2.99Å; S811-W815 WeakPolarHBondContact O-CB 3.48Å; S811-W815 PolarHBondContact O-N 3.23Å |
| 812 | D | 48.5 | Very low | 47.5 | Very low | 52 Ų | 52 | 69.5 Ų | 69.5 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 173.4 | -67.6 | -24.1 | 0 | 0 | 0 | 113 | N810 I814 W815 E816 | N810-D812 PolarHBondContact O-N 2.81Å; D812-I814 PolarHBondContact O-N 3Å; D812-W815 CarbonylContact O-C 3.52Å; D812-W815 PolarHBondContact O-N 3.27Å; D812-E816 PolarHBondContact O-N 3.29Å |
| 813 | E | 55.1 | Low | 48.7 | Very low | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177 | -65.8 | -178.9 | 174.7 | 0 | 0 | 111.5 | N810 W815 E816 D817 | N810-E813 HydrophobicContact CB-CB 4.17Å; N810-E813 HydrophobicContact CB-CG 4.26Å; N810-E813 PolarHBondContact ND2-OE2 3.03Å; N810-E813 PolarHBondContact O-N 3.01Å; N810-E813 VanDerWaalsContact O-N 3.09Å; E813-W815 VanDerWaalsContact C-N 3.28Å; E813-W815 PolarHBondContact O-N 2.66Å; E813-E816 PolarHBondContact O-N 3.23Å; E813-D817 PolarHBondContact O-N 3.17Å |
| 814 | I | 56.4 | Low | 50.1 | Low | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.8 | -67.2 | 166 | 0 | 0 | 0 | 109.7 | L102 I154 N810 S811 D812 I818 | L102-I814 HydrophobicContact CD2-CG2 4.36Å; I154-I814 HydrophobicContact CD1-CB 4.4Å; I154-I814 HydrophobicContact CD1-CG1 3.95Å; I154-I814 HydrophobicContact CD1-CG2 4.3Å; I154-I814 HydrophobicContact CG2-CD1 4.24Å; I154-I814 HydrophobicContact CG2-CG1 3.94Å; N810-I814 WeakPolarHBondContact O-CG1 3.27Å; N810-I814 PolarHBondContact O-N 3.48Å; S811-I814 PolarHBondContact O-N 2.99Å; D812-I814 PolarHBondContact O-N 3Å; I814-I818 HydrophobicContact CG2-CD1 3.67Å; I814-I818 HydrophobicContact CG2-CG1 4.48Å; I814-I818 WeakPolarHBondContact O-CB 3.47Å; I814-I818 WeakPolarHBondContact O-CD1 3.47Å; I814-I818 WeakPolarHBondContact O-CG1 3.42Å; I814-I818 PolarHBondContact O-N 3.3Å |
| 815 | W | 55.7 | Low | 51 | Low | 35 Ų | 35 | 64.1 Ų | 64.1 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.3 | -32.1 | 178.4 | -80.7 | 113.6 | 0 | 0 | 0 | 113.5 | L15 V35 L102 S811 D812 E813 I818 N819 | L15-W815 HydrophobicContact CD1-CD2 4.43Å; L15-W815 HydrophobicContact CD1-CG 3.97Å; V35-W815 HydrophobicContact CG1-CD2 4.37Å; V35-W815 HydrophobicContact CG1-CE3 4.36Å; V35-W815 HydrophobicContact CG1-CH2 3.5Å; V35-W815 HydrophobicContact CG1-CZ2 3.47Å; V35-W815 VanDerWaalsContact CG1-CZ2 3.47Å; V35-W815 HydrophobicContact CG1-CZ3 3.97Å; L102-W815 HydrophobicContact CD1-CZ2 3.72Å; L102-W815 HydrophobicContact CD2-CH2 3.97Å; L102-W815 HydrophobicContact CD2-CZ2 3.97Å; L102-W815 HydrophobicContact CD2-CZ3 4.29Å; L102-W815 HydrophobicContact CG-CH2 4.34Å; L102-W815 HydrophobicContact CG-CZ2 4Å; S811-W815 WeakPolarHBondContact O-CB 3.48Å; S811-W815 PolarHBondContact O-N 3.23Å; D812-W815 CarbonylContact O-C 3.52Å; D812-W815 PolarHBondContact O-N 3.27Å; E813-W815 VanDerWaalsContact C-N 3.28Å; E813-W815 PolarHBondContact O-N 2.66Å; W815-I818 HydrophobicContact CE3-CB 4.3Å; W815-I818 HydrophobicContact CE3-CD1 4.48Å; W815-I818 HydrophobicContact CE3-CG2 3.99Å; W815-I818 HydrophobicContact CZ3-CG2 4.01Å; W815-N819 WeakPolarHBondContact O-CB 3.46Å; W815-N819 PolarHBondContact O-N 3.31Å; W815-N819 PolarHBondContact O-ND2 3.27Å |
| 816 | E | 58.2 | Low | 52 | Low | 110 Ų | 110 | 58 Ų | 58 | 51% | 0.514 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 171.7 | -77 | -157.1 | 158.2 | 0 | 0 | 111.6 | D812 E813 I818 N819 K820 | D812-E816 PolarHBondContact O-N 3.29Å; E813-E816 PolarHBondContact O-N 3.23Å; E816-I818 VanDerWaalsContact C-N 3.3Å; E816-I818 PolarHBondContact O-N 2.81Å; E816-N819 PolarHBondContact O-N 3.45Å; E816-K820 VanDerWaalsContact O-CB 3.3Å; E816-K820 WeakPolarHBondContact O-CB 3.37Å; E816-K820 PolarHBondContact O-N 2.75Å |
| 817 | D | 58 | Low | 52.7 | Low | 81 Ų | 81 | 52.9 Ų | 52.9 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 176.5 | -84.1 | -18.7 | 0 | 0 | 0 | 111.3 | E813 K820 E821 | E813-D817 PolarHBondContact O-N 3.17Å; D817-K820 PolarHBondContact O-N 3.42Å; D817-E821 PolarHBondContact O-N 3.39Å |
| 818 | I | 56.8 | Low | 53 | Low | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 174.7 | -72.4 | 170.3 | 0 | 0 | 0 | 110.8 | L102 I147 I150 I814 W815 E816 K820 E821 L822 | L102-I818 HydrophobicContact CD2-CD1 3.06Å; I147-I818 HydrophobicContact CG2-CD1 4.19Å; I150-I818 HydrophobicContact CG2-CG1 4.37Å; I814-I818 HydrophobicContact CG2-CD1 3.67Å; I814-I818 HydrophobicContact CG2-CG1 4.48Å; I814-I818 WeakPolarHBondContact O-CB 3.47Å; I814-I818 WeakPolarHBondContact O-CD1 3.47Å; I814-I818 WeakPolarHBondContact O-CG1 3.42Å; I814-I818 PolarHBondContact O-N 3.3Å; W815-I818 HydrophobicContact CE3-CB 4.3Å; W815-I818 HydrophobicContact CE3-CD1 4.48Å; W815-I818 HydrophobicContact CE3-CG2 3.99Å; W815-I818 HydrophobicContact CZ3-CG2 4.01Å; E816-I818 VanDerWaalsContact C-N 3.3Å; E816-I818 PolarHBondContact O-N 2.81Å; I818-K820 PolarHBondContact O-N 2.94Å; I818-E821 PolarHBondContact O-N 3.35Å; I818-L822 HydrophobicContact CG2-CD1 3.43Å; I818-L822 VanDerWaalsContact CG2-CD1 3.43Å; I818-L822 HydrophobicContact CG2-CG 3.8Å; I818-L822 WeakPolarHBondContact O-CB 3.29Å; I818-L822 WeakPolarHBondContact O-CG 3.45Å; I818-L822 PolarHBondContact O-N 3.22Å |
| 819 | N | 57.8 | Low | 53.7 | Low | 78 Ų | 78 | 54 Ų | 54 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | 177.7 | -83.1 | -21.9 | 0 | 0 | 0 | 111.1 | W815 E816 S823 | W815-N819 WeakPolarHBondContact O-CB 3.46Å; W815-N819 PolarHBondContact O-N 3.31Å; W815-N819 PolarHBondContact O-ND2 3.27Å; E816-N819 PolarHBondContact O-N 3.45Å; N819-S823 WeakPolarHBondContact O-CB 3.46Å; N819-S823 PolarHBondContact O-N 3.02Å; N819-S823 PolarHBondContact O-OG 3.03Å |
| 820 | K | 60.6 | Low | 54.1 | Low | 127 Ų | 127 | 55.9 Ų | 55.9 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 176.4 | -174.3 | -179.8 | -176.8 | 178.4 | 0 | 112.1 | E816 D817 I818 K824 | E816-K820 VanDerWaalsContact O-CB 3.3Å; E816-K820 WeakPolarHBondContact O-CB 3.37Å; E816-K820 PolarHBondContact O-N 2.75Å; D817-K820 PolarHBondContact O-N 3.42Å; I818-K820 PolarHBondContact O-N 2.94Å; K820-K824 WeakPolarHBondContact O-CG 3.36Å; K820-K824 PolarHBondContact O-N 3.36Å |
| 821 | E | 59.8 | Low | 54.2 | Low | 55 Ų | 55 | 58.2 Ų | 58.2 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73 | -39.2 | 178.3 | -69.7 | -56 | 128.3 | 0 | 0 | 112.4 | I150 D817 I818 K824 V825 | I150-E821 HydrophobicContact CD1-CB 3.71Å; I150-E821 HydrophobicContact CD1-CG 3.82Å; D817-E821 PolarHBondContact O-N 3.39Å; I818-E821 PolarHBondContact O-N 3.35Å; E821-K824 WeakPolarHBondContact O-CB 3.31Å; E821-K824 PolarHBondContact O-N 3.41Å; E821-K824 IonicContact OE1-NZ 3.46Å; E821-K824 PolarHBondContact OE1-NZ 3.28Å; E821-K824 IonicContact OE2-NZ 3.43Å; E821-V825 WeakPolarHBondContact O-CG2 3.38Å; E821-V825 PolarHBondContact O-N 3.2Å |
| 822 | L | 56.3 | Low | 54.5 | Low | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 174.8 | -72.1 | -176.1 | 0 | 0 | 0 | 111.4 | L143 I147 I818 K824 V825 V826 | L143-L822 HydrophobicContact CB-CD2 4.31Å; L143-L822 HydrophobicContact CD1-CD2 3.83Å; L143-L822 HydrophobicContact CD2-CD2 3.55Å; L143-L822 HydrophobicContact CG-CD2 4.09Å; I147-L822 HydrophobicContact CD1-CD1 4.43Å; I147-L822 HydrophobicContact CD1-CD2 4.34Å; I147-L822 HydrophobicContact CG1-CD2 4.3Å; I818-L822 HydrophobicContact CG2-CD1 3.43Å; I818-L822 VanDerWaalsContact CG2-CD1 3.43Å; I818-L822 HydrophobicContact CG2-CG 3.8Å; I818-L822 WeakPolarHBondContact O-CB 3.29Å; I818-L822 WeakPolarHBondContact O-CG 3.45Å; I818-L822 PolarHBondContact O-N 3.22Å; L822-K824 PolarHBondContact O-N 2.88Å; L822-V825 PolarHBondContact O-N 3.01Å; L822-V826 VanDerWaalsContact O-CB 3.24Å; L822-V826 WeakPolarHBondContact O-CB 3.16Å; L822-V826 VanDerWaalsContact O-CG2 3.31Å; L822-V826 WeakPolarHBondContact O-CG2 3.46Å; L822-V826 PolarHBondContact O-N 2.92Å |
| 823 | S | 55.7 | Low | 54.9 | Low | 19 Ų | 19 | 62.1 Ų | 62.1 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 177.8 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | N819 V825 F827 | N819-S823 WeakPolarHBondContact O-CB 3.46Å; N819-S823 PolarHBondContact O-N 3.02Å; N819-S823 PolarHBondContact O-OG 3.03Å; S823-V825 VanDerWaalsContact C-N 3.28Å; S823-V825 PolarHBondContact O-N 3Å; S823-F827 WeakPolarHBondContact O-CB 3.48Å; S823-F827 WeakPolarHBondContact O-CD2 3.33Å; S823-F827 PolarHBondContact O-N 3.46Å |
| 824 | K | 55.5 | Low | 54.9 | Low | 99 Ų | 99 | 59.7 Ų | 59.7 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68 | -23.5 | 175.6 | -65.2 | 170.5 | -173.8 | 170.7 | 0 | 114.3 | K820 E821 L822 S828 | K820-K824 WeakPolarHBondContact O-CG 3.36Å; K820-K824 PolarHBondContact O-N 3.36Å; E821-K824 WeakPolarHBondContact O-CB 3.31Å; E821-K824 PolarHBondContact O-N 3.41Å; E821-K824 IonicContact OE1-NZ 3.46Å; E821-K824 PolarHBondContact OE1-NZ 3.28Å; E821-K824 IonicContact OE2-NZ 3.43Å; L822-K824 PolarHBondContact O-N 2.88Å; K824-S828 WeakPolarHBondContact O-CB 3.19Å; K824-S828 PolarHBondContact O-OG 3.08Å |
| 825 | V | 51 | Low | 54.8 | Low | 60 Ų | 60 | 63.7 Ų | 63.7 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -96.7 | -34.8 | -178.5 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | L143 L146 E821 L822 S823 S828 | L143-V825 HydrophobicContact CD2-CB 4.23Å; L143-V825 HydrophobicContact CD2-CG1 3.66Å; L146-V825 HydrophobicContact CD2-CG2 4Å; E821-V825 WeakPolarHBondContact O-CG2 3.38Å; E821-V825 PolarHBondContact O-N 3.2Å; L822-V825 PolarHBondContact O-N 3.01Å; S823-V825 VanDerWaalsContact C-N 3.28Å; S823-V825 PolarHBondContact O-N 3Å; V825-S828 PolarHBondContact O-OG 3.42Å; V825-S828 VanDerWaalsContact O-OG 3.12Å |
| 826 | V | 50.1 | Low | 54.7 | Low | 35 Ų | 35 | 65.9 Ų | 65.9 | 21% | 0.212 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -88.5 | -34.7 | -173.3 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | L27 L143 L822 | L27-V826 HydrophobicContact CB-CG1 3.54Å; L27-V826 HydrophobicContact CD1-CG1 3.73Å; L27-V826 HydrophobicContact CD2-CG1 3.68Å; L27-V826 HydrophobicContact CG-CG1 3.81Å; L143-V826 HydrophobicContact CD1-CG2 4.25Å; L822-V826 VanDerWaalsContact O-CB 3.24Å; L822-V826 WeakPolarHBondContact O-CB 3.16Å; L822-V826 VanDerWaalsContact O-CG2 3.31Å; L822-V826 WeakPolarHBondContact O-CG2 3.46Å; L822-V826 PolarHBondContact O-N 2.92Å |
| 827 | F | 48.8 | Very low | 54.4 | Low | 35 Ų | 35 | 62.3 Ų | 62.3 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | trans | -100.4 | -3.9 | 178.5 | -59.2 | -72.9 | 0 | 0 | 0 | 114 | L23 L27 A315 V337 N339 S823 | L23-F827 HydrophobicContact CD1-CZ 4.41Å; L27-F827 HydrophobicContact CD1-CE1 3.77Å; L27-F827 HydrophobicContact CD1-CE2 4.47Å; L27-F827 HydrophobicContact CD1-CZ 3.58Å; L27-F827 HydrophobicContact CD2-CD1 4.13Å; L27-F827 HydrophobicContact CD2-CE1 3.7Å; L27-F827 HydrophobicContact CD2-CZ 4.37Å; L27-F827 HydrophobicContact CG-CE1 4.39Å; A315-F827 HydrophobicContact CB-CD1 3.94Å; A315-F827 HydrophobicContact CB-CD2 3.88Å; A315-F827 HydrophobicContact CB-CE1 3.96Å; A315-F827 HydrophobicContact CB-CE2 3.94Å; A315-F827 HydrophobicContact CB-CG 3.91Å; A315-F827 HydrophobicContact CB-CZ 3.96Å; V337-F827 HydrophobicContact CG1-CD1 4.38Å; V337-F827 HydrophobicContact CG1-CE1 3.84Å; N339-F827 HydrophobicContact CB-CB 4.29Å; N339-F827 PolarHBondContact ND2-O 3.14Å; S823-F827 WeakPolarHBondContact O-CB 3.48Å; S823-F827 WeakPolarHBondContact O-CD2 3.33Å; S823-F827 PolarHBondContact O-N 3.46Å | ||
| 828 | S | 42.4 | Very low | 54.1 | Low | 131 Ų | 131 | 60.5 Ų | 60.5 | 92% | 0.916 | 33% | 0.325 | S | S | * | . | trans | -76.9 | 0 | 162.1 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | K824 V825 | K824-S828 WeakPolarHBondContact O-CB 3.19Å; K824-S828 PolarHBondContact O-OG 3.08Å; V825-S828 PolarHBondContact O-OG 3.42Å; V825-S828 VanDerWaalsContact O-OG 3.12Å |
Retrieved 828 of 828 residues in 550.7 ms
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