A0A096MPW4_PAPAN Loading...

Arylsulfatase family member H

AlphaFold DB , UniProt , Accession A0A096MPW4, Species PAPAN (Papio anubis, Olive baboon), Gene ARSH, Length 562 aa.

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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
1M54.6Low81.6Confident82 Ų8253.2 Ų53.240%0.40426%0.26SS..  0156.20-97.7-15615800112.2A5 W365 V368 E412M1-A5 HydrophobicContact CE-CB 3.73Å; M1-A5 HydrophobicContact SD-CB 3.19Å; M1-A5 WeakPolarHBondContact SD-CB 3.19Å; M1-W365 HydrophobicContact CE-CH2 4.02Å; M1-W365 HydrophobicContact CE-CZ2 3.54Å; M1-W365 HydrophobicContact SD-CH2 3.25Å; M1-W365 WeakPolarHBondContact SD-CH2 3.33Å; M1-W365 HydrophobicContact SD-CZ2 3.44Å; M1-W365 WeakPolarHBondContact SD-CZ2 3.25Å; M1-W365 HydrophobicContact SD-CZ3 4.11Å; M1-V368 HydrophobicContact CB-CG1 4.44Å; M1-V368 HydrophobicContact CE-CG2 3.6Å; M1-V368 HydrophobicContact CG-CB 4.49Å; M1-V368 HydrophobicContact CG-CG1 3.94Å; M1-V368 HydrophobicContact CG-CG2 3.66Å; M1-V368 HydrophobicContact SD-CG2 3.69Å; M1-E412 WeakPolarHBondContact CB-OE1 3.32Å; M1-E412 VanDerWaalsContact N-CD 3.32Å; M1-E412 PolarHBondContact N-OE1 3.38Å; M1-E412 PolarHBondContact N-OE2 3.19Å
2T55.5Low83Confident116 Ų11648.8 Ų48.871%0.71224%0.239SC*.  trans-76.5148.8167.850.40000110.1
3R62.3Low84.2Confident164 Ų16445.1 Ų45.162%0.61922%0.221SC*.THydrogen-bonded Turntrans-51.2140.2171.1-175.3-179.3-178.6-176.61.1109.3Y390R3-Y390 HydrophobicContact CB-CE2 4.23Å; R3-Y390 HydrophobicContact CG-CD2 4.43Å; R3-Y390 HydrophobicContact CG-CE2 4.35Å
4N67.8Low85.3Confident83 Ų8341.9 Ų41.944%0.44421%0.205SC..THydrogen-bonded Turntrans71.837.9176.8-161.135.3000115.9R6 Y390 I391 G393N4-R6 PolarHBondContact O-N 3.49Å; N4-R6 WeakPolarHBondContact OD1-CG 3.43Å; N4-Y390 PolarHBondContact N-O 2.74Å; N4-I391 CarbonylContact C-O 3.47Å; N4-G393 WeakPolarHBondContact OD1-CA 3.15Å
5A74.8Confident86.1Confident33 Ų3339.1 Ų39.127%0.27319%0.191SC..  trans-64.6-19.2174.100000114.1M1 W365 I391M1-A5 HydrophobicContact CE-CB 3.73Å; M1-A5 HydrophobicContact SD-CB 3.19Å; M1-A5 WeakPolarHBondContact SD-CB 3.19Å; A5-W365 HydrophobicContact CB-CH2 4.49Å; A5-I391 PolarHBondContact N-O 3.27Å
6R90.8Very high86.8Confident101 Ų10136.9 Ų36.938%0.38118%0.181SC..  trans49.550.4-179.6-59.9-175.374-157.11.1114.5N4 R106 Y108 I391N4-R6 PolarHBondContact O-N 3.49Å; N4-R6 WeakPolarHBondContact OD1-CG 3.43Å; R6-R106 PolarHBondContact NH2-O 2.89Å; R6-Y108 VanDerWaalsContact C-OH 3.23Å; R6-Y108 WeakPolarHBondContact CA-OH 3.48Å; R6-I391 PolarHBondContact N-O 3.35Å; R6-I391 VanDerWaalsContact N-O 3.11Å
7P96.5Very high87.4Confident0 Ų034.7 Ų34.70%017%0.17CC..  trans-69.6167.6175.736.3-40.8000111.2I9 Y108 N315 W365 I391P7-I9 HydrophobicContact CG-CG1 4.48Å; P7-Y108 WeakPolarHBondContact O-CE1 3.41Å; P7-Y108 PolarHBondContact O-OH 3Å; P7-N315 WeakPolarHBondContact CB-O 3.28Å; P7-W365 HydrophobicContact CB-CH2 3.64Å; P7-W365 HydrophobicContact CB-CZ2 3.39Å; P7-W365 HydrophobicContact CG-CH2 3.4Å; P7-W365 HydrophobicContact CG-CZ2 3.75Å; P7-W365 HydrophobicContact CG-CZ3 4.09Å; P7-I391 HydrophobicContact CG-CB 4.35Å; P7-I391 HydrophobicContact CG-CD1 4.04Å; P7-I391 HydrophobicContact CG-CG1 4.24Å
8N98.5Very high88Confident6 Ų632.8 Ų32.83%0.03216%0.161CC..EExtended strand (participates in β ladder)trans-68.1149.3159.3-60.8-38.4000109.7F261 N315 T316 L317N8-F261 CarbonylContact C-O 3.42Å; N8-F261 WeakPolarHBondContact CA-O 3.47Å; N8-F261 HydrophobicContact CB-CD1 4.08Å; N8-F261 HydrophobicContact CB-CD2 4.44Å; N8-F261 HydrophobicContact CB-CE1 3.7Å; N8-F261 HydrophobicContact CB-CE2 4.08Å; N8-F261 HydrophobicContact CB-CG 4.44Å; N8-F261 HydrophobicContact CB-CZ 3.7Å; N8-F261 WeakPolarHBondContact ND2-CE1 3.48Å; N8-F261 WeakPolarHBondContact OD1-CD1 3.44Å; N8-F261 WeakPolarHBondContact OD1-CE1 3.25Å; N8-F261 PolarHBondContact OD1-N 3.14Å; N8-N315 PolarHBondContact N-O 3.34Å; N8-T316 HydrophobicContact CB-CG2 3.87Å; N8-T316 WeakPolarHBondContact CB-OG1 3.36Å; N8-T316 CarbonylContact O-C 3.31Å; N8-T316 WeakPolarHBondContact O-CA 3.17Å; N8-L317 PolarHBondContact O-N 2.7Å
9I98.8Very high88.4Confident0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-128.8123.3-177.9-60.3160.1000108P7 L11 L103 Y108 F261 L262 L263 L388 I391P7-I9 HydrophobicContact CG-CG1 4.48Å; I9-L11 HydrophobicContact CG2-CD2 3.63Å; I9-L11 HydrophobicContact CG2-CG 3.95Å; I9-L103 HydrophobicContact CD1-CD1 3.68Å; I9-L103 HydrophobicContact CD1-CD2 3.97Å; I9-Y108 HydrophobicContact CD1-CD1 4.46Å; I9-Y108 HydrophobicContact CD1-CE1 3.72Å; I9-Y108 HydrophobicContact CG1-CE1 4.29Å; I9-F261 PolarHBondContact N-O 2.85Å; I9-L262 HydrophobicContact CB-CD1 4.01Å; I9-L262 HydrophobicContact CG2-CD1 3.6Å; I9-L262 CarbonylContact O-C 3.44Å; I9-L262 WeakPolarHBondContact O-CA 3.47Å; I9-L263 PolarHBondContact O-N 3.04Å; I9-L388 HydrophobicContact CD1-CD2 4.01Å; I9-L388 HydrophobicContact CG1-CD2 4.28Å; I9-L388 HydrophobicContact CG2-CD1 4.21Å; I9-L388 HydrophobicContact CG2-CD2 3.72Å; I9-I391 HydrophobicContact CD1-CD1 4.24Å; I9-I391 HydrophobicContact CD1-CG1 4.45Å; I9-I391 HydrophobicContact CG1-CD1 4.2Å
10V98.9Very high88.9Confident0 Ų029.7 Ų29.70%015%0.146CC..EExtended strand (participates in β ladder)trans-121112.8173.5178.50000108.4L12 F261 L263 I303 L307 T316 L317 V318 Y319V10-L12 HydrophobicContact CG1-CD2 4.01Å; V10-L12 HydrophobicContact CG1-CG 4.1Å; V10-F261 HydrophobicContact CG2-CE2 3.91Å; V10-L263 CarbonylContact C-O 3.47Å; V10-L263 WeakPolarHBondContact CA-O 3.23Å; V10-L263 HydrophobicContact CG1-CD2 4.32Å; V10-L263 HydrophobicContact CG2-CB 4.33Å; V10-I303 HydrophobicContact CG1-CG2 4.12Å; V10-L307 HydrophobicContact CG2-CD1 4.15Å; V10-L307 HydrophobicContact CG2-CD2 4.28Å; V10-T316 HydrophobicContact CB-CG2 4.35Å; V10-T316 HydrophobicContact CG2-CG2 3.73Å; V10-L317 PolarHBondContact N-O 3.32Å; V10-V318 HydrophobicContact CB-CG1 4.49Å; V10-V318 HydrophobicContact CB-CG2 4.29Å; V10-V318 HydrophobicContact CG1-CG1 4.44Å; V10-V318 CarbonylContact O-C 3.59Å; V10-V318 WeakPolarHBondContact O-CA 3.4Å; V10-Y319 PolarHBondContact O-N 3.11Å
11L98.9Very high89.2Confident0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-103.9125.4176.1-49178.9000108.4I9 F62 F99 L262 L263 F264 F265 Y319 I384 L388I9-L11 HydrophobicContact CG2-CD2 3.63Å; I9-L11 HydrophobicContact CG2-CG 3.95Å; L11-F62 HydrophobicContact CD1-CE1 4.17Å; L11-F62 HydrophobicContact CD1-CZ 3.98Å; L11-F99 HydrophobicContact CD1-CD2 4.38Å; L11-F99 HydrophobicContact CD1-CE1 4.27Å; L11-F99 HydrophobicContact CD1-CE2 3.54Å; L11-F99 HydrophobicContact CD1-CZ 3.48Å; L11-F99 VanDerWaalsContact CD1-CZ 3.48Å; L11-L262 HydrophobicContact CD1-CD1 3.78Å; L11-L262 HydrophobicContact CG-CD1 3.93Å; L11-L263 PolarHBondContact N-O 3.04Å; L11-F264 HydrophobicContact CB-CD2 3.79Å; L11-F264 HydrophobicContact CB-CE2 4.47Å; L11-F264 HydrophobicContact CB-CG 4.44Å; L11-F265 PolarHBondContact O-N 3.44Å; L11-Y319 HydrophobicContact CD2-CD1 4.05Å; L11-I384 HydrophobicContact CD2-CD1 4.13Å; L11-I384 HydrophobicContact CD2-CG1 4.2Å; L11-L388 HydrophobicContact CD1-CD1 3.85Å; L11-L388 HydrophobicContact CD2-CD1 4.19Å
12L98.9Very high91.3Very high1 Ų124.4 Ų24.41%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-117.1112.1-179.7-61.1172.3000107.4V10 L38 F265 F267 V300 I303 V318 Y319 F320 T321V10-L12 HydrophobicContact CG1-CD2 4.01Å; V10-L12 HydrophobicContact CG1-CG 4.1Å; L12-L38 HydrophobicContact CD1-CD1 4.31Å; L12-F265 WeakPolarHBondContact CA-O 3.39Å; L12-F265 HydrophobicContact CD2-CB 3.76Å; L12-F265 HydrophobicContact CD2-CG 4.41Å; L12-F267 HydrophobicContact CB-CE2 4.1Å; L12-F267 HydrophobicContact CD2-CE2 4.08Å; L12-F267 HydrophobicContact CD2-CZ 4.32Å; L12-V300 HydrophobicContact CD1-CG1 4.03Å; L12-V300 HydrophobicContact CD1-CG2 4.26Å; L12-I303 HydrophobicContact CD2-CD1 3.89Å; L12-V318 HydrophobicContact CD1-CG1 3.8Å; L12-V318 HydrophobicContact CG-CG1 4.49Å; L12-Y319 WeakPolarHBondContact CB-O 3.44Å; L12-Y319 PolarHBondContact N-O 3.38Å; L12-F320 HydrophobicContact CB-CB 4.32Å; L12-F320 HydrophobicContact CB-CD2 3.78Å; L12-F320 HydrophobicContact CB-CG 4.48Å; L12-F320 HydrophobicContact CD1-CD2 4.36Å; L12-F320 CarbonylContact O-C 3.45Å; L12-F320 WeakPolarHBondContact O-CA 3.41Å; L12-T321 PolarHBondContact O-N 3.25Å
13M98.9Very high93.3Very high0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans-122.7113.9-179.4178.7175-81.400110.5R59 F62 F264 F265 F267 T321 D323M13-R59 HydrophobicContact SD-CG 4.14Å; M13-F62 HydrophobicContact CE-CB 4.09Å; M13-F62 HydrophobicContact CE-CD1 3.48Å; M13-F62 VanDerWaalsContact CE-CD1 3.48Å; M13-F62 HydrophobicContact CE-CD2 3.58Å; M13-F62 HydrophobicContact CE-CE1 3.67Å; M13-F62 HydrophobicContact CE-CE2 3.77Å; M13-F62 HydrophobicContact CE-CG 3.44Å; M13-F62 VanDerWaalsContact CE-CG 3.44Å; M13-F62 HydrophobicContact CE-CZ 3.81Å; M13-F62 HydrophobicContact SD-CD1 4.45Å; M13-F264 HydrophobicContact CB-CE2 3.66Å; M13-F264 HydrophobicContact CB-CZ 4.22Å; M13-F264 HydrophobicContact SD-CE2 4.31Å; M13-F264 HydrophobicContact SD-CZ 3.94Å; M13-F265 PolarHBondContact N-O 3.33Å; M13-F267 WeakPolarHBondContact O-CD2 3.08Å; M13-F267 PolarHBondContact O-N 2.85Å; M13-T321 WeakPolarHBondContact CA-O 3.41Å; M13-T321 HydrophobicContact CB-CG2 4.39Å; M13-T321 HydrophobicContact CE-CG2 3.88Å; M13-T321 HydrophobicContact CG-CG2 4.33Å; M13-D323 HydrophobicContact CG-CB 4.27Å; M13-D323 HydrophobicContact SD-CB 3.86Å
14A98.7Very high94.9Very high0 Ų013.6 Ų13.60%07%0.074CC..EExtended strand (participates in β ladder)trans-71.4162.116800000111.5L17 M296 F320 T321 D323A14-L17 HydrophobicContact CB-CB 3.56Å; A14-L17 HydrophobicContact CB-CD2 3.88Å; A14-L17 HydrophobicContact CB-CG 4.36Å; A14-M296 HydrophobicContact CB-CE 4.46Å; A14-M296 HydrophobicContact CB-SD 3.61Å; A14-F320 HydrophobicContact CB-CZ 4.34Å; A14-T321 PolarHBondContact N-O 2.92Å; A14-D323 PolarHBondContact O-N 3.31Å; A14-D323 VanDerWaalsContact O-N 3.14Å
15D97.6Very high96.3Very high0 Ų011.8 Ų11.80%06%0.061CC..SBendtrans-116.1112.1-179.7-162.112.6000108.7L17 C55 R59 K115 H269 V270 H271 D323D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.95Å; D15-C55 PolarHBondContact OD1-SG 3.32Å; D15-R59 IonicContact OD1-NH2 3.44Å; D15-K115 IonicContact OD1-NZ 3.06Å; D15-K115 PolarHBondContact OD1-NZ 2.97Å; D15-K115 WeakPolarHBondContact OD2-CD 3.37Å; D15-K115 WeakPolarHBondContact OD2-CE 3.45Å; D15-K115 IonicContact OD2-NZ 3.32Å; D15-K115 PolarHBondContact OD2-NZ 2.87Å; D15-H269 WeakPolarHBondContact CB-O 3.03Å; D15-H269 PolarHBondContact N-O 3.02Å; D15-V270 CarbonylContact O-C 3.57Å; D15-V270 PolarHBondContact O-N 2.89Å; D15-H271 HydrophobicContact CB-CB 4.08Å; D15-H271 PolarHBondContact O-N 3.15Å; D15-H271 IonicContact OD1-CD2 2.98Å; D15-H271 WeakPolarHBondContact OD2-CB 3.44Å; D15-H271 IonicContact OD2-CD2 3.57Å; D15-H271 IonicContact OD2-CG 3.78Å; D15-D323 VanDerWaalsContact OD1-OD2 3.13Å
16D96.8Very high97.2Very high4 Ų412.9 Ų12.92%0.0218%0.076CC..SBendtrans5928.7-175.3-54.6-35.3000116.4G18 H271 Y289 D323 N324 G326 K348D16-G18 PolarHBondContact O-N 2.86Å; D16-H271 IonicContact OD2-CD2 3.82Å; D16-H271 PolarHBondContact OD2-CD2 3Å; D16-H271 IonicContact OD2-CG 3.82Å; D16-H271 IonicContact OD2-NE2 3.89Å; D16-Y289 PolarHBondContact O-OH 3.13Å; D16-D323 PolarHBondContact N-OD1 3.32Å; D16-D323 VanDerWaalsContact N-OD1 3.14Å; D16-N324 PolarHBondContact OD1-ND2 2.68Å; D16-G326 WeakPolarHBondContact O-CA 3.06Å; D16-K348 WeakPolarHBondContact OD1-CD 3.47Å; D16-K348 WeakPolarHBondContact OD1-CE 3.43Å; D16-K348 IonicContact OD1-NZ 2.54Å; D16-K348 PolarHBondContact OD1-NZ 3.15Å; D16-K348 IonicContact OD2-NZ 3.71Å; D16-K348 PolarHBondContact OD2-NZ 3.25Å
17L98.1Very high97.4Very high0 Ų08.6 Ų8.60%06%0.06CC..  trans-76.8119.6170.3-176.676.3000109.8A14 D15 D21 L22 V270 V293 M296 F320 S322 P360A14-L17 HydrophobicContact CB-CB 3.56Å; A14-L17 HydrophobicContact CB-CD2 3.88Å; A14-L17 HydrophobicContact CB-CG 4.36Å; D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.95Å; L17-D21 HydrophobicContact CD1-CB 3.61Å; L17-D21 HydrophobicContact CG-CB 4.31Å; L17-L22 HydrophobicContact CD2-CD1 4.35Å; L17-L22 HydrophobicContact CD2-CD2 3.99Å; L17-L22 HydrophobicContact CD2-CG 4.2Å; L17-V270 HydrophobicContact CB-CG2 3.99Å; L17-V270 HydrophobicContact CD1-CG2 3.93Å; L17-V293 HydrophobicContact CD1-CG1 4.21Å; L17-V293 HydrophobicContact CD1-CG2 4.02Å; L17-M296 HydrophobicContact CD1-CE 4.05Å; L17-M296 HydrophobicContact CD2-CE 3.88Å; L17-F320 HydrophobicContact CD2-CE1 3.82Å; L17-F320 HydrophobicContact CD2-CZ 3.7Å; L17-S322 PolarHBondContact N-OG 3.37Å; L17-S322 VanDerWaalsContact O-CB 3.23Å; L17-S322 WeakPolarHBondContact O-CB 3.5Å; L17-S322 PolarHBondContact O-OG 2.04Å; L17-P360 HydrophobicContact CD2-CG 4.2Å
18G97.4Very high97Very high0 Ų014.9 Ų14.90%09%0.094CC..  trans-71.6148.9174.100000111.7D16 G20 D21 W340 N341D16-G18 PolarHBondContact O-N 2.86Å; G18-G20 PolarHBondContact O-N 3.26Å; G18-D21 WeakPolarHBondContact CA-OD2 3.35Å; G18-D21 PolarHBondContact N-OD2 3.27Å; G18-D21 WeakPolarHBondContact O-CB 3.38Å; G18-D21 PolarHBondContact O-N 3.48Å; G18-W340 CarbonylContact C-O 3.49Å; G18-N341 WeakPolarHBondContact CA-OD1 3.08Å
19V96.9Very high96.5Very high2 Ų216.5 Ų16.51%0.01211%0.106CC..THydrogen-bonded Turntrans-63.3-25.3178.764.50000112.7D21 Y25 Y344 R358 P360V19-D21 VanDerWaalsContact C-N 3.33Å; V19-Y25 HydrophobicContact CG2-CD1 3.62Å; V19-Y25 HydrophobicContact CG2-CE1 3.89Å; V19-Y25 HydrophobicContact CG2-CG 4.23Å; V19-Y25 WeakPolarHBondContact O-CB 3.25Å; V19-Y344 HydrophobicContact CG1-CD2 3.29Å; V19-Y344 HydrophobicContact CG1-CE2 3.51Å; V19-Y344 HydrophobicContact CG1-CG 4.44Å; V19-Y344 HydrophobicContact CG2-CE2 4.41Å; V19-R358 HydrophobicContact CG1-CG 4.41Å; V19-R358 HydrophobicContact CG2-CG 4.46Å; V19-P360 HydrophobicContact CB-CG 4.5Å
20G96.6Very high96.2Very high2 Ų216.8 Ų16.82%0.02111%0.107CC..THydrogen-bonded Turntrans-80.7-8.3176.300000113.9G18 L22 N27 W340G18-G20 PolarHBondContact O-N 3.26Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 2.67Å; G20-N27 VanDerWaalsContact O-CB 3.25Å; G20-N27 WeakPolarHBondContact O-CB 3.32Å; G20-N27 PolarHBondContact O-ND2 3.25Å; G20-W340 CarbonylContact C-O 3.53Å; G20-W340 WeakPolarHBondContact CA-O 3.34Å; G20-W340 PolarHBondContact N-O 2.81Å; G20-W340 WeakPolarHBondContact O-CZ3 3.45Å
21D97Very high96.1Very high0 Ų019.6 Ų19.60%013%0.127CC..SBendtrans-75.6-21.1-172.3-69.8-51.7000114L17 G18 V19 N27 Y289 G339 W340L17-D21 HydrophobicContact CD1-CB 3.61Å; L17-D21 HydrophobicContact CG-CB 4.31Å; G18-D21 WeakPolarHBondContact CA-OD2 3.35Å; G18-D21 PolarHBondContact N-OD2 3.27Å; G18-D21 WeakPolarHBondContact O-CB 3.38Å; G18-D21 PolarHBondContact O-N 3.48Å; V19-D21 VanDerWaalsContact C-N 3.33Å; D21-N27 WeakPolarHBondContact CA-ND2 3.48Å; D21-N27 WeakPolarHBondContact O-CB 3.42Å; D21-N27 PolarHBondContact O-ND2 2.91Å; D21-Y289 HydrophobicContact CB-CE1 4.37Å; D21-Y289 WeakPolarHBondContact OD1-CE1 3.29Å; D21-Y289 PolarHBondContact OD2-OH 3.4Å; D21-G339 WeakPolarHBondContact OD2-CA 3.32Å; D21-W340 VanDerWaalsContact CG-N 3.31Å; D21-W340 PolarHBondContact N-O 2.87Å; D21-W340 WeakPolarHBondContact OD1-CB 3.13Å; D21-W340 PolarHBondContact OD1-N 3.27Å; D21-W340 PolarHBondContact OD2-N 2.71Å
22L97.5Very high96Very high0 Ų019.6 Ų19.60%013%0.127CC..SBendtrans-91.3143.5-175.5-60.4177.7000112.6L17 G20 C24 Y25 G26 N27 T32 I35 F320 P360 I362L17-L22 HydrophobicContact CD2-CD1 4.35Å; L17-L22 HydrophobicContact CD2-CD2 3.99Å; L17-L22 HydrophobicContact CD2-CG 4.2Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-L22 PolarHBondContact O-N 2.67Å; L22-C24 PolarHBondContact O-N 2.97Å; L22-Y25 HydrophobicContact CB-CD2 3.97Å; L22-Y25 HydrophobicContact CD1-CD2 3.85Å; L22-Y25 HydrophobicContact CD1-CE2 4.09Å; L22-Y25 CarbonylContact O-C 3.36Å; L22-Y25 WeakPolarHBondContact O-CA 3.35Å; L22-Y25 PolarHBondContact O-N 2.69Å; L22-G26 PolarHBondContact O-N 2.83Å; L22-N27 WeakPolarHBondContact O-CB 3.29Å; L22-N27 PolarHBondContact O-N 3.39Å; L22-N27 VanDerWaalsContact O-N 3.08Å; L22-T32 HydrophobicContact CD2-CG2 3.83Å; L22-I35 HydrophobicContact CD1-CG2 3.83Å; L22-I35 HydrophobicContact CD2-CD1 3.88Å; L22-I35 HydrophobicContact CD2-CG2 4.06Å; L22-F320 HydrophobicContact CD1-CE1 3.91Å; L22-P360 HydrophobicContact CD1-CB 3.67Å; L22-P360 HydrophobicContact CD1-CG 3.67Å; L22-P360 HydrophobicContact CG-CG 4.4Å; L22-I362 HydrophobicContact CD1-CD1 4.42Å
23C97.1Very high96Very high39 Ų3923 Ų2326%0.26415%0.149SC..G310 helixtrans-60.3-45175.3-80.80000112.5Y25 G26 N27 V30 T32 D36C23-Y25 PolarHBondContact O-N 3.02Å; C23-G26 PolarHBondContact O-N 2.68Å; C23-N27 WeakPolarHBondContact CA-O 3.48Å; C23-N27 PolarHBondContact SG-O 3.22Å; C23-N27 VanDerWaalsContact SG-O 3.33Å; C23-V30 PolarHBondContact SG-O 3.09Å; C23-T32 WeakPolarHBondContact CB-OG1 3.35Å; C23-T32 PolarHBondContact N-OG1 3.36Å; C23-D36 WeakPolarHBondContact CB-OD1 3.47Å; C23-D36 WeakPolarHBondContact CB-OD2 3.5Å
24C97.2Very high96Very high14 Ų1424.7 Ų24.710%0.09516%0.159CC..G310 helixtrans-64.3-0.8172.560.40000114.5L22 D36 A39 R44L22-C24 PolarHBondContact O-N 2.97Å; C24-D36 HydrophobicContact CB-CB 4.36Å; C24-D36 VanDerWaalsContact CB-OD1 3.24Å; C24-D36 WeakPolarHBondContact CB-OD1 3.13Å; C24-D36 PolarHBondContact N-OD1 2.81Å; C24-D36 PolarHBondContact SG-OD1 2.86Å; C24-A39 HydrophobicContact CB-CB 3.88Å; C24-R44 WeakPolarHBondContact O-CD 3.34Å; C24-R44 PolarHBondContact O-NH1 3.21Å
25Y97.3Very high96Very high45 Ų4524.7 Ų24.718%0.17616%0.159CC..G310 helixtrans-116.78.9169.1-76.6-95.1000113.3V19 L22 C23 R44 L45 P360 G361 I362V19-Y25 HydrophobicContact CG2-CD1 3.62Å; V19-Y25 HydrophobicContact CG2-CE1 3.89Å; V19-Y25 HydrophobicContact CG2-CG 4.23Å; V19-Y25 WeakPolarHBondContact O-CB 3.25Å; L22-Y25 HydrophobicContact CB-CD2 3.97Å; L22-Y25 HydrophobicContact CD1-CD2 3.85Å; L22-Y25 HydrophobicContact CD1-CE2 4.09Å; L22-Y25 CarbonylContact O-C 3.36Å; L22-Y25 WeakPolarHBondContact O-CA 3.35Å; L22-Y25 PolarHBondContact O-N 2.69Å; C23-Y25 PolarHBondContact O-N 3.02Å; Y25-R44 HydrophobicContact CE1-CG 4.26Å; Y25-R44 HydrophobicContact CE2-CG 4.03Å; Y25-R44 WeakPolarHBondContact OH-CG 3.45Å; Y25-L45 WeakPolarHBondContact CE1-O 3.42Å; Y25-L45 PolarHBondContact OH-O 3.06Å; Y25-P360 HydrophobicContact CE2-CB 3.93Å; Y25-G361 PolarHBondContact OH-N 3.37Å; Y25-G361 PolarHBondContact OH-O 3.36Å; Y25-I362 HydrophobicContact CE2-CD1 4.12Å; Y25-I362 HydrophobicContact CE2-CG1 4.16Å
26G93.7Very high96Very high57 Ų5726.2 Ų26.259%0.58817%0.166SC*.THydrogen-bonded Turntrans111.91172.200000115.4L22 C23L22-G26 PolarHBondContact O-N 2.83Å; C23-G26 PolarHBondContact O-N 2.68Å
27N93.1Very high96.1Very high10 Ų1029.3 Ų29.35%0.05318%0.178CC..  trans-70.4146.2175-151.7-57.7000112.1G20 D21 L22 C23 S29 V30 W340G20-N27 VanDerWaalsContact O-CB 3.25Å; G20-N27 WeakPolarHBondContact O-CB 3.32Å; G20-N27 PolarHBondContact O-ND2 3.25Å; D21-N27 WeakPolarHBondContact CA-ND2 3.48Å; D21-N27 WeakPolarHBondContact O-CB 3.42Å; D21-N27 PolarHBondContact O-ND2 2.91Å; L22-N27 WeakPolarHBondContact O-CB 3.29Å; L22-N27 PolarHBondContact O-N 3.39Å; L22-N27 VanDerWaalsContact O-N 3.08Å; C23-N27 WeakPolarHBondContact CA-O 3.48Å; C23-N27 PolarHBondContact SG-O 3.22Å; C23-N27 VanDerWaalsContact SG-O 3.33Å; N27-S29 WeakPolarHBondContact OD1-CA 3.35Å; N27-S29 WeakPolarHBondContact OD1-CB 3.49Å; N27-S29 PolarHBondContact OD1-N 3.13Å; N27-V30 PolarHBondContact OD1-N 3.32Å; N27-W340 HydrophobicContact CB-CZ3 4.41Å
28N90.1Very high96.1Very high132 Ų13229.4 Ų29.471%0.70618%0.179SC*.SBendtrans-131.74.6175.464.74000113.7
29S87.6Confident96.1Very high40 Ų4029.7 Ų29.728%0.2818%0.181SC..SBendtrans-105.6-17.1-175.7-640000113.3N27 S284 K285N27-S29 WeakPolarHBondContact OD1-CA 3.35Å; N27-S29 WeakPolarHBondContact OD1-CB 3.49Å; N27-S29 PolarHBondContact OD1-N 3.13Å; S29-S284 PolarHBondContact O-OG 3.23Å; S29-K285 WeakPolarHBondContact O-CB 3.49Å; S29-K285 PolarHBondContact O-N 2.58Å
30V92.6Very high96.2Very high6 Ų634.9 Ų34.94%0.03621%0.208CC..SBendtrans-119.7147.8176-175.90000108.6C23 N27 T32 Y286 V293 E294C23-V30 PolarHBondContact SG-O 3.09Å; N27-V30 PolarHBondContact OD1-N 3.32Å; V30-T32 HydrophobicContact CG1-CG2 4.09Å; V30-Y286 HydrophobicContact CG2-CG 4.26Å; V30-V293 HydrophobicContact CG1-CB 3.68Å; V30-V293 HydrophobicContact CG1-CG1 3.56Å; V30-V293 HydrophobicContact CG1-CG2 4.48Å; V30-E294 HydrophobicContact CG1-CG 3.86Å
31S95.4Very high96.3Very high60 Ų6037.6 Ų37.642%0.4222%0.22SC..  trans-101.5111.5177.4-172.10000112P33 E294S31-P33 WeakPolarHBondContact O-CD 3.18Å; S31-P33 WeakPolarHBondContact OG-CD 3.38Å; S31-E294 PolarHBondContact N-OE1 3.36Å; S31-E294 WeakPolarHBondContact O-CG 3.48Å
32T98Very high96.3Very high0 Ų037.6 Ų37.60%022%0.22CC..  trans-122.852.7-179.861.10000114.4L22 C23 V30 N34 I35 D36 V293 D297L22-T32 HydrophobicContact CD2-CG2 3.83Å; C23-T32 WeakPolarHBondContact CB-OG1 3.35Å; C23-T32 PolarHBondContact N-OG1 3.36Å; V30-T32 HydrophobicContact CG1-CG2 4.09Å; T32-N34 VanDerWaalsContact C-N 3.3Å; T32-N34 PolarHBondContact O-N 3.03Å; T32-I35 PolarHBondContact O-N 3.24Å; T32-D36 WeakPolarHBondContact O-CB 3.28Å; T32-D36 PolarHBondContact O-N 3.42Å; T32-D36 PolarHBondContact OG1-OD1 3.05Å; T32-D36 VanDerWaalsContact OG1-OD1 3.14Å; T32-V293 HydrophobicContact CG2-CG1 3.72Å; T32-D297 VanDerWaalsContact C-CG 3.47Å; T32-D297 VanDerWaalsContact CA-CG 3.45Å; T32-D297 VanDerWaalsContact CA-OD1 3.28Å; T32-D297 WeakPolarHBondContact CA-OD1 3.47Å; T32-D297 HydrophobicContact CG2-CB 4.36Å
33P98.3Very high96.4Very high71 Ų7137.6 Ų37.646%0.46122%0.22SC..Hα-helixtrans-63.2-30.3-170.926.5-36.7000114.2S31 R37 D297S31-P33 WeakPolarHBondContact O-CD 3.18Å; S31-P33 WeakPolarHBondContact OG-CD 3.38Å; P33-R37 WeakPolarHBondContact O-CB 3.36Å; P33-R37 PolarHBondContact O-N 3.38Å; P33-D297 WeakPolarHBondContact CD-OD2 3.47Å
34N98.8Very high96.4Very high37 Ų3739.3 Ų39.320%0.19822%0.221CC..Hα-helixtrans-79-36.3-178.1-62.6-76.2000111.9T32 R37 L38 D297 V300 G301T32-N34 VanDerWaalsContact C-N 3.3Å; T32-N34 PolarHBondContact O-N 3.03Å; N34-R37 WeakPolarHBondContact O-CB 3.45Å; N34-R37 PolarHBondContact O-N 3.45Å; N34-L38 PolarHBondContact O-N 3.37Å; N34-L38 VanDerWaalsContact O-N 3.14Å; N34-D297 WeakPolarHBondContact CB-O 3.47Å; N34-D297 WeakPolarHBondContact CB-OD2 3.47Å; N34-D297 PolarHBondContact N-OD1 3.36Å; N34-D297 PolarHBondContact N-OD2 3.42Å; N34-D297 VanDerWaalsContact N-OD2 3.11Å; N34-D297 PolarHBondContact ND2-O 2.91Å; N34-D297 PolarHBondContact ND2-OD2 2.88Å; N34-V300 HydrophobicContact CB-CG1 4.49Å; N34-G301 VanDerWaalsContact CG-CA 3.41Å; N34-G301 VanDerWaalsContact OD1-CA 3.3Å; N34-G301 WeakPolarHBondContact OD1-CA 3.28Å
35I98.8Very high96.5Very high0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-71.7-37172.8-64.5163.9000110L22 T32 R37 L38 A39 M296 D297 V300 F320 I362L22-I35 HydrophobicContact CD1-CG2 3.83Å; L22-I35 HydrophobicContact CD2-CD1 3.88Å; L22-I35 HydrophobicContact CD2-CG2 4.06Å; T32-I35 PolarHBondContact O-N 3.24Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 2.96Å; I35-L38 VanDerWaalsContact O-CB 3.3Å; I35-L38 WeakPolarHBondContact O-CB 3.27Å; I35-L38 PolarHBondContact O-N 2.9Å; I35-L38 VanDerWaalsContact O-N 3.09Å; I35-A39 PolarHBondContact O-N 2.93Å; I35-M296 HydrophobicContact CD1-CE 3.95Å; I35-D297 WeakPolarHBondContact CB-OD1 3.35Å; I35-D297 HydrophobicContact CD1-CB 4.1Å; I35-D297 VanDerWaalsContact CG1-OD1 3.3Å; I35-D297 WeakPolarHBondContact CG1-OD1 3.13Å; I35-D297 PolarHBondContact N-OD1 3.01Å; I35-V300 HydrophobicContact CD1-CG2 4.4Å; I35-V300 HydrophobicContact CG1-CB 4.27Å; I35-V300 HydrophobicContact CG1-CG1 4.12Å; I35-V300 HydrophobicContact CG1-CG2 4.15Å; I35-F320 HydrophobicContact CD1-CD2 4.49Å; I35-F320 HydrophobicContact CD1-CE1 4.31Å; I35-F320 HydrophobicContact CD1-CE2 3.73Å; I35-F320 HydrophobicContact CD1-CZ 3.63Å; I35-F320 HydrophobicContact CG1-CD2 4.36Å; I35-F320 HydrophobicContact CG1-CE2 4.08Å; I35-F320 HydrophobicContact CG1-CZ 4.27Å; I35-F320 HydrophobicContact CG2-CD1 4.15Å; I35-F320 HydrophobicContact CG2-CE1 4.17Å; I35-I362 HydrophobicContact CG2-CD1 3.58Å
36D98.5Very high96.5Very high31 Ų3138 Ų3817%0.16622%0.217CC..Hα-helixtrans-63.5-38.7173.1-65.8-7.2000111.4C23 C24 T32 L38 A39 N40C23-D36 WeakPolarHBondContact CB-OD1 3.47Å; C23-D36 WeakPolarHBondContact CB-OD2 3.5Å; C24-D36 HydrophobicContact CB-CB 4.36Å; C24-D36 VanDerWaalsContact CB-OD1 3.24Å; C24-D36 WeakPolarHBondContact CB-OD1 3.13Å; C24-D36 PolarHBondContact N-OD1 2.81Å; C24-D36 PolarHBondContact SG-OD1 2.86Å; T32-D36 WeakPolarHBondContact O-CB 3.28Å; T32-D36 PolarHBondContact O-N 3.42Å; T32-D36 PolarHBondContact OG1-OD1 3.05Å; T32-D36 VanDerWaalsContact OG1-OD1 3.14Å; D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact O-N 2.98Å; D36-A39 PolarHBondContact O-N 3.11Å; D36-A39 VanDerWaalsContact O-N 3.17Å; D36-N40 WeakPolarHBondContact O-CB 3.28Å; D36-N40 VanDerWaalsContact O-CG 3.28Å; D36-N40 PolarHBondContact O-N 3.25Å; D36-N40 PolarHBondContact O-ND2 3.23Å
37R98.2Very high96.7Very high70 Ų7035.9 Ų35.926%0.26419%0.192SC..Hα-helixtrans-57.8-42.5170.6-179.3-176.6170.8-155.6-9.2111.4P33 N34 I35 A39 N40 E41 D308P33-R37 WeakPolarHBondContact O-CB 3.36Å; P33-R37 PolarHBondContact O-N 3.38Å; N34-R37 WeakPolarHBondContact O-CB 3.45Å; N34-R37 PolarHBondContact O-N 3.45Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 2.96Å; R37-A39 VanDerWaalsContact C-N 3.33Å; R37-A39 PolarHBondContact O-N 3.33Å; R37-N40 PolarHBondContact O-N 3.18Å; R37-E41 HydrophobicContact CG-CG 4.27Å; R37-E41 WeakPolarHBondContact CG-OE1 3.43Å; R37-E41 IonicContact CZ-OE1 3.62Å; R37-E41 IonicContact NE-OE1 3Å; R37-E41 PolarHBondContact NE-OE1 2.82Å; R37-E41 IonicContact NE-OE2 3.66Å; R37-E41 IonicContact NH2-OE1 3.93Å; R37-E41 WeakPolarHBondContact O-CB 3.33Å; R37-E41 WeakPolarHBondContact O-CG 3.43Å; R37-E41 PolarHBondContact O-N 2.74Å; R37-D308 IonicContact CZ-OD2 3.3Å; R37-D308 IonicContact NH1-OD2 2.82Å; R37-D308 IonicContact NH2-OD2 2.98Å; R37-D308 PolarHBondContact NH2-OD2 2.94Å
38L97.9Very high97Very high2 Ų235.5 Ų35.51%0.0119%0.19CC..Hα-helixtrans-59.2-43.1174-73176.8000112.5L12 N34 I35 D36 G42 V300 L304 V318 F320 I362 R364L12-L38 HydrophobicContact CD1-CD1 4.31Å; N34-L38 PolarHBondContact O-N 3.37Å; N34-L38 VanDerWaalsContact O-N 3.14Å; I35-L38 VanDerWaalsContact O-CB 3.3Å; I35-L38 WeakPolarHBondContact O-CB 3.27Å; I35-L38 PolarHBondContact O-N 2.9Å; I35-L38 VanDerWaalsContact O-N 3.09Å; D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact O-N 2.98Å; L38-G42 PolarHBondContact O-N 3.36Å; L38-V300 HydrophobicContact CD1-CG1 3.78Å; L38-L304 HydrophobicContact CD1-CD1 4.25Å; L38-L304 HydrophobicContact CD2-CD1 3.59Å; L38-L304 HydrophobicContact CD2-CD2 3.63Å; L38-L304 HydrophobicContact CD2-CG 4.25Å; L38-L304 HydrophobicContact CG-CD1 3.7Å; L38-L304 HydrophobicContact CG-CD2 4.46Å; L38-V318 HydrophobicContact CD1-CG1 4.4Å; L38-V318 HydrophobicContact CD2-CB 4.45Å; L38-V318 HydrophobicContact CD2-CG1 4.08Å; L38-F320 HydrophobicContact CD1-CB 4.1Å; L38-I362 HydrophobicContact CB-CG2 3.79Å; L38-R364 HydrophobicContact CD2-CB 3.9Å; L38-R364 VanDerWaalsContact CD2-CD 3.43Å; L38-R364 HydrophobicContact CD2-CG 4.31Å
39A98.2Very high97.4Very high5 Ų529.2 Ų29.24%0.04116%0.157CC..Hα-helixtrans-67.3-43.2179.600000111.8C24 I35 D36 R37 G42 R44 I362C24-A39 HydrophobicContact CB-CB 3.88Å; I35-A39 PolarHBondContact O-N 2.93Å; D36-A39 PolarHBondContact O-N 3.11Å; D36-A39 VanDerWaalsContact O-N 3.17Å; R37-A39 VanDerWaalsContact C-N 3.33Å; R37-A39 PolarHBondContact O-N 3.33Å; A39-G42 CarbonylContact O-C 3.56Å; A39-G42 PolarHBondContact O-N 3.48Å; A39-R44 HydrophobicContact CB-CB 4.48Å; A39-I362 HydrophobicContact CB-CD1 4.2Å; A39-I362 HydrophobicContact CB-CG1 4.44Å; A39-I362 HydrophobicContact CB-CG2 4.19Å
40N98.2Very high97.9Very high111 Ų11127.4 Ų27.459%0.59414%0.144SC*.Hα-helixtrans-68.7-35.7179.6-70.3-25000112.6D36 R37 G42 G372D36-N40 WeakPolarHBondContact O-CB 3.28Å; D36-N40 VanDerWaalsContact O-CG 3.28Å; D36-N40 PolarHBondContact O-N 3.25Å; D36-N40 PolarHBondContact O-ND2 3.23Å; R37-N40 PolarHBondContact O-N 3.18Å; N40-G42 VanDerWaalsContact C-N 3.29Å; N40-G372 WeakPolarHBondContact O-CA 3.33Å; N40-G372 PolarHBondContact O-N 3.26Å
41E97.9Very high98.1Very high59 Ų5927.2 Ų27.228%0.27614%0.143SC..THydrogen-bonded Turntrans-88.45.6178.6-64.6-178.8-16300113.2R37 R364R37-E41 HydrophobicContact CG-CG 4.27Å; R37-E41 WeakPolarHBondContact CG-OE1 3.43Å; R37-E41 IonicContact CZ-OE1 3.62Å; R37-E41 IonicContact NE-OE1 3Å; R37-E41 PolarHBondContact NE-OE1 2.82Å; R37-E41 IonicContact NE-OE2 3.66Å; R37-E41 IonicContact NH2-OE1 3.93Å; R37-E41 WeakPolarHBondContact O-CB 3.33Å; R37-E41 WeakPolarHBondContact O-CG 3.43Å; R37-E41 PolarHBondContact O-N 2.74Å; E41-R364 HydrophobicContact CB-CG 4.34Å; E41-R364 IonicContact OE2-CZ 2.69Å; E41-R364 IonicContact OE2-NE 2.68Å; E41-R364 PolarHBondContact OE2-NE 3.2Å; E41-R364 IonicContact OE2-NH2 3.06Å; E41-R364 PolarHBondContact OE2-NH2 3.45Å
42G98Very high98.2Very high0 Ų024.8 Ų24.80%013%0.127CC..SBendtrans-148.1-149.1-171.400000114L38 A39 N40 F363 A371 G372 R373L38-G42 PolarHBondContact O-N 3.36Å; A39-G42 CarbonylContact O-C 3.56Å; A39-G42 PolarHBondContact O-N 3.48Å; N40-G42 VanDerWaalsContact C-N 3.29Å; G42-F363 CarbonylContact C-O 3.59Å; G42-F363 WeakPolarHBondContact CA-O 3.38Å; G42-A371 CarbonylContact O-C 3.52Å; G42-G372 PolarHBondContact O-N 2.81Å; G42-R373 PolarHBondContact O-N 3.49Å; G42-R373 VanDerWaalsContact O-N 3.12Å
43V98.8Very high98.2Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-113.6125.2-179.2-173.10000109.3I362 F363 L369 R373 I375 L411V43-I362 WeakPolarHBondContact O-CA 3.48Å; V43-F363 HydrophobicContact CB-CB 4.47Å; V43-F363 PolarHBondContact N-O 2.88Å; V43-F363 PolarHBondContact O-N 2.74Å; V43-L369 HydrophobicContact CG2-CB 4.03Å; V43-L369 HydrophobicContact CG2-CD1 4.1Å; V43-L369 HydrophobicContact CG2-CD2 4.49Å; V43-L369 HydrophobicContact CG2-CG 4.42Å; V43-R373 CarbonylContact C-O 3.52Å; V43-R373 VanDerWaalsContact CA-O 3.29Å; V43-R373 WeakPolarHBondContact CA-O 3.44Å; V43-R373 HydrophobicContact CG1-CB 4.36Å; V43-R373 HydrophobicContact CG1-CG 4.32Å; V43-R373 HydrophobicContact CG2-CB 4.2Å; V43-I375 HydrophobicContact CG1-CD1 3.53Å; V43-I375 HydrophobicContact CG1-CG1 3.79Å; V43-L411 HydrophobicContact CB-CD2 4.18Å; V43-L411 HydrophobicContact CG1-CD2 3.92Å
44R98.7Very high98.1Very high76 Ų7622.3 Ų22.329%0.28711%0.11SC..EExtended strand (participates in β ladder)trans-103124.3174.7-173.1-177.864-166.5-4.8110.6C24 Y25 A39 R373 V374 I375C24-R44 WeakPolarHBondContact O-CD 3.34Å; C24-R44 PolarHBondContact O-NH1 3.21Å; Y25-R44 HydrophobicContact CE1-CG 4.26Å; Y25-R44 HydrophobicContact CE2-CG 4.03Å; Y25-R44 WeakPolarHBondContact OH-CG 3.45Å; A39-R44 HydrophobicContact CB-CB 4.48Å; R44-R373 PolarHBondContact N-O 2.97Å; R44-V374 WeakPolarHBondContact O-CA 3.19Å; R44-I375 PolarHBondContact O-N 3.41Å
45L98.7Very high98Very high0 Ų020.7 Ų20.70%010%0.101CC..EExtended strand (participates in β ladder)trans-91.8126.1173.7-57.5174.4000109.8Y25 H48 G361 F363 I375 T379 L411Y25-L45 WeakPolarHBondContact CE1-O 3.42Å; Y25-L45 PolarHBondContact OH-O 3.06Å; L45-H48 HydrophobicContact CB-CB 3.93Å; L45-H48 HydrophobicContact CD1-CB 4.21Å; L45-H48 WeakPolarHBondContact CD1-ND1 3.29Å; L45-G361 WeakPolarHBondContact CB-O 2.96Å; L45-G361 PolarHBondContact N-O 2.76Å; L45-F363 HydrophobicContact CD1-CD2 4.02Å; L45-F363 HydrophobicContact CD1-CE2 3.56Å; L45-F363 HydrophobicContact CG-CD2 4.45Å; L45-F363 HydrophobicContact CG-CE2 4.46Å; L45-I375 WeakPolarHBondContact CA-O 3.07Å; L45-I375 HydrophobicContact CD2-CB 3.7Å; L45-I375 HydrophobicContact CD2-CD1 4.35Å; L45-I375 HydrophobicContact CD2-CG2 3.85Å; L45-T379 HydrophobicContact CD2-CG2 4.43Å; L45-L411 HydrophobicContact CD2-CD2 4.41Å
46T97.6Very high97.9Very high30 Ų3020.7 Ų20.718%0.18410%0.101CC..EExtended strand (participates in β ladder)trans-94.2-19.4179.463.50000112.5R358 V374 I375 N376T46-R358 PolarHBondContact O-NH1 3.4Å; T46-V374 HydrophobicContact CG2-CG1 3.5Å; T46-I375 PolarHBondContact N-O 3Å; T46-I375 PolarHBondContact OG1-O 3.41Å; T46-N376 WeakPolarHBondContact CG2-OD1 3.1Å; T46-N376 WeakPolarHBondContact OG1-CA 3.24Å; T46-N376 PolarHBondContact OG1-OD1 3.22Å
47Q97.6Very high97.9Very high14 Ų1419.6 Ų19.67%0.06510%0.096CC..EExtended strand (participates in β ladder)trans-123.151.1-179.9-164.6161.818.200112N376 P378 T379Q47-N376 PolarHBondContact OE1-O 3.26Å; Q47-N376 VanDerWaalsContact OE1-O 3.04Å; Q47-P378 HydrophobicContact CG-CB 4.22Å; Q47-T379 PolarHBondContact O-N 3.44Å; Q47-T379 PolarHBondContact O-OG1 3.41Å
48H98.8Very high98Very high1 Ų116.3 Ų16.31%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-91132.2177-158.750.3000111.9L45 Y319 R358 V359 T379 S380L45-H48 HydrophobicContact CB-CB 3.93Å; L45-H48 HydrophobicContact CD1-CB 4.21Å; L45-H48 WeakPolarHBondContact CD1-ND1 3.29Å; H48-Y319 AromaticContact NE2-CE2 3.8Å; H48-Y319 AromaticContact NE2-CZ 3.63Å; H48-Y319 PolarHBondContact NE2-OH 2.83Å; H48-R358 WeakPolarHBondContact O-CA 3.44Å; H48-V359 PolarHBondContact O-N 3.43Å; H48-T379 PolarHBondContact ND1-OG1 2.8Å; H48-S380 PolarHBondContact CE1-O 3.39Å
49L98.8Very high98Very high1 Ų116.3 Ų16.31%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-127.6125.2-165-50.9168.6000113.6I357 R358 T379 S380 L381 L423 R435L49-I357 CarbonylContact C-O 3.55Å; L49-I357 VanDerWaalsContact CA-O 3.3Å; L49-I357 WeakPolarHBondContact CA-O 3.32Å; L49-I357 HydrophobicContact CD2-CD1 4.29Å; L49-I357 HydrophobicContact CD2-CG1 4.31Å; L49-R358 HydrophobicContact CD2-CB 4.3Å; L49-T379 WeakPolarHBondContact CB-O 3.34Å; L49-T379 WeakPolarHBondContact CG-O 3.35Å; L49-T379 PolarHBondContact N-O 2.87Å; L49-S380 CarbonylContact O-C 3.54Å; L49-S380 WeakPolarHBondContact O-CA 3.32Å; L49-S380 PolarHBondContact O-OG 3.15Å; L49-L381 PolarHBondContact O-N 2.89Å; L49-L423 HydrophobicContact CD1-CD1 3.65Å; L49-R435 VanDerWaalsContact CD1-CZ 3.44Å; L49-R435 VanDerWaalsContact CD2-NH1 3.35Å; L49-R435 VanDerWaalsContact CD2-NH2 3.33Å
50A98.6Very high98Very high1 Ų116.1 Ų16.11%0.0088%0.081CC..  trans-62.813916300000111.3A52 D323 I357 V359 L381A50-A52 WeakPolarHBondContact CB-O 3.43Å; A50-A52 PolarHBondContact O-N 2.91Å; A50-D323 VanDerWaalsContact CB-O 3.25Å; A50-D323 WeakPolarHBondContact CB-O 3.23Å; A50-I357 PolarHBondContact N-O 3.13Å; A50-V359 HydrophobicContact CB-CG1 4.22Å; A50-L381 HydrophobicContact CB-CD1 3.72Å; A50-L381 HydrophobicContact CB-CG 4.34Å
51A96.3Very high98.1Very high3 Ų310.8 Ų10.83%0.0255%0.053CC..SBendtrans-73.2-15.6176.900000112.8A61 Y67 M382A51-A61 HydrophobicContact CB-CB 3.42Å; A51-A61 VanDerWaalsContact CB-CB 3.42Å; A51-Y67 HydrophobicContact CB-CD1 4.44Å; A51-M382 HydrophobicContact CB-CE 4.43Å; A51-M382 HydrophobicContact CB-CG 3.8Å; A51-M382 HydrophobicContact CB-SD 3.83Å
52A97.8Very high98.1Very high9 Ų98 Ų87%0.0744%0.04CC..BIsolated β-bridgetrans-151.5153.9171.500000109.9A50 M54 P57 S58 P68A50-A52 WeakPolarHBondContact CB-O 3.43Å; A50-A52 PolarHBondContact O-N 2.91Å; A52-M54 PolarHBondContact O-N 3.3Å; A52-P57 HydrophobicContact CB-CB 3.6Å; A52-P57 HydrophobicContact CB-CG 3.72Å; A52-S58 WeakPolarHBondContact O-CB 3.49Å; A52-P68 HydrophobicContact CB-CG 4.15Å
53S97.1Very high98.1Very high3 Ų38.1 Ų8.12%0.0214%0.041CC..SBendtrans-87.218.6-18055.50000113.9G349 M350 G351 G356S53-G349 WeakPolarHBondContact O-CA 3.32Å; S53-G349 PolarHBondContact O-N 3.14Å; S53-G349 WeakPolarHBondContact OG-CA 3.25Å; S53-M350 PolarHBondContact OG-N 2.77Å; S53-G351 VanDerWaalsContact OG-CA 3.3Å; S53-G351 WeakPolarHBondContact OG-CA 3.29Å; S53-G351 PolarHBondContact OG-N 2.91Å; S53-G356 WeakPolarHBondContact CA-O 3.48Å; S53-G356 VanDerWaalsContact CB-O 3.25Å; S53-G356 WeakPolarHBondContact CB-O 3.31Å
54M96.7Very high98.2Very high16 Ų168.1 Ų8.18%0.0794%0.041CC..SBendtrans-134.8146.4-179.8-67.1-68.6-62.300110.2A52 T56 P57 S58 R81 A82 N324 K348 G349 I467A52-M54 PolarHBondContact O-N 3.3Å; M54-T56 PolarHBondContact O-N 3.02Å; M54-P57 HydrophobicContact CB-CG 3.63Å; M54-P57 VanDerWaalsContact O-CD 3.27Å; M54-P57 WeakPolarHBondContact O-CD 3.48Å; M54-P57 VanDerWaalsContact O-CG 3.28Å; M54-P57 WeakPolarHBondContact O-CG 3.37Å; M54-S58 VanDerWaalsContact O-CB 3.25Å; M54-S58 WeakPolarHBondContact O-CB 3.42Å; M54-S58 PolarHBondContact O-N 3.38Å; M54-R81 HydrophobicContact CE-CB 4.11Å; M54-R81 HydrophobicContact CG-CB 4.23Å; M54-A82 HydrophobicContact CE-CB 4.11Å; M54-N324 VanDerWaalsContact C-OD1 3.24Å; M54-K348 HydrophobicContact SD-CG 4.17Å; M54-G349 VanDerWaalsContact SD-CA 3.58Å; M54-I467 HydrophobicContact CE-CD1 3.75Å; M54-I467 HydrophobicContact SD-CD1 3.9Å
55C96.7Very high98.2Very high3 Ų34.5 Ų4.52%0.023%0.027CC..Hα-helixtrans-53.3-59.8-171.7-47.90000113.5D15 S58 R59 K115 H117 D323 N324D15-C55 PolarHBondContact OD1-SG 3.32Å; C55-S58 PolarHBondContact O-N 3.23Å; C55-R59 WeakPolarHBondContact O-CB 3.23Å; C55-R59 VanDerWaalsContact O-CD 3.32Å; C55-R59 WeakPolarHBondContact O-CD 3.5Å; C55-R59 WeakPolarHBondContact O-CG 3.4Å; C55-R59 PolarHBondContact O-N 2.87Å; C55-K115 PolarHBondContact SG-NZ 3.01Å; C55-H117 WeakPolarHBondContact CB-ND1 3.21Å; C55-D323 WeakPolarHBondContact CA-OD2 3.03Å; C55-D323 WeakPolarHBondContact CB-OD2 3.4Å; C55-N324 PolarHBondContact N-OD1 2.61Å; C55-N324 VanDerWaalsContact N-OD1 3.08Å
56T97.9Very high98.2Very high0 Ų05.5 Ų5.50%03%0.031CC..Hα-helixtrans-57.4-55.7-176-57.20000113.3M54 S58 R59 A60 M73 L83 H117 L118 F528M54-T56 PolarHBondContact O-N 3.02Å; T56-S58 VanDerWaalsContact C-N 3.33Å; T56-S58 PolarHBondContact O-N 2.81Å; T56-R59 PolarHBondContact O-N 3.11Å; T56-A60 PolarHBondContact O-N 3.38Å; T56-M73 HydrophobicContact CG2-CE 3.38Å; T56-L83 HydrophobicContact CG2-CD1 4.05Å; T56-L83 HydrophobicContact CG2-CG 4.03Å; T56-L83 PolarHBondContact OG1-N 2.69Å; T56-H117 VanDerWaalsContact CG2-O 3.28Å; T56-H117 WeakPolarHBondContact CG2-O 3.31Å; T56-H117 PolarHBondContact OG1-CD2 2.92Å; T56-H117 VanDerWaalsContact OG1-CD2 3.27Å; T56-H117 PolarHBondContact OG1-CE1 3.3Å; T56-H117 PolarHBondContact OG1-ND1 2.87Å; T56-H117 PolarHBondContact OG1-NE2 2.92Å; T56-H117 PolarHBondContact OG1-O 3.49Å; T56-L118 HydrophobicContact CG2-CD2 4.01Å; T56-L118 WeakPolarHBondContact O-CD2 3.45Å; T56-F528 HydrophobicContact CG2-CE1 4.47Å; T56-F528 HydrophobicContact CG2-CE2 3.79Å; T56-F528 HydrophobicContact CG2-CZ 3.34Å
57P98.4Very high98.2Very high8 Ų84.5 Ų4.55%0.0522%0.024CC..Hα-helixtrans-61.4-40.9178.720-30.3000112.1A52 M54 R59 A60 A61 P68 M73A52-P57 HydrophobicContact CB-CB 3.6Å; A52-P57 HydrophobicContact CB-CG 3.72Å; M54-P57 HydrophobicContact CB-CG 3.63Å; M54-P57 VanDerWaalsContact O-CD 3.27Å; M54-P57 WeakPolarHBondContact O-CD 3.48Å; M54-P57 VanDerWaalsContact O-CG 3.28Å; M54-P57 WeakPolarHBondContact O-CG 3.37Å; P57-R59 PolarHBondContact O-N 2.68Å; P57-A60 WeakPolarHBondContact O-CB 3.48Å; P57-A60 PolarHBondContact O-N 3.36Å; P57-A61 PolarHBondContact O-N 2.82Å; P57-P68 HydrophobicContact CB-CB 3.67Å; P57-P68 HydrophobicContact CB-CG 3.72Å; P57-P68 VanDerWaalsContact O-CG 3.24Å; P57-P68 WeakPolarHBondContact O-CG 3.47Å; P57-M73 VanDerWaalsContact CB-O 3.32Å; P57-M73 WeakPolarHBondContact CB-O 3.49Å
58S98.6Very high98.2Very high0 Ų04 Ų40%02%0.021CC..Hα-helixtrans-64.1-44.1-179-1680000112.3A52 M54 C55 T56 A60 A61 F62 D323 L381A52-S58 WeakPolarHBondContact O-CB 3.49Å; M54-S58 VanDerWaalsContact O-CB 3.25Å; M54-S58 WeakPolarHBondContact O-CB 3.42Å; M54-S58 PolarHBondContact O-N 3.38Å; C55-S58 PolarHBondContact O-N 3.23Å; T56-S58 VanDerWaalsContact C-N 3.33Å; T56-S58 PolarHBondContact O-N 2.81Å; S58-A60 VanDerWaalsContact C-N 3.33Å; S58-A60 PolarHBondContact O-N 3.29Å; S58-A61 WeakPolarHBondContact O-CB 3.37Å; S58-A61 PolarHBondContact O-N 3.28Å; S58-A61 VanDerWaalsContact O-N 3.16Å; S58-F62 WeakPolarHBondContact O-CB 3.36Å; S58-F62 PolarHBondContact O-N 2.94Å; S58-D323 WeakPolarHBondContact CB-O 3.45Å; S58-D323 PolarHBondContact OG-O 2.8Å; S58-L381 WeakPolarHBondContact OG-CD1 3.33Å
59R98.8Very high98.2Very high3 Ų35.5 Ų5.51%0.0113%0.029CC..Hα-helixtrans-62.4-39175.1-70.7163-178.7-81.4-9.1112.1M13 D15 C55 T56 P57 A61 F62 L63 K115 L118 S266 D323M13-R59 HydrophobicContact SD-CG 4.14Å; D15-R59 IonicContact OD1-NH2 3.44Å; C55-R59 WeakPolarHBondContact O-CB 3.23Å; C55-R59 VanDerWaalsContact O-CD 3.32Å; C55-R59 WeakPolarHBondContact O-CD 3.5Å; C55-R59 WeakPolarHBondContact O-CG 3.4Å; C55-R59 PolarHBondContact O-N 2.87Å; T56-R59 PolarHBondContact O-N 3.11Å; P57-R59 PolarHBondContact O-N 2.68Å; R59-A61 VanDerWaalsContact C-N 3.32Å; R59-A61 PolarHBondContact O-N 3.48Å; R59-F62 PolarHBondContact O-N 3.5Å; R59-L63 WeakPolarHBondContact O-CD1 3.42Å; R59-L63 PolarHBondContact O-N 3.05Å; R59-K115 PolarHBondContact NH1-O 3.12Å; R59-L118 HydrophobicContact CB-CD1 4.28Å; R59-L118 HydrophobicContact CB-CD2 4.25Å; R59-L118 HydrophobicContact CB-CG 4.38Å; R59-S266 PolarHBondContact NH1-OG 3.17Å; R59-D323 HydrophobicContact CG-CB 4.21Å; R59-D323 IonicContact CZ-OD2 2.87Å; R59-D323 VanDerWaalsContact CZ-OD2 3.3Å; R59-D323 IonicContact NE-OD2 2.89Å; R59-D323 PolarHBondContact NE-OD2 3.3Å; R59-D323 IonicContact NH2-OD2 3.52Å; R59-D323 PolarHBondContact NH2-OD2 3.48Å
60A98.8Very high98.2Very high0 Ų06.1 Ų6.10%03%0.032CC..Hα-helixtrans-60.4-44.5174.600000111T56 P57 S58 L63 T64 M73 L92 L118T56-A60 PolarHBondContact O-N 3.38Å; P57-A60 WeakPolarHBondContact O-CB 3.48Å; P57-A60 PolarHBondContact O-N 3.36Å; S58-A60 VanDerWaalsContact C-N 3.33Å; S58-A60 PolarHBondContact O-N 3.29Å; A60-L63 PolarHBondContact O-N 3.46Å; A60-T64 WeakPolarHBondContact O-CB 3.47Å; A60-T64 WeakPolarHBondContact O-CG2 3.49Å; A60-T64 PolarHBondContact O-N 3.22Å; A60-T64 PolarHBondContact O-OG1 3.13Å; A60-M73 HydrophobicContact CB-CB 3.94Å; A60-M73 HydrophobicContact CB-CE 4.16Å; A60-M73 HydrophobicContact CB-CG 3.95Å; A60-L92 HydrophobicContact CB-CD1 4.15Å; A60-L118 HydrophobicContact CB-CD2 3.74Å
61A98.8Very high98.1Very high0 Ų06.2 Ų6.20%03%0.032CC..Hα-helixtrans-67.8-41.1177.700000113A51 P57 S58 R59 L63 T64 G65 R66 P68 M382A51-A61 HydrophobicContact CB-CB 3.42Å; A51-A61 VanDerWaalsContact CB-CB 3.42Å; P57-A61 PolarHBondContact O-N 2.82Å; S58-A61 WeakPolarHBondContact O-CB 3.37Å; S58-A61 PolarHBondContact O-N 3.28Å; S58-A61 VanDerWaalsContact O-N 3.16Å; R59-A61 VanDerWaalsContact C-N 3.32Å; R59-A61 PolarHBondContact O-N 3.48Å; A61-L63 VanDerWaalsContact C-N 3.32Å; A61-L63 PolarHBondContact O-N 3.04Å; A61-T64 PolarHBondContact O-N 2.87Å; A61-G65 WeakPolarHBondContact O-CA 3.42Å; A61-G65 PolarHBondContact O-N 3.45Å; A61-R66 WeakPolarHBondContact CA-O 3.28Å; A61-R66 WeakPolarHBondContact CB-O 3.4Å; A61-P68 HydrophobicContact CB-CG 3.97Å; A61-M382 HydrophobicContact CB-CG 3.97Å; A61-M382 HydrophobicContact CB-SD 4.45Å
62F98.9Very high98.2Very high1 Ų16.1 Ų6.10%0.0043%0.031CC..Hα-helixtrans-56.8-46174.9179.6-109000111.7L11 M13 S58 R59 T64 F99 F264 Y319 L381 I384L11-F62 HydrophobicContact CD1-CE1 4.17Å; L11-F62 HydrophobicContact CD1-CZ 3.98Å; M13-F62 HydrophobicContact CE-CB 4.09Å; M13-F62 HydrophobicContact CE-CD1 3.48Å; M13-F62 VanDerWaalsContact CE-CD1 3.48Å; M13-F62 HydrophobicContact CE-CD2 3.58Å; M13-F62 HydrophobicContact CE-CE1 3.67Å; M13-F62 HydrophobicContact CE-CE2 3.77Å; M13-F62 HydrophobicContact CE-CG 3.44Å; M13-F62 VanDerWaalsContact CE-CG 3.44Å; M13-F62 HydrophobicContact CE-CZ 3.81Å; M13-F62 HydrophobicContact SD-CD1 4.45Å; S58-F62 WeakPolarHBondContact O-CB 3.36Å; S58-F62 PolarHBondContact O-N 2.94Å; R59-F62 PolarHBondContact O-N 3.5Å; F62-T64 PolarHBondContact O-N 3Å; F62-F99 AromaticContact CD1-CE1 3.7Å; F62-F99 HydrophobicContact CD1-CE1 3.7Å; F62-F99 HydrophobicContact CD1-CZ 4.06Å; F62-F99 AromaticContact CE1-CE1 3.6Å; F62-F99 HydrophobicContact CE1-CE1 3.6Å; F62-F99 AromaticContact CE1-CZ 3.62Å; F62-F99 HydrophobicContact CE1-CZ 3.62Å; F62-F99 HydrophobicContact CG-CE1 4.4Å; F62-F99 HydrophobicContact CZ-CE1 4.22Å; F62-F99 HydrophobicContact CZ-CZ 4.36Å; F62-F99 WeakPolarHBondContact O-CD1 3.33Å; F62-F99 WeakPolarHBondContact O-CE1 3.48Å; F62-F264 HydrophobicContact CD1-CE1 4.42Å; F62-F264 HydrophobicContact CD1-CZ 4.07Å; F62-F264 HydrophobicContact CE1-CE1 4.16Å; F62-F264 AromaticContact CE1-CE2 3.87Å; F62-F264 HydrophobicContact CE1-CE2 3.87Å; F62-F264 AromaticContact CE1-CZ 3.69Å; F62-F264 HydrophobicContact CE1-CZ 3.69Å; F62-Y319 HydrophobicContact CE2-CD1 4.4Å; F62-Y319 AromaticContact CE2-CE1 3.62Å; F62-Y319 HydrophobicContact CE2-CE1 3.62Å; F62-Y319 HydrophobicContact CZ-CD1 4.43Å; F62-Y319 HydrophobicContact CZ-CE1 4.03Å; F62-L381 HydrophobicContact CD2-CB 4.21Å; F62-L381 HydrophobicContact CD2-CD2 4.47Å; F62-I384 HydrophobicContact CD2-CB 4.25Å; F62-I384 HydrophobicContact CD2-CG2 3.51Å; F62-I384 HydrophobicContact CE2-CB 3.78Å; F62-I384 HydrophobicContact CE2-CG1 3.9Å; F62-I384 HydrophobicContact CE2-CG2 3.38Å; F62-I384 HydrophobicContact CG-CG2 4.17Å; F62-I384 HydrophobicContact CZ-CB 4.43Å; F62-I384 HydrophobicContact CZ-CG1 4.13Å; F62-I384 HydrophobicContact CZ-CG2 3.95Å; F62-I384 VanDerWaalsContact O-CG2 3.26Å; F62-I384 WeakPolarHBondContact O-CG2 3.45Å
63L98.8Very high98.2Very high2 Ų25.7 Ų5.71%0.013%0.027CC..Hα-helixtrans-71.8-28-178.6-80.2153.4000114R59 A60 A61 T98 F99 W116 L118 F137 Y385R59-L63 WeakPolarHBondContact O-CD1 3.42Å; R59-L63 PolarHBondContact O-N 3.05Å; A60-L63 PolarHBondContact O-N 3.46Å; A61-L63 VanDerWaalsContact C-N 3.32Å; A61-L63 PolarHBondContact O-N 3.04Å; L63-T98 HydrophobicContact CB-CG2 4.07Å; L63-T98 HydrophobicContact CD2-CG2 4.31Å; L63-T98 CarbonylContact O-C 3.57Å; L63-T98 WeakPolarHBondContact O-CA 3.15Å; L63-F99 HydrophobicContact CB-CE1 4.37Å; L63-F99 HydrophobicContact CD2-CD1 4.27Å; L63-F99 HydrophobicContact CD2-CE1 3.67Å; L63-F99 HydrophobicContact CD2-CE2 4.04Å; L63-F99 HydrophobicContact CD2-CZ 3.5Å; L63-F99 HydrophobicContact CG-CE1 4.03Å; L63-F99 HydrophobicContact CG-CZ 4.24Å; L63-F99 PolarHBondContact O-N 3.35Å; L63-W116 HydrophobicContact CD1-CE3 4.3Å; L63-W116 HydrophobicContact CD1-CH2 3.75Å; L63-W116 HydrophobicContact CD1-CZ3 3.37Å; L63-W116 HydrophobicContact CD2-CZ3 4.4Å; L63-L118 HydrophobicContact CD1-CD1 3.26Å; L63-F137 HydrophobicContact CD2-CE2 4.1Å; L63-F137 HydrophobicContact CD2-CZ 4.11Å; L63-Y385 WeakPolarHBondContact O-CD2 2.93Å; L63-Y385 WeakPolarHBondContact O-CE2 3.32Å
64T98.8Very high98.1Very high0 Ų05.8 Ų5.80%03%0.028CC..Hα-helixtrans-112.8-12.3-169.659.80000114.6A60 A61 F62 R66 L92 E96 Y385A60-T64 WeakPolarHBondContact O-CB 3.47Å; A60-T64 WeakPolarHBondContact O-CG2 3.49Å; A60-T64 PolarHBondContact O-N 3.22Å; A60-T64 PolarHBondContact O-OG1 3.13Å; A61-T64 PolarHBondContact O-N 2.87Å; F62-T64 PolarHBondContact O-N 3Å; T64-R66 PolarHBondContact O-N 3.43Å; T64-R66 PolarHBondContact OG1-N 3.08Å; T64-L92 HydrophobicContact CG2-CD1 4Å; T64-E96 HydrophobicContact CG2-CB 3.94Å; T64-E96 HydrophobicContact CG2-CG 4.41Å; T64-Y385 VanDerWaalsContact C-CD2 3.47Å
65G98.7Very high97.9Very high0 Ų05.1 Ų5.10%03%0.025CC..THydrogen-bonded Turntrans65.421.7-173.600000113.9A61 M382 Y385 D403 G404A61-G65 WeakPolarHBondContact O-CA 3.42Å; A61-G65 PolarHBondContact O-N 3.45Å; G65-M382 WeakPolarHBondContact CA-O 3.48Å; G65-Y385 VanDerWaalsContact CA-CB 3.47Å; G65-D403 PolarHBondContact O-N 3.38Å; G65-G404 PolarHBondContact O-N 3.48Å
66R98.7Very high97.5Very high21 Ų216.7 Ų6.78%0.0794%0.035CC..SBendtrans-129.1144.8-171.2-74.3161.456.985.4-8.4111A61 T64 E96 M382 R400 V401 I402 D403A61-R66 WeakPolarHBondContact CA-O 3.28Å; A61-R66 WeakPolarHBondContact CB-O 3.4Å; T64-R66 PolarHBondContact O-N 3.43Å; T64-R66 PolarHBondContact OG1-N 3.08Å; R66-E96 IonicContact CZ-OE1 2.8Å; R66-E96 IonicContact CZ-OE2 2.87Å; R66-E96 IonicContact NE-OE1 3.62Å; R66-E96 PolarHBondContact NE-OE1 3.28Å; R66-E96 IonicContact NE-OE2 3.7Å; R66-E96 PolarHBondContact NE-OE2 3.45Å; R66-E96 VanDerWaalsContact NE-OE2 3.14Å; R66-E96 IonicContact NH2-OE1 2.77Å; R66-E96 PolarHBondContact NH2-OE1 3.24Å; R66-M382 VanDerWaalsContact C-SD 3.54Å; R66-R400 VanDerWaalsContact NH1-CB 3.32Å; R66-V401 WeakPolarHBondContact CG-O 3.31Å; R66-V401 PolarHBondContact NH1-O 3.23Å; R66-I402 HydrophobicContact CG-CD1 4.04Å; R66-D403 VanDerWaalsContact CA-OD2 3.28Å; R66-D403 WeakPolarHBondContact CA-OD2 3.46Å
67Y98.8Very high97Very high9 Ų912.9 Ų12.94%0.0356%0.059CC..  trans-57.6139.9173.3-80.6-65.4000110.9A51 I69 R70 M382 D403 F424 H517A51-Y67 HydrophobicContact CB-CD1 4.44Å; Y67-I69 PolarHBondContact O-N 3.46Å; Y67-R70 WeakPolarHBondContact O-CB 3.34Å; Y67-R70 PolarHBondContact O-N 2.68Å; Y67-M382 HydrophobicContact CD1-CE 4.09Å; Y67-M382 HydrophobicContact CD1-SD 3.96Å; Y67-M382 HydrophobicContact CD2-CE 4.4Å; Y67-M382 HydrophobicContact CD2-SD 4.43Å; Y67-M382 HydrophobicContact CE1-CE 3.66Å; Y67-M382 HydrophobicContact CE1-SD 4.15Å; Y67-M382 HydrophobicContact CE2-CE 4Å; Y67-M382 HydrophobicContact CG-CE 4.43Å; Y67-M382 HydrophobicContact CG-SD 4.09Å; Y67-D403 HydrophobicContact CD2-CB 3.92Å; Y67-D403 WeakPolarHBondContact CD2-OD1 3.3Å; Y67-D403 WeakPolarHBondContact CD2-OD2 3.48Å; Y67-D403 HydrophobicContact CE2-CB 4.01Å; Y67-D403 PolarHBondContact N-OD2 2.93Å; Y67-F424 HydrophobicContact CE1-CB 4.5Å; Y67-F424 WeakPolarHBondContact CE1-O 3.1Å; Y67-F424 HydrophobicContact CE2-CB 4.43Å; Y67-F424 HydrophobicContact CE2-CD2 4.02Å; Y67-F424 PolarHBondContact OH-N 2.75Å; Y67-F424 PolarHBondContact OH-O 2.82Å; Y67-H517 AromaticContact CD2-CE1 3.86Å
68P98.4Very high96.3Very high3 Ų315.4 Ų15.42%0.0197%0.072CC..G310 helixtrans-58.2-28.3-176.4-28.237.9000114.2A52 P57 A61 R70 S71 G72 M73 V74A52-P68 HydrophobicContact CB-CG 4.15Å; P57-P68 HydrophobicContact CB-CB 3.67Å; P57-P68 HydrophobicContact CB-CG 3.72Å; P57-P68 VanDerWaalsContact O-CG 3.24Å; P57-P68 WeakPolarHBondContact O-CG 3.47Å; A61-P68 HydrophobicContact CB-CG 3.97Å; P68-R70 PolarHBondContact O-N 2.77Å; P68-S71 PolarHBondContact O-N 3.39Å; P68-S71 PolarHBondContact O-OG 3.03Å; P68-G72 PolarHBondContact O-N 3.39Å; P68-M73 HydrophobicContact CB-CB 4.37Å; P68-M73 PolarHBondContact O-N 3.31Å; P68-V74 HydrophobicContact CB-CG1 3.58Å
69I97.9Very high95.4Very high33 Ų3320.7 Ų20.717%0.16910%0.1CC..G310 helixtrans-63.1-27.2176.1-165.8163.9000112.6Y67 S71 G72 V74 Y426 L521 V524Y67-I69 PolarHBondContact O-N 3.46Å; I69-S71 VanDerWaalsContact C-N 3.3Å; I69-S71 PolarHBondContact O-N 2.87Å; I69-G72 PolarHBondContact O-N 3.46Å; I69-V74 HydrophobicContact CB-CG1 4.42Å; I69-V74 HydrophobicContact CB-CG2 4.38Å; I69-V74 HydrophobicContact CG1-CG2 4.29Å; I69-Y426 HydrophobicContact CD1-CD1 4.23Å; I69-Y426 HydrophobicContact CD1-CE1 3.62Å; I69-Y426 HydrophobicContact CG2-CE2 4.44Å; I69-L521 HydrophobicContact CD1-CD1 4.16Å; I69-L521 HydrophobicContact CG2-CD1 4.35Å; I69-L521 HydrophobicContact CG2-CD2 3.77Å; I69-V524 WeakPolarHBondContact O-CG2 3.45Å
70R98.3Very high94.6Very high14 Ų1421.7 Ų21.75%0.05311%0.105CC..G310 helixtrans-73-20.5179.7-59.3-172.1-176.4-74.6-1.3113.5Y67 P68 D403 T520 L521 V524Y67-R70 WeakPolarHBondContact O-CB 3.34Å; Y67-R70 PolarHBondContact O-N 2.68Å; P68-R70 PolarHBondContact O-N 2.77Å; R70-D403 VanDerWaalsContact CD-OD2 3.27Å; R70-D403 WeakPolarHBondContact CD-OD2 3.2Å; R70-D403 IonicContact CZ-OD1 2.68Å; R70-D403 VanDerWaalsContact CZ-OD1 3.26Å; R70-D403 IonicContact CZ-OD2 3.15Å; R70-D403 VanDerWaalsContact NE-CG 3.28Å; R70-D403 IonicContact NE-OD1 3.27Å; R70-D403 PolarHBondContact NE-OD1 3.42Å; R70-D403 IonicContact NE-OD2 2.78Å; R70-D403 PolarHBondContact NE-OD2 2.79Å; R70-D403 IonicContact NH2-OD1 3.51Å; R70-D403 PolarHBondContact NH2-OD1 3.01Å; R70-D403 IonicContact NH2-OD2 2.69Å; R70-T520 PolarHBondContact NH1-O 3.32Å; R70-T520 PolarHBondContact NH1-OG1 2.83Å; R70-T520 PolarHBondContact NH2-OG1 3.47Å; R70-L521 HydrophobicContact CG-CD2 4.1Å; R70-V524 WeakPolarHBondContact O-CG1 3.39Å
71S97.9Very high94.2Very high3 Ų322.6 Ų22.62%0.02111%0.109CC..G310 helixtrans-111.34.6177.558.60000112.7P68 I69 M73 P93 E96P68-S71 PolarHBondContact O-N 3.39Å; P68-S71 PolarHBondContact O-OG 3.03Å; I69-S71 VanDerWaalsContact C-N 3.3Å; I69-S71 PolarHBondContact O-N 2.87Å; S71-M73 PolarHBondContact O-N 3.03Å; S71-M73 WeakPolarHBondContact OG-CG 3.43Å; S71-P93 WeakPolarHBondContact O-CG 3.29Å; S71-E96 WeakPolarHBondContact CB-OE1 3.47Å
72G97.4Very high93.9Very high0 Ų023.2 Ų23.20%011%0.114CC..THydrogen-bonded Turntrans67.816.4-177.300000113.3P68 I69 V74 V524 Q527P68-G72 PolarHBondContact O-N 3.39Å; I69-G72 PolarHBondContact O-N 3.46Å; G72-V74 PolarHBondContact O-N 3.07Å; G72-V74 VanDerWaalsContact O-N 3.07Å; G72-V524 VanDerWaalsContact N-CG2 3.34Å; G72-Q527 WeakPolarHBondContact O-CB 3.46Å; G72-Q527 PolarHBondContact O-N 3.38Å
73M97.8Very high93.7Very high0 Ų023.6 Ų23.60%012%0.116CC..  trans-83.340.9177.4-71.1-64.5-79.600111.3T56 P57 A60 P68 S71 G91 L118 Q527 F528T56-M73 HydrophobicContact CG2-CE 3.38Å; P57-M73 VanDerWaalsContact CB-O 3.32Å; P57-M73 WeakPolarHBondContact CB-O 3.49Å; A60-M73 HydrophobicContact CB-CB 3.94Å; A60-M73 HydrophobicContact CB-CE 4.16Å; A60-M73 HydrophobicContact CB-CG 3.95Å; P68-M73 HydrophobicContact CB-CB 4.37Å; P68-M73 PolarHBondContact O-N 3.31Å; S71-M73 PolarHBondContact O-N 3.03Å; S71-M73 WeakPolarHBondContact OG-CG 3.43Å; M73-G91 VanDerWaalsContact SD-C 3.58Å; M73-G91 VanDerWaalsContact SD-O 3.32Å; M73-L118 HydrophobicContact CE-CD2 3.46Å; M73-L118 VanDerWaalsContact CE-CD2 3.46Å; M73-Q527 HydrophobicContact CG-CG 4.46Å; M73-Q527 HydrophobicContact SD-CB 3.59Å; M73-Q527 VanDerWaalsContact SD-CB 3.59Å; M73-Q527 HydrophobicContact SD-CG 3.79Å; M73-F528 HydrophobicContact CB-CE2 4.34Å; M73-F528 HydrophobicContact CE-CE2 3.98Å; M73-F528 HydrophobicContact SD-CD2 4.43Å; M73-F528 HydrophobicContact SD-CE2 3.82Å
74V95.6Very high93.2Very high6 Ų624.5 Ų24.54%0.03612%0.122CC..SBendtrans-133142.6178.7-68.70000109.4P68 I69 G72 G428 Q526 F528P68-V74 HydrophobicContact CB-CG1 3.58Å; I69-V74 HydrophobicContact CB-CG1 4.42Å; I69-V74 HydrophobicContact CB-CG2 4.38Å; I69-V74 HydrophobicContact CG1-CG2 4.29Å; G72-V74 PolarHBondContact O-N 3.07Å; G72-V74 VanDerWaalsContact O-N 3.07Å; V74-G428 WeakPolarHBondContact CG1-O 3.34Å; V74-Q526 PolarHBondContact O-OE1 2.93Å; V74-F528 WeakPolarHBondContact O-CB 3.39Å
75S92.3Very high92.8Very high2 Ų225.3 Ų25.31%0.01413%0.125CC..  trans-77130.7170.9-1700000110.5Y77 L79 G428 G429S75-Y77 WeakPolarHBondContact CB-O 3.49Å; S75-Y77 PolarHBondContact O-N 2.83Å; S75-Y77 PolarHBondContact OG-N 3.04Å; S75-Y77 VanDerWaalsContact OG-N 3.13Å; S75-Y77 PolarHBondContact OG-O 2.81Å; S75-L79 PolarHBondContact OG-O 3.42Å; S75-G428 CarbonylContact O-C 3.55Å; S75-G429 PolarHBondContact O-N 2.65Å
76P87.5Confident92.6Very high35 Ų3525.6 Ų25.623%0.22713%0.126CC..SBendtrans-74-6.4167.829.5-31.3000112.5Y430P76-Y430 PolarHBondContact O-OH 2.66Å
77Y86.9Confident92.3Very high131 Ų13124.6 Ų24.651%0.51412%0.123SC..SBendtrans-125.7167.8-176.8-51.9-66.5000111.7S75 L79 V530S75-Y77 WeakPolarHBondContact CB-O 3.49Å; S75-Y77 PolarHBondContact O-N 2.83Å; S75-Y77 PolarHBondContact OG-N 3.04Å; S75-Y77 VanDerWaalsContact OG-N 3.13Å; S75-Y77 PolarHBondContact OG-O 2.81Å; Y77-L79 PolarHBondContact O-N 3Å; Y77-V530 HydrophobicContact CD2-CG2 4.49Å; Y77-V530 HydrophobicContact CE2-CG2 4.11Å
78N83.9Confident92.1Very high61 Ų6124.5 Ų24.533%0.32612%0.124SC..SBendtrans-68.7-17.2172.1-72-31.5000113.2C470 S471N78-C470 WeakPolarHBondContact OD1-CA 3.36Å; N78-C470 PolarHBondContact OD1-N 3.39Å; N78-S471 PolarHBondContact ND2-O 3.08Å; N78-S471 PolarHBondContact OD1-N 2.95Å
79L79.6Confident92Very high111 Ų11124.7 Ų24.758%0.58113%0.126SC*.SBendtrans-88.5151.6178.5-167.368.3000111.2S75 Y77 R81S75-L79 PolarHBondContact OG-O 3.42Å; Y77-L79 PolarHBondContact O-N 3Å; L79-R81 PolarHBondContact O-N 3.41Å
80N83.6Confident92Very high23 Ų2323.3 Ų23.312%0.12312%0.119CC..  trans51.350.5173.9-62.3-24.5000113A82 H160 F528 T533N80-A82 CarbonylContact C-O 3.59Å; N80-A82 PolarHBondContact O-N 2.89Å; N80-H160 PolarHBondContact OD1-NE2 3.2Å; N80-F528 WeakPolarHBondContact O-CD1 3.2Å; N80-T533 HydrophobicContact CB-CG2 4.22Å; N80-T533 PolarHBondContact ND2-OG1 2.92Å
81R90.4Very high92Very high20 Ų2022.6 Ų22.68%0.07512%0.117CC..SBendtrans-763177-68.1-172.5-67.1151.8-5.2114.5M54 L79 G349 I467 C468 C470M54-R81 HydrophobicContact CE-CB 4.11Å; M54-R81 HydrophobicContact CG-CB 4.23Å; L79-R81 PolarHBondContact O-N 3.41Å; R81-G349 PolarHBondContact NH1-O 3.09Å; R81-I467 VanDerWaalsContact NH2-CB 3.27Å; R81-C468 VanDerWaalsContact CZ-O 3.25Å; R81-C468 PolarHBondContact NH1-O 3.12Å; R81-C468 PolarHBondContact NH2-O 2.81Å; R81-C470 WeakPolarHBondContact CD-SG 3.45Å; R81-C470 PolarHBondContact NH1-SG 2.82Å
82A92.7Very high92Very high12 Ų1222.5 Ų22.510%0.09912%0.116CC..SBendtrans-136165.6159.800000107.2M54 N80M54-A82 HydrophobicContact CE-CB 4.11Å; N80-A82 CarbonylContact C-O 3.59Å; N80-A82 PolarHBondContact O-N 2.89Å
83L93.2Very high92Very high9 Ų923.1 Ų23.15%0.04712%0.12CC..  trans-62.4147.1167.5-66.3169000108.2T56 G90 H117 G119 F145 F528 T533T56-L83 HydrophobicContact CG2-CD1 4.05Å; T56-L83 HydrophobicContact CG2-CG 4.03Å; T56-L83 PolarHBondContact OG1-N 2.69Å; L83-G90 WeakPolarHBondContact CD1-O 3.33Å; L83-H117 PolarHBondContact O-NE2 3Å; L83-H117 VanDerWaalsContact O-NE2 3.11Å; L83-G119 VanDerWaalsContact CD1-N 3.25Å; L83-F145 WeakPolarHBondContact O-CE2 3.4Å; L83-F528 HydrophobicContact CD2-CD2 4.47Å; L83-F528 HydrophobicContact CD2-CE2 4.32Å; L83-F528 HydrophobicContact CG-CE2 4.32Å; L83-F528 HydrophobicContact CG-CZ 4.45Å; L83-T533 HydrophobicContact CD2-CG2 4.46Å
84T88.4Confident92Very high22 Ų2227.8 Ų27.814%0.13515%0.149CC..  trans-129.5-6.7-173.249.50000113.9L159 N222T84-L159 HydrophobicContact CG2-CD1 4.06Å; T84-N222 PolarHBondContact O-ND2 2.63Å
85W91.3Very high92Very high16 Ų1632.6 Ų32.66%0.06117%0.174CC..  trans-139.6136.8-178-64.297.3000111.1G87 G88 L159 H160 S214 Y215 T218 T533 W535W85-G87 VanDerWaalsContact C-N 3.35Å; W85-G88 PolarHBondContact O-N 3.05Å; W85-L159 HydrophobicContact CD2-CD2 4.06Å; W85-L159 HydrophobicContact CE3-CD2 4.07Å; W85-L159 HydrophobicContact CH2-CD2 3.44Å; W85-L159 VanDerWaalsContact CH2-CD2 3.44Å; W85-L159 HydrophobicContact CH2-CG 4.41Å; W85-L159 HydrophobicContact CZ2-CD1 4.49Å; W85-L159 HydrophobicContact CZ2-CD2 3.41Å; W85-L159 VanDerWaalsContact CZ2-CD2 3.41Å; W85-L159 HydrophobicContact CZ2-CG 4.04Å; W85-L159 HydrophobicContact CZ3-CD2 3.77Å; W85-H160 AromaticContact NE1-CE1 3.72Å; W85-S214 VanDerWaalsContact CH2-O 3.23Å; W85-S214 WeakPolarHBondContact CH2-O 3.05Å; W85-Y215 AromaticContact CH2-CD1 3.82Å; W85-Y215 HydrophobicContact CH2-CD1 3.82Å; W85-Y215 AromaticContact CH2-CE1 3.93Å; W85-Y215 HydrophobicContact CH2-CE1 3.93Å; W85-Y215 HydrophobicContact CZ2-CD1 4.02Å; W85-Y215 AromaticContact CZ2-CE1 3.62Å; W85-Y215 HydrophobicContact CZ2-CE1 3.62Å; W85-T218 HydrophobicContact CZ3-CG2 4.44Å; W85-T533 VanDerWaalsContact CD1-O 3.24Å; W85-W535 HydrophobicContact CD2-CB 3.83Å; W85-W535 HydrophobicContact CD2-CG 4.27Å; W85-W535 HydrophobicContact CE3-CB 4.14Å; W85-W535 AromaticContact CE3-CD1 3.66Å; W85-W535 HydrophobicContact CE3-CG 4.08Å; W85-W535 HydrophobicContact CG-CB 4.06Å; W85-W535 HydrophobicContact CZ3-CG 4.43Å
86L93.5Very high92.3Very high7 Ų733.1 Ų33.14%0.03718%0.176CC..THydrogen-bonded Turntrans-72-31.7167.3-76.5-178.4000112.6G88 L120 P144 F145 N222 I224 P541L86-G88 PolarHBondContact O-N 3.04Å; L86-L120 HydrophobicContact CD2-CB 4.36Å; L86-L120 HydrophobicContact CD2-CD2 4.42Å; L86-P144 HydrophobicContact CD1-CG 3.86Å; L86-P144 HydrophobicContact CD2-CB 3.81Å; L86-P144 HydrophobicContact CD2-CG 3.69Å; L86-P144 HydrophobicContact CG-CG 4.46Å; L86-F145 HydrophobicContact CD1-CB 4.25Å; L86-F145 HydrophobicContact CD2-CB 3.69Å; L86-F145 HydrophobicContact CG-CB 3.87Å; L86-N222 WeakPolarHBondContact CD1-O 3.3Å; L86-N222 PolarHBondContact N-OD1 3.46Å; L86-I224 HydrophobicContact CD1-CD1 3.59Å; L86-I224 HydrophobicContact CD1-CG1 3.62Å; L86-P541 HydrophobicContact CB-CG 3.81Å; L86-P541 HydrophobicContact CD1-CG 4.22Å
87G93.9Very high92.8Very high0 Ų033.3 Ų33.30%018%0.177CC..THydrogen-bonded Turntrans-76.920.2169.700000114.4W85 K536W85-G87 VanDerWaalsContact C-N 3.35Å; G87-K536 WeakPolarHBondContact O-CA 3.46Å; G87-K536 VanDerWaalsContact O-CB 3.29Å; G87-K536 WeakPolarHBondContact O-CB 3.04Å; G87-K536 PolarHBondContact O-N 3.39Å
88G94.6Very high93.4Very high7 Ų727 Ų277%0.07215%0.152CC..  trans-86.6172.6170.900000112.1W85 L86 L539W85-G88 PolarHBondContact O-N 3.05Å; L86-G88 PolarHBondContact O-N 3.04Å; G88-L539 WeakPolarHBondContact O-CD1 3.47Å
89S96.3Very high94.1Very high7 Ų724.1 Ų24.15%0.04914%0.137CC..  trans-117.58.5174.866.90000114C122 Y130 N532 K536S89-C122 WeakPolarHBondContact CB-O 3.19Å; S89-Y130 VanDerWaalsContact O-CE2 3.24Å; S89-Y130 WeakPolarHBondContact O-CE2 3.44Å; S89-Y130 PolarHBondContact O-OH 3.3Å; S89-N532 PolarHBondContact N-O 3.29Å; S89-N532 WeakPolarHBondContact OG-CA 3.13Å; S89-N532 PolarHBondContact OG-OD1 3.45Å; S89-K536 PolarHBondContact OG-NZ 2.93Å
90G96.7Very high95Very high3 Ų318.9 Ų18.93%0.03111%0.109CC..  trans-85.9140.417100000111.1L83 G119 Q527 N532L83-G90 WeakPolarHBondContact CD1-O 3.33Å; G90-G119 WeakPolarHBondContact O-CA 3.42Å; G90-Q527 WeakPolarHBondContact CA-O 3.35Å; G90-N532 PolarHBondContact N-O 2.58Å; G90-N532 VanDerWaalsContact N-O 3.11Å
91G97.8Very high95.7Very high0 Ų021 Ų210%012%0.117CC..  trans-172.5177.3176.400000112.5M73 P93 L118 Q527M73-G91 VanDerWaalsContact SD-C 3.58Å; M73-G91 VanDerWaalsContact SD-O 3.32Å; G91-P93 VanDerWaalsContact O-CD 3.29Å; G91-P93 WeakPolarHBondContact O-CD 3.45Å; G91-P93 VanDerWaalsContact O-N 3.16Å; G91-L118 CarbonylContact C-O 3.43Å; G91-L118 WeakPolarHBondContact CA-O 3.35Å; G91-Q527 VanDerWaalsContact O-CG 3.26Å; G91-Q527 WeakPolarHBondContact O-CG 3.47Å; G91-Q527 PolarHBondContact O-OE1 2.83Å
92L98.5Very high96Very high0 Ų020.8 Ų20.80%012%0.117CC..SBendtrans-59.7117.4177.2177.968.3000108.9A60 T64 T94 E96 T98 W116 L118 Y130 H135A60-L92 HydrophobicContact CB-CD1 4.15Å; T64-L92 HydrophobicContact CG2-CD1 4Å; L92-T94 PolarHBondContact O-N 2.83Å; L92-E96 HydrophobicContact CD1-CB 4.17Å; L92-E96 HydrophobicContact CD1-CG 4.41Å; L92-E96 HydrophobicContact CG-CB 4.43Å; L92-T98 HydrophobicContact CD2-CG2 3.78Å; L92-W116 HydrophobicContact CD2-CH2 4.29Å; L92-W116 HydrophobicContact CD2-CZ2 4.46Å; L92-L118 HydrophobicContact CB-CB 4Å; L92-L118 HydrophobicContact CD2-CD1 4.34Å; L92-L118 PolarHBondContact N-O 2.82Å; L92-Y130 WeakPolarHBondContact O-CD1 3.42Å; L92-Y130 WeakPolarHBondContact O-CE1 3.29Å; L92-H135 PolarHBondContact O-CE1 3.48Å; L92-H135 VanDerWaalsContact O-CE1 3.25Å; L92-H135 PolarHBondContact O-NE2 2.85Å
93P98.2Very high96.2Very high13 Ų1320.2 Ų20.28%0.08411%0.113CC..  trans-54139.1-175-28.736.2000113.1S71 G91 N95 E96 Q527S71-P93 WeakPolarHBondContact O-CG 3.29Å; G91-P93 VanDerWaalsContact O-CD 3.29Å; G91-P93 WeakPolarHBondContact O-CD 3.45Å; G91-P93 VanDerWaalsContact O-N 3.16Å; P93-N95 WeakPolarHBondContact CB-OD1 3.42Å; P93-N95 PolarHBondContact O-N 2.84Å; P93-N95 VanDerWaalsContact O-N 3.17Å; P93-E96 HydrophobicContact CB-CG 4.27Å; P93-E96 WeakPolarHBondContact O-CB 3.46Å; P93-E96 PolarHBondContact O-N 2.92Å; P93-Q527 HydrophobicContact CG-CG 3.93Å
94T96.9Very high96.4Very high99 Ų9921.7 Ų21.761%0.60712%0.119SC*.THydrogen-bonded Turntrans-66-18.4-177.354.50000113.6L92 E96 C129 Y130L92-T94 PolarHBondContact O-N 2.83Å; T94-E96 VanDerWaalsContact C-N 3.33Å; T94-C129 HydrophobicContact CG2-CB 4.36Å; T94-Y130 HydrophobicContact CG2-CD1 4.48Å; T94-Y130 HydrophobicContact CG2-CE1 4.46Å
95N96.3Very high96.8Very high106 Ų10627 Ų2757%0.56714%0.142SC*.THydrogen-bonded Turntrans-82-7.9173.169.4-26.1000113.2P93 R400P93-N95 WeakPolarHBondContact CB-OD1 3.42Å; P93-N95 PolarHBondContact O-N 2.84Å; P93-N95 VanDerWaalsContact O-N 3.17Å; N95-R400 PolarHBondContact O-NH1 3.05Å; N95-R400 PolarHBondContact O-NH2 3.37Å; N95-R400 VanDerWaalsContact O-NH2 3.15Å
96E98.1Very high97Very high13 Ų1331 Ų316%0.06116%0.157CC..  trans-80.2134.9173.8-72.3-65.7177.900111.5T64 R66 S71 L92 P93 T94 R400T64-E96 HydrophobicContact CG2-CB 3.94Å; T64-E96 HydrophobicContact CG2-CG 4.41Å; R66-E96 IonicContact CZ-OE1 2.8Å; R66-E96 IonicContact CZ-OE2 2.87Å; R66-E96 IonicContact NE-OE1 3.62Å; R66-E96 PolarHBondContact NE-OE1 3.28Å; R66-E96 IonicContact NE-OE2 3.7Å; R66-E96 PolarHBondContact NE-OE2 3.45Å; R66-E96 VanDerWaalsContact NE-OE2 3.14Å; R66-E96 IonicContact NH2-OE1 2.77Å; R66-E96 PolarHBondContact NH2-OE1 3.24Å; S71-E96 WeakPolarHBondContact CB-OE1 3.47Å; L92-E96 HydrophobicContact CD1-CB 4.17Å; L92-E96 HydrophobicContact CD1-CG 4.41Å; L92-E96 HydrophobicContact CG-CB 4.43Å; P93-E96 HydrophobicContact CB-CG 4.27Å; P93-E96 WeakPolarHBondContact O-CB 3.46Å; P93-E96 PolarHBondContact O-N 2.92Å; T94-E96 VanDerWaalsContact C-N 3.33Å; E96-R400 IonicContact OE2-NH1 2.75Å; E96-R400 PolarHBondContact OE2-NH1 2.73Å
97T98Very high97.1Very high39 Ų3932.7 Ų32.724%0.23918%0.177CC..  trans-101115-179-59.20000109.5K101 L102 Y385 P397T97-K101 HydrophobicContact CG2-CB 4.24Å; T97-K101 HydrophobicContact CG2-CG 4.38Å; T97-L102 HydrophobicContact CG2-CD2 3.66Å; T97-L102 HydrophobicContact CG2-CG 4.07Å; T97-Y385 WeakPolarHBondContact O-CE2 3.43Å; T97-Y385 PolarHBondContact O-OH 3.41Å; T97-P397 HydrophobicContact CG2-CG 4.46Å
98T98.7Very high97.4Very high0 Ų032.7 Ų32.70%018%0.177CC..  trans-82.6160.4179.367.60000112.6L63 L92 A100 K101 L102 H135L63-T98 HydrophobicContact CB-CG2 4.07Å; L63-T98 HydrophobicContact CD2-CG2 4.31Å; L63-T98 CarbonylContact O-C 3.57Å; L63-T98 WeakPolarHBondContact O-CA 3.15Å; L92-T98 HydrophobicContact CD2-CG2 3.78Å; T98-A100 PolarHBondContact O-N 2.96Å; T98-A100 PolarHBondContact OG1-N 2.83Å; T98-K101 WeakPolarHBondContact O-CB 3.13Å; T98-K101 PolarHBondContact O-N 2.83Å; T98-K101 VanDerWaalsContact O-N 3.08Å; T98-K101 PolarHBondContact OG1-N 3.1Å; T98-L102 PolarHBondContact O-N 3.49Å; T98-L102 VanDerWaalsContact O-N 3.07Å; T98-H135 HydrophobicContact CG2-CB 3.92Å; T98-H135 PolarHBondContact OG1-O 3.26Å
99F98.6Very high97.5Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-60.1-30.8171.958.8-112.4000111.5L11 F62 L63 K101 L102 L103 F137 L262 F264 I384 Y385 L388L11-F99 HydrophobicContact CD1-CD2 4.38Å; L11-F99 HydrophobicContact CD1-CE1 4.27Å; L11-F99 HydrophobicContact CD1-CE2 3.54Å; L11-F99 HydrophobicContact CD1-CZ 3.48Å; L11-F99 VanDerWaalsContact CD1-CZ 3.48Å; F62-F99 AromaticContact CD1-CE1 3.7Å; F62-F99 HydrophobicContact CD1-CE1 3.7Å; F62-F99 HydrophobicContact CD1-CZ 4.06Å; F62-F99 AromaticContact CE1-CE1 3.6Å; F62-F99 HydrophobicContact CE1-CE1 3.6Å; F62-F99 AromaticContact CE1-CZ 3.62Å; F62-F99 HydrophobicContact CE1-CZ 3.62Å; F62-F99 HydrophobicContact CG-CE1 4.4Å; F62-F99 HydrophobicContact CZ-CE1 4.22Å; F62-F99 HydrophobicContact CZ-CZ 4.36Å; F62-F99 WeakPolarHBondContact O-CD1 3.33Å; F62-F99 WeakPolarHBondContact O-CE1 3.48Å; L63-F99 HydrophobicContact CB-CE1 4.37Å; L63-F99 HydrophobicContact CD2-CD1 4.27Å; L63-F99 HydrophobicContact CD2-CE1 3.67Å; L63-F99 HydrophobicContact CD2-CE2 4.04Å; L63-F99 HydrophobicContact CD2-CZ 3.5Å; L63-F99 HydrophobicContact CG-CE1 4.03Å; L63-F99 HydrophobicContact CG-CZ 4.24Å; L63-F99 PolarHBondContact O-N 3.35Å; F99-K101 VanDerWaalsContact C-N 3.34Å; F99-L102 PolarHBondContact O-N 3.09Å; F99-L103 WeakPolarHBondContact O-CB 3.48Å; F99-L103 VanDerWaalsContact O-CG 3.31Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 3.41Å; F99-F137 HydrophobicContact CE2-CZ 4.46Å; F99-L262 HydrophobicContact CD2-CD2 3.95Å; F99-L262 HydrophobicContact CE2-CD1 4.34Å; F99-L262 HydrophobicContact CE2-CD2 3.86Å; F99-F264 HydrophobicContact CZ-CD1 4.4Å; F99-I384 HydrophobicContact CD1-CG2 4.08Å; F99-I384 HydrophobicContact CE1-CG2 4.07Å; F99-Y385 HydrophobicContact CB-CD2 3.76Å; F99-Y385 HydrophobicContact CB-CE2 4.29Å; F99-Y385 HydrophobicContact CD1-CD2 4.46Å; F99-Y385 VanDerWaalsContact N-CE2 3.34Å; F99-L388 HydrophobicContact CB-CB 4.5Å; F99-L388 HydrophobicContact CB-CD1 4.24Å; F99-L388 HydrophobicContact CD1-CD1 4.43Å; F99-L388 HydrophobicContact CD2-CD1 3.82Å; F99-L388 HydrophobicContact CE2-CD1 4.31Å; F99-L388 HydrophobicContact CG-CD1 3.93Å
100A98.6Very high97.7Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-64.7-41.3176.100000110.6T98 L103 Q104 F137 L262T98-A100 PolarHBondContact O-N 2.96Å; T98-A100 PolarHBondContact OG1-N 2.83Å; A100-L103 PolarHBondContact O-N 2.97Å; A100-Q104 VanDerWaalsContact O-CB 3.25Å; A100-Q104 WeakPolarHBondContact O-CB 3.45Å; A100-Q104 PolarHBondContact O-N 2.8Å; A100-F137 HydrophobicContact CB-CD1 4.04Å; A100-F137 HydrophobicContact CB-CD2 4.03Å; A100-F137 HydrophobicContact CB-CE1 3.68Å; A100-F137 HydrophobicContact CB-CE2 3.67Å; A100-F137 HydrophobicContact CB-CG 4.21Å; A100-F137 HydrophobicContact CB-CZ 3.49Å; A100-F137 VanDerWaalsContact CB-CZ 3.49Å; A100-L262 HydrophobicContact CB-CD2 3.9Å
101K98.3Very high97.8Very high68 Ų6837 Ų3730%0.29619%0.189SC..Hα-helixtrans-63.3-43.8174.4-166.266.6178.1176.10111.6T97 T98 F99 L103 Q104 H105T97-K101 HydrophobicContact CG2-CB 4.24Å; T97-K101 HydrophobicContact CG2-CG 4.38Å; T98-K101 WeakPolarHBondContact O-CB 3.13Å; T98-K101 PolarHBondContact O-N 2.83Å; T98-K101 VanDerWaalsContact O-N 3.08Å; T98-K101 PolarHBondContact OG1-N 3.1Å; F99-K101 VanDerWaalsContact C-N 3.34Å; K101-L103 PolarHBondContact O-N 3.21Å; K101-Q104 PolarHBondContact O-N 3.5Å; K101-H105 VanDerWaalsContact CE-NE2 3.34Å; K101-H105 WeakPolarHBondContact CE-NE2 3.44Å; K101-H105 PolarHBondContact O-CD2 3.04Å; K101-H105 PolarHBondContact O-N 3.35Å
102L97.5Very high97.8Very high15 Ų1537 Ų378%0.07919%0.189CC..Hα-helixtrans-59-45.7176.2-65.3-175.6000112.1T97 T98 F99 H105 R106 Y385 I395 L396T97-L102 HydrophobicContact CG2-CD2 3.66Å; T97-L102 HydrophobicContact CG2-CG 4.07Å; T98-L102 PolarHBondContact O-N 3.49Å; T98-L102 VanDerWaalsContact O-N 3.07Å; F99-L102 PolarHBondContact O-N 3.09Å; L102-H105 PolarHBondContact O-N 3.45Å; L102-R106 PolarHBondContact O-N 3.14Å; L102-Y385 HydrophobicContact CD1-CE1 4Å; L102-Y385 HydrophobicContact CD1-CE2 3.85Å; L102-Y385 HydrophobicContact CG-CE2 4.47Å; L102-I395 WeakPolarHBondContact CD2-O 3.17Å; L102-L396 HydrophobicContact CD1-CD2 4.25Å
103L97.9Very high97.8Very high1 Ų137 Ų371%0.00519%0.189CC..Hα-helixtrans-71.3-38.9179.8-68.6169.7000111.9I9 F99 A100 K101 H105 R106 G107 Y108 T110 L262 L388I9-L103 HydrophobicContact CD1-CD1 3.68Å; I9-L103 HydrophobicContact CD1-CD2 3.97Å; F99-L103 WeakPolarHBondContact O-CB 3.48Å; F99-L103 VanDerWaalsContact O-CG 3.31Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 3.41Å; A100-L103 PolarHBondContact O-N 2.97Å; K101-L103 PolarHBondContact O-N 3.21Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.47Å; L103-R106 CarbonylContact O-C 3.45Å; L103-R106 VanDerWaalsContact O-C 3.31Å; L103-R106 WeakPolarHBondContact O-CA 3.33Å; L103-R106 WeakPolarHBondContact O-CB 3.28Å; L103-R106 PolarHBondContact O-N 2.99Å; L103-G107 PolarHBondContact O-N 2.74Å; L103-Y108 HydrophobicContact CB-CD1 4.5Å; L103-Y108 HydrophobicContact CB-CD2 4.05Å; L103-Y108 HydrophobicContact CB-CG 3.91Å; L103-Y108 HydrophobicContact CD2-CD1 4.45Å; L103-Y108 HydrophobicContact CD2-CD2 3.88Å; L103-Y108 HydrophobicContact CD2-CE1 4.34Å; L103-Y108 HydrophobicContact CD2-CE2 3.74Å; L103-Y108 HydrophobicContact CD2-CG 4.24Å; L103-Y108 WeakPolarHBondContact O-CB 3.27Å; L103-Y108 WeakPolarHBondContact O-CD2 3.36Å; L103-Y108 PolarHBondContact O-N 3.45Å; L103-T110 HydrophobicContact CB-CG2 4.45Å; L103-L262 HydrophobicContact CD1-CB 4.27Å; L103-L262 HydrophobicContact CD1-CD1 4.35Å; L103-L262 HydrophobicContact CD1-CD2 3.97Å; L103-L262 HydrophobicContact CD1-CG 4.42Å; L103-L388 HydrophobicContact CD1-CB 4.34Å; L103-L388 HydrophobicContact CD1-CD1 4.3Å
104Q97.1Very high97.8Very high40 Ų4036.4 Ų36.419%0.18719%0.185CC..Hα-helixtrans-55.3-45.4172.5167.9176.282.700111A100 K101 R106 G107 T110 H138A100-Q104 VanDerWaalsContact O-CB 3.25Å; A100-Q104 WeakPolarHBondContact O-CB 3.45Å; A100-Q104 PolarHBondContact O-N 2.8Å; K101-Q104 PolarHBondContact O-N 3.5Å; Q104-R106 PolarHBondContact O-N 3.32Å; Q104-G107 PolarHBondContact O-N 2.87Å; Q104-T110 HydrophobicContact CB-CG2 4.32Å; Q104-H138 PolarHBondContact NE2-CD2 2.84Å; Q104-H138 PolarHBondContact NE2-CE1 2.93Å; Q104-H138 VanDerWaalsContact NE2-CE1 3.33Å; Q104-H138 PolarHBondContact NE2-NE2 3.05Å; Q104-H138 VanDerWaalsContact NE2-NE2 3.11Å
105H96.3Very high97.9Very high133 Ų13331.8 Ų31.862%0.61616%0.156SC*.Hα-helixtrans-63.9-19175.1-74.6-60.3000113.9K101 L102 L103K101-H105 VanDerWaalsContact CE-NE2 3.34Å; K101-H105 WeakPolarHBondContact CE-NE2 3.44Å; K101-H105 PolarHBondContact O-CD2 3.04Å; K101-H105 PolarHBondContact O-N 3.35Å; L102-H105 PolarHBondContact O-N 3.45Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.47Å
106R96.1Very high98Very high99 Ų9926.9 Ų26.937%0.37413%0.13SC..THydrogen-bonded Turntrans-96.917.4173-62.5-56.8-169.3179.64.2113.1R6 L102 L103 Q104 Y108 G392 G393 I395R6-R106 PolarHBondContact NH2-O 2.89Å; L102-R106 PolarHBondContact O-N 3.14Å; L103-R106 CarbonylContact O-C 3.45Å; L103-R106 VanDerWaalsContact O-C 3.31Å; L103-R106 WeakPolarHBondContact O-CA 3.33Å; L103-R106 WeakPolarHBondContact O-CB 3.28Å; L103-R106 PolarHBondContact O-N 2.99Å; Q104-R106 PolarHBondContact O-N 3.32Å; R106-Y108 VanDerWaalsContact C-N 3.34Å; R106-Y108 HydrophobicContact CB-CD2 4.25Å; R106-Y108 PolarHBondContact O-N 2.85Å; R106-G392 WeakPolarHBondContact CB-O 3.42Å; R106-G393 PolarHBondContact NE-O 2.82Å; R106-G393 PolarHBondContact NH2-O 2.89Å; R106-I395 VanDerWaalsContact NH2-CD1 3.33Å
107G96.1Very high98Very high43 Ų4326.8 Ų26.844%0.44313%0.129SC..THydrogen-bonded Turntrans73.423.5173.800000114.2L103 Q104L103-G107 PolarHBondContact O-N 2.74Å; Q104-G107 PolarHBondContact O-N 2.87Å
108Y98.2Very high98Very high1 Ų124.9 Ų24.90%0.00412%0.118CC..  trans-76.8143170-82.8-109.3000111.4R6 P7 I9 L103 R106 H138 P260R6-Y108 VanDerWaalsContact C-OH 3.23Å; R6-Y108 WeakPolarHBondContact CA-OH 3.48Å; P7-Y108 WeakPolarHBondContact O-CE1 3.41Å; P7-Y108 PolarHBondContact O-OH 3Å; I9-Y108 HydrophobicContact CD1-CD1 4.46Å; I9-Y108 HydrophobicContact CD1-CE1 3.72Å; I9-Y108 HydrophobicContact CG1-CE1 4.29Å; L103-Y108 HydrophobicContact CB-CD1 4.5Å; L103-Y108 HydrophobicContact CB-CD2 4.05Å; L103-Y108 HydrophobicContact CB-CG 3.91Å; L103-Y108 HydrophobicContact CD2-CD1 4.45Å; L103-Y108 HydrophobicContact CD2-CD2 3.88Å; L103-Y108 HydrophobicContact CD2-CE1 4.34Å; L103-Y108 HydrophobicContact CD2-CE2 3.74Å; L103-Y108 HydrophobicContact CD2-CG 4.24Å; L103-Y108 WeakPolarHBondContact O-CB 3.27Å; L103-Y108 WeakPolarHBondContact O-CD2 3.36Å; L103-Y108 PolarHBondContact O-N 3.45Å; R106-Y108 VanDerWaalsContact C-N 3.34Å; R106-Y108 HydrophobicContact CB-CD2 4.25Å; R106-Y108 PolarHBondContact O-N 2.85Å; Y108-H138 PolarHBondContact O-CE1 3.4Å; Y108-H138 VanDerWaalsContact O-CE1 3.25Å; Y108-P260 VanDerWaalsContact CA-O 3.29Å; Y108-P260 WeakPolarHBondContact CA-O 3.39Å; Y108-P260 HydrophobicContact CD1-CB 4.08Å; Y108-P260 HydrophobicContact CE1-CB 3.87Å; Y108-P260 HydrophobicContact CE2-CB 4.4Å; Y108-P260 HydrophobicContact CG-CB 4.43Å
109R98.5Very high97.9Very high108 Ų10825.4 Ų25.441%0.40812%0.123SC..EExtended strand (participates in β ladder)trans-79.2119.5161.5-64.2-60.5-176.3170.35109.4V256 E259 P260 F261 L262R109-V256 HydrophobicContact CB-CB 4.21Å; R109-V256 HydrophobicContact CB-CG1 4.04Å; R109-V256 HydrophobicContact CG-CB 4.41Å; R109-V256 HydrophobicContact CG-CG1 4.23Å; R109-E259 HydrophobicContact CG-CB 4.24Å; R109-E259 VanDerWaalsContact CG-OE2 3.25Å; R109-E259 WeakPolarHBondContact CG-OE2 3.4Å; R109-E259 IonicContact CZ-OE1 3.88Å; R109-E259 IonicContact CZ-OE2 3.47Å; R109-E259 IonicContact NE-OE1 3.26Å; R109-E259 IonicContact NE-OE2 2.72Å; R109-E259 PolarHBondContact NE-OE2 2.82Å; R109-E259 IonicContact NH2-OE1 3.19Å; R109-E259 PolarHBondContact NH2-OE1 3.19Å; R109-E259 IonicContact NH2-OE2 3.38Å; R109-E259 PolarHBondContact NH2-OE2 3.06Å; R109-P260 PolarHBondContact N-O 3.14Å; R109-F261 HydrophobicContact CB-CB 4.2Å; R109-F261 CarbonylContact O-C 3.55Å; R109-F261 WeakPolarHBondContact O-CA 3.38Å; R109-F261 WeakPolarHBondContact O-CB 3.39Å; R109-L262 PolarHBondContact O-N 2.93Å
110T98.8Very high97.9Very high0 Ų025.5 Ų25.50%012%0.124CC..EExtended strand (participates in β ladder)trans-114.9121.4-171.1540000110L103 Q104 G136 F137 H138 Y139 L262L103-T110 HydrophobicContact CB-CG2 4.45Å; Q104-T110 HydrophobicContact CB-CG2 4.32Å; T110-G136 WeakPolarHBondContact CB-O 3.42Å; T110-G136 PolarHBondContact OG1-O 3.13Å; T110-F137 VanDerWaalsContact OG1-CA 3.32Å; T110-F137 WeakPolarHBondContact OG1-CA 3.45Å; T110-H138 PolarHBondContact N-ND1 2.89Å; T110-H138 PolarHBondContact O-N 3.01Å; T110-H138 PolarHBondContact OG1-N 2.76Å; T110-H138 PolarHBondContact OG1-ND1 2.92Å; T110-Y139 PolarHBondContact O-N 3.17Å; T110-Y139 VanDerWaalsContact O-N 3.12Å; T110-L262 CarbonylContact C-O 3.57Å; T110-L262 WeakPolarHBondContact CA-O 3.32Å; T110-L262 HydrophobicContact CG2-CB 4.06Å; T110-L262 HydrophobicContact CG2-CD2 4Å
111G98.8Very high97.8Very high0 Ų025.5 Ų25.50%012%0.124CC..EExtended strand (participates in β ladder)trans-125.9134.2178.300000111.5Y139 L262 F264G111-Y139 WeakPolarHBondContact CA-O 3.26Å; G111-L262 PolarHBondContact N-O 3.39Å; G111-F264 PolarHBondContact O-N 3.27Å
112L98.9Very high97.7Very high0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-110.1126.5168.3171.462.2000109.1W116 P132 F137 Y139 F140 Y141 F264L112-W116 HydrophobicContact CD2-CB 4.3Å; L112-W116 HydrophobicContact CD2-CD2 4.24Å; L112-W116 HydrophobicContact CD2-CE3 3.53Å; L112-W116 HydrophobicContact CD2-CZ3 4.18Å; L112-P132 HydrophobicContact CD2-CB 3.76Å; L112-P132 HydrophobicContact CD2-CG 3.65Å; L112-F137 HydrophobicContact CB-CD1 3.72Å; L112-F137 HydrophobicContact CB-CD2 4.22Å; L112-F137 HydrophobicContact CB-CE1 3.9Å; L112-F137 HydrophobicContact CB-CE2 4.38Å; L112-F137 HydrophobicContact CB-CG 3.88Å; L112-F137 HydrophobicContact CB-CZ 4.24Å; L112-F137 HydrophobicContact CD2-CE2 4.46Å; L112-Y139 PolarHBondContact N-O 3.11Å; L112-F140 HydrophobicContact CB-CD2 4.05Å; L112-F140 HydrophobicContact CD2-CD2 3.75Å; L112-F140 HydrophobicContact CD2-CE2 3.84Å; L112-F140 HydrophobicContact CG-CD2 3.76Å; L112-F140 HydrophobicContact CG-CE2 4.01Å; L112-F140 WeakPolarHBondContact O-CA 3.48Å; L112-Y141 PolarHBondContact O-N 3.16Å; L112-F264 WeakPolarHBondContact CA-O 3.16Å; L112-F264 HydrophobicContact CD1-CB 4.1Å; L112-F264 HydrophobicContact CD1-CD1 3.44Å; L112-F264 VanDerWaalsContact CD1-CD1 3.44Å; L112-F264 HydrophobicContact CD1-CE1 3.94Å; L112-F264 HydrophobicContact CD1-CG 3.82Å; L112-F264 WeakPolarHBondContact CD1-O 3.37Å
113I98.9Very high97.6Very high0 Ų027.2 Ų27.20%015%0.15CC..EExtended strand (participates in β ladder)trans-124.6122.3176.1-59.8178.2000109.4Y141 M245 E248 A249 F252 L263 F264 F265 S266I113-Y141 CarbonylContact C-O 3.55Å; I113-Y141 WeakPolarHBondContact CA-O 3.41Å; I113-Y141 HydrophobicContact CG2-CD1 4.46Å; I113-M245 HydrophobicContact CG2-CB 3.93Å; I113-M245 HydrophobicContact CG2-CG 4.17Å; I113-M245 WeakPolarHBondContact CG2-O 3.39Å; I113-E248 VanDerWaalsContact CD1-C 3.48Å; I113-E248 HydrophobicContact CD1-CB 4.13Å; I113-A249 HydrophobicContact CD1-CB 3.71Å; I113-A249 VanDerWaalsContact CD1-N 3.32Å; I113-F252 HydrophobicContact CD1-CB 4.29Å; I113-L263 HydrophobicContact CD1-CD1 3.79Å; I113-L263 HydrophobicContact CG1-CD1 4.17Å; I113-F264 PolarHBondContact N-O 3.19Å; I113-F265 HydrophobicContact CB-CD2 4.02Å; I113-F265 HydrophobicContact CB-CE2 4.3Å; I113-F265 HydrophobicContact CG2-CD2 3.94Å; I113-F265 HydrophobicContact CG2-CE2 3.69Å; I113-F265 HydrophobicContact CG2-CZ 4.44Å; I113-S266 PolarHBondContact O-N 3.36Å
114G98.3Very high97.5Very high0 Ų029.9 Ų29.90%017%0.168CC..EExtended strand (participates in β ladder)trans104.3-134.7178.600000114.9Y141 G142 V143 S266G114-Y141 PolarHBondContact N-O 3.26Å; G114-G142 CarbonylContact O-C 3.32Å; G114-G142 WeakPolarHBondContact O-CA 3.39Å; G114-V143 PolarHBondContact O-N 3.17Å; G114-S266 CarbonylContact C-O 3.53Å; G114-S266 VanDerWaalsContact CA-O 3.24Å; G114-S266 WeakPolarHBondContact CA-O 3.23Å
115K98.5Very high97.3Very high2 Ų231.1 Ų31.11%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-76.6131-170.5177.4174.6178-178.60113D15 C55 R59 H117 V143 F145 S266 L268D15-K115 IonicContact OD1-NZ 3.06Å; D15-K115 PolarHBondContact OD1-NZ 2.97Å; D15-K115 WeakPolarHBondContact OD2-CD 3.37Å; D15-K115 WeakPolarHBondContact OD2-CE 3.45Å; D15-K115 IonicContact OD2-NZ 3.32Å; D15-K115 PolarHBondContact OD2-NZ 2.87Å; C55-K115 PolarHBondContact SG-NZ 3.01Å; R59-K115 PolarHBondContact NH1-O 3.12Å; K115-H117 HydrophobicContact CD-CB 4.38Å; K115-H117 WeakPolarHBondContact CE-ND1 3.43Å; K115-H117 HydrophobicContact CG-CB 4.01Å; K115-V143 HydrophobicContact CB-CG2 4.18Å; K115-F145 WeakPolarHBondContact CG-O 3.19Å; K115-S266 PolarHBondContact N-O 3.39Å; K115-S266 VanDerWaalsContact O-CB 3.26Å; K115-S266 WeakPolarHBondContact O-CB 3.48Å; K115-S266 PolarHBondContact O-OG 2.85Å; K115-S266 VanDerWaalsContact O-OG 3.09Å; K115-L268 HydrophobicContact CB-CD2 3.83Å
116W98.2Very high97.1Very high2 Ų230.8 Ų30.81%0.00817%0.174CC..  trans-96.4-64.5170.5177.6-129.5000112.4L63 L92 L112 L118 G119 Y130 P132 H135 F137 F140 V143L63-W116 HydrophobicContact CD1-CE3 4.3Å; L63-W116 HydrophobicContact CD1-CH2 3.75Å; L63-W116 HydrophobicContact CD1-CZ3 3.37Å; L63-W116 HydrophobicContact CD2-CZ3 4.4Å; L92-W116 HydrophobicContact CD2-CH2 4.29Å; L92-W116 HydrophobicContact CD2-CZ2 4.46Å; L112-W116 HydrophobicContact CD2-CB 4.3Å; L112-W116 HydrophobicContact CD2-CD2 4.24Å; L112-W116 HydrophobicContact CD2-CE3 3.53Å; L112-W116 HydrophobicContact CD2-CZ3 4.18Å; W116-L118 HydrophobicContact CD2-CB 4.02Å; W116-L118 HydrophobicContact CD2-CD1 4.16Å; W116-L118 HydrophobicContact CD2-CG 4.41Å; W116-L118 HydrophobicContact CE3-CD1 3.96Å; W116-L118 HydrophobicContact CG-CB 4.42Å; W116-L118 HydrophobicContact CH2-CB 4.43Å; W116-L118 HydrophobicContact CH2-CD1 3.63Å; W116-L118 HydrophobicContact CZ2-CB 3.75Å; W116-L118 HydrophobicContact CZ2-CD1 3.83Å; W116-L118 HydrophobicContact CZ2-CG 4.41Å; W116-L118 HydrophobicContact CZ3-CD1 3.72Å; W116-L118 PolarHBondContact O-N 3.34Å; W116-G119 VanDerWaalsContact CD1-O 3.25Å; W116-G119 PolarHBondContact NE1-O 3.4Å; W116-Y130 PolarHBondContact NE1-O 3.4Å; W116-P132 HydrophobicContact CB-CG 4.11Å; W116-P132 HydrophobicContact CD2-CB 4.44Å; W116-P132 HydrophobicContact CD2-CG 3.63Å; W116-P132 HydrophobicContact CE3-CB 4.47Å; W116-P132 HydrophobicContact CE3-CG 4.03Å; W116-P132 HydrophobicContact CG-CG 3.67Å; W116-H135 HydrophobicContact CH2-CB 4.03Å; W116-H135 HydrophobicContact CZ2-CB 4.26Å; W116-H135 AromaticContact CZ2-CD2 3.86Å; W116-F137 HydrophobicContact CZ3-CE2 4.06Å; W116-F140 HydrophobicContact CB-CZ 4.49Å; W116-V143 PolarHBondContact N-O 2.77Å
117H97.7Very high97.1Very high11 Ų1128.5 Ų28.55%0.05117%0.169CC..  trans62.229.4177.4-150.9-177.1000116.6C55 T56 L83 K115 P144 F145C55-H117 WeakPolarHBondContact CB-ND1 3.21Å; T56-H117 VanDerWaalsContact CG2-O 3.28Å; T56-H117 WeakPolarHBondContact CG2-O 3.31Å; T56-H117 PolarHBondContact OG1-CD2 2.92Å; T56-H117 VanDerWaalsContact OG1-CD2 3.27Å; T56-H117 PolarHBondContact OG1-CE1 3.3Å; T56-H117 PolarHBondContact OG1-ND1 2.87Å; T56-H117 PolarHBondContact OG1-NE2 2.92Å; T56-H117 PolarHBondContact OG1-O 3.49Å; L83-H117 PolarHBondContact O-NE2 3Å; L83-H117 VanDerWaalsContact O-NE2 3.11Å; K115-H117 HydrophobicContact CD-CB 4.38Å; K115-H117 WeakPolarHBondContact CE-ND1 3.43Å; K115-H117 HydrophobicContact CG-CB 4.01Å; H117-P144 WeakPolarHBondContact CA-O 3.01Å; H117-P144 PolarHBondContact N-O 3.07Å; H117-F145 VanDerWaalsContact CA-O 3.29Å; H117-F145 WeakPolarHBondContact CA-O 3.26Å; H117-F145 WeakPolarHBondContact CB-O 3.06Å; H117-F145 AromaticContact CD2-CD2 3.89Å; H117-F145 AromaticContact CD2-CE2 3.97Å; H117-F145 VanDerWaalsContact CG-O 3.22Å; H117-F145 PolarHBondContact N-O 2.93Å; H117-F145 AromaticContact NE2-CD2 3.98Å; H117-F145 AromaticContact NE2-CE2 3.58Å
118L98.1Very high97.2Very high0 Ų027.3 Ų27.30%015%0.152CC..SBendtrans-127.831.9-177-64.9168.5000113T56 R59 A60 L63 M73 G91 L92 W116T56-L118 HydrophobicContact CG2-CD2 4.01Å; T56-L118 WeakPolarHBondContact O-CD2 3.45Å; R59-L118 HydrophobicContact CB-CD1 4.28Å; R59-L118 HydrophobicContact CB-CD2 4.25Å; R59-L118 HydrophobicContact CB-CG 4.38Å; A60-L118 HydrophobicContact CB-CD2 3.74Å; L63-L118 HydrophobicContact CD1-CD1 3.26Å; M73-L118 HydrophobicContact CE-CD2 3.46Å; M73-L118 VanDerWaalsContact CE-CD2 3.46Å; G91-L118 CarbonylContact C-O 3.43Å; G91-L118 WeakPolarHBondContact CA-O 3.35Å; L92-L118 HydrophobicContact CB-CB 4Å; L92-L118 HydrophobicContact CD2-CD1 4.34Å; L92-L118 PolarHBondContact N-O 2.82Å; W116-L118 HydrophobicContact CD2-CB 4.02Å; W116-L118 HydrophobicContact CD2-CD1 4.16Å; W116-L118 HydrophobicContact CD2-CG 4.41Å; W116-L118 HydrophobicContact CE3-CD1 3.96Å; W116-L118 HydrophobicContact CG-CB 4.42Å; W116-L118 HydrophobicContact CH2-CB 4.43Å; W116-L118 HydrophobicContact CH2-CD1 3.63Å; W116-L118 HydrophobicContact CZ2-CB 3.75Å; W116-L118 HydrophobicContact CZ2-CD1 3.83Å; W116-L118 HydrophobicContact CZ2-CG 4.41Å; W116-L118 HydrophobicContact CZ3-CD1 3.72Å; W116-L118 PolarHBondContact O-N 3.34Å
119G97.3Very high97.1Very high11 Ų1128.1 Ų28.111%0.11316%0.158CC..  trans88.9170.8-179.100000112.6L83 G90 W116L83-G119 VanDerWaalsContact CD1-N 3.25Å; G90-G119 WeakPolarHBondContact O-CA 3.42Å; W116-G119 VanDerWaalsContact CD1-O 3.25Å; W116-G119 PolarHBondContact NE1-O 3.4Å
120L97.5Very high97.1Very high2 Ų224 Ų241%0.0114%0.143CC..SBendtrans-129.2-64.6178.3-178.860.9000110.9L86 H128 C129 Y130 H131 P144 M226 P541L86-L120 HydrophobicContact CD2-CB 4.36Å; L86-L120 HydrophobicContact CD2-CD2 4.42Å; L120-H128 CarbonylContact O-C 3.21Å; L120-H128 WeakPolarHBondContact O-CA 3.47Å; L120-C129 PolarHBondContact O-N 3.03Å; L120-Y130 PolarHBondContact O-N 2.9Å; L120-H131 HydrophobicContact CD1-CB 4.38Å; L120-H131 PolarHBondContact O-N 3.34Å; L120-P144 HydrophobicContact CD1-CB 4.19Å; L120-M226 HydrophobicContact CD1-CE 4.28Å; L120-M226 HydrophobicContact CD1-SD 4.09Å; L120-M226 HydrophobicContact CD2-SD 4.42Å; L120-P541 HydrophobicContact CD2-CB 3.88Å; L120-P541 HydrophobicContact CD2-CG 3.73Å
121S97.3Very high97.1Very high0 Ų024 Ų240%014%0.143CC..  trans-124.5163.5-175.4-57.50000111.4S124 R125 D127 H128S121-S124 VanDerWaalsContact CB-O 3.27Å; S121-S124 WeakPolarHBondContact CB-O 3.42Å; S121-R125 PolarHBondContact OG-O 3.05Å; S121-R125 VanDerWaalsContact OG-O 3.05Å; S121-D127 WeakPolarHBondContact CA-OD1 3.49Å; S121-D127 VanDerWaalsContact CB-OD1 3.27Å; S121-D127 WeakPolarHBondContact CB-OD1 3.47Å; S121-H128 PolarHBondContact OG-CD2 3.4Å
122C95.4Very high97.1Very high43 Ų4324 Ų2429%0.29114%0.143SC..SBendtrans-121.9-51.9179.639.30000114.2S89 D127 C129 Y130S89-C122 WeakPolarHBondContact CB-O 3.19Å; C122-D127 PolarHBondContact N-OD1 3.48Å; C122-C129 HydrophobicContact CB-CB 4.42Å; C122-C129 WeakPolarHBondContact CB-SG 3.46Å; C122-C129 PolarHBondContact N-SG 2.88Å; C122-C129 WeakPolarHBondContact SG-CB 3.32Å; C122-C129 CovalentContact SG-SG 2.02Å; C122-C129 PolarHBondContact SG-SG 3.22Å; C122-Y130 HydrophobicContact CB-CE2 3.77Å
123A95.6Very high97.1Very high76 Ų7625.9 Ų25.963%0.62815%0.152SC*.SBendtrans-108.6-36.5-174.600000112.6D127 L539A123-D127 WeakPolarHBondContact CA-OD2 3.47Å; A123-D127 WeakPolarHBondContact CB-OD2 3.45Å; A123-D127 PolarHBondContact N-OD2 3.12Å; A123-L539 WeakPolarHBondContact O-CD2 3.5Å
124S95.3Very high97Very high56 Ų5629.7 Ų29.739%0.39217%0.173SC..SBendtrans-138.5150177.876.70000111S121 N126 D127S121-S124 VanDerWaalsContact CB-O 3.27Å; S121-S124 WeakPolarHBondContact CB-O 3.42Å; S124-N126 PolarHBondContact O-N 3.26Å; S124-D127 PolarHBondContact N-OD2 3.27Å; S124-D127 PolarHBondContact O-N 2.89Å; S124-D127 VanDerWaalsContact O-N 3.1Å; S124-D127 PolarHBondContact OG-N 3.3Å
125R93.4Very high97Very high66 Ų6630 Ų3025%0.24917%0.174CC..THydrogen-bonded Turntrans-53.4-24.1-179.561.4179.466178.7-5.2115S121 H128 P537 W538S121-R125 PolarHBondContact OG-O 3.05Å; S121-R125 VanDerWaalsContact OG-O 3.05Å; R125-H128 PolarHBondContact O-CD2 2.64Å; R125-H128 PolarHBondContact O-NE2 3.43Å; R125-P537 PolarHBondContact NH2-O 3.49Å; R125-W538 WeakPolarHBondContact CB-O 3.32Å; R125-W538 PolarHBondContact N-O 3.45Å; R125-W538 PolarHBondContact NE-O 3.45Å
126N93.5Very high97Very high127 Ų12729.9 Ų29.968%0.67917%0.173SC*.THydrogen-bonded Turntrans-103-4.7-175.8-63-24000114.1S124 H128S124-N126 PolarHBondContact O-N 3.26Å; N126-H128 VanDerWaalsContact C-N 3.27Å; N126-H128 PolarHBondContact O-N 2.64Å
127D95.9Very high97Very high50 Ų5029.9 Ų29.927%0.26717%0.173SC..THydrogen-bonded Turntrans-71.4-26.5-178.665.529.3000112.7S121 C122 A123 S124 C129S121-D127 WeakPolarHBondContact CA-OD1 3.49Å; S121-D127 VanDerWaalsContact CB-OD1 3.27Å; S121-D127 WeakPolarHBondContact CB-OD1 3.47Å; C122-D127 PolarHBondContact N-OD1 3.48Å; A123-D127 WeakPolarHBondContact CA-OD2 3.47Å; A123-D127 WeakPolarHBondContact CB-OD2 3.45Å; A123-D127 PolarHBondContact N-OD2 3.12Å; S124-D127 PolarHBondContact N-OD2 3.27Å; S124-D127 PolarHBondContact O-N 2.89Å; S124-D127 VanDerWaalsContact O-N 3.1Å; S124-D127 PolarHBondContact OG-N 3.3Å; D127-C129 PolarHBondContact O-N 3.49Å; D127-C129 PolarHBondContact OD1-N 2.79Å
128H96.9Very high97.1Very high18 Ų1833.3 Ų33.38%0.08319%0.19CC..  trans48.932.4176.4-69.1159.6000113L120 S121 R125 N126 Y130 H131 N134 H229L120-H128 CarbonylContact O-C 3.21Å; L120-H128 WeakPolarHBondContact O-CA 3.47Å; S121-H128 PolarHBondContact OG-CD2 3.4Å; R125-H128 PolarHBondContact O-CD2 2.64Å; R125-H128 PolarHBondContact O-NE2 3.43Å; N126-H128 VanDerWaalsContact C-N 3.27Å; N126-H128 PolarHBondContact O-N 2.64Å; H128-Y130 PolarHBondContact O-N 3.27Å; H128-H131 HydrophobicContact CB-CB 3.73Å; H128-H131 WeakPolarHBondContact O-CB 3.3Å; H128-H131 PolarHBondContact O-N 3.39Å; H128-N134 PolarHBondContact O-ND2 3.23Å; H128-H229 PolarHBondContact CE1-O 2.94Å; H128-H229 VanDerWaalsContact CE1-O 3.27Å; H128-H229 AromaticContact CG-ND1 3.59Å; H128-H229 AromaticContact ND1-CG 3.6Å; H128-H229 AromaticContact ND1-ND1 3Å; H128-H229 PolarHBondContact ND1-ND1 3.02Å
129C96.9Very high97.1Very high19 Ų1934.8 Ų34.813%0.12820%0.195CC..THydrogen-bonded Turntrans-62.6-23.7-167.663.10000114.2T94 L120 C122 D127T94-C129 HydrophobicContact CG2-CB 4.36Å; L120-C129 PolarHBondContact O-N 3.03Å; C122-C129 HydrophobicContact CB-CB 4.42Å; C122-C129 WeakPolarHBondContact CB-SG 3.46Å; C122-C129 PolarHBondContact N-SG 2.88Å; C122-C129 WeakPolarHBondContact SG-CB 3.32Å; C122-C129 CovalentContact SG-SG 2.02Å; C122-C129 PolarHBondContact SG-SG 3.22Å; D127-C129 PolarHBondContact O-N 3.49Å; D127-C129 PolarHBondContact OD1-N 2.79Å
130Y98.1Very high97.2Very high22 Ų2234.2 Ų34.29%0.08619%0.19CC..THydrogen-bonded Turntrans-101.35.4176.2-55.5-52000113.6S89 L92 T94 W116 L120 C122 H128 Q527S89-Y130 VanDerWaalsContact O-CE2 3.24Å; S89-Y130 WeakPolarHBondContact O-CE2 3.44Å; S89-Y130 PolarHBondContact O-OH 3.3Å; L92-Y130 WeakPolarHBondContact O-CD1 3.42Å; L92-Y130 WeakPolarHBondContact O-CE1 3.29Å; T94-Y130 HydrophobicContact CG2-CD1 4.48Å; T94-Y130 HydrophobicContact CG2-CE1 4.46Å; W116-Y130 PolarHBondContact NE1-O 3.4Å; L120-Y130 PolarHBondContact O-N 2.9Å; C122-Y130 HydrophobicContact CB-CE2 3.77Å; H128-Y130 PolarHBondContact O-N 3.27Å; Y130-Q527 PolarHBondContact OH-OE1 2.63Å
131H98.5Very high97.2Very high0 Ų034.1 Ų34.10%019%0.189CC..SBendtrans-65.9147.1-178.5-176.6-93.3000111.7L120 H128 L133 N134 H135 F140 N228 H229L120-H131 HydrophobicContact CD1-CB 4.38Å; L120-H131 PolarHBondContact O-N 3.34Å; H128-H131 HydrophobicContact CB-CB 3.73Å; H128-H131 WeakPolarHBondContact O-CB 3.3Å; H128-H131 PolarHBondContact O-N 3.39Å; H131-L133 PolarHBondContact ND1-N 2.89Å; H131-L133 PolarHBondContact O-N 2.82Å; H131-N134 WeakPolarHBondContact O-CB 3.34Å; H131-N134 PolarHBondContact O-N 2.86Å; H131-H135 PolarHBondContact O-CD2 3.22Å; H131-F140 AromaticContact CE1-CD1 3.98Å; H131-F140 AromaticContact NE2-CD1 3.51Å; H131-N228 PolarHBondContact CE1-O 2.82Å; H131-N228 PolarHBondContact NE2-O 3.01Å; H131-H229 AromaticContact CE1-CE1 3.88Å; H131-H229 AromaticContact CE1-ND1 3.72Å; H131-H229 AromaticContact CG-CE1 3.81Å; H131-H229 AromaticContact CG-ND1 3.75Å; H131-H229 AromaticContact ND1-CE1 3.34Å; H131-H229 PolarHBondContact ND1-CE1 2.68Å; H131-H229 VanDerWaalsContact ND1-CE1 3.34Å; H131-H229 AromaticContact ND1-ND1 3.52Å
132P98.6Very high97.2Very high0 Ų034.1 Ų34.10%019%0.189CC..G310 helixtrans-50.7-37-178.1-29.133.3000115L112 W116 N134 H135 G136 F137 F140L112-P132 HydrophobicContact CD2-CB 3.76Å; L112-P132 HydrophobicContact CD2-CG 3.65Å; W116-P132 HydrophobicContact CB-CG 4.11Å; W116-P132 HydrophobicContact CD2-CB 4.44Å; W116-P132 HydrophobicContact CD2-CG 3.63Å; W116-P132 HydrophobicContact CE3-CB 4.47Å; W116-P132 HydrophobicContact CE3-CG 4.03Å; W116-P132 HydrophobicContact CG-CG 3.67Å; P132-N134 PolarHBondContact O-N 2.78Å; P132-H135 CarbonylContact O-C 3.57Å; P132-H135 WeakPolarHBondContact O-CA 3.36Å; P132-H135 PolarHBondContact O-N 3.42Å; P132-G136 PolarHBondContact O-N 3.23Å; P132-F137 HydrophobicContact CB-CB 4.33Å; P132-F137 HydrophobicContact CB-CD2 3.95Å; P132-F137 HydrophobicContact CB-CG 4.45Å; P132-F137 PolarHBondContact O-N 3.45Å; P132-F140 HydrophobicContact CB-CB 4.27Å; P132-F140 HydrophobicContact CB-CD2 4.28Å; P132-F140 HydrophobicContact CB-CG 4.21Å; P132-F140 HydrophobicContact CG-CB 4.47Å; P132-F140 HydrophobicContact CG-CD1 4.15Å; P132-F140 HydrophobicContact CG-CD2 3.85Å; P132-F140 HydrophobicContact CG-CE1 4.32Å; P132-F140 HydrophobicContact CG-CE2 4.06Å; P132-F140 HydrophobicContact CG-CG 3.9Å; P132-F140 HydrophobicContact CG-CZ 4.29Å
133L98.5Very high97.3Very high38 Ų3832.2 Ų32.220%0.19918%0.176CC..G310 helixtrans-63-28.5178.2-89.653000113.5H131 H135 F137 F140 N228H131-L133 PolarHBondContact ND1-N 2.89Å; H131-L133 PolarHBondContact O-N 2.82Å; L133-H135 VanDerWaalsContact C-N 3.25Å; L133-H135 PolarHBondContact O-N 3.44Å; L133-F137 VanDerWaalsContact CA-O 3.29Å; L133-F137 WeakPolarHBondContact CA-O 3.36Å; L133-F137 WeakPolarHBondContact CG-O 3.3Å; L133-F140 HydrophobicContact CD1-CB 3.58Å; L133-N228 HydrophobicContact CD2-CB 3.79Å
134N98.1Very high97.3Very high81 Ų8128.7 Ų28.743%0.43315%0.147SC..G310 helixtrans-81.4-7.5174-70.4-42.2000112.8H128 H131 P132H128-N134 PolarHBondContact O-ND2 3.23Å; H131-N134 WeakPolarHBondContact O-CB 3.34Å; H131-N134 PolarHBondContact O-N 2.86Å; P132-N134 PolarHBondContact O-N 2.78Å
135H98.5Very high96.9Very high5 Ų526.4 Ų26.42%0.02313%0.13CC..G310 helixtrans-115.730.9178.4-69.2-77.9000112.9L92 T98 W116 H131 P132 L133L92-H135 PolarHBondContact O-CE1 3.48Å; L92-H135 VanDerWaalsContact O-CE1 3.25Å; L92-H135 PolarHBondContact O-NE2 2.85Å; T98-H135 HydrophobicContact CG2-CB 3.92Å; T98-H135 PolarHBondContact OG1-O 3.26Å; W116-H135 HydrophobicContact CH2-CB 4.03Å; W116-H135 HydrophobicContact CZ2-CB 4.26Å; W116-H135 AromaticContact CZ2-CD2 3.86Å; H131-H135 PolarHBondContact O-CD2 3.22Å; P132-H135 CarbonylContact O-C 3.57Å; P132-H135 WeakPolarHBondContact O-CA 3.36Å; P132-H135 PolarHBondContact O-N 3.42Å; L133-H135 VanDerWaalsContact C-N 3.25Å; L133-H135 PolarHBondContact O-N 3.44Å
136G98.2Very high96.5Very high0 Ų023.3 Ų23.30%012%0.119CC..THydrogen-bonded Turntrans92.74.6166.300000116T110 P132T110-G136 WeakPolarHBondContact CB-O 3.42Å; T110-G136 PolarHBondContact OG1-O 3.13Å; P132-G136 PolarHBondContact O-N 3.23Å
137F98.8Very high96.1Very high2 Ų217.9 Ų17.91%0.0099%0.09CC..  trans-86.7133.4169.6-65.7-78.7000110.6L63 F99 A100 T110 L112 W116 P132 L133 L262 F264L63-F137 HydrophobicContact CD2-CE2 4.1Å; L63-F137 HydrophobicContact CD2-CZ 4.11Å; F99-F137 HydrophobicContact CE2-CZ 4.46Å; A100-F137 HydrophobicContact CB-CD1 4.04Å; A100-F137 HydrophobicContact CB-CD2 4.03Å; A100-F137 HydrophobicContact CB-CE1 3.68Å; A100-F137 HydrophobicContact CB-CE2 3.67Å; A100-F137 HydrophobicContact CB-CG 4.21Å; A100-F137 HydrophobicContact CB-CZ 3.49Å; A100-F137 VanDerWaalsContact CB-CZ 3.49Å; T110-F137 VanDerWaalsContact OG1-CA 3.32Å; T110-F137 WeakPolarHBondContact OG1-CA 3.45Å; L112-F137 HydrophobicContact CB-CD1 3.72Å; L112-F137 HydrophobicContact CB-CD2 4.22Å; L112-F137 HydrophobicContact CB-CE1 3.9Å; L112-F137 HydrophobicContact CB-CE2 4.38Å; L112-F137 HydrophobicContact CB-CG 3.88Å; L112-F137 HydrophobicContact CB-CZ 4.24Å; L112-F137 HydrophobicContact CD2-CE2 4.46Å; W116-F137 HydrophobicContact CZ3-CE2 4.06Å; P132-F137 HydrophobicContact CB-CB 4.33Å; P132-F137 HydrophobicContact CB-CD2 3.95Å; P132-F137 HydrophobicContact CB-CG 4.45Å; P132-F137 PolarHBondContact O-N 3.45Å; L133-F137 VanDerWaalsContact CA-O 3.29Å; L133-F137 WeakPolarHBondContact CA-O 3.36Å; L133-F137 WeakPolarHBondContact CG-O 3.3Å; F137-L262 HydrophobicContact CE1-CD2 4.01Å; F137-F264 HydrophobicContact CE1-CB 4.02Å; F137-F264 HydrophobicContact CE1-CD1 4.44Å; F137-F264 HydrophobicContact CZ-CB 4.32Å; F137-F264 AromaticContact CZ-CD1 3.91Å; F137-F264 HydrophobicContact CZ-CD1 3.91Å
138H98.6Very high95.5Very high84 Ų8416.4 Ų16.439%0.3898%0.082SC..SBendtrans-81.3-28.6171.7-64.997.2000112Q104 Y108 T110Q104-H138 PolarHBondContact NE2-CD2 2.84Å; Q104-H138 PolarHBondContact NE2-CE1 2.93Å; Q104-H138 VanDerWaalsContact NE2-CE1 3.33Å; Q104-H138 PolarHBondContact NE2-NE2 3.05Å; Q104-H138 VanDerWaalsContact NE2-NE2 3.11Å; Y108-H138 PolarHBondContact O-CE1 3.4Å; Y108-H138 VanDerWaalsContact O-CE1 3.25Å; T110-H138 PolarHBondContact N-ND1 2.89Å; T110-H138 PolarHBondContact O-N 3.01Å; T110-H138 PolarHBondContact OG1-N 2.76Å; T110-H138 PolarHBondContact OG1-ND1 2.92Å
139Y98.8Very high94.7Very high30 Ų3016.4 Ų16.412%0.1188%0.084CC..EExtended strand (participates in β ladder)trans-131.4137.1-177.6-174.6-115.1000110.9T110 G111 L112 R227 N228 E248 F252T110-Y139 PolarHBondContact O-N 3.17Å; T110-Y139 VanDerWaalsContact O-N 3.12Å; G111-Y139 WeakPolarHBondContact CA-O 3.26Å; L112-Y139 PolarHBondContact N-O 3.11Å; Y139-R227 HydrophobicContact CE2-CG 4.39Å; Y139-N228 WeakPolarHBondContact CD2-OD1 3.21Å; Y139-E248 VanDerWaalsContact OH-CD 3.23Å; Y139-E248 PolarHBondContact OH-OE2 2.92Å; Y139-F252 HydrophobicContact CD1-CD2 4.09Å
140F98.8Very high94.1Very high0 Ų016.2 Ų16.20%08%0.082CC..EExtended strand (participates in β ladder)trans-132130.7171.4175.3-125000110.5L112 W116 H131 P132 L133 M226 R227 N228L112-F140 HydrophobicContact CB-CD2 4.05Å; L112-F140 HydrophobicContact CD2-CD2 3.75Å; L112-F140 HydrophobicContact CD2-CE2 3.84Å; L112-F140 HydrophobicContact CG-CD2 3.76Å; L112-F140 HydrophobicContact CG-CE2 4.01Å; L112-F140 WeakPolarHBondContact O-CA 3.48Å; W116-F140 HydrophobicContact CB-CZ 4.49Å; H131-F140 AromaticContact CE1-CD1 3.98Å; H131-F140 AromaticContact NE2-CD1 3.51Å; P132-F140 HydrophobicContact CB-CB 4.27Å; P132-F140 HydrophobicContact CB-CD2 4.28Å; P132-F140 HydrophobicContact CB-CG 4.21Å; P132-F140 HydrophobicContact CG-CB 4.47Å; P132-F140 HydrophobicContact CG-CD1 4.15Å; P132-F140 HydrophobicContact CG-CD2 3.85Å; P132-F140 HydrophobicContact CG-CE1 4.32Å; P132-F140 HydrophobicContact CG-CE2 4.06Å; P132-F140 HydrophobicContact CG-CG 3.9Å; P132-F140 HydrophobicContact CG-CZ 4.29Å; L133-F140 HydrophobicContact CD1-CB 3.58Å; F140-M226 HydrophobicContact CD1-CB 4.33Å; F140-M226 HydrophobicContact CE1-CB 3.87Å; F140-R227 CarbonylContact O-C 3.48Å; F140-R227 WeakPolarHBondContact O-CA 3.34Å; F140-N228 PolarHBondContact N-OD1 3.3Å; F140-N228 VanDerWaalsContact N-OD1 3.09Å; F140-N228 PolarHBondContact O-N 3.34Å
141Y98.6Very high93.4Very high0 Ų015.2 Ų15.20%08%0.077CC..EExtended strand (participates in β ladder)trans-137.2113.9167.2-177.6-86.2000109.5L112 I113 G114 L225 M226 R227 I232 L244 M245 E248 E554L112-Y141 PolarHBondContact O-N 3.16Å; I113-Y141 CarbonylContact C-O 3.55Å; I113-Y141 WeakPolarHBondContact CA-O 3.41Å; I113-Y141 HydrophobicContact CG2-CD1 4.46Å; G114-Y141 PolarHBondContact N-O 3.26Å; Y141-L225 HydrophobicContact CE1-CD1 4.19Å; Y141-L225 WeakPolarHBondContact OH-CD2 3.44Å; Y141-M226 WeakPolarHBondContact CA-O 3.49Å; Y141-R227 HydrophobicContact CD2-CB 4.26Å; Y141-R227 HydrophobicContact CD2-CG 4.32Å; Y141-I232 HydrophobicContact CD2-CD1 4.14Å; Y141-I232 HydrophobicContact CE2-CD1 3.4Å; Y141-I232 VanDerWaalsContact CE2-CD1 3.4Å; Y141-L244 HydrophobicContact CE1-CB 4Å; Y141-L244 WeakPolarHBondContact OH-CB 3.32Å; Y141-L244 WeakPolarHBondContact OH-CD1 3.21Å; Y141-M245 HydrophobicContact CD1-CG 4.35Å; Y141-M245 HydrophobicContact CE1-CG 4.26Å; Y141-E248 HydrophobicContact CD1-CB 3.94Å; Y141-E248 HydrophobicContact CD1-CG 3.67Å; Y141-E248 HydrophobicContact CD2-CG 3.73Å; Y141-E248 HydrophobicContact CE1-CB 4.45Å; Y141-E248 HydrophobicContact CE1-CG 3.85Å; Y141-E248 HydrophobicContact CE2-CG 3.9Å; Y141-E248 HydrophobicContact CG-CB 4.04Å; Y141-E248 HydrophobicContact CG-CG 3.61Å; Y141-E554 PolarHBondContact OH-OE1 2.71Å
142G97.2Very high92.4Very high0 Ų017.3 Ų17.30%09%0.087CC..EExtended strand (participates in β ladder)trans155.9-150.7179.300000113.7G114 M226G114-G142 CarbonylContact O-C 3.32Å; G114-G142 WeakPolarHBondContact O-CA 3.39Å; G142-M226 PolarHBondContact N-O 3.35Å; G142-M226 PolarHBondContact O-N 2.73Å
143V96.5Very high91Very high3 Ų321.3 Ų21.32%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-109.1122.1-172.6-55.50000109.6G114 K115 W116 F145 L225 M236 L268G114-V143 PolarHBondContact O-N 3.17Å; K115-V143 HydrophobicContact CB-CG2 4.18Å; W116-V143 PolarHBondContact N-O 2.77Å; V143-F145 PolarHBondContact O-N 3.44Å; V143-L225 HydrophobicContact CG1-CD1 4.4Å; V143-M236 HydrophobicContact CG1-CE 4.23Å; V143-M236 HydrophobicContact CG1-SD 3.39Å; V143-M236 WeakPolarHBondContact CG1-SD 2.98Å; V143-L268 HydrophobicContact CG1-CD1 4.43Å; V143-L268 HydrophobicContact CG2-CD2 3.44Å; V143-L268 VanDerWaalsContact CG2-CD2 3.44Å
144P94.9Very high89.3Confident2 Ų224.9 Ų24.91%0.01315%0.148CC..SBendtrans-64.1-23.6177.424.2-33.9000112.5L86 H117 L120 I224 M226L86-P144 HydrophobicContact CD1-CG 3.86Å; L86-P144 HydrophobicContact CD2-CB 3.81Å; L86-P144 HydrophobicContact CD2-CG 3.69Å; L86-P144 HydrophobicContact CG-CG 4.46Å; H117-P144 WeakPolarHBondContact CA-O 3.01Å; H117-P144 PolarHBondContact N-O 3.07Å; L120-P144 HydrophobicContact CD1-CB 4.19Å; P144-I224 HydrophobicContact CG-CD1 3.92Å; P144-I224 HydrophobicContact CG-CG1 3.83Å; P144-M226 HydrophobicContact CB-SD 4.19Å; P144-M226 HydrophobicContact CG-CG 4.31Å; P144-M226 HydrophobicContact CG-SD 3.62Å
145F88.5Confident88.1Confident7 Ų723.8 Ų23.83%0.03114%0.14CC..SBendtrans-100.7-82.3-178.8-175.7-116.9000112.6L83 L86 K115 H117 V143 L148L83-F145 WeakPolarHBondContact O-CE2 3.4Å; L86-F145 HydrophobicContact CD1-CB 4.25Å; L86-F145 HydrophobicContact CD2-CB 3.69Å; L86-F145 HydrophobicContact CG-CB 3.87Å; K115-F145 WeakPolarHBondContact CG-O 3.19Å; H117-F145 VanDerWaalsContact CA-O 3.29Å; H117-F145 WeakPolarHBondContact CA-O 3.26Å; H117-F145 WeakPolarHBondContact CB-O 3.06Å; H117-F145 AromaticContact CD2-CD2 3.89Å; H117-F145 AromaticContact CD2-CE2 3.97Å; H117-F145 VanDerWaalsContact CG-O 3.22Å; H117-F145 PolarHBondContact N-O 2.93Å; H117-F145 AromaticContact NE2-CD2 3.98Å; H117-F145 AromaticContact NE2-CE2 3.58Å; V143-F145 PolarHBondContact O-N 3.44Å; F145-L148 HydrophobicContact CE1-CB 4.23Å; F145-L148 HydrophobicContact CE1-CD1 3.41Å; F145-L148 VanDerWaalsContact CE1-CD1 3.41Å; F145-L148 HydrophobicContact CE1-CG 4.38Å; F145-L148 HydrophobicContact CZ-CD1 3.62Å
146G84.3Confident86.7Confident2 Ų227.8 Ų27.82%0.02117%0.165CC..  trans158.6-177.9-172.600000109.6
147L84.4Confident85.7Confident13 Ų1329.5 Ų29.57%0.06818%0.176CC..  trans-80.1146.9164.9-70.8178.2000110M236 L268 H271L147-M236 HydrophobicContact CD2-CE 3.62Å; L147-L268 HydrophobicContact CD1-CB 3.62Å; L147-L268 HydrophobicContact CD1-CD1 4.19Å; L147-L268 HydrophobicContact CD1-CG 4.48Å; L147-L268 HydrophobicContact CD2-CD1 4.14Å; L147-L268 HydrophobicContact CG-CB 3.94Å; L147-L268 HydrophobicContact CG-CD1 3.97Å; L147-L268 HydrophobicContact CG-CG 4.39Å; L147-H271 PolarHBondContact O-CE1 2.75Å; L147-H271 PolarHBondContact O-ND1 2.83Å
148L83.6Confident84.7Confident18 Ų1832.6 Ų32.69%0.09419%0.19CC..  trans-141.3153.6169.7-140.6110.3000107.7F145 D150 C151 E158 L159F145-L148 HydrophobicContact CE1-CB 4.23Å; F145-L148 HydrophobicContact CE1-CD1 3.41Å; F145-L148 VanDerWaalsContact CE1-CD1 3.41Å; F145-L148 HydrophobicContact CE1-CG 4.38Å; F145-L148 HydrophobicContact CZ-CD1 3.62Å; L148-D150 HydrophobicContact CD2-CB 3.99Å; L148-D150 VanDerWaalsContact CD2-OD2 3.26Å; L148-D150 WeakPolarHBondContact CD2-OD2 3.38Å; L148-D150 PolarHBondContact O-N 2.91Å; L148-D150 VanDerWaalsContact O-N 3.14Å; L148-C151 VanDerWaalsContact O-CB 3.27Å; L148-C151 WeakPolarHBondContact O-CB 3.45Å; L148-C151 PolarHBondContact O-N 2.96Å; L148-E158 HydrophobicContact CD2-CB 3.79Å; L148-E158 HydrophobicContact CD2-CG 4.22Å; L148-E158 HydrophobicContact CG-CB 4.25Å; L148-E158 HydrophobicContact CG-CG 4.34Å; L148-L159 HydrophobicContact CD2-CB 3.76Å
149S80.2Confident83.9Confident18 Ų1828.9 Ų28.913%0.12617%0.173CC..G310 helixtrans-58.6-29.6177.4-53.10000112.2C151 Q152 T156 E158S149-C151 PolarHBondContact O-N 3.28Å; S149-C151 VanDerWaalsContact O-N 3.13Å; S149-Q152 PolarHBondContact O-N 3.02Å; S149-T156 VanDerWaalsContact CB-O 3.31Å; S149-T156 WeakPolarHBondContact CB-O 3.45Å; S149-E158 PolarHBondContact N-OE2 3.29Å; S149-E158 VanDerWaalsContact N-OE2 3.16Å; S149-E158 PolarHBondContact OG-OE2 3.36Å
150D84.7Confident83.2Confident16 Ų1629.3 Ų29.39%0.08618%0.176CC..G310 helixtrans-60.4-15.8172.5-72.5-109.7000114.4L148 Q152 P157 E158 L159 R164 T218 R219L148-D150 HydrophobicContact CD2-CB 3.99Å; L148-D150 VanDerWaalsContact CD2-OD2 3.26Å; L148-D150 WeakPolarHBondContact CD2-OD2 3.38Å; L148-D150 PolarHBondContact O-N 2.91Å; L148-D150 VanDerWaalsContact O-N 3.14Å; D150-Q152 VanDerWaalsContact C-N 3.3Å; D150-P157 WeakPolarHBondContact OD2-CA 3.35Å; D150-E158 PolarHBondContact OD2-N 3.38Å; D150-L159 PolarHBondContact OD2-N 3.05Å; D150-R164 IonicContact OD1-NH1 3.72Å; D150-R164 PolarHBondContact OD1-NH1 3.17Å; D150-T218 HydrophobicContact CB-CG2 3.81Å; D150-R219 WeakPolarHBondContact O-CB 3.29Å
151C82.4Confident82.4Confident0 Ų034.9 Ų34.90%020%0.197CC..G310 helixtrans-70.7-28.2172.9-60.20000111.8L148 S149 R219 C223 E238L148-C151 VanDerWaalsContact O-CB 3.27Å; L148-C151 WeakPolarHBondContact O-CB 3.45Å; L148-C151 PolarHBondContact O-N 2.96Å; S149-C151 PolarHBondContact O-N 3.28Å; S149-C151 VanDerWaalsContact O-N 3.13Å; C151-R219 VanDerWaalsContact O-CD 3.29Å; C151-R219 WeakPolarHBondContact O-CD 3.34Å; C151-R219 PolarHBondContact O-NE 3.25Å; C151-C223 WeakPolarHBondContact CA-SG 3.41Å; C151-C223 HydrophobicContact CB-CB 3.82Å; C151-C223 WeakPolarHBondContact CB-SG 3.45Å; C151-C223 WeakPolarHBondContact SG-CB 3.27Å; C151-C223 CovalentContact SG-SG 2.04Å; C151-C223 PolarHBondContact SG-SG 3.03Å; C151-E238 HydrophobicContact CB-CG 4.21Å
152Q78.9Confident81.6Confident45 Ų4542.2 Ų42.221%0.2123%0.225CC..SBendtrans-94.1122174.7-71.7-171.7-36.800111.4S149 D150 S154 K155 P273 I275S149-Q152 PolarHBondContact O-N 3.02Å; D150-Q152 VanDerWaalsContact C-N 3.3Å; Q152-S154 PolarHBondContact O-N 2.76Å; Q152-K155 HydrophobicContact CB-CB 4.01Å; Q152-K155 HydrophobicContact CB-CG 3.73Å; Q152-K155 PolarHBondContact O-N 3.38Å; Q152-K155 VanDerWaalsContact O-N 3.17Å; Q152-P273 HydrophobicContact CG-CB 4.49Å; Q152-P273 HydrophobicContact CG-CG 3.8Å; Q152-P273 VanDerWaalsContact OE1-CB 3.28Å; Q152-I275 HydrophobicContact CG-CD1 4.01Å
153A68.7Low81.1Confident84 Ų8446 Ų4669%0.69425%0.245SC*.THydrogen-bonded Turntrans-60.9-28.7-178.500000114.1
154S61.9Low80.7Confident112 Ų11248 Ų4878%0.78325%0.252SS*.THydrogen-bonded Turntrans-88-6.7-178.155.70000114Q152Q152-S154 PolarHBondContact O-N 2.76Å
155K74.2Confident80.3Confident58 Ų5851 Ų5125%0.25227%0.268SS..SBendtrans-97157.7-175.8-70.1-58.2-169.6178.60112.5Q152 R288 D332Q152-K155 HydrophobicContact CB-CB 4.01Å; Q152-K155 HydrophobicContact CB-CG 3.73Å; Q152-K155 PolarHBondContact O-N 3.38Å; Q152-K155 VanDerWaalsContact O-N 3.17Å; K155-R288 VanDerWaalsContact NZ-NH1 3.18Å; K155-D332 IonicContact NZ-OD2 3.91Å; K155-D332 PolarHBondContact NZ-OD2 3.11Å
156T68.6Low80.5Confident89 Ų8957.5 Ų57.555%0.54630%0.296SS..PPolyproline II helixtrans-66.9132.7175.248.40000109.3S149 E158S149-T156 VanDerWaalsContact CB-O 3.31Å; S149-T156 WeakPolarHBondContact CB-O 3.45Å; T156-E158 PolarHBondContact O-N 2.8Å
157P76.7Confident80.9Confident36 Ų3658.8 Ų58.823%0.23430%0.302CS..PPolyproline II helixtrans-58.7136.7174.7-28.135.8000112.4D150 R161 R164D150-P157 WeakPolarHBondContact OD2-CA 3.35Å; P157-R161 WeakPolarHBondContact O-CB 2.91Å; P157-R161 WeakPolarHBondContact O-CD 3.29Å; P157-R161 WeakPolarHBondContact O-CG 3.4Å; P157-R164 VanDerWaalsContact CG-CZ 3.41Å
158E78.3Confident81.3Confident68 Ų6863.6 Ų63.632%0.31832%0.319SS..  trans-97.2-38.7175.1179.5180163.100109.7L148 S149 D150 T156 H160L148-E158 HydrophobicContact CD2-CB 3.79Å; L148-E158 HydrophobicContact CD2-CG 4.22Å; L148-E158 HydrophobicContact CG-CB 4.25Å; L148-E158 HydrophobicContact CG-CG 4.34Å; S149-E158 PolarHBondContact N-OE2 3.29Å; S149-E158 VanDerWaalsContact N-OE2 3.16Å; S149-E158 PolarHBondContact OG-OE2 3.36Å; D150-E158 PolarHBondContact OD2-N 3.38Å; T156-E158 PolarHBondContact O-N 2.8Å; E158-H160 PolarHBondContact O-N 3.09Å; E158-H160 VanDerWaalsContact O-N 3.15Å
159L81.9Confident81.8Confident6 Ų668 Ų683%0.03134%0.342CS..THydrogen-bonded Turntrans-67.2115.4-178.2-176.156.3000111.9T84 W85 L148 D150 R161 R164 T218T84-L159 HydrophobicContact CG2-CD1 4.06Å; W85-L159 HydrophobicContact CD2-CD2 4.06Å; W85-L159 HydrophobicContact CE3-CD2 4.07Å; W85-L159 HydrophobicContact CH2-CD2 3.44Å; W85-L159 VanDerWaalsContact CH2-CD2 3.44Å; W85-L159 HydrophobicContact CH2-CG 4.41Å; W85-L159 HydrophobicContact CZ2-CD1 4.49Å; W85-L159 HydrophobicContact CZ2-CD2 3.41Å; W85-L159 VanDerWaalsContact CZ2-CD2 3.41Å; W85-L159 HydrophobicContact CZ2-CG 4.04Å; W85-L159 HydrophobicContact CZ3-CD2 3.77Å; L148-L159 HydrophobicContact CD2-CB 3.76Å; D150-L159 PolarHBondContact OD2-N 3.05Å; L159-R161 PolarHBondContact O-N 3.25Å; L159-R161 VanDerWaalsContact O-N 3.09Å; L159-R164 WeakPolarHBondContact O-CD 3.45Å; L159-T218 HydrophobicContact CD2-CG2 3.71Å
160H83.1Confident82.5Confident39 Ų3969.6 Ų69.618%0.18135%0.353CS..THydrogen-bonded Turntrans49.635.6177.9-61169.8000113.3N80 W85 E158 W162 L163 R164 Y215N80-H160 PolarHBondContact OD1-NE2 3.2Å; W85-H160 AromaticContact NE1-CE1 3.72Å; E158-H160 PolarHBondContact O-N 3.09Å; E158-H160 VanDerWaalsContact O-N 3.15Å; H160-W162 PolarHBondContact O-N 3.14Å; H160-L163 HydrophobicContact CB-CB 4.21Å; H160-L163 HydrophobicContact CB-CD2 4.43Å; H160-L163 WeakPolarHBondContact O-CB 3.43Å; H160-L163 PolarHBondContact O-N 3.45Å; H160-R164 PolarHBondContact O-N 3.32Å; H160-Y215 HydrophobicContact CB-CE1 3.84Å; H160-Y215 AromaticContact ND1-CE1 3.6Å; H160-Y215 AromaticContact ND1-CZ 3.66Å; H160-Y215 PolarHBondContact ND1-OH 3.44Å
161R83Confident83Confident117 Ų11769.5 Ų69.544%0.44235%0.353SS..Hα-helixtrans-44.9-54.1-174.3-179178.2170.1177.1-2.7113.7P157 L159 L163 R164 I165P157-R161 WeakPolarHBondContact O-CB 2.91Å; P157-R161 WeakPolarHBondContact O-CD 3.29Å; P157-R161 WeakPolarHBondContact O-CG 3.4Å; L159-R161 PolarHBondContact O-N 3.25Å; L159-R161 VanDerWaalsContact O-N 3.09Å; R161-L163 VanDerWaalsContact C-N 3.33Å; R161-L163 PolarHBondContact O-N 3.45Å; R161-R164 PolarHBondContact O-N 2.95Å; R161-I165 HydrophobicContact CG-CD1 4.09Å; R161-I165 WeakPolarHBondContact O-CG1 3.21Å; R161-I165 PolarHBondContact O-N 2.95Å
162W81.7Confident83.6Confident153 Ų15373.3 Ų73.358%0.5838%0.376SS*.Hα-helixtrans-63.8-37.1-177.8-67.4117.8000113.3H160 I165 K166H160-W162 PolarHBondContact O-N 3.14Å; W162-I165 HydrophobicContact CE3-CD1 4.05Å; W162-I165 HydrophobicContact CZ3-CD1 4.24Å; W162-K166 WeakPolarHBondContact O-CG 3.48Å; W162-K166 PolarHBondContact O-N 3.15Å; W162-K166 VanDerWaalsContact O-N 3.1Å
163L86Confident84.4Confident81 Ų8173.9 Ų73.942%0.42439%0.388SS..Hα-helixtrans-66.5-44175176.960.3000110.6H160 R161 I165 K166 L167 Y215H160-L163 HydrophobicContact CB-CB 4.21Å; H160-L163 HydrophobicContact CB-CD2 4.43Å; H160-L163 WeakPolarHBondContact O-CB 3.43Å; H160-L163 PolarHBondContact O-N 3.45Å; R161-L163 VanDerWaalsContact C-N 3.33Å; R161-L163 PolarHBondContact O-N 3.45Å; L163-I165 VanDerWaalsContact C-N 3.34Å; L163-I165 PolarHBondContact O-N 2.9Å; L163-K166 PolarHBondContact O-N 2.88Å; L163-L167 HydrophobicContact CD1-CD1 4.17Å; L163-L167 HydrophobicContact CD1-CG 4.19Å; L163-L167 HydrophobicContact CG-CD1 3.88Å; L163-L167 HydrophobicContact CG-CG 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.21Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.15Å; L163-L167 PolarHBondContact O-N 2.77Å; L163-Y215 WeakPolarHBondContact CD2-OH 3.07Å
164R88.4Confident85.6Confident44 Ų4472.4 Ų72.417%0.16637%0.368CS..Hα-helixtrans-60.6-41176.5-70.6179.957.3173.3-3.5112.5D150 P157 L159 H160 R161 L167 W168 Y215D150-R164 IonicContact OD1-NH1 3.72Å; D150-R164 PolarHBondContact OD1-NH1 3.17Å; P157-R164 VanDerWaalsContact CG-CZ 3.41Å; L159-R164 WeakPolarHBondContact O-CD 3.45Å; H160-R164 PolarHBondContact O-N 3.32Å; R161-R164 PolarHBondContact O-N 2.95Å; R164-L167 PolarHBondContact O-N 2.98Å; R164-W168 WeakPolarHBondContact O-CB 3.45Å; R164-W168 PolarHBondContact O-N 3Å; R164-Y215 HydrophobicContact CG-CD1 3.97Å; R164-Y215 HydrophobicContact CG-CD2 4.27Å; R164-Y215 HydrophobicContact CG-CE1 4.21Å; R164-Y215 HydrophobicContact CG-CG 4Å
165I87.7Confident87.1Confident65 Ų6568.5 Ų68.533%0.33334%0.342SS..Hα-helixtrans-61.2-47.8175-68.5167.5000110.3R161 W162 L163 L167 W168 I169R161-I165 HydrophobicContact CG-CD1 4.09Å; R161-I165 WeakPolarHBondContact O-CG1 3.21Å; R161-I165 PolarHBondContact O-N 2.95Å; W162-I165 HydrophobicContact CE3-CD1 4.05Å; W162-I165 HydrophobicContact CZ3-CD1 4.24Å; L163-I165 VanDerWaalsContact C-N 3.34Å; L163-I165 PolarHBondContact O-N 2.9Å; I165-L167 PolarHBondContact O-N 2.72Å; I165-W168 PolarHBondContact O-N 3.1Å; I165-I169 HydrophobicContact CG2-CD1 3.81Å; I165-I169 HydrophobicContact CG2-CG1 4.49Å; I165-I169 WeakPolarHBondContact O-CG1 3.09Å; I165-I169 PolarHBondContact O-N 3.42Å
166K91.8Very high88.2Confident143 Ų14370 Ų7062%0.62235%0.353SS*.Hα-helixtrans-59.3-46.2176.8-72.9179.7-179.4-176.70111.7W162 L163 W168 I169 S170W162-K166 WeakPolarHBondContact O-CG 3.48Å; W162-K166 PolarHBondContact O-N 3.15Å; W162-K166 VanDerWaalsContact O-N 3.1Å; L163-K166 PolarHBondContact O-N 2.88Å; K166-W168 VanDerWaalsContact C-N 3.33Å; K166-W168 PolarHBondContact O-N 2.72Å; K166-I169 PolarHBondContact O-N 3.05Å; K166-S170 WeakPolarHBondContact O-CB 3.41Å; K166-S170 PolarHBondContact O-N 3.27Å; K166-S170 PolarHBondContact O-OG 3.47Å
167L93.1Very high89.4Confident29 Ų2968.1 Ų68.115%0.15234%0.341CS..Hα-helixtrans-60.9-39.9177.9-70.7166.2000112.4L163 R164 I165 T171 F207 W211 Y215L163-L167 HydrophobicContact CD1-CD1 4.17Å; L163-L167 HydrophobicContact CD1-CG 4.19Å; L163-L167 HydrophobicContact CG-CD1 3.88Å; L163-L167 HydrophobicContact CG-CG 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.21Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.15Å; L163-L167 PolarHBondContact O-N 2.77Å; R164-L167 PolarHBondContact O-N 2.98Å; I165-L167 PolarHBondContact O-N 2.72Å; L167-T171 WeakPolarHBondContact O-CB 3.24Å; L167-T171 PolarHBondContact O-N 3.46Å; L167-T171 PolarHBondContact O-OG1 3.34Å; L167-F207 HydrophobicContact CD2-CZ 3.99Å; L167-W211 HydrophobicContact CB-CD2 3.81Å; L167-W211 HydrophobicContact CB-CE3 4.18Å; L167-W211 HydrophobicContact CB-CG 3.98Å; L167-W211 HydrophobicContact CD1-CB 3.92Å; L167-W211 HydrophobicContact CD1-CD2 4.18Å; L167-W211 HydrophobicContact CD1-CE3 4.12Å; L167-W211 HydrophobicContact CD1-CG 4.09Å; L167-W211 HydrophobicContact CD2-CB 4.03Å; L167-W211 HydrophobicContact CD2-CG 4.09Å; L167-W211 HydrophobicContact CG-CB 4.42Å; L167-W211 HydrophobicContact CG-CD2 4.47Å; L167-W211 HydrophobicContact CG-CG 4.28Å; L167-Y215 HydrophobicContact CD1-CE2 4.11Å
168W93.3Very high90.3Very high115 Ų11567 Ų6744%0.43633%0.334SS..Hα-helixtrans-63.1-50.3173.4-95.5113.4000112.3R164 I165 K166 S170 T171 V172 F208 W211R164-W168 WeakPolarHBondContact O-CB 3.45Å; R164-W168 PolarHBondContact O-N 3Å; I165-W168 PolarHBondContact O-N 3.1Å; K166-W168 VanDerWaalsContact C-N 3.33Å; K166-W168 PolarHBondContact O-N 2.72Å; W168-S170 VanDerWaalsContact C-N 3.32Å; W168-S170 PolarHBondContact O-N 3.21Å; W168-T171 WeakPolarHBondContact O-CB 3.33Å; W168-T171 PolarHBondContact O-N 3.25Å; W168-T171 VanDerWaalsContact O-N 3.1Å; W168-V172 PolarHBondContact O-N 2.93Å; W168-F208 AromaticContact CH2-CE2 3.85Å; W168-F208 HydrophobicContact CH2-CE2 3.85Å; W168-F208 HydrophobicContact CH2-CZ 4.46Å; W168-F208 HydrophobicContact CZ2-CE2 4.27Å; W168-F208 HydrophobicContact CZ3-CE2 4.17Å; W168-W211 AromaticContact CD1-CH2 3.6Å; W168-W211 AromaticContact CD2-CH2 3.9Å; W168-W211 HydrophobicContact CD2-CH2 3.9Å; W168-W211 AromaticContact CD2-CZ2 3.9Å; W168-W211 HydrophobicContact CD2-CZ2 3.9Å; W168-W211 AromaticContact CE2-CH2 3.49Å; W168-W211 VanDerWaalsContact CE2-CH2 3.49Å; W168-W211 AromaticContact CE2-CZ2 3.92Å; W168-W211 HydrophobicContact CE3-CZ2 4.4Å; W168-W211 AromaticContact CG-CH2 3.98Å; W168-W211 HydrophobicContact CG-CH2 3.98Å; W168-W211 HydrophobicContact CG-CZ2 4.08Å; W168-W211 HydrophobicContact CZ2-CH2 4.02Å; W168-W211 HydrophobicContact CZ2-CZ2 4.41Å; W168-W211 AromaticContact NE1-CH2 3.32Å; W168-W211 VanDerWaalsContact NE1-CH2 3.32Å
169I94.1Very high91Very high111 Ų11170.3 Ų70.357%0.56935%0.347SS*.Hα-helixtrans-59.7-45.3178.1-66.9168.2000110.3I165 K166 T171 V172 A173I165-I169 HydrophobicContact CG2-CD1 3.81Å; I165-I169 HydrophobicContact CG2-CG1 4.49Å; I165-I169 WeakPolarHBondContact O-CG1 3.09Å; I165-I169 PolarHBondContact O-N 3.42Å; K166-I169 PolarHBondContact O-N 3.05Å; I169-T171 VanDerWaalsContact C-N 3.3Å; I169-T171 PolarHBondContact O-N 3.14Å; I169-V172 PolarHBondContact O-N 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.21Å; I169-A173 PolarHBondContact O-N 3.05Å
170S94.4Very high91.6Very high51 Ų5175.1 Ų75.136%0.35737%0.373SS..Hα-helixtrans-60.1-39.6175.2-63.70000111.9K166 W168 A173 I174K166-S170 WeakPolarHBondContact O-CB 3.41Å; K166-S170 PolarHBondContact O-N 3.27Å; K166-S170 PolarHBondContact O-OG 3.47Å; W168-S170 VanDerWaalsContact C-N 3.32Å; W168-S170 PolarHBondContact O-N 3.21Å; S170-A173 PolarHBondContact O-N 2.89Å; S170-I174 WeakPolarHBondContact O-CB 3.26Å; S170-I174 WeakPolarHBondContact O-CD1 3.25Å; S170-I174 WeakPolarHBondContact O-CG1 3.24Å; S170-I174 PolarHBondContact O-N 3.35Å
171T94.9Very high92Very high13 Ų1375 Ų758%0.0837%0.373CS..Hα-helixtrans-62-47.7176-58.90000111.2L167 W168 I169 A173 I174 A175 F207 F208 W211L167-T171 WeakPolarHBondContact O-CB 3.24Å; L167-T171 PolarHBondContact O-N 3.46Å; L167-T171 PolarHBondContact O-OG1 3.34Å; W168-T171 WeakPolarHBondContact O-CB 3.33Å; W168-T171 PolarHBondContact O-N 3.25Å; W168-T171 VanDerWaalsContact O-N 3.1Å; I169-T171 VanDerWaalsContact C-N 3.3Å; I169-T171 PolarHBondContact O-N 3.14Å; T171-A173 VanDerWaalsContact C-N 3.34Å; T171-A173 PolarHBondContact O-N 3.06Å; T171-I174 PolarHBondContact O-N 2.81Å; T171-A175 WeakPolarHBondContact O-CB 3.48Å; T171-A175 PolarHBondContact O-N 3.5Å; T171-F207 WeakPolarHBondContact OG1-CE1 3.13Å; T171-F208 HydrophobicContact CG2-CB 3.8Å; T171-F208 HydrophobicContact CG2-CD2 3.8Å; T171-F208 HydrophobicContact CG2-CG 4.16Å; T171-W211 PolarHBondContact OG1-NE1 2.97Å
172V95.1Very high92.5Very high81 Ų8171.3 Ų71.349%0.49136%0.362SS..Hα-helixtrans-60.9-45.8177.6174.50000110.3W168 I169 I174 A175 L176W168-V172 PolarHBondContact O-N 2.93Å; I169-V172 PolarHBondContact O-N 3.27Å; V172-I174 PolarHBondContact O-N 3.26Å; V172-A175 PolarHBondContact O-N 3.19Å; V172-L176 HydrophobicContact CG1-CD1 4.24Å; V172-L176 HydrophobicContact CG1-CG 4.46Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 3.48Å
173A95Very high92.9Very high56 Ų5668.2 Ų68.246%0.46336%0.356SS..Hα-helixtrans-59.5-45.9178.600000112.5I169 S170 T171 L176I169-A173 WeakPolarHBondContact O-CB 3.21Å; I169-A173 PolarHBondContact O-N 3.05Å; S170-A173 PolarHBondContact O-N 2.89Å; T171-A173 VanDerWaalsContact C-N 3.34Å; T171-A173 PolarHBondContact O-N 3.06Å; A173-L176 PolarHBondContact O-N 2.91Å
174I94.1Very high93.1Very high54 Ų5464.8 Ų64.828%0.27734%0.338SS..Hα-helixtrans-68-39.3177.8-62.6163.9000110.5S170 T171 V172 L176 V177 P178 A204 F207S170-I174 WeakPolarHBondContact O-CB 3.26Å; S170-I174 WeakPolarHBondContact O-CD1 3.25Å; S170-I174 WeakPolarHBondContact O-CG1 3.24Å; S170-I174 PolarHBondContact O-N 3.35Å; T171-I174 PolarHBondContact O-N 2.81Å; V172-I174 PolarHBondContact O-N 3.26Å; I174-L176 VanDerWaalsContact C-N 3.29Å; I174-L176 PolarHBondContact O-N 2.68Å; I174-V177 WeakPolarHBondContact O-CB 3.36Å; I174-V177 PolarHBondContact O-N 3.32Å; I174-P178 VanDerWaalsContact O-CD 3.31Å; I174-P178 WeakPolarHBondContact O-CD 3.43Å; I174-A204 HydrophobicContact CG2-CB 3.77Å; I174-F207 HydrophobicContact CD1-CB 4.45Å; I174-F207 HydrophobicContact CD1-CD1 3.8Å; I174-F207 HydrophobicContact CD1-CD2 4.27Å; I174-F207 HydrophobicContact CD1-CE1 4.06Å; I174-F207 HydrophobicContact CD1-CE2 4.5Å; I174-F207 HydrophobicContact CD1-CG 3.91Å; I174-F207 HydrophobicContact CD1-CZ 4.4Å
175A94.6Very high93.2Very high29 Ų2965.3 Ų65.324%0.2434%0.342CS..Hα-helixtrans-67-27.3178.600000112.9T171 V172 V177 P178 F179 A204T171-A175 WeakPolarHBondContact O-CB 3.48Å; T171-A175 PolarHBondContact O-N 3.5Å; V172-A175 PolarHBondContact O-N 3.19Å; A175-V177 VanDerWaalsContact C-N 3.31Å; A175-V177 PolarHBondContact O-N 3.48Å; A175-P178 WeakPolarHBondContact O-CD 3.37Å; A175-P178 WeakPolarHBondContact O-CG 3.36Å; A175-F179 WeakPolarHBondContact O-CD2 3.42Å; A175-F179 WeakPolarHBondContact O-CE2 3.32Å; A175-A204 HydrophobicContact CB-CB 4.37Å
176L95.9Very high93.3Very high90 Ų9069.3 Ų69.347%0.47136%0.357SS..Hα-helixtrans-68.5-27.6174.8-74.3171.5000113.1V172 A173 I174 F179 L180V172-L176 HydrophobicContact CG1-CD1 4.24Å; V172-L176 HydrophobicContact CG1-CG 4.46Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 3.48Å; A173-L176 PolarHBondContact O-N 2.91Å; I174-L176 VanDerWaalsContact C-N 3.29Å; I174-L176 PolarHBondContact O-N 2.68Å; L176-F179 PolarHBondContact O-N 3.34Å; L176-F179 VanDerWaalsContact O-N 3.17Å; L176-L180 WeakPolarHBondContact O-CG 3.29Å; L176-L180 PolarHBondContact O-N 2.98Å
177V95Very high93.3Very high50 Ų5064.7 Ų64.730%0.30335%0.346SS..Hα-helixtrans-55.4-53.9-179.5179.70000112.9I174 A175 F179 L180 L181 F200I174-V177 WeakPolarHBondContact O-CB 3.36Å; I174-V177 PolarHBondContact O-N 3.32Å; A175-V177 VanDerWaalsContact C-N 3.31Å; A175-V177 PolarHBondContact O-N 3.48Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 3.01Å; V177-L180 PolarHBondContact O-N 3.43Å; V177-L181 HydrophobicContact CG1-CD1 4.14Å; V177-L181 WeakPolarHBondContact O-CG 3.39Å; V177-L181 PolarHBondContact O-N 3.29Å; V177-F200 HydrophobicContact CG1-CB 4.23Å; V177-F200 HydrophobicContact CG1-CD1 3.8Å; V177-F200 HydrophobicContact CG1-CD2 4.11Å; V177-F200 HydrophobicContact CG1-CE1 4.14Å; V177-F200 HydrophobicContact CG1-CE2 4.43Å; V177-F200 HydrophobicContact CG1-CG 3.79Å; V177-F200 HydrophobicContact CG1-CZ 4.45Å
178P94.9Very high92.9Very high13 Ų1374.2 Ų74.28%0.08438%0.38CS..Hα-helixtrans-62-34.4177.424.4-34.9000112.7I174 A175 L181 L182 I197 F200 A201I174-P178 VanDerWaalsContact O-CD 3.31Å; I174-P178 WeakPolarHBondContact O-CD 3.43Å; A175-P178 WeakPolarHBondContact O-CD 3.37Å; A175-P178 WeakPolarHBondContact O-CG 3.36Å; P178-L181 PolarHBondContact O-N 2.81Å; P178-L182 WeakPolarHBondContact O-CG 3.36Å; P178-L182 PolarHBondContact O-N 3.32Å; P178-I197 HydrophobicContact CB-CG2 4.06Å; P178-F200 HydrophobicContact CB-CB 4.42Å; P178-A201 HydrophobicContact CB-CB 4.27Å; P178-A201 HydrophobicContact CG-CB 4.36Å
179F93.1Very high92.7Very high136 Ų13677.6 Ų77.660%0.59639%0.393SS*.Hα-helixtrans-66.8-43175.6-67.9-71.3000112.4A175 L176 V177 L181 L182A175-F179 WeakPolarHBondContact O-CD2 3.42Å; A175-F179 WeakPolarHBondContact O-CE2 3.32Å; L176-F179 PolarHBondContact O-N 3.34Å; L176-F179 VanDerWaalsContact O-N 3.17Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 3.01Å; F179-L181 VanDerWaalsContact C-N 3.27Å; F179-L181 PolarHBondContact O-N 2.78Å; F179-L182 HydrophobicContact CD1-CD1 4.34Å; F179-L182 WeakPolarHBondContact O-CB 3.46Å; F179-L182 PolarHBondContact O-N 3.32Å; F179-L182 VanDerWaalsContact O-N 3.1Å
180L94Very high92.3Very high107 Ų10778.1 Ų78.156%0.5639%0.391SS*.Hα-helixtrans-63.6-34.7175.9-71.3173.2000111.7L176 V177 L182 I183 P184L176-L180 WeakPolarHBondContact O-CG 3.29Å; L176-L180 PolarHBondContact O-N 2.98Å; V177-L180 PolarHBondContact O-N 3.43Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 2.76Å; L180-I183 HydrophobicContact CD2-CD1 4.13Å; L180-I183 PolarHBondContact O-N 2.03Å; L180-P184 WeakPolarHBondContact O-CD 3.34Å
181L92.5Very high91.9Very high36 Ų3681.4 Ų81.419%0.18841%0.414CS..Hα-helixtrans-70-21.5174.7-70.3174.7000113.6V177 P178 F179 P184 K185 V192 V196 I197 F200V177-L181 HydrophobicContact CG1-CD1 4.14Å; V177-L181 WeakPolarHBondContact O-CG 3.39Å; V177-L181 PolarHBondContact O-N 3.29Å; P178-L181 PolarHBondContact O-N 2.81Å; F179-L181 VanDerWaalsContact C-N 3.27Å; F179-L181 PolarHBondContact O-N 2.78Å; L181-P184 WeakPolarHBondContact O-CD 3.33Å; L181-K185 WeakPolarHBondContact O-CB 3.42Å; L181-V192 HydrophobicContact CB-CG1 4.36Å; L181-V192 HydrophobicContact CD2-CG1 4.39Å; L181-V196 HydrophobicContact CD1-CG1 4.11Å; L181-I197 HydrophobicContact CB-CG1 3.89Å; L181-I197 HydrophobicContact CD1-CG1 4.46Å; L181-F200 HydrophobicContact CD1-CD2 3.58Å; L181-F200 HydrophobicContact CD1-CE2 4Å; L181-F200 HydrophobicContact CD1-CG 4.45Å
182L92.3Very high91.7Very high41 Ų4181.1 Ų81.122%0.21541%0.412CS..Hα-helixtrans-71.9-29173.8-69.4170.6000112.4P178 F179 L180 K185 F186 W194 I197P178-L182 WeakPolarHBondContact O-CG 3.36Å; P178-L182 PolarHBondContact O-N 3.32Å; F179-L182 HydrophobicContact CD1-CD1 4.34Å; F179-L182 WeakPolarHBondContact O-CB 3.46Å; F179-L182 PolarHBondContact O-N 3.32Å; F179-L182 VanDerWaalsContact O-N 3.1Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 2.76Å; L182-K185 WeakPolarHBondContact O-CB 3.3Å; L182-K185 PolarHBondContact O-N 3.42Å; L182-F186 HydrophobicContact CB-CD2 4.04Å; L182-F186 HydrophobicContact CB-CE2 4.06Å; L182-F186 HydrophobicContact CD2-CD2 4.48Å; L182-F186 HydrophobicContact CD2-CE2 3.82Å; L182-F186 HydrophobicContact CG-CE2 4.39Å; L182-F186 WeakPolarHBondContact O-CD2 3.35Å; L182-F186 PolarHBondContact O-N 2.84Å; L182-W194 HydrophobicContact CD2-CH2 4.07Å; L182-W194 HydrophobicContact CD2-CZ3 4.08Å; L182-I197 HydrophobicContact CD2-CD1 3.91Å; L182-I197 HydrophobicContact CD2-CG2 4.32Å
183I91Very high91.6Very high87 Ų8780.6 Ų80.645%0.44641%0.411SS..Hα-helixtrans-60.3-59.6-179.6-58.6172.6000112L180 K185 F186 A187 W189L180-I183 HydrophobicContact CD2-CD1 4.13Å; L180-I183 PolarHBondContact O-N 2.03Å; I183-K185 PolarHBondContact O-N 3.39Å; I183-F186 PolarHBondContact O-N 3.23Å; I183-A187 WeakPolarHBondContact O-CB 3.45Å; I183-A187 PolarHBondContact O-N 3.46Å; I183-W189 HydrophobicContact CG2-CH2 4.18Å; I183-W189 HydrophobicContact CG2-CZ3 4Å
184P89.6Confident91.5Very high9 Ų985.3 Ų85.36%0.05842%0.416CS..Hα-helixtrans-66.7-27.4179.128.1-35.3000112.4L180 L181 R188 W189 F190 V192L180-P184 WeakPolarHBondContact O-CD 3.34Å; L181-P184 WeakPolarHBondContact O-CD 3.33Å; P184-R188 WeakPolarHBondContact O-CA 3.47Å; P184-R188 PolarHBondContact O-N 3.19Å; P184-W189 HydrophobicContact CB-CB 4.15Å; P184-W189 HydrophobicContact CB-CE3 4.21Å; P184-W189 PolarHBondContact O-N 2.75Å; P184-F190 HydrophobicContact CB-CD1 3.82Å; P184-F190 HydrophobicContact CB-CD2 4.33Å; P184-F190 HydrophobicContact CB-CE1 3.32Å; P184-F190 HydrophobicContact CB-CE2 3.9Å; P184-F190 HydrophobicContact CB-CG 4.3Å; P184-F190 HydrophobicContact CB-CZ 3.37Å; P184-F190 HydrophobicContact CG-CE1 3.92Å; P184-F190 HydrophobicContact CG-CE2 3.86Å; P184-F190 HydrophobicContact CG-CZ 3.43Å; P184-F190 VanDerWaalsContact CG-CZ 3.43Å; P184-V192 HydrophobicContact CG-CG2 4.11Å
185K90.6Very high91.6Very high56 Ų5691.1 Ų91.124%0.24344%0.44CS..Hα-helixtrans-61.7-49.8174.2178.982.1177171.10111.5L181 L182 I183 V192 I197L181-K185 WeakPolarHBondContact O-CB 3.42Å; L182-K185 WeakPolarHBondContact O-CB 3.3Å; L182-K185 PolarHBondContact O-N 3.42Å; I183-K185 PolarHBondContact O-N 3.39Å; K185-V192 HydrophobicContact CB-CB 4.4Å; K185-V192 HydrophobicContact CD-CB 4.13Å; K185-V192 WeakPolarHBondContact CD-O 2.82Å; K185-V192 WeakPolarHBondContact CE-O 3.45Å; K185-V192 PolarHBondContact NZ-O 2.73Å; K185-I197 HydrophobicContact CD-CD1 4.3Å; K185-I197 HydrophobicContact CG-CD1 4.32Å
186F91Very high91.5Very high148 Ų14892.4 Ų92.465%0.64944%0.444SS*.Hα-helixtrans-80.2-36.3-179.5-75.1-63.3000112.8L182 I183 R188L182-F186 HydrophobicContact CB-CD2 4.04Å; L182-F186 HydrophobicContact CB-CE2 4.06Å; L182-F186 HydrophobicContact CD2-CD2 4.48Å; L182-F186 HydrophobicContact CD2-CE2 3.82Å; L182-F186 HydrophobicContact CG-CE2 4.39Å; L182-F186 WeakPolarHBondContact O-CD2 3.35Å; L182-F186 PolarHBondContact O-N 2.84Å; I183-F186 PolarHBondContact O-N 3.23Å; F186-R188 PolarHBondContact O-N 3.23Å
187A90.6Very high91.4Very high47 Ų4788.7 Ų88.739%0.38843%0.425SS..Hα-helixtrans-74.8-5.9175.300000113.4I183 W189I183-A187 WeakPolarHBondContact O-CB 3.45Å; I183-A187 PolarHBondContact O-N 3.46Å; A187-W189 HydrophobicContact CB-CD2 3.91Å; A187-W189 HydrophobicContact CB-CG 4.04Å; A187-W189 HydrophobicContact CB-CZ2 4.13Å; A187-W189 PolarHBondContact O-N 2.87Å
188R85.8Confident91.5Very high228 Ų22892.9 Ų92.986%0.8644%0.439SS*.THydrogen-bonded Turntrans56.531.1-179.1-57-177179.1-177.5-0114.2P184 F186P184-R188 WeakPolarHBondContact O-CA 3.47Å; P184-R188 PolarHBondContact O-N 3.19Å; F186-R188 PolarHBondContact O-N 3.23Å
189W88.4Confident91.5Very high186 Ų18695.9 Ų95.971%0.70546%0.457SS*.SBendtrans-71-35.9178.6-64.3-15.8000112.5I183 P184 A187I183-W189 HydrophobicContact CG2-CH2 4.18Å; I183-W189 HydrophobicContact CG2-CZ3 4Å; P184-W189 HydrophobicContact CB-CB 4.15Å; P184-W189 HydrophobicContact CB-CE3 4.21Å; P184-W189 PolarHBondContact O-N 2.75Å; A187-W189 HydrophobicContact CB-CD2 3.91Å; A187-W189 HydrophobicContact CB-CG 4.04Å; A187-W189 HydrophobicContact CB-CZ2 4.13Å; A187-W189 PolarHBondContact O-N 2.87Å
190F85.6Confident91.7Very high123 Ų12393 Ų9354%0.53945%0.445SS..SBendtrans-159.8158.9171.851.8-90.2000110.9P184 V192P184-F190 HydrophobicContact CB-CD1 3.82Å; P184-F190 HydrophobicContact CB-CD2 4.33Å; P184-F190 HydrophobicContact CB-CE1 3.32Å; P184-F190 HydrophobicContact CB-CE2 3.9Å; P184-F190 HydrophobicContact CB-CG 4.3Å; P184-F190 HydrophobicContact CB-CZ 3.37Å; P184-F190 HydrophobicContact CG-CE1 3.92Å; P184-F190 HydrophobicContact CG-CE2 3.86Å; P184-F190 HydrophobicContact CG-CZ 3.43Å; P184-F190 VanDerWaalsContact CG-CZ 3.43Å; F190-V192 HydrophobicContact CD2-CG2 3.62Å; F190-V192 HydrophobicContact CE2-CG2 3.41Å; F190-V192 VanDerWaalsContact CE2-CG2 3.41Å; F190-V192 HydrophobicContact CZ-CG2 4.44Å; F190-V192 PolarHBondContact O-N 3.44Å; F190-V192 VanDerWaalsContact O-N 3.17Å
191S86.4Confident91.8Very high119 Ų11990 Ų9083%0.83244%0.435SS*.  trans-77.6101.2-175-1700000112
192V89.6Confident92Very high8 Ų891.8 Ų91.85%0.04845%0.445CS..  trans-94.7120.7171.7-177.80000110L181 P184 K185 F190 I197L181-V192 HydrophobicContact CB-CG1 4.36Å; L181-V192 HydrophobicContact CD2-CG1 4.39Å; P184-V192 HydrophobicContact CG-CG2 4.11Å; K185-V192 HydrophobicContact CB-CB 4.4Å; K185-V192 HydrophobicContact CD-CB 4.13Å; K185-V192 WeakPolarHBondContact CD-O 2.82Å; K185-V192 WeakPolarHBondContact CE-O 3.45Å; K185-V192 PolarHBondContact NZ-O 2.73Å; F190-V192 HydrophobicContact CD2-CG2 3.62Å; F190-V192 HydrophobicContact CE2-CG2 3.41Å; F190-V192 VanDerWaalsContact CE2-CG2 3.41Å; F190-V192 HydrophobicContact CZ-CG2 4.44Å; F190-V192 PolarHBondContact O-N 3.44Å; F190-V192 VanDerWaalsContact O-N 3.17Å; V192-I197 HydrophobicContact CG1-CD1 4.03Å; V192-I197 HydrophobicContact CG1-CG1 3.99Å
193P93.8Very high92.1Very high70 Ų7094.1 Ų94.146%0.45546%0.457SS..  trans-68.5139.1176.1-1931.4000112.2K195 V196P193-K195 PolarHBondContact O-N 2.83Å; P193-K195 VanDerWaalsContact O-N 3.16Å; P193-V196 HydrophobicContact CB-CG2 4.14Å; P193-V196 HydrophobicContact CG-CG2 4.09Å; P193-V196 WeakPolarHBondContact O-CB 3.24Å; P193-V196 PolarHBondContact O-N 3.15Å
194W93.1Very high92.3Very high154 Ų15490.4 Ų90.458%0.58344%0.439SS*.Hα-helixtrans-56.9-31.3174.4-85.8113000112.8L182 V196 I197 F198L182-W194 HydrophobicContact CD2-CH2 4.07Å; L182-W194 HydrophobicContact CD2-CZ3 4.08Å; W194-V196 VanDerWaalsContact C-N 3.28Å; W194-V196 PolarHBondContact O-N 3.32Å; W194-I197 HydrophobicContact CE3-CD1 4.22Å; W194-I197 PolarHBondContact O-N 2.96Å; W194-F198 WeakPolarHBondContact O-CB 3.49Å; W194-F198 PolarHBondContact O-N 2.89Å
195K95.2Very high92.7Very high176 Ų17696.1 Ų96.177%0.76546%0.463SS*.Hα-helixtrans-57.3-40.2174.6-64.8-175.6179.6-178.60112.2P193 F198 V199P193-K195 PolarHBondContact O-N 2.83Å; P193-K195 VanDerWaalsContact O-N 3.16Å; K195-F198 PolarHBondContact O-N 2.8Å; K195-V199 WeakPolarHBondContact O-CB 3.18Å; K195-V199 WeakPolarHBondContact O-CG2 3.48Å; K195-V199 PolarHBondContact O-N 3.35Å
196V93.6Very high92.9Very high56 Ų5697.7 Ų97.734%0.33947%0.474SS..Hα-helixtrans-67.3-46.1-179.9177.90000110.3L181 P193 W194 F198 V199 F200L181-V196 HydrophobicContact CD1-CG1 4.11Å; P193-V196 HydrophobicContact CB-CG2 4.14Å; P193-V196 HydrophobicContact CG-CG2 4.09Å; P193-V196 WeakPolarHBondContact O-CB 3.24Å; P193-V196 PolarHBondContact O-N 3.15Å; W194-V196 VanDerWaalsContact C-N 3.28Å; W194-V196 PolarHBondContact O-N 3.32Å; V196-F198 VanDerWaalsContact C-N 3.34Å; V196-F198 PolarHBondContact O-N 3.25Å; V196-V199 PolarHBondContact O-N 3.39Å; V196-F200 HydrophobicContact CG1-CD2 3.77Å; V196-F200 HydrophobicContact CG1-CE2 3.59Å; V196-F200 WeakPolarHBondContact O-CD2 3.28Å; V196-F200 PolarHBondContact O-N 3.23Å
197I93.9Very high93.1Very high12 Ų1293.8 Ų93.86%0.06246%0.457CS..Hα-helixtrans-60-45.5176.5-63.5161.8000110.5P178 L181 L182 K185 V192 W194 F200 A201P178-I197 HydrophobicContact CB-CG2 4.06Å; L181-I197 HydrophobicContact CB-CG1 3.89Å; L181-I197 HydrophobicContact CD1-CG1 4.46Å; L182-I197 HydrophobicContact CD2-CD1 3.91Å; L182-I197 HydrophobicContact CD2-CG2 4.32Å; K185-I197 HydrophobicContact CD-CD1 4.3Å; K185-I197 HydrophobicContact CG-CD1 4.32Å; V192-I197 HydrophobicContact CG1-CD1 4.03Å; V192-I197 HydrophobicContact CG1-CG1 3.99Å; W194-I197 HydrophobicContact CE3-CD1 4.22Å; W194-I197 PolarHBondContact O-N 2.96Å; I197-F200 PolarHBondContact O-N 2.81Å; I197-A201 WeakPolarHBondContact O-CB 3.24Å; I197-A201 PolarHBondContact O-N 3.27Å
198F96.3Very high93.3Very high139 Ų13994.2 Ų94.261%0.6145%0.45SS*.Hα-helixtrans-62.7-42.8178.1-177.3-94000112.4W194 K195 V196 A201 L202W194-F198 WeakPolarHBondContact O-CB 3.49Å; W194-F198 PolarHBondContact O-N 2.89Å; K195-F198 PolarHBondContact O-N 2.8Å; V196-F198 VanDerWaalsContact C-N 3.34Å; V196-F198 PolarHBondContact O-N 3.25Å; F198-A201 PolarHBondContact O-N 2.97Å; F198-L202 HydrophobicContact CE1-CD2 4.27Å; F198-L202 VanDerWaalsContact O-CB 3.31Å; F198-L202 WeakPolarHBondContact O-CB 3.49Å; F198-L202 PolarHBondContact O-N 2.96Å
199V96.3Very high93.6Very high75 Ų7585.7 Ų85.746%0.45542%0.423SS..Hα-helixtrans-60.7-46.7177.1167.10000110.9K195 V196 L202 L203K195-V199 WeakPolarHBondContact O-CB 3.18Å; K195-V199 WeakPolarHBondContact O-CG2 3.48Å; K195-V199 PolarHBondContact O-N 3.35Å; V196-V199 PolarHBondContact O-N 3.39Å; V199-L202 PolarHBondContact O-N 2.85Å; V199-L203 HydrophobicContact CG1-CD1 4.05Å; V199-L203 HydrophobicContact CG1-CG 4.46Å; V199-L203 WeakPolarHBondContact O-CB 3.49Å; V199-L203 VanDerWaalsContact O-CG 3.31Å; V199-L203 WeakPolarHBondContact O-CG 3.48Å; V199-L203 PolarHBondContact O-N 3.43Å
200F96Very high93.7Very high76 Ų7680.6 Ų80.633%0.33342%0.416SS..Hα-helixtrans-66.3-38.9177.5-77.2-67.3000112.8V177 P178 L181 V196 I197 L203 A204V177-F200 HydrophobicContact CG1-CB 4.23Å; V177-F200 HydrophobicContact CG1-CD1 3.8Å; V177-F200 HydrophobicContact CG1-CD2 4.11Å; V177-F200 HydrophobicContact CG1-CE1 4.14Å; V177-F200 HydrophobicContact CG1-CE2 4.43Å; V177-F200 HydrophobicContact CG1-CG 3.79Å; V177-F200 HydrophobicContact CG1-CZ 4.45Å; P178-F200 HydrophobicContact CB-CB 4.42Å; L181-F200 HydrophobicContact CD1-CD2 3.58Å; L181-F200 HydrophobicContact CD1-CE2 4Å; L181-F200 HydrophobicContact CD1-CG 4.45Å; V196-F200 HydrophobicContact CG1-CD2 3.77Å; V196-F200 HydrophobicContact CG1-CE2 3.59Å; V196-F200 WeakPolarHBondContact O-CD2 3.28Å; V196-F200 PolarHBondContact O-N 3.23Å; I197-F200 PolarHBondContact O-N 2.81Å; F200-L203 HydrophobicContact CD1-CD1 4.46Å; F200-L203 PolarHBondContact O-N 3.09Å; F200-A204 WeakPolarHBondContact O-CB 2.98Å; F200-A204 PolarHBondContact O-N 2.96Å
201A95.8Very high93.9Very high43 Ų4375.5 Ų75.536%0.35539%0.393SS..Hα-helixtrans-62.6-42.217400000111.9P178 I197 F198 A204 F205P178-A201 HydrophobicContact CB-CB 4.27Å; P178-A201 HydrophobicContact CG-CB 4.36Å; I197-A201 WeakPolarHBondContact O-CB 3.24Å; I197-A201 PolarHBondContact O-N 3.27Å; F198-A201 PolarHBondContact O-N 2.97Å; A201-A204 PolarHBondContact O-N 2.72Å; A201-F205 WeakPolarHBondContact O-CB 3.45Å; A201-F205 PolarHBondContact O-N 2.93Å
202L96.4Very high94.1Very high75 Ų7574.5 Ų74.539%0.39337%0.372SS..Hα-helixtrans-64.7-43.7175.7-179.663000111.3F198 V199 A204 F205 L206F198-L202 HydrophobicContact CE1-CD2 4.27Å; F198-L202 VanDerWaalsContact O-CB 3.31Å; F198-L202 WeakPolarHBondContact O-CB 3.49Å; F198-L202 PolarHBondContact O-N 2.96Å; V199-L202 PolarHBondContact O-N 2.85Å; L202-A204 VanDerWaalsContact C-N 3.34Å; L202-A204 PolarHBondContact O-N 3.37Å; L202-F205 PolarHBondContact O-N 2.95Å; L202-L206 HydrophobicContact CD1-CD1 4.14Å; L202-L206 HydrophobicContact CD1-CG 4.05Å; L202-L206 HydrophobicContact CG-CD1 3.92Å; L202-L206 HydrophobicContact CG-CG 4.25Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.27Å; L202-L206 WeakPolarHBondContact O-CG 2.88Å; L202-L206 PolarHBondContact O-N 2.69Å
203L95.8Very high93.9Very high90 Ų9076.6 Ų76.647%0.47139%0.387SS..Hα-helixtrans-61.3-42.2175.6-73.1172.6000111.9V199 F200 L206 F207V199-L203 HydrophobicContact CG1-CD1 4.05Å; V199-L203 HydrophobicContact CG1-CG 4.46Å; V199-L203 WeakPolarHBondContact O-CB 3.49Å; V199-L203 VanDerWaalsContact O-CG 3.31Å; V199-L203 WeakPolarHBondContact O-CG 3.48Å; V199-L203 PolarHBondContact O-N 3.43Å; F200-L203 HydrophobicContact CD1-CD1 4.46Å; F200-L203 PolarHBondContact O-N 3.09Å; L203-L206 PolarHBondContact O-N 2.85Å; L203-F207 VanDerWaalsContact O-CB 3.24Å; L203-F207 WeakPolarHBondContact O-CB 3.42Å; L203-F207 PolarHBondContact O-N 3.48Å
204A95.4Very high93.3Very high9 Ų974.8 Ų74.87%0.07438%0.376CS..Hα-helixtrans-60.2-45.9174.600000111.4I174 A175 F200 A201 L202 F207 F208I174-A204 HydrophobicContact CG2-CB 3.77Å; A175-A204 HydrophobicContact CB-CB 4.37Å; F200-A204 WeakPolarHBondContact O-CB 2.98Å; F200-A204 PolarHBondContact O-N 2.96Å; A201-A204 PolarHBondContact O-N 2.72Å; L202-A204 VanDerWaalsContact C-N 3.34Å; L202-A204 PolarHBondContact O-N 3.37Å; A204-F207 PolarHBondContact O-N 3.26Å; A204-F208 WeakPolarHBondContact O-CB 3.07Å; A204-F208 PolarHBondContact O-N 3.01Å
205F96.3Very high93Very high128 Ų12868.7 Ų68.756%0.56135%0.353SS*.Hα-helixtrans-64.9-46178.6179.5-100.8000112.3A201 L202 F208 T209A201-F205 WeakPolarHBondContact O-CB 3.45Å; A201-F205 PolarHBondContact O-N 2.93Å; L202-F205 PolarHBondContact O-N 2.95Å; F205-F208 PolarHBondContact O-N 2.64Å; F205-T209 HydrophobicContact CD1-CG2 4.25Å; F205-T209 HydrophobicContact CD2-CG2 4.17Å; F205-T209 HydrophobicContact CE1-CG2 3.85Å; F205-T209 HydrophobicContact CE2-CG2 3.76Å; F205-T209 HydrophobicContact CG-CG2 4.41Å; F205-T209 HydrophobicContact CZ-CG2 3.59Å; F205-T209 WeakPolarHBondContact O-CB 3.49Å; F205-T209 VanDerWaalsContact O-CG2 3.31Å; F205-T209 WeakPolarHBondContact O-CG2 3.43Å; F205-T209 PolarHBondContact O-N 2.9Å; F205-T209 PolarHBondContact O-OG1 2.87Å
206L95.8Very high92.5Very high90 Ų9061.8 Ų61.847%0.47133%0.332SS..Hα-helixtrans-64.1-40.5177.2-70.8176.3000111.6L202 L203 T209 S210L202-L206 HydrophobicContact CD1-CD1 4.14Å; L202-L206 HydrophobicContact CD1-CG 4.05Å; L202-L206 HydrophobicContact CG-CD1 3.92Å; L202-L206 HydrophobicContact CG-CG 4.25Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.27Å; L202-L206 WeakPolarHBondContact O-CG 2.88Å; L202-L206 PolarHBondContact O-N 2.69Å; L203-L206 PolarHBondContact O-N 2.85Å; L206-T209 WeakPolarHBondContact CA-OG1 3.43Å; L206-T209 PolarHBondContact O-OG1 2.87Å; L206-S210 WeakPolarHBondContact O-CB 3.27Å; L206-S210 PolarHBondContact O-N 2.83Å
207F94.9Very high92.2Very high66 Ų6661.2 Ų61.229%0.28933%0.325SS..Hα-helixtrans-61.8-51174.7-180-99.1000111.2L167 T171 I174 L203 A204 S210 W211L167-F207 HydrophobicContact CD2-CZ 3.99Å; T171-F207 WeakPolarHBondContact OG1-CE1 3.13Å; I174-F207 HydrophobicContact CD1-CB 4.45Å; I174-F207 HydrophobicContact CD1-CD1 3.8Å; I174-F207 HydrophobicContact CD1-CD2 4.27Å; I174-F207 HydrophobicContact CD1-CE1 4.06Å; I174-F207 HydrophobicContact CD1-CE2 4.5Å; I174-F207 HydrophobicContact CD1-CG 3.91Å; I174-F207 HydrophobicContact CD1-CZ 4.4Å; L203-F207 VanDerWaalsContact O-CB 3.24Å; L203-F207 WeakPolarHBondContact O-CB 3.42Å; L203-F207 PolarHBondContact O-N 3.48Å; A204-F207 PolarHBondContact O-N 3.26Å; F207-S210 PolarHBondContact O-N 2.93Å; F207-W211 AromaticContact CE1-CD1 3.85Å; F207-W211 PolarHBondContact O-N 2.78Å
208F94.8Very high92Very high56 Ų5660.8 Ų60.825%0.24632%0.323CS..Hα-helixtrans-57.5-53.5178174.2-108000111.9W168 T171 A204 F205 S210 W211 Y212W168-F208 AromaticContact CH2-CE2 3.85Å; W168-F208 HydrophobicContact CH2-CE2 3.85Å; W168-F208 HydrophobicContact CH2-CZ 4.46Å; W168-F208 HydrophobicContact CZ2-CE2 4.27Å; W168-F208 HydrophobicContact CZ3-CE2 4.17Å; T171-F208 HydrophobicContact CG2-CB 3.8Å; T171-F208 HydrophobicContact CG2-CD2 3.8Å; T171-F208 HydrophobicContact CG2-CG 4.16Å; A204-F208 WeakPolarHBondContact O-CB 3.07Å; A204-F208 PolarHBondContact O-N 3.01Å; F205-F208 PolarHBondContact O-N 2.64Å; F208-S210 VanDerWaalsContact C-N 3.31Å; F208-S210 PolarHBondContact O-N 2.96Å; F208-W211 AromaticContact CD2-CE2 3.97Å; F208-W211 AromaticContact CD2-CZ2 3.68Å; F208-W211 HydrophobicContact CD2-CZ2 3.68Å; F208-W211 AromaticContact CD2-NE1 3.96Å; F208-W211 HydrophobicContact CE2-CH2 4.29Å; F208-W211 AromaticContact CE2-CZ2 3.75Å; F208-W211 HydrophobicContact CE2-CZ2 3.75Å; F208-W211 PolarHBondContact O-N 3.29Å; F208-Y212 HydrophobicContact CE1-CG 4.23Å; F208-Y212 AromaticContact CE2-CD2 3.89Å; F208-Y212 HydrophobicContact CE2-CD2 3.89Å; F208-Y212 HydrophobicContact CE2-CG 4.18Å; F208-Y212 HydrophobicContact CZ-CD1 4.45Å; F208-Y212 AromaticContact CZ-CD2 3.67Å; F208-Y212 HydrophobicContact CZ-CD2 3.67Å; F208-Y212 HydrophobicContact CZ-CE2 4.22Å; F208-Y212 AromaticContact CZ-CG 3.79Å; F208-Y212 HydrophobicContact CZ-CG 3.79Å; F208-Y212 WeakPolarHBondContact O-CB 3.27Å; F208-Y212 PolarHBondContact O-N 2.66Å
209T92.3Very high91.7Very high48 Ų4858.4 Ų58.429%0.29431%0.31SS..Hα-helixtrans-62.4-38.4-177.750.20000112.2F205 L206 S213F205-T209 HydrophobicContact CD1-CG2 4.25Å; F205-T209 HydrophobicContact CD2-CG2 4.17Å; F205-T209 HydrophobicContact CE1-CG2 3.85Å; F205-T209 HydrophobicContact CE2-CG2 3.76Å; F205-T209 HydrophobicContact CG-CG2 4.41Å; F205-T209 HydrophobicContact CZ-CG2 3.59Å; F205-T209 WeakPolarHBondContact O-CB 3.49Å; F205-T209 VanDerWaalsContact O-CG2 3.31Å; F205-T209 WeakPolarHBondContact O-CG2 3.43Å; F205-T209 PolarHBondContact O-N 2.9Å; F205-T209 PolarHBondContact O-OG1 2.87Å; L206-T209 WeakPolarHBondContact CA-OG1 3.43Å; L206-T209 PolarHBondContact O-OG1 2.87Å; T209-S213 WeakPolarHBondContact O-CB 3.45Å; T209-S213 PolarHBondContact O-N 2.54Å; T209-S213 PolarHBondContact O-OG 3.39Å
210S90.4Very high91.4Very high80 Ų8060.3 Ų60.356%0.55931%0.309SS*.Hα-helixtrans-56.8-56.7176.8176.20000111.6L206 F207 F208 S213L206-S210 WeakPolarHBondContact O-CB 3.27Å; L206-S210 PolarHBondContact O-N 2.83Å; F207-S210 PolarHBondContact O-N 2.93Å; F208-S210 VanDerWaalsContact C-N 3.31Å; F208-S210 PolarHBondContact O-N 2.96Å; S210-S213 PolarHBondContact O-OG 3.11Å
211W89.6Confident91.2Very high15 Ų1556.9 Ų56.96%0.05729%0.294CS..Hα-helixtrans-76.7-35.2-178.178.8-103.5000112.5L167 W168 T171 F207 F208 S213 S214 Y215L167-W211 HydrophobicContact CB-CD2 3.81Å; L167-W211 HydrophobicContact CB-CE3 4.18Å; L167-W211 HydrophobicContact CB-CG 3.98Å; L167-W211 HydrophobicContact CD1-CB 3.92Å; L167-W211 HydrophobicContact CD1-CD2 4.18Å; L167-W211 HydrophobicContact CD1-CE3 4.12Å; L167-W211 HydrophobicContact CD1-CG 4.09Å; L167-W211 HydrophobicContact CD2-CB 4.03Å; L167-W211 HydrophobicContact CD2-CG 4.09Å; L167-W211 HydrophobicContact CG-CB 4.42Å; L167-W211 HydrophobicContact CG-CD2 4.47Å; L167-W211 HydrophobicContact CG-CG 4.28Å; W168-W211 AromaticContact CD1-CH2 3.6Å; W168-W211 AromaticContact CD2-CH2 3.9Å; W168-W211 HydrophobicContact CD2-CH2 3.9Å; W168-W211 AromaticContact CD2-CZ2 3.9Å; W168-W211 HydrophobicContact CD2-CZ2 3.9Å; W168-W211 AromaticContact CE2-CH2 3.49Å; W168-W211 VanDerWaalsContact CE2-CH2 3.49Å; W168-W211 AromaticContact CE2-CZ2 3.92Å; W168-W211 HydrophobicContact CE3-CZ2 4.4Å; W168-W211 AromaticContact CG-CH2 3.98Å; W168-W211 HydrophobicContact CG-CH2 3.98Å; W168-W211 HydrophobicContact CG-CZ2 4.08Å; W168-W211 HydrophobicContact CZ2-CH2 4.02Å; W168-W211 HydrophobicContact CZ2-CZ2 4.41Å; W168-W211 AromaticContact NE1-CH2 3.32Å; W168-W211 VanDerWaalsContact NE1-CH2 3.32Å; T171-W211 PolarHBondContact OG1-NE1 2.97Å; F207-W211 AromaticContact CE1-CD1 3.85Å; F207-W211 PolarHBondContact O-N 2.78Å; F208-W211 AromaticContact CD2-CE2 3.97Å; F208-W211 AromaticContact CD2-CZ2 3.68Å; F208-W211 HydrophobicContact CD2-CZ2 3.68Å; F208-W211 AromaticContact CD2-NE1 3.96Å; F208-W211 HydrophobicContact CE2-CH2 4.29Å; F208-W211 AromaticContact CE2-CZ2 3.75Å; F208-W211 HydrophobicContact CE2-CZ2 3.75Å; F208-W211 PolarHBondContact O-N 3.29Å; W211-S213 VanDerWaalsContact C-N 3.28Å; W211-S213 PolarHBondContact O-N 2.71Å; W211-S214 PolarHBondContact O-N 3.32Å; W211-S214 VanDerWaalsContact O-N 3.16Å; W211-Y215 HydrophobicContact CE3-CD2 4.12Å; W211-Y215 WeakPolarHBondContact O-CD2 3.21Å; W211-Y215 PolarHBondContact O-N 3.3Å
212Y90.1Very high91.1Very high98 Ų9855 Ų5538%0.38428%0.278SS..Hα-helixtrans-64.5-34.9178.6-174.5-93.1000111.2F208 S214 Y215 G216F208-Y212 HydrophobicContact CE1-CG 4.23Å; F208-Y212 AromaticContact CE2-CD2 3.89Å; F208-Y212 HydrophobicContact CE2-CD2 3.89Å; F208-Y212 HydrophobicContact CE2-CG 4.18Å; F208-Y212 HydrophobicContact CZ-CD1 4.45Å; F208-Y212 AromaticContact CZ-CD2 3.67Å; F208-Y212 HydrophobicContact CZ-CD2 3.67Å; F208-Y212 HydrophobicContact CZ-CE2 4.22Å; F208-Y212 AromaticContact CZ-CG 3.79Å; F208-Y212 HydrophobicContact CZ-CG 3.79Å; F208-Y212 WeakPolarHBondContact O-CB 3.27Å; F208-Y212 PolarHBondContact O-N 2.66Å; Y212-S214 PolarHBondContact O-N 3.02Å; Y212-Y215 PolarHBondContact O-N 2.96Å; Y212-G216 WeakPolarHBondContact O-CA 3.24Å; Y212-G216 PolarHBondContact O-N 3.38Å
213S85.3Confident90.9Very high52 Ų5251.5 Ų51.536%0.36426%0.26SS..Hα-helixtrans-57.1-35.9175.473.30000112.1T209 S210 W211 W221T209-S213 WeakPolarHBondContact O-CB 3.45Å; T209-S213 PolarHBondContact O-N 2.54Å; T209-S213 PolarHBondContact O-OG 3.39Å; S210-S213 PolarHBondContact O-OG 3.11Å; W211-S213 VanDerWaalsContact C-N 3.28Å; W211-S213 PolarHBondContact O-N 2.71Å; S213-W221 WeakPolarHBondContact O-CH2 3.49Å; S213-W221 WeakPolarHBondContact O-CZ3 3.41Å
214S82Confident90.9Very high32 Ų3247.3 Ų47.322%0.22424%0.238CC..Hα-helixtrans-76.4-27.2-179.7-56.20000114.4W85 W211 Y212W85-S214 VanDerWaalsContact CH2-O 3.23Å; W85-S214 WeakPolarHBondContact CH2-O 3.05Å; W211-S214 PolarHBondContact O-N 3.32Å; W211-S214 VanDerWaalsContact O-N 3.16Å; Y212-S214 PolarHBondContact O-N 3.02Å
215Y86.2Confident91Very high26 Ų2646.9 Ų46.910%0.10223%0.234CC..Hα-helixtrans-119.8-19.7-172.4-64.6-78.5000114.9W85 H160 L163 R164 L167 W211 Y212 F217 T218W85-Y215 AromaticContact CH2-CD1 3.82Å; W85-Y215 HydrophobicContact CH2-CD1 3.82Å; W85-Y215 AromaticContact CH2-CE1 3.93Å; W85-Y215 HydrophobicContact CH2-CE1 3.93Å; W85-Y215 HydrophobicContact CZ2-CD1 4.02Å; W85-Y215 AromaticContact CZ2-CE1 3.62Å; W85-Y215 HydrophobicContact CZ2-CE1 3.62Å; H160-Y215 HydrophobicContact CB-CE1 3.84Å; H160-Y215 AromaticContact ND1-CE1 3.6Å; H160-Y215 AromaticContact ND1-CZ 3.66Å; H160-Y215 PolarHBondContact ND1-OH 3.44Å; L163-Y215 WeakPolarHBondContact CD2-OH 3.07Å; R164-Y215 HydrophobicContact CG-CD1 3.97Å; R164-Y215 HydrophobicContact CG-CD2 4.27Å; R164-Y215 HydrophobicContact CG-CE1 4.21Å; R164-Y215 HydrophobicContact CG-CG 4Å; L167-Y215 HydrophobicContact CD1-CE2 4.11Å; W211-Y215 HydrophobicContact CE3-CD2 4.12Å; W211-Y215 WeakPolarHBondContact O-CD2 3.21Å; W211-Y215 PolarHBondContact O-N 3.3Å; Y212-Y215 PolarHBondContact O-N 2.96Å; Y215-F217 PolarHBondContact O-N 3.35Å; Y215-T218 PolarHBondContact O-N 3.43Å; Y215-T218 PolarHBondContact O-OG1 2.89Å
216G84.6Confident91Very high32 Ų3240.8 Ų40.833%0.3321%0.207SC..THydrogen-bonded Turntrans-66.6-21.2-17700000113.1Y212Y212-G216 WeakPolarHBondContact O-CA 3.24Å; Y212-G216 PolarHBondContact O-N 3.38Å
217F88.5Confident91.1Very high44 Ų4438.6 Ų38.619%0.19319%0.193CC..THydrogen-bonded Turntrans-111.69.6-178-58.6-79.8000113.8Y215 R219 R220 W221 F548Y215-F217 PolarHBondContact O-N 3.35Å; F217-R219 VanDerWaalsContact C-N 3.26Å; F217-R219 PolarHBondContact O-N 3.13Å; F217-R219 VanDerWaalsContact O-N 3.14Å; F217-R220 WeakPolarHBondContact O-CA 3.18Å; F217-R220 PolarHBondContact O-N 3.09Å; F217-W221 HydrophobicContact CB-CD2 3.52Å; F217-W221 HydrophobicContact CB-CE3 3.82Å; F217-W221 HydrophobicContact CB-CG 4.11Å; F217-W221 HydrophobicContact CB-CH2 3.87Å; F217-W221 HydrophobicContact CB-CZ2 3.56Å; F217-W221 HydrophobicContact CB-CZ3 3.97Å; F217-W221 AromaticContact CD2-CH2 3.78Å; F217-W221 HydrophobicContact CD2-CH2 3.78Å; F217-W221 AromaticContact CD2-CZ2 3.74Å; F217-W221 HydrophobicContact CD2-CZ2 3.74Å; F217-W221 HydrophobicContact CD2-CZ3 4.46Å; F217-W221 HydrophobicContact CG-CH2 4.2Å; F217-W221 AromaticContact CG-CZ2 3.84Å; F217-W221 HydrophobicContact CG-CZ2 3.84Å; F217-W221 WeakPolarHBondContact O-CB 3.26Å; F217-W221 PolarHBondContact O-N 3.27Å; F217-F548 HydrophobicContact CE1-CD1 4.19Å; F217-F548 HydrophobicContact CE1-CE1 4.12Å; F217-F548 HydrophobicContact CZ-CE1 4.13Å
218T89.1Confident91.3Very high3 Ų337.8 Ų37.82%0.01819%0.191CC..Hα-helixtrans-49.6-44.6-176.8-57.60000112.7W85 D150 L159 Y215 R220 W221 N222W85-T218 HydrophobicContact CZ3-CG2 4.44Å; D150-T218 HydrophobicContact CB-CG2 3.81Å; L159-T218 HydrophobicContact CD2-CG2 3.71Å; Y215-T218 PolarHBondContact O-N 3.43Å; Y215-T218 PolarHBondContact O-OG1 2.89Å; T218-R220 VanDerWaalsContact C-N 3.33Å; T218-R220 PolarHBondContact O-N 3.14Å; T218-W221 PolarHBondContact O-N 2.84Å; T218-N222 HydrophobicContact CG2-CB 4.47Å; T218-N222 PolarHBondContact O-N 3.05Å
219R89.8Confident91.4Very high88 Ų8838.9 Ų38.933%0.33220%0.197SC..Hα-helixtrans-56.2-46.1176.7-176.1176.1-176.7-163.53.9112.1D150 C151 F217 C223 P235 E238D150-R219 WeakPolarHBondContact O-CB 3.29Å; C151-R219 VanDerWaalsContact O-CD 3.29Å; C151-R219 WeakPolarHBondContact O-CD 3.34Å; C151-R219 PolarHBondContact O-NE 3.25Å; F217-R219 VanDerWaalsContact C-N 3.26Å; F217-R219 PolarHBondContact O-N 3.13Å; F217-R219 VanDerWaalsContact O-N 3.14Å; R219-C223 WeakPolarHBondContact O-CB 3.33Å; R219-C223 PolarHBondContact O-N 2.92Å; R219-P235 HydrophobicContact CG-CB 4.21Å; R219-E238 IonicContact CZ-OE1 3.25Å; R219-E238 IonicContact NE-OE1 2.97Å; R219-E238 PolarHBondContact NE-OE1 3.03Å; R219-E238 IonicContact NH2-OE1 3.1Å; R219-E238 PolarHBondContact NH2-OE1 2.86Å; R219-E238 IonicContact NH2-OE2 2.9Å; R219-E238 PolarHBondContact NH2-OE2 3.44Å
220R91.1Very high91.5Very high116 Ų11640.9 Ų40.944%0.43820%0.203SC..Hα-helixtrans-72-33.6179.8-61.7-176.6-163.3-120.10.6111.6F217 T218 Q234F217-R220 WeakPolarHBondContact O-CA 3.18Å; F217-R220 PolarHBondContact O-N 3.09Å; T218-R220 VanDerWaalsContact C-N 3.33Å; T218-R220 PolarHBondContact O-N 3.14Å; R220-Q234 WeakPolarHBondContact O-CG 3.32Å; R220-Q234 PolarHBondContact O-NE2 3.22Å
221W91.8Very high91.8Very high3 Ų337.9 Ų37.91%0.01118%0.181CC..Hα-helixtrans-86.6-36.8-171.3-72.7-11.3000114.4S213 F217 T218 W535 Q540 F546 P547S213-W221 WeakPolarHBondContact O-CH2 3.49Å; S213-W221 WeakPolarHBondContact O-CZ3 3.41Å; F217-W221 HydrophobicContact CB-CD2 3.52Å; F217-W221 HydrophobicContact CB-CE3 3.82Å; F217-W221 HydrophobicContact CB-CG 4.11Å; F217-W221 HydrophobicContact CB-CH2 3.87Å; F217-W221 HydrophobicContact CB-CZ2 3.56Å; F217-W221 HydrophobicContact CB-CZ3 3.97Å; F217-W221 AromaticContact CD2-CH2 3.78Å; F217-W221 HydrophobicContact CD2-CH2 3.78Å; F217-W221 AromaticContact CD2-CZ2 3.74Å; F217-W221 HydrophobicContact CD2-CZ2 3.74Å; F217-W221 HydrophobicContact CD2-CZ3 4.46Å; F217-W221 HydrophobicContact CG-CH2 4.2Å; F217-W221 AromaticContact CG-CZ2 3.84Å; F217-W221 HydrophobicContact CG-CZ2 3.84Å; F217-W221 WeakPolarHBondContact O-CB 3.26Å; F217-W221 PolarHBondContact O-N 3.27Å; T218-W221 PolarHBondContact O-N 2.84Å; W221-W535 HydrophobicContact CD2-CZ2 4.28Å; W221-W535 AromaticContact CE3-CE2 3.81Å; W221-W535 HydrophobicContact CE3-CH2 4.49Å; W221-W535 AromaticContact CE3-CZ2 3.7Å; W221-W535 HydrophobicContact CE3-CZ2 3.7Å; W221-W535 AromaticContact CE3-NE1 3.83Å; W221-W535 AromaticContact CH2-CH2 3.4Å; W221-W535 HydrophobicContact CH2-CH2 3.4Å; W221-W535 AromaticContact CH2-CZ2 3.28Å; W221-W535 HydrophobicContact CH2-CZ2 3.28Å; W221-W535 HydrophobicContact CH2-CZ3 4.38Å; W221-W535 HydrophobicContact CZ2-CH2 4.28Å; W221-W535 AromaticContact CZ2-CZ2 3.93Å; W221-W535 HydrophobicContact CZ2-CZ2 3.93Å; W221-W535 HydrophobicContact CZ3-CD2 4.34Å; W221-W535 AromaticContact CZ3-CE2 3.59Å; W221-W535 AromaticContact CZ3-CH2 3.54Å; W221-W535 HydrophobicContact CZ3-CH2 3.54Å; W221-W535 AromaticContact CZ3-CZ2 3.17Å; W221-W535 HydrophobicContact CZ3-CZ2 3.17Å; W221-W535 HydrophobicContact CZ3-CZ3 4.26Å; W221-Q540 VanDerWaalsContact CB-CD 3.48Å; W221-Q540 HydrophobicContact CB-CG 4.33Å; W221-Q540 VanDerWaalsContact CB-NE2 3.32Å; W221-Q540 HydrophobicContact CD2-CG 4.22Å; W221-Q540 HydrophobicContact CG-CG 3.9Å; W221-Q540 PolarHBondContact O-NE2 3.41Å; W221-F546 HydrophobicContact CZ2-CE2 4.05Å; W221-F546 HydrophobicContact CZ2-CZ 4.29Å; W221-P547 HydrophobicContact CZ2-CB 3.88Å; W221-P547 PolarHBondContact NE1-O 3.28Å; W221-P547 VanDerWaalsContact NE1-O 3.16Å
222N92.7Very high92.1Very high4 Ų437.1 Ų37.12%0.02118%0.178CC..Hα-helixtrans-102.2-25.2-176.2-74.4-11.9000113.3T84 L86 T218 I224T84-N222 PolarHBondContact O-ND2 2.63Å; L86-N222 WeakPolarHBondContact CD1-O 3.3Å; L86-N222 PolarHBondContact N-OD1 3.46Å; T218-N222 HydrophobicContact CG2-CB 4.47Å; T218-N222 PolarHBondContact O-N 3.05Å; N222-I224 PolarHBondContact O-N 2.78Å
223C93.4Very high92.4Very high2 Ų232.7 Ų32.71%0.01416%0.161CC..  trans-97.980.8-177-45.30000109.5C151 R219 P235 M236C151-C223 WeakPolarHBondContact CA-SG 3.41Å; C151-C223 HydrophobicContact CB-CB 3.82Å; C151-C223 WeakPolarHBondContact CB-SG 3.45Å; C151-C223 WeakPolarHBondContact SG-CB 3.27Å; C151-C223 CovalentContact SG-SG 2.04Å; C151-C223 PolarHBondContact SG-SG 3.03Å; R219-C223 WeakPolarHBondContact O-CB 3.33Å; R219-C223 PolarHBondContact O-N 2.92Å; C223-P235 WeakPolarHBondContact O-CA 2.95Å; C223-M236 WeakPolarHBondContact O-CB 3.28Å; C223-M236 PolarHBondContact O-N 2.98Å
224I95.4Very high92.8Very high1 Ų130.4 Ų30.41%0.00514%0.144CC..  trans-122147.7-179.674.4178.3000110.8L86 P144 N222 M226 I231 Q233 Q234 P541L86-I224 HydrophobicContact CD1-CD1 3.59Å; L86-I224 HydrophobicContact CD1-CG1 3.62Å; P144-I224 HydrophobicContact CG-CD1 3.92Å; P144-I224 HydrophobicContact CG-CG1 3.83Å; N222-I224 PolarHBondContact O-N 2.78Å; I224-M226 HydrophobicContact CD1-CG 4.01Å; I224-M226 HydrophobicContact CD1-SD 3.92Å; I224-M226 HydrophobicContact CG1-CG 4.19Å; I224-I231 HydrophobicContact CB-CG2 4.2Å; I224-I231 HydrophobicContact CD1-CD1 4.13Å; I224-I231 HydrophobicContact CD1-CG1 4.15Å; I224-Q233 WeakPolarHBondContact CA-O 3.38Å; I224-Q234 HydrophobicContact CG2-CB 4.31Å; I224-Q234 HydrophobicContact CG2-CG 3.82Å; I224-P541 HydrophobicContact CD1-CB 4.04Å; I224-P541 HydrophobicContact CD1-CG 3.92Å
225L96.5Very high93.4Very high0 Ų030.8 Ų30.80%015%0.146CC..EExtended strand (participates in β ladder)trans-107.7131.3170.7-171.463.4000108.8Y141 V143 I232 Q233 M236 V241 L244Y141-L225 HydrophobicContact CE1-CD1 4.19Å; Y141-L225 WeakPolarHBondContact OH-CD2 3.44Å; V143-L225 HydrophobicContact CG1-CD1 4.4Å; L225-I232 HydrophobicContact CB-CD1 4.48Å; L225-I232 HydrophobicContact CB-CG1 4.15Å; L225-I232 HydrophobicContact CD2-CD1 3.84Å; L225-I232 HydrophobicContact CD2-CG1 4.28Å; L225-I232 HydrophobicContact CG-CD1 3.7Å; L225-I232 HydrophobicContact CG-CG1 3.92Å; L225-I232 WeakPolarHBondContact O-CG1 3.49Å; L225-I232 PolarHBondContact O-N 3.49Å; L225-Q233 HydrophobicContact CB-CB 3.82Å; L225-Q233 HydrophobicContact CD2-CB 4.26Å; L225-Q233 PolarHBondContact N-O 3.45Å; L225-Q233 PolarHBondContact O-N 3.44Å; L225-M236 HydrophobicContact CB-CB 4.48Å; L225-M236 HydrophobicContact CB-CG 4.11Å; L225-M236 HydrophobicContact CB-SD 4.38Å; L225-V241 HydrophobicContact CD1-CG1 4.36Å; L225-L244 HydrophobicContact CD2-CD1 4.31Å
226M97.3Very high93.7Very high0 Ų029.6 Ų29.60%014%0.142CC..EExtended strand (participates in β ladder)trans-121.6145.7-178.2-66.3-174.573.500111.4L120 F140 Y141 G142 P144 I224 H229 E230 I231L120-M226 HydrophobicContact CD1-CE 4.28Å; L120-M226 HydrophobicContact CD1-SD 4.09Å; L120-M226 HydrophobicContact CD2-SD 4.42Å; F140-M226 HydrophobicContact CD1-CB 4.33Å; F140-M226 HydrophobicContact CE1-CB 3.87Å; Y141-M226 WeakPolarHBondContact CA-O 3.49Å; G142-M226 PolarHBondContact N-O 3.35Å; G142-M226 PolarHBondContact O-N 2.73Å; P144-M226 HydrophobicContact CB-SD 4.19Å; P144-M226 HydrophobicContact CG-CG 4.31Å; P144-M226 HydrophobicContact CG-SD 3.62Å; I224-M226 HydrophobicContact CD1-CG 4.01Å; I224-M226 HydrophobicContact CD1-SD 3.92Å; I224-M226 HydrophobicContact CG1-CG 4.19Å; M226-H229 WeakPolarHBondContact CE-O 3.44Å; M226-E230 CarbonylContact C-O 3.54Å; M226-E230 WeakPolarHBondContact CA-O 3.24Å; M226-I231 HydrophobicContact CE-CG1 4.42Å; M226-I231 HydrophobicContact CG-CG1 4.26Å
227R97.8Very high94Very high44 Ų4431.8 Ų31.817%0.16614%0.142CC..EExtended strand (participates in β ladder)trans-121.1110.9166.6-176.1-178.6-64.4-136.7-9.4107Y139 F140 Y141 H229 E230 I232 E248 E554 I557Y139-R227 HydrophobicContact CE2-CG 4.39Å; F140-R227 CarbonylContact O-C 3.48Å; F140-R227 WeakPolarHBondContact O-CA 3.34Å; Y141-R227 HydrophobicContact CD2-CB 4.26Å; Y141-R227 HydrophobicContact CD2-CG 4.32Å; R227-H229 PolarHBondContact O-N 2.94Å; R227-E230 PolarHBondContact N-O 2.02Å; R227-E230 PolarHBondContact O-N 3.02Å; R227-I232 HydrophobicContact CB-CD1 3.95Å; R227-I232 HydrophobicContact CB-CG1 4.34Å; R227-I232 HydrophobicContact CB-CG2 3.71Å; R227-E248 IonicContact CZ-OE1 3.03Å; R227-E248 IonicContact NH1-OE1 2.68Å; R227-E248 IonicContact NH2-OE1 3.65Å; R227-E248 PolarHBondContact NH2-OE1 3.43Å; R227-E554 IonicContact NH2-OE1 3.74Å; R227-E554 PolarHBondContact NH2-OE1 3.17Å; R227-E554 IonicContact NH2-OE2 2.76Å; R227-E554 PolarHBondContact NH2-OE2 2.92Å; R227-I557 VanDerWaalsContact NH1-CG2 3.31Å
228N97.7Very high94.1Very high49 Ų4930.9 Ų30.926%0.26214%0.138SC..THydrogen-bonded Turntrans49.6-131.7-166.6-55.1-44.3000109.4H131 L133 Y139 F140 E230H131-N228 PolarHBondContact CE1-O 2.82Å; H131-N228 PolarHBondContact NE2-O 3.01Å; L133-N228 HydrophobicContact CD2-CB 3.79Å; Y139-N228 WeakPolarHBondContact CD2-OD1 3.21Å; F140-N228 PolarHBondContact N-OD1 3.3Å; F140-N228 VanDerWaalsContact N-OD1 3.09Å; F140-N228 PolarHBondContact O-N 3.34Å; N228-E230 VanDerWaalsContact C-N 3.27Å; N228-E230 PolarHBondContact O-N 3.01Å
229H96.9Very high94Very high80 Ų8038.2 Ų38.237%0.3717%0.172SC..THydrogen-bonded Turntrans-77.8-5.8179.8-66.9-66.2000114.7H128 H131 M226 R227H128-H229 PolarHBondContact CE1-O 2.94Å; H128-H229 VanDerWaalsContact CE1-O 3.27Å; H128-H229 AromaticContact CG-ND1 3.59Å; H128-H229 AromaticContact ND1-CG 3.6Å; H128-H229 AromaticContact ND1-ND1 3Å; H128-H229 PolarHBondContact ND1-ND1 3.02Å; H131-H229 AromaticContact CE1-CE1 3.88Å; H131-H229 AromaticContact CE1-ND1 3.72Å; H131-H229 AromaticContact CG-CE1 3.81Å; H131-H229 AromaticContact CG-ND1 3.75Å; H131-H229 AromaticContact ND1-CE1 3.34Å; H131-H229 PolarHBondContact ND1-CE1 2.68Å; H131-H229 VanDerWaalsContact ND1-CE1 3.34Å; H131-H229 AromaticContact ND1-ND1 3.52Å; M226-H229 WeakPolarHBondContact CE-O 3.44Å; R227-H229 PolarHBondContact O-N 2.94Å
230E96Very high94.1Very high89 Ų8938.5 Ų38.542%0.41618%0.176SC..EExtended strand (participates in β ladder)trans-95.2134.8-175.7-174170.9-166.700111.8M226 R227 N228 I232 K553M226-E230 CarbonylContact C-O 3.54Å; M226-E230 WeakPolarHBondContact CA-O 3.24Å; R227-E230 PolarHBondContact N-O 2.02Å; R227-E230 PolarHBondContact O-N 3.02Å; N228-E230 VanDerWaalsContact C-N 3.27Å; N228-E230 PolarHBondContact O-N 3.01Å; E230-I232 HydrophobicContact CG-CG2 4.48Å; E230-I232 PolarHBondContact O-N 2.94Å; E230-K553 WeakPolarHBondContact OE1-CD 3.2Å; E230-K553 IonicContact OE1-NZ 3.99Å; E230-K553 PolarHBondContact OE1-NZ 3.05Å
231I96.4Very high94.1Very high17 Ų1733 Ų339%0.08716%0.156CC..EExtended strand (participates in β ladder)trans-79.5113.2168.5-52.9174000107.7I224 M226 Q234 P541 C543 C551I224-I231 HydrophobicContact CB-CG2 4.2Å; I224-I231 HydrophobicContact CD1-CD1 4.13Å; I224-I231 HydrophobicContact CD1-CG1 4.15Å; M226-I231 HydrophobicContact CE-CG1 4.42Å; M226-I231 HydrophobicContact CG-CG1 4.26Å; I231-Q234 HydrophobicContact CG2-CB 3.91Å; I231-P541 HydrophobicContact CD1-CB 3.75Å; I231-C543 HydrophobicContact CB-CB 4.23Å; I231-C543 HydrophobicContact CG2-CB 4.12Å; I231-C551 PolarHBondContact O-SG 3.41Å
232I95.8Very high94.2Very high0 Ų033.4 Ų33.40%016%0.159CC..EExtended strand (participates in β ladder)trans-95.8-23.8-178.551166.5000112.1Y141 L225 R227 E230 K553 E554 I557Y141-I232 HydrophobicContact CD2-CD1 4.14Å; Y141-I232 HydrophobicContact CE2-CD1 3.4Å; Y141-I232 VanDerWaalsContact CE2-CD1 3.4Å; L225-I232 HydrophobicContact CB-CD1 4.48Å; L225-I232 HydrophobicContact CB-CG1 4.15Å; L225-I232 HydrophobicContact CD2-CD1 3.84Å; L225-I232 HydrophobicContact CD2-CG1 4.28Å; L225-I232 HydrophobicContact CG-CD1 3.7Å; L225-I232 HydrophobicContact CG-CG1 3.92Å; L225-I232 WeakPolarHBondContact O-CG1 3.49Å; L225-I232 PolarHBondContact O-N 3.49Å; R227-I232 HydrophobicContact CB-CD1 3.95Å; R227-I232 HydrophobicContact CB-CG1 4.34Å; R227-I232 HydrophobicContact CB-CG2 3.71Å; E230-I232 HydrophobicContact CG-CG2 4.48Å; E230-I232 PolarHBondContact O-N 2.94Å; I232-K553 PolarHBondContact O-N 2.87Å; I232-E554 WeakPolarHBondContact CD1-OE2 3.49Å; I232-I557 HydrophobicContact CG2-CD1 3.7Å
233Q95.4Very high94.3Very high4 Ų435.2 Ų35.22%0.01917%0.172CC..EExtended strand (participates in β ladder)trans-146.2126.2176.8-155.6171.652.100112I224 L225 K237 C551 D552I224-Q233 WeakPolarHBondContact CA-O 3.38Å; L225-Q233 HydrophobicContact CB-CB 3.82Å; L225-Q233 HydrophobicContact CD2-CB 4.26Å; L225-Q233 PolarHBondContact N-O 3.45Å; L225-Q233 PolarHBondContact O-N 3.44Å; Q233-K237 VanDerWaalsContact CD-N 3.34Å; Q233-K237 VanDerWaalsContact NE2-CD 3.31Å; Q233-K237 VanDerWaalsContact NE2-CG 3.29Å; Q233-C551 WeakPolarHBondContact CA-O 3.35Å; Q233-D552 PolarHBondContact NE2-OD1 3.37Å
234Q95.1Very high94.4Very high4 Ų436.1 Ų36.12%0.01918%0.177CC..EExtended strand (participates in β ladder)trans-150.3118.9179-172.9166.228.900110.5R220 I224 I231 P541 C543 C549 G550 C551R220-Q234 WeakPolarHBondContact O-CG 3.32Å; R220-Q234 PolarHBondContact O-NE2 3.22Å; I224-Q234 HydrophobicContact CG2-CB 4.31Å; I224-Q234 HydrophobicContact CG2-CG 3.82Å; I231-Q234 HydrophobicContact CG2-CB 3.91Å; Q234-P541 PolarHBondContact NE2-O 2.94Å; Q234-C543 HydrophobicContact CB-CB 4.35Å; Q234-C543 VanDerWaalsContact OE1-CB 3.3Å; Q234-C549 HydrophobicContact CG-CB 4.28Å; Q234-G550 CarbonylContact O-C 3.36Å; Q234-G550 WeakPolarHBondContact O-CA 3.36Å; Q234-C551 PolarHBondContact N-O 3.4Å; Q234-C551 PolarHBondContact O-N 3.44Å
235P93.2Very high94.5Very high41 Ų4136.1 Ų36.127%0.26618%0.177SC..SBendcis-61.4150.7-15.330.9-34.8000110.6R219 C223R219-P235 HydrophobicContact CG-CB 4.21Å; C223-P235 WeakPolarHBondContact O-CA 2.95Å
236M93.3Very high94.6Very high1 Ų136.7 Ų36.71%0.00518%0.18CC..  trans-58.4138.3174.3179.8177.576.500111.5V143 L147 C223 L225 E238 V241V143-M236 HydrophobicContact CG1-CE 4.23Å; V143-M236 HydrophobicContact CG1-SD 3.39Å; V143-M236 WeakPolarHBondContact CG1-SD 2.98Å; L147-M236 HydrophobicContact CD2-CE 3.62Å; C223-M236 WeakPolarHBondContact O-CB 3.28Å; C223-M236 PolarHBondContact O-N 2.98Å; L225-M236 HydrophobicContact CB-CB 4.48Å; L225-M236 HydrophobicContact CB-CG 4.11Å; L225-M236 HydrophobicContact CB-SD 4.38Å; M236-E238 HydrophobicContact CE-CG 4.08Å; M236-E238 PolarHBondContact O-N 3.42Å; M236-E238 VanDerWaalsContact O-OE1 3.09Å; M236-V241 HydrophobicContact CE-CG2 4.09Å; M236-V241 HydrophobicContact CG-CG2 3.27Å; M236-V241 HydrophobicContact SD-CB 4.37Å; M236-V241 HydrophobicContact SD-CG1 4.15Å; M236-V241 HydrophobicContact SD-CG2 3.4Å; M236-V241 WeakPolarHBondContact SD-CG2 3.42Å
237K91.9Very high94.6Very high78 Ų7841.9 Ų41.934%0.33920%0.202SC..  trans-8792.6173.2-69.1-177.2-168.2171.70109.4Q233 E239 K240 V241 D552Q233-K237 VanDerWaalsContact CD-N 3.34Å; Q233-K237 VanDerWaalsContact NE2-CD 3.31Å; Q233-K237 VanDerWaalsContact NE2-CG 3.29Å; K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 PolarHBondContact O-N 3.18Å; K237-K240 HydrophobicContact CD-CD 4.38Å; K237-K240 PolarHBondContact O-N 3.25Å; K237-V241 WeakPolarHBondContact O-CG2 3.06Å; K237-D552 WeakPolarHBondContact CE-OD2 3.5Å; K237-D552 IonicContact NZ-OD1 2.57Å; K237-D552 IonicContact NZ-OD2 2.8Å; K237-D552 PolarHBondContact NZ-OD2 3.17Å
238E89Confident94.6Very high25 Ų2540.4 Ų40.412%0.11720%0.197CC..Hα-helixtrans-62.1-34.4-161.6-49.282.8175.900113C151 R219 M236 K240 V241 I275C151-E238 HydrophobicContact CB-CG 4.21Å; R219-E238 IonicContact CZ-OE1 3.25Å; R219-E238 IonicContact NE-OE1 2.97Å; R219-E238 PolarHBondContact NE-OE1 3.03Å; R219-E238 IonicContact NH2-OE1 3.1Å; R219-E238 PolarHBondContact NH2-OE1 2.86Å; R219-E238 IonicContact NH2-OE2 2.9Å; R219-E238 PolarHBondContact NH2-OE2 3.44Å; M236-E238 HydrophobicContact CE-CG 4.08Å; M236-E238 PolarHBondContact O-N 3.42Å; M236-E238 VanDerWaalsContact O-OE1 3.09Å; E238-K240 VanDerWaalsContact C-N 3.27Å; E238-K240 PolarHBondContact O-N 3.27Å; E238-V241 PolarHBondContact O-N 3.06Å; E238-I275 HydrophobicContact CB-CD1 3.28Å; E238-I275 HydrophobicContact CG-CD1 4.04Å
239E87.9Confident94.6Very high157 Ų15738.1 Ų38.173%0.73419%0.185SC*.Hα-helixtrans-63.6-26.6177.4-63.1170.9-172.200113.9K237 I275K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 PolarHBondContact O-N 3.18Å; E239-I275 HydrophobicContact CG-CG2 4.4Å
240K90.6Very high94.7Very high94 Ų9436.7 Ų36.741%0.40918%0.18SC..Hα-helixtrans-91-23.8-178.3-68.2-169.6176.2-169.70112.9K237 E238 A242 S243 L244K237-K240 HydrophobicContact CD-CD 4.38Å; K237-K240 PolarHBondContact O-N 3.25Å; E238-K240 VanDerWaalsContact C-N 3.27Å; E238-K240 PolarHBondContact O-N 3.27Å; K240-A242 PolarHBondContact O-N 3.44Å; K240-S243 WeakPolarHBondContact O-CB 3.29Å; K240-S243 PolarHBondContact O-N 2.9Å; K240-S243 VanDerWaalsContact O-N 3.11Å; K240-L244 HydrophobicContact CB-CD1 4.09Å; K240-L244 WeakPolarHBondContact O-CG 3.19Å; K240-L244 PolarHBondContact O-N 2.72Å; K240-L244 VanDerWaalsContact O-N 3.11Å
241V92.3Very high94.8Very high1 Ų134.1 Ų34.11%0.00617%0.174CC..Hα-helixtrans-59.9-44.4-165.1175.90000112.6L225 M236 K237 E238 S243 L244 M245 L268L225-V241 HydrophobicContact CD1-CG1 4.36Å; M236-V241 HydrophobicContact CE-CG2 4.09Å; M236-V241 HydrophobicContact CG-CG2 3.27Å; M236-V241 HydrophobicContact SD-CB 4.37Å; M236-V241 HydrophobicContact SD-CG1 4.15Å; M236-V241 HydrophobicContact SD-CG2 3.4Å; M236-V241 WeakPolarHBondContact SD-CG2 3.42Å; K237-V241 WeakPolarHBondContact O-CG2 3.06Å; E238-V241 PolarHBondContact O-N 3.06Å; V241-S243 VanDerWaalsContact C-N 3.31Å; V241-S243 PolarHBondContact O-N 2.79Å; V241-L244 PolarHBondContact O-N 2.71Å; V241-L244 VanDerWaalsContact O-N 3.17Å; V241-M245 HydrophobicContact CG1-CG 4.16Å; V241-M245 HydrophobicContact CG1-SD 3.74Å; V241-M245 WeakPolarHBondContact O-CB 3.33Å; V241-M245 WeakPolarHBondContact O-CG 3.13Å; V241-M245 PolarHBondContact O-N 3.01Å; V241-L268 HydrophobicContact CB-CD1 4.43Å; V241-L268 HydrophobicContact CG1-CD1 3.49Å; V241-L268 VanDerWaalsContact CG1-CD1 3.49Å
242A93.6Very high94.9Very high11 Ų1133.7 Ų33.79%0.09117%0.171CC..Hα-helixtrans-56.5-44.917800000112.3K240 L246 M299K240-A242 PolarHBondContact O-N 3.44Å; A242-L246 PolarHBondContact O-N 3.16Å; A242-M299 HydrophobicContact CB-SD 4.35Å
243S94.4Very high95Very high42 Ų4233.7 Ų33.729%0.29417%0.172SC..Hα-helixtrans-62.1-45.2177-49.10000112.1K240 V241 L246 K247 K277K240-S243 WeakPolarHBondContact O-CB 3.29Å; K240-S243 PolarHBondContact O-N 2.9Å; K240-S243 VanDerWaalsContact O-N 3.11Å; V241-S243 VanDerWaalsContact C-N 3.31Å; V241-S243 PolarHBondContact O-N 2.79Å; S243-L246 PolarHBondContact O-N 3.26Å; S243-K247 WeakPolarHBondContact O-CB 3.45Å; S243-K247 PolarHBondContact O-N 3.43Å; S243-K277 WeakPolarHBondContact OG-CE 3.44Å; S243-K277 PolarHBondContact OG-NZ 2.92Å
244L95.8Very high95.1Very high21 Ų2137.3 Ų37.311%0.1119%0.188CC..Hα-helixtrans-68.6-42.3-176.7-64.4168.1000110.7Y141 L225 K240 V241 L246 K247 E248 E554Y141-L244 HydrophobicContact CE1-CB 4Å; Y141-L244 WeakPolarHBondContact OH-CB 3.32Å; Y141-L244 WeakPolarHBondContact OH-CD1 3.21Å; L225-L244 HydrophobicContact CD2-CD1 4.31Å; K240-L244 HydrophobicContact CB-CD1 4.09Å; K240-L244 WeakPolarHBondContact O-CG 3.19Å; K240-L244 PolarHBondContact O-N 2.72Å; K240-L244 VanDerWaalsContact O-N 3.11Å; V241-L244 PolarHBondContact O-N 2.71Å; V241-L244 VanDerWaalsContact O-N 3.17Å; L244-L246 PolarHBondContact O-N 3.04Å; L244-K247 PolarHBondContact O-N 3.46Å; L244-E248 WeakPolarHBondContact O-CB 3.12Å; L244-E248 WeakPolarHBondContact O-CG 3.18Å; L244-E248 PolarHBondContact O-N 3.4Å; L244-E554 HydrophobicContact CD1-CG 3.93Å; L244-E554 HydrophobicContact CD2-CG 4.12Å
245M97.2Very high95.2Very high1 Ų144 Ų441%0.00521%0.213CC..Hα-helixtrans-57.1-48173-74.8174.25100111.4I113 Y141 V241 K247 E248 A249 F265 L268I113-M245 HydrophobicContact CG2-CB 3.93Å; I113-M245 HydrophobicContact CG2-CG 4.17Å; I113-M245 WeakPolarHBondContact CG2-O 3.39Å; Y141-M245 HydrophobicContact CD1-CG 4.35Å; Y141-M245 HydrophobicContact CE1-CG 4.26Å; V241-M245 HydrophobicContact CG1-CG 4.16Å; V241-M245 HydrophobicContact CG1-SD 3.74Å; V241-M245 WeakPolarHBondContact O-CB 3.33Å; V241-M245 WeakPolarHBondContact O-CG 3.13Å; V241-M245 PolarHBondContact O-N 3.01Å; M245-K247 PolarHBondContact O-N 3.47Å; M245-E248 PolarHBondContact O-N 2.9Å; M245-A249 PolarHBondContact O-N 2.82Å; M245-F265 HydrophobicContact CB-CE2 4.23Å; M245-F265 HydrophobicContact CB-CZ 3.87Å; M245-F265 HydrophobicContact CE-CE1 3.85Å; M245-F265 HydrophobicContact CE-CZ 3.81Å; M245-F265 WeakPolarHBondContact O-CE2 3.25Å; M245-L268 HydrophobicContact CE-CG 4.25Å; M245-L268 HydrophobicContact SD-CD1 3.94Å; M245-L268 HydrophobicContact SD-CD2 4.45Å; M245-L268 HydrophobicContact SD-CG 3.79Å
246L98.1Very high95.4Very high12 Ų1242.9 Ų42.96%0.06321%0.206CC..Hα-helixtrans-60-47.7176.5179.461.2000111.2A242 S243 L244 E248 A249 L250 W298 M299 K302 I303A242-L246 PolarHBondContact O-N 3.16Å; S243-L246 PolarHBondContact O-N 3.26Å; L244-L246 PolarHBondContact O-N 3.04Å; L246-E248 VanDerWaalsContact C-N 3.3Å; L246-E248 PolarHBondContact O-N 2.79Å; L246-A249 PolarHBondContact O-N 3.22Å; L246-A249 VanDerWaalsContact O-N 3.14Å; L246-L250 HydrophobicContact CD1-CD1 4.32Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 4.18Å; L246-L250 HydrophobicContact CG-CD1 4.23Å; L246-L250 HydrophobicContact CG-CG 4.44Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 2.9Å; L246-W298 HydrophobicContact CD2-CE3 4.38Å; L246-W298 HydrophobicContact CD2-CH2 3.5Å; L246-W298 VanDerWaalsContact CD2-CH2 3.5Å; L246-W298 HydrophobicContact CD2-CZ2 4.46Å; L246-W298 HydrophobicContact CD2-CZ3 3.46Å; L246-W298 VanDerWaalsContact CD2-CZ3 3.46Å; L246-M299 HydrophobicContact CB-CE 4.12Å; L246-M299 HydrophobicContact CD1-CB 4.48Å; L246-M299 HydrophobicContact CD2-CG 4.28Å; L246-K302 HydrophobicContact CD1-CB 3.86Å; L246-K302 HydrophobicContact CD2-CB 3.99Å; L246-K302 HydrophobicContact CD2-CG 4.09Å; L246-K302 HydrophobicContact CG-CB 4.48Å; L246-I303 HydrophobicContact CD1-CG1 4.04Å
247K97.9Very high95.5Very high109 Ų10945.7 Ų45.747%0.47422%0.218SC..Hα-helixtrans-56-45.3178.1-177.4-178.9178-179.90111.6S243 L244 M245 A249 L250 A251S243-K247 WeakPolarHBondContact O-CB 3.45Å; S243-K247 PolarHBondContact O-N 3.43Å; L244-K247 PolarHBondContact O-N 3.46Å; M245-K247 PolarHBondContact O-N 3.47Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 3.02Å; K247-L250 PolarHBondContact O-N 3.49Å; K247-A251 WeakPolarHBondContact O-CB 3.5Å; K247-A251 PolarHBondContact O-N 3.45Å
248E98.1Very high95.7Very high13 Ų1353.3 Ų53.36%0.06125%0.245CC..Hα-helixtrans-65.6-34.5179-75.3-72.1168.100112.6I113 Y139 Y141 R227 L244 M245 L246 F252I113-E248 VanDerWaalsContact CD1-C 3.48Å; I113-E248 HydrophobicContact CD1-CB 4.13Å; Y139-E248 VanDerWaalsContact OH-CD 3.23Å; Y139-E248 PolarHBondContact OH-OE2 2.92Å; Y141-E248 HydrophobicContact CD1-CB 3.94Å; Y141-E248 HydrophobicContact CD1-CG 3.67Å; Y141-E248 HydrophobicContact CD2-CG 3.73Å; Y141-E248 HydrophobicContact CE1-CB 4.45Å; Y141-E248 HydrophobicContact CE1-CG 3.85Å; Y141-E248 HydrophobicContact CE2-CG 3.9Å; Y141-E248 HydrophobicContact CG-CB 4.04Å; Y141-E248 HydrophobicContact CG-CG 3.61Å; R227-E248 IonicContact CZ-OE1 3.03Å; R227-E248 IonicContact NH1-OE1 2.68Å; R227-E248 IonicContact NH2-OE1 3.65Å; R227-E248 PolarHBondContact NH2-OE1 3.43Å; L244-E248 WeakPolarHBondContact O-CB 3.12Å; L244-E248 WeakPolarHBondContact O-CG 3.18Å; L244-E248 PolarHBondContact O-N 3.4Å; M245-E248 PolarHBondContact O-N 2.9Å; L246-E248 VanDerWaalsContact C-N 3.3Å; L246-E248 PolarHBondContact O-N 2.79Å; E248-F252 VanDerWaalsContact O-CB 3.28Å; E248-F252 WeakPolarHBondContact O-CB 3.4Å; E248-F252 PolarHBondContact O-N 3.16Å
249A98.5Very high96Very high0 Ų055.9 Ų55.90%026%0.257CS..Hα-helixtrans-69.4-44.8176.500000112.6I113 M245 L246 K247 A251 F252 I253 L263 F265I113-A249 HydrophobicContact CD1-CB 3.71Å; I113-A249 VanDerWaalsContact CD1-N 3.32Å; M245-A249 PolarHBondContact O-N 2.82Å; L246-A249 PolarHBondContact O-N 3.22Å; L246-A249 VanDerWaalsContact O-N 3.14Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 3.02Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 3.42Å; A249-F252 PolarHBondContact O-N 3.43Å; A249-I253 WeakPolarHBondContact O-CG1 3.07Å; A249-I253 PolarHBondContact O-N 2.53Å; A249-L263 HydrophobicContact CB-CD2 4.29Å; A249-F265 HydrophobicContact CB-CD2 3.51Å; A249-F265 HydrophobicContact CB-CE2 3.53Å
250L98.6Very high96.4Very high51 Ų5149.8 Ų49.827%0.26723%0.231SC..Hα-helixtrans-62.7-42.9175.3-59.6-178.2000110.9L246 K247 I253 E254 K302 A306L246-L250 HydrophobicContact CD1-CD1 4.32Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 4.18Å; L246-L250 HydrophobicContact CG-CD1 4.23Å; L246-L250 HydrophobicContact CG-CG 4.44Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 2.9Å; K247-L250 PolarHBondContact O-N 3.49Å; L250-I253 PolarHBondContact O-N 3.25Å; L250-E254 WeakPolarHBondContact O-CB 3.34Å; L250-E254 PolarHBondContact O-N 3.43Å; L250-K302 WeakPolarHBondContact CD2-O 3.39Å; L250-A306 HydrophobicContact CD2-CB 3.63Å
251A98.2Very high96.8Very high35 Ų3545.3 Ų45.329%0.28921%0.211SC..Hα-helixtrans-65.5-37.6175.800000112.5K247 A249 E254 R255K247-A251 WeakPolarHBondContact O-CB 3.5Å; K247-A251 PolarHBondContact O-N 3.45Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 3.42Å; A251-E254 PolarHBondContact O-N 3.01Å; A251-R255 WeakPolarHBondContact O-CB 3.25Å; A251-R255 VanDerWaalsContact O-CG 3.28Å; A251-R255 WeakPolarHBondContact O-CG 3.36Å; A251-R255 PolarHBondContact O-N 3.5Å
252F98.4Very high97.1Very high7 Ų745.2 Ų45.23%0.03121%0.211CC..Hα-helixtrans-60.9-52.1175177.7-94.2000111.1I113 Y139 E248 A249 E254 R255 V256 F261 L263I113-F252 HydrophobicContact CD1-CB 4.29Å; Y139-F252 HydrophobicContact CD1-CD2 4.09Å; E248-F252 VanDerWaalsContact O-CB 3.28Å; E248-F252 WeakPolarHBondContact O-CB 3.4Å; E248-F252 PolarHBondContact O-N 3.16Å; A249-F252 PolarHBondContact O-N 3.43Å; F252-E254 VanDerWaalsContact C-N 3.3Å; F252-E254 PolarHBondContact O-N 3.45Å; F252-R255 PolarHBondContact O-N 2.91Å; F252-V256 HydrophobicContact CD1-CG2 4.06Å; F252-V256 HydrophobicContact CD2-CG1 4.46Å; F252-V256 HydrophobicContact CE1-CG2 3.79Å; F252-V256 HydrophobicContact CE2-CG1 4.16Å; F252-V256 HydrophobicContact CZ-CG1 4.32Å; F252-V256 HydrophobicContact CZ-CG2 4.08Å; F252-V256 WeakPolarHBondContact O-CG2 3.35Å; F252-V256 PolarHBondContact O-N 3.11Å; F252-V256 VanDerWaalsContact O-N 3.13Å; F252-F261 HydrophobicContact CE1-CB 4.22Å; F252-F261 HydrophobicContact CE1-CD2 4.07Å; F252-F261 HydrophobicContact CE1-CG 4.37Å; F252-F261 HydrophobicContact CZ-CB 4.46Å; F252-L263 HydrophobicContact CD1-CB 4.18Å; F252-L263 HydrophobicContact CD1-CD1 4.04Å; F252-L263 HydrophobicContact CE1-CB 4.05Å; F252-L263 HydrophobicContact CE1-CD1 4.49Å
253I98.3Very high97.4Very high1 Ų144.7 Ų44.71%0.00521%0.207CC..Hα-helixtrans-55-48.8177.7-67.7168.2000110A249 L250 R255 V256 K257 F261 L263 I303 L307 L312A249-I253 WeakPolarHBondContact O-CG1 3.07Å; A249-I253 PolarHBondContact O-N 2.53Å; L250-I253 PolarHBondContact O-N 3.25Å; I253-R255 PolarHBondContact O-N 3.01Å; I253-V256 PolarHBondContact O-N 3.17Å; I253-K257 WeakPolarHBondContact O-CB 3.3Å; I253-K257 PolarHBondContact O-N 2.98Å; I253-F261 HydrophobicContact CG1-CE2 4.4Å; I253-F261 HydrophobicContact CG1-CZ 4.37Å; I253-F261 HydrophobicContact CG2-CZ 4.44Å; I253-L263 HydrophobicContact CD1-CD2 3.87Å; I253-L263 HydrophobicContact CG1-CD2 3.99Å; I253-I303 HydrophobicContact CD1-CG2 4.19Å; I253-L307 HydrophobicContact CD1-CD2 4.29Å; I253-L307 HydrophobicContact CG2-CD2 4.48Å; I253-L312 HydrophobicContact CG2-CD1 3.9Å
254E97.4Very high97.6Very high80 Ų8042.9 Ų42.937%0.37419%0.193SC..Hα-helixtrans-59.9-43.1-178.8-178.957.3-159.800112.8L250 A251 F252 V256 K257 E310L250-E254 WeakPolarHBondContact O-CB 3.34Å; L250-E254 PolarHBondContact O-N 3.43Å; A251-E254 PolarHBondContact O-N 3.01Å; F252-E254 VanDerWaalsContact C-N 3.3Å; F252-E254 PolarHBondContact O-N 3.45Å; E254-V256 PolarHBondContact O-N 2.91Å; E254-K257 WeakPolarHBondContact O-CG 3.36Å; E254-K257 WeakPolarHBondContact OE1-CE 3.45Å; E254-K257 IonicContact OE1-NZ 2.71Å; E254-K257 PolarHBondContact OE1-NZ 3.28Å; E254-K257 IonicContact OE2-NZ 3.61Å; E254-K257 PolarHBondContact OE2-NZ 3.33Å; E254-E310 VanDerWaalsContact OE2-CD 3.29Å
255R97.3Very high97.7Very high143 Ų14341.9 Ų41.954%0.5419%0.188SC..Hα-helixtrans-67.2-34.2179.7-74.1-176-56.4-131.40.8113.2A251 F252 I253A251-R255 WeakPolarHBondContact O-CB 3.25Å; A251-R255 VanDerWaalsContact O-CG 3.28Å; A251-R255 WeakPolarHBondContact O-CG 3.36Å; A251-R255 PolarHBondContact O-N 3.5Å; F252-R255 PolarHBondContact O-N 2.91Å; I253-R255 PolarHBondContact O-N 3.01Å
256V96.9Very high97.8Very high19 Ų1941.8 Ų41.812%0.11519%0.188CC..Hα-helixtrans-1091.2-169.1-54.60000114R109 F252 I253 E254 R258 E259 F261R109-V256 HydrophobicContact CB-CB 4.21Å; R109-V256 HydrophobicContact CB-CG1 4.04Å; R109-V256 HydrophobicContact CG-CB 4.41Å; R109-V256 HydrophobicContact CG-CG1 4.23Å; F252-V256 HydrophobicContact CD1-CG2 4.06Å; F252-V256 HydrophobicContact CD2-CG1 4.46Å; F252-V256 HydrophobicContact CE1-CG2 3.79Å; F252-V256 HydrophobicContact CE2-CG1 4.16Å; F252-V256 HydrophobicContact CZ-CG1 4.32Å; F252-V256 HydrophobicContact CZ-CG2 4.08Å; F252-V256 WeakPolarHBondContact O-CG2 3.35Å; F252-V256 PolarHBondContact O-N 3.11Å; F252-V256 VanDerWaalsContact O-N 3.13Å; I253-V256 PolarHBondContact O-N 3.17Å; E254-V256 PolarHBondContact O-N 2.91Å; V256-R258 PolarHBondContact O-N 2.89Å; V256-E259 PolarHBondContact O-N 3.02Å; V256-F261 HydrophobicContact CB-CB 4.37Å; V256-F261 HydrophobicContact CG2-CB 3.62Å; V256-F261 HydrophobicContact CG2-CD1 3.69Å; V256-F261 HydrophobicContact CG2-CD2 4.42Å; V256-F261 HydrophobicContact CG2-CE1 4.45Å; V256-F261 HydrophobicContact CG2-CG 3.66Å
257K95.5Very high97.8Very high59 Ų5941.2 Ų41.226%0.25719%0.185SC..THydrogen-bonded Turntrans-54.2-15.9-174.364.8-172.8178.5-173.80116.8I253 E254 E310 L312I253-K257 WeakPolarHBondContact O-CB 3.3Å; I253-K257 PolarHBondContact O-N 2.98Å; E254-K257 WeakPolarHBondContact O-CG 3.36Å; E254-K257 WeakPolarHBondContact OE1-CE 3.45Å; E254-K257 IonicContact OE1-NZ 2.71Å; E254-K257 PolarHBondContact OE1-NZ 3.28Å; E254-K257 IonicContact OE2-NZ 3.61Å; E254-K257 PolarHBondContact OE2-NZ 3.33Å; K257-E310 HydrophobicContact CD-CB 4.48Å; K257-E310 HydrophobicContact CD-CG 4.31Å; K257-E310 IonicContact NZ-OE2 2.7Å; K257-E310 PolarHBondContact NZ-OE2 2.98Å; K257-L312 HydrophobicContact CB-CD1 3.98Å; K257-L312 HydrophobicContact CB-CD2 4.46Å
258R95.7Very high97.8Very high238 Ų23836.4 Ų36.490%0.89816%0.164SC*.THydrogen-bonded Turntrans-90.8-8.5177.6-62.1-176.3-178.8176.71.3113.8V256V256-R258 PolarHBondContact O-N 2.89Å
259E95.1Very high97.7Very high79 Ų7936 Ų3637%0.36916%0.162SC..SBendtrans-122.6151.7-179.6-62.1-176.6-149.600109.6R109 V256 F261R109-E259 HydrophobicContact CG-CB 4.24Å; R109-E259 VanDerWaalsContact CG-OE2 3.25Å; R109-E259 WeakPolarHBondContact CG-OE2 3.4Å; R109-E259 IonicContact CZ-OE1 3.88Å; R109-E259 IonicContact CZ-OE2 3.47Å; R109-E259 IonicContact NE-OE1 3.26Å; R109-E259 IonicContact NE-OE2 2.72Å; R109-E259 PolarHBondContact NE-OE2 2.82Å; R109-E259 IonicContact NH2-OE1 3.19Å; R109-E259 PolarHBondContact NH2-OE1 3.19Å; R109-E259 IonicContact NH2-OE2 3.38Å; R109-E259 PolarHBondContact NH2-OE2 3.06Å; V256-E259 PolarHBondContact O-N 3.02Å; E259-F261 PolarHBondContact O-N 2.73Å
260P97.2Very high97.5Very high29 Ų2936.1 Ų36.119%0.18816%0.163CC..  trans-62.5128.4171.626.7-33.1000109.7Y108 R109Y108-P260 VanDerWaalsContact CA-O 3.29Å; Y108-P260 WeakPolarHBondContact CA-O 3.39Å; Y108-P260 HydrophobicContact CD1-CB 4.08Å; Y108-P260 HydrophobicContact CE1-CB 3.87Å; Y108-P260 HydrophobicContact CE2-CB 4.4Å; Y108-P260 HydrophobicContact CG-CB 4.43Å; R109-P260 PolarHBondContact N-O 3.14Å
261F98.7Very high97.3Very high0 Ų034.1 Ų34.10%015%0.152CC..EExtended strand (participates in β ladder)trans-127.4156.6-176.767.3-98.2000113.5N8 I9 V10 R109 F252 I253 V256 E259 L263 L307 L312N8-F261 CarbonylContact C-O 3.42Å; N8-F261 WeakPolarHBondContact CA-O 3.47Å; N8-F261 HydrophobicContact CB-CD1 4.08Å; N8-F261 HydrophobicContact CB-CD2 4.44Å; N8-F261 HydrophobicContact CB-CE1 3.7Å; N8-F261 HydrophobicContact CB-CE2 4.08Å; N8-F261 HydrophobicContact CB-CG 4.44Å; N8-F261 HydrophobicContact CB-CZ 3.7Å; N8-F261 WeakPolarHBondContact ND2-CE1 3.48Å; N8-F261 WeakPolarHBondContact OD1-CD1 3.44Å; N8-F261 WeakPolarHBondContact OD1-CE1 3.25Å; N8-F261 PolarHBondContact OD1-N 3.14Å; I9-F261 PolarHBondContact N-O 2.85Å; V10-F261 HydrophobicContact CG2-CE2 3.91Å; R109-F261 HydrophobicContact CB-CB 4.2Å; R109-F261 CarbonylContact O-C 3.55Å; R109-F261 WeakPolarHBondContact O-CA 3.38Å; R109-F261 WeakPolarHBondContact O-CB 3.39Å; F252-F261 HydrophobicContact CE1-CB 4.22Å; F252-F261 HydrophobicContact CE1-CD2 4.07Å; F252-F261 HydrophobicContact CE1-CG 4.37Å; F252-F261 HydrophobicContact CZ-CB 4.46Å; I253-F261 HydrophobicContact CG1-CE2 4.4Å; I253-F261 HydrophobicContact CG1-CZ 4.37Å; I253-F261 HydrophobicContact CG2-CZ 4.44Å; V256-F261 HydrophobicContact CB-CB 4.37Å; V256-F261 HydrophobicContact CG2-CB 3.62Å; V256-F261 HydrophobicContact CG2-CD1 3.69Å; V256-F261 HydrophobicContact CG2-CD2 4.42Å; V256-F261 HydrophobicContact CG2-CE1 4.45Å; V256-F261 HydrophobicContact CG2-CG 3.66Å; E259-F261 PolarHBondContact O-N 2.73Å; F261-L263 HydrophobicContact CD2-CB 4.25Å; F261-L263 HydrophobicContact CE2-CB 4.27Å; F261-L307 HydrophobicContact CZ-CD2 4.19Å; F261-L312 HydrophobicContact CE1-CD1 4.03Å; F261-L312 HydrophobicContact CZ-CD1 4.29Å
262L98.8Very high96.8Very high0 Ų033 Ų330%014%0.142CC..EExtended strand (participates in β ladder)trans-114.1115.4165166.869.6000107I9 L11 F99 A100 L103 R109 T110 G111 F137I9-L262 HydrophobicContact CB-CD1 4.01Å; I9-L262 HydrophobicContact CG2-CD1 3.6Å; I9-L262 CarbonylContact O-C 3.44Å; I9-L262 WeakPolarHBondContact O-CA 3.47Å; L11-L262 HydrophobicContact CD1-CD1 3.78Å; L11-L262 HydrophobicContact CG-CD1 3.93Å; F99-L262 HydrophobicContact CD2-CD2 3.95Å; F99-L262 HydrophobicContact CE2-CD1 4.34Å; F99-L262 HydrophobicContact CE2-CD2 3.86Å; A100-L262 HydrophobicContact CB-CD2 3.9Å; L103-L262 HydrophobicContact CD1-CB 4.27Å; L103-L262 HydrophobicContact CD1-CD1 4.35Å; L103-L262 HydrophobicContact CD1-CD2 3.97Å; L103-L262 HydrophobicContact CD1-CG 4.42Å; R109-L262 PolarHBondContact O-N 2.93Å; T110-L262 CarbonylContact C-O 3.57Å; T110-L262 WeakPolarHBondContact CA-O 3.32Å; T110-L262 HydrophobicContact CG2-CB 4.06Å; T110-L262 HydrophobicContact CG2-CD2 4Å; G111-L262 PolarHBondContact N-O 3.39Å; F137-L262 HydrophobicContact CE1-CD2 4.01Å
263L98.9Very high96.3Very high0 Ų033 Ų330%014%0.143CC..EExtended strand (participates in β ladder)trans-103.3114.1163.4171.361.5000108I9 V10 L11 I113 A249 F252 I253 F261I9-L263 PolarHBondContact O-N 3.04Å; V10-L263 CarbonylContact C-O 3.47Å; V10-L263 WeakPolarHBondContact CA-O 3.23Å; V10-L263 HydrophobicContact CG1-CD2 4.32Å; V10-L263 HydrophobicContact CG2-CB 4.33Å; L11-L263 PolarHBondContact N-O 3.04Å; I113-L263 HydrophobicContact CD1-CD1 3.79Å; I113-L263 HydrophobicContact CG1-CD1 4.17Å; A249-L263 HydrophobicContact CB-CD2 4.29Å; F252-L263 HydrophobicContact CD1-CB 4.18Å; F252-L263 HydrophobicContact CD1-CD1 4.04Å; F252-L263 HydrophobicContact CE1-CB 4.05Å; F252-L263 HydrophobicContact CE1-CD1 4.49Å; I253-L263 HydrophobicContact CD1-CD2 3.87Å; I253-L263 HydrophobicContact CG1-CD2 3.99Å; F261-L263 HydrophobicContact CD2-CB 4.25Å; F261-L263 HydrophobicContact CE2-CB 4.27Å
264F98.9Very high95.9Very high3 Ų333.5 Ų33.51%0.01315%0.145CC..EExtended strand (participates in β ladder)trans-99.5101.6165.8-177.2-161.2000108.7L11 M13 F62 F99 G111 L112 I113 F137L11-F264 HydrophobicContact CB-CD2 3.79Å; L11-F264 HydrophobicContact CB-CE2 4.47Å; L11-F264 HydrophobicContact CB-CG 4.44Å; M13-F264 HydrophobicContact CB-CE2 3.66Å; M13-F264 HydrophobicContact CB-CZ 4.22Å; M13-F264 HydrophobicContact SD-CE2 4.31Å; M13-F264 HydrophobicContact SD-CZ 3.94Å; F62-F264 HydrophobicContact CD1-CE1 4.42Å; F62-F264 HydrophobicContact CD1-CZ 4.07Å; F62-F264 HydrophobicContact CE1-CE1 4.16Å; F62-F264 AromaticContact CE1-CE2 3.87Å; F62-F264 HydrophobicContact CE1-CE2 3.87Å; F62-F264 AromaticContact CE1-CZ 3.69Å; F62-F264 HydrophobicContact CE1-CZ 3.69Å; F99-F264 HydrophobicContact CZ-CD1 4.4Å; G111-F264 PolarHBondContact O-N 3.27Å; L112-F264 WeakPolarHBondContact CA-O 3.16Å; L112-F264 HydrophobicContact CD1-CB 4.1Å; L112-F264 HydrophobicContact CD1-CD1 3.44Å; L112-F264 VanDerWaalsContact CD1-CD1 3.44Å; L112-F264 HydrophobicContact CD1-CE1 3.94Å; L112-F264 HydrophobicContact CD1-CG 3.82Å; L112-F264 WeakPolarHBondContact CD1-O 3.37Å; I113-F264 PolarHBondContact N-O 3.19Å; F137-F264 HydrophobicContact CE1-CB 4.02Å; F137-F264 HydrophobicContact CE1-CD1 4.44Å; F137-F264 HydrophobicContact CZ-CB 4.32Å; F137-F264 AromaticContact CZ-CD1 3.91Å; F137-F264 HydrophobicContact CZ-CD1 3.91Å
265F98.9Very high95.5Very high0 Ų030.7 Ų30.70%013%0.132CC..EExtended strand (participates in β ladder)trans-93.5101.2172.8-161.5-78.4000109.1L11 L12 M13 I113 M245 A249 F267 M299 I303L11-F265 PolarHBondContact O-N 3.44Å; L12-F265 WeakPolarHBondContact CA-O 3.39Å; L12-F265 HydrophobicContact CD2-CB 3.76Å; L12-F265 HydrophobicContact CD2-CG 4.41Å; M13-F265 PolarHBondContact N-O 3.33Å; I113-F265 HydrophobicContact CB-CD2 4.02Å; I113-F265 HydrophobicContact CB-CE2 4.3Å; I113-F265 HydrophobicContact CG2-CD2 3.94Å; I113-F265 HydrophobicContact CG2-CE2 3.69Å; I113-F265 HydrophobicContact CG2-CZ 4.44Å; M245-F265 HydrophobicContact CB-CE2 4.23Å; M245-F265 HydrophobicContact CB-CZ 3.87Å; M245-F265 HydrophobicContact CE-CE1 3.85Å; M245-F265 HydrophobicContact CE-CZ 3.81Å; M245-F265 WeakPolarHBondContact O-CE2 3.25Å; A249-F265 HydrophobicContact CB-CD2 3.51Å; A249-F265 HydrophobicContact CB-CE2 3.53Å; F265-F267 AromaticContact CD1-CD1 3.88Å; F265-F267 HydrophobicContact CD1-CD1 3.88Å; F265-F267 AromaticContact CD1-CD2 3.76Å; F265-F267 HydrophobicContact CD1-CD2 3.76Å; F265-F267 AromaticContact CD1-CE1 3.67Å; F265-F267 HydrophobicContact CD1-CE1 3.67Å; F265-F267 AromaticContact CD1-CE2 3.54Å; F265-F267 HydrophobicContact CD1-CE2 3.54Å; F265-F267 AromaticContact CD1-CG 3.91Å; F265-F267 HydrophobicContact CD1-CG 3.91Å; F265-F267 AromaticContact CD1-CZ 3.49Å; F265-F267 HydrophobicContact CD1-CZ 3.49Å; F265-F267 VanDerWaalsContact CD1-CZ 3.49Å; F265-F267 AromaticContact CE1-CD1 3.42Å; F265-F267 HydrophobicContact CE1-CD1 3.42Å; F265-F267 VanDerWaalsContact CE1-CD1 3.42Å; F265-F267 HydrophobicContact CE1-CD2 4.16Å; F265-F267 AromaticContact CE1-CE1 3.31Å; F265-F267 HydrophobicContact CE1-CE1 3.31Å; F265-F267 HydrophobicContact CE1-CE2 4.08Å; F265-F267 AromaticContact CE1-CG 3.84Å; F265-F267 HydrophobicContact CE1-CG 3.84Å; F265-F267 AromaticContact CE1-CZ 3.66Å; F265-F267 HydrophobicContact CE1-CZ 3.66Å; F265-F267 HydrophobicContact CZ-CE1 4.33Å; F265-M299 HydrophobicContact CE1-CE 3.77Å; F265-M299 HydrophobicContact CZ-CE 3.45Å; F265-M299 VanDerWaalsContact CZ-CE 3.45Å; F265-I303 HydrophobicContact CB-CD1 4.39Å; F265-I303 HydrophobicContact CD1-CD1 4.42Å; F265-I303 HydrophobicContact CD2-CD1 3.86Å; F265-I303 HydrophobicContact CE2-CD1 4.22Å; F265-I303 HydrophobicContact CG-CD1 3.95Å
266S98.7Very high95.2Very high0 Ų025 Ų250%012%0.115CC..EExtended strand (participates in β ladder)trans-98.9102.7176.7175.60000109.4R59 I113 G114 K115R59-S266 PolarHBondContact NH1-OG 3.17Å; I113-S266 PolarHBondContact O-N 3.36Å; G114-S266 CarbonylContact C-O 3.53Å; G114-S266 VanDerWaalsContact CA-O 3.24Å; G114-S266 WeakPolarHBondContact CA-O 3.23Å; K115-S266 PolarHBondContact N-O 3.39Å; K115-S266 VanDerWaalsContact O-CB 3.26Å; K115-S266 WeakPolarHBondContact O-CB 3.48Å; K115-S266 PolarHBondContact O-OG 2.85Å; K115-S266 VanDerWaalsContact O-OG 3.09Å
267F98.3Very high94.8Very high0 Ų026.7 Ų26.70%012%0.12CC..  trans-59.2154.9-179.6-66.1-92.4000112.2L12 M13 F265 H269 M296 M299 V300L12-F267 HydrophobicContact CB-CE2 4.1Å; L12-F267 HydrophobicContact CD2-CE2 4.08Å; L12-F267 HydrophobicContact CD2-CZ 4.32Å; M13-F267 WeakPolarHBondContact O-CD2 3.08Å; M13-F267 PolarHBondContact O-N 2.85Å; F265-F267 AromaticContact CD1-CD1 3.88Å; F265-F267 HydrophobicContact CD1-CD1 3.88Å; F265-F267 AromaticContact CD1-CD2 3.76Å; F265-F267 HydrophobicContact CD1-CD2 3.76Å; F265-F267 AromaticContact CD1-CE1 3.67Å; F265-F267 HydrophobicContact CD1-CE1 3.67Å; F265-F267 AromaticContact CD1-CE2 3.54Å; F265-F267 HydrophobicContact CD1-CE2 3.54Å; F265-F267 AromaticContact CD1-CG 3.91Å; F265-F267 HydrophobicContact CD1-CG 3.91Å; F265-F267 AromaticContact CD1-CZ 3.49Å; F265-F267 HydrophobicContact CD1-CZ 3.49Å; F265-F267 VanDerWaalsContact CD1-CZ 3.49Å; F265-F267 AromaticContact CE1-CD1 3.42Å; F265-F267 HydrophobicContact CE1-CD1 3.42Å; F265-F267 VanDerWaalsContact CE1-CD1 3.42Å; F265-F267 HydrophobicContact CE1-CD2 4.16Å; F265-F267 AromaticContact CE1-CE1 3.31Å; F265-F267 HydrophobicContact CE1-CE1 3.31Å; F265-F267 HydrophobicContact CE1-CE2 4.08Å; F265-F267 AromaticContact CE1-CG 3.84Å; F265-F267 HydrophobicContact CE1-CG 3.84Å; F265-F267 AromaticContact CE1-CZ 3.66Å; F265-F267 HydrophobicContact CE1-CZ 3.66Å; F265-F267 HydrophobicContact CZ-CE1 4.33Å; F267-H269 HydrophobicContact CB-CB 4.17Å; F267-H269 WeakPolarHBondContact CB-O 3.49Å; F267-M296 HydrophobicContact CD1-CB 4.44Å; F267-M296 HydrophobicContact CD1-CG 3.65Å; F267-M296 HydrophobicContact CD2-CG 4.37Å; F267-M296 HydrophobicContact CE1-CG 3.77Å; F267-M296 HydrophobicContact CE2-CG 4.47Å; F267-M296 HydrophobicContact CG-CG 3.99Å; F267-M296 HydrophobicContact CG-SD 4.4Å; F267-M296 HydrophobicContact CZ-CG 4.2Å; F267-M299 HydrophobicContact CD1-CE 4.21Å; F267-M299 HydrophobicContact CD1-SD 4.5Å; F267-M299 HydrophobicContact CE1-CB 3.86Å; F267-M299 HydrophobicContact CE1-CE 4.02Å; F267-M299 HydrophobicContact CE1-SD 4.31Å; F267-V300 HydrophobicContact CE2-CG2 4.22Å; F267-V300 HydrophobicContact CZ-CG2 3.69Å
268L96.6Very high94.4Very high7 Ų732.6 Ų32.64%0.03715%0.149CC..  trans-87.3-24.2160.6-54-172.3000110.8K115 V143 L147 V241 M245 H271K115-L268 HydrophobicContact CB-CD2 3.83Å; V143-L268 HydrophobicContact CG1-CD1 4.43Å; V143-L268 HydrophobicContact CG2-CD2 3.44Å; V143-L268 VanDerWaalsContact CG2-CD2 3.44Å; L147-L268 HydrophobicContact CD1-CB 3.62Å; L147-L268 HydrophobicContact CD1-CD1 4.19Å; L147-L268 HydrophobicContact CD1-CG 4.48Å; L147-L268 HydrophobicContact CD2-CD1 4.14Å; L147-L268 HydrophobicContact CG-CB 3.94Å; L147-L268 HydrophobicContact CG-CD1 3.97Å; L147-L268 HydrophobicContact CG-CG 4.39Å; V241-L268 HydrophobicContact CB-CD1 4.43Å; V241-L268 HydrophobicContact CG1-CD1 3.49Å; V241-L268 VanDerWaalsContact CG1-CD1 3.49Å; M245-L268 HydrophobicContact CE-CG 4.25Å; M245-L268 HydrophobicContact SD-CD1 3.94Å; M245-L268 HydrophobicContact SD-CD2 4.45Å; M245-L268 HydrophobicContact SD-CG 3.79Å; L268-H271 WeakPolarHBondContact O-CB 3.41Å; L268-H271 PolarHBondContact O-N 2.83Å; L268-H271 VanDerWaalsContact O-N 3.17Å
269H96.8Very high94.2Very high6 Ų627.1 Ų27.13%0.02813%0.132CC..THydrogen-bonded Turntrans-66.3134.4170.3-55.170.6000109.4D15 F267 N292 E295 M296D15-H269 WeakPolarHBondContact CB-O 3.03Å; D15-H269 PolarHBondContact N-O 3.02Å; F267-H269 HydrophobicContact CB-CB 4.17Å; F267-H269 WeakPolarHBondContact CB-O 3.49Å; H269-N292 WeakPolarHBondContact CA-OD1 3.46Å; H269-N292 PolarHBondContact CD2-ND2 2.71Å; H269-N292 PolarHBondContact CD2-O 3.02Å; H269-N292 VanDerWaalsContact CD2-O 3.27Å; H269-N292 PolarHBondContact CD2-OD1 3.33Å; H269-E295 IonicContact CD2-OE2 2.98Å; H269-E295 IonicContact CE1-OE2 3.63Å; H269-E295 IonicContact NE2-OE2 3.26Å; H269-E295 PolarHBondContact NE2-OE2 3.18Å; H269-M296 HydrophobicContact CB-CB 3.76Å; H269-M296 HydrophobicContact CB-CG 4.07Å; H269-M296 HydrophobicContact CB-SD 4.16Å
270V94.8Very high94.2Very high2 Ų224.4 Ų24.41%0.01212%0.119CC..THydrogen-bonded Turncis-117.539.86.8-70.10000111.2D15 L17 L274 Y289 N292 V293 M296D15-V270 CarbonylContact O-C 3.57Å; D15-V270 PolarHBondContact O-N 2.89Å; L17-V270 HydrophobicContact CB-CG2 3.99Å; L17-V270 HydrophobicContact CD1-CG2 3.93Å; V270-L274 HydrophobicContact CB-CD2 4.46Å; V270-L274 WeakPolarHBondContact O-CD2 3.32Å; V270-Y289 HydrophobicContact CB-CD2 4.38Å; V270-Y289 HydrophobicContact CB-CE2 3.76Å; V270-Y289 HydrophobicContact CG2-CE1 4.39Å; V270-Y289 HydrophobicContact CG2-CE2 3.5Å; V270-Y289 VanDerWaalsContact CG2-CE2 3.5Å; V270-Y289 VanDerWaalsContact CG2-CZ 3.41Å; V270-Y289 WeakPolarHBondContact CG2-OH 3.41Å; V270-N292 WeakPolarHBondContact CA-OD1 3.31Å; V270-N292 HydrophobicContact CG1-CB 4.1Å; V270-V293 HydrophobicContact CB-CG2 4.4Å; V270-V293 HydrophobicContact CG1-CB 4.28Å; V270-V293 HydrophobicContact CG1-CG2 3.69Å; V270-V293 HydrophobicContact CG2-CG2 4.41Å; V270-M296 HydrophobicContact CG1-SD 4.48Å
271H93.4Very high93.9Very high9 Ų927.5 Ų27.54%0.04214%0.137CC..SBendtrans-70146.2176.9-164-73.8000110.7D15 D16 L147 L268 L274 K348D15-H271 HydrophobicContact CB-CB 4.08Å; D15-H271 PolarHBondContact O-N 3.15Å; D15-H271 IonicContact OD1-CD2 2.98Å; D15-H271 WeakPolarHBondContact OD2-CB 3.44Å; D15-H271 IonicContact OD2-CD2 3.57Å; D15-H271 IonicContact OD2-CG 3.78Å; D16-H271 IonicContact OD2-CD2 3.82Å; D16-H271 PolarHBondContact OD2-CD2 3Å; D16-H271 IonicContact OD2-CG 3.82Å; D16-H271 IonicContact OD2-NE2 3.89Å; L147-H271 PolarHBondContact O-CE1 2.75Å; L147-H271 PolarHBondContact O-ND1 2.83Å; L268-H271 WeakPolarHBondContact O-CB 3.41Å; L268-H271 PolarHBondContact O-N 2.83Å; L268-H271 VanDerWaalsContact O-N 3.17Å; H271-L274 PolarHBondContact O-N 3.21Å; H271-K348 PolarHBondContact NE2-NZ 3.49Å; H271-K348 VanDerWaalsContact NE2-NZ 3.12Å
272T87.4Confident93.6Very high11 Ų1130.6 Ų30.67%0.06717%0.169CC..THydrogen-bonded Turntrans-56.2138.6171.747.20000110.5P330 L337T272-P330 HydrophobicContact CG2-CB 4.22Å; T272-L337 HydrophobicContact CG2-CB 4.24Å
273P88.6Confident93.1Very high8 Ų837 Ų375%0.05220%0.198CC..THydrogen-bonded Turncis-101.823.72238.2-34.3000116.5Q152 I275Q152-P273 HydrophobicContact CG-CB 4.49Å; Q152-P273 HydrophobicContact CG-CG 3.8Å; Q152-P273 VanDerWaalsContact OE1-CB 3.28Å; P273-I275 HydrophobicContact CG-CD1 3.94Å; P273-I275 HydrophobicContact CG-CG1 3.92Å
274L90.9Very high92.7Very high10 Ų1037.5 Ų37.55%0.05220%0.202CC..  trans61.158.5173.3-51.2174.2000114V270 H271 S276 R288 Y289 N292 L337V270-L274 HydrophobicContact CB-CD2 4.46Å; V270-L274 WeakPolarHBondContact O-CD2 3.32Å; H271-L274 PolarHBondContact O-N 3.21Å; L274-S276 PolarHBondContact O-N 3.27Å; L274-R288 HydrophobicContact CB-CB 4.5Å; L274-R288 HydrophobicContact CD1-CB 4.11Å; L274-Y289 HydrophobicContact CD1-CD2 4.33Å; L274-Y289 HydrophobicContact CD2-CD2 3.82Å; L274-N292 HydrophobicContact CB-CB 4.39Å; L274-N292 HydrophobicContact CD2-CB 4.19Å; L274-L337 HydrophobicContact CD1-CB 4.23Å; L274-L337 HydrophobicContact CD1-CD2 4.27Å; L274-L337 VanDerWaalsContact CD1-O 3.3Å; L274-L337 WeakPolarHBondContact CD1-O 3.12Å
275I88.3Confident92.2Very high21 Ų2146.1 Ų46.111%0.10824%0.24CC..  trans-85.1113.9-179-52.9179.3000108.4Q152 E238 E239 P273 N292Q152-I275 HydrophobicContact CG-CD1 4.01Å; E238-I275 HydrophobicContact CB-CD1 3.28Å; E238-I275 HydrophobicContact CG-CD1 4.04Å; E239-I275 HydrophobicContact CG-CG2 4.4Å; P273-I275 HydrophobicContact CG-CD1 3.94Å; P273-I275 HydrophobicContact CG-CG1 3.92Å; I275-N292 PolarHBondContact O-ND2 3.3Å
276S90.1Very high91.8Very high24 Ų2449.1 Ų49.117%0.16825%0.251CS..  trans-121.3150.9-179.8-55.60000110.8L274 N292 E295L274-S276 PolarHBondContact O-N 3.27Å; S276-N292 VanDerWaalsContact OG-CA 3.32Å; S276-N292 WeakPolarHBondContact OG-CA 3.35Å; S276-N292 PolarHBondContact OG-N 3.22Å; S276-N292 PolarHBondContact OG-ND2 2.98Å; S276-E295 WeakPolarHBondContact CA-OE2 3.44Å
277K89.3Confident91.5Very high55 Ų5550.6 Ų50.624%0.23927%0.267CS..  trans-64.4150.3171.2-73.3176.1-172-170.50112.2S243 K279 F280 V281 E295S243-K277 WeakPolarHBondContact OG-CE 3.44Å; S243-K277 PolarHBondContact OG-NZ 2.92Å; K277-K279 HydrophobicContact CB-CG 4.35Å; K277-K279 PolarHBondContact O-N 2.94Å; K277-F280 HydrophobicContact CB-CD2 4.18Å; K277-F280 PolarHBondContact O-N 3.07Å; K277-V281 PolarHBondContact O-N 3.44Å; K277-E295 VanDerWaalsContact CD-OE1 3.24Å; K277-E295 WeakPolarHBondContact CD-OE1 3.34Å; K277-E295 WeakPolarHBondContact CE-OE1 3.35Å; K277-E295 WeakPolarHBondContact CG-OE1 3.48Å
278E87.8Confident91.2Very high182 Ų18254.4 Ų54.485%0.8528%0.281SS*.G310 helixtrans-46.8-40.8178.7-65.3-178.7173.400113.7F280 V281E278-F280 PolarHBondContact O-N 3.39Å; E278-F280 VanDerWaalsContact O-N 3.15Å; E278-V281 PolarHBondContact O-N 2.96Å; E278-V281 VanDerWaalsContact O-N 3.17Å
279K91.8Very high91.2Very high124 Ų12454 Ų5454%0.53928%0.279SS..G310 helixtrans-64.7-17.5-179.572.8173.5-170.2170.70115.1K277K277-K279 HydrophobicContact CB-CG 4.35Å; K277-K279 PolarHBondContact O-N 2.94Å
280F93.2Very high91.1Very high22 Ų2253.8 Ų53.810%0.09628%0.278CS..G310 helixtrans-102.6-16.1177.3-66.5-75.4000112.5K277 E278 G282 H283 D291 E294 E295 W298K277-F280 HydrophobicContact CB-CD2 4.18Å; K277-F280 PolarHBondContact O-N 3.07Å; E278-F280 PolarHBondContact O-N 3.39Å; E278-F280 VanDerWaalsContact O-N 3.15Å; F280-G282 PolarHBondContact O-N 2.86Å; F280-H283 WeakPolarHBondContact O-CB 3.4Å; F280-H283 PolarHBondContact O-N 3.11Å; F280-D291 VanDerWaalsContact O-CB 3.29Å; F280-D291 WeakPolarHBondContact O-CB 3.46Å; F280-E294 HydrophobicContact CD1-CB 4.3Å; F280-E295 HydrophobicContact CD1-CB 4.36Å; F280-E295 HydrophobicContact CD2-CB 3.58Å; F280-E295 HydrophobicContact CD2-CG 3.8Å; F280-E295 HydrophobicContact CE1-CB 4.43Å; F280-E295 HydrophobicContact CE2-CB 3.64Å; F280-E295 HydrophobicContact CE2-CG 3.54Å; F280-E295 HydrophobicContact CG-CB 3.96Å; F280-E295 HydrophobicContact CZ-CB 4.1Å; F280-E295 HydrophobicContact CZ-CG 4.24Å; F280-W298 HydrophobicContact CE1-CB 4.1Å; F280-W298 HydrophobicContact CE1-CG 4.48Å; F280-W298 HydrophobicContact CE2-CE3 4.33Å; F280-W298 HydrophobicContact CZ-CB 3.65Å; F280-W298 AromaticContact CZ-CD2 3.97Å; F280-W298 HydrophobicContact CZ-CD2 3.97Å; F280-W298 HydrophobicContact CZ-CE3 4.18Å; F280-W298 AromaticContact CZ-CG 3.72Å; F280-W298 HydrophobicContact CZ-CG 3.72Å
281V92.3Very high91.2Very high93 Ų9353.9 Ų53.956%0.56428%0.279SS*.THydrogen-bonded Turntrans-66.9125-174.91750000110.6K277 E278 H283 D291K277-V281 PolarHBondContact O-N 3.44Å; E278-V281 PolarHBondContact O-N 2.96Å; E278-V281 VanDerWaalsContact O-N 3.17Å; V281-H283 VanDerWaalsContact C-N 3.33Å; V281-D291 WeakPolarHBondContact CA-OD2 3.25Å
282G91Very high91.3Very high66 Ų6653.6 Ų53.668%0.6828%0.277SS*.THydrogen-bonded Turntrans77.713.6177.400000114.6F280 D291F280-G282 PolarHBondContact O-N 2.86Å; G282-D291 PolarHBondContact N-OD1 3.33Å; G282-D291 PolarHBondContact N-OD2 2.95Å
283H89.4Confident91.8Very high133 Ų13353.1 Ų53.162%0.61627%0.274SS*.THydrogen-bonded Turntrans-87-37.2179.8-172.7-99.3000111.9F280 V281 D291 E294F280-H283 WeakPolarHBondContact O-CB 3.4Å; F280-H283 PolarHBondContact O-N 3.11Å; V281-H283 VanDerWaalsContact C-N 3.33Å; H283-D291 PolarHBondContact N-OD1 3.15Å; H283-D291 VanDerWaalsContact N-OD1 3.13Å; H283-E294 IonicContact CE1-OE2 3.05Å; H283-E294 IonicContact CG-OE2 2.64Å; H283-E294 IonicContact ND1-OE2 3.25Å; H283-E294 PolarHBondContact ND1-OE2 3.4Å
284S91.1Very high92.3Very high12 Ų1253.4 Ų53.48%0.08428%0.275CS..SBendtrans-82.9145.2-174.8-159.60000113.1S29 Y286 G287 G290 D291 E294S29-S284 PolarHBondContact O-OG 3.23Å; S284-Y286 PolarHBondContact O-N 3.04Å; S284-G287 PolarHBondContact O-N 3.22Å; S284-G290 VanDerWaalsContact OG-CA 3.31Å; S284-G290 WeakPolarHBondContact OG-CA 3.39Å; S284-D291 VanDerWaalsContact CB-N 3.35Å; S284-D291 VanDerWaalsContact CB-OD1 3.27Å; S284-D291 WeakPolarHBondContact CB-OD1 3.38Å; S284-D291 PolarHBondContact N-OD1 2.76Å; S284-E294 WeakPolarHBondContact CA-OE1 3.38Å; S284-E294 WeakPolarHBondContact CB-OE1 3.47Å; S284-E294 PolarHBondContact OG-OE1 3.18Å
285K88.4Confident92.6Very high183 Ų18353 Ų5380%0.79627%0.273SS*.THydrogen-bonded Turntrans-71.4-20173.3-60.5177.9-177.4171.30112.1S29 G287S29-K285 WeakPolarHBondContact O-CB 3.49Å; S29-K285 PolarHBondContact O-N 2.58Å; K285-G287 PolarHBondContact O-N 3.08Å
286Y89.8Confident93.1Very high63 Ų6352 Ų5225%0.24727%0.268CS..THydrogen-bonded Turntrans-9124177.4-149.7-100.6000112.8V30 S284 Y289 G290V30-Y286 HydrophobicContact CG2-CG 4.26Å; S284-Y286 PolarHBondContact O-N 3.04Å; Y286-Y289 AromaticContact CD1-CD1 3.6Å; Y286-Y289 HydrophobicContact CD1-CD1 3.6Å; Y286-Y289 HydrophobicContact CD1-CE1 4.49Å; Y286-Y289 HydrophobicContact CD1-CG 4.18Å; Y286-Y289 AromaticContact CE1-CD1 3.78Å; Y286-Y289 HydrophobicContact CE1-CD1 3.78Å; Y286-Y289 HydrophobicContact CE1-CE1 4.44Å; Y286-Y289 HydrophobicContact CE1-CG 4.28Å; Y286-G290 PolarHBondContact O-N 2.88Å
287G92.2Very high93.5Very high31 Ų3151 Ų5132%0.3226%0.261SS..Hα-helixtrans60.1-150.4175.900000113.4S284 K285 Y289 G290 D291S284-G287 PolarHBondContact O-N 3.22Å; K285-G287 PolarHBondContact O-N 3.08Å; G287-Y289 PolarHBondContact O-N 3.42Å; G287-Y289 VanDerWaalsContact O-N 3.13Å; G287-G290 PolarHBondContact O-N 3.17Å; G287-D291 PolarHBondContact O-N 3.32Å
288R93.3Very high93.9Very high80 Ų8051.6 Ų51.630%0.30226%0.261SS..Hα-helixtrans-58-31.9-175.4-58.6-166.1-52.7-139.93.5113.4K155 L274 N292 D332K155-R288 VanDerWaalsContact NZ-NH1 3.18Å; L274-R288 HydrophobicContact CB-CB 4.5Å; L274-R288 HydrophobicContact CD1-CB 4.11Å; R288-N292 PolarHBondContact O-N 2.75Å; R288-D332 IonicContact CZ-OD2 3.43Å; R288-D332 IonicContact NH1-OD2 2.94Å; R288-D332 PolarHBondContact NH1-OD2 3.27Å; R288-D332 IonicContact NH2-OD2 3.91Å; R288-D332 PolarHBondContact NH2-OD2 2.94Å
289Y95.1Very high94.5Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-66.7-50.3177.2-179.3-86.9000109.7D16 D21 V270 L274 Y286 G287 D291 N292 V293 G339D16-Y289 PolarHBondContact O-OH 3.13Å; D21-Y289 HydrophobicContact CB-CE1 4.37Å; D21-Y289 WeakPolarHBondContact OD1-CE1 3.29Å; D21-Y289 PolarHBondContact OD2-OH 3.4Å; V270-Y289 HydrophobicContact CB-CD2 4.38Å; V270-Y289 HydrophobicContact CB-CE2 3.76Å; V270-Y289 HydrophobicContact CG2-CE1 4.39Å; V270-Y289 HydrophobicContact CG2-CE2 3.5Å; V270-Y289 VanDerWaalsContact CG2-CE2 3.5Å; V270-Y289 VanDerWaalsContact CG2-CZ 3.41Å; V270-Y289 WeakPolarHBondContact CG2-OH 3.41Å; L274-Y289 HydrophobicContact CD1-CD2 4.33Å; L274-Y289 HydrophobicContact CD2-CD2 3.82Å; Y286-Y289 AromaticContact CD1-CD1 3.6Å; Y286-Y289 HydrophobicContact CD1-CD1 3.6Å; Y286-Y289 HydrophobicContact CD1-CE1 4.49Å; Y286-Y289 HydrophobicContact CD1-CG 4.18Å; Y286-Y289 AromaticContact CE1-CD1 3.78Å; Y286-Y289 HydrophobicContact CE1-CD1 3.78Å; Y286-Y289 HydrophobicContact CE1-CE1 4.44Å; Y286-Y289 HydrophobicContact CE1-CG 4.28Å; G287-Y289 PolarHBondContact O-N 3.42Å; G287-Y289 VanDerWaalsContact O-N 3.13Å; Y289-D291 VanDerWaalsContact C-N 3.34Å; Y289-D291 PolarHBondContact O-N 3.3Å; Y289-N292 WeakPolarHBondContact O-CA 3.27Å; Y289-N292 WeakPolarHBondContact O-CB 3.14Å; Y289-N292 PolarHBondContact O-N 3.24Å; Y289-V293 HydrophobicContact CD1-CG2 3.76Å; Y289-V293 HydrophobicContact CE1-CG2 3.4Å; Y289-V293 VanDerWaalsContact CE1-CG2 3.4Å; Y289-V293 WeakPolarHBondContact O-CG2 3.34Å; Y289-V293 PolarHBondContact O-N 3.21Å; Y289-G339 VanDerWaalsContact CE2-N 3.27Å; Y289-G339 WeakPolarHBondContact OH-CA 3.26Å
290G96.1Very high94.8Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-57.9-42.8175.700000113S284 Y286 G287 N292 V293 E294S284-G290 VanDerWaalsContact OG-CA 3.31Å; S284-G290 WeakPolarHBondContact OG-CA 3.39Å; Y286-G290 PolarHBondContact O-N 2.88Å; G287-G290 PolarHBondContact O-N 3.17Å; G290-N292 PolarHBondContact O-N 3.43Å; G290-V293 PolarHBondContact O-N 3.25Å; G290-V293 VanDerWaalsContact O-N 3.11Å; G290-E294 WeakPolarHBondContact O-CG 3.5Å; G290-E294 PolarHBondContact O-N 3.29Å
291D95.9Very high95.1Very high5 Ų536.1 Ų36.13%0.02719%0.191CC..Hα-helixtrans-57.4-36.8175.4-62.3-22.2000111.8F280 V281 G282 H283 S284 G287 Y289 E295F280-D291 VanDerWaalsContact O-CB 3.29Å; F280-D291 WeakPolarHBondContact O-CB 3.46Å; V281-D291 WeakPolarHBondContact CA-OD2 3.25Å; G282-D291 PolarHBondContact N-OD1 3.33Å; G282-D291 PolarHBondContact N-OD2 2.95Å; H283-D291 PolarHBondContact N-OD1 3.15Å; H283-D291 VanDerWaalsContact N-OD1 3.13Å; S284-D291 VanDerWaalsContact CB-N 3.35Å; S284-D291 VanDerWaalsContact CB-OD1 3.27Å; S284-D291 WeakPolarHBondContact CB-OD1 3.38Å; S284-D291 PolarHBondContact N-OD1 2.76Å; G287-D291 PolarHBondContact O-N 3.32Å; Y289-D291 VanDerWaalsContact C-N 3.34Å; Y289-D291 PolarHBondContact O-N 3.3Å; D291-E295 PolarHBondContact O-N 2.98Å; D291-E295 VanDerWaalsContact O-N 3.09Å
292N96.3Very high95.4Very high3 Ų335.1 Ų35.12%0.01618%0.179CC..Hα-helixtrans-73.5-39.2177.9-152.4-114.5000111.7H269 V270 L274 I275 S276 R288 Y289 G290 E294 E295 M296H269-N292 WeakPolarHBondContact CA-OD1 3.46Å; H269-N292 PolarHBondContact CD2-ND2 2.71Å; H269-N292 PolarHBondContact CD2-O 3.02Å; H269-N292 VanDerWaalsContact CD2-O 3.27Å; H269-N292 PolarHBondContact CD2-OD1 3.33Å; V270-N292 WeakPolarHBondContact CA-OD1 3.31Å; V270-N292 HydrophobicContact CG1-CB 4.1Å; L274-N292 HydrophobicContact CB-CB 4.39Å; L274-N292 HydrophobicContact CD2-CB 4.19Å; I275-N292 PolarHBondContact O-ND2 3.3Å; S276-N292 VanDerWaalsContact OG-CA 3.32Å; S276-N292 WeakPolarHBondContact OG-CA 3.35Å; S276-N292 PolarHBondContact OG-N 3.22Å; S276-N292 PolarHBondContact OG-ND2 2.98Å; R288-N292 PolarHBondContact O-N 2.75Å; Y289-N292 WeakPolarHBondContact O-CA 3.27Å; Y289-N292 WeakPolarHBondContact O-CB 3.14Å; Y289-N292 PolarHBondContact O-N 3.24Å; G290-N292 PolarHBondContact O-N 3.43Å; N292-E294 VanDerWaalsContact C-N 3.35Å; N292-E295 PolarHBondContact O-N 3.41Å; N292-M296 PolarHBondContact O-N 3.26Å
293V97.9Very high95.7Very high0 Ų032 Ų320%015%0.147CC..Hα-helixtrans-62.3-42.5172.6-179.10000110.9L17 V30 T32 V270 Y289 G290 M296 D297L17-V293 HydrophobicContact CD1-CG1 4.21Å; L17-V293 HydrophobicContact CD1-CG2 4.02Å; V30-V293 HydrophobicContact CG1-CB 3.68Å; V30-V293 HydrophobicContact CG1-CG1 3.56Å; V30-V293 HydrophobicContact CG1-CG2 4.48Å; T32-V293 HydrophobicContact CG2-CG1 3.72Å; V270-V293 HydrophobicContact CB-CG2 4.4Å; V270-V293 HydrophobicContact CG1-CB 4.28Å; V270-V293 HydrophobicContact CG1-CG2 3.69Å; V270-V293 HydrophobicContact CG2-CG2 4.41Å; Y289-V293 HydrophobicContact CD1-CG2 3.76Å; Y289-V293 HydrophobicContact CE1-CG2 3.4Å; Y289-V293 VanDerWaalsContact CE1-CG2 3.4Å; Y289-V293 WeakPolarHBondContact O-CG2 3.34Å; Y289-V293 PolarHBondContact O-N 3.21Å; G290-V293 PolarHBondContact O-N 3.25Å; G290-V293 VanDerWaalsContact O-N 3.11Å; V293-M296 HydrophobicContact CG1-CE 4.1Å; V293-M296 WeakPolarHBondContact O-CB 3.39Å; V293-M296 PolarHBondContact O-N 3.02Å; V293-D297 PolarHBondContact O-N 3.49Å
294E97.8Very high96.2Very high15 Ų1525.6 Ų25.67%0.0712%0.118CC..Hα-helixtrans-66.8-37.2179.3-70.1179.4-162.900112.2V30 S31 F280 H283 S284 G290 N292 W298V30-E294 HydrophobicContact CG1-CG 3.86Å; S31-E294 PolarHBondContact N-OE1 3.36Å; S31-E294 WeakPolarHBondContact O-CG 3.48Å; F280-E294 HydrophobicContact CD1-CB 4.3Å; H283-E294 IonicContact CE1-OE2 3.05Å; H283-E294 IonicContact CG-OE2 2.64Å; H283-E294 IonicContact ND1-OE2 3.25Å; H283-E294 PolarHBondContact ND1-OE2 3.4Å; S284-E294 WeakPolarHBondContact CA-OE1 3.38Å; S284-E294 WeakPolarHBondContact CB-OE1 3.47Å; S284-E294 PolarHBondContact OG-OE1 3.18Å; G290-E294 WeakPolarHBondContact O-CG 3.5Å; G290-E294 PolarHBondContact O-N 3.29Å; N292-E294 VanDerWaalsContact C-N 3.35Å; E294-W298 WeakPolarHBondContact O-CB 3.41Å; E294-W298 PolarHBondContact O-N 3.04Å
295E98.1Very high96.6Very high1 Ų128 Ų281%0.00513%0.13CC..Hα-helixtrans-64.2-43.3171.2179.7168.5-13700112H269 S276 K277 F280 D291 N292 W298 M299H269-E295 IonicContact CD2-OE2 2.98Å; H269-E295 IonicContact CE1-OE2 3.63Å; H269-E295 IonicContact NE2-OE2 3.26Å; H269-E295 PolarHBondContact NE2-OE2 3.18Å; S276-E295 WeakPolarHBondContact CA-OE2 3.44Å; K277-E295 VanDerWaalsContact CD-OE1 3.24Å; K277-E295 WeakPolarHBondContact CD-OE1 3.34Å; K277-E295 WeakPolarHBondContact CE-OE1 3.35Å; K277-E295 WeakPolarHBondContact CG-OE1 3.48Å; F280-E295 HydrophobicContact CD1-CB 4.36Å; F280-E295 HydrophobicContact CD2-CB 3.58Å; F280-E295 HydrophobicContact CD2-CG 3.8Å; F280-E295 HydrophobicContact CE1-CB 4.43Å; F280-E295 HydrophobicContact CE2-CB 3.64Å; F280-E295 HydrophobicContact CE2-CG 3.54Å; F280-E295 HydrophobicContact CG-CB 3.96Å; F280-E295 HydrophobicContact CZ-CB 4.1Å; F280-E295 HydrophobicContact CZ-CG 4.24Å; D291-E295 PolarHBondContact O-N 2.98Å; D291-E295 VanDerWaalsContact O-N 3.09Å; N292-E295 PolarHBondContact O-N 3.41Å; E295-W298 WeakPolarHBondContact O-CB 3.33Å; E295-W298 PolarHBondContact O-N 3.36Å; E295-M299 HydrophobicContact CG-SD 4.28Å; E295-M299 WeakPolarHBondContact O-CG 3.35Å; E295-M299 PolarHBondContact O-N 3.46Å
296M98.4Very high97Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-60.4-46.5176.4178-169.768.100111.2A14 L17 I35 F267 H269 V270 N292 V293 W298 M299 V300 F320A14-M296 HydrophobicContact CB-CE 4.46Å; A14-M296 HydrophobicContact CB-SD 3.61Å; L17-M296 HydrophobicContact CD1-CE 4.05Å; L17-M296 HydrophobicContact CD2-CE 3.88Å; I35-M296 HydrophobicContact CD1-CE 3.95Å; F267-M296 HydrophobicContact CD1-CB 4.44Å; F267-M296 HydrophobicContact CD1-CG 3.65Å; F267-M296 HydrophobicContact CD2-CG 4.37Å; F267-M296 HydrophobicContact CE1-CG 3.77Å; F267-M296 HydrophobicContact CE2-CG 4.47Å; F267-M296 HydrophobicContact CG-CG 3.99Å; F267-M296 HydrophobicContact CG-SD 4.4Å; F267-M296 HydrophobicContact CZ-CG 4.2Å; H269-M296 HydrophobicContact CB-CB 3.76Å; H269-M296 HydrophobicContact CB-CG 4.07Å; H269-M296 HydrophobicContact CB-SD 4.16Å; V270-M296 HydrophobicContact CG1-SD 4.48Å; N292-M296 PolarHBondContact O-N 3.26Å; V293-M296 HydrophobicContact CG1-CE 4.1Å; V293-M296 WeakPolarHBondContact O-CB 3.39Å; V293-M296 PolarHBondContact O-N 3.02Å; M296-W298 VanDerWaalsContact C-N 3.32Å; M296-W298 PolarHBondContact O-N 3.25Å; M296-M299 WeakPolarHBondContact O-CB 3.39Å; M296-M299 PolarHBondContact O-N 3.32Å; M296-M299 VanDerWaalsContact O-N 3.13Å; M296-V300 WeakPolarHBondContact O-CG2 3.19Å; M296-V300 PolarHBondContact O-N 2.96Å; M296-F320 HydrophobicContact CE-CE2 4.47Å; M296-F320 HydrophobicContact CE-CZ 4.03Å; M296-F320 HydrophobicContact SD-CZ 4.47Å
297D98.7Very high97.5Very high4 Ų416.6 Ų16.62%0.0218%0.082CC..Hα-helixtrans-58.1-44.4175.5179.982.9000111.6T32 P33 N34 I35 V293 M299 V300 G301T32-D297 VanDerWaalsContact C-CG 3.47Å; T32-D297 VanDerWaalsContact CA-CG 3.45Å; T32-D297 VanDerWaalsContact CA-OD1 3.28Å; T32-D297 WeakPolarHBondContact CA-OD1 3.47Å; T32-D297 HydrophobicContact CG2-CB 4.36Å; P33-D297 WeakPolarHBondContact CD-OD2 3.47Å; N34-D297 WeakPolarHBondContact CB-O 3.47Å; N34-D297 WeakPolarHBondContact CB-OD2 3.47Å; N34-D297 PolarHBondContact N-OD1 3.36Å; N34-D297 PolarHBondContact N-OD2 3.42Å; N34-D297 VanDerWaalsContact N-OD2 3.11Å; N34-D297 PolarHBondContact ND2-O 2.91Å; N34-D297 PolarHBondContact ND2-OD2 2.88Å; I35-D297 WeakPolarHBondContact CB-OD1 3.35Å; I35-D297 HydrophobicContact CD1-CB 4.1Å; I35-D297 VanDerWaalsContact CG1-OD1 3.3Å; I35-D297 WeakPolarHBondContact CG1-OD1 3.13Å; I35-D297 PolarHBondContact N-OD1 3.01Å; V293-D297 PolarHBondContact O-N 3.49Å; D297-M299 VanDerWaalsContact C-N 3.31Å; D297-M299 PolarHBondContact O-N 3.28Å; D297-V300 WeakPolarHBondContact O-CB 3.45Å; D297-V300 PolarHBondContact O-N 3.42Å; D297-V300 VanDerWaalsContact O-N 3.16Å; D297-G301 PolarHBondContact O-N 2.98Å
298W98.5Very high97.7Very high67 Ų6717.8 Ų17.825%0.2548%0.081SC..Hα-helixtrans-60.3-40.1175.2171.683.2000112.5L246 F280 E294 E295 M296 G301 K302L246-W298 HydrophobicContact CD2-CE3 4.38Å; L246-W298 HydrophobicContact CD2-CH2 3.5Å; L246-W298 VanDerWaalsContact CD2-CH2 3.5Å; L246-W298 HydrophobicContact CD2-CZ2 4.46Å; L246-W298 HydrophobicContact CD2-CZ3 3.46Å; L246-W298 VanDerWaalsContact CD2-CZ3 3.46Å; F280-W298 HydrophobicContact CE1-CB 4.1Å; F280-W298 HydrophobicContact CE1-CG 4.48Å; F280-W298 HydrophobicContact CE2-CE3 4.33Å; F280-W298 HydrophobicContact CZ-CB 3.65Å; F280-W298 AromaticContact CZ-CD2 3.97Å; F280-W298 HydrophobicContact CZ-CD2 3.97Å; F280-W298 HydrophobicContact CZ-CE3 4.18Å; F280-W298 AromaticContact CZ-CG 3.72Å; F280-W298 HydrophobicContact CZ-CG 3.72Å; E294-W298 WeakPolarHBondContact O-CB 3.41Å; E294-W298 PolarHBondContact O-N 3.04Å; E295-W298 WeakPolarHBondContact O-CB 3.33Å; E295-W298 PolarHBondContact O-N 3.36Å; M296-W298 VanDerWaalsContact C-N 3.32Å; M296-W298 PolarHBondContact O-N 3.25Å; W298-G301 PolarHBondContact O-N 2.94Å; W298-K302 HydrophobicContact CD2-CG 4.3Å; W298-K302 HydrophobicContact CH2-CG 4.25Å; W298-K302 HydrophobicContact CZ2-CD 4.18Å; W298-K302 HydrophobicContact CZ2-CG 3.83Å; W298-K302 WeakPolarHBondContact O-CG 3.32Å; W298-K302 PolarHBondContact O-N 3.11Å
299M98.7Very high98Very high1 Ų122 Ų221%0.00510%0.097CC..Hα-helixtrans-65-40175.1-70.4172.266.300111.8A242 L246 F265 F267 E295 M296 D297 G301 K302 I303A242-M299 HydrophobicContact CB-SD 4.35Å; L246-M299 HydrophobicContact CB-CE 4.12Å; L246-M299 HydrophobicContact CD1-CB 4.48Å; L246-M299 HydrophobicContact CD2-CG 4.28Å; F265-M299 HydrophobicContact CE1-CE 3.77Å; F265-M299 HydrophobicContact CZ-CE 3.45Å; F265-M299 VanDerWaalsContact CZ-CE 3.45Å; F267-M299 HydrophobicContact CD1-CE 4.21Å; F267-M299 HydrophobicContact CD1-SD 4.5Å; F267-M299 HydrophobicContact CE1-CB 3.86Å; F267-M299 HydrophobicContact CE1-CE 4.02Å; F267-M299 HydrophobicContact CE1-SD 4.31Å; E295-M299 HydrophobicContact CG-SD 4.28Å; E295-M299 WeakPolarHBondContact O-CG 3.35Å; E295-M299 PolarHBondContact O-N 3.46Å; M296-M299 WeakPolarHBondContact O-CB 3.39Å; M296-M299 PolarHBondContact O-N 3.32Å; M296-M299 VanDerWaalsContact O-N 3.13Å; D297-M299 VanDerWaalsContact C-N 3.31Å; D297-M299 PolarHBondContact O-N 3.28Å; M299-G301 VanDerWaalsContact C-N 3.34Å; M299-K302 PolarHBondContact O-N 3.27Å; M299-I303 WeakPolarHBondContact O-CG1 3.06Å; M299-I303 PolarHBondContact O-N 2.91Å; M299-I303 VanDerWaalsContact O-N 3.13Å
300V98.9Very high98.1Very high0 Ų024 Ų240%011%0.107CC..Hα-helixtrans-56.2-51171.1170.90000109.5L12 N34 I35 L38 F267 M296 D297 K302 I303 L304 F320L12-V300 HydrophobicContact CD1-CG1 4.03Å; L12-V300 HydrophobicContact CD1-CG2 4.26Å; N34-V300 HydrophobicContact CB-CG1 4.49Å; I35-V300 HydrophobicContact CD1-CG2 4.4Å; I35-V300 HydrophobicContact CG1-CB 4.27Å; I35-V300 HydrophobicContact CG1-CG1 4.12Å; I35-V300 HydrophobicContact CG1-CG2 4.15Å; L38-V300 HydrophobicContact CD1-CG1 3.78Å; F267-V300 HydrophobicContact CE2-CG2 4.22Å; F267-V300 HydrophobicContact CZ-CG2 3.69Å; M296-V300 WeakPolarHBondContact O-CG2 3.19Å; M296-V300 PolarHBondContact O-N 2.96Å; D297-V300 WeakPolarHBondContact O-CB 3.45Å; D297-V300 PolarHBondContact O-N 3.42Å; D297-V300 VanDerWaalsContact O-N 3.16Å; V300-K302 VanDerWaalsContact C-N 3.29Å; V300-K302 PolarHBondContact O-N 3.46Å; V300-I303 PolarHBondContact O-N 3.07Å; V300-L304 HydrophobicContact CG1-CD1 3.94Å; V300-L304 HydrophobicContact CG1-CG 4.28Å; V300-L304 WeakPolarHBondContact O-CG 2.97Å; V300-L304 PolarHBondContact O-N 3.01Å; V300-F320 HydrophobicContact CG2-CD2 4.21Å; V300-F320 HydrophobicContact CG2-CE2 4.07Å
301G98.8Very high98.2Very high1 Ų129.5 Ų29.51%0.0114%0.144CC..Hα-helixtrans-52.4-44.8176.400000113.1N34 D297 W298 M299 I303 L304 D305N34-G301 VanDerWaalsContact CG-CA 3.41Å; N34-G301 VanDerWaalsContact OD1-CA 3.3Å; N34-G301 WeakPolarHBondContact OD1-CA 3.28Å; D297-G301 PolarHBondContact O-N 2.98Å; W298-G301 PolarHBondContact O-N 2.94Å; M299-G301 VanDerWaalsContact C-N 3.34Å; G301-I303 VanDerWaalsContact C-N 3.34Å; G301-I303 PolarHBondContact O-N 3.25Å; G301-L304 PolarHBondContact O-N 3.22Å; G301-D305 WeakPolarHBondContact O-CB 2.99Å; G301-D305 PolarHBondContact O-N 3.44Å
302K98.8Very high98.3Very high72 Ų7230.2 Ų30.231%0.31315%0.147SC..Hα-helixtrans-64.5-35178.6-69.9-70.8150-131.50113.8L246 L250 W298 M299 V300 D305 A306L246-K302 HydrophobicContact CD1-CB 3.86Å; L246-K302 HydrophobicContact CD2-CB 3.99Å; L246-K302 HydrophobicContact CD2-CG 4.09Å; L246-K302 HydrophobicContact CG-CB 4.48Å; L250-K302 WeakPolarHBondContact CD2-O 3.39Å; W298-K302 HydrophobicContact CD2-CG 4.3Å; W298-K302 HydrophobicContact CH2-CG 4.25Å; W298-K302 HydrophobicContact CZ2-CD 4.18Å; W298-K302 HydrophobicContact CZ2-CG 3.83Å; W298-K302 WeakPolarHBondContact O-CG 3.32Å; W298-K302 PolarHBondContact O-N 3.11Å; M299-K302 PolarHBondContact O-N 3.27Å; V300-K302 VanDerWaalsContact C-N 3.29Å; V300-K302 PolarHBondContact O-N 3.46Å; K302-D305 IonicContact NZ-OD2 3.7Å; K302-D305 PolarHBondContact NZ-OD2 3.3Å; K302-A306 PolarHBondContact O-N 2.83Å
303I98.8Very high98.3Very high0 Ų030.6 Ų30.60%015%0.151CC..Hα-helixtrans-69.5-41.9174.7-66.7168.6000110V10 L12 L246 I253 F265 M299 V300 G301 A306 L307V10-I303 HydrophobicContact CG1-CG2 4.12Å; L12-I303 HydrophobicContact CD2-CD1 3.89Å; L246-I303 HydrophobicContact CD1-CG1 4.04Å; I253-I303 HydrophobicContact CD1-CG2 4.19Å; F265-I303 HydrophobicContact CB-CD1 4.39Å; F265-I303 HydrophobicContact CD1-CD1 4.42Å; F265-I303 HydrophobicContact CD2-CD1 3.86Å; F265-I303 HydrophobicContact CE2-CD1 4.22Å; F265-I303 HydrophobicContact CG-CD1 3.95Å; M299-I303 WeakPolarHBondContact O-CG1 3.06Å; M299-I303 PolarHBondContact O-N 2.91Å; M299-I303 VanDerWaalsContact O-N 3.13Å; V300-I303 PolarHBondContact O-N 3.07Å; G301-I303 VanDerWaalsContact C-N 3.34Å; G301-I303 PolarHBondContact O-N 3.25Å; I303-A306 PolarHBondContact O-N 3.35Å; I303-L307 PolarHBondContact O-N 3.19Å; I303-L307 VanDerWaalsContact O-N 3.13Å
304L98.8Very high98.3Very high0 Ų035.6 Ų35.60%018%0.178CC..Hα-helixtrans-64.9-44.7176.9-58.7176.9000112.1L38 V300 G301 A306 L307 D308 V318L38-L304 HydrophobicContact CD1-CD1 4.25Å; L38-L304 HydrophobicContact CD2-CD1 3.59Å; L38-L304 HydrophobicContact CD2-CD2 3.63Å; L38-L304 HydrophobicContact CD2-CG 4.25Å; L38-L304 HydrophobicContact CG-CD1 3.7Å; L38-L304 HydrophobicContact CG-CD2 4.46Å; V300-L304 HydrophobicContact CG1-CD1 3.94Å; V300-L304 HydrophobicContact CG1-CG 4.28Å; V300-L304 WeakPolarHBondContact O-CG 2.97Å; V300-L304 PolarHBondContact O-N 3.01Å; G301-L304 PolarHBondContact O-N 3.22Å; L304-A306 PolarHBondContact O-N 3.13Å; L304-L307 HydrophobicContact CD2-CD1 4.44Å; L304-L307 PolarHBondContact O-N 3.35Å; L304-L307 VanDerWaalsContact O-N 3.08Å; L304-D308 PolarHBondContact O-N 2.88Å; L304-V318 HydrophobicContact CD2-CG1 4.13Å; L304-V318 HydrophobicContact CD2-CG2 4.23Å
305D98.6Very high98.2Very high63 Ų6338.5 Ų38.534%0.33719%0.194SC..Hα-helixtrans-54.2-39.3174.5-69.9-16.4000111.1G301 K302 D308 R309G301-D305 WeakPolarHBondContact O-CB 2.99Å; G301-D305 PolarHBondContact O-N 3.44Å; K302-D305 IonicContact NZ-OD2 3.7Å; K302-D305 PolarHBondContact NZ-OD2 3.3Å; D305-D308 PolarHBondContact O-N 2.84Å; D305-R309 VanDerWaalsContact O-CB 3.25Å; D305-R309 WeakPolarHBondContact O-CB 3.49Å; D305-R309 PolarHBondContact O-N 2.03Å
306A98.6Very high98.2Very high5 Ų538.5 Ų38.54%0.04119%0.194CC..Hα-helixtrans-70.3-40178.200000112.5L250 K302 I303 L304 D308 R309 E310L250-A306 HydrophobicContact CD2-CB 3.63Å; K302-A306 PolarHBondContact O-N 2.83Å; I303-A306 PolarHBondContact O-N 3.35Å; L304-A306 PolarHBondContact O-N 3.13Å; A306-D308 VanDerWaalsContact C-N 3.31Å; A306-D308 PolarHBondContact O-N 3.1Å; A306-R309 PolarHBondContact O-N 3.4Å; A306-E310 WeakPolarHBondContact O-CB 3.44Å; A306-E310 WeakPolarHBondContact O-CG 3.38Å; A306-E310 PolarHBondContact O-N 2.99Å
307L98.6Very high98.2Very high0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-63.1-39.3173.3-64.7175.4000111.7V10 I253 F261 I303 L304 C311 L312 A313 T316 V318V10-L307 HydrophobicContact CG2-CD1 4.15Å; V10-L307 HydrophobicContact CG2-CD2 4.28Å; I253-L307 HydrophobicContact CD1-CD2 4.29Å; I253-L307 HydrophobicContact CG2-CD2 4.48Å; F261-L307 HydrophobicContact CZ-CD2 4.19Å; I303-L307 PolarHBondContact O-N 3.19Å; I303-L307 VanDerWaalsContact O-N 3.13Å; L304-L307 HydrophobicContact CD2-CD1 4.44Å; L304-L307 PolarHBondContact O-N 3.35Å; L304-L307 VanDerWaalsContact O-N 3.08Å; L307-C311 PolarHBondContact O-N 3.27Å; L307-L312 HydrophobicContact CD2-CB 4.18Å; L307-L312 HydrophobicContact CD2-CD1 4.3Å; L307-L312 PolarHBondContact O-N 3.07Å; L307-A313 PolarHBondContact O-N 3.27Å; L307-T316 HydrophobicContact CD1-CG2 3.91Å; L307-T316 HydrophobicContact CD2-CG2 4.14Å; L307-V318 HydrophobicContact CD1-CG2 3.72Å
308D98.1Very high98.2Very high56 Ų5638.4 Ų38.430%0.29919%0.193SC..Hα-helixtrans-67.5-47.5177.4-67.7-18.5000110.4R37 L304 D305 A306 E310 C311 A313 R364R37-D308 IonicContact CZ-OD2 3.3Å; R37-D308 IonicContact NH1-OD2 2.82Å; R37-D308 IonicContact NH2-OD2 2.98Å; R37-D308 PolarHBondContact NH2-OD2 2.94Å; L304-D308 PolarHBondContact O-N 2.88Å; D305-D308 PolarHBondContact O-N 2.84Å; A306-D308 VanDerWaalsContact C-N 3.31Å; A306-D308 PolarHBondContact O-N 3.1Å; D308-E310 PolarHBondContact O-N 3.46Å; D308-C311 PolarHBondContact O-N 2.76Å; D308-A313 WeakPolarHBondContact OD1-CB 3.44Å; D308-R364 IonicContact OD1-NH1 3.43Å; D308-R364 IonicContact OD1-NH2 3.04Å
309R97.9Very high98.3Very high169 Ų16935.3 Ų35.364%0.63818%0.181SC*.Hα-helixtrans-61.1-41.4-179.9-173.5-176.770.7-160.4-2.4113.1D305 A306 C311D305-R309 VanDerWaalsContact O-CB 3.25Å; D305-R309 WeakPolarHBondContact O-CB 3.49Å; D305-R309 PolarHBondContact O-N 2.03Å; A306-R309 PolarHBondContact O-N 3.4Å; R309-C311 PolarHBondContact O-N 2.82Å
310E97.6Very high98.3Very high43 Ų4335.2 Ų35.220%0.20118%0.181CC..THydrogen-bonded Turntrans-83.17.7177.7-57.1-49136.400112.8E254 K257 A306 D308 L312E254-E310 VanDerWaalsContact OE2-CD 3.29Å; K257-E310 HydrophobicContact CD-CB 4.48Å; K257-E310 HydrophobicContact CD-CG 4.31Å; K257-E310 IonicContact NZ-OE2 2.7Å; K257-E310 PolarHBondContact NZ-OE2 2.98Å; A306-E310 WeakPolarHBondContact O-CB 3.44Å; A306-E310 WeakPolarHBondContact O-CG 3.38Å; A306-E310 PolarHBondContact O-N 2.99Å; D308-E310 PolarHBondContact O-N 3.46Å; E310-L312 HydrophobicContact CB-CD1 3.85Å; E310-L312 HydrophobicContact CB-CG 3.84Å; E310-L312 PolarHBondContact O-N 2.96Å
311C97.5Very high98.3Very high115 Ų11535.2 Ų35.278%0.77718%0.181SC*.THydrogen-bonded Turntrans56.731.7-178.8-59.30000113.9L307 D308 R309L307-C311 PolarHBondContact O-N 3.27Å; D308-C311 PolarHBondContact O-N 2.76Å; R309-C311 PolarHBondContact O-N 2.82Å
312L98.1Very high98.3Very high19 Ų1935.2 Ų35.210%0.09918%0.181CC..  trans-94.5-18.2-178.3-60.2175.7000113I253 K257 F261 L307 E310 N314 N315 T316I253-L312 HydrophobicContact CG2-CD1 3.9Å; K257-L312 HydrophobicContact CB-CD1 3.98Å; K257-L312 HydrophobicContact CB-CD2 4.46Å; F261-L312 HydrophobicContact CE1-CD1 4.03Å; F261-L312 HydrophobicContact CZ-CD1 4.29Å; L307-L312 HydrophobicContact CD2-CB 4.18Å; L307-L312 HydrophobicContact CD2-CD1 4.3Å; L307-L312 PolarHBondContact O-N 3.07Å; E310-L312 HydrophobicContact CB-CD1 3.85Å; E310-L312 HydrophobicContact CB-CG 3.84Å; E310-L312 PolarHBondContact O-N 2.96Å; L312-N314 VanDerWaalsContact C-N 3.34Å; L312-N314 PolarHBondContact O-N 2.84Å; L312-N315 CarbonylContact O-C 3.59Å; L312-N315 PolarHBondContact O-N 3.11Å; L312-T316 WeakPolarHBondContact O-CB 3.19Å; L312-T316 PolarHBondContact O-N 3.19Å; L312-T316 PolarHBondContact O-OG1 3.35Å
313A97.6Very high98.2Very high11 Ų1131.8 Ų31.89%0.09117%0.166CC..G310 helixtrans-51-46.4-170.400000114L307 D308 N315 T316 P366L307-A313 PolarHBondContact O-N 3.27Å; D308-A313 WeakPolarHBondContact OD1-CB 3.44Å; A313-N315 PolarHBondContact O-N 3.44Å; A313-T316 PolarHBondContact O-N 3.02Å; A313-P366 WeakPolarHBondContact O-CD 3.18Å
314N96.5Very high98.2Very high106 Ų10631.8 Ų31.857%0.56717%0.166SC*.G310 helixtrans-65.5-25.3-178.9-74-19.7000113.5L312 W365 S367L312-N314 VanDerWaalsContact C-N 3.34Å; L312-N314 PolarHBondContact O-N 2.84Å; N314-W365 PolarHBondContact O-NE1 3.49Å; N314-W365 VanDerWaalsContact O-NE1 3.13Å; N314-S367 WeakPolarHBondContact O-CB 3.27Å; N314-S367 PolarHBondContact O-OG 3.25Å
315N96.6Very high98.1Very high76 Ų7631.8 Ų31.841%0.40617%0.166SC..G310 helixtrans-108.723.3179.1-167.341.7000112.4P7 N8 L312 A313P7-N315 WeakPolarHBondContact CB-O 3.28Å; N8-N315 PolarHBondContact N-O 3.34Å; L312-N315 CarbonylContact O-C 3.59Å; L312-N315 PolarHBondContact O-N 3.11Å; A313-N315 PolarHBondContact O-N 3.44Å
316T98.4Very high98Very high1 Ų128.8 Ų28.81%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-124.6123.9-179.1-53.70000110.4N8 V10 L307 L312 A313 V318N8-T316 HydrophobicContact CB-CG2 3.87Å; N8-T316 WeakPolarHBondContact CB-OG1 3.36Å; N8-T316 CarbonylContact O-C 3.31Å; N8-T316 WeakPolarHBondContact O-CA 3.17Å; V10-T316 HydrophobicContact CB-CG2 4.35Å; V10-T316 HydrophobicContact CG2-CG2 3.73Å; L307-T316 HydrophobicContact CD1-CG2 3.91Å; L307-T316 HydrophobicContact CD2-CG2 4.14Å; L312-T316 WeakPolarHBondContact O-CB 3.19Å; L312-T316 PolarHBondContact O-N 3.19Å; L312-T316 PolarHBondContact O-OG1 3.35Å; A313-T316 PolarHBondContact O-N 3.02Å; T316-V318 HydrophobicContact CG2-CG2 4.09Å
317L98.6Very high97.9Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-80.7117163.6178.263.5000108.6N8 V10 F363 W365 L369 L388 I391N8-L317 PolarHBondContact O-N 2.7Å; V10-L317 PolarHBondContact N-O 3.32Å; L317-F363 HydrophobicContact CD1-CD1 4.03Å; L317-W365 HydrophobicContact CB-CD2 4.22Å; L317-W365 HydrophobicContact CB-CE3 3.93Å; L317-W365 HydrophobicContact CB-CZ3 4.39Å; L317-W365 HydrophobicContact CD1-CB 3.97Å; L317-W365 HydrophobicContact CD1-CD2 4.47Å; L317-W365 HydrophobicContact CD1-CE3 3.92Å; L317-W365 HydrophobicContact CG-CE3 4.38Å; L317-L369 HydrophobicContact CD1-CD1 4.43Å; L317-L388 HydrophobicContact CD2-CD2 4.15Å; L317-I391 HydrophobicContact CB-CD1 4.48Å; L317-I391 HydrophobicContact CD2-CD1 3.4Å
318V98.9Very high97.7Very high2 Ų230.3 Ų30.31%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-104131.5169.9-173.40000108.8V10 L12 L38 L304 L307 T316 F363 R364V10-V318 HydrophobicContact CB-CG1 4.49Å; V10-V318 HydrophobicContact CB-CG2 4.29Å; V10-V318 HydrophobicContact CG1-CG1 4.44Å; V10-V318 CarbonylContact O-C 3.59Å; V10-V318 WeakPolarHBondContact O-CA 3.4Å; L12-V318 HydrophobicContact CD1-CG1 3.8Å; L12-V318 HydrophobicContact CG-CG1 4.49Å; L38-V318 HydrophobicContact CD1-CG1 4.4Å; L38-V318 HydrophobicContact CD2-CB 4.45Å; L38-V318 HydrophobicContact CD2-CG1 4.08Å; L304-V318 HydrophobicContact CD2-CG1 4.13Å; L304-V318 HydrophobicContact CD2-CG2 4.23Å; L307-V318 HydrophobicContact CD1-CG2 3.72Å; T316-V318 HydrophobicContact CG2-CG2 4.09Å; V318-F363 CarbonylContact O-C 3.59Å; V318-F363 WeakPolarHBondContact O-CA 3.38Å; V318-R364 HydrophobicContact CB-CB 4.38Å; V318-R364 PolarHBondContact N-O 2.96Å; V318-R364 PolarHBondContact O-N 3.24Å
319Y98.9Very high97.4Very high1 Ų128.2 Ų28.20%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-128.7128.3175.8166.2-109.5000110.3V10 L11 L12 H48 F62 T321 I362 F363 L381 I384V10-Y319 PolarHBondContact O-N 3.11Å; L11-Y319 HydrophobicContact CD2-CD1 4.05Å; L12-Y319 WeakPolarHBondContact CB-O 3.44Å; L12-Y319 PolarHBondContact N-O 3.38Å; H48-Y319 AromaticContact NE2-CE2 3.8Å; H48-Y319 AromaticContact NE2-CZ 3.63Å; H48-Y319 PolarHBondContact NE2-OH 2.83Å; F62-Y319 HydrophobicContact CE2-CD1 4.4Å; F62-Y319 AromaticContact CE2-CE1 3.62Å; F62-Y319 HydrophobicContact CE2-CE1 3.62Å; F62-Y319 HydrophobicContact CZ-CD1 4.43Å; F62-Y319 HydrophobicContact CZ-CE1 4.03Å; Y319-T321 HydrophobicContact CD1-CG2 4.44Å; Y319-T321 HydrophobicContact CE1-CG2 3.44Å; Y319-T321 VanDerWaalsContact CE1-CG2 3.44Å; Y319-T321 VanDerWaalsContact CZ-CB 3.48Å; Y319-T321 VanDerWaalsContact OH-CB 3.25Å; Y319-T321 WeakPolarHBondContact OH-CB 3.3Å; Y319-T321 WeakPolarHBondContact OH-CG2 3.48Å; Y319-T321 PolarHBondContact OH-OG1 3.18Å; Y319-I362 CarbonylContact C-O 3.57Å; Y319-I362 VanDerWaalsContact CA-O 3.3Å; Y319-I362 WeakPolarHBondContact CA-O 3.3Å; Y319-I362 WeakPolarHBondContact CD2-O 3.43Å; Y319-F363 AromaticContact CD2-CD1 3.77Å; Y319-F363 HydrophobicContact CD2-CD1 3.77Å; Y319-F363 AromaticContact CD2-CD2 3.81Å; Y319-F363 HydrophobicContact CD2-CD2 3.81Å; Y319-F363 AromaticContact CD2-CE1 3.39Å; Y319-F363 HydrophobicContact CD2-CE1 3.39Å; Y319-F363 AromaticContact CD2-CE2 3.39Å; Y319-F363 HydrophobicContact CD2-CE2 3.39Å; Y319-F363 AromaticContact CD2-CG 3.99Å; Y319-F363 HydrophobicContact CD2-CG 3.99Å; Y319-F363 AromaticContact CD2-CZ 3.18Å; Y319-F363 HydrophobicContact CD2-CZ 3.18Å; Y319-F363 HydrophobicContact CE2-CD2 4.19Å; Y319-F363 HydrophobicContact CE2-CE1 4.06Å; Y319-F363 AromaticContact CE2-CE2 3.42Å; Y319-F363 HydrophobicContact CE2-CE2 3.42Å; Y319-F363 VanDerWaalsContact CE2-CE2 3.42Å; Y319-F363 AromaticContact CE2-CZ 3.37Å; Y319-F363 HydrophobicContact CE2-CZ 3.37Å; Y319-F363 HydrophobicContact CG-CD1 4.24Å; Y319-F363 AromaticContact CG-CE1 3.82Å; Y319-F363 HydrophobicContact CG-CE1 3.82Å; Y319-F363 AromaticContact CG-CZ 4Å; Y319-F363 HydrophobicContact CG-CZ 4Å; Y319-L381 WeakPolarHBondContact OH-CD2 3.26Å; Y319-I384 HydrophobicContact CD1-CD1 3.93Å; Y319-I384 HydrophobicContact CD1-CG1 4.35Å; Y319-I384 HydrophobicContact CE1-CD1 4.27Å; Y319-I384 HydrophobicContact CE1-CG1 4.42Å; Y319-I384 HydrophobicContact CG-CD1 4.12Å
320F98.9Very high97Very high0 Ų021.3 Ų21.30%012%0.122CC..EExtended strand (participates in β ladder)trans-116.7134.5177.2-179.9-83.5000111.4L12 A14 L17 L22 I35 L38 M296 V300 P360 I362L12-F320 HydrophobicContact CB-CB 4.32Å; L12-F320 HydrophobicContact CB-CD2 3.78Å; L12-F320 HydrophobicContact CB-CG 4.48Å; L12-F320 HydrophobicContact CD1-CD2 4.36Å; L12-F320 CarbonylContact O-C 3.45Å; L12-F320 WeakPolarHBondContact O-CA 3.41Å; A14-F320 HydrophobicContact CB-CZ 4.34Å; L17-F320 HydrophobicContact CD2-CE1 3.82Å; L17-F320 HydrophobicContact CD2-CZ 3.7Å; L22-F320 HydrophobicContact CD1-CE1 3.91Å; I35-F320 HydrophobicContact CD1-CD2 4.49Å; I35-F320 HydrophobicContact CD1-CE1 4.31Å; I35-F320 HydrophobicContact CD1-CE2 3.73Å; I35-F320 HydrophobicContact CD1-CZ 3.63Å; I35-F320 HydrophobicContact CG1-CD2 4.36Å; I35-F320 HydrophobicContact CG1-CE2 4.08Å; I35-F320 HydrophobicContact CG1-CZ 4.27Å; I35-F320 HydrophobicContact CG2-CD1 4.15Å; I35-F320 HydrophobicContact CG2-CE1 4.17Å; L38-F320 HydrophobicContact CD1-CB 4.1Å; M296-F320 HydrophobicContact CE-CE2 4.47Å; M296-F320 HydrophobicContact CE-CZ 4.03Å; M296-F320 HydrophobicContact SD-CZ 4.47Å; V300-F320 HydrophobicContact CG2-CD2 4.21Å; V300-F320 HydrophobicContact CG2-CE2 4.07Å; F320-P360 HydrophobicContact CD1-CB 4.4Å; F320-P360 HydrophobicContact CE1-CB 4.23Å; F320-I362 HydrophobicContact CB-CB 4.31Å; F320-I362 HydrophobicContact CD1-CD1 4.17Å; F320-I362 PolarHBondContact N-O 2.83Å; F320-I362 PolarHBondContact O-N 2.85Å
321T98.9Very high96.4Very high0 Ų023.4 Ų23.40%013%0.134CC..EExtended strand (participates in β ladder)trans-157.4-176.6176.9-1620000113.1L12 M13 A14 Y319 P360 L381L12-T321 PolarHBondContact O-N 3.25Å; M13-T321 WeakPolarHBondContact CA-O 3.41Å; M13-T321 HydrophobicContact CB-CG2 4.39Å; M13-T321 HydrophobicContact CE-CG2 3.88Å; M13-T321 HydrophobicContact CG-CG2 4.33Å; A14-T321 PolarHBondContact N-O 2.92Å; Y319-T321 HydrophobicContact CD1-CG2 4.44Å; Y319-T321 HydrophobicContact CE1-CG2 3.44Å; Y319-T321 VanDerWaalsContact CE1-CG2 3.44Å; Y319-T321 VanDerWaalsContact CZ-CB 3.48Å; Y319-T321 VanDerWaalsContact OH-CB 3.25Å; Y319-T321 WeakPolarHBondContact OH-CB 3.3Å; Y319-T321 WeakPolarHBondContact OH-CG2 3.48Å; Y319-T321 PolarHBondContact OH-OG1 3.18Å; T321-P360 VanDerWaalsContact CA-O 3.29Å; T321-P360 WeakPolarHBondContact CA-O 3.39Å; T321-P360 WeakPolarHBondContact CB-O 3.14Å; T321-P360 PolarHBondContact OG1-O 2.9Å; T321-L381 HydrophobicContact CG2-CD2 3.83Å; T321-L381 WeakPolarHBondContact OG1-CD2 3.09Å
322S98.8Very high95.7Very high0 Ų021.3 Ų21.30%012%0.115CC..EExtended strand (participates in β ladder)trans-120.5150.8167.2-170.80000109.7L17 N324L17-S322 PolarHBondContact N-OG 3.37Å; L17-S322 VanDerWaalsContact O-CB 3.23Å; L17-S322 WeakPolarHBondContact O-CB 3.5Å; L17-S322 PolarHBondContact O-OG 2.04Å; S322-N324 PolarHBondContact OG-O 2.84Å
323D98.2Very high94.9Very high0 Ų023.7 Ų23.70%015%0.145CC..SBendtrans-68.7-3517658.6-5.6000113M13 A14 D15 D16 A50 C55 S58 R59M13-D323 HydrophobicContact CG-CB 4.27Å; M13-D323 HydrophobicContact SD-CB 3.86Å; A14-D323 PolarHBondContact O-N 3.31Å; A14-D323 VanDerWaalsContact O-N 3.14Å; D15-D323 VanDerWaalsContact OD1-OD2 3.13Å; D16-D323 PolarHBondContact N-OD1 3.32Å; D16-D323 VanDerWaalsContact N-OD1 3.14Å; A50-D323 VanDerWaalsContact CB-O 3.25Å; A50-D323 WeakPolarHBondContact CB-O 3.23Å; C55-D323 WeakPolarHBondContact CA-OD2 3.03Å; C55-D323 WeakPolarHBondContact CB-OD2 3.4Å; S58-D323 WeakPolarHBondContact CB-O 3.45Å; S58-D323 PolarHBondContact OG-O 2.8Å; R59-D323 HydrophobicContact CG-CB 4.21Å; R59-D323 IonicContact CZ-OD2 2.87Å; R59-D323 VanDerWaalsContact CZ-OD2 3.3Å; R59-D323 IonicContact NE-OD2 2.89Å; R59-D323 PolarHBondContact NE-OD2 3.3Å; R59-D323 IonicContact NH2-OD2 3.52Å; R59-D323 PolarHBondContact NH2-OD2 3.48Å
324N98.3Very high94Very high0 Ų028.2 Ų28.20%018%0.182CC..SBendtrans-151.3177.3171.650.7-111.2000110.9D16 M54 C55 S322 V359D16-N324 PolarHBondContact OD1-ND2 2.68Å; M54-N324 VanDerWaalsContact C-OD1 3.24Å; C55-N324 PolarHBondContact N-OD1 2.61Å; C55-N324 VanDerWaalsContact N-OD1 3.08Å; S322-N324 PolarHBondContact OG-O 2.84Å; N324-V359 VanDerWaalsContact C-CG1 3.44Å
325G97.4Very high93.4Very high0 Ų026.6 Ų26.60%018%0.176CC..  trans-67.5168.1174.800000113.4G355 G356G325-G355 WeakPolarHBondContact CA-O 3.18Å; G325-G356 PolarHBondContact N-O 2.83Å
326G96.6Very high93Very high0 Ų025.1 Ų25.10%017%0.167CC..  trans-62.1143.7-176.400000112.8D16 N341 G347 K348D16-G326 WeakPolarHBondContact O-CA 3.06Å; G326-N341 WeakPolarHBondContact CA-OD1 3.43Å; G326-N341 PolarHBondContact N-OD1 3.42Å; G326-N341 PolarHBondContact O-ND2 3.08Å; G326-G347 VanDerWaalsContact O-CA 3.29Å; G326-G347 WeakPolarHBondContact O-CA 3.25Å; G326-K348 PolarHBondContact O-N 2.79Å
327H95.3Very high92.6Very high13 Ų1326 Ų266%0.0617%0.171CC..  trans-83.1115.8178.8-161.2177.7000110.3E329 P330 G338 G339 K348 G466H327-E329 IonicContact CD2-OE2 3.97Å; H327-E329 PolarHBondContact CD2-OE2 3.28Å; H327-E329 IonicContact NE2-OE2 3.9Å; H327-E329 PolarHBondContact NE2-OE2 2.71Å; H327-P330 HydrophobicContact CB-CG 4.01Å; H327-P330 WeakPolarHBondContact CD2-CD 3.46Å; H327-P330 VanDerWaalsContact CE1-CG 3.45Å; H327-P330 WeakPolarHBondContact CE1-CG 3.45Å; H327-P330 VanDerWaalsContact CG-CD 3.43Å; H327-P330 VanDerWaalsContact CG-CG 3.41Å; H327-P330 WeakPolarHBondContact ND1-CG 3.46Å; H327-G338 CarbonylContact O-C 3.37Å; H327-G338 WeakPolarHBondContact O-CA 3.45Å; H327-G339 PolarHBondContact O-N 2.97Å; H327-K348 HydrophobicContact CB-CB 3.89Å; H327-K348 HydrophobicContact CB-CD 3.8Å; H327-G466 PolarHBondContact NE2-O 2.78Å
328L94.8Very high92.3Very high25 Ų2526.2 Ų26.213%0.13117%0.173CC..  trans-86.6-37-172.6-61.1-178000112.9P330 Q336 G339 G346 A461 Y463L328-P330 VanDerWaalsContact C-CD 3.41Å; L328-Q336 PolarHBondContact O-NE2 2.79Å; L328-Q336 PolarHBondContact O-OE1 3.49Å; L328-G339 WeakPolarHBondContact CD2-O 3.17Å; L328-G346 WeakPolarHBondContact CD1-O 3.49Å; L328-A461 HydrophobicContact CB-CB 3.8Å; L328-A461 HydrophobicContact CD1-CB 3.91Å; L328-Y463 WeakPolarHBondContact O-CE1 3.32Å
329E92.2Very high92Very high12 Ų1226.1 Ų26.16%0.05617%0.172CC..SBendtrans-70.4-23.2-171.8-62.689.9155.400117.4H327 L331 M350 A461 C462 G466H327-E329 IonicContact CD2-OE2 3.97Å; H327-E329 PolarHBondContact CD2-OE2 3.28Å; H327-E329 IonicContact NE2-OE2 3.9Å; H327-E329 PolarHBondContact NE2-OE2 2.71Å; E329-L331 PolarHBondContact O-N 2.57Å; E329-M350 WeakPolarHBondContact OE1-CE 3.27Å; E329-A461 HydrophobicContact CG-CB 4.45Å; E329-C462 WeakPolarHBondContact CG-O 3.29Å; E329-C462 PolarHBondContact OE1-N 3.16Å; E329-G466 VanDerWaalsContact CB-O 3.22Å; E329-G466 WeakPolarHBondContact CB-O 3.49Å
330P88.4Confident91.8Very high23 Ų2330.8 Ų30.815%0.14919%0.19CC..  trans-68113.8179.8-25.236.9000113.1T272 H327 L328 L337T272-P330 HydrophobicContact CG2-CB 4.22Å; H327-P330 HydrophobicContact CB-CG 4.01Å; H327-P330 WeakPolarHBondContact CD2-CD 3.46Å; H327-P330 VanDerWaalsContact CE1-CG 3.45Å; H327-P330 WeakPolarHBondContact CE1-CG 3.45Å; H327-P330 VanDerWaalsContact CG-CD 3.43Å; H327-P330 VanDerWaalsContact CG-CG 3.41Å; H327-P330 WeakPolarHBondContact ND1-CG 3.46Å; L328-P330 VanDerWaalsContact C-CD 3.41Å; P330-L337 HydrophobicContact CB-CB 3.96Å; P330-L337 WeakPolarHBondContact O-CB 3.34Å; P330-L337 PolarHBondContact O-N 2.8Å
331L86.1Confident91.7Very high88 Ų8831 Ų3146%0.46119%0.191SC..EExtended strand (participates in β ladder)trans-125.5142.5177.2-66.1171000111.2E329 V335 Y463E329-L331 PolarHBondContact O-N 2.57Å; L331-V335 WeakPolarHBondContact CA-O 3.44Å; L331-Y463 HydrophobicContact CD1-CD1 3.69Å; L331-Y463 HydrophobicContact CD1-CE1 3.94Å; L331-Y463 HydrophobicContact CG-CD1 4.35Å; L331-Y463 HydrophobicContact CG-CE1 4.32Å
332D81.4Confident91.5Very high70 Ų7032 Ų3237%0.37420%0.201SC..EExtended strand (participates in β ladder)trans-119.287.5169.8-165.31.4000108.3K155 R288 A334 V335 L337K155-D332 IonicContact NZ-OD2 3.91Å; K155-D332 PolarHBondContact NZ-OD2 3.11Å; R288-D332 IonicContact CZ-OD2 3.43Å; R288-D332 IonicContact NH1-OD2 2.94Å; R288-D332 PolarHBondContact NH1-OD2 3.27Å; R288-D332 IonicContact NH2-OD2 3.91Å; R288-D332 PolarHBondContact NH2-OD2 2.94Å; D332-A334 PolarHBondContact O-N 2.69Å; D332-V335 PolarHBondContact N-O 2.68Å; D332-V335 WeakPolarHBondContact O-CB 3.46Å; D332-V335 PolarHBondContact O-N 2.78Å; D332-V335 VanDerWaalsContact O-N 3.08Å; D332-L337 HydrophobicContact CB-CD1 3.75Å; D332-L337 HydrophobicContact CB-CD2 4.01Å; D332-L337 HydrophobicContact CB-CG 3.92Å
333G81.8Confident91.4Very high70 Ų7037.2 Ų37.272%0.72223%0.228SC*.THydrogen-bonded Turntrans64.6-118.9-165.400000110.7
334A79.9Confident91.3Very high106 Ų10639.3 Ų39.388%0.87624%0.236SC*.THydrogen-bonded Turntrans-91.1-0175.600000113.6D332D332-A334 PolarHBondContact O-N 2.69Å
335V83.9Confident91.3Very high72 Ų7242.4 Ų42.444%0.43625%0.25SC..EExtended strand (participates in β ladder)trans-91.2123.8-175.7-176.40000110.4L331 D332 L337L331-V335 WeakPolarHBondContact CA-O 3.44Å; D332-V335 PolarHBondContact N-O 2.68Å; D332-V335 WeakPolarHBondContact O-CB 3.46Å; D332-V335 PolarHBondContact O-N 2.78Å; D332-V335 VanDerWaalsContact O-N 3.08Å; V335-L337 HydrophobicContact CG1-CD2 4.08Å
336Q87.8Confident91.3Very high45 Ų4542.5 Ų42.521%0.2125%0.251CS..EExtended strand (participates in β ladder)trans-69.9128.3172.4-177.462.68.800110.8L328 G338L328-Q336 PolarHBondContact O-NE2 2.79Å; L328-Q336 PolarHBondContact O-OE1 3.49Å; Q336-G338 WeakPolarHBondContact CG-O 3.34Å; Q336-G338 PolarHBondContact NE2-O 2.55Å
337L90.1Very high91.3Very high20 Ų2042.5 Ų42.511%0.10525%0.251CS..  trans-112.5-3.1-178.7-61.2-165.8000115.1T272 L274 P330 D332 V335T272-L337 HydrophobicContact CG2-CB 4.24Å; L274-L337 HydrophobicContact CD1-CB 4.23Å; L274-L337 HydrophobicContact CD1-CD2 4.27Å; L274-L337 VanDerWaalsContact CD1-O 3.3Å; L274-L337 WeakPolarHBondContact CD1-O 3.12Å; P330-L337 HydrophobicContact CB-CB 3.96Å; P330-L337 WeakPolarHBondContact O-CB 3.34Å; P330-L337 PolarHBondContact O-N 2.8Å; D332-L337 HydrophobicContact CB-CD1 3.75Å; D332-L337 HydrophobicContact CB-CD2 4.01Å; D332-L337 HydrophobicContact CB-CG 3.92Å; V335-L337 HydrophobicContact CG1-CD2 4.08Å
338G91.4Very high91.4Very high3 Ų342.2 Ų42.23%0.03125%0.249CC..SBendtrans-124.1179.4174.700000112.5H327 Q336H327-G338 CarbonylContact O-C 3.37Å; H327-G338 WeakPolarHBondContact O-CA 3.45Å; Q336-G338 WeakPolarHBondContact CG-O 3.34Å; Q336-G338 PolarHBondContact NE2-O 2.55Å
339G92.9Very high91.4Very high0 Ų041 Ų410%024%0.243CC..  trans-76.8173-166.800000115.8D21 Y289 H327 L328D21-G339 WeakPolarHBondContact OD2-CA 3.32Å; Y289-G339 VanDerWaalsContact CE2-N 3.27Å; Y289-G339 WeakPolarHBondContact OH-CA 3.26Å; H327-G339 PolarHBondContact O-N 2.97Å; L328-G339 WeakPolarHBondContact CD2-O 3.17Å
340W94.4Very high91.6Very high100 Ų10040.5 Ų40.538%0.37924%0.241SC..  trans-111.7128.7177.6-179.954000111.4G18 G20 D21 N27 G342G18-W340 CarbonylContact C-O 3.49Å; G20-W340 CarbonylContact C-O 3.53Å; G20-W340 WeakPolarHBondContact CA-O 3.34Å; G20-W340 PolarHBondContact N-O 2.81Å; G20-W340 WeakPolarHBondContact O-CZ3 3.45Å; D21-W340 VanDerWaalsContact CG-N 3.31Å; D21-W340 PolarHBondContact N-O 2.87Å; D21-W340 WeakPolarHBondContact OD1-CB 3.13Å; D21-W340 PolarHBondContact OD1-N 3.27Å; D21-W340 PolarHBondContact OD2-N 2.71Å; N27-W340 HydrophobicContact CB-CZ3 4.41Å; W340-G342 VanDerWaalsContact CZ2-CA 3.43Å; W340-G342 PolarHBondContact NE1-O 2.79Å
341N96.6Very high91.8Very high4 Ų439.4 Ų39.42%0.02123%0.234CC..  trans-96.921.1-178.6-60.8-44.8000112.8G18 G326 I343 Y344 G346 G347 G355G18-N341 WeakPolarHBondContact CA-OD1 3.08Å; G326-N341 WeakPolarHBondContact CA-OD1 3.43Å; G326-N341 PolarHBondContact N-OD1 3.42Å; G326-N341 PolarHBondContact O-ND2 3.08Å; N341-I343 PolarHBondContact O-N 2.89Å; N341-Y344 VanDerWaalsContact O-CB 3.31Å; N341-Y344 WeakPolarHBondContact O-CB 3.18Å; N341-Y344 WeakPolarHBondContact O-CD2 3.09Å; N341-Y344 PolarHBondContact O-N 3.23Å; N341-Y344 VanDerWaalsContact O-N 3.11Å; N341-G346 PolarHBondContact ND2-O 3.23Å; N341-G347 WeakPolarHBondContact ND2-CA 3.11Å; N341-G355 PolarHBondContact ND2-O 2.89Å; N341-G355 VanDerWaalsContact ND2-O 3.14Å; N341-G355 PolarHBondContact OD1-O 2.8Å
342G95.2Very high92.2Very high21 Ų2135.2 Ų35.222%0.21621%0.212CC..THydrogen-bonded Turntrans66.5-135.2176.800000112.5W340 Y344W340-G342 VanDerWaalsContact CZ2-CA 3.43Å; W340-G342 PolarHBondContact NE1-O 2.79Å; G342-Y344 PolarHBondContact O-N 3.33Å
343I95.8Very high93Very high109 Ų10932.4 Ų32.456%0.55920%0.196SC*.THydrogen-bonded Turntrans-77.5-8.3174.463.4170.4000113.4N341 P489 S490N341-I343 PolarHBondContact O-N 2.89Å; I343-P489 HydrophobicContact CD1-CB 3.97Å; I343-P489 HydrophobicContact CD1-CG 3.64Å; I343-S490 WeakPolarHBondContact O-CA 3.36Å; I343-S490 WeakPolarHBondContact O-CB 3.4Å
344Y97.6Very high93.8Very high44 Ų4429.1 Ų29.117%0.17316%0.162CC..  trans-81.8126.6-170.9-55.4-67000110.5V19 N341 G342 E354 R358 P489V19-Y344 HydrophobicContact CG1-CD2 3.29Å; V19-Y344 HydrophobicContact CG1-CE2 3.51Å; V19-Y344 HydrophobicContact CG1-CG 4.44Å; V19-Y344 HydrophobicContact CG2-CE2 4.41Å; N341-Y344 VanDerWaalsContact O-CB 3.31Å; N341-Y344 WeakPolarHBondContact O-CB 3.18Å; N341-Y344 WeakPolarHBondContact O-CD2 3.09Å; N341-Y344 PolarHBondContact O-N 3.23Å; N341-Y344 VanDerWaalsContact O-N 3.11Å; G342-Y344 PolarHBondContact O-N 3.33Å; Y344-E354 HydrophobicContact CD1-CB 3.78Å; Y344-E354 HydrophobicContact CD1-CG 4.15Å; Y344-E354 HydrophobicContact CG-CB 4.08Å; Y344-R358 VanDerWaalsContact CE1-CD 3.46Å; Y344-P489 HydrophobicContact CD1-CB 4.48Å; Y344-P489 WeakPolarHBondContact CD1-O 3.19Å; Y344-P489 HydrophobicContact CE1-CB 3.93Å
345K97.3Very high94.7Very high65 Ų6524 Ų2428%0.28312%0.12SC..  trans-65142.7177.4176178-89.2165.50111W353 G355 F454 S490 E491K345-W353 HydrophobicContact CB-CE3 4.28Å; K345-W353 HydrophobicContact CD-CD2 3.69Å; K345-W353 HydrophobicContact CD-CE3 3.41Å; K345-W353 VanDerWaalsContact CD-CE3 3.41Å; K345-W353 HydrophobicContact CD-CH2 3.67Å; K345-W353 HydrophobicContact CD-CZ2 3.87Å; K345-W353 HydrophobicContact CD-CZ3 3.43Å; K345-W353 VanDerWaalsContact CD-CZ3 3.43Å; K345-W353 HydrophobicContact CG-CD2 3.94Å; K345-W353 HydrophobicContact CG-CE3 3.91Å; K345-W353 HydrophobicContact CG-CG 4.29Å; K345-W353 HydrophobicContact CG-CZ3 4.41Å; K345-W353 VanDerWaalsContact O-CB 3.27Å; K345-W353 WeakPolarHBondContact O-CB 3.41Å; K345-G355 WeakPolarHBondContact O-CA 3.34Å; K345-G355 PolarHBondContact O-N 3.13Å; K345-F454 HydrophobicContact CD-CE2 4.12Å; K345-F454 HydrophobicContact CD-CZ 4.46Å; K345-F454 HydrophobicContact CG-CE2 4.27Å; K345-F454 HydrophobicContact CG-CZ 4.27Å; K345-S490 WeakPolarHBondContact CB-O 3.34Å; K345-E491 PolarHBondContact NZ-O 3.43Å
346G96.9Very high95.3Very high3 Ų320.6 Ų20.63%0.03110%0.1CC..  trans82.9-176.2174.400000115.2L328 N341 M350 G355 G460L328-G346 WeakPolarHBondContact CD1-O 3.49Å; N341-G346 PolarHBondContact ND2-O 3.23Å; G346-M350 WeakPolarHBondContact CA-SD 3.4Å; G346-G355 CarbonylContact O-C 3.51Å; G346-G355 WeakPolarHBondContact O-CA 3.42Å; G346-G460 WeakPolarHBondContact CA-O 3.39Å
347G97.1Very high95.8Very high0 Ų018.6 Ų18.60%09%0.09CC..  trans-163.5-163.4-175.600000113.4G326 N341 G349 M350 G355 G356G326-G347 VanDerWaalsContact O-CA 3.29Å; G326-G347 WeakPolarHBondContact O-CA 3.25Å; N341-G347 WeakPolarHBondContact ND2-CA 3.11Å; G347-G349 PolarHBondContact O-N 3.3Å; G347-M350 PolarHBondContact N-SD 3.44Å; G347-M350 VanDerWaalsContact N-SD 3.35Å; G347-M350 VanDerWaalsContact O-CB 3.26Å; G347-M350 WeakPolarHBondContact O-CB 3.44Å; G347-M350 WeakPolarHBondContact O-CG 3.48Å; G347-M350 PolarHBondContact O-N 3.25Å; G347-G355 WeakPolarHBondContact CA-O 3.21Å; G347-G356 VanDerWaalsContact C-CA 3.43Å; G347-G356 WeakPolarHBondContact O-CA 3.1Å
348K96.9Very high96.2Very high6 Ų618.1 Ų18.13%0.0269%0.087CC..THydrogen-bonded Turntrans-42.1133.9177.1-175.1-177.2-170.7171.60112D16 M54 H271 G326 H327 M350D16-K348 WeakPolarHBondContact OD1-CD 3.47Å; D16-K348 WeakPolarHBondContact OD1-CE 3.43Å; D16-K348 IonicContact OD1-NZ 2.54Å; D16-K348 PolarHBondContact OD1-NZ 3.15Å; D16-K348 IonicContact OD2-NZ 3.71Å; D16-K348 PolarHBondContact OD2-NZ 3.25Å; M54-K348 HydrophobicContact SD-CG 4.17Å; H271-K348 PolarHBondContact NE2-NZ 3.49Å; H271-K348 VanDerWaalsContact NE2-NZ 3.12Å; G326-K348 PolarHBondContact O-N 2.79Å; H327-K348 HydrophobicContact CB-CB 3.89Å; H327-K348 HydrophobicContact CB-CD 3.8Å; K348-M350 VanDerWaalsContact C-N 3.26Å; K348-M350 PolarHBondContact O-N 2.79Å
349G95.1Very high96.5Very high0 Ų018 Ų180%09%0.086CC..THydrogen-bonded Turntrans77.12.1-179.800000115.6S53 M54 R81 G347 C427S53-G349 WeakPolarHBondContact O-CA 3.32Å; S53-G349 PolarHBondContact O-N 3.14Å; S53-G349 WeakPolarHBondContact OG-CA 3.25Å; M54-G349 VanDerWaalsContact SD-CA 3.58Å; R81-G349 PolarHBondContact NH1-O 3.09Å; G347-G349 PolarHBondContact O-N 3.3Å; G349-C427 PolarHBondContact O-SG 3.36Å
350M96.1Very high96.8Very high1 Ų118 Ų181%0.0059%0.086CC..  trans-105.584.3175.2-52.5176.4-149.200109.5S53 E329 G346 G347 K348 G352 W353 F454 A461 C468S53-M350 PolarHBondContact OG-N 2.77Å; E329-M350 WeakPolarHBondContact OE1-CE 3.27Å; G346-M350 WeakPolarHBondContact CA-SD 3.4Å; G347-M350 PolarHBondContact N-SD 3.44Å; G347-M350 VanDerWaalsContact N-SD 3.35Å; G347-M350 VanDerWaalsContact O-CB 3.26Å; G347-M350 WeakPolarHBondContact O-CB 3.44Å; G347-M350 WeakPolarHBondContact O-CG 3.48Å; G347-M350 PolarHBondContact O-N 3.25Å; K348-M350 VanDerWaalsContact C-N 3.26Å; K348-M350 PolarHBondContact O-N 2.79Å; M350-G352 PolarHBondContact O-N 2.73Å; M350-W353 PolarHBondContact O-N 3.26Å; M350-F454 HydrophobicContact SD-CE1 3.72Å; M350-F454 HydrophobicContact SD-CZ 4.39Å; M350-A461 HydrophobicContact CE-CB 4.07Å; M350-C468 VanDerWaalsContact CE-SG 3.56Å; M350-C468 HydrophobicContact CG-CB 4.04Å
351G93.6Very high97Very high0 Ų013.2 Ų13.20%07%0.068CC..THydrogen-bonded Turntrans-63.1-25.1-173.900000114.3S53 I357 H425S53-G351 VanDerWaalsContact OG-CA 3.3Å; S53-G351 WeakPolarHBondContact OG-CA 3.29Å; S53-G351 PolarHBondContact OG-N 2.91Å; G351-I357 VanDerWaalsContact O-CG2 3.24Å; G351-I357 WeakPolarHBondContact O-CG2 3.45Å; G351-H425 WeakPolarHBondContact O-CB 3.05Å
352G95.1Very high97.1Very high1 Ų113.1 Ų13.11%0.017%0.067CC..THydrogen-bonded Turntrans-80.7-30.9-179.300000115M350 T433 K446 H448M350-G352 PolarHBondContact O-N 2.73Å; G352-T433 WeakPolarHBondContact CA-OG1 2.96Å; G352-T433 PolarHBondContact O-OG1 2.71Å; G352-K446 WeakPolarHBondContact O-CE 3.13Å; G352-K446 PolarHBondContact O-NZ 3.07Å; G352-H448 PolarHBondContact O-CE1 2.99Å
353W97.9Very high97.3Very high11 Ų1112.1 Ų12.14%0.0426%0.057CC..SBendtrans-93.8145.6-170.6-66.9119.4000113K345 M350 G355 G356 I357 H448 T451 F454 F483 E491K345-W353 HydrophobicContact CB-CE3 4.28Å; K345-W353 HydrophobicContact CD-CD2 3.69Å; K345-W353 HydrophobicContact CD-CE3 3.41Å; K345-W353 VanDerWaalsContact CD-CE3 3.41Å; K345-W353 HydrophobicContact CD-CH2 3.67Å; K345-W353 HydrophobicContact CD-CZ2 3.87Å; K345-W353 HydrophobicContact CD-CZ3 3.43Å; K345-W353 VanDerWaalsContact CD-CZ3 3.43Å; K345-W353 HydrophobicContact CG-CD2 3.94Å; K345-W353 HydrophobicContact CG-CE3 3.91Å; K345-W353 HydrophobicContact CG-CG 4.29Å; K345-W353 HydrophobicContact CG-CZ3 4.41Å; K345-W353 VanDerWaalsContact O-CB 3.27Å; K345-W353 WeakPolarHBondContact O-CB 3.41Å; M350-W353 PolarHBondContact O-N 3.26Å; W353-G355 VanDerWaalsContact C-N 3.29Å; W353-G355 PolarHBondContact O-N 3.34Å; W353-G356 PolarHBondContact O-N 2.85Å; W353-I357 PolarHBondContact O-N 3.46Å; W353-H448 AromaticContact CD2-CE1 3.83Å; W353-H448 AromaticContact CE3-CE1 3.48Å; W353-H448 VanDerWaalsContact CE3-CE1 3.48Å; W353-H448 AromaticContact CE3-NE2 3.91Å; W353-H448 AromaticContact CZ3-CE1 3.66Å; W353-H448 AromaticContact CZ3-NE2 3.77Å; W353-T451 HydrophobicContact CH2-CG2 4.17Å; W353-T451 HydrophobicContact CZ2-CG2 3.57Å; W353-F454 AromaticContact CD1-CZ 3.61Å; W353-F454 AromaticContact CE2-CZ 3.91Å; W353-F454 HydrophobicContact CG-CZ 4.41Å; W353-F454 HydrophobicContact CZ2-CE2 4.45Å; W353-F454 AromaticContact NE1-CE1 3.97Å; W353-F454 AromaticContact NE1-CE2 3.97Å; W353-F454 AromaticContact NE1-CZ 3.25Å; W353-F483 HydrophobicContact CH2-CE2 4.45Å; W353-F483 HydrophobicContact CH2-CZ 4.29Å; W353-F483 HydrophobicContact CZ3-CE2 4.27Å; W353-F483 HydrophobicContact CZ3-CZ 4.24Å; W353-E491 HydrophobicContact CE3-CB 4.02Å; W353-E491 HydrophobicContact CE3-CG 4.43Å; W353-E491 HydrophobicContact CZ3-CB 3.66Å; W353-E491 HydrophobicContact CZ3-CG 4.42Å
354E98.3Very high97.4Very high0 Ų07.5 Ų7.50%03%0.032CC..Hα-helixtrans-52.3-44.4-176.5-78.9-48.696.600112.5Y344 G356 I357 R358 R435 K446 I485 E491Y344-E354 HydrophobicContact CD1-CB 3.78Å; Y344-E354 HydrophobicContact CD1-CG 4.15Å; Y344-E354 HydrophobicContact CG-CB 4.08Å; E354-G356 PolarHBondContact O-N 3.44Å; E354-G356 VanDerWaalsContact O-N 3.15Å; E354-I357 PolarHBondContact O-N 3.13Å; E354-I357 VanDerWaalsContact O-N 3.16Å; E354-R358 WeakPolarHBondContact O-CA 3.34Å; E354-R358 WeakPolarHBondContact O-CB 3.44Å; E354-R358 PolarHBondContact O-N 3.36Å; E354-R358 IonicContact OE2-CZ 2.76Å; E354-R358 IonicContact OE2-NE 3.44Å; E354-R358 PolarHBondContact OE2-NE 3.26Å; E354-R358 IonicContact OE2-NH2 2.74Å; E354-R358 PolarHBondContact OE2-NH2 3.4Å; E354-R435 IonicContact OE1-CZ 3.44Å; E354-R435 IonicContact OE1-NH2 3.95Å; E354-R435 PolarHBondContact OE1-NH2 3.37Å; E354-R435 IonicContact OE2-CZ 2.87Å; E354-R435 IonicContact OE2-NH2 2.73Å; E354-R435 PolarHBondContact OE2-NH2 3.3Å; E354-K446 WeakPolarHBondContact OE1-CE 3.25Å; E354-K446 IonicContact OE1-NZ 3.92Å; E354-K446 PolarHBondContact OE1-NZ 3.04Å; E354-I485 HydrophobicContact CG-CG2 4.48Å; E354-E491 WeakPolarHBondContact CB-OE2 3.39Å; E354-E491 HydrophobicContact CG-CG 4.19Å; E354-E491 WeakPolarHBondContact CG-OE2 3.44Å; E354-E491 PolarHBondContact N-OE2 3.11Å
355G97.9Very high97.5Very high0 Ų05.4 Ų5.40%02%0.024CC..Hα-helixtrans-67.4-15.1-177.700000114G325 N341 K345 G346 G347 W353G325-G355 WeakPolarHBondContact CA-O 3.18Å; N341-G355 PolarHBondContact ND2-O 2.89Å; N341-G355 VanDerWaalsContact ND2-O 3.14Å; N341-G355 PolarHBondContact OD1-O 2.8Å; K345-G355 WeakPolarHBondContact O-CA 3.34Å; K345-G355 PolarHBondContact O-N 3.13Å; G346-G355 CarbonylContact O-C 3.51Å; G346-G355 WeakPolarHBondContact O-CA 3.42Å; G347-G355 WeakPolarHBondContact CA-O 3.21Å; W353-G355 VanDerWaalsContact C-N 3.29Å; W353-G355 PolarHBondContact O-N 3.34Å
356G97.4Very high97.4Very high0 Ų04.7 Ų4.70%03%0.026CC..Hα-helixtrans-89.1-24.6173.700000114.6S53 G325 G347 W353 E354S53-G356 WeakPolarHBondContact CA-O 3.48Å; S53-G356 VanDerWaalsContact CB-O 3.25Å; S53-G356 WeakPolarHBondContact CB-O 3.31Å; G325-G356 PolarHBondContact N-O 2.83Å; G347-G356 VanDerWaalsContact C-CA 3.43Å; G347-G356 WeakPolarHBondContact O-CA 3.1Å; W353-G356 PolarHBondContact O-N 2.85Å; E354-G356 PolarHBondContact O-N 3.44Å; E354-G356 VanDerWaalsContact O-N 3.15Å
357I98.1Very high97.4Very high2 Ų28.1 Ų8.11%0.015%0.049CC..Hα-helixtrans-115.8-28.3-174.360.2172.2000113.5L49 A50 G351 W353 E354 H425L49-I357 CarbonylContact C-O 3.55Å; L49-I357 VanDerWaalsContact CA-O 3.3Å; L49-I357 WeakPolarHBondContact CA-O 3.32Å; L49-I357 HydrophobicContact CD2-CD1 4.29Å; L49-I357 HydrophobicContact CD2-CG1 4.31Å; A50-I357 PolarHBondContact N-O 3.13Å; G351-I357 VanDerWaalsContact O-CG2 3.24Å; G351-I357 WeakPolarHBondContact O-CG2 3.45Å; W353-I357 PolarHBondContact O-N 3.46Å; E354-I357 PolarHBondContact O-N 3.13Å; E354-I357 VanDerWaalsContact O-N 3.16Å; I357-H425 VanDerWaalsContact CD1-CE1 3.44Å; I357-H425 WeakPolarHBondContact CD1-CE1 3.31Å; I357-H425 WeakPolarHBondContact CD1-ND1 3.46Å
358R98.4Very high97.3Very high11 Ų119.6 Ų9.64%0.0426%0.058CC..EExtended strand (participates in β ladder)trans-77.9126.6-180-168.7175.9-73.2-127.910.1108.8V19 T46 H48 L49 Y344 E354V19-R358 HydrophobicContact CG1-CG 4.41Å; V19-R358 HydrophobicContact CG2-CG 4.46Å; T46-R358 PolarHBondContact O-NH1 3.4Å; H48-R358 WeakPolarHBondContact O-CA 3.44Å; L49-R358 HydrophobicContact CD2-CB 4.3Å; Y344-R358 VanDerWaalsContact CE1-CD 3.46Å; E354-R358 WeakPolarHBondContact O-CA 3.34Å; E354-R358 WeakPolarHBondContact O-CB 3.44Å; E354-R358 PolarHBondContact O-N 3.36Å; E354-R358 IonicContact OE2-CZ 2.76Å; E354-R358 IonicContact OE2-NE 3.44Å; E354-R358 PolarHBondContact OE2-NE 3.26Å; E354-R358 IonicContact OE2-NH2 2.74Å; E354-R358 PolarHBondContact OE2-NH2 3.4Å
359V98.7Very high97.4Very high0 Ų09.7 Ų9.70%06%0.059CC..EExtended strand (participates in β ladder)trans-131.7158.7-174.7-670000110H48 A50 N324 L381H48-V359 PolarHBondContact O-N 3.43Å; A50-V359 HydrophobicContact CB-CG1 4.22Å; N324-V359 VanDerWaalsContact C-CG1 3.44Å; V359-L381 HydrophobicContact CG2-CD2 4.12Å; V359-L381 HydrophobicContact CG2-CG 4.34Å
360P98.6Very high97.4Very high0 Ų016 Ų160%09%0.089CC..EExtended strand (participates in β ladder)trans-55.9143.8166.8-24.935.8000111.2L17 V19 L22 Y25 F320 T321L17-P360 HydrophobicContact CD2-CG 4.2Å; V19-P360 HydrophobicContact CB-CG 4.5Å; L22-P360 HydrophobicContact CD1-CB 3.67Å; L22-P360 HydrophobicContact CD1-CG 3.67Å; L22-P360 HydrophobicContact CG-CG 4.4Å; Y25-P360 HydrophobicContact CE2-CB 3.93Å; F320-P360 HydrophobicContact CD1-CB 4.4Å; F320-P360 HydrophobicContact CE1-CB 4.23Å; T321-P360 VanDerWaalsContact CA-O 3.29Å; T321-P360 WeakPolarHBondContact CA-O 3.39Å; T321-P360 WeakPolarHBondContact CB-O 3.14Å; T321-P360 PolarHBondContact OG1-O 2.9Å
361G98.7Very high97.5Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-145.4104.6174.100000109.4Y25 L45Y25-G361 PolarHBondContact OH-N 3.37Å; Y25-G361 PolarHBondContact OH-O 3.36Å; L45-G361 WeakPolarHBondContact CB-O 2.96Å; L45-G361 PolarHBondContact N-O 2.76Å
362I98.9Very high97.7Very high1 Ų121.2 Ų21.21%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-126.9128.9-175.8-56.6164000108.8L22 Y25 I35 L38 A39 V43 Y319 F320L22-I362 HydrophobicContact CD1-CD1 4.42Å; Y25-I362 HydrophobicContact CE2-CD1 4.12Å; Y25-I362 HydrophobicContact CE2-CG1 4.16Å; I35-I362 HydrophobicContact CG2-CD1 3.58Å; L38-I362 HydrophobicContact CB-CG2 3.79Å; A39-I362 HydrophobicContact CB-CD1 4.2Å; A39-I362 HydrophobicContact CB-CG1 4.44Å; A39-I362 HydrophobicContact CB-CG2 4.19Å; V43-I362 WeakPolarHBondContact O-CA 3.48Å; Y319-I362 CarbonylContact C-O 3.57Å; Y319-I362 VanDerWaalsContact CA-O 3.3Å; Y319-I362 WeakPolarHBondContact CA-O 3.3Å; Y319-I362 WeakPolarHBondContact CD2-O 3.43Å; F320-I362 HydrophobicContact CB-CB 4.31Å; F320-I362 HydrophobicContact CD1-CD1 4.17Å; F320-I362 PolarHBondContact N-O 2.83Å; F320-I362 PolarHBondContact O-N 2.85Å
363F98.8Very high97.8Very high1 Ų123.9 Ų23.90%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-118.1132.2175.9-71.8-94.6000109.9G42 V43 L45 L317 V318 Y319 L369 I384 L407 L411G42-F363 CarbonylContact C-O 3.59Å; G42-F363 WeakPolarHBondContact CA-O 3.38Å; V43-F363 HydrophobicContact CB-CB 4.47Å; V43-F363 PolarHBondContact N-O 2.88Å; V43-F363 PolarHBondContact O-N 2.74Å; L45-F363 HydrophobicContact CD1-CD2 4.02Å; L45-F363 HydrophobicContact CD1-CE2 3.56Å; L45-F363 HydrophobicContact CG-CD2 4.45Å; L45-F363 HydrophobicContact CG-CE2 4.46Å; L317-F363 HydrophobicContact CD1-CD1 4.03Å; V318-F363 CarbonylContact O-C 3.59Å; V318-F363 WeakPolarHBondContact O-CA 3.38Å; Y319-F363 AromaticContact CD2-CD1 3.77Å; Y319-F363 HydrophobicContact CD2-CD1 3.77Å; Y319-F363 AromaticContact CD2-CD2 3.81Å; Y319-F363 HydrophobicContact CD2-CD2 3.81Å; Y319-F363 AromaticContact CD2-CE1 3.39Å; Y319-F363 HydrophobicContact CD2-CE1 3.39Å; Y319-F363 AromaticContact CD2-CE2 3.39Å; Y319-F363 HydrophobicContact CD2-CE2 3.39Å; Y319-F363 AromaticContact CD2-CG 3.99Å; Y319-F363 HydrophobicContact CD2-CG 3.99Å; Y319-F363 AromaticContact CD2-CZ 3.18Å; Y319-F363 HydrophobicContact CD2-CZ 3.18Å; Y319-F363 HydrophobicContact CE2-CD2 4.19Å; Y319-F363 HydrophobicContact CE2-CE1 4.06Å; Y319-F363 AromaticContact CE2-CE2 3.42Å; Y319-F363 HydrophobicContact CE2-CE2 3.42Å; Y319-F363 VanDerWaalsContact CE2-CE2 3.42Å; Y319-F363 AromaticContact CE2-CZ 3.37Å; Y319-F363 HydrophobicContact CE2-CZ 3.37Å; Y319-F363 HydrophobicContact CG-CD1 4.24Å; Y319-F363 AromaticContact CG-CE1 3.82Å; Y319-F363 HydrophobicContact CG-CE1 3.82Å; Y319-F363 AromaticContact CG-CZ 4Å; Y319-F363 HydrophobicContact CG-CZ 4Å; F363-L369 HydrophobicContact CB-CD1 3.89Å; F363-I384 HydrophobicContact CE1-CD1 4Å; F363-I384 HydrophobicContact CZ-CD1 4.28Å; F363-L407 HydrophobicContact CE2-CD1 4.04Å; F363-L407 HydrophobicContact CZ-CD1 3.77Å; F363-L411 HydrophobicContact CB-CD2 4.33Å; F363-L411 HydrophobicContact CD1-CD1 3.92Å; F363-L411 HydrophobicContact CD2-CD1 4.28Å; F363-L411 HydrophobicContact CD2-CD2 3.83Å; F363-L411 HydrophobicContact CE1-CD1 4.11Å; F363-L411 HydrophobicContact CE2-CD1 4.49Å; F363-L411 HydrophobicContact CE2-CD2 4.35Å; F363-L411 HydrophobicContact CG-CD1 3.98Å; F363-L411 HydrophobicContact CG-CD2 4.08Å; F363-L411 HydrophobicContact CZ-CD1 4.39Å
364R98.6Very high97.8Very high11 Ų1126.2 Ų26.24%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-127.2126.5172.3177.5-172177.3-1285.9109.1L38 E41 D308 V318 P366L38-R364 HydrophobicContact CD2-CB 3.9Å; L38-R364 VanDerWaalsContact CD2-CD 3.43Å; L38-R364 HydrophobicContact CD2-CG 4.31Å; E41-R364 HydrophobicContact CB-CG 4.34Å; E41-R364 IonicContact OE2-CZ 2.69Å; E41-R364 IonicContact OE2-NE 2.68Å; E41-R364 PolarHBondContact OE2-NE 3.2Å; E41-R364 IonicContact OE2-NH2 3.06Å; E41-R364 PolarHBondContact OE2-NH2 3.45Å; D308-R364 IonicContact OD1-NH1 3.43Å; D308-R364 IonicContact OD1-NH2 3.04Å; V318-R364 HydrophobicContact CB-CB 4.38Å; V318-R364 PolarHBondContact N-O 2.96Å; V318-R364 PolarHBondContact O-N 3.24Å; R364-P366 HydrophobicContact CG-CG 4.33Å
365W98Very high97.8Very high0 Ų026.7 Ų26.70%016%0.164CC..  trans-153.491.2170-171.1-4.6000108.7M1 A5 P7 N314 L317 S367 V368 L369 I391 M408M1-W365 HydrophobicContact CE-CH2 4.02Å; M1-W365 HydrophobicContact CE-CZ2 3.54Å; M1-W365 HydrophobicContact SD-CH2 3.25Å; M1-W365 WeakPolarHBondContact SD-CH2 3.33Å; M1-W365 HydrophobicContact SD-CZ2 3.44Å; M1-W365 WeakPolarHBondContact SD-CZ2 3.25Å; M1-W365 HydrophobicContact SD-CZ3 4.11Å; A5-W365 HydrophobicContact CB-CH2 4.49Å; P7-W365 HydrophobicContact CB-CH2 3.64Å; P7-W365 HydrophobicContact CB-CZ2 3.39Å; P7-W365 HydrophobicContact CG-CH2 3.4Å; P7-W365 HydrophobicContact CG-CZ2 3.75Å; P7-W365 HydrophobicContact CG-CZ3 4.09Å; N314-W365 PolarHBondContact O-NE1 3.49Å; N314-W365 VanDerWaalsContact O-NE1 3.13Å; L317-W365 HydrophobicContact CB-CD2 4.22Å; L317-W365 HydrophobicContact CB-CE3 3.93Å; L317-W365 HydrophobicContact CB-CZ3 4.39Å; L317-W365 HydrophobicContact CD1-CB 3.97Å; L317-W365 HydrophobicContact CD1-CD2 4.47Å; L317-W365 HydrophobicContact CD1-CE3 3.92Å; L317-W365 HydrophobicContact CG-CE3 4.38Å; W365-S367 VanDerWaalsContact C-N 3.27Å; W365-S367 PolarHBondContact NE1-OG 3.27Å; W365-S367 PolarHBondContact O-N 3.28Å; W365-S367 VanDerWaalsContact O-N 3.09Å; W365-V368 HydrophobicContact CB-CB 4.45Å; W365-V368 HydrophobicContact CD2-CB 3.83Å; W365-V368 HydrophobicContact CD2-CG2 3.64Å; W365-V368 VanDerWaalsContact CE2-CG2 3.43Å; W365-V368 HydrophobicContact CE3-CB 4.12Å; W365-V368 HydrophobicContact CE3-CG1 4.31Å; W365-V368 HydrophobicContact CE3-CG2 4.12Å; W365-V368 HydrophobicContact CG-CB 3.96Å; W365-V368 HydrophobicContact CG-CG2 4.03Å; W365-V368 HydrophobicContact CH2-CG2 4.26Å; W365-V368 HydrophobicContact CZ2-CG2 3.76Å; W365-V368 HydrophobicContact CZ3-CG2 4.43Å; W365-V368 PolarHBondContact O-N 2.97Å; W365-L369 HydrophobicContact CB-CD1 3.96Å; W365-L369 HydrophobicContact CB-CG 3.98Å; W365-L369 PolarHBondContact O-N 3.5Å; W365-I391 HydrophobicContact CZ3-CD1 4.44Å; W365-I391 HydrophobicContact CZ3-CG2 4.19Å; W365-M408 HydrophobicContact CE3-CE 4.35Å; W365-M408 HydrophobicContact CZ3-CE 4.11Å
366P97Very high97.7Very high50 Ų5031.7 Ų31.733%0.32519%0.191SC..THydrogen-bonded Turntrans-59.3-29.8-162.9-28.336.1000115.7A313 R364A313-P366 WeakPolarHBondContact O-CD 3.18Å; R364-P366 HydrophobicContact CG-CG 4.33Å
367S95.8Very high97.7Very high75 Ų7532.8 Ų32.852%0.52420%0.196SC..THydrogen-bonded Turntrans-84.3-8-179.865.30000114.5N314 W365N314-S367 WeakPolarHBondContact O-CB 3.27Å; N314-S367 PolarHBondContact O-OG 3.25Å; W365-S367 VanDerWaalsContact C-N 3.27Å; W365-S367 PolarHBondContact NE1-OG 3.27Å; W365-S367 PolarHBondContact O-N 3.28Å; W365-S367 VanDerWaalsContact O-N 3.09Å
368V96.1Very high97.7Very high31 Ų3132.7 Ų32.719%0.18820%0.195CC..THydrogen-bonded Turntrans-127-41.8-171-179.50000112.7M1 W365 M408 E412M1-V368 HydrophobicContact CB-CG1 4.44Å; M1-V368 HydrophobicContact CE-CG2 3.6Å; M1-V368 HydrophobicContact CG-CB 4.49Å; M1-V368 HydrophobicContact CG-CG1 3.94Å; M1-V368 HydrophobicContact CG-CG2 3.66Å; M1-V368 HydrophobicContact SD-CG2 3.69Å; W365-V368 HydrophobicContact CB-CB 4.45Å; W365-V368 HydrophobicContact CD2-CB 3.83Å; W365-V368 HydrophobicContact CD2-CG2 3.64Å; W365-V368 VanDerWaalsContact CE2-CG2 3.43Å; W365-V368 HydrophobicContact CE3-CB 4.12Å; W365-V368 HydrophobicContact CE3-CG1 4.31Å; W365-V368 HydrophobicContact CE3-CG2 4.12Å; W365-V368 HydrophobicContact CG-CB 3.96Å; W365-V368 HydrophobicContact CG-CG2 4.03Å; W365-V368 HydrophobicContact CH2-CG2 4.26Å; W365-V368 HydrophobicContact CZ2-CG2 3.76Å; W365-V368 HydrophobicContact CZ3-CG2 4.43Å; W365-V368 PolarHBondContact O-N 2.97Å; V368-M408 HydrophobicContact CG1-CE 4.1Å; V368-E412 HydrophobicContact CG1-CG 4.1Å; V368-E412 WeakPolarHBondContact CG1-OE1 3.32Å
369L97.3Very high97.7Very high8 Ų832.2 Ų32.24%0.04219%0.193CC..SBendtrans-99.3138.7-174.1-60.5-179000110.7V43 L317 F363 W365 A371 L411 E412V43-L369 HydrophobicContact CG2-CB 4.03Å; V43-L369 HydrophobicContact CG2-CD1 4.1Å; V43-L369 HydrophobicContact CG2-CD2 4.49Å; V43-L369 HydrophobicContact CG2-CG 4.42Å; L317-L369 HydrophobicContact CD1-CD1 4.43Å; F363-L369 HydrophobicContact CB-CD1 3.89Å; W365-L369 HydrophobicContact CB-CD1 3.96Å; W365-L369 HydrophobicContact CB-CG 3.98Å; W365-L369 PolarHBondContact O-N 3.5Å; L369-A371 PolarHBondContact O-N 3.12Å; L369-L411 HydrophobicContact CD2-CB 3.68Å; L369-E412 HydrophobicContact CD2-CG 4.21Å
370E96.6Very high97.7Very high133 Ų13332.3 Ų32.362%0.62119%0.194SC*.PPolyproline II helixtrans-69124.5172.5-173.8-178.8-178.900110
371A97.8Very high97.7Very high62 Ų6232.3 Ų32.351%0.51219%0.194SC..THydrogen-bonded Turntrans-69.4143.9179.500000111.9G42 L369 R373G42-A371 CarbonylContact O-C 3.52Å; L369-A371 PolarHBondContact O-N 3.12Å; A371-R373 PolarHBondContact O-N 2.98Å
372G97.1Very high97.7Very high48 Ų4832.3 Ų32.350%0.49519%0.194SC..THydrogen-bonded Turntrans77.16.5177.200000114.5N40 G42N40-G372 WeakPolarHBondContact O-CA 3.33Å; N40-G372 PolarHBondContact O-N 3.26Å; G42-G372 PolarHBondContact O-N 2.81Å
373R97.8Very high97.7Very high58 Ų5832.3 Ų32.322%0.21919%0.194CC..EExtended strand (participates in β ladder)trans-73.4141.8-177.1-177.7176-179.3160.73.3111.7G42 V43 R44 A371 I375 L411 G413G42-R373 PolarHBondContact O-N 3.49Å; G42-R373 VanDerWaalsContact O-N 3.12Å; V43-R373 CarbonylContact C-O 3.52Å; V43-R373 VanDerWaalsContact CA-O 3.29Å; V43-R373 WeakPolarHBondContact CA-O 3.44Å; V43-R373 HydrophobicContact CG1-CB 4.36Å; V43-R373 HydrophobicContact CG1-CG 4.32Å; V43-R373 HydrophobicContact CG2-CB 4.2Å; R44-R373 PolarHBondContact N-O 2.97Å; A371-R373 PolarHBondContact O-N 2.98Å; R373-I375 HydrophobicContact CG-CG1 4.37Å; R373-L411 PolarHBondContact NH1-O 3.44Å; R373-G413 VanDerWaalsContact CZ-CA 3.44Å
374V98.3Very high97.7Very high60 Ų6032.3 Ų32.336%0.36419%0.194SC..EExtended strand (participates in β ladder)trans-118.3133.2175.3-174.90000110R44 T46R44-V374 WeakPolarHBondContact O-CA 3.19Å; T46-V374 HydrophobicContact CG2-CG1 3.5Å
375I98.1Very high97.7Very high9 Ų931.9 Ų31.95%0.04619%0.193CC..EExtended strand (participates in β ladder)trans-121.8123.8178.6-63.6-179.1000109.2V43 R44 L45 T46 R373 E377 L410 L411V43-I375 HydrophobicContact CG1-CD1 3.53Å; V43-I375 HydrophobicContact CG1-CG1 3.79Å; R44-I375 PolarHBondContact O-N 3.41Å; L45-I375 WeakPolarHBondContact CA-O 3.07Å; L45-I375 HydrophobicContact CD2-CB 3.7Å; L45-I375 HydrophobicContact CD2-CD1 4.35Å; L45-I375 HydrophobicContact CD2-CG2 3.85Å; T46-I375 PolarHBondContact N-O 3Å; T46-I375 PolarHBondContact OG1-O 3.41Å; R373-I375 HydrophobicContact CG-CG1 4.37Å; I375-E377 HydrophobicContact CG2-CB 3.92Å; I375-E377 HydrophobicContact CG2-CG 4.43Å; I375-L410 HydrophobicContact CD1-CD1 4.49Å; I375-L410 HydrophobicContact CD1-CG 4.03Å; I375-L410 WeakPolarHBondContact CD1-O 3.21Å; I375-L410 HydrophobicContact CG2-CD1 4.12Å; I375-L410 HydrophobicContact CG2-CD2 3.97Å; I375-L410 HydrophobicContact CG2-CG 4.02Å; I375-L411 HydrophobicContact CD1-CD2 4.26Å
376N96.1Very high97.7Very high105 Ų10532.3 Ų32.356%0.56120%0.195SC*.  trans-99.3-4.5-177.3-58.7-41.2000113.7T46 Q47T46-N376 WeakPolarHBondContact CG2-OD1 3.1Å; T46-N376 WeakPolarHBondContact OG1-CA 3.24Å; T46-N376 PolarHBondContact OG1-OD1 3.22Å; Q47-N376 PolarHBondContact OE1-O 3.26Å; Q47-N376 VanDerWaalsContact OE1-O 3.04Å
377E96.4Very high97.8Very high23 Ų2329.9 Ų29.911%0.10718%0.18CC..SBendtrans-65.3143.4178.7-75.3-72.7136.600112I375 T379 L410 H417 S418 H437I375-E377 HydrophobicContact CG2-CB 3.92Å; I375-E377 HydrophobicContact CG2-CG 4.43Å; E377-T379 PolarHBondContact O-N 3.32Å; E377-L410 HydrophobicContact CB-CD1 4.39Å; E377-L410 HydrophobicContact CB-CD2 4.03Å; E377-L410 HydrophobicContact CG-CD1 4.11Å; E377-H417 IonicContact OE1-CE1 3.91Å; E377-H417 IonicContact OE1-CG 3.69Å; E377-H417 IonicContact OE1-ND1 3.38Å; E377-H417 PolarHBondContact OE1-ND1 3.38Å; E377-H417 WeakPolarHBondContact OE2-CA 3.3Å; E377-H417 IonicContact OE2-ND1 3.84Å; E377-S418 PolarHBondContact OE2-N 3.35Å; E377-S418 PolarHBondContact OE2-OG 2.93Å; E377-H437 VanDerWaalsContact CD-CE1 3.44Å; E377-H437 IonicContact OE1-CE1 3.59Å; E377-H437 PolarHBondContact OE1-CE1 3.35Å; E377-H437 VanDerWaalsContact OE1-CE1 3.25Å; E377-H437 IonicContact OE1-NE2 3.73Å; E377-H437 IonicContact OE2-CE1 3.68Å; E377-H437 PolarHBondContact OE2-CE1 3.33Å; E377-H437 IonicContact OE2-ND1 2.64Å; E377-H437 PolarHBondContact OE2-ND1 2.79Å
378P97.6Very high97.9Very high1 Ų126.4 Ų26.41%0.00616%0.155CC..  trans-65.4123.2175.626.7-32.3000110.7Q47 S418 L423 H437Q47-P378 HydrophobicContact CG-CB 4.22Å; P378-S418 VanDerWaalsContact O-CB 3.24Å; P378-S418 WeakPolarHBondContact O-CB 3.23Å; P378-S418 PolarHBondContact O-OG 2.88Å; P378-L423 HydrophobicContact CB-CD1 3.99Å; P378-H437 HydrophobicContact CG-CB 3.77Å
379T98.7Very high97.9Very high0 Ų025.1 Ų25.10%015%0.148CC..EExtended strand (participates in β ladder)trans-130.8161.5178.351.60000109.6L45 Q47 H48 L49 E377 L407 L410L45-T379 HydrophobicContact CD2-CG2 4.43Å; Q47-T379 PolarHBondContact O-N 3.44Å; Q47-T379 PolarHBondContact O-OG1 3.41Å; H48-T379 PolarHBondContact ND1-OG1 2.8Å; L49-T379 WeakPolarHBondContact CB-O 3.34Å; L49-T379 WeakPolarHBondContact CG-O 3.35Å; L49-T379 PolarHBondContact N-O 2.87Å; E377-T379 PolarHBondContact O-N 3.32Å; T379-L407 HydrophobicContact CG2-CD2 3.62Å; T379-L410 HydrophobicContact CG2-CD2 3.83Å
380S98.8Very high97.8Very high2 Ų227.3 Ų27.31%0.01416%0.156CC..EExtended strand (participates in β ladder)trans-125.7152-176.9-174.50000112.6H48 L49 M382 D383H48-S380 PolarHBondContact CE1-O 3.39Å; L49-S380 CarbonylContact O-C 3.54Å; L49-S380 WeakPolarHBondContact O-CA 3.32Å; L49-S380 PolarHBondContact O-OG 3.15Å; S380-M382 PolarHBondContact O-N 3.25Å; S380-M382 WeakPolarHBondContact OG-CE 3.21Å; S380-M382 PolarHBondContact OG-N 3.06Å; S380-D383 PolarHBondContact N-OD2 2.89Å; S380-D383 WeakPolarHBondContact O-CB 3.08Å; S380-D383 VanDerWaalsContact O-CG 3.25Å; S380-D383 PolarHBondContact O-N 3.28Å
381L98.8Very high97.8Very high0 Ų021.1 Ų21.10%013%0.127CC..G310 helixtrans-55.3-28.6165.5-70.3-171.4000112.5L49 A50 S58 F62 Y319 T321 V359 D383 I384L49-L381 PolarHBondContact O-N 2.89Å; A50-L381 HydrophobicContact CB-CD1 3.72Å; A50-L381 HydrophobicContact CB-CG 4.34Å; S58-L381 WeakPolarHBondContact OG-CD1 3.33Å; F62-L381 HydrophobicContact CD2-CB 4.21Å; F62-L381 HydrophobicContact CD2-CD2 4.47Å; Y319-L381 WeakPolarHBondContact OH-CD2 3.26Å; T321-L381 HydrophobicContact CG2-CD2 3.83Å; T321-L381 WeakPolarHBondContact OG1-CD2 3.09Å; V359-L381 HydrophobicContact CG2-CD2 4.12Å; V359-L381 HydrophobicContact CG2-CG 4.34Å; L381-D383 PolarHBondContact O-N 3.3Å; L381-I384 WeakPolarHBondContact O-CG2 3.26Å; L381-I384 PolarHBondContact O-N 3.22Å
382M98.8Very high97.6Very high1 Ų118.2 Ų18.21%0.00510%0.103CC..G310 helixtrans-63.5-22.5175.8-63.1-176.4-59.800112.4A51 A61 G65 R66 Y67 S380 I384 Y385 P386 D403A51-M382 HydrophobicContact CB-CE 4.43Å; A51-M382 HydrophobicContact CB-CG 3.8Å; A51-M382 HydrophobicContact CB-SD 3.83Å; A61-M382 HydrophobicContact CB-CG 3.97Å; A61-M382 HydrophobicContact CB-SD 4.45Å; G65-M382 WeakPolarHBondContact CA-O 3.48Å; R66-M382 VanDerWaalsContact C-SD 3.54Å; Y67-M382 HydrophobicContact CD1-CE 4.09Å; Y67-M382 HydrophobicContact CD1-SD 3.96Å; Y67-M382 HydrophobicContact CD2-CE 4.4Å; Y67-M382 HydrophobicContact CD2-SD 4.43Å; Y67-M382 HydrophobicContact CE1-CE 3.66Å; Y67-M382 HydrophobicContact CE1-SD 4.15Å; Y67-M382 HydrophobicContact CE2-CE 4Å; Y67-M382 HydrophobicContact CG-CE 4.43Å; Y67-M382 HydrophobicContact CG-SD 4.09Å; S380-M382 PolarHBondContact O-N 3.25Å; S380-M382 WeakPolarHBondContact OG-CE 3.21Å; S380-M382 PolarHBondContact OG-N 3.06Å; M382-I384 PolarHBondContact O-N 3.26Å; M382-Y385 WeakPolarHBondContact O-CB 3.27Å; M382-Y385 PolarHBondContact O-N 2.82Å; M382-P386 VanDerWaalsContact O-CD 3.27Å; M382-P386 WeakPolarHBondContact O-CD 3.26Å; M382-D403 HydrophobicContact CE-CB 3.78Å; M382-D403 HydrophobicContact SD-CB 3.82Å
383D98.9Very high97.2Very high0 Ų016.2 Ų16.20%08%0.082CC..G310 helixtrans-72-19.6-175.1-62.6-15.8000112.7S380 L381 Y385 P386 T387 G404 R405 L407 H420S380-D383 PolarHBondContact N-OD2 2.89Å; S380-D383 WeakPolarHBondContact O-CB 3.08Å; S380-D383 VanDerWaalsContact O-CG 3.25Å; S380-D383 PolarHBondContact O-N 3.28Å; L381-D383 PolarHBondContact O-N 3.3Å; D383-Y385 PolarHBondContact O-N 3.14Å; D383-P386 VanDerWaalsContact O-CD 3.28Å; D383-P386 WeakPolarHBondContact O-CD 3.43Å; D383-P386 WeakPolarHBondContact O-CG 3.5Å; D383-T387 VanDerWaalsContact O-CB 3.23Å; D383-T387 WeakPolarHBondContact O-CB 3.31Å; D383-T387 PolarHBondContact O-N 3.46Å; D383-T387 VanDerWaalsContact O-N 3.12Å; D383-T387 PolarHBondContact O-OG1 2.93Å; D383-G404 VanDerWaalsContact OD1-CA 3.29Å; D383-G404 WeakPolarHBondContact OD1-CA 3.48Å; D383-R405 WeakPolarHBondContact CA-O 3.48Å; D383-R405 WeakPolarHBondContact CB-O 3.14Å; D383-R405 PolarHBondContact OD1-N 3.23Å; D383-L407 HydrophobicContact CB-CD1 3.75Å; D383-L407 HydrophobicContact CB-CD2 3.8Å; D383-L407 HydrophobicContact CB-CG 3.6Å; D383-L407 WeakPolarHBondContact OD2-CD2 3.31Å; D383-H420 IonicContact OD1-CD2 3.73Å; D383-H420 IonicContact OD1-CE1 2.77Å; D383-H420 PolarHBondContact OD1-CE1 3.24Å; D383-H420 VanDerWaalsContact OD1-CE1 3.32Å; D383-H420 IonicContact OD1-NE2 2.61Å; D383-H420 PolarHBondContact OD1-NE2 3.38Å; D383-H420 IonicContact OD2-CD2 2.68Å; D383-H420 PolarHBondContact OD2-CD2 3.49Å; D383-H420 IonicContact OD2-NE2 3.81Å; D383-H420 PolarHBondContact OD2-NE2 2.99Å
384I98.6Very high96.6Very high2 Ų213.7 Ų13.71%0.017%0.074CC..Hα-helixtrans-58.6-37.9174.6-156.455.2000110.4L11 F62 F99 Y319 F363 L381 M382 T387 L388L11-I384 HydrophobicContact CD2-CD1 4.13Å; L11-I384 HydrophobicContact CD2-CG1 4.2Å; F62-I384 HydrophobicContact CD2-CB 4.25Å; F62-I384 HydrophobicContact CD2-CG2 3.51Å; F62-I384 HydrophobicContact CE2-CB 3.78Å; F62-I384 HydrophobicContact CE2-CG1 3.9Å; F62-I384 HydrophobicContact CE2-CG2 3.38Å; F62-I384 HydrophobicContact CG-CG2 4.17Å; F62-I384 HydrophobicContact CZ-CB 4.43Å; F62-I384 HydrophobicContact CZ-CG1 4.13Å; F62-I384 HydrophobicContact CZ-CG2 3.95Å; F62-I384 VanDerWaalsContact O-CG2 3.26Å; F62-I384 WeakPolarHBondContact O-CG2 3.45Å; F99-I384 HydrophobicContact CD1-CG2 4.08Å; F99-I384 HydrophobicContact CE1-CG2 4.07Å; Y319-I384 HydrophobicContact CD1-CD1 3.93Å; Y319-I384 HydrophobicContact CD1-CG1 4.35Å; Y319-I384 HydrophobicContact CE1-CD1 4.27Å; Y319-I384 HydrophobicContact CE1-CG1 4.42Å; Y319-I384 HydrophobicContact CG-CD1 4.12Å; F363-I384 HydrophobicContact CE1-CD1 4Å; F363-I384 HydrophobicContact CZ-CD1 4.28Å; L381-I384 WeakPolarHBondContact O-CG2 3.26Å; L381-I384 PolarHBondContact O-N 3.22Å; M382-I384 PolarHBondContact O-N 3.26Å; I384-T387 PolarHBondContact O-N 3.2Å; I384-L388 HydrophobicContact CD1-CD2 4.15Å; I384-L388 HydrophobicContact CD1-CG 4.14Å; I384-L388 HydrophobicContact CG1-CD1 3.97Å; I384-L388 HydrophobicContact CG1-CD2 4.49Å; I384-L388 HydrophobicContact CG1-CG 3.97Å; I384-L388 WeakPolarHBondContact O-CB 3.45Å; I384-L388 VanDerWaalsContact O-CG 3.23Å; I384-L388 WeakPolarHBondContact O-CG 3.22Å; I384-L388 PolarHBondContact O-N 3.16Å
385Y98.7Very high96.3Very high2 Ų215.8 Ų15.81%0.0088%0.082CC..Hα-helixtrans-60.5-57.6-174.4-179.5-94.2000112.9L63 T64 G65 T97 F99 L102 M382 D383 T387 L388 S389 L396 P397 I402L63-Y385 WeakPolarHBondContact O-CD2 2.93Å; L63-Y385 WeakPolarHBondContact O-CE2 3.32Å; T64-Y385 VanDerWaalsContact C-CD2 3.47Å; G65-Y385 VanDerWaalsContact CA-CB 3.47Å; T97-Y385 WeakPolarHBondContact O-CE2 3.43Å; T97-Y385 PolarHBondContact O-OH 3.41Å; F99-Y385 HydrophobicContact CB-CD2 3.76Å; F99-Y385 HydrophobicContact CB-CE2 4.29Å; F99-Y385 HydrophobicContact CD1-CD2 4.46Å; F99-Y385 VanDerWaalsContact N-CE2 3.34Å; L102-Y385 HydrophobicContact CD1-CE1 4Å; L102-Y385 HydrophobicContact CD1-CE2 3.85Å; L102-Y385 HydrophobicContact CG-CE2 4.47Å; M382-Y385 WeakPolarHBondContact O-CB 3.27Å; M382-Y385 PolarHBondContact O-N 2.82Å; D383-Y385 PolarHBondContact O-N 3.14Å; Y385-T387 VanDerWaalsContact C-N 3.33Å; Y385-T387 PolarHBondContact O-N 2.98Å; Y385-L388 PolarHBondContact O-N 2.95Å; Y385-S389 PolarHBondContact O-N 3.02Å; Y385-L396 HydrophobicContact CD1-CD2 3.67Å; Y385-L396 HydrophobicContact CE1-CD2 3.39Å; Y385-P397 WeakPolarHBondContact OH-CD 3.36Å; Y385-P397 WeakPolarHBondContact OH-CG 3.42Å; Y385-I402 HydrophobicContact CD1-CG2 4.04Å; Y385-I402 HydrophobicContact CE1-CD1 3.91Å; Y385-I402 HydrophobicContact CE1-CG1 4.46Å; Y385-I402 HydrophobicContact CE1-CG2 4.35Å
386P98.4Very high96.2Very high8 Ų817.6 Ų17.65%0.0529%0.092CC..Hα-helixtrans-68.1-29.5174.430.3-38.6000113.7M382 D383 S389 Y390 L396 R405 N406M382-P386 VanDerWaalsContact O-CD 3.27Å; M382-P386 WeakPolarHBondContact O-CD 3.26Å; D383-P386 VanDerWaalsContact O-CD 3.28Å; D383-P386 WeakPolarHBondContact O-CD 3.43Å; D383-P386 WeakPolarHBondContact O-CG 3.5Å; P386-S389 PolarHBondContact O-N 3.24Å; P386-Y390 WeakPolarHBondContact O-CB 3.37Å; P386-Y390 PolarHBondContact O-N 3.21Å; P386-L396 HydrophobicContact CB-CD1 3.93Å; P386-L396 HydrophobicContact CB-CD2 4.3Å; P386-R405 WeakPolarHBondContact CG-O 3.17Å; P386-N406 HydrophobicContact CB-CB 4.48Å
387T98.3Very high96.2Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-63.3-47.5175.7-57.60000111D383 I384 Y385 Y390 I391 L407 M408D383-T387 VanDerWaalsContact O-CB 3.23Å; D383-T387 WeakPolarHBondContact O-CB 3.31Å; D383-T387 PolarHBondContact O-N 3.46Å; D383-T387 VanDerWaalsContact O-N 3.12Å; D383-T387 PolarHBondContact O-OG1 2.93Å; I384-T387 PolarHBondContact O-N 3.2Å; Y385-T387 VanDerWaalsContact C-N 3.33Å; Y385-T387 PolarHBondContact O-N 2.98Å; T387-Y390 WeakPolarHBondContact O-CB 3.29Å; T387-Y390 PolarHBondContact O-N 3.02Å; T387-I391 PolarHBondContact O-N 3.16Å; T387-I391 VanDerWaalsContact O-N 3.11Å; T387-L407 HydrophobicContact CG2-CB 4.36Å; T387-L407 PolarHBondContact OG1-N 2.72Å; T387-M408 HydrophobicContact CG2-CG 3.96Å; T387-M408 HydrophobicContact CG2-SD 3.98Å
388L97.8Very high96.2Very high1 Ų120.4 Ų20.41%0.00510%0.103CC..Hα-helixtrans-67.8-37.8176.4-64.4-170.2000112.1I9 L11 F99 L103 L317 I384 Y385 Y390 I391 G392I9-L388 HydrophobicContact CD1-CD2 4.01Å; I9-L388 HydrophobicContact CG1-CD2 4.28Å; I9-L388 HydrophobicContact CG2-CD1 4.21Å; I9-L388 HydrophobicContact CG2-CD2 3.72Å; L11-L388 HydrophobicContact CD1-CD1 3.85Å; L11-L388 HydrophobicContact CD2-CD1 4.19Å; F99-L388 HydrophobicContact CB-CB 4.5Å; F99-L388 HydrophobicContact CB-CD1 4.24Å; F99-L388 HydrophobicContact CD1-CD1 4.43Å; F99-L388 HydrophobicContact CD2-CD1 3.82Å; F99-L388 HydrophobicContact CE2-CD1 4.31Å; F99-L388 HydrophobicContact CG-CD1 3.93Å; L103-L388 HydrophobicContact CD1-CB 4.34Å; L103-L388 HydrophobicContact CD1-CD1 4.3Å; L317-L388 HydrophobicContact CD2-CD2 4.15Å; I384-L388 HydrophobicContact CD1-CD2 4.15Å; I384-L388 HydrophobicContact CD1-CG 4.14Å; I384-L388 HydrophobicContact CG1-CD1 3.97Å; I384-L388 HydrophobicContact CG1-CD2 4.49Å; I384-L388 HydrophobicContact CG1-CG 3.97Å; I384-L388 WeakPolarHBondContact O-CB 3.45Å; I384-L388 VanDerWaalsContact O-CG 3.23Å; I384-L388 WeakPolarHBondContact O-CG 3.22Å; I384-L388 PolarHBondContact O-N 3.16Å; Y385-L388 PolarHBondContact O-N 2.95Å; L388-Y390 VanDerWaalsContact C-N 3.28Å; L388-Y390 PolarHBondContact O-N 3.19Å; L388-I391 HydrophobicContact CD2-CD1 3.76Å; L388-I391 HydrophobicContact CD2-CG1 4.48Å; L388-G392 PolarHBondContact O-N 3.5Å
389S96.5Very high96.1Very high5 Ų525.9 Ų25.94%0.03513%0.133CC..Hα-helixtrans-59.3-40.3171.6-171.30000111.5Y385 P386 G393 G394Y385-S389 PolarHBondContact O-N 3.02Å; P386-S389 PolarHBondContact O-N 3.24Å; S389-G393 CarbonylContact O-C 3.59Å; S389-G393 PolarHBondContact O-N 2.91Å; S389-G393 VanDerWaalsContact O-N 3.13Å; S389-G394 PolarHBondContact O-N 2.84Å; S389-G394 WeakPolarHBondContact OG-CA 3.4Å; S389-G394 PolarHBondContact OG-O 3.38Å
390Y96Very high96Very high54 Ų5428.4 Ų28.421%0.21214%0.142CC..Hα-helixtrans-67-48.3-179.4178.4-96.4000112.6R3 N4 P386 T387 L388 N406 M408R3-Y390 HydrophobicContact CB-CE2 4.23Å; R3-Y390 HydrophobicContact CG-CD2 4.43Å; R3-Y390 HydrophobicContact CG-CE2 4.35Å; N4-Y390 PolarHBondContact N-O 2.74Å; P386-Y390 WeakPolarHBondContact O-CB 3.37Å; P386-Y390 PolarHBondContact O-N 3.21Å; T387-Y390 WeakPolarHBondContact O-CB 3.29Å; T387-Y390 PolarHBondContact O-N 3.02Å; L388-Y390 VanDerWaalsContact C-N 3.28Å; L388-Y390 PolarHBondContact O-N 3.19Å; Y390-N406 WeakPolarHBondContact CD2-ND2 3.44Å; Y390-M408 HydrophobicContact CD1-CB 4.01Å; Y390-M408 HydrophobicContact CD1-CG 3.73Å; Y390-M408 HydrophobicContact CE1-CB 4Å; Y390-M408 HydrophobicContact CE1-CG 4.11Å
391I95.6Very high96Very high3 Ų331.3 Ų31.32%0.01516%0.16CC..Hα-helixtrans-76.8-35.3-176.969-175.3000112.6N4 A5 R6 P7 I9 L317 W365 T387 L388 G393 M408N4-I391 CarbonylContact C-O 3.47Å; A5-I391 PolarHBondContact N-O 3.27Å; R6-I391 PolarHBondContact N-O 3.35Å; R6-I391 VanDerWaalsContact N-O 3.11Å; P7-I391 HydrophobicContact CG-CB 4.35Å; P7-I391 HydrophobicContact CG-CD1 4.04Å; P7-I391 HydrophobicContact CG-CG1 4.24Å; I9-I391 HydrophobicContact CD1-CD1 4.24Å; I9-I391 HydrophobicContact CD1-CG1 4.45Å; I9-I391 HydrophobicContact CG1-CD1 4.2Å; L317-I391 HydrophobicContact CB-CD1 4.48Å; L317-I391 HydrophobicContact CD2-CD1 3.4Å; W365-I391 HydrophobicContact CZ3-CD1 4.44Å; W365-I391 HydrophobicContact CZ3-CG2 4.19Å; T387-I391 PolarHBondContact O-N 3.16Å; T387-I391 VanDerWaalsContact O-N 3.11Å; L388-I391 HydrophobicContact CD2-CD1 3.76Å; L388-I391 HydrophobicContact CD2-CG1 4.48Å; I391-G393 VanDerWaalsContact C-N 3.32Å; I391-M408 HydrophobicContact CG2-CE 4.33Å; I391-M408 HydrophobicContact CG2-CG 3.62Å; I391-M408 HydrophobicContact CG2-SD 3.77Å
392G93.9Very high96Very high0 Ų032.7 Ų32.70%017%0.167CC..THydrogen-bonded Turntrans-86.1-0.3179.400000114.2R106 L388 G394R106-G392 WeakPolarHBondContact CB-O 3.42Å; L388-G392 PolarHBondContact O-N 3.5Å; G392-G394 VanDerWaalsContact C-N 3.3Å; G392-G394 PolarHBondContact O-N 3.14Å
393G88.4Confident96Very high6 Ų633.6 Ų33.66%0.06217%0.171CC..THydrogen-bonded Turntrans76.211.1178.900000115N4 R106 S389 I391N4-G393 WeakPolarHBondContact OD1-CA 3.15Å; R106-G393 PolarHBondContact NE-O 2.82Å; R106-G393 PolarHBondContact NH2-O 2.89Å; S389-G393 CarbonylContact O-C 3.59Å; S389-G393 PolarHBondContact O-N 2.91Å; S389-G393 VanDerWaalsContact O-N 3.13Å; I391-G393 VanDerWaalsContact C-N 3.32Å
394G86.9Confident95.9Very high5 Ų533.8 Ų33.85%0.05217%0.174CC..  trans-57.5155174.500000113.1S389 G392S389-G394 PolarHBondContact O-N 2.84Å; S389-G394 WeakPolarHBondContact OG-CA 3.4Å; S389-G394 PolarHBondContact OG-O 3.38Å; G392-G394 VanDerWaalsContact C-N 3.3Å; G392-G394 PolarHBondContact O-N 3.14Å
395I90.8Very high95.9Very high104 Ų10439.3 Ų39.353%0.53319%0.194SC..  trans-107.1125168.7-66.6162.3000106.7L102 R106L102-I395 WeakPolarHBondContact CD2-O 3.17Å; R106-I395 VanDerWaalsContact NH2-CD1 3.33Å
396L95.8Very high95.9Very high47 Ų4741 Ų4125%0.24620%0.204CC..  trans-67.3143.2175.9-64.5175.1000110.2L102 Y385 P386 Q398L102-L396 HydrophobicContact CD1-CD2 4.25Å; Y385-L396 HydrophobicContact CD1-CD2 3.67Å; Y385-L396 HydrophobicContact CE1-CD2 3.39Å; P386-L396 HydrophobicContact CB-CD1 3.93Å; P386-L396 HydrophobicContact CB-CD2 4.3Å; L396-Q398 PolarHBondContact O-N 3.12Å; L396-Q398 PolarHBondContact O-NE2 2.64Å
397P95.9Very high95.9Very high21 Ų2141 Ų4114%0.13620%0.203CC..  trans-54134.3172.3-23.833.5000111.3T97 Y385 D399 R400T97-P397 HydrophobicContact CG2-CG 4.46Å; Y385-P397 WeakPolarHBondContact OH-CD 3.36Å; Y385-P397 WeakPolarHBondContact OH-CG 3.42Å; P397-D399 VanDerWaalsContact CB-OD1 3.29Å; P397-D399 WeakPolarHBondContact CB-OD1 3.35Å; P397-R400 HydrophobicContact CB-CG 4.02Å
398Q96.4Very high95.8Very high166 Ų16641 Ų4178%0.77620%0.203SC*.SBendtrans-101.7-8.1178.9-58.6-58.7-62.200112.4L396 R400L396-Q398 PolarHBondContact O-N 3.12Å; L396-Q398 PolarHBondContact O-NE2 2.64Å; Q398-R400 VanDerWaalsContact C-N 3.3Å
399D96.4Very high95.8Very high117 Ų11742.7 Ų42.763%0.62621%0.214SC*.SBendtrans-84.1-3.4-178.367.4-30.3000113.1P397P397-D399 VanDerWaalsContact CB-OD1 3.29Å; P397-D399 WeakPolarHBondContact CB-OD1 3.35Å
400R96.8Very high95.8Very high53 Ų5342.8 Ų42.820%0.222%0.215CC..SBendtrans-154.5157.2-171.975.1-169.866.1-165.9-2.2111.7R66 N95 E96 P397 Q398 I402R66-R400 VanDerWaalsContact NH1-CB 3.32Å; N95-R400 PolarHBondContact O-NH1 3.05Å; N95-R400 PolarHBondContact O-NH2 3.37Å; N95-R400 VanDerWaalsContact O-NH2 3.15Å; E96-R400 IonicContact OE2-NH1 2.75Å; E96-R400 PolarHBondContact OE2-NH1 2.73Å; P397-R400 HydrophobicContact CB-CG 4.02Å; Q398-R400 VanDerWaalsContact C-N 3.3Å; R400-I402 HydrophobicContact CG-CD1 4.2Å
401V97.8Very high95.9Very high63 Ų6340.3 Ų40.338%0.38221%0.205SC..  trans-69.6133.9174.8-179.90000110.6R66R66-V401 WeakPolarHBondContact CG-O 3.31Å; R66-V401 PolarHBondContact NH1-O 3.23Å
402I98.4Very high96Very high29 Ų2941.8 Ų41.815%0.14921%0.212CC..  trans-109.7122.6167.4-56.4-57.7000107.2R66 Y385 R400R66-I402 HydrophobicContact CG-CD1 4.04Å; Y385-I402 HydrophobicContact CD1-CG2 4.04Å; Y385-I402 HydrophobicContact CE1-CD1 3.91Å; Y385-I402 HydrophobicContact CE1-CG1 4.46Å; Y385-I402 HydrophobicContact CE1-CG2 4.35Å; R400-I402 HydrophobicContact CG-CD1 4.2Å
403D98.6Very high96Very high19 Ų1943.5 Ų43.510%0.10223%0.229CC..  trans-86.9-32.2-176.1-58.4-67.7000111.7G65 R66 Y67 R70 M382G65-D403 PolarHBondContact O-N 3.38Å; R66-D403 VanDerWaalsContact CA-OD2 3.28Å; R66-D403 WeakPolarHBondContact CA-OD2 3.46Å; Y67-D403 HydrophobicContact CD2-CB 3.92Å; Y67-D403 WeakPolarHBondContact CD2-OD1 3.3Å; Y67-D403 WeakPolarHBondContact CD2-OD2 3.48Å; Y67-D403 HydrophobicContact CE2-CB 4.01Å; Y67-D403 PolarHBondContact N-OD2 2.93Å; R70-D403 VanDerWaalsContact CD-OD2 3.27Å; R70-D403 WeakPolarHBondContact CD-OD2 3.2Å; R70-D403 IonicContact CZ-OD1 2.68Å; R70-D403 VanDerWaalsContact CZ-OD1 3.26Å; R70-D403 IonicContact CZ-OD2 3.15Å; R70-D403 VanDerWaalsContact NE-CG 3.28Å; R70-D403 IonicContact NE-OD1 3.27Å; R70-D403 PolarHBondContact NE-OD1 3.42Å; R70-D403 IonicContact NE-OD2 2.78Å; R70-D403 PolarHBondContact NE-OD2 2.79Å; R70-D403 IonicContact NH2-OD1 3.51Å; R70-D403 PolarHBondContact NH2-OD1 3.01Å; R70-D403 IonicContact NH2-OD2 2.69Å; M382-D403 HydrophobicContact CE-CB 3.78Å; M382-D403 HydrophobicContact SD-CB 3.82Å
404G98.5Very high96.4Very high5 Ų550 Ų505%0.05225%0.251CS..  trans-61.3152.6175.300000112.6G65 D383G65-G404 PolarHBondContact O-N 3.48Å; D383-G404 VanDerWaalsContact OD1-CA 3.29Å; D383-G404 WeakPolarHBondContact OD1-CA 3.48Å
405R98.3Very high96.8Very high117 Ų11751.1 Ų51.144%0.44226%0.26SS..  trans-119.8147.9177.4-57.7-63-179.5177.5-1.5111.3D383 P386 L407 D419 H420D383-R405 WeakPolarHBondContact CA-O 3.48Å; D383-R405 WeakPolarHBondContact CB-O 3.14Å; D383-R405 PolarHBondContact OD1-N 3.23Å; P386-R405 WeakPolarHBondContact CG-O 3.17Å; R405-L407 PolarHBondContact O-N 3Å; R405-D419 HydrophobicContact CB-CB 3.9Å; R405-D419 HydrophobicContact CG-CB 3.65Å; R405-H420 VanDerWaalsContact CG-CE1 3.45Å; R405-H420 WeakPolarHBondContact CG-CE1 3.38Å
406N97.7Very high96.9Very high39 Ų3950.9 Ų50.921%0.20927%0.268CS..  trans-70.8119.5178.6175.619.3000110.2P386 Y390 M408 P409P386-N406 HydrophobicContact CB-CB 4.48Å; Y390-N406 WeakPolarHBondContact CD2-ND2 3.44Å; N406-M408 PolarHBondContact OD1-N 2.99Å; N406-P409 WeakPolarHBondContact O-CD 3.39Å
407L98.1Very high96.8Very high6 Ų652.1 Ų52.13%0.03127%0.273CS..  trans-82.1-15.8-178.7-61.6179.5000113.7F363 T379 D383 T387 R405 L410 L411F363-L407 HydrophobicContact CE2-CD1 4.04Å; F363-L407 HydrophobicContact CZ-CD1 3.77Å; T379-L407 HydrophobicContact CG2-CD2 3.62Å; D383-L407 HydrophobicContact CB-CD1 3.75Å; D383-L407 HydrophobicContact CB-CD2 3.8Å; D383-L407 HydrophobicContact CB-CG 3.6Å; D383-L407 WeakPolarHBondContact OD2-CD2 3.31Å; T387-L407 HydrophobicContact CG2-CB 4.36Å; T387-L407 PolarHBondContact OG1-N 2.72Å; R405-L407 PolarHBondContact O-N 3Å; L407-L410 HydrophobicContact CD2-CD2 4.45Å; L407-L410 WeakPolarHBondContact O-CA 3.34Å; L407-L410 WeakPolarHBondContact O-CB 3.43Å; L407-L410 PolarHBondContact O-N 2.73Å; L407-L411 HydrophobicContact CB-CD1 3.77Å; L407-L411 HydrophobicContact CB-CG 3.94Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 2.76Å
408M97.2Very high96.8Very high0 Ų051.3 Ų51.30%027%0.267CS..Hα-helixtrans-54.8-43.5-173-70.6-52.2-60.500114.2W365 V368 T387 Y390 I391 N406 L410 L411 E412W365-M408 HydrophobicContact CE3-CE 4.35Å; W365-M408 HydrophobicContact CZ3-CE 4.11Å; V368-M408 HydrophobicContact CG1-CE 4.1Å; T387-M408 HydrophobicContact CG2-CG 3.96Å; T387-M408 HydrophobicContact CG2-SD 3.98Å; Y390-M408 HydrophobicContact CD1-CB 4.01Å; Y390-M408 HydrophobicContact CD1-CG 3.73Å; Y390-M408 HydrophobicContact CE1-CB 4Å; Y390-M408 HydrophobicContact CE1-CG 4.11Å; I391-M408 HydrophobicContact CG2-CE 4.33Å; I391-M408 HydrophobicContact CG2-CG 3.62Å; I391-M408 HydrophobicContact CG2-SD 3.77Å; N406-M408 PolarHBondContact OD1-N 2.99Å; M408-L410 VanDerWaalsContact C-N 3.27Å; M408-L410 PolarHBondContact O-N 2.98Å; M408-L411 PolarHBondContact O-N 2.74Å; M408-L411 HydrophobicContact SD-CD1 4.26Å; M408-E412 HydrophobicContact CE-CG 3.98Å; M408-E412 WeakPolarHBondContact CE-OE1 3.39Å; M408-E412 VanDerWaalsContact O-CB 3.28Å; M408-E412 WeakPolarHBondContact O-CB 3.4Å; M408-E412 VanDerWaalsContact O-CG 3.27Å; M408-E412 WeakPolarHBondContact O-CG 3.46Å; M408-E412 PolarHBondContact O-N 3.03Å
409P97.1Very high96.7Very high37 Ų3748 Ų4824%0.2426%0.255CS..Hα-helixtrans-59.4-38.4175.8-24.235.6000113.1N406 G413 R414 A415N406-P409 WeakPolarHBondContact O-CD 3.39Å; P409-G413 PolarHBondContact O-N 3.14Å; P409-R414 WeakPolarHBondContact O-CA 3.46Å; P409-R414 PolarHBondContact O-N 3.1Å; P409-A415 HydrophobicContact CB-CB 3.92Å; P409-A415 PolarHBondContact O-N 3.14Å
410L97.6Very high96.7Very high8 Ų842.8 Ų42.84%0.04223%0.227CC..Hα-helixtrans-72.2-46.6179-177.961.8000111.2I375 E377 T379 L407 M408 E412 G413I375-L410 HydrophobicContact CD1-CD1 4.49Å; I375-L410 HydrophobicContact CD1-CG 4.03Å; I375-L410 WeakPolarHBondContact CD1-O 3.21Å; I375-L410 HydrophobicContact CG2-CD1 4.12Å; I375-L410 HydrophobicContact CG2-CD2 3.97Å; I375-L410 HydrophobicContact CG2-CG 4.02Å; E377-L410 HydrophobicContact CB-CD1 4.39Å; E377-L410 HydrophobicContact CB-CD2 4.03Å; E377-L410 HydrophobicContact CG-CD1 4.11Å; T379-L410 HydrophobicContact CG2-CD2 3.83Å; L407-L410 HydrophobicContact CD2-CD2 4.45Å; L407-L410 WeakPolarHBondContact O-CA 3.34Å; L407-L410 WeakPolarHBondContact O-CB 3.43Å; L407-L410 PolarHBondContact O-N 2.73Å; M408-L410 VanDerWaalsContact C-N 3.27Å; M408-L410 PolarHBondContact O-N 2.98Å; L410-E412 PolarHBondContact O-N 3.13Å; L410-G413 PolarHBondContact O-N 3.16Å; L410-G413 VanDerWaalsContact O-N 3.1Å
411L97.9Very high96.7Very high1 Ų144 Ų441%0.00524%0.235CC..Hα-helixtrans-63-39178.8-65.4173000112.4V43 L45 F363 L369 R373 I375 L407 M408 G413V43-L411 HydrophobicContact CB-CD2 4.18Å; V43-L411 HydrophobicContact CG1-CD2 3.92Å; L45-L411 HydrophobicContact CD2-CD2 4.41Å; F363-L411 HydrophobicContact CB-CD2 4.33Å; F363-L411 HydrophobicContact CD1-CD1 3.92Å; F363-L411 HydrophobicContact CD2-CD1 4.28Å; F363-L411 HydrophobicContact CD2-CD2 3.83Å; F363-L411 HydrophobicContact CE1-CD1 4.11Å; F363-L411 HydrophobicContact CE2-CD1 4.49Å; F363-L411 HydrophobicContact CE2-CD2 4.35Å; F363-L411 HydrophobicContact CG-CD1 3.98Å; F363-L411 HydrophobicContact CG-CD2 4.08Å; F363-L411 HydrophobicContact CZ-CD1 4.39Å; L369-L411 HydrophobicContact CD2-CB 3.68Å; R373-L411 PolarHBondContact NH1-O 3.44Å; I375-L411 HydrophobicContact CD1-CD2 4.26Å; L407-L411 HydrophobicContact CB-CD1 3.77Å; L407-L411 HydrophobicContact CB-CG 3.94Å; L407-L411 WeakPolarHBondContact O-CG 3.36Å; L407-L411 PolarHBondContact O-N 2.76Å; M408-L411 PolarHBondContact O-N 2.74Å; M408-L411 HydrophobicContact SD-CD1 4.26Å; L411-G413 VanDerWaalsContact C-N 3.28Å; L411-G413 PolarHBondContact O-N 2.91Å
412E96.7Very high96.7Very high35 Ų3543 Ų4316%0.16423%0.225CC..THydrogen-bonded Turntrans-80.6-6.3176.5-65.7177.2167.900112.9M1 V368 L369 M408 L410 R414M1-E412 WeakPolarHBondContact CB-OE1 3.32Å; M1-E412 VanDerWaalsContact N-CD 3.32Å; M1-E412 PolarHBondContact N-OE1 3.38Å; M1-E412 PolarHBondContact N-OE2 3.19Å; V368-E412 HydrophobicContact CG1-CG 4.1Å; V368-E412 WeakPolarHBondContact CG1-OE1 3.32Å; L369-E412 HydrophobicContact CD2-CG 4.21Å; M408-E412 HydrophobicContact CE-CG 3.98Å; M408-E412 WeakPolarHBondContact CE-OE1 3.39Å; M408-E412 VanDerWaalsContact O-CB 3.28Å; M408-E412 WeakPolarHBondContact O-CB 3.4Å; M408-E412 VanDerWaalsContact O-CG 3.27Å; M408-E412 WeakPolarHBondContact O-CG 3.46Å; M408-E412 PolarHBondContact O-N 3.03Å; L410-E412 PolarHBondContact O-N 3.13Å; E412-R414 VanDerWaalsContact C-N 3.27Å; E412-R414 HydrophobicContact CB-CG 4.28Å; E412-R414 PolarHBondContact O-N 2.88Å; E412-R414 IonicContact OE2-CZ 2.69Å; E412-R414 IonicContact OE2-NE 2.83Å; E412-R414 PolarHBondContact OE2-NE 2.95Å; E412-R414 IonicContact OE2-NH2 2.67Å; E412-R414 PolarHBondContact OE2-NH2 3.17Å
413G95.8Very high96.7Very high35 Ų3541.8 Ų41.836%0.36122%0.219SC..THydrogen-bonded Turntrans69.718.9-176.900000116.2R373 P409 L410 L411 A415R373-G413 VanDerWaalsContact CZ-CA 3.44Å; P409-G413 PolarHBondContact O-N 3.14Å; L410-G413 PolarHBondContact O-N 3.16Å; L410-G413 VanDerWaalsContact O-N 3.1Å; L411-G413 VanDerWaalsContact C-N 3.28Å; L411-G413 PolarHBondContact O-N 2.91Å; G413-A415 VanDerWaalsContact C-N 3.27Å
414R96.3Very high96.7Very high142 Ų14241.7 Ų41.754%0.53622%0.218SC..SBendtrans-77.2-17.8169.8-63.7-169.6-71.2143.2-7.1112.4P409 E412P409-R414 WeakPolarHBondContact O-CA 3.46Å; P409-R414 PolarHBondContact O-N 3.1Å; E412-R414 VanDerWaalsContact C-N 3.27Å; E412-R414 HydrophobicContact CB-CG 4.28Å; E412-R414 PolarHBondContact O-N 2.88Å; E412-R414 IonicContact OE2-CZ 2.69Å; E412-R414 IonicContact OE2-NE 2.83Å; E412-R414 PolarHBondContact OE2-NE 2.95Å; E412-R414 IonicContact OE2-NH2 2.67Å; E412-R414 PolarHBondContact OE2-NH2 3.17Å
415A95.3Very high96.7Very high29 Ų2941.7 Ų41.724%0.2422%0.217CC..  trans-125.6137171.800000109.9P409 G413P409-A415 HydrophobicContact CB-CB 3.92Å; P409-A415 PolarHBondContact O-N 3.14Å; G413-A415 VanDerWaalsContact C-N 3.27Å
416S92.3Very high96.7Very high100 Ų10036.8 Ų36.870%0.69920%0.198SC*.SBendtrans-82.3-25.6176.1-52.20000112.8
417H94.8Very high96.6Very high72 Ų7235 Ų3533%0.33319%0.189SC..SBendtrans-122.3148.3-177.4-60.3-65.5000112.2E377 K439E377-H417 IonicContact OE1-CE1 3.91Å; E377-H417 IonicContact OE1-CG 3.69Å; E377-H417 IonicContact OE1-ND1 3.38Å; E377-H417 PolarHBondContact OE1-ND1 3.38Å; E377-H417 WeakPolarHBondContact OE2-CA 3.3Å; E377-H417 IonicContact OE2-ND1 3.84Å; H417-K439 HydrophobicContact CB-CD 3.96Å; H417-K439 HydrophobicContact CB-CG 4.37Å
418S94.2Very high96.3Very high4 Ų435.6 Ų35.63%0.02820%0.196CC..  trans-64.7155.4165.460.40000111.1E377 P378 H420 K439E377-S418 PolarHBondContact OE2-N 3.35Å; E377-S418 PolarHBondContact OE2-OG 2.93Å; P378-S418 VanDerWaalsContact O-CB 3.24Å; P378-S418 WeakPolarHBondContact O-CB 3.23Å; P378-S418 PolarHBondContact O-OG 2.88Å; S418-H420 PolarHBondContact O-N 3.1Å; S418-K439 WeakPolarHBondContact O-CE 3.39Å; S418-K439 PolarHBondContact O-NZ 3.16Å
419D95.1Very high96.2Very high97 Ų9736.8 Ų36.852%0.51921%0.209SC..SBendtrans-78.42.3172.3-74.3-22.7000112.8R405 E421R405-D419 HydrophobicContact CB-CB 3.9Å; R405-D419 HydrophobicContact CG-CB 3.65Å; D419-E421 PolarHBondContact O-N 2.75Å
420H96.8Very high96.2Very high7 Ų739 Ų393%0.03221%0.213CC..  trans-86.495.7177.5-71.3-57.5000111.1D383 R405 S418 L423D383-H420 IonicContact OD1-CD2 3.73Å; D383-H420 IonicContact OD1-CE1 2.77Å; D383-H420 PolarHBondContact OD1-CE1 3.24Å; D383-H420 VanDerWaalsContact OD1-CE1 3.32Å; D383-H420 IonicContact OD1-NE2 2.61Å; D383-H420 PolarHBondContact OD1-NE2 3.38Å; D383-H420 IonicContact OD2-CD2 2.68Å; D383-H420 PolarHBondContact OD2-CD2 3.49Å; D383-H420 IonicContact OD2-NE2 3.81Å; D383-H420 PolarHBondContact OD2-NE2 2.99Å; R405-H420 VanDerWaalsContact CG-CE1 3.45Å; R405-H420 WeakPolarHBondContact CG-CE1 3.38Å; S418-H420 PolarHBondContact O-N 3.1Å; H420-L423 HydrophobicContact CB-CD1 3.96Å; H420-L423 HydrophobicContact CB-CG 4.16Å
421E96.2Very high96.1Very high80 Ų8039.6 Ų39.637%0.37422%0.216SC..SBendtrans-78.8-46164.9-172.7-178164.900110.7D419 W436 H437 K509D419-E421 PolarHBondContact O-N 2.75Å; E421-W436 CarbonylContact O-C 3.58Å; E421-W436 WeakPolarHBondContact O-CA 3.23Å; E421-W436 PolarHBondContact OE1-NE1 2.79Å; E421-H437 PolarHBondContact O-N 3.16Å; E421-K509 IonicContact OE1-NZ 3.14Å
422F98.3Very high96.1Very high40 Ų4039.6 Ų39.618%0.17522%0.216CC..EExtended strand (participates in β ladder)trans-122.7138.7178.6-69.2-83.2000111.8F424 V434 R435 W436 K509 M510 A513F422-F424 HydrophobicContact CB-CE2 4.1Å; F422-F424 HydrophobicContact CB-CZ 3.92Å; F422-V434 HydrophobicContact CD1-CG1 4.1Å; F422-R435 WeakPolarHBondContact CA-O 3.48Å; F422-W436 HydrophobicContact CD1-CB 3.84Å; F422-W436 AromaticContact CD1-CD1 3.89Å; F422-W436 HydrophobicContact CD1-CG 4.02Å; F422-W436 HydrophobicContact CE1-CB 3.53Å; F422-W436 AromaticContact CE1-CD1 3.34Å; F422-W436 HydrophobicContact CE1-CD2 4.06Å; F422-W436 AromaticContact CE1-CG 3.34Å; F422-W436 HydrophobicContact CE1-CG 3.34Å; F422-W436 AromaticContact CE2-CD1 3.8Å; F422-W436 AromaticContact CE2-NE1 3.96Å; F422-W436 HydrophobicContact CZ-CB 4.33Å; F422-W436 AromaticContact CZ-CD1 3.26Å; F422-W436 HydrophobicContact CZ-CD2 4.08Å; F422-W436 AromaticContact CZ-CG 3.65Å; F422-W436 HydrophobicContact CZ-CG 3.65Å; F422-W436 AromaticContact CZ-NE1 3.49Å; F422-K509 HydrophobicContact CZ-CD 4.4Å; F422-K509 HydrophobicContact CZ-CG 3.94Å; F422-M510 HydrophobicContact CE1-CG 4.39Å; F422-A513 HydrophobicContact CD1-CB 3.52Å; F422-A513 HydrophobicContact CD2-CB 3.9Å; F422-A513 HydrophobicContact CE1-CB 3.5Å; F422-A513 HydrophobicContact CE2-CB 3.89Å; F422-A513 HydrophobicContact CG-CB 3.72Å; F422-A513 HydrophobicContact CZ-CB 3.72Å
423L98.6Very high96.2Very high5 Ų538 Ų383%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-130.5132.5172.1-75.7155000109.4L49 P378 H420 R435L49-L423 HydrophobicContact CD1-CD1 3.65Å; P378-L423 HydrophobicContact CB-CD1 3.99Å; H420-L423 HydrophobicContact CB-CD1 3.96Å; H420-L423 HydrophobicContact CB-CG 4.16Å; L423-R435 HydrophobicContact CB-CB 4.24Å; L423-R435 PolarHBondContact N-O 3.18Å; L423-R435 PolarHBondContact O-N 3.17Å
424F98.6Very high96.3Very high17 Ų1736.3 Ų36.38%0.07519%0.191CC..EExtended strand (participates in β ladder)trans-106.1128.6-176.9-55.1-82.9000109.8Y67 F422 Y426 L431 V434 A513 I514 H517Y67-F424 HydrophobicContact CE1-CB 4.5Å; Y67-F424 WeakPolarHBondContact CE1-O 3.1Å; Y67-F424 HydrophobicContact CE2-CB 4.43Å; Y67-F424 HydrophobicContact CE2-CD2 4.02Å; Y67-F424 PolarHBondContact OH-N 2.75Å; Y67-F424 PolarHBondContact OH-O 2.82Å; F422-F424 HydrophobicContact CB-CE2 4.1Å; F422-F424 HydrophobicContact CB-CZ 3.92Å; F424-Y426 HydrophobicContact CB-CD2 4.46Å; F424-Y426 HydrophobicContact CB-CE2 3.88Å; F424-L431 HydrophobicContact CB-CD1 3.88Å; F424-L431 HydrophobicContact CD1-CD1 4.39Å; F424-V434 HydrophobicContact CD1-CG1 4.32Å; F424-V434 HydrophobicContact CD1-CG2 3.74Å; F424-V434 HydrophobicContact CE1-CG1 4.17Å; F424-V434 HydrophobicContact CE1-CG2 4.13Å; F424-A513 HydrophobicContact CZ-CB 4.37Å; F424-I514 HydrophobicContact CE1-CG1 4.23Å; F424-H517 HydrophobicContact CD1-CB 4.22Å; F424-H517 AromaticContact CD1-CD2 3.75Å; F424-H517 HydrophobicContact CD2-CB 4.16Å; F424-H517 AromaticContact CD2-CD2 3.84Å; F424-H517 AromaticContact CD2-CE1 3.95Å; F424-H517 AromaticContact CD2-CG 3.64Å; F424-H517 AromaticContact CD2-ND1 3.76Å; F424-H517 HydrophobicContact CE1-CB 3.69Å; F424-H517 HydrophobicContact CE2-CB 3.62Å; F424-H517 AromaticContact CE2-CG 3.6Å; F424-H517 AromaticContact CE2-ND1 3.85Å; F424-H517 HydrophobicContact CG-CB 4.45Å; F424-H517 AromaticContact CG-CD2 3.62Å; F424-H517 AromaticContact CG-CG 3.88Å; F424-H517 AromaticContact CG-NE2 3.9Å; F424-H517 HydrophobicContact CZ-CB 3.37Å; F424-H517 AromaticContact CZ-CG 3.81Å
425H98.4Very high96.4Very high5 Ų529.6 Ų29.62%0.02317%0.166CC..EExtended strand (participates in β ladder)trans-115.6116.7-175.5-56-66.9000110.8G351 I357 H432 T433G351-H425 WeakPolarHBondContact O-CB 3.05Å; I357-H425 VanDerWaalsContact CD1-CE1 3.44Å; I357-H425 WeakPolarHBondContact CD1-CE1 3.31Å; I357-H425 WeakPolarHBondContact CD1-ND1 3.46Å; H425-H432 PolarHBondContact O-N 3.48Å; H425-T433 PolarHBondContact N-O 3.48Å; H425-T433 PolarHBondContact O-N 2.97Å
426Y97.5Very high96.6Very high13 Ų1329.5 Ų29.55%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-103.6144.7-175.7-73.5-97.3000111.5I69 F424 Y430 L431 H517I69-Y426 HydrophobicContact CD1-CD1 4.23Å; I69-Y426 HydrophobicContact CD1-CE1 3.62Å; I69-Y426 HydrophobicContact CG2-CE2 4.44Å; F424-Y426 HydrophobicContact CB-CD2 4.46Å; F424-Y426 HydrophobicContact CB-CE2 3.88Å; Y426-Y430 CarbonylContact C-O 3.53Å; Y426-Y430 VanDerWaalsContact CA-O 3.31Å; Y426-Y430 WeakPolarHBondContact CA-O 3.32Å; Y426-L431 HydrophobicContact CD1-CB 4.22Å; Y426-L431 HydrophobicContact CD2-CD1 4.14Å; Y426-L431 HydrophobicContact CE1-CB 3.9Å; Y426-L431 HydrophobicContact CE1-CD1 4.24Å; Y426-L431 HydrophobicContact CE2-CD1 3.84Å; Y426-L431 HydrophobicContact CG-CD1 4.47Å; Y426-H517 AromaticContact CE2-NE2 3.73Å; Y426-H517 AromaticContact CZ-NE2 3.71Å; Y426-H517 PolarHBondContact OH-CD2 3.46Å; Y426-H517 PolarHBondContact OH-NE2 3.4Å
427C95.8Very high96.8Very high2 Ų225 Ų251%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-112.5105.1162.6-166.80000107.8G349 G429 Y430 H432 C470G349-C427 PolarHBondContact O-SG 3.36Å; C427-G429 PolarHBondContact O-N 3.21Å; C427-Y430 PolarHBondContact N-O 3.07Å; C427-Y430 WeakPolarHBondContact O-CB 3.29Å; C427-Y430 WeakPolarHBondContact O-CD2 3.18Å; C427-Y430 PolarHBondContact O-N 2.87Å; C427-H432 WeakPolarHBondContact CB-CE1 3.42Å; C427-H432 WeakPolarHBondContact CB-ND1 3.47Å; C427-H432 WeakPolarHBondContact CB-NE2 3.39Å; C427-C470 VanDerWaalsContact CA-SG 3.6Å; C427-C470 HydrophobicContact CB-CB 3.65Å; C427-C470 WeakPolarHBondContact CB-SG 3.31Å; C427-C470 WeakPolarHBondContact O-CB 3.37Å; C427-C470 PolarHBondContact O-SG 3.5Å; C427-C470 VanDerWaalsContact O-SG 3.41Å; C427-C470 WeakPolarHBondContact SG-CA 3.14Å; C427-C470 WeakPolarHBondContact SG-CB 3.47Å; C427-C470 CovalentContact SG-SG 2.03Å; C427-C470 PolarHBondContact SG-SG 3.07Å
428G92.9Very high96.8Very high18 Ų1823.9 Ų23.919%0.18612%0.122CC..THydrogen-bonded Turntrans58.3-132.2-167.300000110.6V74 S75 Y430V74-G428 WeakPolarHBondContact CG1-O 3.34Å; S75-G428 CarbonylContact O-C 3.55Å; G428-Y430 VanDerWaalsContact C-N 3.28Å; G428-Y430 PolarHBondContact O-N 3.17Å
429G94.1Very high96.5Very high26 Ų2626.7 Ų26.727%0.26813%0.134SC..THydrogen-bonded Turntrans-80-0.1174.200000115.3S75 C427S75-G429 PolarHBondContact O-N 2.65Å; C427-G429 PolarHBondContact O-N 3.21Å
430Y96.2Very high96.1Very high82 Ų8229.6 Ų29.632%0.32215%0.15SC..EExtended strand (participates in β ladder)trans-100.8124.7-172.1-54.7-87.9000110.8P76 Y426 C427 G428 H432 C470 S471P76-Y430 PolarHBondContact O-OH 2.66Å; Y426-Y430 CarbonylContact C-O 3.53Å; Y426-Y430 VanDerWaalsContact CA-O 3.31Å; Y426-Y430 WeakPolarHBondContact CA-O 3.32Å; C427-Y430 PolarHBondContact N-O 3.07Å; C427-Y430 WeakPolarHBondContact O-CB 3.29Å; C427-Y430 WeakPolarHBondContact O-CD2 3.18Å; C427-Y430 PolarHBondContact O-N 2.87Å; G428-Y430 VanDerWaalsContact C-N 3.28Å; G428-Y430 PolarHBondContact O-N 3.17Å; Y430-H432 PolarHBondContact O-N 3.38Å; Y430-C470 HydrophobicContact CD2-CB 3.92Å; Y430-S471 VanDerWaalsContact CZ-OG 3.3Å; Y430-S471 PolarHBondContact OH-OG 3.13Å
431L97.3Very high95.5Very high22 Ų2233 Ų3312%0.11517%0.174CC..EExtended strand (participates in β ladder)trans-73.3113.1172.3-178.369.4000108.6F424 Y426 V434 I514F424-L431 HydrophobicContact CB-CD1 3.88Å; F424-L431 HydrophobicContact CD1-CD1 4.39Å; Y426-L431 HydrophobicContact CD1-CB 4.22Å; Y426-L431 HydrophobicContact CD2-CD1 4.14Å; Y426-L431 HydrophobicContact CE1-CB 3.9Å; Y426-L431 HydrophobicContact CE1-CD1 4.24Å; Y426-L431 HydrophobicContact CE2-CD1 3.84Å; Y426-L431 HydrophobicContact CG-CD1 4.47Å; L431-V434 HydrophobicContact CD1-CG2 4.45Å; L431-V434 HydrophobicContact CD2-CG2 4.21Å; L431-I514 HydrophobicContact CD2-CD1 4.13Å; L431-I514 HydrophobicContact CD2-CG1 3.99Å; L431-I514 HydrophobicContact CD2-CG2 3.84Å
432H97.6Very high95Very high1 Ų132 Ų321%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-92.5-41.7179.7-83.2-155.5000111.4H425 C427 Y430 Y449 V450 C470H425-H432 PolarHBondContact O-N 3.48Å; C427-H432 WeakPolarHBondContact CB-CE1 3.42Å; C427-H432 WeakPolarHBondContact CB-ND1 3.47Å; C427-H432 WeakPolarHBondContact CB-NE2 3.39Å; Y430-H432 PolarHBondContact O-N 3.38Å; H432-Y449 PolarHBondContact O-N 3.44Å; H432-V450 PolarHBondContact O-N 2.86Å; H432-C470 PolarHBondContact CE1-O 2.93Å; H432-C470 PolarHBondContact NE2-O 3.31Å
433T98.1Very high94.8Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-146.4149.3-166.1-45.30000111.4G352 H425 K446 A447 H448G352-T433 WeakPolarHBondContact CA-OG1 2.96Å; G352-T433 PolarHBondContact O-OG1 2.71Å; H425-T433 PolarHBondContact N-O 3.48Å; H425-T433 PolarHBondContact O-N 2.97Å; T433-K446 HydrophobicContact CG2-CD 4.06Å; T433-K446 VanDerWaalsContact CG2-CE 3.49Å; T433-K446 HydrophobicContact CG2-CG 3.37Å; T433-A447 VanDerWaalsContact CA-O 3.23Å; T433-A447 WeakPolarHBondContact CA-O 3.48Å; T433-A447 WeakPolarHBondContact CG2-O 3.46Å; T433-H448 PolarHBondContact OG1-ND1 2.76Å; T433-H448 VanDerWaalsContact OG1-ND1 3.16Å
434V98.4Very high94.8Very high0 Ų031.1 Ų31.10%018%0.177CC..EExtended strand (participates in β ladder)trans-122.3134.1168.6177.20000109.6F422 F424 L431 K446 A447 Y449 M510 I514F422-V434 HydrophobicContact CD1-CG1 4.1Å; F424-V434 HydrophobicContact CD1-CG1 4.32Å; F424-V434 HydrophobicContact CD1-CG2 3.74Å; F424-V434 HydrophobicContact CE1-CG1 4.17Å; F424-V434 HydrophobicContact CE1-CG2 4.13Å; L431-V434 HydrophobicContact CD1-CG2 4.45Å; L431-V434 HydrophobicContact CD2-CG2 4.21Å; V434-K446 CarbonylContact O-C 3.5Å; V434-K446 WeakPolarHBondContact O-CA 3.33Å; V434-A447 PolarHBondContact N-O 3.2Å; V434-A447 PolarHBondContact O-N 2.78Å; V434-Y449 HydrophobicContact CG2-CE2 4.23Å; V434-M510 HydrophobicContact CG1-CB 4.39Å; V434-M510 HydrophobicContact CG1-CG 4.3Å; V434-I514 HydrophobicContact CB-CD1 4.49Å; V434-I514 HydrophobicContact CG2-CD1 3.55Å; V434-I514 HydrophobicContact CG2-CG1 3.46Å; V434-I514 VanDerWaalsContact CG2-CG1 3.46Å
435R98.4Very high94.8Very high2 Ų230.7 Ų30.71%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-104.8134.5170.5-179.7-176.8-65.8-169.44.7109.2L49 E354 F422 L423 V444 W445L49-R435 VanDerWaalsContact CD1-CZ 3.44Å; L49-R435 VanDerWaalsContact CD2-NH1 3.35Å; L49-R435 VanDerWaalsContact CD2-NH2 3.33Å; E354-R435 IonicContact OE1-CZ 3.44Å; E354-R435 IonicContact OE1-NH2 3.95Å; E354-R435 PolarHBondContact OE1-NH2 3.37Å; E354-R435 IonicContact OE2-CZ 2.87Å; E354-R435 IonicContact OE2-NH2 2.73Å; E354-R435 PolarHBondContact OE2-NH2 3.3Å; F422-R435 WeakPolarHBondContact CA-O 3.48Å; L423-R435 HydrophobicContact CB-CB 4.24Å; L423-R435 PolarHBondContact N-O 3.18Å; L423-R435 PolarHBondContact O-N 3.17Å; R435-V444 HydrophobicContact CG-CG1 3.59Å; R435-W445 CarbonylContact C-O 3.42Å; R435-W445 VanDerWaalsContact CA-O 3.3Å; R435-W445 WeakPolarHBondContact CA-O 3.03Å
436W98.3Very high94.8Very high27 Ų2730.4 Ų30.410%0.10217%0.173CC..EExtended strand (participates in β ladder)trans-124119.6173.5178.631.8000109.5E421 F422 Q438 W445 V506 K509 M510E421-W436 CarbonylContact O-C 3.58Å; E421-W436 WeakPolarHBondContact O-CA 3.23Å; E421-W436 PolarHBondContact OE1-NE1 2.79Å; F422-W436 HydrophobicContact CD1-CB 3.84Å; F422-W436 AromaticContact CD1-CD1 3.89Å; F422-W436 HydrophobicContact CD1-CG 4.02Å; F422-W436 HydrophobicContact CE1-CB 3.53Å; F422-W436 AromaticContact CE1-CD1 3.34Å; F422-W436 HydrophobicContact CE1-CD2 4.06Å; F422-W436 AromaticContact CE1-CG 3.34Å; F422-W436 HydrophobicContact CE1-CG 3.34Å; F422-W436 AromaticContact CE2-CD1 3.8Å; F422-W436 AromaticContact CE2-NE1 3.96Å; F422-W436 HydrophobicContact CZ-CB 4.33Å; F422-W436 AromaticContact CZ-CD1 3.26Å; F422-W436 HydrophobicContact CZ-CD2 4.08Å; F422-W436 AromaticContact CZ-CG 3.65Å; F422-W436 HydrophobicContact CZ-CG 3.65Å; F422-W436 AromaticContact CZ-NE1 3.49Å; W436-Q438 HydrophobicContact CZ2-CB 4.37Å; W436-Q438 HydrophobicContact CZ2-CG 4.27Å; W436-W445 HydrophobicContact CB-CB 4.36Å; W436-W445 AromaticContact CE3-CD1 3.67Å; W436-W445 HydrophobicContact CE3-CG 4.34Å; W436-W445 PolarHBondContact N-O 2.85Å; W436-W445 PolarHBondContact O-N 3.26Å; W436-V506 HydrophobicContact CE3-CG1 4.11Å; W436-V506 HydrophobicContact CZ3-CB 4.32Å; W436-V506 HydrophobicContact CZ3-CG1 4.27Å; W436-V506 HydrophobicContact CZ3-CG2 4.05Å; W436-K509 HydrophobicContact CD2-CG 4.21Å; W436-K509 HydrophobicContact CE3-CB 4.45Å; W436-K509 HydrophobicContact CE3-CG 4.17Å; W436-K509 HydrophobicContact CH2-CB 4.25Å; W436-K509 HydrophobicContact CH2-CG 3.79Å; W436-K509 HydrophobicContact CZ2-CD 4.41Å; W436-K509 HydrophobicContact CZ2-CG 3.79Å; W436-K509 HydrophobicContact CZ3-CB 4.09Å; W436-K509 HydrophobicContact CZ3-CG 3.96Å; W436-M510 HydrophobicContact CB-CE 3.51Å; W436-M510 HydrophobicContact CB-CG 4.19Å
437H97.2Very high94.8Very high5 Ų529.8 Ų29.82%0.02317%0.171CC..EExtended strand (participates in β ladder)trans-96.8108.7173.6179.6-138.8000109.8E377 P378 E421 K439E377-H437 VanDerWaalsContact CD-CE1 3.44Å; E377-H437 IonicContact OE1-CE1 3.59Å; E377-H437 PolarHBondContact OE1-CE1 3.35Å; E377-H437 VanDerWaalsContact OE1-CE1 3.25Å; E377-H437 IonicContact OE1-NE2 3.73Å; E377-H437 IonicContact OE2-CE1 3.68Å; E377-H437 PolarHBondContact OE2-CE1 3.33Å; E377-H437 IonicContact OE2-ND1 2.64Å; E377-H437 PolarHBondContact OE2-ND1 2.79Å; P378-H437 HydrophobicContact CG-CB 3.77Å; E421-H437 PolarHBondContact O-N 3.16Å; H437-K439 PolarHBondContact O-N 3.03Å
438Q94.3Very high94.9Very high48 Ų4829.7 Ų29.722%0.22417%0.17CC..EExtended strand (participates in β ladder)trans-87.892.1177.4-172.7175.85.300109.3W436 D440 C441 A442 T443W436-Q438 HydrophobicContact CZ2-CB 4.37Å; W436-Q438 HydrophobicContact CZ2-CG 4.27Å; Q438-D440 VanDerWaalsContact C-N 3.26Å; Q438-D440 PolarHBondContact O-N 3.04Å; Q438-C441 PolarHBondContact O-N 3.41Å; Q438-C441 VanDerWaalsContact O-N 3.11Å; Q438-A442 PolarHBondContact O-N 2.99Å; Q438-T443 PolarHBondContact N-O 2.94Å; Q438-T443 PolarHBondContact O-N 3.29Å
439K88.1Confident95.2Very high64 Ų6431 Ų3128%0.27817%0.17SC..G310 helixtrans-53.6-39.5-171.7-59.2-174.7-172.6-1700113.5H417 S418 H437 C441 A442H417-K439 HydrophobicContact CB-CD 3.96Å; H417-K439 HydrophobicContact CB-CG 4.37Å; S418-K439 WeakPolarHBondContact O-CE 3.39Å; S418-K439 PolarHBondContact O-NZ 3.16Å; H437-K439 PolarHBondContact O-N 3.03Å; K439-C441 PolarHBondContact O-N 3.28Å; K439-A442 PolarHBondContact O-N 3.23Å
440D86.1Confident95.3Very high157 Ų15730.3 Ų30.384%0.8416%0.161SC*.G310 helixtrans-63.4-27.2-176.8-58-34.5000113.7Q438Q438-D440 VanDerWaalsContact C-N 3.26Å; Q438-D440 PolarHBondContact O-N 3.04Å
441C84.8Confident95.4Very high80 Ų8026.8 Ų26.854%0.54115%0.147SC..G310 helixtrans-117.10.3-177.3-57.30000113Q438 K439 T443Q438-C441 PolarHBondContact O-N 3.41Å; Q438-C441 VanDerWaalsContact O-N 3.11Å; K439-C441 PolarHBondContact O-N 3.28Å; C441-T443 PolarHBondContact O-N 3.2Å; C441-T443 PolarHBondContact O-OG1 2.73Å
442A85.9Confident95.3Very high57 Ų5726 Ų2647%0.47114%0.144SC..THydrogen-bonded Turntrans51.920.6-171.200000114.2Q438 K439Q438-A442 PolarHBondContact O-N 2.99Å; K439-A442 PolarHBondContact O-N 3.23Å
443T95.1Very high95.1Very high22 Ų2230.6 Ų30.614%0.13516%0.164CC..EExtended strand (participates in β ladder)trans-83135.8178.7-50.80000109.6Q438 C441 W445 D484Q438-T443 PolarHBondContact N-O 2.94Å; Q438-T443 PolarHBondContact O-N 3.29Å; C441-T443 PolarHBondContact O-N 3.2Å; C441-T443 PolarHBondContact O-OG1 2.73Å; T443-W445 HydrophobicContact CG2-CD2 3.9Å; T443-W445 VanDerWaalsContact CG2-CE2 3.41Å; T443-W445 HydrophobicContact CG2-CE3 4.48Å; T443-W445 HydrophobicContact CG2-CG 4.33Å; T443-W445 HydrophobicContact CG2-CH2 4.25Å; T443-W445 HydrophobicContact CG2-CZ2 3.63Å; T443-D484 WeakPolarHBondContact CG2-OD1 3.41Å
444V97.4Very high95Very high5 Ų532.5 Ų32.53%0.0317%0.172CC..EExtended strand (participates in β ladder)trans-116.496.1177.9-175.70000109R435 I485R435-V444 HydrophobicContact CG-CG1 3.59Å; V444-I485 HydrophobicContact CB-CB 4.27Å; V444-I485 HydrophobicContact CG1-CB 4.19Å; V444-I485 WeakPolarHBondContact O-CB 3.01Å; V444-I485 PolarHBondContact O-N 3.47Å
445W98.2Very high94.6Very high8 Ų840 Ų403%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-78.4143.6176.2-59.9109.4000110.8R435 W436 T443 L482 F483 D484 L495 E500 L502 V506 M510R435-W445 CarbonylContact C-O 3.42Å; R435-W445 VanDerWaalsContact CA-O 3.3Å; R435-W445 WeakPolarHBondContact CA-O 3.03Å; W436-W445 HydrophobicContact CB-CB 4.36Å; W436-W445 AromaticContact CE3-CD1 3.67Å; W436-W445 HydrophobicContact CE3-CG 4.34Å; W436-W445 PolarHBondContact N-O 2.85Å; W436-W445 PolarHBondContact O-N 3.26Å; T443-W445 HydrophobicContact CG2-CD2 3.9Å; T443-W445 VanDerWaalsContact CG2-CE2 3.41Å; T443-W445 HydrophobicContact CG2-CE3 4.48Å; T443-W445 HydrophobicContact CG2-CG 4.33Å; T443-W445 HydrophobicContact CG2-CH2 4.25Å; T443-W445 HydrophobicContact CG2-CZ2 3.63Å; W445-L482 HydrophobicContact CB-CD1 4.35Å; W445-L482 HydrophobicContact CE3-CD1 4.16Å; W445-L482 HydrophobicContact CE3-CD2 4.19Å; W445-L482 HydrophobicContact CE3-CG 4.2Å; W445-L482 HydrophobicContact CZ3-CD2 4.33Å; W445-F483 CarbonylContact C-O 3.4Å; W445-F483 WeakPolarHBondContact CA-O 3.39Å; W445-D484 HydrophobicContact CE3-CB 4.12Å; W445-D484 HydrophobicContact CZ3-CB 3.88Å; W445-L495 HydrophobicContact CE3-CD1 4.36Å; W445-L495 HydrophobicContact CH2-CD1 4.45Å; W445-L495 HydrophobicContact CZ3-CD1 3.54Å; W445-E500 HydrophobicContact CH2-CG 4.18Å; W445-E500 HydrophobicContact CZ3-CG 4.34Å; W445-L502 HydrophobicContact CZ2-CD1 4.4Å; W445-V506 HydrophobicContact CB-CG1 3.9Å; W445-V506 HydrophobicContact CD2-CG1 3.99Å; W445-V506 HydrophobicContact CD2-CG2 4.07Å; W445-V506 HydrophobicContact CE3-CG1 4.4Å; W445-V506 HydrophobicContact CG-CG1 3.76Å; W445-V506 HydrophobicContact CG-CG2 4.35Å; W445-V506 HydrophobicContact CZ2-CG2 4.18Å; W445-M510 VanDerWaalsContact C-CE 3.5Å; W445-M510 HydrophobicContact CB-CE 3.31Å; W445-M510 WeakPolarHBondContact O-CE 3.5Å
446K98.5Very high94.4Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-141.2117.4175-171.4173.9169.2-161.10110.6G352 E354 T433 V434 F483 I485 E491G352-K446 WeakPolarHBondContact O-CE 3.13Å; G352-K446 PolarHBondContact O-NZ 3.07Å; E354-K446 WeakPolarHBondContact OE1-CE 3.25Å; E354-K446 IonicContact OE1-NZ 3.92Å; E354-K446 PolarHBondContact OE1-NZ 3.04Å; T433-K446 HydrophobicContact CG2-CD 4.06Å; T433-K446 VanDerWaalsContact CG2-CE 3.49Å; T433-K446 HydrophobicContact CG2-CG 3.37Å; V434-K446 CarbonylContact O-C 3.5Å; V434-K446 WeakPolarHBondContact O-CA 3.33Å; K446-F483 PolarHBondContact N-O 2.68Å; K446-F483 PolarHBondContact O-N 3.34Å; K446-I485 HydrophobicContact CB-CD1 3.88Å; K446-I485 HydrophobicContact CB-CG1 3.49Å; K446-I485 VanDerWaalsContact CB-CG1 3.49Å; K446-I485 HydrophobicContact CD-CD1 3.81Å; K446-I485 HydrophobicContact CD-CG1 3.84Å; K446-I485 HydrophobicContact CG-CD1 4.46Å; K446-I485 HydrophobicContact CG-CG1 4.32Å; K446-E491 VanDerWaalsContact CD-OE1 3.26Å; K446-E491 WeakPolarHBondContact CD-OE1 3.42Å; K446-E491 WeakPolarHBondContact CE-OE1 3.27Å; K446-E491 IonicContact NZ-OE1 2.87Å; K446-E491 PolarHBondContact NZ-OE1 3.41Å; K446-E491 IonicContact NZ-OE2 3.46Å; K446-E491 PolarHBondContact NZ-OE2 2.8Å
447A98.6Very high94Very high0 Ų050.5 Ų50.50%026%0.257CS..EExtended strand (participates in β ladder)trans-108123.1179.700000111.3T433 V434 Y449 P480 L481 L482 I507 M510T433-A447 VanDerWaalsContact CA-O 3.23Å; T433-A447 WeakPolarHBondContact CA-O 3.48Å; T433-A447 WeakPolarHBondContact CG2-O 3.46Å; V434-A447 PolarHBondContact N-O 3.2Å; V434-A447 PolarHBondContact O-N 2.78Å; A447-Y449 HydrophobicContact CB-CE2 4.37Å; A447-P480 HydrophobicContact CB-CB 4.3Å; A447-P480 HydrophobicContact CB-CG 4.43Å; A447-L481 CarbonylContact C-O 3.01Å; A447-L481 VanDerWaalsContact CA-O 3.29Å; A447-L481 WeakPolarHBondContact CA-O 3.41Å; A447-L482 HydrophobicContact CB-CD1 4.23Å; A447-I507 HydrophobicContact CB-CD1 3.93Å; A447-M510 HydrophobicContact CB-CE 4.38Å; A447-M510 HydrophobicContact CB-SD 3.34Å; A447-M510 WeakPolarHBondContact CB-SD 3.31Å
448H98.4Very high93.5Very high0 Ų053.8 Ų53.80%029%0.293CS..EExtended strand (participates in β ladder)trans-98.7118.8175.2-64.9-110.3000110.5G352 W353 T433 T451 P480 L481 F483 E491G352-H448 PolarHBondContact O-CE1 2.99Å; W353-H448 AromaticContact CD2-CE1 3.83Å; W353-H448 AromaticContact CE3-CE1 3.48Å; W353-H448 VanDerWaalsContact CE3-CE1 3.48Å; W353-H448 AromaticContact CE3-NE2 3.91Å; W353-H448 AromaticContact CZ3-CE1 3.66Å; W353-H448 AromaticContact CZ3-NE2 3.77Å; T433-H448 PolarHBondContact OG1-ND1 2.76Å; T433-H448 VanDerWaalsContact OG1-ND1 3.16Å; H448-T451 HydrophobicContact CB-CG2 3.96Å; H448-P480 WeakPolarHBondContact O-CA 3.22Å; H448-P480 VanDerWaalsContact O-CB 3.3Å; H448-P480 WeakPolarHBondContact O-CB 3.44Å; H448-L481 HydrophobicContact CB-CB 4.26Å; H448-L481 PolarHBondContact N-O 2.03Å; H448-L481 PolarHBondContact O-N 3.5Å; H448-F483 AromaticContact CD2-CD2 3.63Å; H448-F483 AromaticContact CD2-CE2 3.57Å; H448-F483 AromaticContact NE2-CD2 3.93Å; H448-F483 AromaticContact NE2-CE2 3.93Å; H448-E491 IonicContact CD2-OE1 3.48Å; H448-E491 IonicContact CE1-OE1 3.06Å; H448-E491 PolarHBondContact CE1-OE1 3.38Å; H448-E491 IonicContact NE2-OE1 3.07Å; H448-E491 PolarHBondContact NE2-OE1 2.96Å
449Y97.9Very high93.3Very high45 Ų4554.5 Ų54.518%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-89.1-26.4173.3-61.8-86.4000111.6H432 V434 A447 H477 P480 I514H432-Y449 PolarHBondContact O-N 3.44Å; V434-Y449 HydrophobicContact CG2-CE2 4.23Å; A447-Y449 HydrophobicContact CB-CE2 4.37Å; Y449-H477 PolarHBondContact O-N 3.44Å; Y449-P480 HydrophobicContact CD1-CB 3.8Å; Y449-P480 HydrophobicContact CD1-CG 4.23Å; Y449-P480 HydrophobicContact CE1-CB 3.85Å; Y449-P480 HydrophobicContact CE1-CG 3.8Å; Y449-P480 HydrophobicContact CG-CB 4.27Å; Y449-I514 HydrophobicContact CD2-CD1 4.41Å; Y449-I514 HydrophobicContact CE1-CD1 4.42Å; Y449-I514 HydrophobicContact CE2-CD1 3.47Å; Y449-I514 VanDerWaalsContact CE2-CD1 3.47Å; Y449-I514 VanDerWaalsContact CZ-CD1 3.47Å; Y449-I514 VanDerWaalsContact OH-CD1 3.25Å; Y449-I514 WeakPolarHBondContact OH-CD1 3.46Å
450V97.4Very high93.5Very high12 Ų1251.9 Ų51.97%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-141.1133.6-179.3-172.30000108.9H432 V474 I475 Y476H432-V450 PolarHBondContact O-N 2.86Å; V450-V474 HydrophobicContact CG1-CB 3.76Å; V450-V474 HydrophobicContact CG1-CG1 4.28Å; V450-V474 HydrophobicContact CG1-CG2 3.64Å; V450-I475 CarbonylContact C-O 3.55Å; V450-I475 WeakPolarHBondContact CA-O 3.43Å; V450-Y476 HydrophobicContact CG1-CD1 4.5Å; V450-Y476 HydrophobicContact CG1-CE1 4.38Å; V450-Y476 HydrophobicContact CG2-CD1 3.67Å; V450-Y476 HydrophobicContact CG2-CE1 3.77Å
451T96.8Very high93.8Very high7 Ų744.4 Ų44.44%0.04325%0.252CS..EExtended strand (participates in β ladder)trans-126.4145.8171.159.60000111W353 H448 V474 I475 H477 L481W353-T451 HydrophobicContact CH2-CG2 4.17Å; W353-T451 HydrophobicContact CZ2-CG2 3.57Å; H448-T451 HydrophobicContact CB-CG2 3.96Å; T451-V474 WeakPolarHBondContact O-CB 3.36Å; T451-I475 PolarHBondContact N-O 3.48Å; T451-I475 PolarHBondContact O-N 2.97Å; T451-H477 WeakPolarHBondContact CG2-NE2 3.48Å; T451-H477 PolarHBondContact OG1-NE2 2.82Å; T451-L481 HydrophobicContact CG2-CD1 4.26Å
452P95.4Very high94.2Very high7 Ų740.9 Ų40.95%0.04523%0.228CC..EExtended strand (participates in β ladder)trans-64155.6170.929.7-36.6000111.3F454 C468P452-F454 HydrophobicContact CG-CD1 4.29Å; P452-F454 HydrophobicContact CG-CE1 3.7Å; P452-F454 HydrophobicContact CG-CZ 4.27Å; P452-C468 HydrophobicContact CB-CB 3.62Å; P452-C468 HydrophobicContact CG-CB 4.27Å
453K94.3Very high94.4Very high96 Ų9641.1 Ų41.142%0.41722%0.217SC..  trans-85.8110.3167-67.6-177.1-165.71640109.1C462 D473 V474 I475K453-C462 PolarHBondContact O-SG 3.06Å; K453-D473 VanDerWaalsContact CD-OD1 3.31Å; K453-D473 WeakPolarHBondContact CD-OD1 3.39Å; K453-D473 WeakPolarHBondContact CE-OD1 3.06Å; K453-D473 IonicContact NZ-OD1 2.77Å; K453-D473 PolarHBondContact NZ-OD1 2.9Å; K453-V474 VanDerWaalsContact CE-O 3.31Å; K453-V474 WeakPolarHBondContact CE-O 3.45Å; K453-I475 HydrophobicContact CD-CG1 4.45Å; K453-I475 HydrophobicContact CG-CD1 4.09Å; K453-I475 HydrophobicContact CG-CG1 3.64Å
454F94.7Very high93.9Very high40 Ų4042.9 Ų42.918%0.17524%0.24CC..  trans-70.3144.7176.5-63.6-39.5000111.6K345 M350 W353 P452 G460 A461K345-F454 HydrophobicContact CD-CE2 4.12Å; K345-F454 HydrophobicContact CD-CZ 4.46Å; K345-F454 HydrophobicContact CG-CE2 4.27Å; K345-F454 HydrophobicContact CG-CZ 4.27Å; M350-F454 HydrophobicContact SD-CE1 3.72Å; M350-F454 HydrophobicContact SD-CZ 4.39Å; W353-F454 AromaticContact CD1-CZ 3.61Å; W353-F454 AromaticContact CE2-CZ 3.91Å; W353-F454 HydrophobicContact CG-CZ 4.41Å; W353-F454 HydrophobicContact CZ2-CE2 4.45Å; W353-F454 AromaticContact NE1-CE1 3.97Å; W353-F454 AromaticContact NE1-CE2 3.97Å; W353-F454 AromaticContact NE1-CZ 3.25Å; P452-F454 HydrophobicContact CG-CD1 4.29Å; P452-F454 HydrophobicContact CG-CE1 3.7Å; P452-F454 HydrophobicContact CG-CZ 4.27Å; F454-G460 VanDerWaalsContact CE1-C 3.45Å; F454-G460 VanDerWaalsContact CE1-O 3.32Å; F454-G460 WeakPolarHBondContact CE1-O 3.49Å; F454-A461 WeakPolarHBondContact CA-O 3.39Å; F454-A461 WeakPolarHBondContact CB-O 3.48Å
455Y91.5Very high93Very high159 Ų15946.5 Ų46.562%0.62427%0.265SS*.BIsolated β-bridgetrans-142.9124.4176.8-176.9-95.4000110.3A461 Y463Y455-A461 PolarHBondContact N-O 3.24Å; Y455-Y463 WeakPolarHBondContact CD1-O 3.43Å; Y455-Y463 WeakPolarHBondContact O-CB 3.16Å; Y455-Y463 PolarHBondContact O-N 3.15Å
456P92.8Very high92.2Very high64 Ų6448 Ų4842%0.41628%0.282SS..SBendcis-58.2159.2-11.5-23.133.3000113T459P456-T459 HydrophobicContact CB-CG2 3.9Å; P456-T459 HydrophobicContact CG-CG2 4.24Å; P456-T459 WeakPolarHBondContact O-CB 3.43Å; P456-T459 VanDerWaalsContact O-CG2 3.3Å; P456-T459 WeakPolarHBondContact O-CG2 3.32Å; P456-T459 PolarHBondContact O-N 2.8Å; P456-T459 PolarHBondContact O-OG1 3.03Å
457E90.5Very high91.8Very high185 Ų18550.1 Ų50.186%0.86429%0.293SS*.THydrogen-bonded Turntrans-58.3143.9179.1-168.7174.8-175.300111.1T459E457-T459 PolarHBondContact O-N 3.34Å
458G86.9Confident91.5Very high74 Ų7450.1 Ų50.176%0.76329%0.294SS*.THydrogen-bonded Turntrans77.7-7.8-179.700000115.8G460G458-G460 PolarHBondContact O-N 3.14Å
459T89.8Confident91.2Very high62 Ų6251.9 Ų51.938%0.3831%0.306SS..SBendtrans-78.8-15.2-176.262.30000115.1P456 E457 A461P456-T459 HydrophobicContact CB-CG2 3.9Å; P456-T459 HydrophobicContact CG-CG2 4.24Å; P456-T459 WeakPolarHBondContact O-CB 3.43Å; P456-T459 VanDerWaalsContact O-CG2 3.3Å; P456-T459 WeakPolarHBondContact O-CG2 3.32Å; P456-T459 PolarHBondContact O-N 2.8Å; P456-T459 PolarHBondContact O-OG1 3.03Å; E457-T459 PolarHBondContact O-N 3.34Å; T459-A461 VanDerWaalsContact C-N 3.25Å; T459-A461 PolarHBondContact O-N 2.9Å; T459-A461 PolarHBondContact OG1-O 2.95Å
460G91.6Very high91Very high10 Ų1049.8 Ų49.810%0.10330%0.298CS..SBendtrans76.26.7-176.900000114.9G346 F454 G458G346-G460 WeakPolarHBondContact CA-O 3.39Å; F454-G460 VanDerWaalsContact CE1-C 3.45Å; F454-G460 VanDerWaalsContact CE1-O 3.32Å; F454-G460 WeakPolarHBondContact CE1-O 3.49Å; G458-G460 PolarHBondContact O-N 3.14Å
461A93.6Very high90.8Very high0 Ų050 Ų500%030%0.3CS..SBendtrans-144.1172.2179.600000112.8L328 E329 M350 F454 Y455 T459 Y463L328-A461 HydrophobicContact CB-CB 3.8Å; L328-A461 HydrophobicContact CD1-CB 3.91Å; E329-A461 HydrophobicContact CG-CB 4.45Å; M350-A461 HydrophobicContact CE-CB 4.07Å; F454-A461 WeakPolarHBondContact CA-O 3.39Å; F454-A461 WeakPolarHBondContact CB-O 3.48Å; Y455-A461 PolarHBondContact N-O 3.24Å; T459-A461 VanDerWaalsContact C-N 3.25Å; T459-A461 PolarHBondContact O-N 2.9Å; T459-A461 PolarHBondContact OG1-O 2.95Å; A461-Y463 HydrophobicContact CB-CD2 4.08Å; A461-Y463 HydrophobicContact CB-CE2 3.71Å
462C93.3Very high90.6Very high5 Ų552.5 Ų52.53%0.03433%0.327CS..BIsolated β-bridgetrans-110.962178.9-610000111.8E329 K453 S465 C468E329-C462 WeakPolarHBondContact CG-O 3.29Å; E329-C462 PolarHBondContact OE1-N 3.16Å; K453-C462 PolarHBondContact O-SG 3.06Å; C462-S465 PolarHBondContact O-N 3.09Å; C462-S465 VanDerWaalsContact O-N 3.17Å; C462-C468 HydrophobicContact CB-CB 3.93Å; C462-C468 WeakPolarHBondContact CB-SG 3.39Å; C462-C468 WeakPolarHBondContact SG-CA 3.38Å; C462-C468 WeakPolarHBondContact SG-CB 3.43Å; C462-C468 CovalentContact SG-SG 2.02Å; C462-C468 PolarHBondContact SG-SG 2.78Å
463Y90.3Very high90.4Very high63 Ų6356.6 Ų56.625%0.24735%0.348CS..THydrogen-bonded Turntrans-53.9142.3179-65.9-78000111.3L328 L331 Y455 A461 S465L328-Y463 WeakPolarHBondContact O-CE1 3.32Å; L331-Y463 HydrophobicContact CD1-CD1 3.69Å; L331-Y463 HydrophobicContact CD1-CE1 3.94Å; L331-Y463 HydrophobicContact CG-CD1 4.35Å; L331-Y463 HydrophobicContact CG-CE1 4.32Å; Y455-Y463 WeakPolarHBondContact CD1-O 3.43Å; Y455-Y463 WeakPolarHBondContact O-CB 3.16Å; Y455-Y463 PolarHBondContact O-N 3.15Å; A461-Y463 HydrophobicContact CB-CD2 4.08Å; A461-Y463 HydrophobicContact CB-CE2 3.71Å; Y463-S465 PolarHBondContact O-N 2.97Å
464G83.3Confident90.4Very high59 Ų5952.4 Ų52.461%0.60833%0.331SS*.THydrogen-bonded Turntrans81.7-24.7-176.600000115.5
465S78.5Confident90.5Very high81 Ų8154 Ų5457%0.56634%0.341SS*.THydrogen-bonded Turntrans-89.8-10.6176.3-62.90000113.5C462 Y463 I467C462-S465 PolarHBondContact O-N 3.09Å; C462-S465 VanDerWaalsContact O-N 3.17Å; Y463-S465 PolarHBondContact O-N 2.97Å; S465-I467 PolarHBondContact O-N 3.06Å
466G82.4Confident90.8Very high38 Ų3853.4 Ų53.439%0.39234%0.338SS..SBendtrans81-50-17700000112.8H327 E329H327-G466 PolarHBondContact NE2-O 2.78Å; E329-G466 VanDerWaalsContact CB-O 3.22Å; E329-G466 WeakPolarHBondContact CB-O 3.49Å
467I88.8Confident91Very high45 Ų4552.1 Ų52.123%0.23133%0.326CS..SBendtrans-148.3142.1171.7-45.8-179.7000109.1M54 R81 S465M54-I467 HydrophobicContact CE-CD1 3.75Å; M54-I467 HydrophobicContact SD-CD1 3.9Å; R81-I467 VanDerWaalsContact NH2-CB 3.27Å; S465-I467 PolarHBondContact O-N 3.06Å
468C93.1Very high91.2Very high1 Ų151 Ų511%0.00733%0.327CS..  trans-57.3146.3177.1-66.60000115.1R81 M350 P452 C462R81-C468 VanDerWaalsContact CZ-O 3.25Å; R81-C468 PolarHBondContact NH1-O 3.12Å; R81-C468 PolarHBondContact NH2-O 2.81Å; M350-C468 VanDerWaalsContact CE-SG 3.56Å; M350-C468 HydrophobicContact CG-CB 4.04Å; P452-C468 HydrophobicContact CB-CB 3.62Å; P452-C468 HydrophobicContact CG-CB 4.27Å; C462-C468 HydrophobicContact CB-CB 3.93Å; C462-C468 WeakPolarHBondContact CB-SG 3.39Å; C462-C468 WeakPolarHBondContact SG-CA 3.38Å; C462-C468 WeakPolarHBondContact SG-CB 3.43Å; C462-C468 CovalentContact SG-SG 2.02Å; C462-C468 PolarHBondContact SG-SG 2.78Å
469S93.3Very high91.6Very high37 Ų3751 Ų5126%0.25931%0.313SS..  trans-67.2146.8173.6-66.10000112.9V474S469-V474 WeakPolarHBondContact O-CG1 3.43Å
470C93.9Very high91.9Very high1 Ų148.4 Ų48.41%0.00730%0.297CS..SBendtrans-94.8-25.5172-64.20000113.3N78 R81 C427 Y430 H432N78-C470 WeakPolarHBondContact OD1-CA 3.36Å; N78-C470 PolarHBondContact OD1-N 3.39Å; R81-C470 WeakPolarHBondContact CD-SG 3.45Å; R81-C470 PolarHBondContact NH1-SG 2.82Å; C427-C470 VanDerWaalsContact CA-SG 3.6Å; C427-C470 HydrophobicContact CB-CB 3.65Å; C427-C470 WeakPolarHBondContact CB-SG 3.31Å; C427-C470 WeakPolarHBondContact O-CB 3.37Å; C427-C470 PolarHBondContact O-SG 3.5Å; C427-C470 VanDerWaalsContact O-SG 3.41Å; C427-C470 WeakPolarHBondContact SG-CA 3.14Å; C427-C470 WeakPolarHBondContact SG-CB 3.47Å; C427-C470 CovalentContact SG-SG 2.03Å; C427-C470 PolarHBondContact SG-SG 3.07Å; Y430-C470 HydrophobicContact CD2-CB 3.92Å; H432-C470 PolarHBondContact CE1-O 2.93Å; H432-C470 PolarHBondContact NE2-O 3.31Å
471S93.1Very high92.2Very high16 Ų1650.3 Ų50.311%0.11231%0.305CS..SBendtrans-146.4171.2178.864.90000111.4N78 Y430 D473N78-S471 PolarHBondContact ND2-O 3.08Å; N78-S471 PolarHBondContact OD1-N 2.95Å; Y430-S471 VanDerWaalsContact CZ-OG 3.3Å; Y430-S471 PolarHBondContact OH-OG 3.13Å; S471-D473 PolarHBondContact O-N 2.8Å
472G91.1Very high92.5Very high59 Ų5950.3 Ų50.361%0.60831%0.305SS*.SBendtrans72.7-91.8-177.700000111.5V474G472-V474 PolarHBondContact O-N 3.43Å
473D90.8Very high92.7Very high93 Ų9350.3 Ų50.350%0.49730%0.304SS..SBendtrans-8066.6179.2-165.632.3000112.2K453 S471K453-D473 VanDerWaalsContact CD-OD1 3.31Å; K453-D473 WeakPolarHBondContact CD-OD1 3.39Å; K453-D473 WeakPolarHBondContact CE-OD1 3.06Å; K453-D473 IonicContact NZ-OD1 2.77Å; K453-D473 PolarHBondContact NZ-OD1 2.9Å; S471-D473 PolarHBondContact O-N 2.8Å
474V95.4Very high93Very high8 Ų847.9 Ų47.95%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-138.1173-178.6-64.50000109.4V450 T451 K453 S469 G472 Y476V450-V474 HydrophobicContact CG1-CB 3.76Å; V450-V474 HydrophobicContact CG1-CG1 4.28Å; V450-V474 HydrophobicContact CG1-CG2 3.64Å; T451-V474 WeakPolarHBondContact O-CB 3.36Å; K453-V474 VanDerWaalsContact CE-O 3.31Å; K453-V474 WeakPolarHBondContact CE-O 3.45Å; S469-V474 WeakPolarHBondContact O-CG1 3.43Å; G472-V474 PolarHBondContact O-N 3.43Å; V474-Y476 HydrophobicContact CG2-CD2 4.17Å; V474-Y476 HydrophobicContact CG2-CE1 4.42Å; V474-Y476 HydrophobicContact CG2-CE2 3.54Å
475I96.4Very high93.7Very high75 Ų7545.4 Ų45.439%0.38527%0.268SS..EExtended strand (participates in β ladder)trans-108.7127172.6-51.8174000107.5V450 T451 K453 H477V450-I475 CarbonylContact C-O 3.55Å; V450-I475 WeakPolarHBondContact CA-O 3.43Å; T451-I475 PolarHBondContact N-O 3.48Å; T451-I475 PolarHBondContact O-N 2.97Å; K453-I475 HydrophobicContact CD-CG1 4.45Å; K453-I475 HydrophobicContact CG-CD1 4.09Å; K453-I475 HydrophobicContact CG-CG1 3.64Å; I475-H477 VanDerWaalsContact CG2-CE1 3.44Å; I475-H477 WeakPolarHBondContact CG2-CE1 3.5Å
476Y97.3Very high94.5Very high145 Ų14544.4 Ų44.457%0.56926%0.261SS*.EExtended strand (participates in β ladder)trans-97.7141.3172.5-65-89.5000109.1V450 V474V450-Y476 HydrophobicContact CG1-CD1 4.5Å; V450-Y476 HydrophobicContact CG1-CE1 4.38Å; V450-Y476 HydrophobicContact CG2-CD1 3.67Å; V450-Y476 HydrophobicContact CG2-CE1 3.77Å; V474-Y476 HydrophobicContact CG2-CD2 4.17Å; V474-Y476 HydrophobicContact CG2-CE1 4.42Å; V474-Y476 HydrophobicContact CG2-CE2 3.54Å
477H97.3Very high95.1Very high37 Ų3752.7 Ų52.717%0.17128%0.281CS..EExtended strand (participates in β ladder)trans-119125.7-175.6-58.5-71.5000110.6Y449 T451 I475 P479 L481Y449-H477 PolarHBondContact O-N 3.44Å; T451-H477 WeakPolarHBondContact CG2-NE2 3.48Å; T451-H477 PolarHBondContact OG1-NE2 2.82Å; I475-H477 VanDerWaalsContact CG2-CE1 3.44Å; I475-H477 WeakPolarHBondContact CG2-CE1 3.5Å; H477-P479 CarbonylContact C-O 3.59Å; H477-L481 HydrophobicContact CB-CG 4.33Å; H477-L481 VanDerWaalsContact CE1-CD1 3.41Å; H477-L481 WeakPolarHBondContact CE1-CD1 3.33Å; H477-L481 WeakPolarHBondContact NE2-CD1 3.45Å
478D95.2Very high95.5Very high163 Ų16351.7 Ų51.787%0.87228%0.276SS*.EExtended strand (participates in β ladder)trans-145104.5173.6-17211.8000109.1
479P94.8Very high95.7Very high74 Ų7453.4 Ų53.448%0.48129%0.287SS..EExtended strand (participates in β ladder)cis-66159.6-0.230.2-36.3000112.8H477 F503H477-P479 CarbonylContact C-O 3.59Å; P479-F503 HydrophobicContact CB-CE1 3.93Å; P479-F503 HydrophobicContact CB-CZ 3.99Å; P479-F503 HydrophobicContact CG-CE1 4.26Å; P479-F503 HydrophobicContact CG-CZ 4.21Å
480P97.4Very high95.8Very high7 Ų753.5 Ų53.55%0.04529%0.288CS..EExtended strand (participates in β ladder)trans-63.3151.2178.827.6-36.3000112.3A447 H448 Y449 L482 I507A447-P480 HydrophobicContact CB-CB 4.3Å; A447-P480 HydrophobicContact CB-CG 4.43Å; H448-P480 WeakPolarHBondContact O-CA 3.22Å; H448-P480 VanDerWaalsContact O-CB 3.3Å; H448-P480 WeakPolarHBondContact O-CB 3.44Å; Y449-P480 HydrophobicContact CD1-CB 3.8Å; Y449-P480 HydrophobicContact CD1-CG 4.23Å; Y449-P480 HydrophobicContact CE1-CB 3.85Å; Y449-P480 HydrophobicContact CE1-CG 3.8Å; Y449-P480 HydrophobicContact CG-CB 4.27Å; P480-L482 PolarHBondContact O-N 3.4Å; P480-I507 HydrophobicContact CG-CD1 3.63Å; P480-I507 HydrophobicContact CG-CG1 4.15Å; P480-I507 HydrophobicContact CG-CG2 3.95Å
481L97.6Very high95.9Very high50 Ų5053.5 Ų53.526%0.26229%0.287SS..EExtended strand (participates in β ladder)trans-70.7121.2173.3-62.6176.7000109.7A447 H448 T451 H477 F483 P494A447-L481 CarbonylContact C-O 3.01Å; A447-L481 VanDerWaalsContact CA-O 3.29Å; A447-L481 WeakPolarHBondContact CA-O 3.41Å; H448-L481 HydrophobicContact CB-CB 4.26Å; H448-L481 PolarHBondContact N-O 2.03Å; H448-L481 PolarHBondContact O-N 3.5Å; T451-L481 HydrophobicContact CG2-CD1 4.26Å; H477-L481 HydrophobicContact CB-CG 4.33Å; H477-L481 VanDerWaalsContact CE1-CD1 3.41Å; H477-L481 WeakPolarHBondContact CE1-CD1 3.33Å; H477-L481 WeakPolarHBondContact NE2-CD1 3.45Å; L481-F483 HydrophobicContact CB-CE2 3.87Å; L481-F483 HydrophobicContact CB-CZ 4.43Å; L481-P494 HydrophobicContact CD2-CB 4.36Å
482L98.5Very high96Very high0 Ų055.4 Ų55.40%030%0.304CS..EExtended strand (participates in β ladder)trans-103.8139.6-179.9-175.762.6000111.2W445 A447 P480 P494 L495 F503 V506 I507 M510W445-L482 HydrophobicContact CB-CD1 4.35Å; W445-L482 HydrophobicContact CE3-CD1 4.16Å; W445-L482 HydrophobicContact CE3-CD2 4.19Å; W445-L482 HydrophobicContact CE3-CG 4.2Å; W445-L482 HydrophobicContact CZ3-CD2 4.33Å; A447-L482 HydrophobicContact CB-CD1 4.23Å; P480-L482 PolarHBondContact O-N 3.4Å; L482-P494 WeakPolarHBondContact O-CA 3.4Å; L482-L495 HydrophobicContact CB-CB 4.29Å; L482-L495 HydrophobicContact CG-CB 4.43Å; L482-L495 PolarHBondContact O-N 3.48Å; L482-F503 HydrophobicContact CB-CD2 4.04Å; L482-F503 HydrophobicContact CB-CE2 3.62Å; L482-F503 HydrophobicContact CD2-CD2 3.61Å; L482-F503 HydrophobicContact CD2-CE2 4.05Å; L482-F503 HydrophobicContact CD2-CG 4.3Å; L482-F503 HydrophobicContact CG-CD2 4.48Å; L482-V506 HydrophobicContact CD1-CG1 3.8Å; L482-V506 HydrophobicContact CD2-CB 4.28Å; L482-V506 HydrophobicContact CD2-CG1 3.99Å; L482-I507 HydrophobicContact CB-CD1 4.37Å; L482-I507 HydrophobicContact CD1-CD1 4.1Å; L482-I507 HydrophobicContact CD2-CD1 4.36Å; L482-M510 HydrophobicContact CD1-CE 4.45Å
483F98.3Very high96.2Very high4 Ų458.7 Ų58.72%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-133.1146.3172.7-59-91.9000110.4W353 W445 K446 H448 L481 I485 E491 P494W353-F483 HydrophobicContact CH2-CE2 4.45Å; W353-F483 HydrophobicContact CH2-CZ 4.29Å; W353-F483 HydrophobicContact CZ3-CE2 4.27Å; W353-F483 HydrophobicContact CZ3-CZ 4.24Å; W445-F483 CarbonylContact C-O 3.4Å; W445-F483 WeakPolarHBondContact CA-O 3.39Å; K446-F483 PolarHBondContact N-O 2.68Å; K446-F483 PolarHBondContact O-N 3.34Å; H448-F483 AromaticContact CD2-CD2 3.63Å; H448-F483 AromaticContact CD2-CE2 3.57Å; H448-F483 AromaticContact NE2-CD2 3.93Å; H448-F483 AromaticContact NE2-CE2 3.93Å; L481-F483 HydrophobicContact CB-CE2 3.87Å; L481-F483 HydrophobicContact CB-CZ 4.43Å; F483-I485 HydrophobicContact CB-CD1 3.82Å; F483-E491 HydrophobicContact CD1-CB 4.02Å; F483-E491 HydrophobicContact CE1-CB 4.07Å; F483-E491 WeakPolarHBondContact CE1-O 3.3Å; F483-E491 HydrophobicContact CG-CB 4.29Å; F483-E491 HydrophobicContact CZ-CB 4.4Å; F483-P494 HydrophobicContact CE1-CB 3.89Å; F483-P494 HydrophobicContact CZ-CB 3.94Å
484D97.5Very high96.5Very high13 Ų1357.3 Ų57.37%0.0730%0.303CS..EExtended strand (participates in β ladder)trans-9697.9162.1177.93.8000109T443 W445 S486 R487 D488 L495T443-D484 WeakPolarHBondContact CG2-OD1 3.41Å; W445-D484 HydrophobicContact CE3-CB 4.12Å; W445-D484 HydrophobicContact CZ3-CB 3.88Å; D484-S486 VanDerWaalsContact CG-OG 3.3Å; D484-S486 PolarHBondContact O-N 3.22Å; D484-S486 VanDerWaalsContact OD1-CB 3.32Å; D484-S486 WeakPolarHBondContact OD1-CB 3.42Å; D484-S486 PolarHBondContact OD1-N 2.83Å; D484-S486 PolarHBondContact OD1-OG 2.77Å; D484-S486 PolarHBondContact OD2-OG 2.97Å; D484-R487 PolarHBondContact O-N 3.48Å; D484-R487 VanDerWaalsContact O-N 3.14Å; D484-R487 VanDerWaalsContact OD2-CD 3.26Å; D484-R487 WeakPolarHBondContact OD2-CD 3.4Å; D484-R487 WeakPolarHBondContact OD2-CG 3.36Å; D484-R487 IonicContact OD2-NE 3.21Å; D484-D488 PolarHBondContact O-N 3.26Å; D484-L495 HydrophobicContact CB-CD1 4.18Å
485I97.2Very high96.6Very high6 Ų658.6 Ų58.63%0.03131%0.31CS..THydrogen-bonded Turntrans-67.6-20.2-177.4-53.4-57.7000112.1E354 V444 K446 F483 R487 E491E354-I485 HydrophobicContact CG-CG2 4.48Å; V444-I485 HydrophobicContact CB-CB 4.27Å; V444-I485 HydrophobicContact CG1-CB 4.19Å; V444-I485 WeakPolarHBondContact O-CB 3.01Å; V444-I485 PolarHBondContact O-N 3.47Å; K446-I485 HydrophobicContact CB-CD1 3.88Å; K446-I485 HydrophobicContact CB-CG1 3.49Å; K446-I485 VanDerWaalsContact CB-CG1 3.49Å; K446-I485 HydrophobicContact CD-CD1 3.81Å; K446-I485 HydrophobicContact CD-CG1 3.84Å; K446-I485 HydrophobicContact CG-CD1 4.46Å; K446-I485 HydrophobicContact CG-CG1 4.32Å; F483-I485 HydrophobicContact CB-CD1 3.82Å; I485-R487 VanDerWaalsContact C-N 3.26Å; I485-R487 PolarHBondContact O-N 3.41Å; I485-E491 HydrophobicContact CD1-CG 3.49Å; I485-E491 VanDerWaalsContact CD1-CG 3.49Å
486S95.3Very high96.5Very high61 Ų6158 Ų5843%0.42731%0.308SS..THydrogen-bonded Turntrans-70.3-27176.174.80000112D484D484-S486 VanDerWaalsContact CG-OG 3.3Å; D484-S486 PolarHBondContact O-N 3.22Å; D484-S486 VanDerWaalsContact OD1-CB 3.32Å; D484-S486 WeakPolarHBondContact OD1-CB 3.42Å; D484-S486 PolarHBondContact OD1-N 2.83Å; D484-S486 PolarHBondContact OD1-OG 2.77Å; D484-S486 PolarHBondContact OD2-OG 2.97Å
487R95.2Very high96.4Very high212 Ų21254.4 Ų54.480%0.830%0.302SS*.THydrogen-bonded Turntrans-105.9-36.8178.5-67.4-178.3175.3178.4-0.4113.4D484 I485 P489D484-R487 PolarHBondContact O-N 3.48Å; D484-R487 VanDerWaalsContact O-N 3.14Å; D484-R487 VanDerWaalsContact OD2-CD 3.26Å; D484-R487 WeakPolarHBondContact OD2-CD 3.4Å; D484-R487 WeakPolarHBondContact OD2-CG 3.36Å; D484-R487 IonicContact OD2-NE 3.21Å; I485-R487 VanDerWaalsContact C-N 3.26Å; I485-R487 PolarHBondContact O-N 3.41Å; R487-P489 VanDerWaalsContact C-CD 3.44Å; R487-P489 WeakPolarHBondContact O-CD 3.43Å
488D97Very high96.2Very high23 Ų2360.2 Ų60.212%0.12333%0.334CS..  trans-120.376.2177.8179.618.1000111D484 S490 E491 A492 L493D484-D488 PolarHBondContact O-N 3.26Å; D488-S490 PolarHBondContact O-N 3.08Å; D488-S490 VanDerWaalsContact O-N 3.16Å; D488-S490 PolarHBondContact OD1-N 2.94Å; D488-S490 PolarHBondContact OD1-OG 3.15Å; D488-E491 PolarHBondContact O-N 2.76Å; D488-E491 PolarHBondContact OD1-N 3.27Å; D488-E491 VanDerWaalsContact OD1-N 3.1Å; D488-E491 WeakPolarHBondContact OD2-CA 3.46Å; D488-A492 PolarHBondContact OD1-N 3.03Å; D488-A492 PolarHBondContact OD2-N 2.75Å; D488-L493 PolarHBondContact OD2-N 2.99Å
489P96.2Very high96.2Very high38 Ų3856.5 Ų56.525%0.24731%0.314CS..THydrogen-bonded Turntrans-62.9-17.4174.823.7-33.4000113.5I343 Y344 R487I343-P489 HydrophobicContact CD1-CB 3.97Å; I343-P489 HydrophobicContact CD1-CG 3.64Å; Y344-P489 HydrophobicContact CD1-CB 4.48Å; Y344-P489 WeakPolarHBondContact CD1-O 3.19Å; Y344-P489 HydrophobicContact CE1-CB 3.93Å; R487-P489 VanDerWaalsContact C-CD 3.44Å; R487-P489 WeakPolarHBondContact O-CD 3.43Å
490S96Very high96.3Very high39 Ų3954.4 Ų54.427%0.27330%0.298SS..THydrogen-bonded Turntrans-83.7-12.7-179.670.90000113.8I343 K345 D488 A492I343-S490 WeakPolarHBondContact O-CA 3.36Å; I343-S490 WeakPolarHBondContact O-CB 3.4Å; K345-S490 WeakPolarHBondContact CB-O 3.34Å; D488-S490 PolarHBondContact O-N 3.08Å; D488-S490 VanDerWaalsContact O-N 3.16Å; D488-S490 PolarHBondContact OD1-N 2.94Å; D488-S490 PolarHBondContact OD1-OG 3.15Å; S490-A492 VanDerWaalsContact C-N 3.26Å; S490-A492 PolarHBondContact O-N 3.28Å; S490-A492 VanDerWaalsContact OG-CB 3.31Å; S490-A492 WeakPolarHBondContact OG-CB 3.37Å
491E96.6Very high96.2Very high0 Ų060 Ų600%034%0.335CS..  trans53.545.7-175-49.5-1789300111.7K345 W353 E354 K446 H448 F483 I485 D488K345-E491 PolarHBondContact NZ-O 3.43Å; W353-E491 HydrophobicContact CE3-CB 4.02Å; W353-E491 HydrophobicContact CE3-CG 4.43Å; W353-E491 HydrophobicContact CZ3-CB 3.66Å; W353-E491 HydrophobicContact CZ3-CG 4.42Å; E354-E491 WeakPolarHBondContact CB-OE2 3.39Å; E354-E491 HydrophobicContact CG-CG 4.19Å; E354-E491 WeakPolarHBondContact CG-OE2 3.44Å; E354-E491 PolarHBondContact N-OE2 3.11Å; K446-E491 VanDerWaalsContact CD-OE1 3.26Å; K446-E491 WeakPolarHBondContact CD-OE1 3.42Å; K446-E491 WeakPolarHBondContact CE-OE1 3.27Å; K446-E491 IonicContact NZ-OE1 2.87Å; K446-E491 PolarHBondContact NZ-OE1 3.41Å; K446-E491 IonicContact NZ-OE2 3.46Å; K446-E491 PolarHBondContact NZ-OE2 2.8Å; H448-E491 IonicContact CD2-OE1 3.48Å; H448-E491 IonicContact CE1-OE1 3.06Å; H448-E491 PolarHBondContact CE1-OE1 3.38Å; H448-E491 IonicContact NE2-OE1 3.07Å; H448-E491 PolarHBondContact NE2-OE1 2.96Å; F483-E491 HydrophobicContact CD1-CB 4.02Å; F483-E491 HydrophobicContact CE1-CB 4.07Å; F483-E491 WeakPolarHBondContact CE1-O 3.3Å; F483-E491 HydrophobicContact CG-CB 4.29Å; F483-E491 HydrophobicContact CZ-CB 4.4Å; I485-E491 HydrophobicContact CD1-CG 3.49Å; I485-E491 VanDerWaalsContact CD1-CG 3.49Å; D488-E491 PolarHBondContact O-N 2.76Å; D488-E491 PolarHBondContact OD1-N 3.27Å; D488-E491 VanDerWaalsContact OD1-N 3.1Å; D488-E491 WeakPolarHBondContact OD2-CA 3.46Å
492A95Very high96.1Very high56 Ų5661.7 Ų61.746%0.46334%0.343SS..  trans-93-32.7-178.600000112.6D488 S490 P494D488-A492 PolarHBondContact OD1-N 3.03Å; D488-A492 PolarHBondContact OD2-N 2.75Å; S490-A492 VanDerWaalsContact C-N 3.26Å; S490-A492 PolarHBondContact O-N 3.28Å; S490-A492 VanDerWaalsContact OG-CB 3.31Å; S490-A492 WeakPolarHBondContact OG-CB 3.37Å; A492-P494 WeakPolarHBondContact O-CD 3.43Å
493L95.2Very high96.1Very high129 Ų12962 Ų6268%0.67534%0.344SS*.SBendtrans-117.595.7-171.7-62.7177000110.4D488D488-L493 PolarHBondContact OD2-N 2.99Å
494P96.4Very high96Very high63 Ų6367.2 Ų67.241%0.40937%0.372SS..  trans-69.1143.8176.729.3-33.9000111.2L481 L482 F483 A492L481-P494 HydrophobicContact CD2-CB 4.36Å; L482-P494 WeakPolarHBondContact O-CA 3.4Å; F483-P494 HydrophobicContact CE1-CB 3.89Å; F483-P494 HydrophobicContact CZ-CB 3.94Å; A492-P494 WeakPolarHBondContact O-CD 3.43Å
495L97.6Very high96Very high36 Ų3669.7 Ų69.719%0.18839%0.391CS..BIsolated β-bridgetrans-93151.3174.2-57.7174.2000110.1W445 L482 D484 N499 E500 F503W445-L495 HydrophobicContact CE3-CD1 4.36Å; W445-L495 HydrophobicContact CH2-CD1 4.45Å; W445-L495 HydrophobicContact CZ3-CD1 3.54Å; L482-L495 HydrophobicContact CB-CB 4.29Å; L482-L495 HydrophobicContact CG-CB 4.43Å; L482-L495 PolarHBondContact O-N 3.48Å; D484-L495 HydrophobicContact CB-CD1 4.18Å; L495-N499 WeakPolarHBondContact CA-OD1 3.25Å; L495-E500 HydrophobicContact CB-CB 4Å; L495-E500 HydrophobicContact CD1-CB 4.42Å; L495-E500 HydrophobicContact CD1-CG 4.26Å; L495-E500 HydrophobicContact CD2-CB 4.48Å; L495-F503 VanDerWaalsContact O-CE2 3.32Å; L495-F503 WeakPolarHBondContact O-CE2 3.31Å
496N95.3Very high96Very high63 Ų6369.5 Ų69.534%0.33739%0.39SS..  trans-145.9171.2-178.565.635.6000110.2D498 N499 E500N496-D498 PolarHBondContact O-N 2.8Å; N496-D498 VanDerWaalsContact O-N 3.14Å; N496-D498 WeakPolarHBondContact OD1-CA 3.43Å; N496-D498 WeakPolarHBondContact OD1-CB 3.48Å; N496-D498 PolarHBondContact OD1-N 3Å; N496-N499 PolarHBondContact N-OD1 2.82Å; N496-N499 PolarHBondContact O-N 2.88Å; N496-N499 PolarHBondContact O-OD1 2.91Å; N496-N499 VanDerWaalsContact O-OD1 3.07Å; N496-N499 VanDerWaalsContact OD1-CG 3.25Å; N496-N499 PolarHBondContact OD1-N 3.4Å; N496-N499 PolarHBondContact OD1-OD1 2.83Å; N496-E500 PolarHBondContact O-N 2.86Å
497P94.8Very high96.1Very high69 Ų6967.2 Ų67.245%0.44837%0.373SS..THydrogen-bonded Turntrans-59.5-23.8179.8-26.635.7000115F503P497-F503 HydrophobicContact CG-CD1 3.72Å; P497-F503 HydrophobicContact CG-CE1 3.99Å; P497-F503 HydrophobicContact CG-CG 4.17Å
498D94.3Very high96.3Very high158 Ų15864.6 Ų64.685%0.84537%0.367SS*.THydrogen-bonded Turntrans-79.2-27.4-179.4-57.8-37.8000112.5N496N496-D498 PolarHBondContact O-N 2.8Å; N496-D498 VanDerWaalsContact O-N 3.14Å; N496-D498 WeakPolarHBondContact OD1-CA 3.43Å; N496-D498 WeakPolarHBondContact OD1-CB 3.48Å; N496-D498 PolarHBondContact OD1-N 3Å
499N94.3Very high96.3Very high85 Ų8567.8 Ų67.846%0.45538%0.38SS..THydrogen-bonded Turntrans-115.5-9.5-174.672.914.4000114.9L495 N496L495-N499 WeakPolarHBondContact CA-OD1 3.25Å; N496-N499 PolarHBondContact N-OD1 2.82Å; N496-N499 PolarHBondContact O-N 2.88Å; N496-N499 PolarHBondContact O-OD1 2.91Å; N496-N499 VanDerWaalsContact O-OD1 3.07Å; N496-N499 VanDerWaalsContact OD1-CG 3.25Å; N496-N499 PolarHBondContact OD1-N 3.4Å; N496-N499 PolarHBondContact OD1-OD1 2.83Å
500E96.3Very high96.4Very high31 Ų3166 Ų6615%0.14537%0.369CS..  trans-132.8102.3177.5178.648.2-106.200111W445 L495 N496 L502 F503W445-E500 HydrophobicContact CH2-CG 4.18Å; W445-E500 HydrophobicContact CZ3-CG 4.34Å; L495-E500 HydrophobicContact CB-CB 4Å; L495-E500 HydrophobicContact CD1-CB 4.42Å; L495-E500 HydrophobicContact CD1-CG 4.26Å; L495-E500 HydrophobicContact CD2-CB 4.48Å; N496-E500 PolarHBondContact O-N 2.86Å; E500-L502 PolarHBondContact O-N 3.21Å; E500-L502 VanDerWaalsContact O-N 3.14Å; E500-L502 VanDerWaalsContact OE1-CB 3.32Å; E500-L502 WeakPolarHBondContact OE1-CB 3.31Å; E500-L502 PolarHBondContact OE1-N 2.95Å; E500-F503 HydrophobicContact CB-CB 4.34Å; E500-F503 HydrophobicContact CG-CB 4.35Å; E500-F503 WeakPolarHBondContact O-CB 3.41Å; E500-F503 PolarHBondContact O-N 2.98Å
501P95.6Very high96.5Very high125 Ų12569 Ų6981%0.81238%0.378SS*.THydrogen-bonded Turntrans-59.3-25.7-179.7-25.334.6000114.6F503P501-F503 VanDerWaalsContact C-N 3.33Å
502L95.6Very high96.6Very high84 Ų8471.8 Ų71.844%0.4440%0.401SS..THydrogen-bonded Turntrans-85.4-3.5179.3-60.2178000113.3W445 E500 D504 S505 V506W445-L502 HydrophobicContact CZ2-CD1 4.4Å; E500-L502 PolarHBondContact O-N 3.21Å; E500-L502 VanDerWaalsContact O-N 3.14Å; E500-L502 VanDerWaalsContact OE1-CB 3.32Å; E500-L502 WeakPolarHBondContact OE1-CB 3.31Å; E500-L502 PolarHBondContact OE1-N 2.95Å; L502-D504 PolarHBondContact O-N 3.41Å; L502-S505 PolarHBondContact O-N 3.01Å; L502-S505 PolarHBondContact O-OG 2.02Å; L502-V506 HydrophobicContact CB-CG2 4.03Å; L502-V506 WeakPolarHBondContact O-CG2 3.48Å; L502-V506 PolarHBondContact O-N 3.3Å
503F97.6Very high96.7Very high6 Ų669.8 Ų69.83%0.02639%0.385CS..Hα-helixtrans-46.8-58.5-170.6-175.3-84.7000112.6P479 L482 L495 P497 E500 P501 S505 V506 I507P479-F503 HydrophobicContact CB-CE1 3.93Å; P479-F503 HydrophobicContact CB-CZ 3.99Å; P479-F503 HydrophobicContact CG-CE1 4.26Å; P479-F503 HydrophobicContact CG-CZ 4.21Å; L482-F503 HydrophobicContact CB-CD2 4.04Å; L482-F503 HydrophobicContact CB-CE2 3.62Å; L482-F503 HydrophobicContact CD2-CD2 3.61Å; L482-F503 HydrophobicContact CD2-CE2 4.05Å; L482-F503 HydrophobicContact CD2-CG 4.3Å; L482-F503 HydrophobicContact CG-CD2 4.48Å; L495-F503 VanDerWaalsContact O-CE2 3.32Å; L495-F503 WeakPolarHBondContact O-CE2 3.31Å; P497-F503 HydrophobicContact CG-CD1 3.72Å; P497-F503 HydrophobicContact CG-CE1 3.99Å; P497-F503 HydrophobicContact CG-CG 4.17Å; E500-F503 HydrophobicContact CB-CB 4.34Å; E500-F503 HydrophobicContact CG-CB 4.35Å; E500-F503 WeakPolarHBondContact O-CB 3.41Å; E500-F503 PolarHBondContact O-N 2.98Å; P501-F503 VanDerWaalsContact C-N 3.33Å; F503-S505 VanDerWaalsContact C-N 3.3Å; F503-S505 PolarHBondContact O-N 3.2Å; F503-V506 PolarHBondContact O-N 2.96Å; F503-I507 HydrophobicContact CD1-CG1 4.12Å; F503-I507 HydrophobicContact CE1-CG1 3.81Å; F503-I507 HydrophobicContact CZ-CG1 4.03Å; F503-I507 WeakPolarHBondContact O-CG1 3.37Å; F503-I507 PolarHBondContact O-N 2.97Å
504D97.3Very high96.9Very high114 Ų11464.2 Ų64.261%0.6136%0.355SS*.Hα-helixtrans-62.4-37-176.8-67-33.7000112.7L502 K508L502-D504 PolarHBondContact O-N 3.41Å; D504-K508 WeakPolarHBondContact O-CB 3.41Å; D504-K508 PolarHBondContact O-N 3.14Å
505S96.9Very high97Very high66 Ų6668.1 Ų68.146%0.46237%0.366SS..Hα-helixtrans-69.3-39.3179.476.10000112L502 F503 K509L502-S505 PolarHBondContact O-N 3.01Å; L502-S505 PolarHBondContact O-OG 2.02Å; F503-S505 VanDerWaalsContact C-N 3.3Å; F503-S505 PolarHBondContact O-N 3.2Å; S505-K509 WeakPolarHBondContact O-CB 3.38Å; S505-K509 PolarHBondContact O-N 3.19Å
506V97.4Very high97Very high2 Ų271.7 Ų71.71%0.01238%0.382CS..Hα-helixtrans-66.3-50.1177.4171.10000109.9W436 W445 L482 L502 F503 K508 K509 M510W436-V506 HydrophobicContact CE3-CG1 4.11Å; W436-V506 HydrophobicContact CZ3-CB 4.32Å; W436-V506 HydrophobicContact CZ3-CG1 4.27Å; W436-V506 HydrophobicContact CZ3-CG2 4.05Å; W445-V506 HydrophobicContact CB-CG1 3.9Å; W445-V506 HydrophobicContact CD2-CG1 3.99Å; W445-V506 HydrophobicContact CD2-CG2 4.07Å; W445-V506 HydrophobicContact CE3-CG1 4.4Å; W445-V506 HydrophobicContact CG-CG1 3.76Å; W445-V506 HydrophobicContact CG-CG2 4.35Å; W445-V506 HydrophobicContact CZ2-CG2 4.18Å; L482-V506 HydrophobicContact CD1-CG1 3.8Å; L482-V506 HydrophobicContact CD2-CB 4.28Å; L482-V506 HydrophobicContact CD2-CG1 3.99Å; L502-V506 HydrophobicContact CB-CG2 4.03Å; L502-V506 WeakPolarHBondContact O-CG2 3.48Å; L502-V506 PolarHBondContact O-N 3.3Å; F503-V506 PolarHBondContact O-N 2.96Å; V506-K508 PolarHBondContact O-N 3.19Å; V506-K509 PolarHBondContact O-N 3.17Å; V506-M510 HydrophobicContact CG1-CE 4.13Å; V506-M510 HydrophobicContact CG1-SD 4.3Å; V506-M510 WeakPolarHBondContact O-CG 3.31Å; V506-M510 PolarHBondContact O-N 2.92Å
507I98.1Very high97.2Very high13 Ų1369.2 Ų69.27%0.06737%0.368CS..Hα-helixtrans-60.1-47.6178.6-64.1-45.7000110.8A447 P480 L482 F503 K509 M510 E511A447-I507 HydrophobicContact CB-CD1 3.93Å; P480-I507 HydrophobicContact CG-CD1 3.63Å; P480-I507 HydrophobicContact CG-CG1 4.15Å; P480-I507 HydrophobicContact CG-CG2 3.95Å; L482-I507 HydrophobicContact CB-CD1 4.37Å; L482-I507 HydrophobicContact CD1-CD1 4.1Å; L482-I507 HydrophobicContact CD2-CD1 4.36Å; F503-I507 HydrophobicContact CD1-CG1 4.12Å; F503-I507 HydrophobicContact CE1-CG1 3.81Å; F503-I507 HydrophobicContact CZ-CG1 4.03Å; F503-I507 WeakPolarHBondContact O-CG1 3.37Å; F503-I507 PolarHBondContact O-N 2.97Å; I507-K509 VanDerWaalsContact C-N 3.3Å; I507-K509 PolarHBondContact O-N 2.83Å; I507-M510 PolarHBondContact O-N 3.36Å; I507-M510 VanDerWaalsContact O-N 3.14Å; I507-E511 HydrophobicContact CG2-CG 4.31Å; I507-E511 WeakPolarHBondContact O-CG 3.24Å; I507-E511 PolarHBondContact O-N 3.39Å
508K98Very high97.3Very high156 Ų15673 Ų7368%0.67837%0.374SS*.Hα-helixtrans-58.9-39.9178.3-175.3177-177.4177.30112.8D504 V506 A512D504-K508 WeakPolarHBondContact O-CB 3.41Å; D504-K508 PolarHBondContact O-N 3.14Å; V506-K508 PolarHBondContact O-N 3.19Å; K508-A512 PolarHBondContact O-N 2.68Å; K508-A512 VanDerWaalsContact O-N 3.15Å
509K97.9Very high97.5Very high91 Ų9174.2 Ų74.240%0.39637%0.366SS..Hα-helixtrans-66.3-43.3176.8179.373.7178.7-167.30111.3E421 F422 W436 S505 V506 I507 A512 A513E421-K509 IonicContact OE1-NZ 3.14Å; F422-K509 HydrophobicContact CZ-CD 4.4Å; F422-K509 HydrophobicContact CZ-CG 3.94Å; W436-K509 HydrophobicContact CD2-CG 4.21Å; W436-K509 HydrophobicContact CE3-CB 4.45Å; W436-K509 HydrophobicContact CE3-CG 4.17Å; W436-K509 HydrophobicContact CH2-CB 4.25Å; W436-K509 HydrophobicContact CH2-CG 3.79Å; W436-K509 HydrophobicContact CZ2-CD 4.41Å; W436-K509 HydrophobicContact CZ2-CG 3.79Å; W436-K509 HydrophobicContact CZ3-CB 4.09Å; W436-K509 HydrophobicContact CZ3-CG 3.96Å; S505-K509 WeakPolarHBondContact O-CB 3.38Å; S505-K509 PolarHBondContact O-N 3.19Å; V506-K509 PolarHBondContact O-N 3.17Å; I507-K509 VanDerWaalsContact C-N 3.3Å; I507-K509 PolarHBondContact O-N 2.83Å; K509-A512 PolarHBondContact O-N 3.47Å; K509-A513 PolarHBondContact O-N 2.88Å; K509-A513 VanDerWaalsContact O-N 3.1Å
510M98.3Very high97.6Very high0 Ų072.3 Ų72.30%036%0.358CS..Hα-helixtrans-64.1-42.3176.5-72.3-177.8168.400112.3F422 V434 W436 W445 A447 L482 V506 I507 A512 A513 I514F422-M510 HydrophobicContact CE1-CG 4.39Å; V434-M510 HydrophobicContact CG1-CB 4.39Å; V434-M510 HydrophobicContact CG1-CG 4.3Å; W436-M510 HydrophobicContact CB-CE 3.51Å; W436-M510 HydrophobicContact CB-CG 4.19Å; W445-M510 VanDerWaalsContact C-CE 3.5Å; W445-M510 HydrophobicContact CB-CE 3.31Å; W445-M510 WeakPolarHBondContact O-CE 3.5Å; A447-M510 HydrophobicContact CB-CE 4.38Å; A447-M510 HydrophobicContact CB-SD 3.34Å; A447-M510 WeakPolarHBondContact CB-SD 3.31Å; L482-M510 HydrophobicContact CD1-CE 4.45Å; V506-M510 HydrophobicContact CG1-CE 4.13Å; V506-M510 HydrophobicContact CG1-SD 4.3Å; V506-M510 WeakPolarHBondContact O-CG 3.31Å; V506-M510 PolarHBondContact O-N 2.92Å; I507-M510 PolarHBondContact O-N 3.36Å; I507-M510 VanDerWaalsContact O-N 3.14Å; M510-A512 VanDerWaalsContact C-N 3.32Å; M510-A512 PolarHBondContact O-N 3.23Å; M510-A513 WeakPolarHBondContact O-CB 3.49Å; M510-A513 PolarHBondContact O-N 3.47Å; M510-A513 VanDerWaalsContact O-N 3.13Å; M510-I514 WeakPolarHBondContact O-CG1 3.45Å; M510-I514 PolarHBondContact O-N 3.48Å
511E98.1Very high97.6Very high101 Ų10172.9 Ų72.947%0.47236%0.361SS..Hα-helixtrans-61-40.3176.2-73.5-180167.200112.6I507 A513 I514 K515I507-E511 HydrophobicContact CG2-CG 4.31Å; I507-E511 WeakPolarHBondContact O-CG 3.24Å; I507-E511 PolarHBondContact O-N 3.39Å; E511-A513 VanDerWaalsContact C-N 3.34Å; E511-I514 PolarHBondContact O-N 2.81Å; E511-K515 PolarHBondContact O-N 2.89Å
512A98.4Very high97.6Very high59 Ų5971.7 Ų71.749%0.48835%0.352SS..Hα-helixtrans-61.6-43173.600000111.5K508 K509 M510 K515 E516K508-A512 PolarHBondContact O-N 2.68Å; K508-A512 VanDerWaalsContact O-N 3.15Å; K509-A512 PolarHBondContact O-N 3.47Å; M510-A512 VanDerWaalsContact C-N 3.32Å; M510-A512 PolarHBondContact O-N 3.23Å; A512-K515 PolarHBondContact O-N 3.33Å; A512-E516 PolarHBondContact O-N 3.39Å
513A98.4Very high97.6Very high14 Ų1474.1 Ų74.112%0.11637%0.373CS..Hα-helixtrans-64.5-38.8176.100000112.4F422 F424 K509 M510 E511 K515 E516 H517F422-A513 HydrophobicContact CD1-CB 3.52Å; F422-A513 HydrophobicContact CD2-CB 3.9Å; F422-A513 HydrophobicContact CE1-CB 3.5Å; F422-A513 HydrophobicContact CE2-CB 3.89Å; F422-A513 HydrophobicContact CG-CB 3.72Å; F422-A513 HydrophobicContact CZ-CB 3.72Å; F424-A513 HydrophobicContact CZ-CB 4.37Å; K509-A513 PolarHBondContact O-N 2.88Å; K509-A513 VanDerWaalsContact O-N 3.1Å; M510-A513 WeakPolarHBondContact O-CB 3.49Å; M510-A513 PolarHBondContact O-N 3.47Å; M510-A513 VanDerWaalsContact O-N 3.13Å; E511-A513 VanDerWaalsContact C-N 3.34Å; A513-K515 VanDerWaalsContact C-N 3.34Å; A513-K515 PolarHBondContact O-N 2.87Å; A513-E516 PolarHBondContact O-N 2.83Å; A513-H517 WeakPolarHBondContact O-CB 3.2Å; A513-H517 PolarHBondContact O-N 2.73Å
514I98.4Very high97.5Very high12 Ų1275.8 Ų75.86%0.06238%0.383CS..Hα-helixtrans-60.4-45.9173.4-68.9168.8000110.7F424 L431 V434 Y449 M510 E511 E516 H517 R518F424-I514 HydrophobicContact CE1-CG1 4.23Å; L431-I514 HydrophobicContact CD2-CD1 4.13Å; L431-I514 HydrophobicContact CD2-CG1 3.99Å; L431-I514 HydrophobicContact CD2-CG2 3.84Å; V434-I514 HydrophobicContact CB-CD1 4.49Å; V434-I514 HydrophobicContact CG2-CD1 3.55Å; V434-I514 HydrophobicContact CG2-CG1 3.46Å; V434-I514 VanDerWaalsContact CG2-CG1 3.46Å; Y449-I514 HydrophobicContact CD2-CD1 4.41Å; Y449-I514 HydrophobicContact CE1-CD1 4.42Å; Y449-I514 HydrophobicContact CE2-CD1 3.47Å; Y449-I514 VanDerWaalsContact CE2-CD1 3.47Å; Y449-I514 VanDerWaalsContact CZ-CD1 3.47Å; Y449-I514 VanDerWaalsContact OH-CD1 3.25Å; Y449-I514 WeakPolarHBondContact OH-CD1 3.46Å; M510-I514 WeakPolarHBondContact O-CG1 3.45Å; M510-I514 PolarHBondContact O-N 3.48Å; E511-I514 PolarHBondContact O-N 2.81Å; I514-E516 VanDerWaalsContact C-N 3.31Å; I514-E516 PolarHBondContact O-N 2.93Å; I514-H517 PolarHBondContact O-N 2.89Å; I514-R518 HydrophobicContact CG2-CG 4.32Å; I514-R518 WeakPolarHBondContact O-CB 3.5Å; I514-R518 VanDerWaalsContact O-CG 3.32Å; I514-R518 WeakPolarHBondContact O-CG 3.39Å; I514-R518 PolarHBondContact O-N 2.87Å
515K98.3Very high97.5Very high145 Ų14575.1 Ų75.163%0.6339%0.385SS*.Hα-helixtrans-60.1-45.1179.5-172.4177.5-178.7177.50110.6E511 A512 A513 R518 R519E511-K515 PolarHBondContact O-N 2.89Å; A512-K515 PolarHBondContact O-N 3.33Å; A513-K515 VanDerWaalsContact C-N 3.34Å; A513-K515 PolarHBondContact O-N 2.87Å; K515-R518 PolarHBondContact O-N 3.22Å; K515-R519 WeakPolarHBondContact O-CG 3.36Å; K515-R519 PolarHBondContact O-N 3.27Å
516E98.2Very high97.4Very high111 Ų11175.1 Ų75.152%0.51938%0.378SS..Hα-helixtrans-65.8-47.5178.4-171.854.2-150.800112.1A512 A513 I514 R518 R519 T520A512-E516 PolarHBondContact O-N 3.39Å; A513-E516 PolarHBondContact O-N 2.83Å; I514-E516 VanDerWaalsContact C-N 3.31Å; I514-E516 PolarHBondContact O-N 2.93Å; E516-R518 VanDerWaalsContact C-N 3.32Å; E516-R518 PolarHBondContact O-N 3.43Å; E516-R519 WeakPolarHBondContact O-CB 3.19Å; E516-R519 PolarHBondContact O-N 2.94Å; E516-T520 PolarHBondContact O-N 2.96Å
517H98.2Very high97.4Very high11 Ų1175.7 Ų75.75%0.05138%0.381CS..Hα-helixtrans-55.1-46.8175.8172.758.7000112.2Y67 F424 Y426 A513 I514 R519 T520Y67-H517 AromaticContact CD2-CE1 3.86Å; F424-H517 HydrophobicContact CD1-CB 4.22Å; F424-H517 AromaticContact CD1-CD2 3.75Å; F424-H517 HydrophobicContact CD2-CB 4.16Å; F424-H517 AromaticContact CD2-CD2 3.84Å; F424-H517 AromaticContact CD2-CE1 3.95Å; F424-H517 AromaticContact CD2-CG 3.64Å; F424-H517 AromaticContact CD2-ND1 3.76Å; F424-H517 HydrophobicContact CE1-CB 3.69Å; F424-H517 HydrophobicContact CE2-CB 3.62Å; F424-H517 AromaticContact CE2-CG 3.6Å; F424-H517 AromaticContact CE2-ND1 3.85Å; F424-H517 HydrophobicContact CG-CB 4.45Å; F424-H517 AromaticContact CG-CD2 3.62Å; F424-H517 AromaticContact CG-CG 3.88Å; F424-H517 AromaticContact CG-NE2 3.9Å; F424-H517 HydrophobicContact CZ-CB 3.37Å; F424-H517 AromaticContact CZ-CG 3.81Å; Y426-H517 AromaticContact CE2-NE2 3.73Å; Y426-H517 AromaticContact CZ-NE2 3.71Å; Y426-H517 PolarHBondContact OH-CD2 3.46Å; Y426-H517 PolarHBondContact OH-NE2 3.4Å; A513-H517 WeakPolarHBondContact O-CB 3.2Å; A513-H517 PolarHBondContact O-N 2.73Å; I514-H517 PolarHBondContact O-N 2.89Å; H517-R519 PolarHBondContact O-N 3.42Å; H517-T520 WeakPolarHBondContact O-CB 3.45Å; H517-T520 PolarHBondContact O-N 3.1Å; H517-T520 PolarHBondContact O-OG1 2.93Å
518R97.8Very high97.2Very high149 Ų14975.1 Ų75.156%0.56238%0.378SS*.Hα-helixtrans-60.2-31.2177.6-75.6178.8178.9174.72.1113I514 K515 E516 T520 L521I514-R518 HydrophobicContact CG2-CG 4.32Å; I514-R518 WeakPolarHBondContact O-CB 3.5Å; I514-R518 VanDerWaalsContact O-CG 3.32Å; I514-R518 WeakPolarHBondContact O-CG 3.39Å; I514-R518 PolarHBondContact O-N 2.87Å; K515-R518 PolarHBondContact O-N 3.22Å; E516-R518 VanDerWaalsContact C-N 3.32Å; E516-R518 PolarHBondContact O-N 3.43Å; R518-T520 PolarHBondContact O-N 2.77Å; R518-L521 WeakPolarHBondContact O-CB 3.21Å; R518-L521 PolarHBondContact O-N 3.39Å
519R97.6Very high97Very high184 Ų18469.2 Ų69.269%0.69436%0.356SS*.Hα-helixtrans-67.9-25.2175.3-66.8173.993.9148.67.7112.7K515 E516 H517 L521K515-R519 WeakPolarHBondContact O-CG 3.36Å; K515-R519 PolarHBondContact O-N 3.27Å; E516-R519 WeakPolarHBondContact O-CB 3.19Å; E516-R519 PolarHBondContact O-N 2.94Å; H517-R519 PolarHBondContact O-N 3.42Å; R519-L521 VanDerWaalsContact C-N 3.29Å
520T97.5Very high96.6Very high45 Ų4569.4 Ų69.428%0.27636%0.364SS..THydrogen-bonded Turntrans-80.3-9.9175.378.50000113.4R70 E516 H517 R518R70-T520 PolarHBondContact NH1-O 3.32Å; R70-T520 PolarHBondContact NH1-OG1 2.83Å; R70-T520 PolarHBondContact NH2-OG1 3.47Å; E516-T520 PolarHBondContact O-N 2.96Å; H517-T520 WeakPolarHBondContact O-CB 3.45Å; H517-T520 PolarHBondContact O-N 3.1Å; H517-T520 PolarHBondContact O-OG1 2.93Å; R518-T520 PolarHBondContact O-N 2.77Å
521L96.9Very high96.3Very high42 Ų4275.9 Ų75.922%0.2239%0.393CS..PPolyproline II helixtrans-86.4120.7-179.1-59.2-178.2000110I69 R70 R518 R519I69-L521 HydrophobicContact CD1-CD1 4.16Å; I69-L521 HydrophobicContact CG2-CD1 4.35Å; I69-L521 HydrophobicContact CG2-CD2 3.77Å; R70-L521 HydrophobicContact CG-CD2 4.1Å; R518-L521 WeakPolarHBondContact O-CB 3.21Å; R518-L521 PolarHBondContact O-N 3.39Å; R519-L521 VanDerWaalsContact C-N 3.29Å
522T94.9Very high96.1Very high100 Ų10072.4 Ų72.461%0.61338%0.377SS*.PPolyproline II helixtrans-100.9143.7172.950.20000110.2V524T522-V524 PolarHBondContact O-N 3.38Å
523P94.9Very high95.8Very high136 Ų13669.9 Ų69.988%0.88336%0.356SS*.PPolyproline II helixtrans-59.1131.1173.6-24.434.3000111.2
524V96.6Very high95.4Very high40 Ų4073.8 Ų73.824%0.24237%0.374CS..  trans-133.4153.4179.9-68.40000111.2I69 R70 G72 T522 Q526I69-V524 WeakPolarHBondContact O-CG2 3.45Å; R70-V524 WeakPolarHBondContact O-CG1 3.39Å; G72-V524 VanDerWaalsContact N-CG2 3.34Å; T522-V524 PolarHBondContact O-N 3.38Å; V524-Q526 PolarHBondContact O-N 2.88Å; V524-Q526 PolarHBondContact O-NE2 3.25Å
525P96.2Very high95.1Very high100 Ų10075 Ų7565%0.64938%0.378SS*.  trans-56.4126.7175.3-25.134.9000111.7Q527P525-Q527 PolarHBondContact O-N 2.96Å
526Q95.7Very high94.9Very high66 Ų6668.4 Ų68.431%0.30835%0.349SS..  trans-75.1109.2-179.9-62.7-60.7-5400110.3V74 V524 F528 S529 N532V74-Q526 PolarHBondContact O-OE1 2.93Å; V524-Q526 PolarHBondContact O-N 2.88Å; V524-Q526 PolarHBondContact O-NE2 3.25Å; Q526-F528 PolarHBondContact O-N 3.4Å; Q526-S529 PolarHBondContact O-N 3.1Å; Q526-S529 PolarHBondContact O-OG 2.97Å; Q526-N532 PolarHBondContact O-ND2 2.9Å
527Q96.7Very high94.6Very high14 Ų1465.3 Ų65.37%0.06534%0.339CS..THydrogen-bonded Turntrans-68.3-20.6177.9-61.7-56.8-38.300111.8G72 M73 G90 G91 P93 Y130 P525 N532G72-Q527 WeakPolarHBondContact O-CB 3.46Å; G72-Q527 PolarHBondContact O-N 3.38Å; M73-Q527 HydrophobicContact CG-CG 4.46Å; M73-Q527 HydrophobicContact SD-CB 3.59Å; M73-Q527 VanDerWaalsContact SD-CB 3.59Å; M73-Q527 HydrophobicContact SD-CG 3.79Å; G90-Q527 WeakPolarHBondContact CA-O 3.35Å; G91-Q527 VanDerWaalsContact O-CG 3.26Å; G91-Q527 WeakPolarHBondContact O-CG 3.47Å; G91-Q527 PolarHBondContact O-OE1 2.83Å; P93-Q527 HydrophobicContact CG-CG 3.93Å; Y130-Q527 PolarHBondContact OH-OE1 2.63Å; P525-Q527 PolarHBondContact O-N 2.96Å; Q527-N532 WeakPolarHBondContact O-CB 3.18Å
528F94.9Very high94.5Very high2 Ų271.7 Ų71.71%0.00936%0.363CS..THydrogen-bonded Turntrans-104.819-178.7-72.3-139.6000112.3T56 M73 V74 N80 L83 Q526 T533T56-F528 HydrophobicContact CG2-CE1 4.47Å; T56-F528 HydrophobicContact CG2-CE2 3.79Å; T56-F528 HydrophobicContact CG2-CZ 3.34Å; M73-F528 HydrophobicContact CB-CE2 4.34Å; M73-F528 HydrophobicContact CE-CE2 3.98Å; M73-F528 HydrophobicContact SD-CD2 4.43Å; M73-F528 HydrophobicContact SD-CE2 3.82Å; V74-F528 WeakPolarHBondContact O-CB 3.39Å; N80-F528 WeakPolarHBondContact O-CD1 3.2Å; L83-F528 HydrophobicContact CD2-CD2 4.47Å; L83-F528 HydrophobicContact CD2-CE2 4.32Å; L83-F528 HydrophobicContact CG-CE2 4.32Å; L83-F528 HydrophobicContact CG-CZ 4.45Å; Q526-F528 PolarHBondContact O-N 3.4Å; F528-T533 HydrophobicContact CB-CG2 4.28Å
529S93Very high94.4Very high31 Ų3164.6 Ų64.622%0.21734%0.336CS..SBendtrans-57156170.970.70000110.8Q526 F531 N532 T533Q526-S529 PolarHBondContact O-N 3.1Å; Q526-S529 PolarHBondContact O-OG 2.97Å; S529-F531 PolarHBondContact O-N 3.02Å; S529-N532 PolarHBondContact O-N 3.43Å; S529-N532 WeakPolarHBondContact OG-CB 3.31Å; S529-N532 PolarHBondContact OG-N 3.48Å; S529-N532 PolarHBondContact OG-ND2 3.28Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 3.26Å
530V90.3Very high94.3Very high95 Ų9555.9 Ų55.958%0.57630%0.303SS*.Hα-helixtrans-54.6-40.7176.1178.20000110.7Y77 N532 T533 I534Y77-V530 HydrophobicContact CD2-CG2 4.49Å; Y77-V530 HydrophobicContact CE2-CG2 4.11Å; V530-N532 VanDerWaalsContact C-N 3.33Å; V530-N532 PolarHBondContact O-N 2.84Å; V530-T533 PolarHBondContact O-N 3.44Å; V530-I534 WeakPolarHBondContact O-CB 3.4Å; V530-I534 PolarHBondContact O-N 3.06Å
531F91.8Very high94.2Very high137 Ų13754 Ų5460%0.60129%0.291SS*.Hα-helixtrans-64.2-34.7177.7-177.9-100.4000113.4S529 K536S529-F531 PolarHBondContact O-N 3.02Å; F531-K536 WeakPolarHBondContact O-CE 3.31Å; F531-K536 PolarHBondContact O-NZ 3.24Å
532N94.1Very high94.1Very high27 Ų2753.1 Ų53.114%0.14429%0.289CS..Hα-helixtrans-83.6-24.9-179.4-74.4-22.1000113.3S89 G90 Q526 Q527 S529 V530S89-N532 PolarHBondContact N-O 3.29Å; S89-N532 WeakPolarHBondContact OG-CA 3.13Å; S89-N532 PolarHBondContact OG-OD1 3.45Å; G90-N532 PolarHBondContact N-O 2.58Å; G90-N532 VanDerWaalsContact N-O 3.11Å; Q526-N532 PolarHBondContact O-ND2 2.9Å; Q527-N532 WeakPolarHBondContact O-CB 3.18Å; S529-N532 PolarHBondContact O-N 3.43Å; S529-N532 WeakPolarHBondContact OG-CB 3.31Å; S529-N532 PolarHBondContact OG-N 3.48Å; S529-N532 PolarHBondContact OG-ND2 3.28Å; V530-N532 VanDerWaalsContact C-N 3.33Å; V530-N532 PolarHBondContact O-N 2.84Å
533T90.8Very high94.1Very high6 Ų649 Ų494%0.03726%0.264CS..Hα-helixtrans-98.7-14.2-176.755.60000114N80 L83 W85 F528 S529 V530N80-T533 HydrophobicContact CB-CG2 4.22Å; N80-T533 PolarHBondContact ND2-OG1 2.92Å; L83-T533 HydrophobicContact CD2-CG2 4.46Å; W85-T533 VanDerWaalsContact CD1-O 3.24Å; F528-T533 HydrophobicContact CB-CG2 4.28Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 3.26Å; V530-T533 PolarHBondContact O-N 3.44Å
534I90.4Very high93.8Very high97 Ų9745.6 Ų45.650%0.49725%0.253SS..SBendtrans-69.1144.9172.5-162.3168.1000110.9V530 K536V530-I534 WeakPolarHBondContact O-CB 3.4Å; V530-I534 PolarHBondContact O-N 3.06Å; I534-K536 HydrophobicContact CG2-CG 4.47Å; I534-K536 PolarHBondContact O-N 3.29Å
535W92.7Very high93.5Very high36 Ų3649.1 Ų49.114%0.13628%0.275CS..  trans-64.8131.1174.4178.970.8000111.6W85 W221 P537 F546W85-W535 HydrophobicContact CD2-CB 3.83Å; W85-W535 HydrophobicContact CD2-CG 4.27Å; W85-W535 HydrophobicContact CE3-CB 4.14Å; W85-W535 AromaticContact CE3-CD1 3.66Å; W85-W535 HydrophobicContact CE3-CG 4.08Å; W85-W535 HydrophobicContact CG-CB 4.06Å; W85-W535 HydrophobicContact CZ3-CG 4.43Å; W221-W535 HydrophobicContact CD2-CZ2 4.28Å; W221-W535 AromaticContact CE3-CE2 3.81Å; W221-W535 HydrophobicContact CE3-CH2 4.49Å; W221-W535 AromaticContact CE3-CZ2 3.7Å; W221-W535 HydrophobicContact CE3-CZ2 3.7Å; W221-W535 AromaticContact CE3-NE1 3.83Å; W221-W535 AromaticContact CH2-CH2 3.4Å; W221-W535 HydrophobicContact CH2-CH2 3.4Å; W221-W535 AromaticContact CH2-CZ2 3.28Å; W221-W535 HydrophobicContact CH2-CZ2 3.28Å; W221-W535 HydrophobicContact CH2-CZ3 4.38Å; W221-W535 HydrophobicContact CZ2-CH2 4.28Å; W221-W535 AromaticContact CZ2-CZ2 3.93Å; W221-W535 HydrophobicContact CZ2-CZ2 3.93Å; W221-W535 HydrophobicContact CZ3-CD2 4.34Å; W221-W535 AromaticContact CZ3-CE2 3.59Å; W221-W535 AromaticContact CZ3-CH2 3.54Å; W221-W535 HydrophobicContact CZ3-CH2 3.54Å; W221-W535 AromaticContact CZ3-CZ2 3.17Å; W221-W535 HydrophobicContact CZ3-CZ2 3.17Å; W221-W535 HydrophobicContact CZ3-CZ3 4.26Å; W535-P537 HydrophobicContact CE3-CG 4.17Å; W535-P537 HydrophobicContact CH2-CB 4.05Å; W535-P537 HydrophobicContact CH2-CG 3.68Å; W535-P537 HydrophobicContact CZ2-CB 4.26Å; W535-P537 HydrophobicContact CZ2-CG 4.21Å; W535-P537 HydrophobicContact CZ3-CG 3.66Å; W535-F546 HydrophobicContact CH2-CZ 4.26Å; W535-F546 HydrophobicContact CZ2-CE2 4.28Å; W535-F546 HydrophobicContact CZ2-CZ 4.08Å
536K93.5Very high93.2Very high7 Ų747.3 Ų47.33%0.0326%0.257CS..  trans-121.2111.9179.8-65170.7178179.20110G87 S89 F531 I534 W538 L539 Q540G87-K536 WeakPolarHBondContact O-CA 3.46Å; G87-K536 VanDerWaalsContact O-CB 3.29Å; G87-K536 WeakPolarHBondContact O-CB 3.04Å; G87-K536 PolarHBondContact O-N 3.39Å; S89-K536 PolarHBondContact OG-NZ 2.93Å; F531-K536 WeakPolarHBondContact O-CE 3.31Å; F531-K536 PolarHBondContact O-NZ 3.24Å; I534-K536 HydrophobicContact CG2-CG 4.47Å; I534-K536 PolarHBondContact O-N 3.29Å; K536-W538 HydrophobicContact CB-CD2 4.07Å; K536-W538 HydrophobicContact CB-CE3 4.39Å; K536-W538 HydrophobicContact CB-CH2 4.16Å; K536-W538 HydrophobicContact CB-CZ2 3.82Å; K536-W538 HydrophobicContact CB-CZ3 4.42Å; K536-W538 HydrophobicContact CD-CH2 4.47Å; K536-W538 HydrophobicContact CD-CZ2 3.7Å; K536-W538 HydrophobicContact CG-CH2 3.99Å; K536-W538 HydrophobicContact CG-CZ2 3.67Å; K536-W538 PolarHBondContact O-N 3.4Å; K536-W538 VanDerWaalsContact O-N 3.12Å; K536-L539 HydrophobicContact CB-CB 4.17Å; K536-L539 HydrophobicContact CB-CD1 4.03Å; K536-L539 HydrophobicContact CB-CG 3.98Å; K536-L539 HydrophobicContact CD-CD1 3.58Å; K536-L539 HydrophobicContact CD-CG 4.3Å; K536-L539 HydrophobicContact CG-CD1 4.41Å; K536-L539 PolarHBondContact O-N 3.38Å; K536-Q540 PolarHBondContact O-N 3.33Å
537P93.1Very high92.8Very high46 Ų4646.1 Ų46.130%0.29926%0.255SS..THydrogen-bonded Turntrans-54.9-34.5-178.4-24.929.5000114.4R125 W535 L539 Q540 F546R125-P537 PolarHBondContact NH2-O 3.49Å; W535-P537 HydrophobicContact CE3-CG 4.17Å; W535-P537 HydrophobicContact CH2-CB 4.05Å; W535-P537 HydrophobicContact CH2-CG 3.68Å; W535-P537 HydrophobicContact CZ2-CB 4.26Å; W535-P537 HydrophobicContact CZ2-CG 4.21Å; W535-P537 HydrophobicContact CZ3-CG 3.66Å; P537-L539 VanDerWaalsContact C-N 3.31Å; P537-L539 PolarHBondContact O-N 3.25Å; P537-Q540 PolarHBondContact O-N 2.84Å; P537-F546 HydrophobicContact CB-CE1 4.34Å; P537-F546 HydrophobicContact CB-CZ 3.96Å
538W94.3Very high92.4Very high146 Ų14652.3 Ų52.355%0.55328%0.282SS*.THydrogen-bonded Turntrans-73.9-20.4-179.759.592.1000113.6R125 K536R125-W538 WeakPolarHBondContact CB-O 3.32Å; R125-W538 PolarHBondContact N-O 3.45Å; R125-W538 PolarHBondContact NE-O 3.45Å; K536-W538 HydrophobicContact CB-CD2 4.07Å; K536-W538 HydrophobicContact CB-CE3 4.39Å; K536-W538 HydrophobicContact CB-CH2 4.16Å; K536-W538 HydrophobicContact CB-CZ2 3.82Å; K536-W538 HydrophobicContact CB-CZ3 4.42Å; K536-W538 HydrophobicContact CD-CH2 4.47Å; K536-W538 HydrophobicContact CD-CZ2 3.7Å; K536-W538 HydrophobicContact CG-CH2 3.99Å; K536-W538 HydrophobicContact CG-CZ2 3.67Å; K536-W538 PolarHBondContact O-N 3.4Å; K536-W538 VanDerWaalsContact O-N 3.12Å
539L96.1Very high92.3Very high0 Ų052.2 Ų52.20%028%0.281CS..THydrogen-bonded Turntrans-93-13.7175.2-61-174.8000113.3G88 A123 K536 P537 P541G88-L539 WeakPolarHBondContact O-CD1 3.47Å; A123-L539 WeakPolarHBondContact O-CD2 3.5Å; K536-L539 HydrophobicContact CB-CB 4.17Å; K536-L539 HydrophobicContact CB-CD1 4.03Å; K536-L539 HydrophobicContact CB-CG 3.98Å; K536-L539 HydrophobicContact CD-CD1 3.58Å; K536-L539 HydrophobicContact CD-CG 4.3Å; K536-L539 HydrophobicContact CG-CD1 4.41Å; K536-L539 PolarHBondContact O-N 3.38Å; P537-L539 VanDerWaalsContact C-N 3.31Å; P537-L539 PolarHBondContact O-N 3.25Å; L539-P541 WeakPolarHBondContact O-CD 3.21Å; L539-P541 VanDerWaalsContact O-N 3.11Å
540Q95.9Very high92.3Very high0 Ų052.5 Ų52.50%029%0.289CS..  trans-59.4115.4-174.8-176.65456.300111.3W221 K536 P537 C542 F546W221-Q540 VanDerWaalsContact CB-CD 3.48Å; W221-Q540 HydrophobicContact CB-CG 4.33Å; W221-Q540 VanDerWaalsContact CB-NE2 3.32Å; W221-Q540 HydrophobicContact CD2-CG 4.22Å; W221-Q540 HydrophobicContact CG-CG 3.9Å; W221-Q540 PolarHBondContact O-NE2 3.41Å; K536-Q540 PolarHBondContact O-N 3.33Å; P537-Q540 PolarHBondContact O-N 2.84Å; Q540-C542 PolarHBondContact O-N 3.36Å; Q540-F546 HydrophobicContact CB-CD2 4.3Å; Q540-F546 HydrophobicContact CB-CE2 3.83Å; Q540-F546 HydrophobicContact CG-CD2 4.22Å; Q540-F546 HydrophobicContact CG-CE2 3.82Å
541P95.4Very high92.5Very high5 Ų549.3 Ų49.33%0.03227%0.271CS..  trans-61.6135.7172.725.1-35.8000110.2L86 L120 I224 I231 Q234 L539L86-P541 HydrophobicContact CB-CG 3.81Å; L86-P541 HydrophobicContact CD1-CG 4.22Å; L120-P541 HydrophobicContact CD2-CB 3.88Å; L120-P541 HydrophobicContact CD2-CG 3.73Å; I224-P541 HydrophobicContact CD1-CB 4.04Å; I224-P541 HydrophobicContact CD1-CG 3.92Å; I231-P541 HydrophobicContact CD1-CB 3.75Å; Q234-P541 PolarHBondContact NE2-O 2.94Å; L539-P541 WeakPolarHBondContact O-CD 3.21Å; L539-P541 VanDerWaalsContact O-N 3.11Å
542C95Very high92.5Very high25 Ų2545.8 Ų45.817%0.16926%0.258CS..  trans-149.6116.8-172.6-165.20000110.9Q540 F546 C549Q540-C542 PolarHBondContact O-N 3.36Å; C542-F546 HydrophobicContact CB-CB 4.41Å; C542-F546 VanDerWaalsContact SG-CA 3.51Å; C542-F546 PolarHBondContact SG-N 3.3Å; C542-F546 VanDerWaalsContact SG-N 3.4Å; C542-C549 VanDerWaalsContact CA-SG 3.52Å; C542-C549 HydrophobicContact CB-CB 3.96Å; C542-C549 WeakPolarHBondContact CB-SG 3.33Å; C542-C549 WeakPolarHBondContact SG-CA 3.06Å; C542-C549 WeakPolarHBondContact SG-CB 3.4Å; C542-C549 CovalentContact SG-SG 2.03Å; C542-C549 PolarHBondContact SG-SG 3.2Å
543C93.8Very high92.4Very high14 Ų1447.9 Ų47.910%0.09527%0.266CS..SBendtrans-81.8121.3163.8-155.10000108I231 Q234 C549 G550 C551I231-C543 HydrophobicContact CB-CB 4.23Å; I231-C543 HydrophobicContact CG2-CB 4.12Å; Q234-C543 HydrophobicContact CB-CB 4.35Å; Q234-C543 VanDerWaalsContact OE1-CB 3.3Å; C543-C549 CarbonylContact O-C 3.54Å; C543-C549 WeakPolarHBondContact O-CA 3.38Å; C543-G550 PolarHBondContact O-N 2.99Å; C543-C551 HydrophobicContact CB-CB 3.84Å; C543-C551 WeakPolarHBondContact CB-SG 3.41Å; C543-C551 WeakPolarHBondContact SG-CB 3.38Å; C543-C551 CovalentContact SG-SG 2.03Å; C543-C551 PolarHBondContact SG-SG 3.16Å
544G89.4Confident91.9Very high63 Ų6347.8 Ų47.865%0.64927%0.265SS*.SBendtrans81.1-144.1-173.600000113.5
545T89.8Confident90.8Very high114 Ų11447 Ų4770%0.69926%0.262SS*.SBendtrans-97.1118.7-169-52.40000112.1F548T545-F548 CarbonylContact O-C 3.57Å; T545-F548 WeakPolarHBondContact O-CA 3.36Å; T545-F548 PolarHBondContact O-N 3.02Å
546F90.1Very high89.3Confident63 Ų6350.1 Ų50.128%0.27628%0.281SS..THydrogen-bonded Turntrans-67.1138173.7-179.6-90.8000110.9W221 W535 P537 Q540 C542W221-F546 HydrophobicContact CZ2-CE2 4.05Å; W221-F546 HydrophobicContact CZ2-CZ 4.29Å; W535-F546 HydrophobicContact CH2-CZ 4.26Å; W535-F546 HydrophobicContact CZ2-CE2 4.28Å; W535-F546 HydrophobicContact CZ2-CZ 4.08Å; P537-F546 HydrophobicContact CB-CE1 4.34Å; P537-F546 HydrophobicContact CB-CZ 3.96Å; Q540-F546 HydrophobicContact CB-CD2 4.3Å; Q540-F546 HydrophobicContact CB-CE2 3.83Å; Q540-F546 HydrophobicContact CG-CD2 4.22Å; Q540-F546 HydrophobicContact CG-CE2 3.82Å; C542-F546 HydrophobicContact CB-CB 4.41Å; C542-F546 VanDerWaalsContact SG-CA 3.51Å; C542-F546 PolarHBondContact SG-N 3.3Å; C542-F546 VanDerWaalsContact SG-N 3.4Å
547P87.4Confident87.6Confident41 Ų4151.7 Ų51.727%0.26629%0.289SS..THydrogen-bonded Turncis-87.1-7.75.833-35.1000115.6W221 C549W221-P547 HydrophobicContact CZ2-CB 3.88Å; W221-P547 PolarHBondContact NE1-O 3.28Å; W221-P547 VanDerWaalsContact NE1-O 3.16Å; P547-C549 PolarHBondContact O-N 3.1Å
548F89.3Confident85.6Confident144 Ų14452.9 Ų52.963%0.63229%0.293SS*.SBendtrans-84.152.1-175.1-54.5-71.4000112.8F217 T545 G550F217-F548 HydrophobicContact CE1-CD1 4.19Å; F217-F548 HydrophobicContact CE1-CE1 4.12Å; F217-F548 HydrophobicContact CZ-CE1 4.13Å; T545-F548 CarbonylContact O-C 3.57Å; T545-F548 WeakPolarHBondContact O-CA 3.36Å; T545-F548 PolarHBondContact O-N 3.02Å; F548-G550 PolarHBondContact O-N 3.35Å
549C91.9Very high82.7Confident0 Ų053.1 Ų53.10%030%0.304CS..  trans-61.1133.9-178-47.90000111.3Q234 C542 C543 P547Q234-C549 HydrophobicContact CG-CB 4.28Å; C542-C549 VanDerWaalsContact CA-SG 3.52Å; C542-C549 HydrophobicContact CB-CB 3.96Å; C542-C549 WeakPolarHBondContact CB-SG 3.33Å; C542-C549 WeakPolarHBondContact SG-CA 3.06Å; C542-C549 WeakPolarHBondContact SG-CB 3.4Å; C542-C549 CovalentContact SG-SG 2.03Å; C542-C549 PolarHBondContact SG-SG 3.2Å; C543-C549 CarbonylContact O-C 3.54Å; C543-C549 WeakPolarHBondContact O-CA 3.38Å; P547-C549 PolarHBondContact O-N 3.1Å
550G93.6Very high79.9Confident36 Ų3658.4 Ų58.437%0.37134%0.337SS..  trans-173.9141.5172.200000114.6Q234 C543 F548Q234-G550 CarbonylContact O-C 3.36Å; Q234-G550 WeakPolarHBondContact O-CA 3.36Å; C543-G550 PolarHBondContact O-N 2.99Å; F548-G550 PolarHBondContact O-N 3.35Å
551C93.9Very high76.7Confident29 Ų2961.7 Ų61.720%0.19636%0.364CS..EExtended strand (participates in β ladder)trans-166.5164.3167.863.10000111.3I231 Q233 Q234 C543 K553I231-C551 PolarHBondContact O-SG 3.41Å; Q233-C551 WeakPolarHBondContact CA-O 3.35Å; Q234-C551 PolarHBondContact N-O 3.4Å; Q234-C551 PolarHBondContact O-N 3.44Å; C543-C551 HydrophobicContact CB-CB 3.84Å; C543-C551 WeakPolarHBondContact CB-SG 3.41Å; C543-C551 WeakPolarHBondContact SG-CB 3.38Å; C543-C551 CovalentContact SG-SG 2.03Å; C543-C551 PolarHBondContact SG-SG 3.16Å; C551-K553 HydrophobicContact CB-CG 4.47Å
552D92.8Very high73.9Confident63 Ų6371 Ų7134%0.33743%0.425SS..EExtended strand (participates in β ladder)trans-14893.8174.5-171.423000108.4Q233 K237Q233-D552 PolarHBondContact NE2-OD1 3.37Å; K237-D552 WeakPolarHBondContact CE-OD2 3.5Å; K237-D552 IonicContact NZ-OD1 2.57Å; K237-D552 IonicContact NZ-OD2 2.8Å; K237-D552 PolarHBondContact NZ-OD2 3.17Å
553K90.2Very high72.8Confident70 Ų7073.4 Ų73.430%0.30444%0.437SS..  trans-105.9-2.5-174.9-55.5-174.5-175.1-174.30112.8E230 I232 C551 D555 D556 I557E230-K553 WeakPolarHBondContact OE1-CD 3.2Å; E230-K553 IonicContact OE1-NZ 3.99Å; E230-K553 PolarHBondContact OE1-NZ 3.05Å; I232-K553 PolarHBondContact O-N 2.87Å; C551-K553 HydrophobicContact CB-CG 4.47Å; K553-D555 VanDerWaalsContact C-N 3.34Å; K553-D555 PolarHBondContact O-N 3.31Å; K553-D556 PolarHBondContact O-N 3.39Å; K553-I557 HydrophobicContact CB-CD1 4.13Å; K553-I557 WeakPolarHBondContact O-CD1 3.02Å; K553-I557 VanDerWaalsContact O-CG1 3.26Å; K553-I557 WeakPolarHBondContact O-CG1 3.17Å; K553-I557 PolarHBondContact O-N 3.31Å; K553-I557 VanDerWaalsContact O-N 3.09Å
554E82.3Confident71.7Confident4 Ų476.5 Ų76.52%0.01946%0.455CS..Hα-helixtrans-64-40.7-171.9-174.360.8-165.300111.9Y141 R227 I232 L244 L558Y141-E554 PolarHBondContact OH-OE1 2.71Å; R227-E554 IonicContact NH2-OE1 3.74Å; R227-E554 PolarHBondContact NH2-OE1 3.17Å; R227-E554 IonicContact NH2-OE2 2.76Å; R227-E554 PolarHBondContact NH2-OE2 2.92Å; I232-E554 WeakPolarHBondContact CD1-OE2 3.49Å; L244-E554 HydrophobicContact CD1-CG 3.93Å; L244-E554 HydrophobicContact CD2-CG 4.12Å; E554-L558 WeakPolarHBondContact O-CG 3.17Å; E554-L558 PolarHBondContact O-N 2.85Å
555D66.9Low70.7Confident80 Ų8077.2 Ų77.243%0.42845%0.445SS..Hα-helixtrans-72.6-29178.6-65.5-34.8000111.8K553K553-D555 VanDerWaalsContact C-N 3.34Å; K553-D555 PolarHBondContact O-N 3.31Å
556D59.7Low69.6Low103 Ų10375.1 Ų75.155%0.55143%0.43SS*.Hα-helixtrans-73.9-32.3177.7-64.7-27.2000112.7K553 T560K553-D556 PolarHBondContact O-N 3.39Å; D556-T560 PolarHBondContact O-OG1 3.07Å; D556-T560 VanDerWaalsContact O-OG1 3.04Å
557I58.2Low68.3Low39 Ų3975.8 Ų75.820%0.244%0.439CS..Hα-helixtrans-75.6-28.4178.6-64.7163.8000111.1R227 I232 K553 L559 T560 A561R227-I557 VanDerWaalsContact NH1-CG2 3.31Å; I232-I557 HydrophobicContact CG2-CD1 3.7Å; K553-I557 HydrophobicContact CB-CD1 4.13Å; K553-I557 WeakPolarHBondContact O-CD1 3.02Å; K553-I557 VanDerWaalsContact O-CG1 3.26Å; K553-I557 WeakPolarHBondContact O-CG1 3.17Å; K553-I557 PolarHBondContact O-N 3.31Å; K553-I557 VanDerWaalsContact O-N 3.09Å; I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 3.34Å; I557-T560 WeakPolarHBondContact CA-OG1 3.38Å; I557-T560 PolarHBondContact O-N 3.27Å; I557-T560 PolarHBondContact O-OG1 3.31Å; I557-A561 PolarHBondContact O-N 2.98Å
558L52.3Low67.1Low71 Ų7178.1 Ų78.137%0.37245%0.451SS..Hα-helixtrans-70.8-25.1175.3-73175.5000113.5E554E554-L558 WeakPolarHBondContact O-CG 3.17Å; E554-L558 PolarHBondContact O-N 2.85Å
559L33.5Very low65.5Low151 Ų15173.4 Ų73.479%0.79144%0.438SS*.THydrogen-bonded Turntrans-83-12.2175.9-72.3164.1000113.4I557I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 3.34Å
560T35.8Very low63.4Low111 Ų11179.1 Ų79.168%0.68147%0.472SS*.THydrogen-bonded Turntrans-116.42-175.247.80000114D556 I557D556-T560 PolarHBondContact O-OG1 3.07Å; D556-T560 VanDerWaalsContact O-OG1 3.04Å; I557-T560 WeakPolarHBondContact CA-OG1 3.38Å; I557-T560 PolarHBondContact O-N 3.27Å; I557-T560 PolarHBondContact O-OG1 3.31Å
561A30.5Very low60.9Low69 Ų6982.7 Ų82.757%0.5748%0.48SS*.  trans-75.1122.1170.400000109.7I557I557-A561 PolarHBondContact O-N 2.98Å
562P35.3Very low57.9Low202 Ų20287.5 Ų87.5100%1.31251%0.506SS*.  trans-67.90-179.527.7-33.9000113.7

Retrieved 562 of 562 residues in 145.4 ms (Link to these results)

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