A0A077Z5D3_TRITR Loading...

Glycerophosphodiester phosphodiesterase 1

AlphaFold DB , UniProt , Accession A0A077Z5D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 333 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
1M45.8Very low48.5Very low182 Ų182106.1 Ų106.190%0.89752%0.523SS*.  0-430-142.2178.5-7400113.4R5M1-R5 PolarHBondContact O-N 2.62Å
2F37.6Very low49.5Very low140 Ų14099.7 Ų99.761%0.61449%0.49SS*.Hα-helixtrans-64.1-43.5178.1-142.4-94.4000113.5Q4 R5 F6 Y225F2-Q4 PolarHBondContact O-N 3.31Å; F2-R5 PolarHBondContact O-N 2.86Å; F2-F6 WeakPolarHBondContact O-CB 3.29Å; F2-F6 PolarHBondContact O-N 3.49Å; F2-Y225 HydrophobicContact CZ-CD1 4.21Å
3A37Very low50.5Low80 Ų8094.9 Ų94.966%0.66147%0.467SS*.Hα-helixtrans-63.8-38.6178.900000113.4F6 C7A3-F6 PolarHBondContact O-N 3.29Å; A3-C7 VanDerWaalsContact O-CB 3.31Å; A3-C7 WeakPolarHBondContact O-CB 3.37Å; A3-C7 PolarHBondContact O-N 3.03Å
4Q40.3Very low51.2Low138 Ų13894.5 Ų94.565%0.64547%0.472SS*.Hα-helixtrans-63.8-46.8176.3-106.3170.9-25.400111.2F2 F6 C7 W8F2-Q4 PolarHBondContact O-N 3.31Å; Q4-F6 PolarHBondContact O-N 3.1Å; Q4-C7 PolarHBondContact O-N 2.98Å; Q4-W8 PolarHBondContact O-N 2.71Å; Q4-W8 VanDerWaalsContact O-N 3.12Å
5R49.4Very low51.8Low169 Ų16994 Ų9464%0.63847%0.468SS*.Hα-helixtrans-66-35.6178.9-70.8-174.1170.1-169.7-3.1113M1 F2 F9M1-R5 PolarHBondContact O-N 2.62Å; F2-R5 PolarHBondContact O-N 2.86Å; R5-F9 PolarHBondContact O-N 2.85Å
6F48.9Very low52.5Low88 Ų8888.8 Ų88.839%0.38644%0.442SS..Hα-helixtrans-70.3-35.6175.3-150.9-91.1000112.3F2 A3 Q4 F9 A10 Y225 L230F2-F6 WeakPolarHBondContact O-CB 3.29Å; F2-F6 PolarHBondContact O-N 3.49Å; A3-F6 PolarHBondContact O-N 3.29Å; Q4-F6 PolarHBondContact O-N 3.1Å; F6-F9 PolarHBondContact O-N 2.82Å; F6-A10 PolarHBondContact O-N 2.89Å; F6-Y225 HydrophobicContact CD2-CE1 4.49Å; F6-L230 HydrophobicContact CE2-CD1 4.49Å; F6-L230 HydrophobicContact CE2-CD2 3.78Å
7C48.6Very low53.1Low68 Ų6887.2 Ų87.246%0.45944%0.441SS..Hα-helixtrans-64.9-44.9176.5-156.80000111.2A3 Q4 F9 A10 I11A3-C7 VanDerWaalsContact O-CB 3.31Å; A3-C7 WeakPolarHBondContact O-CB 3.37Å; A3-C7 PolarHBondContact O-N 3.03Å; Q4-C7 PolarHBondContact O-N 2.98Å; C7-F9 VanDerWaalsContact C-N 3.28Å; C7-F9 PolarHBondContact O-N 2.72Å; C7-A10 PolarHBondContact O-N 3.21Å; C7-I11 WeakPolarHBondContact O-CB 3.43Å; C7-I11 WeakPolarHBondContact O-CD1 3.33Å; C7-I11 WeakPolarHBondContact O-CG1 3.26Å; C7-I11 PolarHBondContact O-N 3.4Å
8W54.6Low53.5Low156 Ų15686.1 Ų86.159%0.59144%0.44SS*.Hα-helixtrans-58.9-40.2173.7-80.6103.1000112.5Q4 F12 W159Q4-W8 PolarHBondContact O-N 2.71Å; Q4-W8 VanDerWaalsContact O-N 3.12Å; W8-F12 VanDerWaalsContact O-CB 3.25Å; W8-F12 WeakPolarHBondContact O-CB 3.45Å; W8-F12 PolarHBondContact O-N 2.97Å; W8-W159 HydrophobicContact CH2-CZ3 4.27Å; W8-W159 HydrophobicContact CZ3-CZ3 4.13Å
9F55.6Low53.9Low28 Ų2882.5 Ų82.512%0.12342%0.422CS..Hα-helixtrans-66.3-45.4177.3-176.1-98000112.4R5 F6 C7 F12 M13 F213 L234R5-F9 PolarHBondContact O-N 2.85Å; F6-F9 PolarHBondContact O-N 2.82Å; C7-F9 VanDerWaalsContact C-N 3.28Å; C7-F9 PolarHBondContact O-N 2.72Å; F9-F12 PolarHBondContact O-N 3.47Å; F9-M13 HydrophobicContact CD1-CG 4.13Å; F9-M13 HydrophobicContact CE1-CE 3.68Å; F9-M13 HydrophobicContact CE1-CG 3.62Å; F9-M13 HydrophobicContact CE1-SD 4.44Å; F9-M13 HydrophobicContact CE2-CE 4.23Å; F9-M13 HydrophobicContact CE2-CG 4.33Å; F9-M13 HydrophobicContact CZ-CE 3.23Å; F9-M13 HydrophobicContact CZ-CG 3.7Å; F9-M13 HydrophobicContact CZ-SD 4.07Å; F9-M13 WeakPolarHBondContact O-CB 3.39Å; F9-M13 WeakPolarHBondContact O-CG 3.43Å; F9-M13 PolarHBondContact O-N 3.06Å; F9-F213 HydrophobicContact CE2-CB 4.03Å; F9-F213 AromaticContact CE2-CD1 3.77Å; F9-F213 HydrophobicContact CE2-CD1 3.77Å; F9-F213 HydrophobicContact CE2-CG 4.16Å; F9-L234 HydrophobicContact CE1-CD2 3.46Å; F9-L234 VanDerWaalsContact CE1-CD2 3.46Å; F9-L234 HydrophobicContact CE2-CD2 3.74Å; F9-L234 HydrophobicContact CZ-CD2 2.96Å; F9-L234 HydrophobicContact CZ-CG 4.38Å
10A56.4Low54.3Low44 Ų4479.1 Ų79.136%0.36441%0.405SS..Hα-helixtrans-65.4-40.2176.300000112F6 C7 M13 V14F6-A10 PolarHBondContact O-N 2.89Å; C7-A10 PolarHBondContact O-N 3.21Å; A10-M13 WeakPolarHBondContact O-CB 3.46Å; A10-M13 PolarHBondContact O-N 3.05Å; A10-V14 WeakPolarHBondContact O-CB 3.49Å; A10-V14 VanDerWaalsContact O-CG2 3.29Å; A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 3.46Å
11I59.3Low54.8Low74 Ų7480.1 Ų80.138%0.37941%0.411SS..Hα-helixtrans-63.4-46.8175.3-69.3164.3000110C7 M13 V14 Q15C7-I11 WeakPolarHBondContact O-CB 3.43Å; C7-I11 WeakPolarHBondContact O-CD1 3.33Å; C7-I11 WeakPolarHBondContact O-CG1 3.26Å; C7-I11 PolarHBondContact O-N 3.4Å; I11-M13 VanDerWaalsContact C-N 3.31Å; I11-M13 PolarHBondContact O-N 3.41Å; I11-V14 PolarHBondContact O-N 3.45Å; I11-Q15 HydrophobicContact CG2-CG 4.26Å; I11-Q15 VanDerWaalsContact O-CB 3.31Å; I11-Q15 WeakPolarHBondContact O-CB 3.36Å; I11-Q15 VanDerWaalsContact O-CG 3.27Å; I11-Q15 WeakPolarHBondContact O-CG 3.33Å; I11-Q15 PolarHBondContact O-N 3.42Å
12F60.6Low55.5Low29 Ų2974.5 Ų74.513%0.12739%0.387CS..Hα-helixtrans-60.8-41.7176-177-87.9000111.3W8 F9 Q15 L16 H188 F213W8-F12 VanDerWaalsContact O-CB 3.25Å; W8-F12 WeakPolarHBondContact O-CB 3.45Å; W8-F12 PolarHBondContact O-N 2.97Å; F9-F12 PolarHBondContact O-N 3.47Å; F12-Q15 PolarHBondContact O-N 3.49Å; F12-L16 HydrophobicContact CD1-CB 4.48Å; F12-L16 HydrophobicContact CE1-CB 4.22Å; F12-L16 HydrophobicContact CE1-CD1 4.47Å; F12-L16 HydrophobicContact CE1-CD2 3.8Å; F12-L16 HydrophobicContact CE1-CG 4.38Å; F12-L16 HydrophobicContact CZ-CD1 4.38Å; F12-L16 HydrophobicContact CZ-CD2 4.48Å; F12-L16 WeakPolarHBondContact O-CB 3.19Å; F12-L16 PolarHBondContact O-N 3.5Å; F12-H188 AromaticContact CE2-ND1 3.84Å; F12-F213 AromaticContact CD1-CE1 3.77Å; F12-F213 HydrophobicContact CD1-CE1 3.77Å; F12-F213 HydrophobicContact CD1-CZ 4.37Å; F12-F213 AromaticContact CE1-CE1 3.31Å; F12-F213 HydrophobicContact CE1-CE1 3.31Å; F12-F213 AromaticContact CE1-CZ 3.56Å; F12-F213 HydrophobicContact CE1-CZ 3.56Å; F12-F213 HydrophobicContact CZ-CE1 4.12Å; F12-F213 HydrophobicContact CZ-CZ 4.29Å
13M62.9Low56.7Low38 Ų3868.6 Ų68.619%0.18736%0.361CS..Hα-helixtrans-62.7-44.6176.3-78.5-66.6-144.500112.8F9 A10 I11 S17 L234 F237F9-M13 HydrophobicContact CD1-CG 4.13Å; F9-M13 HydrophobicContact CE1-CE 3.68Å; F9-M13 HydrophobicContact CE1-CG 3.62Å; F9-M13 HydrophobicContact CE1-SD 4.44Å; F9-M13 HydrophobicContact CE2-CE 4.23Å; F9-M13 HydrophobicContact CE2-CG 4.33Å; F9-M13 HydrophobicContact CZ-CE 3.23Å; F9-M13 HydrophobicContact CZ-CG 3.7Å; F9-M13 HydrophobicContact CZ-SD 4.07Å; F9-M13 WeakPolarHBondContact O-CB 3.39Å; F9-M13 WeakPolarHBondContact O-CG 3.43Å; F9-M13 PolarHBondContact O-N 3.06Å; A10-M13 WeakPolarHBondContact O-CB 3.46Å; A10-M13 PolarHBondContact O-N 3.05Å; I11-M13 VanDerWaalsContact C-N 3.31Å; I11-M13 PolarHBondContact O-N 3.41Å; M13-S17 WeakPolarHBondContact O-CB 3.31Å; M13-S17 PolarHBondContact O-N 3.08Å; M13-S17 PolarHBondContact O-OG 3.27Å; M13-L234 HydrophobicContact CE-CD2 4.41Å; M13-F237 HydrophobicContact CE-CB 4.21Å; M13-F237 HydrophobicContact CE-CD1 3.21Å; M13-F237 HydrophobicContact CE-CD2 3.57Å; M13-F237 HydrophobicContact CE-CE1 3.3Å; M13-F237 HydrophobicContact CE-CE2 3.65Å; M13-F237 HydrophobicContact CE-CG 3.34Å; M13-F237 HydrophobicContact CE-CZ 3.53Å; M13-F237 HydrophobicContact SD-CD1 3.93Å; M13-F237 HydrophobicContact SD-CD2 4.15Å; M13-F237 HydrophobicContact SD-CE1 3.32Å; M13-F237 WeakPolarHBondContact SD-CE1 3.47Å; M13-F237 HydrophobicContact SD-CE2 3.57Å; M13-F237 VanDerWaalsContact SD-CE2 3.57Å; M13-F237 HydrophobicContact SD-CG 4.3Å; M13-F237 HydrophobicContact SD-CZ 3.12Å; M13-F237 WeakPolarHBondContact SD-CZ 3.18Å
14V59.7Low57.9Low89 Ų8969.8 Ų69.854%0.53936%0.355SS..Hα-helixtrans-65.5-46.2176171.10000109.8A10 I11 L16 S17 T18A10-V14 WeakPolarHBondContact O-CB 3.49Å; A10-V14 VanDerWaalsContact O-CG2 3.29Å; A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 3.46Å; I11-V14 PolarHBondContact O-N 3.45Å; V14-L16 PolarHBondContact O-N 2.94Å; V14-S17 PolarHBondContact O-N 3.27Å; V14-S17 PolarHBondContact O-OG 2.87Å; V14-S17 VanDerWaalsContact O-OG 3.08Å; V14-T18 HydrophobicContact CG1-CG2 4.24Å; V14-T18 WeakPolarHBondContact O-CB 3.43Å; V14-T18 VanDerWaalsContact O-CG2 3.24Å; V14-T18 WeakPolarHBondContact O-CG2 3.3Å; V14-T18 PolarHBondContact O-N 3.45Å; V14-T18 PolarHBondContact O-OG1 3.47Å
15Q60.7Low58.7Low87 Ų8767.8 Ų67.841%0.40735%0.352SS..Hα-helixtrans-60.5-44.6176.7-76.5178.5-32.300111.5I11 F12 T18 T19I11-Q15 HydrophobicContact CG2-CG 4.26Å; I11-Q15 VanDerWaalsContact O-CB 3.31Å; I11-Q15 WeakPolarHBondContact O-CB 3.36Å; I11-Q15 VanDerWaalsContact O-CG 3.27Å; I11-Q15 WeakPolarHBondContact O-CG 3.33Å; I11-Q15 PolarHBondContact O-N 3.42Å; F12-Q15 PolarHBondContact O-N 3.49Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.23Å; Q15-T18 PolarHBondContact O-OG1 3Å; Q15-T18 VanDerWaalsContact O-OG1 3.07Å; Q15-T19 WeakPolarHBondContact O-CA 3.36Å; Q15-T19 WeakPolarHBondContact O-CB 3.45Å; Q15-T19 PolarHBondContact O-N 2.91Å; Q15-T19 PolarHBondContact O-OG1 3.36Å
16L62.2Low59.1Low11 Ų1167.3 Ų67.36%0.05836%0.355CS..Hα-helixtrans-69.1-42.6-177.8-171.370.9000112F12 V14 T19 V20 F237 Y241F12-L16 HydrophobicContact CD1-CB 4.48Å; F12-L16 HydrophobicContact CE1-CB 4.22Å; F12-L16 HydrophobicContact CE1-CD1 4.47Å; F12-L16 HydrophobicContact CE1-CD2 3.8Å; F12-L16 HydrophobicContact CE1-CG 4.38Å; F12-L16 HydrophobicContact CZ-CD1 4.38Å; F12-L16 HydrophobicContact CZ-CD2 4.48Å; F12-L16 WeakPolarHBondContact O-CB 3.19Å; F12-L16 PolarHBondContact O-N 3.5Å; V14-L16 PolarHBondContact O-N 2.94Å; L16-T19 PolarHBondContact O-N 3.36Å; L16-V20 WeakPolarHBondContact O-CB 3.15Å; L16-V20 WeakPolarHBondContact O-CG2 3.22Å; L16-V20 PolarHBondContact O-N 3.35Å; L16-F237 HydrophobicContact CD2-CE1 4.24Å; L16-F237 HydrophobicContact CD2-CZ 3.83Å; L16-Y241 HydrophobicContact CD1-CD2 4.19Å; L16-Y241 HydrophobicContact CD1-CE2 3.3Å; L16-Y241 HydrophobicContact CD2-CD2 3.19Å; L16-Y241 HydrophobicContact CD2-CE2 3.16Å; L16-Y241 HydrophobicContact CD2-CG 4.05Å; L16-Y241 HydrophobicContact CG-CD2 4.06Å; L16-Y241 HydrophobicContact CG-CE2 3.67Å
17S63.3Low59.3Low61 Ų6164.7 Ų64.743%0.42735%0.353SS..Hα-helixtrans-67.7-40.8176.354.70000112M13 V14 I21M13-S17 WeakPolarHBondContact O-CB 3.31Å; M13-S17 PolarHBondContact O-N 3.08Å; M13-S17 PolarHBondContact O-OG 3.27Å; V14-S17 PolarHBondContact O-N 3.27Å; V14-S17 PolarHBondContact O-OG 2.87Å; V14-S17 VanDerWaalsContact O-OG 3.08Å; S17-I21 WeakPolarHBondContact O-CB 3.42Å; S17-I21 WeakPolarHBondContact O-CD1 3.37Å; S17-I21 WeakPolarHBondContact O-CG1 3.47Å; S17-I21 PolarHBondContact O-N 2.96Å
18T60.5Low59.5Low67 Ų6766.9 Ų66.941%0.41137%0.368SS..Hα-helixtrans-69.1-39.5174.757.80000111.6V14 Q15 I21 V22V14-T18 HydrophobicContact CG1-CG2 4.24Å; V14-T18 WeakPolarHBondContact O-CB 3.43Å; V14-T18 VanDerWaalsContact O-CG2 3.24Å; V14-T18 WeakPolarHBondContact O-CG2 3.3Å; V14-T18 PolarHBondContact O-N 3.45Å; V14-T18 PolarHBondContact O-OG1 3.47Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.23Å; Q15-T18 PolarHBondContact O-OG1 3Å; Q15-T18 VanDerWaalsContact O-OG1 3.07Å; T18-I21 PolarHBondContact O-N 3.43Å; T18-V22 VanDerWaalsContact O-CB 3.25Å; T18-V22 WeakPolarHBondContact O-CB 3.16Å; T18-V22 WeakPolarHBondContact O-CG2 3.33Å; T18-V22 PolarHBondContact O-N 3.26Å
19T60.2Low59.6Low18 Ų1866.5 Ų66.511%0.1137%0.37CS..Hα-helixtrans-62.9-44.5176.7-69.30000111.3Q15 L16 V22 M23 M190Q15-T19 WeakPolarHBondContact O-CA 3.36Å; Q15-T19 WeakPolarHBondContact O-CB 3.45Å; Q15-T19 PolarHBondContact O-N 2.91Å; Q15-T19 PolarHBondContact O-OG1 3.36Å; L16-T19 PolarHBondContact O-N 3.36Å; T19-V22 PolarHBondContact O-N 3.44Å; T19-M23 HydrophobicContact CG2-CE 3.34Å; T19-M23 HydrophobicContact CG2-CG 4.31Å; T19-M23 HydrophobicContact CG2-SD 3.77Å; T19-M23 VanDerWaalsContact O-CB 3.29Å; T19-M23 WeakPolarHBondContact O-CB 3.17Å; T19-M23 WeakPolarHBondContact O-CG 3.45Å; T19-M23 PolarHBondContact O-N 2.98Å; T19-M190 HydrophobicContact CG2-CG 4.24Å; T19-M190 HydrophobicContact CG2-SD 3.38Å; T19-M190 WeakPolarHBondContact CG2-SD 3.12Å; T19-M190 PolarHBondContact OG1-SD 3.01Å
20V62.8Low59.8Low14 Ų1468.3 Ų68.39%0.08538%0.381CS..Hα-helixtrans-64.6-44.4176.9168.70000110.6L16 M23 I24 L244 V249L16-V20 WeakPolarHBondContact O-CB 3.15Å; L16-V20 WeakPolarHBondContact O-CG2 3.22Å; L16-V20 PolarHBondContact O-N 3.35Å; V20-M23 PolarHBondContact O-N 3.36Å; V20-I24 HydrophobicContact CG1-CD1 3.61Å; V20-I24 HydrophobicContact CG1-CG1 4.35Å; V20-I24 WeakPolarHBondContact O-CB 3.38Å; V20-I24 WeakPolarHBondContact O-CG1 3.43Å; V20-I24 PolarHBondContact O-N 2.99Å; V20-L244 HydrophobicContact CB-CD2 4.21Å; V20-L244 HydrophobicContact CG1-CD1 3.75Å; V20-L244 HydrophobicContact CG1-CD2 3.89Å; V20-L244 HydrophobicContact CG1-CG 4.28Å; V20-L244 HydrophobicContact CG2-CD1 4.42Å; V20-L244 HydrophobicContact CG2-CD2 3.47Å; V20-L244 VanDerWaalsContact CG2-CD2 3.47Å; V20-L244 HydrophobicContact CG2-CG 4.07Å; V20-V249 HydrophobicContact CG2-CG2 4.28Å
21I64.3Low59.9Low101 Ų10172.3 Ų72.352%0.51840%0.396SS..Hα-helixtrans-62.7-44.9176.6-70.5165.5000110.4S17 T18 M23 I24 V25S17-I21 WeakPolarHBondContact O-CB 3.42Å; S17-I21 WeakPolarHBondContact O-CD1 3.37Å; S17-I21 WeakPolarHBondContact O-CG1 3.47Å; S17-I21 PolarHBondContact O-N 2.96Å; T18-I21 PolarHBondContact O-N 3.43Å; I21-M23 VanDerWaalsContact C-N 3.34Å; I21-M23 PolarHBondContact O-N 2.94Å; I21-I24 PolarHBondContact O-N 3.37Å; I21-V25 HydrophobicContact CG2-CG2 4.05Å; I21-V25 VanDerWaalsContact O-CB 3.23Å; I21-V25 WeakPolarHBondContact O-CB 3.14Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 3.16Å
22V61.8Low60Low64 Ų6472.3 Ų72.339%0.38841%0.414SS..Hα-helixtrans-65.3-38.9179168.60000110.9T18 T19 F26T18-V22 VanDerWaalsContact O-CB 3.25Å; T18-V22 WeakPolarHBondContact O-CB 3.16Å; T18-V22 WeakPolarHBondContact O-CG2 3.33Å; T18-V22 PolarHBondContact O-N 3.26Å; T19-V22 PolarHBondContact O-N 3.44Å; V22-F26 HydrophobicContact CB-CD2 4.45Å; V22-F26 HydrophobicContact CG1-CD2 4.06Å; V22-F26 WeakPolarHBondContact O-CA 3.37Å; V22-F26 VanDerWaalsContact O-CB 3.3Å; V22-F26 WeakPolarHBondContact O-CB 3.38Å; V22-F26 PolarHBondContact O-N 2.82Å
23M62.2Low60.6Low17 Ų1774 Ų748%0.08442%0.424CS..Hα-helixtrans-66.6-40.5174.6-75.2171.3176.900112.2T19 V20 I21 G27 V193 T253T19-M23 HydrophobicContact CG2-CE 3.34Å; T19-M23 HydrophobicContact CG2-CG 4.31Å; T19-M23 HydrophobicContact CG2-SD 3.77Å; T19-M23 VanDerWaalsContact O-CB 3.29Å; T19-M23 WeakPolarHBondContact O-CB 3.17Å; T19-M23 WeakPolarHBondContact O-CG 3.45Å; T19-M23 PolarHBondContact O-N 2.98Å; V20-M23 PolarHBondContact O-N 3.36Å; I21-M23 VanDerWaalsContact C-N 3.34Å; I21-M23 PolarHBondContact O-N 2.94Å; M23-G27 WeakPolarHBondContact O-CA 3.47Å; M23-G27 PolarHBondContact O-N 3.23Å; M23-V193 HydrophobicContact CE-CG2 3.18Å; M23-T253 HydrophobicContact CE-CG2 3.43Å; M23-T253 VanDerWaalsContact CE-CG2 3.43Å; M23-T253 HydrophobicContact SD-CG2 4.19Å
24I62.2Low61.4Low105 Ų10576 Ų7654%0.53845%0.447SS..Hα-helixtrans-69.8-41.1177.6-68.8168.3000110.8V20 I21V20-I24 HydrophobicContact CG1-CD1 3.61Å; V20-I24 HydrophobicContact CG1-CG1 4.35Å; V20-I24 WeakPolarHBondContact O-CB 3.38Å; V20-I24 WeakPolarHBondContact O-CG1 3.43Å; V20-I24 PolarHBondContact O-N 2.99Å; I21-I24 PolarHBondContact O-N 3.37Å
25V57.3Low62.7Low95 Ų9577.4 Ų77.458%0.57645%0.448SS*.Hα-helixtrans-82-34.9-173.5175.30000112.1I21I21-V25 HydrophobicContact CG2-CG2 4.05Å; I21-V25 VanDerWaalsContact O-CB 3.23Å; I21-V25 WeakPolarHBondContact O-CB 3.14Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 3.16Å
26F56.8Low64.2Low160 Ų16073.9 Ų73.970%0.70243%0.431SS*.Hα-helixtrans-119.9-4.5-173.7-60-79.3000114.4V22 C28V22-F26 HydrophobicContact CB-CD2 4.45Å; V22-F26 HydrophobicContact CG1-CD2 4.06Å; V22-F26 WeakPolarHBondContact O-CA 3.37Å; V22-F26 VanDerWaalsContact O-CB 3.3Å; V22-F26 WeakPolarHBondContact O-CB 3.38Å; V22-F26 PolarHBondContact O-N 2.82Å; F26-C28 PolarHBondContact O-N 3.38Å
27G54Low65.5Low33 Ų3376.6 Ų76.634%0.3445%0.45SS..  trans-73.594.5179.600000111.5M23 K29M23-G27 WeakPolarHBondContact O-CA 3.47Å; M23-G27 PolarHBondContact O-N 3.23Å; G27-K29 PolarHBondContact O-N 3.41Å
28C52.1Low66.9Low114 Ų11478 Ų7877%0.7745%0.453SS*.  trans-54.6126.5143.4-80.10000106.4F26 I30F26-C28 PolarHBondContact O-N 3.38Å; C28-I30 PolarHBondContact O-N 3.16Å
29K57.7Low68.6Low148 Ų14875.8 Ų75.864%0.64344%0.438SS*.  trans-48.3121.8166.7-177.1-177.2177.9-172.50106.7G27 D31G27-K29 PolarHBondContact O-N 3.41Å; K29-D31 VanDerWaalsContact C-N 3.34Å; K29-D31 PolarHBondContact O-N 3.37Å
30I59.6Low70.2Confident66 Ų6675.8 Ų75.834%0.33844%0.437SS..  trans-72.3100.8176.6-56.3180000104.6C28 G32 E196C28-I30 PolarHBondContact O-N 3.16Å; I30-G32 PolarHBondContact O-N 3.44Å; I30-E196 HydrophobicContact CD1-CB 4.36Å; I30-E196 HydrophobicContact CD1-CG 3.46Å; I30-E196 VanDerWaalsContact CD1-CG 3.46Å; I30-E196 HydrophobicContact CG2-CG 3.87Å; I30-E196 WeakPolarHBondContact CG2-OE1 3.37Å
31D57.7Low71.7Confident127 Ų12778.1 Ų78.168%0.67945%0.454SS*.PPolyproline II helixtrans-65.3131.1-177.1-77.1-33.6000109.1K29 N33K29-D31 VanDerWaalsContact C-N 3.34Å; K29-D31 PolarHBondContact O-N 3.37Å; D31-N33 PolarHBondContact O-N 3Å
32G61.3Low73.2Confident74 Ų7477.2 Ų77.276%0.76345%0.446SS*.PPolyproline II helixtrans-59.5129-176.700000111.6I30I30-G32 PolarHBondContact O-N 3.44Å
33N73.4Confident74.9Confident65 Ų6574.2 Ų74.235%0.34843%0.428SS..PPolyproline II helixtrans-76.6126.3172.4-176.3-14.6000109.4D31 E35 R36 S37 M201D31-N33 PolarHBondContact O-N 3Å; N33-E35 PolarHBondContact O-N 3.14Å; N33-E35 WeakPolarHBondContact OD1-CB 3.39Å; N33-E35 PolarHBondContact OD1-N 3.33Å; N33-R36 HydrophobicContact CB-CB 4.04Å; N33-R36 PolarHBondContact O-N 3.42Å; N33-S37 PolarHBondContact O-N 3.43Å; N33-S37 PolarHBondContact O-OG 2.95Å; N33-M201 PolarHBondContact ND2-SD 3.31Å
34A80.5Confident76.5Confident81 Ų8175.3 Ų75.367%0.66943%0.434SS*.Hα-helixtrans-59.5-34178.300000112.3S37 L38A34-S37 WeakPolarHBondContact O-CB 3.26Å; A34-S37 PolarHBondContact O-N 2.95Å; A34-L38 PolarHBondContact O-N 3.34Å
35E86.7Confident78.1Confident118 Ų11876.4 Ų76.455%0.55144%0.435SS*.Hα-helixtrans-67.9-46.6176.9-161.7-178.5168.600111N33 S37 L38 E39 M201N33-E35 PolarHBondContact O-N 3.14Å; N33-E35 WeakPolarHBondContact OD1-CB 3.39Å; N33-E35 PolarHBondContact OD1-N 3.33Å; E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 3.2Å; E35-L38 WeakPolarHBondContact O-CB 3.27Å; E35-L38 PolarHBondContact O-N 3.29Å; E35-L38 VanDerWaalsContact O-N 3.09Å; E35-E39 PolarHBondContact O-N 2.97Å; E35-E39 VanDerWaalsContact O-N 3.1Å; E35-M201 HydrophobicContact CB-CE 3.87Å; E35-M201 HydrophobicContact CB-SD 3.87Å; E35-M201 HydrophobicContact CG-CE 3.54Å; E35-M201 HydrophobicContact CG-SD 4.14Å
36R90.8Very high79.7Confident13 Ų1377.8 Ų77.85%0.04944%0.439CS..Hα-helixtrans-60.9-36.6173.1175.6165.4163.2-164.85.3112.6N33 L38 E39 L40 E196 P200 M201 T204 G254 D256N33-R36 HydrophobicContact CB-CB 4.04Å; N33-R36 PolarHBondContact O-N 3.42Å; R36-L38 PolarHBondContact O-N 3.41Å; R36-E39 PolarHBondContact O-N 2.93Å; R36-E39 VanDerWaalsContact O-N 3.14Å; R36-L40 WeakPolarHBondContact O-CB 3.46Å; R36-L40 PolarHBondContact O-N 3.26Å; R36-E196 IonicContact CZ-OE2 3.44Å; R36-E196 IonicContact NH1-OE1 2.72Å; R36-E196 PolarHBondContact NH1-OE1 3.41Å; R36-E196 IonicContact NH1-OE2 2.71Å; R36-E196 PolarHBondContact NH1-OE2 3.03Å; R36-E196 IonicContact NH2-OE2 3.66Å; R36-P200 WeakPolarHBondContact CD-O 3.33Å; R36-P200 PolarHBondContact NH1-O 3.31Å; R36-M201 HydrophobicContact CB-CE 4.49Å; R36-M201 HydrophobicContact CB-SD 3.96Å; R36-T204 PolarHBondContact NH2-OG1 2.79Å; R36-G254 PolarHBondContact NH2-O 3.41Å; R36-D256 IonicContact CZ-OD1 3.41Å; R36-D256 IonicContact CZ-OD2 2.98Å; R36-D256 IonicContact NE-OD1 3.41Å; R36-D256 IonicContact NE-OD2 3.34Å; R36-D256 PolarHBondContact NE-OD2 3.32Å; R36-D256 VanDerWaalsContact NH2-CG 3.32Å; R36-D256 IonicContact NH2-OD1 2.72Å; R36-D256 IonicContact NH2-OD2 3.74Å; R36-D256 PolarHBondContact NH2-OD2 3.02Å
37S90.4Very high81.6Confident67 Ų6770.9 Ų70.947%0.46941%0.409SS..Hα-helixtrans-61.3-35.8176.6-59.50000111.7N33 A34 E35 S41N33-S37 PolarHBondContact O-N 3.43Å; N33-S37 PolarHBondContact O-OG 2.95Å; A34-S37 WeakPolarHBondContact O-CB 3.26Å; A34-S37 PolarHBondContact O-N 2.95Å; E35-S37 VanDerWaalsContact C-N 3.27Å; E35-S37 PolarHBondContact O-N 3.2Å; S37-S41 PolarHBondContact O-N 2.68Å; S37-S41 VanDerWaalsContact O-N 3.1Å
38L93.3Very high83.5Confident92 Ų9275.9 Ų75.948%0.48242%0.422SS..Hα-helixtrans-67.3-46.1173.2-178.962.8000110.7A34 E35 R36 L40 S41 F42A34-L38 PolarHBondContact O-N 3.34Å; E35-L38 WeakPolarHBondContact O-CB 3.27Å; E35-L38 PolarHBondContact O-N 3.29Å; E35-L38 VanDerWaalsContact O-N 3.09Å; R36-L38 PolarHBondContact O-N 3.41Å; L38-L40 PolarHBondContact O-N 3.11Å; L38-S41 WeakPolarHBondContact O-CB 3.44Å; L38-S41 PolarHBondContact O-N 2.61Å; L38-S41 VanDerWaalsContact O-N 3.12Å; L38-S41 PolarHBondContact O-OG 2.96Å; L38-F42 HydrophobicContact CD1-CD2 4.15Å; L38-F42 HydrophobicContact CD1-CE2 3.64Å; L38-F42 HydrophobicContact CD2-CE2 4.25Å; L38-F42 HydrophobicContact CG-CD2 4.03Å; L38-F42 HydrophobicContact CG-CE2 3.71Å; L38-F42 VanDerWaalsContact O-CD2 3.25Å; L38-F42 WeakPolarHBondContact O-CD2 3.44Å; L38-F42 PolarHBondContact O-N 3.07Å; L38-F42 VanDerWaalsContact O-N 3.09Å
39E94.7Very high85.6Confident19 Ų1970.8 Ų70.89%0.08939%0.388CS..Hα-helixtrans-64.4-39.6178.7-57.5-57.7-167.700113.3E35 R36 S41 F42 F43 Y179 R180 M201E35-E39 PolarHBondContact O-N 2.97Å; E35-E39 VanDerWaalsContact O-N 3.1Å; R36-E39 PolarHBondContact O-N 2.93Å; R36-E39 VanDerWaalsContact O-N 3.14Å; E39-S41 VanDerWaalsContact C-N 3.28Å; E39-S41 PolarHBondContact O-N 3.4Å; E39-F42 WeakPolarHBondContact O-CB 3.38Å; E39-F42 PolarHBondContact O-N 3.46Å; E39-F42 VanDerWaalsContact O-N 3.15Å; E39-F43 WeakPolarHBondContact O-CB 3.33Å; E39-F43 PolarHBondContact O-N 3.36Å; E39-Y179 WeakPolarHBondContact CB-O 3.46Å; E39-R180 HydrophobicContact CB-CB 4.41Å; E39-R180 IonicContact OE1-CZ 3.28Å; E39-R180 IonicContact OE1-NE 2.71Å; E39-R180 IonicContact OE1-NH2 3.51Å; E39-R180 PolarHBondContact OE1-NH2 2.86Å; E39-R180 WeakPolarHBondContact OE2-CB 3.38Å; E39-R180 IonicContact OE2-CZ 2.68Å; E39-R180 IonicContact OE2-NE 2.75Å; E39-R180 PolarHBondContact OE2-NE 3.02Å; E39-R180 IonicContact OE2-NH1 3.78Å; E39-R180 IonicContact OE2-NH2 3.59Å; E39-R180 PolarHBondContact OE2-NH2 3.31Å; E39-M201 HydrophobicContact CG-CE 4.02Å
40L95Very high87.5Confident19 Ų1963.9 Ų63.910%0.09936%0.358CS..Hα-helixtrans-58.2-42.117118064000111.4R36 L38 F42 F43 L44 I203 D256 L257R36-L40 WeakPolarHBondContact O-CB 3.46Å; R36-L40 PolarHBondContact O-N 3.26Å; L38-L40 PolarHBondContact O-N 3.11Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.39Å; L40-F43 PolarHBondContact O-N 3.03Å; L40-L44 HydrophobicContact CD1-CD1 3.72Å; L40-L44 HydrophobicContact CD1-CG 3.99Å; L40-L44 HydrophobicContact CD2-CD1 4.45Å; L40-L44 HydrophobicContact CG-CD1 3.79Å; L40-L44 HydrophobicContact CG-CG 4.39Å; L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 2.72Å; L40-I203 HydrophobicContact CB-CD1 4.32Å; L40-I203 HydrophobicContact CB-CG1 4.49Å; L40-I203 HydrophobicContact CD1-CD1 4.23Å; L40-I203 HydrophobicContact CD1-CG1 4.39Å; L40-I203 HydrophobicContact CD1-CG2 3.86Å; L40-D256 HydrophobicContact CD1-CB 3.69Å; L40-D256 HydrophobicContact CD2-CB 3.75Å; L40-D256 HydrophobicContact CG-CB 4.34Å; L40-L257 HydrophobicContact CD1-CD2 4.1Å
41S94.8Very high89.4Confident62 Ų6260.7 Ų60.743%0.43434%0.342SS..Hα-helixtrans-63.1-38.3177.583.20000112.4S37 L38 E39 K45S37-S41 PolarHBondContact O-N 2.68Å; S37-S41 VanDerWaalsContact O-N 3.1Å; L38-S41 WeakPolarHBondContact O-CB 3.44Å; L38-S41 PolarHBondContact O-N 2.61Å; L38-S41 VanDerWaalsContact O-N 3.12Å; L38-S41 PolarHBondContact O-OG 2.96Å; E39-S41 VanDerWaalsContact C-N 3.28Å; E39-S41 PolarHBondContact O-N 3.4Å; S41-K45 WeakPolarHBondContact O-CB 3.22Å; S41-K45 PolarHBondContact O-N 2.83Å
42F95Very high91.3Very high83 Ų8355.4 Ų55.436%0.36431%0.314SS..Hα-helixtrans-67.2-44.5173.9-80.7-70.4000111.6L38 E39 L40 L44 K45 K152 R180L38-F42 HydrophobicContact CD1-CD2 4.15Å; L38-F42 HydrophobicContact CD1-CE2 3.64Å; L38-F42 HydrophobicContact CD2-CE2 4.25Å; L38-F42 HydrophobicContact CG-CD2 4.03Å; L38-F42 HydrophobicContact CG-CE2 3.71Å; L38-F42 VanDerWaalsContact O-CD2 3.25Å; L38-F42 WeakPolarHBondContact O-CD2 3.44Å; L38-F42 PolarHBondContact O-N 3.07Å; L38-F42 VanDerWaalsContact O-N 3.09Å; E39-F42 WeakPolarHBondContact O-CB 3.38Å; E39-F42 PolarHBondContact O-N 3.46Å; E39-F42 VanDerWaalsContact O-N 3.15Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.39Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-L44 PolarHBondContact O-N 3.3Å; F42-K45 WeakPolarHBondContact O-CB 3.42Å; F42-K45 PolarHBondContact O-N 3.45Å; F42-K152 WeakPolarHBondContact O-CE 3.46Å; F42-K152 PolarHBondContact O-NZ 2.8Å; F42-R180 HydrophobicContact CB-CB 4.31Å; F42-R180 VanDerWaalsContact CE2-NH1 3.27Å
43F96.9Very high93.1Very high0 Ų053.5 Ų53.50%028%0.283CS..Hα-helixtrans-60.9-38.8177.1-178.1-96.2000112.3E39 L40 L47 L77 K152 M153 I154 A183 I203 L257E39-F43 WeakPolarHBondContact O-CB 3.33Å; E39-F43 PolarHBondContact O-N 3.36Å; L40-F43 PolarHBondContact O-N 3.03Å; F43-L47 HydrophobicContact CE1-CD2 4.47Å; F43-L77 HydrophobicContact CZ-CD2 4.34Å; F43-K152 VanDerWaalsContact C-NZ 3.32Å; F43-K152 HydrophobicContact CD2-CB 4.48Å; F43-K152 HydrophobicContact CE2-CB 4.12Å; F43-K152 VanDerWaalsContact O-CD 3.22Å; F43-K152 WeakPolarHBondContact O-CD 3.14Å; F43-K152 VanDerWaalsContact O-CE 3.26Å; F43-K152 WeakPolarHBondContact O-CE 3.47Å; F43-K152 PolarHBondContact O-NZ 2.86Å; F43-M153 WeakPolarHBondContact CE2-O 3.38Å; F43-I154 HydrophobicContact CZ-CD1 4.48Å; F43-I154 HydrophobicContact CZ-CG1 3.92Å; F43-A183 HydrophobicContact CE1-CB 3.92Å; F43-A183 HydrophobicContact CE2-CB 3.99Å; F43-A183 HydrophobicContact CZ-CB 3.61Å; F43-I203 HydrophobicContact CB-CD1 3.58Å; F43-I203 HydrophobicContact CD1-CD1 4.38Å; F43-I203 HydrophobicContact CD2-CD1 4.45Å; F43-I203 HydrophobicContact CG-CD1 3.88Å; F43-L257 HydrophobicContact CE1-CD1 3.86Å
44L96Very high94.2Very high40 Ų4050.4 Ų50.421%0.20927%0.267CS..Hα-helixtrans-85.3-15.1-180-65.7172.6000114L40 F42 N46 L47 L257 N279L40-L44 HydrophobicContact CD1-CD1 3.72Å; L40-L44 HydrophobicContact CD1-CG 3.99Å; L40-L44 HydrophobicContact CD2-CD1 4.45Å; L40-L44 HydrophobicContact CG-CD1 3.79Å; L40-L44 HydrophobicContact CG-CG 4.39Å; L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 2.72Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-L44 PolarHBondContact O-N 3.3Å; L44-N46 PolarHBondContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD2 4.13Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L44-L47 PolarHBondContact O-N 3.03Å; L44-L47 VanDerWaalsContact O-N 3.11Å; L44-L257 HydrophobicContact CD2-CD2 3.96Å; L44-N279 HydrophobicContact CD1-CB 3.95Å; L44-N279 WeakPolarHBondContact CD1-ND2 3.19Å; L44-N279 WeakPolarHBondContact CD1-OD1 3.3Å; L44-N279 HydrophobicContact CD2-CB 4.2Å
45K95.2Very high95Very high128 Ų12846.6 Ų46.656%0.55724%0.235SC*.THydrogen-bonded Turntrans-56.8125.6-177.3-172.7178-179.1-179.90111.7S41 F42 L47 K152S41-K45 WeakPolarHBondContact O-CB 3.22Å; S41-K45 PolarHBondContact O-N 2.83Å; F42-K45 WeakPolarHBondContact O-CB 3.42Å; F42-K45 PolarHBondContact O-N 3.45Å; K45-L47 PolarHBondContact O-N 2.93Å; K45-L47 VanDerWaalsContact O-N 3.13Å; K45-K152 PolarHBondContact O-NZ 3.15Å
46N92.7Very high95.5Very high124 Ų12442 Ų4266%0.66322%0.216SC*.THydrogen-bonded Turntrans59.911.3-179.8-57.7-26000115.5L44 K48L44-N46 PolarHBondContact O-N 3.16Å; N46-K48 PolarHBondContact O-N 3.3Å
47L95.1Very high95.7Very high15 Ų1545 Ų458%0.07923%0.233CC..  trans-70.8119.3-179.2178.754.7000110.6F43 L44 K45 D76 L77 I281 P301F43-L47 HydrophobicContact CE1-CD2 4.47Å; L44-L47 HydrophobicContact CD2-CD2 4.13Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L44-L47 PolarHBondContact O-N 3.03Å; L44-L47 VanDerWaalsContact O-N 3.11Å; K45-L47 PolarHBondContact O-N 2.93Å; K45-L47 VanDerWaalsContact O-N 3.13Å; L47-D76 HydrophobicContact CD1-CB 3.64Å; L47-L77 HydrophobicContact CD1-CB 4.23Å; L47-L77 HydrophobicContact CD1-CD2 3.36Å; L47-L77 HydrophobicContact CD1-CG 3.75Å; L47-L77 HydrophobicContact CD2-CD2 3.68Å; L47-L77 HydrophobicContact CG-CD2 4.15Å; L47-I281 HydrophobicContact CD2-CD1 4.09Å; L47-P301 HydrophobicContact CD2-CB 4.31Å; L47-P301 HydrophobicContact CD2-CG 4.36Å; L47-P301 HydrophobicContact CG-CB 3.87Å; L47-P301 HydrophobicContact CG-CG 4.04Å; L47-P301 WeakPolarHBondContact O-CG 3.07Å
48K95Very high95.9Very high138 Ų13842.3 Ų42.360%0.621%0.213SC*.  trans-129.4-50.1175.8-64.5179.3-179.8179.20112.2N46 D76 P301 Y302N46-K48 PolarHBondContact O-N 3.3Å; K48-D76 WeakPolarHBondContact CA-OD2 3.2Å; K48-D76 WeakPolarHBondContact CB-OD2 3.41Å; K48-D76 PolarHBondContact N-OD2 2.95Å; K48-P301 VanDerWaalsContact O-CA 3.27Å; K48-P301 WeakPolarHBondContact O-CA 3.45Å; K48-Y302 WeakPolarHBondContact O-CD1 3.23Å; K48-Y302 PolarHBondContact O-N 3.36Å
49A96.5Very high96.1Very high8 Ų837.9 Ų37.97%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-130.4118.9-174.900000111.2D76 Y302 M307A49-D76 PolarHBondContact N-OD2 3.2Å; A49-D76 WeakPolarHBondContact O-CB 3.22Å; A49-D76 PolarHBondContact O-N 3.36Å; A49-Y302 WeakPolarHBondContact CA-O 3.28Å; A49-Y302 HydrophobicContact CB-CE2 3.89Å; A49-M307 HydrophobicContact CB-CE 4.42Å
50G97.5Very high96.2Very high2 Ų237 Ų372%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-104.414517500000112.5H52 L77 Y302 L303 T304G50-H52 PolarHBondContact O-N 3.06Å; G50-L77 CarbonylContact C-O 3.59Å; G50-L77 WeakPolarHBondContact CA-O 3.46Å; G50-Y302 PolarHBondContact N-O 3.02Å; G50-L303 CarbonylContact O-C 3.39Å; G50-L303 VanDerWaalsContact O-CA 3.32Å; G50-L303 WeakPolarHBondContact O-CA 3.45Å; G50-T304 PolarHBondContact O-N 2.76Å
51A98.3Very high96.3Very high0 Ų037.4 Ų37.40%019%0.187CC..EExtended strand (participates in β ladder)trans-83.8102.1176.600000110.9R53 G54 L55 S70 A75 L77 V78 E79A51-R53 PolarHBondContact O-N 3.33Å; A51-G54 PolarHBondContact O-N 2.93Å; A51-L55 HydrophobicContact CB-CD2 3.73Å; A51-L55 HydrophobicContact CB-CG 3.65Å; A51-S70 WeakPolarHBondContact CB-OG 3.25Å; A51-A75 HydrophobicContact CB-CB 3.94Å; A51-L77 PolarHBondContact N-O 3.11Å; A51-V78 HydrophobicContact CB-CB 4.47Å; A51-V78 HydrophobicContact CB-CG2 4.28Å; A51-E79 PolarHBondContact O-N 2.97Å
52H98.3Very high96.5Very high16 Ų1634.7 Ų34.77%0.07417%0.168CC..EExtended strand (participates in β ladder)trans-63.4118.4174.8-177.2-125.7000108.9G50 G54 L55 S56 E79 T284 L303 T304 D305G50-H52 PolarHBondContact O-N 3.06Å; H52-G54 PolarHBondContact O-N 3.01Å; H52-L55 PolarHBondContact O-N 2.71Å; H52-S56 PolarHBondContact O-N 3.07Å; H52-E79 IonicContact CD2-OE2 2.92Å; H52-E79 PolarHBondContact CD2-OE2 3.37Å; H52-E79 IonicContact CG-OE2 2.78Å; H52-E79 IonicContact NE2-OE2 2.67Å; H52-T284 HydrophobicContact CB-CG2 3.97Å; H52-L303 HydrophobicContact CB-CB 4.06Å; H52-T304 WeakPolarHBondContact CB-O 3.12Å; H52-T304 PolarHBondContact N-O 2.75Å; H52-D305 IonicContact CE1-OD1 3.65Å; H52-D305 IonicContact CG-OD1 3.25Å; H52-D305 IonicContact ND1-OD1 3.7Å; H52-D305 PolarHBondContact ND1-OD1 3.48Å
53R98.2Very high96.7Very high33 Ų3330.8 Ų30.813%0.12515%0.151CC..THydrogen-bonded Turntrans51.125.8-174.7-46179.1-165.21743.4114.9A51 E61 N62 E79 D81 H94A51-R53 PolarHBondContact O-N 3.33Å; R53-E61 HydrophobicContact CB-CB 3.82Å; R53-E61 IonicContact NH1-OE1 2.65Å; R53-E61 PolarHBondContact NH1-OE1 3.49Å; R53-E61 WeakPolarHBondContact O-CA 3.21Å; R53-N62 PolarHBondContact O-N 3.45Å; R53-E79 WeakPolarHBondContact CA-O 3.21Å; R53-E79 PolarHBondContact N-O 3.27Å; R53-E79 PolarHBondContact N-OE2 2.95Å; R53-D81 WeakPolarHBondContact CD-OD2 3.45Å; R53-D81 VanDerWaalsContact CG-OD2 3.29Å; R53-D81 WeakPolarHBondContact CG-OD2 3.33Å; R53-D81 IonicContact CZ-OD2 3.12Å; R53-D81 IonicContact NE-OD2 3.99Å; R53-D81 PolarHBondContact NE-OD2 3.45Å; R53-H94 VanDerWaalsContact CZ-CG 3.5Å; R53-H94 PolarHBondContact NH1-CD2 3.5Å; R53-H94 PolarHBondContact NH2-CD2 3.42Å; R53-H94 PolarHBondContact NH2-NE2 3.33Å
54G97.6Very high96.8Very high1 Ų132.6 Ų32.61%0.0116%0.16CC..THydrogen-bonded Turntrans8035.2-175.100000115.4A51 H52 A66 S70A51-G54 PolarHBondContact O-N 2.93Å; H52-G54 PolarHBondContact O-N 3.01Å; G54-A66 WeakPolarHBondContact O-CB 3.13Å; G54-S70 VanDerWaalsContact CA-OG 3.22Å; G54-S70 WeakPolarHBondContact CA-OG 3.31Å; G54-S70 PolarHBondContact O-OG 2.92Å
55L97.1Very high96.8Very high0 Ų031.4 Ų31.40%016%0.157CC..THydrogen-bonded Turntrans6763.1-177.3-54.6173.5000111.8A51 H52 L57 D58 A59 F69 L73 T304 D305 M307A51-L55 HydrophobicContact CB-CD2 3.73Å; A51-L55 HydrophobicContact CB-CG 3.65Å; H52-L55 PolarHBondContact O-N 2.71Å; L55-L57 PolarHBondContact O-N 3.3Å; L55-D58 HydrophobicContact CB-CB 4.23Å; L55-D58 WeakPolarHBondContact O-CA 3.32Å; L55-D58 PolarHBondContact O-N 2.99Å; L55-A59 PolarHBondContact O-N 3.27Å; L55-F69 HydrophobicContact CD1-CD1 4.14Å; L55-F69 HydrophobicContact CD1-CE1 4.29Å; L55-L73 HydrophobicContact CD1-CB 4.33Å; L55-L73 HydrophobicContact CD1-CD1 3.57Å; L55-T304 HydrophobicContact CD2-CG2 4.16Å; L55-T304 WeakPolarHBondContact CD2-O 3.17Å; L55-D305 CarbonylContact C-O 3.57Å; L55-D305 WeakPolarHBondContact CA-O 3.35Å; L55-D305 WeakPolarHBondContact CB-O 3.49Å; L55-M307 HydrophobicContact CD1-CG 4.1Å; L55-M307 HydrophobicContact CD1-SD 4.12Å; L55-M307 HydrophobicContact CD2-CG 3.78Å; L55-M307 HydrophobicContact CD2-SD 4.29Å
56S96.4Very high97Very high21 Ų2125.3 Ų25.315%0.14713%0.13CC..THydrogen-bonded Turntrans-61.5-8.7-171.6580000116.5H52 D305H52-S56 PolarHBondContact O-N 3.07Å; S56-D305 PolarHBondContact N-O 2.99Å; S56-D305 PolarHBondContact OG-OD1 2.86Å
57L95.6Very high97.2Very high77 Ų7719.5 Ų19.540%0.40310%0.099SC..THydrogen-bonded Turntrans-87-20.2169-71.3176.3000113.1L55 R126 D305 T306L55-L57 PolarHBondContact O-N 3.3Å; L57-R126 PolarHBondContact O-NH2 2.83Å; L57-R126 VanDerWaalsContact O-NH2 3.1Å; L57-D305 HydrophobicContact CB-CB 4.06Å; L57-D305 WeakPolarHBondContact CB-O 3.35Å; L57-D305 HydrophobicContact CD1-CB 3.74Å; L57-D305 HydrophobicContact CG-CB 3.53Å; L57-D305 PolarHBondContact N-O 3.1Å; L57-T306 HydrophobicContact CD1-CG2 4.11Å
58D94.9Very high97.3Very high10 Ų1024.4 Ų24.45%0.05312%0.119CC..THydrogen-bonded Turntrans-114.9-24.1-172.1-63.5-46.2000114L55 F69 T306 M307 A310 N314L55-D58 HydrophobicContact CB-CB 4.23Å; L55-D58 WeakPolarHBondContact O-CA 3.32Å; L55-D58 PolarHBondContact O-N 2.99Å; D58-F69 HydrophobicContact CB-CD1 4.49Å; D58-F69 HydrophobicContact CB-CE1 3.61Å; D58-F69 HydrophobicContact CB-CZ 4.19Å; D58-T306 WeakPolarHBondContact OD2-CA 3.25Å; D58-T306 WeakPolarHBondContact OD2-CB 3.31Å; D58-T306 PolarHBondContact OD2-OG1 2.93Å; D58-M307 PolarHBondContact OD2-N 2.99Å; D58-A310 HydrophobicContact CB-CB 3.9Å; D58-A310 WeakPolarHBondContact OD2-CB 3.5Å; D58-N314 PolarHBondContact O-ND2 2.53Å; D58-N314 PolarHBondContact O-OD1 3.25Å
59A96.4Very high97.4Very high0 Ų018.4 Ų18.40%09%0.093CC..SBendtrans-138.4160173.700000112.2L55 E61 A66 F69 F125 F131L55-A59 PolarHBondContact O-N 3.27Å; A59-E61 PolarHBondContact O-N 3.36Å; A59-E61 VanDerWaalsContact O-N 3.11Å; A59-A66 HydrophobicContact CB-CB 3.78Å; A59-F69 HydrophobicContact CB-CB 4.11Å; A59-F69 HydrophobicContact CB-CD1 3.96Å; A59-F69 HydrophobicContact CB-CG 4.06Å; A59-F125 VanDerWaalsContact C-CE2 3.47Å; A59-F125 VanDerWaalsContact C-CZ 3.45Å; A59-F125 VanDerWaalsContact CA-CZ 3.5Å; A59-F125 VanDerWaalsContact N-CZ 3.32Å; A59-F125 VanDerWaalsContact O-CE2 3.27Å; A59-F125 WeakPolarHBondContact O-CE2 3.07Å; A59-F131 HydrophobicContact CB-CE1 3.81Å; A59-F131 HydrophobicContact CB-CZ 3.85Å
60P97.5Very high97.4Very high1 Ų118 Ų181%0.0069%0.09CC..  trans-60.2113.7177.4-2030.2000111.7T63 A66 A122 F125 F131P60-T63 HydrophobicContact CB-CG2 3.9Å; P60-T63 WeakPolarHBondContact O-CB 3.45Å; P60-T63 WeakPolarHBondContact O-CG2 3.47Å; P60-T63 PolarHBondContact O-N 3.01Å; P60-T63 PolarHBondContact O-OG1 2.89Å; P60-A66 WeakPolarHBondContact O-CB 3.12Å; P60-A122 HydrophobicContact CB-CB 4Å; P60-A122 HydrophobicContact CG-CB 3.67Å; P60-F125 HydrophobicContact CB-CB 3.99Å; P60-F125 HydrophobicContact CB-CD1 4.42Å; P60-F125 HydrophobicContact CB-CG 4.06Å; P60-F125 HydrophobicContact CG-CB 3.91Å; P60-F125 HydrophobicContact CG-CD1 3.65Å; P60-F125 HydrophobicContact CG-CE1 4.39Å; P60-F125 HydrophobicContact CG-CG 3.79Å; P60-F131 HydrophobicContact CG-CB 4Å; P60-F131 HydrophobicContact CG-CD1 4.07Å; P60-F131 HydrophobicContact CG-CD2 3.88Å; P60-F131 HydrophobicContact CG-CE2 4.41Å; P60-F131 HydrophobicContact CG-CG 3.7Å
61E98.3Very high97.3Very high26 Ų2621.6 Ų21.612%0.12111%0.105CC..THydrogen-bonded Turntrans-53.4144.3-172.769.7-178.9-114.300113.5R53 A59 T63 R100 T101R53-E61 HydrophobicContact CB-CB 3.82Å; R53-E61 IonicContact NH1-OE1 2.65Å; R53-E61 PolarHBondContact NH1-OE1 3.49Å; R53-E61 WeakPolarHBondContact O-CA 3.21Å; A59-E61 PolarHBondContact O-N 3.36Å; A59-E61 VanDerWaalsContact O-N 3.11Å; E61-T63 VanDerWaalsContact C-N 3.26Å; E61-T63 PolarHBondContact O-N 2.82Å; E61-R100 VanDerWaalsContact CD-NH1 3.29Å; E61-R100 IonicContact OE1-CZ 2.65Å; E61-R100 IonicContact OE1-NH1 3.6Å; E61-R100 PolarHBondContact OE1-NH1 3.43Å; E61-R100 IonicContact OE1-NH2 3.5Å; E61-R100 PolarHBondContact OE1-NH2 3.48Å; E61-R100 IonicContact OE2-CZ 2.97Å; E61-R100 IonicContact OE2-NH1 3.27Å; E61-R100 PolarHBondContact OE2-NH1 2.88Å; E61-R100 IonicContact OE2-NH2 2.73Å; E61-T101 HydrophobicContact CG-CG2 3.78Å
62N98.4Very high97.2Very high6 Ų624 Ų243%0.03213%0.125CC..THydrogen-bonded Turntrans58.330.8175.5-75.6-50.1000114.6R53 V80 D81 L92 P137R53-N62 PolarHBondContact O-N 3.45Å; N62-V80 WeakPolarHBondContact OD1-CA 3.26Å; N62-D81 PolarHBondContact ND2-OD2 2.96Å; N62-D81 PolarHBondContact OD1-N 3Å; N62-L92 HydrophobicContact CB-CB 3.89Å; N62-P137 WeakPolarHBondContact O-CD 3.47Å; N62-P137 VanDerWaalsContact O-CG 3.3Å; N62-P137 WeakPolarHBondContact O-CG 3.02Å
63T98.4Very high97Very high0 Ų023.9 Ų23.90%013%0.125CC..SBendtrans-110.516117563.60000112.6P60 E61 A65 A66 I67 A121 E134P60-T63 HydrophobicContact CB-CG2 3.9Å; P60-T63 WeakPolarHBondContact O-CB 3.45Å; P60-T63 WeakPolarHBondContact O-CG2 3.47Å; P60-T63 PolarHBondContact O-N 3.01Å; P60-T63 PolarHBondContact O-OG1 2.89Å; E61-T63 VanDerWaalsContact C-N 3.26Å; E61-T63 PolarHBondContact O-N 2.82Å; T63-A65 VanDerWaalsContact C-N 3.28Å; T63-A65 PolarHBondContact O-N 3.34Å; T63-A66 PolarHBondContact O-N 2.96Å; T63-A66 WeakPolarHBondContact OG1-CB 3.47Å; T63-A66 PolarHBondContact OG1-N 2.82Å; T63-A66 VanDerWaalsContact OG1-N 3.08Å; T63-I67 PolarHBondContact O-N 3.23Å; T63-I67 VanDerWaalsContact O-N 3.16Å; T63-A121 HydrophobicContact CG2-CB 3.62Å; T63-E134 HydrophobicContact CG2-CB 3.85Å; T63-E134 HydrophobicContact CG2-CG 4.38Å
64L98.3Very high96.8Very high38 Ų3830 Ų3020%0.19916%0.155CC..Hα-helixtrans-65.4-35173.3-60.6-175.3000111.2A66 I67 K68 P137 E141 A142 L145L64-A66 VanDerWaalsContact C-N 3.33Å; L64-A66 PolarHBondContact O-N 2.79Å; L64-I67 HydrophobicContact CD2-CD1 4.27Å; L64-I67 PolarHBondContact O-N 3.36Å; L64-K68 WeakPolarHBondContact O-CG 3.24Å; L64-K68 PolarHBondContact O-N 2.87Å; L64-P137 HydrophobicContact CD2-CB 3.77Å; L64-P137 HydrophobicContact CD2-CG 4.26Å; L64-P137 HydrophobicContact CG-CB 3.87Å; L64-P137 HydrophobicContact CG-CG 4.4Å; L64-E141 HydrophobicContact CD2-CB 4.4Å; L64-A142 HydrophobicContact CD2-CB 4.31Å; L64-L145 HydrophobicContact CB-CD2 3.89Å; L64-L145 HydrophobicContact CD2-CD2 3.8Å; L64-L145 HydrophobicContact CG-CD2 4.33Å
65A97.5Very high96.8Very high16 Ų1630.2 Ų30.213%0.13216%0.157CC..Hα-helixtrans-62.1-39.517300000112.6T63 K68 F69 F131 E134T63-A65 VanDerWaalsContact C-N 3.28Å; T63-A65 PolarHBondContact O-N 3.34Å; A65-K68 PolarHBondContact O-N 3.45Å; A65-F69 WeakPolarHBondContact O-CB 3.39Å; A65-F69 PolarHBondContact O-N 2.89Å; A65-F131 HydrophobicContact CB-CD1 3.84Å; A65-E134 HydrophobicContact CB-CG 4Å; A65-E134 VanDerWaalsContact CB-OE2 3.28Å; A65-E134 WeakPolarHBondContact CB-OE2 3.45Å; A65-E134 PolarHBondContact N-OE2 2.81Å
66A97.9Very high96.7Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-65.3-37.2175.800000113G54 A59 P60 T63 L64 F69 S70G54-A66 WeakPolarHBondContact O-CB 3.13Å; A59-A66 HydrophobicContact CB-CB 3.78Å; P60-A66 WeakPolarHBondContact O-CB 3.12Å; T63-A66 PolarHBondContact O-N 2.96Å; T63-A66 WeakPolarHBondContact OG1-CB 3.47Å; T63-A66 PolarHBondContact OG1-N 2.82Å; T63-A66 VanDerWaalsContact OG1-N 3.08Å; L64-A66 VanDerWaalsContact C-N 3.33Å; L64-A66 PolarHBondContact O-N 2.79Å; A66-F69 PolarHBondContact O-N 3.33Å; A66-S70 WeakPolarHBondContact O-CB 3.5Å; A66-S70 PolarHBondContact O-N 3.14Å; A66-S70 PolarHBondContact O-OG 2.87Å
67I98.3Very high96.8Very high1 Ų131.8 Ų31.81%0.00516%0.164CC..Hα-helixtrans-62-49.5172-64.1170.7000110.5T63 L64 F69 S70 K71 V78 A142 L145 V146 L149 M151 M153T63-I67 PolarHBondContact O-N 3.23Å; T63-I67 VanDerWaalsContact O-N 3.16Å; L64-I67 HydrophobicContact CD2-CD1 4.27Å; L64-I67 PolarHBondContact O-N 3.36Å; I67-F69 VanDerWaalsContact C-N 3.32Å; I67-F69 PolarHBondContact O-N 3.35Å; I67-S70 WeakPolarHBondContact O-CB 3.14Å; I67-S70 PolarHBondContact O-N 3.29Å; I67-K71 PolarHBondContact O-N 3.17Å; I67-V78 HydrophobicContact CG1-CG1 4.37Å; I67-V78 HydrophobicContact CG1-CG2 4.21Å; I67-V78 HydrophobicContact CG2-CG1 4.41Å; I67-A142 HydrophobicContact CD1-CB 3.74Å; I67-L145 HydrophobicContact CB-CD2 3.99Å; I67-L145 HydrophobicContact CD1-CD2 4.4Å; I67-L145 HydrophobicContact CG2-CD2 3.87Å; I67-L145 HydrophobicContact CG2-CG 4.14Å; I67-V146 HydrophobicContact CG2-CG2 3.95Å; I67-L149 HydrophobicContact CG2-CD1 4.04Å; I67-M151 HydrophobicContact CG2-SD 4.47Å; I67-M153 HydrophobicContact CD1-CE 4.11Å
68K97.3Very high96.9Very high118 Ų11828.1 Ų28.151%0.51314%0.144SC..Hα-helixtrans-60.6-41.3177.1-70.9172.7-178176.60112L64 A65 K71 A72 L145 L149L64-K68 WeakPolarHBondContact O-CG 3.24Å; L64-K68 PolarHBondContact O-N 2.87Å; A65-K68 PolarHBondContact O-N 3.45Å; K68-K71 PolarHBondContact O-N 3.03Å; K68-A72 WeakPolarHBondContact O-CB 3.4Å; K68-A72 PolarHBondContact O-N 3.06Å; K68-L145 HydrophobicContact CG-CD1 4.33Å; K68-L145 HydrophobicContact CG-CD2 4.14Å; K68-L149 HydrophobicContact CG-CD1 4.27Å
69F95.7Very high97.1Very high12 Ų1227.9 Ų27.95%0.05314%0.143CC..Hα-helixtrans-64.2-43.9178.1-171.2-93.4000111.3L55 D58 A59 A65 A66 I67 K71 A72 L73 F131 A310 R313 L317L55-F69 HydrophobicContact CD1-CD1 4.14Å; L55-F69 HydrophobicContact CD1-CE1 4.29Å; D58-F69 HydrophobicContact CB-CD1 4.49Å; D58-F69 HydrophobicContact CB-CE1 3.61Å; D58-F69 HydrophobicContact CB-CZ 4.19Å; A59-F69 HydrophobicContact CB-CB 4.11Å; A59-F69 HydrophobicContact CB-CD1 3.96Å; A59-F69 HydrophobicContact CB-CG 4.06Å; A65-F69 WeakPolarHBondContact O-CB 3.39Å; A65-F69 PolarHBondContact O-N 2.89Å; A66-F69 PolarHBondContact O-N 3.33Å; I67-F69 VanDerWaalsContact C-N 3.32Å; I67-F69 PolarHBondContact O-N 3.35Å; F69-K71 PolarHBondContact O-N 2.96Å; F69-A72 WeakPolarHBondContact O-CB 3.37Å; F69-A72 PolarHBondContact O-N 3.35Å; F69-A72 VanDerWaalsContact O-N 3.16Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.41Å; F69-L73 HydrophobicContact CE1-CD1 3.24Å; F69-L73 HydrophobicContact CE1-CG 4.12Å; F69-L73 HydrophobicContact CZ-CD1 3.82Å; F69-L73 HydrophobicContact CZ-CG 4.5Å; F69-L73 PolarHBondContact O-N 2.98Å; F69-F131 HydrophobicContact CD2-CE1 4.45Å; F69-A310 HydrophobicContact CE1-CB 4.35Å; F69-A310 HydrophobicContact CZ-CB 4.46Å; F69-R313 HydrophobicContact CD2-CG 4.23Å; F69-R313 HydrophobicContact CE2-CB 4.01Å; F69-R313 HydrophobicContact CE2-CG 3.52Å; F69-R313 HydrophobicContact CZ-CB 4.08Å; F69-R313 HydrophobicContact CZ-CG 4.06Å; F69-L317 HydrophobicContact CD2-CD1 3.91Å; F69-L317 HydrophobicContact CE2-CD1 3.66Å
70S97.2Very high97.2Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-60.4-43.6175.5-58.90000111.9A51 G54 A66 I67 A72 L73 E74 A75A51-S70 WeakPolarHBondContact CB-OG 3.25Å; G54-S70 VanDerWaalsContact CA-OG 3.22Å; G54-S70 WeakPolarHBondContact CA-OG 3.31Å; G54-S70 PolarHBondContact O-OG 2.92Å; A66-S70 WeakPolarHBondContact O-CB 3.5Å; A66-S70 PolarHBondContact O-N 3.14Å; A66-S70 PolarHBondContact O-OG 2.87Å; I67-S70 WeakPolarHBondContact O-CB 3.14Å; I67-S70 PolarHBondContact O-N 3.29Å; S70-A72 VanDerWaalsContact C-N 3.35Å; S70-A72 PolarHBondContact O-N 3.37Å; S70-L73 CarbonylContact O-C 3.53Å; S70-L73 PolarHBondContact O-N 2.86Å; S70-E74 PolarHBondContact O-N 2.73Å; S70-A75 WeakPolarHBondContact O-CB 3.31Å; S70-A75 PolarHBondContact O-N 2.97Å
71K96.4Very high97.2Very high77 Ų7727.9 Ų27.934%0.33514%0.143SC..Hα-helixtrans-61.2-42.7173.8179.465.5-176.2-165.60112.1I67 K68 F69 L73 E74 L149 N150 M151I67-K71 PolarHBondContact O-N 3.17Å; K68-K71 PolarHBondContact O-N 3.03Å; F69-K71 PolarHBondContact O-N 2.96Å; K71-L73 PolarHBondContact O-N 3.02Å; K71-E74 PolarHBondContact O-N 3.02Å; K71-L149 HydrophobicContact CB-CD1 4.06Å; K71-L149 HydrophobicContact CD-CB 4.32Å; K71-L149 WeakPolarHBondContact CE-O 3.45Å; K71-L149 HydrophobicContact CG-CB 4.16Å; K71-L149 HydrophobicContact CG-CD1 4.33Å; K71-L149 HydrophobicContact CG-CD2 4.34Å; K71-L149 PolarHBondContact NZ-O 2.76Å; K71-N150 PolarHBondContact NZ-O 3.33Å; K71-M151 HydrophobicContact CB-SD 4.03Å; K71-M151 HydrophobicContact CD-CB 4.41Å; K71-M151 HydrophobicContact CD-CG 4.48Å; K71-M151 HydrophobicContact CD-SD 4.47Å
72A95.3Very high97.2Very high50 Ų5026.7 Ų26.741%0.41314%0.137SC..Hα-helixtrans-65.6-24.3178.900000113.2K68 F69 S70 E74K68-A72 WeakPolarHBondContact O-CB 3.4Å; K68-A72 PolarHBondContact O-N 3.06Å; F69-A72 WeakPolarHBondContact O-CB 3.37Å; F69-A72 PolarHBondContact O-N 3.35Å; F69-A72 VanDerWaalsContact O-N 3.16Å; S70-A72 VanDerWaalsContact C-N 3.35Å; S70-A72 PolarHBondContact O-N 3.37Å; A72-E74 VanDerWaalsContact C-N 3.33Å
73L94.4Very high97.1Very high15 Ų1526.5 Ų26.58%0.07914%0.136CC..THydrogen-bonded Turntrans-93.711.4173.3-65.8-176.6000113.6L55 F69 S70 K71 A75 M307 N309 A310 R313L55-L73 HydrophobicContact CD1-CB 4.33Å; L55-L73 HydrophobicContact CD1-CD1 3.57Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.41Å; F69-L73 HydrophobicContact CE1-CD1 3.24Å; F69-L73 HydrophobicContact CE1-CG 4.12Å; F69-L73 HydrophobicContact CZ-CD1 3.82Å; F69-L73 HydrophobicContact CZ-CG 4.5Å; F69-L73 PolarHBondContact O-N 2.98Å; S70-L73 CarbonylContact O-C 3.53Å; S70-L73 PolarHBondContact O-N 2.86Å; K71-L73 PolarHBondContact O-N 3.02Å; L73-A75 VanDerWaalsContact C-N 3.25Å; L73-A75 PolarHBondContact O-N 3.19Å; L73-M307 HydrophobicContact CB-SD 4.03Å; L73-M307 HydrophobicContact CD1-CB 4.49Å; L73-M307 WeakPolarHBondContact O-CE 3.22Å; L73-N309 HydrophobicContact CD2-CB 4.15Å; L73-A310 HydrophobicContact CD1-CB 3.57Å; L73-R313 HydrophobicContact CD2-CB 4.08Å; L73-R313 HydrophobicContact CD2-CG 4.4Å
74E94.4Very high96.9Very high161 Ų16127.2 Ų27.275%0.75214%0.14SC*.THydrogen-bonded Turntrans59.832.3177.2-52.4-176134.300113.6S70 K71 A72 D76S70-E74 PolarHBondContact O-N 2.73Å; K71-E74 PolarHBondContact O-N 3.02Å; A72-E74 VanDerWaalsContact C-N 3.33Å; E74-D76 PolarHBondContact O-N 3.1Å
75A96.5Very high96.9Very high6 Ų625.5 Ų25.55%0.0513%0.131CC..  trans-61.3133.8167.100000109.8A51 S70 L73 L77 M151 M307A51-A75 HydrophobicContact CB-CB 3.94Å; S70-A75 WeakPolarHBondContact O-CB 3.31Å; S70-A75 PolarHBondContact O-N 2.97Å; L73-A75 VanDerWaalsContact C-N 3.25Å; L73-A75 PolarHBondContact O-N 3.19Å; A75-L77 VanDerWaalsContact C-N 3.29Å; A75-L77 PolarHBondContact O-N 2.91Å; A75-M151 HydrophobicContact CB-CE 3.8Å; A75-M151 WeakPolarHBondContact O-CE 3.27Å; A75-M307 HydrophobicContact CB-SD 3.96Å
76D95.7Very high96.8Very high54 Ų5427 Ų2729%0.28914%0.144SC..SBendtrans-70.4-29.6-176.1-63.9-55.4000112L47 K48 A49 E74L47-D76 HydrophobicContact CD1-CB 3.64Å; K48-D76 WeakPolarHBondContact CA-OD2 3.2Å; K48-D76 WeakPolarHBondContact CB-OD2 3.41Å; K48-D76 PolarHBondContact N-OD2 2.95Å; A49-D76 PolarHBondContact N-OD2 3.2Å; A49-D76 WeakPolarHBondContact O-CB 3.22Å; A49-D76 PolarHBondContact O-N 3.36Å; E74-D76 PolarHBondContact O-N 3.1Å
77L97.8Very high96.7Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-147.7164.6174.672.776.1000111.1F43 L47 G50 A51 A75 E79 K152 I154 L303F43-L77 HydrophobicContact CZ-CD2 4.34Å; L47-L77 HydrophobicContact CD1-CB 4.23Å; L47-L77 HydrophobicContact CD1-CD2 3.36Å; L47-L77 HydrophobicContact CD1-CG 3.75Å; L47-L77 HydrophobicContact CD2-CD2 3.68Å; L47-L77 HydrophobicContact CG-CD2 4.15Å; G50-L77 CarbonylContact C-O 3.59Å; G50-L77 WeakPolarHBondContact CA-O 3.46Å; A51-L77 PolarHBondContact N-O 3.11Å; A75-L77 VanDerWaalsContact C-N 3.29Å; A75-L77 PolarHBondContact O-N 2.91Å; L77-E79 HydrophobicContact CD1-CB 4.41Å; L77-K152 CarbonylContact C-O 3.57Å; L77-K152 WeakPolarHBondContact CA-O 3.46Å; L77-K152 HydrophobicContact CB-CB 3.63Å; L77-K152 WeakPolarHBondContact CB-O 3.3Å; L77-I154 HydrophobicContact CD1-CD1 4.18Å; L77-I154 HydrophobicContact CD1-CG1 4.29Å; L77-I154 HydrophobicContact CD2-CD1 3.75Å; L77-I154 HydrophobicContact CD2-CG1 4.07Å; L77-L303 HydrophobicContact CD1-CD2 3.65Å
78V98.6Very high96.5Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-115.5136.6165.564.60000109.6A51 I67 V80 V146 M151 K152 M153 I154A51-V78 HydrophobicContact CB-CB 4.47Å; A51-V78 HydrophobicContact CB-CG2 4.28Å; I67-V78 HydrophobicContact CG1-CG1 4.37Å; I67-V78 HydrophobicContact CG1-CG2 4.21Å; I67-V78 HydrophobicContact CG2-CG1 4.41Å; V78-V80 HydrophobicContact CG2-CG1 4.13Å; V78-V146 HydrophobicContact CG1-CG2 3.78Å; V78-M151 HydrophobicContact CB-CE 3.98Å; V78-M151 HydrophobicContact CB-SD 4.28Å; V78-M151 HydrophobicContact CG1-SD 4.24Å; V78-K152 PolarHBondContact N-O 3.38Å; V78-M153 HydrophobicContact CG1-CB 4.3Å; V78-M153 HydrophobicContact CG1-CE 3.95Å; V78-M153 HydrophobicContact CG1-CG 4.36Å; V78-M153 CarbonylContact O-C 3.53Å; V78-M153 WeakPolarHBondContact O-CA 3.15Å; V78-I154 PolarHBondContact O-N 2.66Å
79E98.6Very high96.4Very high4 Ų428.8 Ų28.82%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-100.4140.1168.2177.4-79.3158.200108.5A51 H52 R53 L77 I154 D156 L303A51-E79 PolarHBondContact O-N 2.97Å; H52-E79 IonicContact CD2-OE2 2.92Å; H52-E79 PolarHBondContact CD2-OE2 3.37Å; H52-E79 IonicContact CG-OE2 2.78Å; H52-E79 IonicContact NE2-OE2 2.67Å; R53-E79 WeakPolarHBondContact CA-O 3.21Å; R53-E79 PolarHBondContact N-O 3.27Å; R53-E79 PolarHBondContact N-OE2 2.95Å; L77-E79 HydrophobicContact CD1-CB 4.41Å; E79-I154 CarbonylContact C-O 3.12Å; E79-I154 WeakPolarHBondContact CA-O 2.97Å; E79-I154 HydrophobicContact CB-CB 4.13Å; E79-I154 HydrophobicContact CG-CB 4.07Å; E79-I154 HydrophobicContact CG-CG2 4.12Å; E79-D156 VanDerWaalsContact OE1-CB 3.26Å; E79-D156 WeakPolarHBondContact OE1-CB 3.48Å; E79-L303 HydrophobicContact CB-CD1 3.87Å; E79-L303 HydrophobicContact CB-CD2 4.04Å; E79-L303 HydrophobicContact CG-CD1 3.83Å
80V98.5Very high96.5Very high1 Ų128.7 Ų28.71%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-138.3148179.1-62.10000111N62 V78 L92 M153 I154 D156N62-V80 WeakPolarHBondContact OD1-CA 3.26Å; V78-V80 HydrophobicContact CG2-CG1 4.13Å; V80-L92 HydrophobicContact CB-CD1 3.88Å; V80-L92 HydrophobicContact CB-CD2 3.94Å; V80-L92 HydrophobicContact CB-CG 4.5Å; V80-L92 HydrophobicContact CG1-CD1 3.78Å; V80-L92 HydrophobicContact CG2-CD1 4.3Å; V80-L92 HydrophobicContact CG2-CD2 3.74Å; V80-M153 HydrophobicContact CB-CE 4.43Å; V80-M153 HydrophobicContact CG1-CE 3.84Å; V80-M153 HydrophobicContact CG2-CE 3.67Å; V80-M153 HydrophobicContact CG2-CG 4.16Å; V80-M153 HydrophobicContact CG2-SD 3.87Å; V80-I154 PolarHBondContact N-O 3.43Å; V80-D156 PolarHBondContact O-N 3.04Å
81D98.1Very high96.5Very high0 Ų028.7 Ų28.70%017%0.167CC..EExtended strand (participates in β ladder)trans-97.7135-179.4-54-78.2000111.4R53 N62 L92 M93 H94 D156 K158R53-D81 WeakPolarHBondContact CD-OD2 3.45Å; R53-D81 VanDerWaalsContact CG-OD2 3.29Å; R53-D81 WeakPolarHBondContact CG-OD2 3.33Å; R53-D81 IonicContact CZ-OD2 3.12Å; R53-D81 IonicContact NE-OD2 3.99Å; R53-D81 PolarHBondContact NE-OD2 3.45Å; N62-D81 PolarHBondContact ND2-OD2 2.96Å; N62-D81 PolarHBondContact OD1-N 3Å; D81-L92 CarbonylContact O-C 3.56Å; D81-L92 WeakPolarHBondContact O-CA 3.49Å; D81-M93 PolarHBondContact O-N 2.86Å; D81-H94 HydrophobicContact CB-CB 4.07Å; D81-H94 IonicContact OD1-CD2 3.44Å; D81-H94 PolarHBondContact OD1-CD2 3.5Å; D81-H94 VanDerWaalsContact OD2-CB 3.31Å; D81-H94 WeakPolarHBondContact OD2-CB 3.45Å; D81-H94 IonicContact OD2-CD2 2.61Å; D81-H94 PolarHBondContact OD2-CD2 2.93Å; D81-H94 IonicContact OD2-CG 2.67Å; D81-D156 WeakPolarHBondContact CA-O 3.2Å; D81-K158 WeakPolarHBondContact OD1-CE 3.33Å; D81-K158 IonicContact OD1-NZ 3.5Å; D81-K158 PolarHBondContact OD1-NZ 3.43Å
82V97.6Very high96.6Very high1 Ų125.1 Ų25.11%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-113.4134.1179.4177.30000112.5A90 L92 L139 I155 D156 K158 T164V82-A90 HydrophobicContact CG1-CB 3.89Å; V82-L92 HydrophobicContact CG2-CD2 3.97Å; V82-L139 HydrophobicContact CG1-CD2 4.4Å; V82-L139 HydrophobicContact CG2-CB 4.38Å; V82-L139 HydrophobicContact CG2-CD1 3.7Å; V82-L139 HydrophobicContact CG2-CD2 4.06Å; V82-L139 HydrophobicContact CG2-CG 4.24Å; V82-I155 HydrophobicContact CB-CG2 4.29Å; V82-I155 HydrophobicContact CG2-CG2 3.48Å; V82-I155 VanDerWaalsContact CG2-CG2 3.48Å; V82-D156 PolarHBondContact N-O 3.42Å; V82-K158 PolarHBondContact O-N 2.81Å; V82-T164 HydrophobicContact CG1-CG2 3.81Å
83S95.7Very high96.7Very high2 Ų223 Ų231%0.01413%0.133CC..EExtended strand (participates in β ladder)trans-131.9166.4170.4-69.20000111.1A90 V91 M93S83-A90 WeakPolarHBondContact O-CA 3.41Å; S83-V91 PolarHBondContact N-O 2.85Å; S83-V91 PolarHBondContact O-N 2.76Å; S83-M93 PolarHBondContact OG-O 2.83Å
84L95.9Very high96.7Very high16 Ų1624.9 Ų24.98%0.08414%0.142CC..EExtended strand (participates in β ladder)trans-104140.2175.2-65.1179.2000112.2T89 A90 D161 R163 T164L84-T89 WeakPolarHBondContact CA-O 3.36Å; L84-A90 HydrophobicContact CD2-CB 4.12Å; L84-D161 HydrophobicContact CD1-CB 4.03Å; L84-R163 HydrophobicContact CD1-CB 3.71Å; L84-T164 VanDerWaalsContact CD1-OG1 3.23Å; L84-T164 WeakPolarHBondContact CD1-OG1 3.49Å; L84-T164 WeakPolarHBondContact CD2-OG1 3.36Å; L84-T164 WeakPolarHBondContact CG-OG1 3.29Å
85T96.6Very high96.8Very high2 Ų218.8 Ų18.81%0.01211%0.114CC..  trans-74.2170.1163.261.90000111D87 G88 T89 V91 M111 D113 V116T85-D87 VanDerWaalsContact C-N 3.28Å; T85-D87 WeakPolarHBondContact CB-OD1 3.33Å; T85-D87 PolarHBondContact O-N 2.85Å; T85-D87 PolarHBondContact OG1-OD1 3.44Å; T85-G88 PolarHBondContact O-N 3.33Å; T85-T89 PolarHBondContact N-O 3.04Å; T85-T89 WeakPolarHBondContact OG1-CA 3.3Å; T85-T89 VanDerWaalsContact OG1-CB 3.31Å; T85-T89 WeakPolarHBondContact OG1-CB 3.2Å; T85-T89 PolarHBondContact OG1-N 3.38Å; T85-T89 PolarHBondContact OG1-O 2.82Å; T85-V91 HydrophobicContact CG2-CB 4.43Å; T85-V91 HydrophobicContact CG2-CG1 3.7Å; T85-V91 HydrophobicContact CG2-CG2 3.81Å; T85-M111 CarbonylContact C-O 3.04Å; T85-M111 WeakPolarHBondContact CA-O 3.25Å; T85-M111 VanDerWaalsContact CB-O 3.25Å; T85-M111 WeakPolarHBondContact CB-O 3.32Å; T85-D113 HydrophobicContact CG2-CB 4.47Å; T85-V116 HydrophobicContact CG2-CB 4.46Å; T85-V116 HydrophobicContact CG2-CG2 4.03Å
86A95.8Very high96.6Very high48 Ų4822.3 Ų22.340%0.39713%0.13SC..THydrogen-bonded Turntrans-60-36.2178.700000113G88 M111A86-G88 VanDerWaalsContact C-N 3.28Å; A86-M111 WeakPolarHBondContact CB-O 3.14Å; A86-M111 PolarHBondContact N-O 3.11Å
87D95.7Very high96.7Very high89 Ų8921.8 Ų21.848%0.47613%0.129SC..THydrogen-bonded Turntrans-84.23.8176.354.8-10.2000113.7T85 T112 D113T85-D87 VanDerWaalsContact C-N 3.28Å; T85-D87 WeakPolarHBondContact CB-OD1 3.33Å; T85-D87 PolarHBondContact O-N 2.85Å; T85-D87 PolarHBondContact OG1-OD1 3.44Å; D87-T112 WeakPolarHBondContact OD1-CA 3.41Å; D87-D113 PolarHBondContact OD1-N 2.91Å; D87-D113 PolarHBondContact OD2-N 2.87Å; D87-D113 VanDerWaalsContact OD2-N 3.16Å
88G94Very high96.7Very high22 Ų2221.8 Ų21.823%0.22713%0.129CC..  trans87.512.217100000115.3T85 A86T85-G88 PolarHBondContact O-N 3.33Å; A86-G88 VanDerWaalsContact C-N 3.28Å
89T95.8Very high96.7Very high44 Ų4424.6 Ų24.627%0.2714%0.143SC..  trans-76.3130174.4-55.20000110.4L84 T85 V91 D113L84-T89 WeakPolarHBondContact CA-O 3.36Å; T85-T89 PolarHBondContact N-O 3.04Å; T85-T89 WeakPolarHBondContact OG1-CA 3.3Å; T85-T89 VanDerWaalsContact OG1-CB 3.31Å; T85-T89 WeakPolarHBondContact OG1-CB 3.2Å; T85-T89 PolarHBondContact OG1-N 3.38Å; T85-T89 PolarHBondContact OG1-O 2.82Å; T89-V91 HydrophobicContact CG2-CG1 4.13Å; T89-V91 PolarHBondContact O-N 2.86Å; T89-D113 HydrophobicContact CG2-CB 4.1Å
90A97.2Very high96.6Very high10 Ų1029.3 Ų29.38%0.08316%0.161CC..EExtended strand (participates in β ladder)trans-77118.7172.900000110.4V82 S83 L84 S138 L139 A167V82-A90 HydrophobicContact CG1-CB 3.89Å; S83-A90 WeakPolarHBondContact O-CA 3.41Å; L84-A90 HydrophobicContact CD2-CB 4.12Å; A90-S138 WeakPolarHBondContact O-CA 3.49Å; A90-L139 HydrophobicContact CB-CB 3.99Å; A90-L139 HydrophobicContact CB-CD2 4.3Å; A90-L139 PolarHBondContact O-N 2.74Å; A90-A167 HydrophobicContact CB-CB 4.33Å
91V97.7Very high96.6Very high0 Ų029.9 Ų29.90%017%0.165CC..EExtended strand (participates in β ladder)trans-127154.5-177.4-630000111S83 T85 T89 M93 I108 V136 P137S83-V91 PolarHBondContact N-O 2.85Å; S83-V91 PolarHBondContact O-N 2.76Å; T85-V91 HydrophobicContact CG2-CB 4.43Å; T85-V91 HydrophobicContact CG2-CG1 3.7Å; T85-V91 HydrophobicContact CG2-CG2 3.81Å; T89-V91 HydrophobicContact CG2-CG1 4.13Å; T89-V91 PolarHBondContact O-N 2.86Å; V91-M93 PolarHBondContact O-N 3Å; V91-I108 HydrophobicContact CG2-CD1 4.04Å; V91-I108 HydrophobicContact CG2-CG1 4.08Å; V91-V136 HydrophobicContact CB-CG1 4.16Å; V91-V136 HydrophobicContact CG2-CG1 4.47Å; V91-P137 WeakPolarHBondContact CA-O 3.33Å
92L98.1Very high96.6Very high2 Ų229.9 Ų29.91%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-78107.6178.5-57.9-164.1000111N62 V80 D81 V82 V136 P137 L139 A142N62-L92 HydrophobicContact CB-CB 3.89Å; V80-L92 HydrophobicContact CB-CD1 3.88Å; V80-L92 HydrophobicContact CB-CD2 3.94Å; V80-L92 HydrophobicContact CB-CG 4.5Å; V80-L92 HydrophobicContact CG1-CD1 3.78Å; V80-L92 HydrophobicContact CG2-CD1 4.3Å; V80-L92 HydrophobicContact CG2-CD2 3.74Å; D81-L92 CarbonylContact O-C 3.56Å; D81-L92 WeakPolarHBondContact O-CA 3.49Å; V82-L92 HydrophobicContact CG2-CD2 3.97Å; L92-V136 WeakPolarHBondContact O-CG1 3.44Å; L92-P137 HydrophobicContact CB-CG 3.93Å; L92-P137 HydrophobicContact CD1-CG 3.73Å; L92-P137 HydrophobicContact CG-CG 3.82Å; L92-P137 PolarHBondContact N-O 2.91Å; L92-L139 HydrophobicContact CD2-CD1 4.07Å; L92-A142 HydrophobicContact CD1-CB 3.59Å; L92-A142 HydrophobicContact CD2-CB 4.32Å; L92-A142 HydrophobicContact CG-CB 4.13Å
93M97.5Very high96.6Very high5 Ų534.4 Ų34.43%0.02519%0.189CC..  trans-159.9126.1178.8-17559.660.500110.8D81 S83 V91 D95 V98 T102 V136D81-M93 PolarHBondContact O-N 2.86Å; S83-M93 PolarHBondContact OG-O 2.83Å; V91-M93 PolarHBondContact O-N 3Å; M93-D95 VanDerWaalsContact CG-O 3.32Å; M93-D95 WeakPolarHBondContact CG-O 3.26Å; M93-V98 HydrophobicContact CE-CG1 4.28Å; M93-T102 HydrophobicContact CE-CG2 4.17Å; M93-V136 HydrophobicContact CE-CG1 4.16Å; M93-V136 HydrophobicContact CE-CG2 3.91Å
94H95.9Very high96.7Very high55 Ų5535.1 Ų35.126%0.25520%0.197SC..SBendtrans-77.3-48.1177.4179.3-90.3000113R53 D81 K158R53-H94 VanDerWaalsContact CZ-CG 3.5Å; R53-H94 PolarHBondContact NH1-CD2 3.5Å; R53-H94 PolarHBondContact NH2-CD2 3.42Å; R53-H94 PolarHBondContact NH2-NE2 3.33Å; D81-H94 HydrophobicContact CB-CB 4.07Å; D81-H94 IonicContact OD1-CD2 3.44Å; D81-H94 PolarHBondContact OD1-CD2 3.5Å; D81-H94 VanDerWaalsContact OD2-CB 3.31Å; D81-H94 WeakPolarHBondContact OD2-CB 3.45Å; D81-H94 IonicContact OD2-CD2 2.61Å; D81-H94 PolarHBondContact OD2-CD2 2.93Å; D81-H94 IonicContact OD2-CG 2.67Å; H94-K158 WeakPolarHBondContact CD2-CE 3.46Å; H94-K158 PolarHBondContact CD2-NZ 2.81Å; H94-K158 VanDerWaalsContact CD2-NZ 3.31Å
95D94.8Very high96.8Very high33 Ų3338.6 Ų38.618%0.17622%0.222CC..SBendtrans-85.7155.6-170.5-68.23.5000110.9M93 T97 R100M93-D95 VanDerWaalsContact CG-O 3.32Å; M93-D95 WeakPolarHBondContact CG-O 3.26Å; D95-T97 VanDerWaalsContact CB-O 3.27Å; D95-T97 WeakPolarHBondContact CB-O 3.22Å; D95-T97 PolarHBondContact O-N 3.5Å; D95-R100 IonicContact OD1-CZ 3.22Å; D95-R100 IonicContact OD1-NE 3.24Å; D95-R100 PolarHBondContact OD1-NE 3.4Å; D95-R100 IonicContact OD1-NH2 2.73Å; D95-R100 PolarHBondContact OD1-NH2 3.24Å; D95-R100 VanDerWaalsContact OD2-CB 3.28Å; D95-R100 WeakPolarHBondContact OD2-CB 3.19Å; D95-R100 IonicContact OD2-CZ 3.45Å; D95-R100 IonicContact OD2-NE 3.66Å; D95-R100 PolarHBondContact OD2-NE 3.28Å; D95-R100 IonicContact OD2-NH2 2.81Å; D95-R100 PolarHBondContact OD2-NH2 3.09Å
96E94Very high96.8Very high81 Ų8139.9 Ų39.938%0.37924%0.236SC..SBendtrans-64.8-18.3171.1-68.7-178.1-156.100113.1R107 I108 W159E96-R107 VanDerWaalsContact O-CA 3.31Å; E96-R107 WeakPolarHBondContact O-CA 3.49Å; E96-R107 IonicContact OE2-CZ 3.54Å; E96-R107 IonicContact OE2-NH1 2.8Å; E96-R107 PolarHBondContact OE2-NH1 3.3Å; E96-R107 IonicContact OE2-NH2 3.45Å; E96-R107 PolarHBondContact OE2-NH2 2.75Å; E96-I108 PolarHBondContact O-N 3.25Å; E96-W159 HydrophobicContact CG-CH2 4.48Å; E96-W159 HydrophobicContact CG-CZ2 3.62Å; E96-W159 WeakPolarHBondContact OE1-CH2 3.48Å; E96-W159 WeakPolarHBondContact OE1-CZ2 3.13Å
97T97.1Very high96.9Very high43 Ų4343.2 Ų43.226%0.26424%0.238SC..BIsolated β-bridgetrans-129.4154-177.285.60000110.7D95 D99 G106 R107D95-T97 VanDerWaalsContact CB-O 3.27Å; D95-T97 WeakPolarHBondContact CB-O 3.22Å; D95-T97 PolarHBondContact O-N 3.5Å; T97-D99 WeakPolarHBondContact CB-OD2 3.37Å; T97-D99 PolarHBondContact O-N 3.08Å; T97-D99 PolarHBondContact OG1-OD2 2.83Å; T97-G106 CarbonylContact C-O 3.54Å; T97-G106 WeakPolarHBondContact CA-O 3.15Å; T97-G106 VanDerWaalsContact CB-O 3.22Å; T97-G106 WeakPolarHBondContact CB-O 3.23Å; T97-R107 HydrophobicContact CG2-CG 4.22Å
98V97.9Very high96.9Very high0 Ų039.3 Ų39.30%022%0.217CC..SBendtrans-83.7-2.7-177.6-57.10000112.8M93 R100 T102 G106 I108 M111 L119M93-V98 HydrophobicContact CE-CG1 4.28Å; V98-R100 PolarHBondContact O-N 3.1Å; V98-T102 HydrophobicContact CB-CG2 4.04Å; V98-T102 WeakPolarHBondContact CB-OG1 3.25Å; V98-T102 WeakPolarHBondContact O-CB 3.39Å; V98-T102 PolarHBondContact O-N 2.79Å; V98-T102 VanDerWaalsContact O-N 3.1Å; V98-T102 PolarHBondContact O-OG1 2.62Å; V98-G106 PolarHBondContact N-O 3.17Å; V98-I108 HydrophobicContact CG1-CD1 3.96Å; V98-M111 HydrophobicContact CG1-SD 4.12Å; V98-M111 HydrophobicContact CG2-SD 4.17Å; V98-L119 HydrophobicContact CB-CD1 3.77Å; V98-L119 HydrophobicContact CG1-CD1 3.76Å; V98-L119 HydrophobicContact CG2-CD1 3.78Å
99D98.1Very high96.9Very high58 Ų5841.2 Ų41.231%0.3123%0.23SC..THydrogen-bonded Turntrans-65.1-30.4-167.4-59.5-113.9000114.3T97 S105 G106 K124T97-D99 WeakPolarHBondContact CB-OD2 3.37Å; T97-D99 PolarHBondContact O-N 3.08Å; T97-D99 PolarHBondContact OG1-OD2 2.83Å; D99-S105 WeakPolarHBondContact OD1-CA 3.2Å; D99-S105 VanDerWaalsContact OD1-CB 3.28Å; D99-S105 WeakPolarHBondContact OD1-CB 3.33Å; D99-S105 PolarHBondContact OD1-OG 3.37Å; D99-G106 PolarHBondContact OD2-N 3.12Å; D99-G106 VanDerWaalsContact OD2-N 3.11Å; D99-K124 WeakPolarHBondContact O-CD 3.5Å; D99-K124 PolarHBondContact O-NZ 3.04Å
100R97.3Very high97Very high104 Ų10443.2 Ų43.239%0.39225%0.246SC..THydrogen-bonded Turntrans-78.9-40.2-174.7-175.6175.955.9783.4112.7E61 D95 V98 K124E61-R100 VanDerWaalsContact CD-NH1 3.29Å; E61-R100 IonicContact OE1-CZ 2.65Å; E61-R100 IonicContact OE1-NH1 3.6Å; E61-R100 PolarHBondContact OE1-NH1 3.43Å; E61-R100 IonicContact OE1-NH2 3.5Å; E61-R100 PolarHBondContact OE1-NH2 3.48Å; E61-R100 IonicContact OE2-CZ 2.97Å; E61-R100 IonicContact OE2-NH1 3.27Å; E61-R100 PolarHBondContact OE2-NH1 2.88Å; E61-R100 IonicContact OE2-NH2 2.73Å; D95-R100 IonicContact OD1-CZ 3.22Å; D95-R100 IonicContact OD1-NE 3.24Å; D95-R100 PolarHBondContact OD1-NE 3.4Å; D95-R100 IonicContact OD1-NH2 2.73Å; D95-R100 PolarHBondContact OD1-NH2 3.24Å; D95-R100 VanDerWaalsContact OD2-CB 3.28Å; D95-R100 WeakPolarHBondContact OD2-CB 3.19Å; D95-R100 IonicContact OD2-CZ 3.45Å; D95-R100 IonicContact OD2-NE 3.66Å; D95-R100 PolarHBondContact OD2-NE 3.28Å; D95-R100 IonicContact OD2-NH2 2.81Å; D95-R100 PolarHBondContact OD2-NH2 3.09Å; V98-R100 PolarHBondContact O-N 3.1Å; R100-K124 WeakPolarHBondContact O-CB 3.4Å; R100-K124 VanDerWaalsContact O-CD 3.23Å; R100-K124 WeakPolarHBondContact O-CD 3.14Å
101T97.3Very high97Very high13 Ų1344.1 Ų44.18%0.0825%0.249CC..THydrogen-bonded Turntrans-106.7-22.1-167.852.90000113.2E61 A121E61-T101 HydrophobicContact CG-CG2 3.78Å; T101-A121 CarbonylContact O-C 3.4Å; T101-A121 VanDerWaalsContact O-O 3.12Å
102T98.2Very high97Very high0 Ų046.4 Ų46.40%026%0.263CS..SBendtrans-110.6173.4-173.781.40000113.7M93 V98 G104 L119 N120 K124 V136M93-T102 HydrophobicContact CE-CG2 4.17Å; V98-T102 HydrophobicContact CB-CG2 4.04Å; V98-T102 WeakPolarHBondContact CB-OG1 3.25Å; V98-T102 WeakPolarHBondContact O-CB 3.39Å; V98-T102 PolarHBondContact O-N 2.79Å; V98-T102 VanDerWaalsContact O-N 3.1Å; V98-T102 PolarHBondContact O-OG1 2.62Å; T102-G104 PolarHBondContact O-N 3.21Å; T102-G104 PolarHBondContact OG1-N 3.34Å; T102-L119 HydrophobicContact CG2-CB 4.26Å; T102-L119 HydrophobicContact CG2-CD1 4.28Å; T102-N120 VanDerWaalsContact CA-O 3.28Å; T102-N120 WeakPolarHBondContact CA-O 3.24Å; T102-K124 WeakPolarHBondContact O-CD 3.36Å; T102-K124 WeakPolarHBondContact O-CE 3.12Å; T102-K124 PolarHBondContact O-NZ 3.29Å; T102-V136 HydrophobicContact CG2-CG2 4.05Å
103N97.5Very high97Very high95 Ų9548.8 Ų48.851%0.50828%0.276SS..SBendtrans-78.4016865.2-24.2000114.3L119 N120 A123N103-L119 WeakPolarHBondContact OD1-CA 3.5Å; N103-N120 PolarHBondContact N-O 3.09Å; N103-N120 PolarHBondContact OD1-N 2.72Å; N103-A123 HydrophobicContact CB-CB 3.79Å
104G97.5Very high96.9Very high18 Ų1856.5 Ų56.519%0.18631%0.309CS..  trans-96.2-174.2179.100000114.3T102T102-G104 PolarHBondContact O-N 3.21Å; T102-G104 PolarHBondContact OG1-N 3.34Å
105S98Very high97Very high89 Ų8958.5 Ų58.562%0.62232%0.319SS*.  trans-149.5145.6172.3-178.60000110D99D99-S105 WeakPolarHBondContact OD1-CA 3.2Å; D99-S105 VanDerWaalsContact OD1-CB 3.28Å; D99-S105 WeakPolarHBondContact OD1-CB 3.33Å; D99-S105 PolarHBondContact OD1-OG 3.37Å
106G97.4Very high97.2Very high28 Ų2856.9 Ų56.929%0.28931%0.31SS..SBendtrans122.4170.2177.300000113.6T97 V98 D99T97-G106 CarbonylContact C-O 3.54Å; T97-G106 WeakPolarHBondContact CA-O 3.15Å; T97-G106 VanDerWaalsContact CB-O 3.22Å; T97-G106 WeakPolarHBondContact CB-O 3.23Å; V98-G106 PolarHBondContact N-O 3.17Å; D99-G106 PolarHBondContact OD2-N 3.12Å; D99-G106 VanDerWaalsContact OD2-N 3.11Å
107R97.3Very high97.3Very high119 Ų11954.5 Ų54.545%0.44930%0.304SS..BIsolated β-bridgetrans-77.3135.1-177.9-61.5-177.767.275.3-0.3110.6E96 T97 A109 S110E96-R107 VanDerWaalsContact O-CA 3.31Å; E96-R107 WeakPolarHBondContact O-CA 3.49Å; E96-R107 IonicContact OE2-CZ 3.54Å; E96-R107 IonicContact OE2-NH1 2.8Å; E96-R107 PolarHBondContact OE2-NH1 3.3Å; E96-R107 IonicContact OE2-NH2 3.45Å; E96-R107 PolarHBondContact OE2-NH2 2.75Å; T97-R107 HydrophobicContact CG2-CG 4.22Å; R107-A109 VanDerWaalsContact C-N 3.26Å; R107-A109 PolarHBondContact O-N 2.78Å; R107-S110 WeakPolarHBondContact O-CB 3.12Å; R107-S110 PolarHBondContact O-N 3.3Å
108I95.9Very high97.3Very high7 Ų757 Ų574%0.03632%0.32CS..G310 helixtrans-58.8-40178.6-169.266.3000112V91 E96 V98 S110 M111 V116V91-I108 HydrophobicContact CG2-CD1 4.04Å; V91-I108 HydrophobicContact CG2-CG1 4.08Å; E96-I108 PolarHBondContact O-N 3.25Å; V98-I108 HydrophobicContact CG1-CD1 3.96Å; I108-S110 PolarHBondContact O-N 3.13Å; I108-M111 PolarHBondContact O-N 2.86Å; I108-M111 VanDerWaalsContact O-N 3.08Å; I108-V116 HydrophobicContact CD1-CB 4.37Å; I108-V116 HydrophobicContact CD1-CG1 3.92Å; I108-V116 HydrophobicContact CD1-CG2 3.45Å; I108-V116 VanDerWaalsContact CD1-CG2 3.45Å
109A95.3Very high97.3Very high61 Ų6157.6 Ų57.650%0.50432%0.323SS..G310 helixtrans-68-0.6177.300000114.4R107R107-A109 VanDerWaalsContact C-N 3.26Å; R107-A109 PolarHBondContact O-N 2.78Å
110S97.3Very high97.3Very high86 Ų8656.2 Ų56.260%0.60132%0.315SS*.G310 helixtrans-113.82.3176.1-56.90000113.1R107 I108R107-S110 WeakPolarHBondContact O-CB 3.12Å; R107-S110 PolarHBondContact O-N 3.3Å; I108-S110 PolarHBondContact O-N 3.13Å
111M97.9Very high97.3Very high29 Ų2951.6 Ų51.614%0.14330%0.3CS..SBendtrans-115.7140.9179-58.5-179.670.900109.7T85 A86 V98 I108 E115 V116 L119T85-M111 CarbonylContact C-O 3.04Å; T85-M111 WeakPolarHBondContact CA-O 3.25Å; T85-M111 VanDerWaalsContact CB-O 3.25Å; T85-M111 WeakPolarHBondContact CB-O 3.32Å; A86-M111 WeakPolarHBondContact CB-O 3.14Å; A86-M111 PolarHBondContact N-O 3.11Å; V98-M111 HydrophobicContact CG1-SD 4.12Å; V98-M111 HydrophobicContact CG2-SD 4.17Å; I108-M111 PolarHBondContact O-N 2.86Å; I108-M111 VanDerWaalsContact O-N 3.08Å; M111-E115 HydrophobicContact CB-CB 4.33Å; M111-E115 HydrophobicContact CE-CB 4.01Å; M111-V116 HydrophobicContact CB-CG2 3.58Å; M111-V116 HydrophobicContact CE-CG2 4.37Å; M111-V116 HydrophobicContact SD-CG2 4.34Å; M111-L119 HydrophobicContact CE-CD1 3.9Å; M111-L119 HydrophobicContact CE-CD2 4.39Å; M111-L119 HydrophobicContact CE-CG 4.33Å; M111-L119 HydrophobicContact SD-CD1 4.35Å
112T97.8Very high97.3Very high49 Ų4951 Ų5130%0.30130%0.296SS..  trans-72.2158.9169.958.70000111.3D87 K114 E115 V116D87-T112 WeakPolarHBondContact OD1-CA 3.41Å; T112-K114 PolarHBondContact O-N 3.23Å; T112-E115 PolarHBondContact N-OE2 2.71Å; T112-E115 PolarHBondContact O-N 2.68Å; T112-E115 VanDerWaalsContact OG1-CG 3.3Å; T112-E115 WeakPolarHBondContact OG1-CG 3.41Å; T112-E115 PolarHBondContact OG1-N 3.3Å; T112-E115 PolarHBondContact OG1-OE2 2.7Å; T112-V116 WeakPolarHBondContact O-CG2 3.12Å; T112-V116 PolarHBondContact O-N 3.42Å
113D96.2Very high97.3Very high51 Ų5153.4 Ų53.427%0.27332%0.316SS..Hα-helixtrans-53.4-40.6173.8179.862000112.1T85 D87 T89 E115 V116 A117T85-D113 HydrophobicContact CG2-CB 4.47Å; D87-D113 PolarHBondContact OD1-N 2.91Å; D87-D113 PolarHBondContact OD2-N 2.87Å; D87-D113 VanDerWaalsContact OD2-N 3.16Å; T89-D113 HydrophobicContact CG2-CB 4.1Å; D113-E115 PolarHBondContact O-N 3.07Å; D113-V116 PolarHBondContact O-N 2.94Å; D113-A117 VanDerWaalsContact O-CB 3.29Å; D113-A117 WeakPolarHBondContact O-CB 3.16Å; D113-A117 PolarHBondContact O-N 3.04Å
114K97Very high97.2Very high168 Ų16854.3 Ų54.373%0.7332%0.315SS*.Hα-helixtrans-60.9-41.7177.1-174.1177.8177.9-178.60112.6T112 T118T112-K114 PolarHBondContact O-N 3.23Å; K114-T118 WeakPolarHBondContact O-CG2 3.29Å
115E98Very high97.2Very high96 Ų9655.3 Ų55.345%0.44931%0.314SS..Hα-helixtrans-68.9-43.9177-71.8163.6138.700111M111 T112 D113 A117 T118M111-E115 HydrophobicContact CB-CB 4.33Å; M111-E115 HydrophobicContact CE-CB 4.01Å; T112-E115 PolarHBondContact N-OE2 2.71Å; T112-E115 PolarHBondContact O-N 2.68Å; T112-E115 VanDerWaalsContact OG1-CG 3.3Å; T112-E115 WeakPolarHBondContact OG1-CG 3.41Å; T112-E115 PolarHBondContact OG1-N 3.3Å; T112-E115 PolarHBondContact OG1-OE2 2.7Å; D113-E115 PolarHBondContact O-N 3.07Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 3.25Å; E115-T118 PolarHBondContact O-N 3.42Å; E115-T118 VanDerWaalsContact O-N 3.16Å; E115-T118 PolarHBondContact O-OG1 3.43Å
116V97.8Very high96.9Very high0 Ų059.7 Ų59.70%032%0.318CS..Hα-helixtrans-62.1-39.6178.9171.80000111.7T85 I108 M111 T112 D113 T118 L119 V136T85-V116 HydrophobicContact CG2-CB 4.46Å; T85-V116 HydrophobicContact CG2-CG2 4.03Å; I108-V116 HydrophobicContact CD1-CB 4.37Å; I108-V116 HydrophobicContact CD1-CG1 3.92Å; I108-V116 HydrophobicContact CD1-CG2 3.45Å; I108-V116 VanDerWaalsContact CD1-CG2 3.45Å; M111-V116 HydrophobicContact CB-CG2 3.58Å; M111-V116 HydrophobicContact CE-CG2 4.37Å; M111-V116 HydrophobicContact SD-CG2 4.34Å; T112-V116 WeakPolarHBondContact O-CG2 3.12Å; T112-V116 PolarHBondContact O-N 3.42Å; D113-V116 PolarHBondContact O-N 2.94Å; V116-T118 PolarHBondContact O-N 3.45Å; V116-L119 VanDerWaalsContact O-CB 3.31Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 WeakPolarHBondContact O-CG 3.19Å; V116-L119 PolarHBondContact O-N 2.94Å; V116-V136 HydrophobicContact CG1-CB 3.6Å; V116-V136 HydrophobicContact CG1-CG1 3.64Å; V116-V136 HydrophobicContact CG1-CG2 4.07Å
117A95.7Very high96.5Very high31 Ų3161.7 Ų61.726%0.25632%0.322SS..THydrogen-bonded Turntrans-65.3-16.5178.200000114D113 E115D113-A117 VanDerWaalsContact O-CB 3.29Å; D113-A117 WeakPolarHBondContact O-CB 3.16Å; D113-A117 PolarHBondContact O-N 3.04Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 3.25Å
118T97.4Very high96.1Very high95 Ų9556.4 Ų56.458%0.58330%0.304SS*.THydrogen-bonded Turntrans-82-14.117470.30000113.7K114 E115 V116K114-T118 WeakPolarHBondContact O-CG2 3.29Å; E115-T118 PolarHBondContact O-N 3.42Å; E115-T118 VanDerWaalsContact O-N 3.16Å; E115-T118 PolarHBondContact O-OG1 3.43Å; V116-T118 PolarHBondContact O-N 3.45Å
119L98.2Very high95.8Very high13 Ų1362.1 Ų62.17%0.06834%0.34CS..SBendtrans-77.2141.6-179-57.3-178.8000110.9V98 T102 N103 M111 V116 K135 V136V98-L119 HydrophobicContact CB-CD1 3.77Å; V98-L119 HydrophobicContact CG1-CD1 3.76Å; V98-L119 HydrophobicContact CG2-CD1 3.78Å; T102-L119 HydrophobicContact CG2-CB 4.26Å; T102-L119 HydrophobicContact CG2-CD1 4.28Å; N103-L119 WeakPolarHBondContact OD1-CA 3.5Å; M111-L119 HydrophobicContact CE-CD1 3.9Å; M111-L119 HydrophobicContact CE-CD2 4.39Å; M111-L119 HydrophobicContact CE-CG 4.33Å; M111-L119 HydrophobicContact SD-CD1 4.35Å; V116-L119 VanDerWaalsContact O-CB 3.31Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 WeakPolarHBondContact O-CG 3.19Å; V116-L119 PolarHBondContact O-N 2.94Å; L119-K135 WeakPolarHBondContact O-CA 3.44Å; L119-V136 HydrophobicContact CB-CG2 4.41Å
120N98.2Very high95.6Very high28 Ų2860.9 Ų60.915%0.1533%0.329CS..BIsolated β-bridgetrans-94.1104.1171.7-175.60.6000110.2T102 N103 A122 A123 F133 E134T102-N120 VanDerWaalsContact CA-O 3.28Å; T102-N120 WeakPolarHBondContact CA-O 3.24Å; N103-N120 PolarHBondContact N-O 3.09Å; N103-N120 PolarHBondContact OD1-N 2.72Å; N120-A122 PolarHBondContact O-N 2.87Å; N120-A122 WeakPolarHBondContact OD1-CB 3.39Å; N120-A122 PolarHBondContact OD1-N 3.34Å; N120-A123 HydrophobicContact CB-CB 4.1Å; N120-A123 VanDerWaalsContact O-CB 3.23Å; N120-A123 WeakPolarHBondContact O-CB 3.39Å; N120-A123 PolarHBondContact O-N 3.08Å; N120-F133 HydrophobicContact CB-CD2 3.68Å; N120-F133 HydrophobicContact CB-CE2 3.77Å; N120-E134 CarbonylContact C-O 3.57Å; N120-E134 WeakPolarHBondContact CA-O 3.24Å; N120-E134 PolarHBondContact OD1-N 3.02Å; N120-E134 VanDerWaalsContact OD1-N 3.12Å; N120-E134 PolarHBondContact OD1-O 2.75Å
121A98.1Very high95.4Very high8 Ų858.1 Ų58.17%0.06631%0.306CS..THydrogen-bonded Turntrans-70.4-9.5176.200000114.3T63 T101 E134 V136T63-A121 HydrophobicContact CG2-CB 3.62Å; T101-A121 CarbonylContact O-C 3.4Å; T101-A121 VanDerWaalsContact O-O 3.12Å; A121-E134 PolarHBondContact N-O 3.36Å; A121-V136 HydrophobicContact CB-CG2 4.1Å
122A97.6Very high95.2Very high1 Ų158.5 Ų58.51%0.00832%0.318CS..THydrogen-bonded Turntrans-92.8-8.7170.200000113.6P60 N120 K124 F125 G128 F131 E134P60-A122 HydrophobicContact CB-CB 4Å; P60-A122 HydrophobicContact CG-CB 3.67Å; N120-A122 PolarHBondContact O-N 2.87Å; N120-A122 WeakPolarHBondContact OD1-CB 3.39Å; N120-A122 PolarHBondContact OD1-N 3.34Å; A122-K124 VanDerWaalsContact C-N 3.27Å; A122-K124 PolarHBondContact O-N 3.47Å; A122-K124 VanDerWaalsContact O-N 3.14Å; A122-F125 WeakPolarHBondContact O-CB 3.47Å; A122-F125 PolarHBondContact O-N 3.49Å; A122-F125 VanDerWaalsContact O-N 3.08Å; A122-G128 WeakPolarHBondContact O-CA 3.38Å; A122-F131 HydrophobicContact CB-CB 4.28Å; A122-E134 HydrophobicContact CB-CB 4Å; A122-E134 HydrophobicContact CB-CG 4.1Å
123A96.9Very high95.2Very high50 Ų5061.9 Ų61.941%0.41333%0.329SS..THydrogen-bonded Turntrans-60.1-32.3-168.500000114.7N103 N120N103-A123 HydrophobicContact CB-CB 3.79Å; N120-A123 HydrophobicContact CB-CB 4.1Å; N120-A123 VanDerWaalsContact O-CB 3.23Å; N120-A123 WeakPolarHBondContact O-CB 3.39Å; N120-A123 PolarHBondContact O-N 3.08Å
124K96.7Very high95.3Very high114 Ų11461.2 Ų61.250%0.49632%0.324SS..THydrogen-bonded Turntrans-105.32.8-179.5-69.2178.1175.7147.40113.2D99 R100 T102 A122D99-K124 WeakPolarHBondContact O-CD 3.5Å; D99-K124 PolarHBondContact O-NZ 3.04Å; R100-K124 WeakPolarHBondContact O-CB 3.4Å; R100-K124 VanDerWaalsContact O-CD 3.23Å; R100-K124 WeakPolarHBondContact O-CD 3.14Å; T102-K124 WeakPolarHBondContact O-CD 3.36Å; T102-K124 WeakPolarHBondContact O-CE 3.12Å; T102-K124 PolarHBondContact O-NZ 3.29Å; A122-K124 VanDerWaalsContact C-N 3.27Å; A122-K124 PolarHBondContact O-N 3.47Å; A122-K124 VanDerWaalsContact O-N 3.14Å
125F96.3Very high95.3Very high38 Ų3856.5 Ų56.517%0.16730%0.303CS..SBendtrans-74.4142.5176.1-175.1-110.6000110.8A59 P60 A122 N127 G128 F131A59-F125 VanDerWaalsContact C-CE2 3.47Å; A59-F125 VanDerWaalsContact C-CZ 3.45Å; A59-F125 VanDerWaalsContact CA-CZ 3.5Å; A59-F125 VanDerWaalsContact N-CZ 3.32Å; A59-F125 VanDerWaalsContact O-CE2 3.27Å; A59-F125 WeakPolarHBondContact O-CE2 3.07Å; P60-F125 HydrophobicContact CB-CB 3.99Å; P60-F125 HydrophobicContact CB-CD1 4.42Å; P60-F125 HydrophobicContact CB-CG 4.06Å; P60-F125 HydrophobicContact CG-CB 3.91Å; P60-F125 HydrophobicContact CG-CD1 3.65Å; P60-F125 HydrophobicContact CG-CE1 4.39Å; P60-F125 HydrophobicContact CG-CG 3.79Å; A122-F125 WeakPolarHBondContact O-CB 3.47Å; A122-F125 PolarHBondContact O-N 3.49Å; A122-F125 VanDerWaalsContact O-N 3.08Å; F125-N127 PolarHBondContact O-N 2.94Å; F125-G128 PolarHBondContact O-N 2.79Å; F125-F131 HydrophobicContact CD1-CD2 4.11Å; F125-F131 AromaticContact CD1-CE2 3.98Å; F125-F131 HydrophobicContact CD1-CE2 3.98Å; F125-F131 HydrophobicContact CE1-CD2 4.24Å; F125-F131 AromaticContact CE1-CE2 3.65Å; F125-F131 HydrophobicContact CE1-CE2 3.65Å; F125-F131 HydrophobicContact CE1-CZ 4.3Å
126R93Very high95.3Very high182 Ų18252 Ų5269%0.68728%0.282SS*.THydrogen-bonded Turntrans-64.2121.5174.8178.6-177.462.6-158.7-5.4108.6L57 G128L57-R126 PolarHBondContact O-NH2 2.83Å; L57-R126 VanDerWaalsContact O-NH2 3.1Å; R126-G128 VanDerWaalsContact C-N 3.26Å
127N88Confident95.3Very high70 Ų7052 Ų5237%0.37428%0.282SS..THydrogen-bonded Turntrans64.926.7-170.6-159.129.9000113.7F125 T129 A130 S318F125-N127 PolarHBondContact O-N 2.94Å; N127-T129 PolarHBondContact O-N 3.3Å; N127-T129 VanDerWaalsContact O-N 3.1Å; N127-A130 WeakPolarHBondContact O-CB 3.2Å; N127-A130 PolarHBondContact O-N 3Å; N127-S318 PolarHBondContact ND2-OG 3.05Å
128G87.9Confident95.4Very high8 Ų851.5 Ų51.58%0.08228%0.277CS..G310 helixtrans-56.7-25.4178.500000114.3A122 F125 R126 A130 F131 G132A122-G128 WeakPolarHBondContact O-CA 3.38Å; F125-G128 PolarHBondContact O-N 2.79Å; R126-G128 VanDerWaalsContact C-N 3.26Å; G128-A130 PolarHBondContact O-N 3.42Å; G128-F131 PolarHBondContact O-N 2.96Å; G128-G132 PolarHBondContact O-N 2.95Å
129T90.1Very high95.4Very high127 Ų12747.1 Ų47.178%0.77925%0.25SS*.G310 helixtrans-58.6-31172.946.20000113.5N127 F131 G132N127-T129 PolarHBondContact O-N 3.3Å; N127-T129 VanDerWaalsContact O-N 3.1Å; T129-F131 PolarHBondContact O-N 2.86Å; T129-G132 PolarHBondContact O-N 2.87Å
130A91.7Very high95.4Very high35 Ų3551.2 Ų51.229%0.28927%0.267SS..G310 helixtrans-69.3-20.4176.800000113N127 G128N127-A130 WeakPolarHBondContact O-CB 3.2Å; N127-A130 PolarHBondContact O-N 3Å; G128-A130 PolarHBondContact O-N 3.42Å
131F93.2Very high95.4Very high27 Ų2753 Ų5312%0.11828%0.275CS..G310 helixtrans-93.5-13.1176.3-66.4-92.7000112.5A59 P60 A65 F69 A122 F125 G128 T129 E134 L317A59-F131 HydrophobicContact CB-CE1 3.81Å; A59-F131 HydrophobicContact CB-CZ 3.85Å; P60-F131 HydrophobicContact CG-CB 4Å; P60-F131 HydrophobicContact CG-CD1 4.07Å; P60-F131 HydrophobicContact CG-CD2 3.88Å; P60-F131 HydrophobicContact CG-CE2 4.41Å; P60-F131 HydrophobicContact CG-CG 3.7Å; A65-F131 HydrophobicContact CB-CD1 3.84Å; F69-F131 HydrophobicContact CD2-CE1 4.45Å; A122-F131 HydrophobicContact CB-CB 4.28Å; F125-F131 HydrophobicContact CD1-CD2 4.11Å; F125-F131 AromaticContact CD1-CE2 3.98Å; F125-F131 HydrophobicContact CD1-CE2 3.98Å; F125-F131 HydrophobicContact CE1-CD2 4.24Å; F125-F131 AromaticContact CE1-CE2 3.65Å; F125-F131 HydrophobicContact CE1-CE2 3.65Å; F125-F131 HydrophobicContact CE1-CZ 4.3Å; G128-F131 PolarHBondContact O-N 2.96Å; T129-F131 PolarHBondContact O-N 2.86Å; F131-E134 HydrophobicContact CB-CG 4.36Å; F131-L317 HydrophobicContact CE1-CD1 4.36Å; F131-L317 HydrophobicContact CZ-CD1 4.17Å
132G93.7Very high95.4Very high37 Ų3752.7 Ų52.738%0.38127%0.272SS..  trans72.1-147.9-177.800000113.1G128 T129G128-G132 PolarHBondContact O-N 2.95Å; T129-G132 PolarHBondContact O-N 2.87Å
133F97.3Very high95.4Very high121 Ų12152.7 Ų52.753%0.53127%0.272SS..  trans-84.3114174.1176.7-90.8000109.4N120 K135N120-F133 HydrophobicContact CB-CD2 3.68Å; N120-F133 HydrophobicContact CB-CE2 3.77Å; F133-K135 HydrophobicContact CE1-CB 3.88Å; F133-K135 HydrophobicContact CZ-CB 4.25Å
134E97.6Very high95.4Very high36 Ų3653.8 Ų53.817%0.16827%0.271CS..  trans-110115.2170.7-72.1-66.1124.500108.4T63 A65 N120 A121 A122 F131T63-E134 HydrophobicContact CG2-CB 3.85Å; T63-E134 HydrophobicContact CG2-CG 4.38Å; A65-E134 HydrophobicContact CB-CG 4Å; A65-E134 VanDerWaalsContact CB-OE2 3.28Å; A65-E134 WeakPolarHBondContact CB-OE2 3.45Å; A65-E134 PolarHBondContact N-OE2 2.81Å; N120-E134 CarbonylContact C-O 3.57Å; N120-E134 WeakPolarHBondContact CA-O 3.24Å; N120-E134 PolarHBondContact OD1-N 3.02Å; N120-E134 VanDerWaalsContact OD1-N 3.12Å; N120-E134 PolarHBondContact OD1-O 2.75Å; A121-E134 PolarHBondContact N-O 3.36Å; A122-E134 HydrophobicContact CB-CB 4Å; A122-E134 HydrophobicContact CB-CG 4.1Å; F131-E134 HydrophobicContact CB-CG 4.36Å
135K97.3Very high95.5Very high69 Ų6949 Ų4930%0.325%0.25SS..BIsolated β-bridgetrans-69159.717166.8170.9-173.41620110.8L119 F133 P137 E141L119-K135 WeakPolarHBondContact O-CA 3.44Å; F133-K135 HydrophobicContact CE1-CB 3.88Å; F133-K135 HydrophobicContact CZ-CB 4.25Å; K135-P137 VanDerWaalsContact O-CD 3.27Å; K135-P137 WeakPolarHBondContact O-CD 3.5Å; K135-E141 WeakPolarHBondContact CE-OE1 3.47Å; K135-E141 WeakPolarHBondContact CE-OE2 3.39Å; K135-E141 IonicContact NZ-OE1 2.63Å; K135-E141 PolarHBondContact NZ-OE1 2.03Å; K135-E141 IonicContact NZ-OE2 3.1Å; K135-E141 PolarHBondContact NZ-OE2 3.41Å; K135-E141 VanDerWaalsContact NZ-OE2 3.1Å
136V98.2Very high95.6Very high2 Ų247.2 Ų47.21%0.01224%0.242CC..PPolyproline II helixtrans-67.4116.2161.9179.10000107.8V91 L92 M93 T102 V116 L119 A121V91-V136 HydrophobicContact CB-CG1 4.16Å; V91-V136 HydrophobicContact CG2-CG1 4.47Å; L92-V136 WeakPolarHBondContact O-CG1 3.44Å; M93-V136 HydrophobicContact CE-CG1 4.16Å; M93-V136 HydrophobicContact CE-CG2 3.91Å; T102-V136 HydrophobicContact CG2-CG2 4.05Å; V116-V136 HydrophobicContact CG1-CB 3.6Å; V116-V136 HydrophobicContact CG1-CG1 3.64Å; V116-V136 HydrophobicContact CG1-CG2 4.07Å; L119-V136 HydrophobicContact CB-CG2 4.41Å; A121-V136 HydrophobicContact CB-CG2 4.1Å
137P98Very high95.7Very high0 Ų040.9 Ų40.90%022%0.224CC..PPolyproline II helixtrans-81.4152.5-175.831.9-32.8000112N62 L64 V91 L92 K135N62-P137 WeakPolarHBondContact O-CD 3.47Å; N62-P137 VanDerWaalsContact O-CG 3.3Å; N62-P137 WeakPolarHBondContact O-CG 3.02Å; L64-P137 HydrophobicContact CD2-CB 3.77Å; L64-P137 HydrophobicContact CD2-CG 4.26Å; L64-P137 HydrophobicContact CG-CB 3.87Å; L64-P137 HydrophobicContact CG-CG 4.4Å; V91-P137 WeakPolarHBondContact CA-O 3.33Å; L92-P137 HydrophobicContact CB-CG 3.93Å; L92-P137 HydrophobicContact CD1-CG 3.73Å; L92-P137 HydrophobicContact CG-CG 3.82Å; L92-P137 PolarHBondContact N-O 2.91Å; K135-P137 VanDerWaalsContact O-CD 3.27Å; K135-P137 WeakPolarHBondContact O-CD 3.5Å
138S97.7Very high96.2Very high21 Ų2145 Ų4515%0.14724%0.241CC..BIsolated β-bridgetrans-70.1155.4164.665.40000110.7A90 K140 E141 A142A90-S138 WeakPolarHBondContact O-CA 3.49Å; S138-K140 PolarHBondContact O-N 3.14Å; S138-E141 PolarHBondContact N-OE2 3.25Å; S138-E141 PolarHBondContact O-N 3.23Å; S138-E141 WeakPolarHBondContact OG-CB 3.46Å; S138-E141 WeakPolarHBondContact OG-CG 3.39Å; S138-E141 PolarHBondContact OG-N 3.35Å; S138-E141 VanDerWaalsContact OG-N 3.16Å; S138-E141 PolarHBondContact OG-OE2 3.03Å; S138-A142 PolarHBondContact O-N 3.05Å; S138-A142 VanDerWaalsContact O-N 3.15Å
139L98Very high96.6Very high3 Ų346.5 Ų46.52%0.01625%0.247CC..Hα-helixtrans-57.9-38.7173176.360.4000111.3V82 A90 L92 A142 A143 I155 I168 L171V82-L139 HydrophobicContact CG1-CD2 4.4Å; V82-L139 HydrophobicContact CG2-CB 4.38Å; V82-L139 HydrophobicContact CG2-CD1 3.7Å; V82-L139 HydrophobicContact CG2-CD2 4.06Å; V82-L139 HydrophobicContact CG2-CG 4.24Å; A90-L139 HydrophobicContact CB-CB 3.99Å; A90-L139 HydrophobicContact CB-CD2 4.3Å; A90-L139 PolarHBondContact O-N 2.74Å; L92-L139 HydrophobicContact CD2-CD1 4.07Å; L139-A142 PolarHBondContact O-N 3.18Å; L139-A143 WeakPolarHBondContact O-CB 3.24Å; L139-A143 PolarHBondContact O-N 3.36Å; L139-I155 HydrophobicContact CD1-CD1 4Å; L139-I155 HydrophobicContact CD1-CG1 4.09Å; L139-I155 HydrophobicContact CD1-CG2 4.1Å; L139-I155 HydrophobicContact CD2-CD1 4.49Å; L139-I155 HydrophobicContact CD2-CG2 4.36Å; L139-I168 HydrophobicContact CD2-CG1 3.68Å; L139-L171 HydrophobicContact CD2-CD2 3.91Å; L139-L171 HydrophobicContact CG-CD2 3.72Å
140K97.5Very high96.8Very high99 Ų9946.8 Ų46.843%0.4324%0.243SC..Hα-helixtrans-61.2-45.4178-177.1164.3-179.4158.80111.8S138 A142 A143 L144 L171 E174S138-K140 PolarHBondContact O-N 3.14Å; K140-A142 PolarHBondContact O-N 2.85Å; K140-A143 PolarHBondContact O-N 3.29Å; K140-L144 HydrophobicContact CG-CD1 4.04Å; K140-L144 HydrophobicContact CG-CG 4.43Å; K140-L144 WeakPolarHBondContact O-CB 2.96Å; K140-L144 VanDerWaalsContact O-CG 3.24Å; K140-L144 WeakPolarHBondContact O-CG 3.34Å; K140-L144 PolarHBondContact O-N 3.44Å; K140-L171 HydrophobicContact CB-CD1 4.09Å; K140-L171 HydrophobicContact CG-CD1 3.94Å; K140-E174 IonicContact NZ-OE1 3.82Å; K140-E174 IonicContact NZ-OE2 2.68Å; K140-E174 PolarHBondContact NZ-OE2 3.4Å
141E98Very high97Very high66 Ų6645.3 Ų45.331%0.30823%0.231SC..Hα-helixtrans-61.2-43.7176.5-74.1169.4135.900112.3L64 K135 S138 L145L64-E141 HydrophobicContact CD2-CB 4.4Å; K135-E141 WeakPolarHBondContact CE-OE1 3.47Å; K135-E141 WeakPolarHBondContact CE-OE2 3.39Å; K135-E141 IonicContact NZ-OE1 2.63Å; K135-E141 PolarHBondContact NZ-OE1 2.03Å; K135-E141 IonicContact NZ-OE2 3.1Å; K135-E141 PolarHBondContact NZ-OE2 3.41Å; K135-E141 VanDerWaalsContact NZ-OE2 3.1Å; S138-E141 PolarHBondContact N-OE2 3.25Å; S138-E141 PolarHBondContact O-N 3.23Å; S138-E141 WeakPolarHBondContact OG-CB 3.46Å; S138-E141 WeakPolarHBondContact OG-CG 3.39Å; S138-E141 PolarHBondContact OG-N 3.35Å; S138-E141 VanDerWaalsContact OG-N 3.16Å; S138-E141 PolarHBondContact OG-OE2 3.03Å; E141-L145 WeakPolarHBondContact O-CB 3.32Å; E141-L145 PolarHBondContact O-N 3.15Å
142A98.3Very high97.2Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-65-44.5178.300000112.3L64 I67 L92 S138 L139 K140 L145 V146 M153L64-A142 HydrophobicContact CD2-CB 4.31Å; I67-A142 HydrophobicContact CD1-CB 3.74Å; L92-A142 HydrophobicContact CD1-CB 3.59Å; L92-A142 HydrophobicContact CD2-CB 4.32Å; L92-A142 HydrophobicContact CG-CB 4.13Å; S138-A142 PolarHBondContact O-N 3.05Å; S138-A142 VanDerWaalsContact O-N 3.15Å; L139-A142 PolarHBondContact O-N 3.18Å; K140-A142 PolarHBondContact O-N 2.85Å; A142-L145 PolarHBondContact O-N 2.75Å; A142-V146 WeakPolarHBondContact O-CG2 3.48Å; A142-V146 PolarHBondContact O-N 3.01Å; A142-M153 HydrophobicContact CB-CE 3.91Å
143A98.2Very high97.5Very high1 Ų143.8 Ų43.81%0.00821%0.214CC..Hα-helixtrans-64.9-43.8179.400000112.2L139 K140 L145 V146 V147 L171 L178L139-A143 WeakPolarHBondContact O-CB 3.24Å; L139-A143 PolarHBondContact O-N 3.36Å; K140-A143 PolarHBondContact O-N 3.29Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.29Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V147 WeakPolarHBondContact O-CG2 3.38Å; A143-V147 PolarHBondContact O-N 2.79Å; A143-L171 HydrophobicContact CB-CD1 4.29Å; A143-L171 HydrophobicContact CB-CD2 3.78Å; A143-L171 HydrophobicContact CB-CG 4.39Å; A143-L178 HydrophobicContact CB-CD1 4.2Å; A143-L178 HydrophobicContact CB-CD2 4.15Å
144L97.8Very high97.5Very high74 Ų7438 Ų3839%0.38719%0.188SC..Hα-helixtrans-61.8-41.7175.7-70.7176.3000111.7K140 V146 V147 E148 N175K140-L144 HydrophobicContact CG-CD1 4.04Å; K140-L144 HydrophobicContact CG-CG 4.43Å; K140-L144 WeakPolarHBondContact O-CB 2.96Å; K140-L144 VanDerWaalsContact O-CG 3.24Å; K140-L144 WeakPolarHBondContact O-CG 3.34Å; K140-L144 PolarHBondContact O-N 3.44Å; L144-V146 PolarHBondContact O-N 3.3Å; L144-V147 PolarHBondContact O-N 2.78Å; L144-E148 WeakPolarHBondContact O-CB 3.47Å; L144-E148 PolarHBondContact O-N 3.29Å; L144-N175 WeakPolarHBondContact CD2-OD1 3.36Å
145L98.1Very high97.6Very high13 Ų1336.3 Ų36.37%0.06818%0.18CC..Hα-helixtrans-63-40.9175.3177.963.6000112L64 I67 K68 E141 A142 A143 V147 E148 L149L64-L145 HydrophobicContact CB-CD2 3.89Å; L64-L145 HydrophobicContact CD2-CD2 3.8Å; L64-L145 HydrophobicContact CG-CD2 4.33Å; I67-L145 HydrophobicContact CB-CD2 3.99Å; I67-L145 HydrophobicContact CD1-CD2 4.4Å; I67-L145 HydrophobicContact CG2-CD2 3.87Å; I67-L145 HydrophobicContact CG2-CG 4.14Å; K68-L145 HydrophobicContact CG-CD1 4.33Å; K68-L145 HydrophobicContact CG-CD2 4.14Å; E141-L145 WeakPolarHBondContact O-CB 3.32Å; E141-L145 PolarHBondContact O-N 3.15Å; A142-L145 PolarHBondContact O-N 2.75Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.29Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 2.71Å; L145-E148 PolarHBondContact O-N 2.65Å; L145-L149 HydrophobicContact CD1-CD1 3.83Å; L145-L149 HydrophobicContact CD1-CG 3.96Å; L145-L149 HydrophobicContact CG-CD1 3.85Å; L145-L149 HydrophobicContact CG-CG 4.34Å; L145-L149 WeakPolarHBondContact O-CB 3.44Å; L145-L149 VanDerWaalsContact O-CG 3.23Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 2.67Å
146V97.3Very high97.6Very high0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-62-41.3176.2162.20000111.6I67 V78 A142 A143 L144 L149 N150 M151 M153I67-V146 HydrophobicContact CG2-CG2 3.95Å; V78-V146 HydrophobicContact CG1-CG2 3.78Å; A142-V146 WeakPolarHBondContact O-CG2 3.48Å; A142-V146 PolarHBondContact O-N 3.01Å; A143-V146 PolarHBondContact O-N 2.92Å; L144-V146 PolarHBondContact O-N 3.3Å; V146-L149 PolarHBondContact O-N 2.93Å; V146-N150 PolarHBondContact O-N 2.93Å; V146-M151 HydrophobicContact CG1-CB 4.15Å; V146-M151 WeakPolarHBondContact CG1-O 3.47Å; V146-M151 PolarHBondContact O-N 2.87Å; V146-M153 HydrophobicContact CB-CE 4.46Å; V146-M153 HydrophobicContact CG1-CB 3.89Å; V146-M153 HydrophobicContact CG2-CB 4.2Å; V146-M153 HydrophobicContact CG2-CE 3.47Å; V146-M153 VanDerWaalsContact CG2-CE 3.47Å; V146-M153 HydrophobicContact CG2-SD 4.27Å
147V96.2Very high97.5Very high49 Ų4933.3 Ų33.330%0.29717%0.168SC..Hα-helixtrans-63.3-47.2174.9172.60000110.7A143 L144 L145 L149 N150 S177 L178A143-V147 WeakPolarHBondContact O-CG2 3.38Å; A143-V147 PolarHBondContact O-N 2.79Å; L144-V147 PolarHBondContact O-N 2.78Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 2.71Å; V147-L149 VanDerWaalsContact C-N 3.3Å; V147-L149 PolarHBondContact O-N 3.5Å; V147-N150 PolarHBondContact O-N 2.65Å; V147-N150 VanDerWaalsContact O-N 3.08Å; V147-S177 WeakPolarHBondContact CG1-OG 3.49Å; V147-S177 VanDerWaalsContact CG2-OG 3.31Å; V147-S177 WeakPolarHBondContact CG2-OG 3.32Å; V147-L178 HydrophobicContact CG2-CD2 3.72Å; V147-L178 HydrophobicContact CG2-CG 4.39Å
148E97.2Very high97.1Very high156 Ų15634.8 Ų34.873%0.72917%0.174SC*.Hα-helixtrans-56.8-43.1176.6-175.7-170153.200111.9L144 L145 N150L144-E148 WeakPolarHBondContact O-CB 3.47Å; L144-E148 PolarHBondContact O-N 3.29Å; L145-E148 PolarHBondContact O-N 2.65Å; E148-N150 PolarHBondContact O-N 2.81Å
149L96.8Very high96.4Very high41 Ų4138 Ų3822%0.21518%0.183CC..THydrogen-bonded Turntrans-79-0.9-179.6-66176.7000113.7I67 K68 K71 L145 V146 V147 M151I67-L149 HydrophobicContact CG2-CD1 4.04Å; K68-L149 HydrophobicContact CG-CD1 4.27Å; K71-L149 HydrophobicContact CB-CD1 4.06Å; K71-L149 HydrophobicContact CD-CB 4.32Å; K71-L149 WeakPolarHBondContact CE-O 3.45Å; K71-L149 HydrophobicContact CG-CB 4.16Å; K71-L149 HydrophobicContact CG-CD1 4.33Å; K71-L149 HydrophobicContact CG-CD2 4.34Å; K71-L149 PolarHBondContact NZ-O 2.76Å; L145-L149 HydrophobicContact CD1-CD1 3.83Å; L145-L149 HydrophobicContact CD1-CG 3.96Å; L145-L149 HydrophobicContact CG-CD1 3.85Å; L145-L149 HydrophobicContact CG-CG 4.34Å; L145-L149 WeakPolarHBondContact O-CB 3.44Å; L145-L149 VanDerWaalsContact O-CG 3.23Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 2.67Å; V146-L149 PolarHBondContact O-N 2.93Å; V147-L149 VanDerWaalsContact C-N 3.3Å; V147-L149 PolarHBondContact O-N 3.5Å; L149-M151 HydrophobicContact CB-CB 4.3Å; L149-M151 PolarHBondContact O-N 2.87Å
150N95.4Very high95.6Very high132 Ų13240.3 Ų40.371%0.70620%0.2SC*.THydrogen-bonded Turntrans46.151.9-170.7-173.133.3000110.8K71 V146 V147 E148K71-N150 PolarHBondContact NZ-O 3.33Å; V146-N150 PolarHBondContact O-N 2.93Å; V147-N150 PolarHBondContact O-N 2.65Å; V147-N150 VanDerWaalsContact O-N 3.08Å; E148-N150 PolarHBondContact O-N 2.81Å
151M95.7Very high95.2Very high5 Ų537.9 Ų37.93%0.02519%0.191CC..  trans-111.4163.7178.5-162.7176.2-17100108.8I67 K71 A75 V78 V146 L149I67-M151 HydrophobicContact CG2-SD 4.47Å; K71-M151 HydrophobicContact CB-SD 4.03Å; K71-M151 HydrophobicContact CD-CB 4.41Å; K71-M151 HydrophobicContact CD-CG 4.48Å; K71-M151 HydrophobicContact CD-SD 4.47Å; A75-M151 HydrophobicContact CB-CE 3.8Å; A75-M151 WeakPolarHBondContact O-CE 3.27Å; V78-M151 HydrophobicContact CB-CE 3.98Å; V78-M151 HydrophobicContact CB-SD 4.28Å; V78-M151 HydrophobicContact CG1-SD 4.24Å; V146-M151 HydrophobicContact CG1-CB 4.15Å; V146-M151 WeakPolarHBondContact CG1-O 3.47Å; V146-M151 PolarHBondContact O-N 2.87Å; L149-M151 HydrophobicContact CB-CB 4.3Å; L149-M151 PolarHBondContact O-N 2.87Å
152K97.9Very high94.9Very high32 Ų3239.2 Ų39.214%0.13920%0.197CC..EExtended strand (participates in β ladder)trans-100.1156171.4-63.2169.2178.1-177.60110.6F42 F43 K45 L77 V78 T181F42-K152 WeakPolarHBondContact O-CE 3.46Å; F42-K152 PolarHBondContact O-NZ 2.8Å; F43-K152 VanDerWaalsContact C-NZ 3.32Å; F43-K152 HydrophobicContact CD2-CB 4.48Å; F43-K152 HydrophobicContact CE2-CB 4.12Å; F43-K152 VanDerWaalsContact O-CD 3.22Å; F43-K152 WeakPolarHBondContact O-CD 3.14Å; F43-K152 VanDerWaalsContact O-CE 3.26Å; F43-K152 WeakPolarHBondContact O-CE 3.47Å; F43-K152 PolarHBondContact O-NZ 2.86Å; K45-K152 PolarHBondContact O-NZ 3.15Å; L77-K152 CarbonylContact C-O 3.57Å; L77-K152 WeakPolarHBondContact CA-O 3.46Å; L77-K152 HydrophobicContact CB-CB 3.63Å; L77-K152 WeakPolarHBondContact CB-O 3.3Å; V78-K152 PolarHBondContact N-O 3.38Å; K152-T181 CarbonylContact C-O 3.57Å; K152-T181 WeakPolarHBondContact CA-O 3.46Å; K152-T181 WeakPolarHBondContact CB-O 3.29Å
153M98.4Very high94.7Very high0 Ų045.3 Ų45.30%022%0.22CC..EExtended strand (participates in β ladder)trans-134.2145.5179.5179174.8-95.800112.7F43 I67 V78 V80 A142 V146 I155 T181 A182 A183F43-M153 WeakPolarHBondContact CE2-O 3.38Å; I67-M153 HydrophobicContact CD1-CE 4.11Å; V78-M153 HydrophobicContact CG1-CB 4.3Å; V78-M153 HydrophobicContact CG1-CE 3.95Å; V78-M153 HydrophobicContact CG1-CG 4.36Å; V78-M153 CarbonylContact O-C 3.53Å; V78-M153 WeakPolarHBondContact O-CA 3.15Å; V80-M153 HydrophobicContact CB-CE 4.43Å; V80-M153 HydrophobicContact CG1-CE 3.84Å; V80-M153 HydrophobicContact CG2-CE 3.67Å; V80-M153 HydrophobicContact CG2-CG 4.16Å; V80-M153 HydrophobicContact CG2-SD 3.87Å; A142-M153 HydrophobicContact CB-CE 3.91Å; V146-M153 HydrophobicContact CB-CE 4.46Å; V146-M153 HydrophobicContact CG1-CB 3.89Å; V146-M153 HydrophobicContact CG2-CB 4.2Å; V146-M153 HydrophobicContact CG2-CE 3.47Å; V146-M153 VanDerWaalsContact CG2-CE 3.47Å; V146-M153 HydrophobicContact CG2-SD 4.27Å; M153-I155 HydrophobicContact CG-CG1 4.03Å; M153-I155 HydrophobicContact SD-CG1 3.96Å; M153-T181 PolarHBondContact N-O 3.14Å; M153-A182 HydrophobicContact CB-CB 4.37Å; M153-A182 CarbonylContact O-C 3.55Å; M153-A182 VanDerWaalsContact O-CA 3.25Å; M153-A182 WeakPolarHBondContact O-CA 3.09Å; M153-A183 PolarHBondContact O-N 3.1Å
154I98.6Very high94.6Very high0 Ų045.5 Ų45.50%022%0.221CC..EExtended strand (participates in β ladder)trans-113.8128.7160.2-63.9175000107.9F43 L77 V78 E79 V80 A183 S185 L259 I281F43-I154 HydrophobicContact CZ-CD1 4.48Å; F43-I154 HydrophobicContact CZ-CG1 3.92Å; L77-I154 HydrophobicContact CD1-CD1 4.18Å; L77-I154 HydrophobicContact CD1-CG1 4.29Å; L77-I154 HydrophobicContact CD2-CD1 3.75Å; L77-I154 HydrophobicContact CD2-CG1 4.07Å; V78-I154 PolarHBondContact O-N 2.66Å; E79-I154 CarbonylContact C-O 3.12Å; E79-I154 WeakPolarHBondContact CA-O 2.97Å; E79-I154 HydrophobicContact CB-CB 4.13Å; E79-I154 HydrophobicContact CG-CB 4.07Å; E79-I154 HydrophobicContact CG-CG2 4.12Å; V80-I154 PolarHBondContact N-O 3.43Å; I154-A183 CarbonylContact C-O 3.46Å; I154-A183 WeakPolarHBondContact CA-O 3.3Å; I154-A183 HydrophobicContact CG1-CB 4.5Å; I154-S185 VanDerWaalsContact CG2-OG 3.3Å; I154-S185 WeakPolarHBondContact CG2-OG 3.36Å; I154-L259 HydrophobicContact CD1-CD2 4.27Å; I154-L259 HydrophobicContact CG2-CD2 4.14Å; I154-I281 HydrophobicContact CD1-CD1 3.73Å
155I98.4Very high94.5Very high0 Ų042.1 Ų42.10%020%0.204CC..EExtended strand (participates in β ladder)trans-100.3104.5176.4-57.7169.1000107.2V82 L139 M153 V157 I168 Y172 A183 V184 S185V82-I155 HydrophobicContact CB-CG2 4.29Å; V82-I155 HydrophobicContact CG2-CG2 3.48Å; V82-I155 VanDerWaalsContact CG2-CG2 3.48Å; L139-I155 HydrophobicContact CD1-CD1 4Å; L139-I155 HydrophobicContact CD1-CG1 4.09Å; L139-I155 HydrophobicContact CD1-CG2 4.1Å; L139-I155 HydrophobicContact CD2-CD1 4.49Å; L139-I155 HydrophobicContact CD2-CG2 4.36Å; M153-I155 HydrophobicContact CG-CG1 4.03Å; M153-I155 HydrophobicContact SD-CG1 3.96Å; I155-V157 HydrophobicContact CG2-CG2 4.37Å; I155-I168 HydrophobicContact CG2-CD1 4.14Å; I155-Y172 HydrophobicContact CD1-CE2 4.2Å; I155-A183 PolarHBondContact N-O 3.15Å; I155-V184 CarbonylContact O-C 3.44Å; I155-V184 WeakPolarHBondContact O-CA 3.41Å; I155-S185 PolarHBondContact O-N 2.84Å
156D97.6Very high94.4Very high7 Ų745.1 Ų45.14%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-86110174.2-170.822.3000110.8E79 V80 D81 V82 K158 S185 S186E79-D156 VanDerWaalsContact OE1-CB 3.26Å; E79-D156 WeakPolarHBondContact OE1-CB 3.48Å; V80-D156 PolarHBondContact O-N 3.04Å; D81-D156 WeakPolarHBondContact CA-O 3.2Å; V82-D156 PolarHBondContact N-O 3.42Å; D156-K158 PolarHBondContact O-N 2.9Å; D156-K158 IonicContact OD2-NZ 3.56Å; D156-K158 PolarHBondContact OD2-NZ 2.73Å; D156-S185 WeakPolarHBondContact CA-O 3.46Å; D156-S186 WeakPolarHBondContact OD1-CA 3.48Å
157V96.6Very high94.3Very high1 Ų146.5 Ų46.51%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-86.3111.7180178.10000109I155 W159 T164 I168 V184 S185 S186 V191I155-V157 HydrophobicContact CG2-CG2 4.37Å; V157-W159 WeakPolarHBondContact CG1-O 3.19Å; V157-W159 PolarHBondContact O-N 3.27Å; V157-T164 HydrophobicContact CG1-CG2 3.98Å; V157-T164 HydrophobicContact CG2-CG2 4.46Å; V157-I168 HydrophobicContact CG2-CD1 3.4Å; V157-I168 VanDerWaalsContact CG2-CD1 3.4Å; V157-V184 HydrophobicContact CG2-CG1 3.66Å; V157-S185 PolarHBondContact N-O 3.35Å; V157-S186 WeakPolarHBondContact O-CB 3.34Å; V157-S186 PolarHBondContact O-OG 3.45Å; V157-V191 HydrophobicContact CB-CG1 4.03Å; V157-V191 HydrophobicContact CB-CG2 4.46Å; V157-V191 HydrophobicContact CG1-CG1 4.16Å; V157-V191 HydrophobicContact CG1-CG2 4.02Å; V157-V191 HydrophobicContact CG2-CG1 4.17Å
158K89.3Confident94.4Very high30 Ų3044.1 Ų44.113%0.1322%0.217CC..  trans-71.9-27.7-176.2-64.9-55.4-175.9-161.70114.6D81 V82 H94 D156 H188D81-K158 WeakPolarHBondContact OD1-CE 3.33Å; D81-K158 IonicContact OD1-NZ 3.5Å; D81-K158 PolarHBondContact OD1-NZ 3.43Å; V82-K158 PolarHBondContact O-N 2.81Å; H94-K158 WeakPolarHBondContact CD2-CE 3.46Å; H94-K158 PolarHBondContact CD2-NZ 2.81Å; H94-K158 VanDerWaalsContact CD2-NZ 3.31Å; D156-K158 PolarHBondContact O-N 2.9Å; D156-K158 IonicContact OD2-NZ 3.56Å; D156-K158 PolarHBondContact OD2-NZ 2.73Å; K158-H188 PolarHBondContact O-CD2 2.94Å
159W83.6Confident94.4Very high88 Ų8837.3 Ų37.333%0.33319%0.186SC..SBendtrans-136.2140.6-173.8-55.2100.7000111.1W8 E96 V157 D161W8-W159 HydrophobicContact CH2-CZ3 4.27Å; W8-W159 HydrophobicContact CZ3-CZ3 4.13Å; E96-W159 HydrophobicContact CG-CH2 4.48Å; E96-W159 HydrophobicContact CG-CZ2 3.62Å; E96-W159 WeakPolarHBondContact OE1-CH2 3.48Å; E96-W159 WeakPolarHBondContact OE1-CZ2 3.13Å; V157-W159 WeakPolarHBondContact CG1-O 3.19Å; V157-W159 PolarHBondContact O-N 3.27Å; W159-D161 PolarHBondContact O-N 3Å
160S81.4Confident94.4Very high53 Ų5341 Ų4137%0.37120%0.202SC..  trans-77.354.417564.80000112.2
161D89Confident94.6Very high47 Ų4735.1 Ų35.125%0.25117%0.171SC..  trans-87.5127.1173.5-169.8-46000109.6L84 W159 R163 T164 I165L84-D161 HydrophobicContact CD1-CB 4.03Å; W159-D161 PolarHBondContact O-N 3Å; D161-R163 PolarHBondContact O-N 3.42Å; D161-R163 VanDerWaalsContact OD1-CB 3.27Å; D161-R163 WeakPolarHBondContact OD1-CB 3.02Å; D161-R163 PolarHBondContact OD1-N 2.64Å; D161-R163 IonicContact OD1-NE 3.4Å; D161-R163 PolarHBondContact OD1-NE 3.43Å; D161-R163 IonicContact OD2-CZ 3.36Å; D161-R163 IonicContact OD2-NE 3.18Å; D161-R163 PolarHBondContact OD2-NE 3.41Å; D161-R163 IonicContact OD2-NH2 3.89Å; D161-R163 PolarHBondContact OD2-NH2 3.04Å; D161-T164 WeakPolarHBondContact O-CB 3.21Å; D161-T164 PolarHBondContact O-N 3.13Å; D161-T164 VanDerWaalsContact O-N 3.14Å; D161-I165 PolarHBondContact O-N 3.44Å
162Q92.1Very high94.7Very high95 Ų9534.9 Ų34.944%0.44417%0.169SC..Hα-helixtrans-61.4-29.4-178.7-169.461.451.800112.6I165 N166Q162-I165 PolarHBondContact O-N 3.04Å; Q162-N166 PolarHBondContact NE2-OD1 3.45Å; Q162-N166 WeakPolarHBondContact O-CB 3.5Å; Q162-N166 PolarHBondContact O-N 3.31Å; Q162-N166 PolarHBondContact O-OD1 3.47Å
163R94Very high94.6Very high128 Ų12838 Ų3848%0.48319%0.187SC..Hα-helixtrans-66.8-39.8177-63.6174.4-68.7169.21.3111.3L84 D161 I165 N166 A167L84-R163 HydrophobicContact CD1-CB 3.71Å; D161-R163 PolarHBondContact O-N 3.42Å; D161-R163 VanDerWaalsContact OD1-CB 3.27Å; D161-R163 WeakPolarHBondContact OD1-CB 3.02Å; D161-R163 PolarHBondContact OD1-N 2.64Å; D161-R163 IonicContact OD1-NE 3.4Å; D161-R163 PolarHBondContact OD1-NE 3.43Å; D161-R163 IonicContact OD2-CZ 3.36Å; D161-R163 IonicContact OD2-NE 3.18Å; D161-R163 PolarHBondContact OD2-NE 3.41Å; D161-R163 IonicContact OD2-NH2 3.89Å; D161-R163 PolarHBondContact OD2-NH2 3.04Å; R163-I165 VanDerWaalsContact C-N 3.35Å; R163-N166 PolarHBondContact O-N 3.29Å; R163-A167 WeakPolarHBondContact O-CB 3.34Å; R163-A167 PolarHBondContact O-N 3.47Å
164T94.9Very high94.6Very high4 Ų442.7 Ų42.73%0.02521%0.209CC..Hα-helixtrans-62.8-45.1174.2-51.70000110.7V82 L84 V157 D161 A167 I168V82-T164 HydrophobicContact CG1-CG2 3.81Å; L84-T164 VanDerWaalsContact CD1-OG1 3.23Å; L84-T164 WeakPolarHBondContact CD1-OG1 3.49Å; L84-T164 WeakPolarHBondContact CD2-OG1 3.36Å; L84-T164 WeakPolarHBondContact CG-OG1 3.29Å; V157-T164 HydrophobicContact CG1-CG2 3.98Å; V157-T164 HydrophobicContact CG2-CG2 4.46Å; D161-T164 WeakPolarHBondContact O-CB 3.21Å; D161-T164 PolarHBondContact O-N 3.13Å; D161-T164 VanDerWaalsContact O-N 3.14Å; T164-A167 PolarHBondContact O-N 2.88Å; T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 VanDerWaalsContact O-CG1 3.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 3.27Å
165I95.7Very high94.5Very high4 Ų444.1 Ų44.12%0.02122%0.217CC..Hα-helixtrans-62.3-46.4-179.9-65.3163.7000110.4D161 Q162 R163 A167 I168 V169 A194 I195 L198D161-I165 PolarHBondContact O-N 3.44Å; Q162-I165 PolarHBondContact O-N 3.04Å; R163-I165 VanDerWaalsContact C-N 3.35Å; I165-A167 PolarHBondContact O-N 3.41Å; I165-I168 PolarHBondContact O-N 2.92Å; I165-V169 WeakPolarHBondContact O-CG2 3.36Å; I165-V169 PolarHBondContact O-N 2.88Å; I165-A194 HydrophobicContact CD1-CB 3.73Å; I165-A194 HydrophobicContact CG2-CB 4.24Å; I165-I195 HydrophobicContact CG2-CG1 3.9Å; I165-L198 HydrophobicContact CG2-CD1 3.73Å
166N96.3Very high94.4Very high75 Ų7548.1 Ų48.140%0.40124%0.243SC..Hα-helixtrans-62.1-43.5177.1-69-3000111.7Q162 R163 I168 V169 E170Q162-N166 PolarHBondContact NE2-OD1 3.45Å; Q162-N166 WeakPolarHBondContact O-CB 3.5Å; Q162-N166 PolarHBondContact O-N 3.31Å; Q162-N166 PolarHBondContact O-OD1 3.47Å; R163-N166 PolarHBondContact O-N 3.29Å; N166-I168 VanDerWaalsContact C-N 3.3Å; N166-I168 PolarHBondContact O-N 3.32Å; N166-V169 PolarHBondContact O-N 2.85Å; N166-E170 WeakPolarHBondContact O-CB 3.48Å; N166-E170 PolarHBondContact O-N 3.07Å
167A96.1Very high94.3Very high29 Ų2949.9 Ų49.924%0.2426%0.256CS..Hα-helixtrans-62.7-36.6177.800000112.4A90 R163 T164 I165 L171A90-A167 HydrophobicContact CB-CB 4.33Å; R163-A167 WeakPolarHBondContact O-CB 3.34Å; R163-A167 PolarHBondContact O-N 3.47Å; T164-A167 PolarHBondContact O-N 2.88Å; I165-A167 PolarHBondContact O-N 3.41Å; A167-L171 VanDerWaalsContact O-CB 3.25Å; A167-L171 WeakPolarHBondContact O-CB 3.48Å; A167-L171 PolarHBondContact O-N 3.23Å
168I97.5Very high94.4Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-67.4-48.4174.5-71167.3000110.7L139 I155 V157 T164 I165 N166 E170 L171 Y172 V184L139-I168 HydrophobicContact CD2-CG1 3.68Å; I155-I168 HydrophobicContact CG2-CD1 4.14Å; V157-I168 HydrophobicContact CG2-CD1 3.4Å; V157-I168 VanDerWaalsContact CG2-CD1 3.4Å; T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 VanDerWaalsContact O-CG1 3.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 3.27Å; I165-I168 PolarHBondContact O-N 2.92Å; N166-I168 VanDerWaalsContact C-N 3.3Å; N166-I168 PolarHBondContact O-N 3.32Å; I168-E170 VanDerWaalsContact C-N 3.34Å; I168-E170 PolarHBondContact O-N 3.42Å; I168-L171 WeakPolarHBondContact O-CB 3.24Å; I168-L171 PolarHBondContact O-N 2.76Å; I168-Y172 HydrophobicContact CG2-CD2 4.09Å; I168-Y172 HydrophobicContact CG2-CE2 3.96Å; I168-Y172 VanDerWaalsContact O-CD2 3.28Å; I168-Y172 WeakPolarHBondContact O-CD2 3.09Å; I168-Y172 PolarHBondContact O-N 3.39Å; I168-V184 HydrophobicContact CD1-CG1 4.26Å; I168-V184 HydrophobicContact CG2-CG2 3.71Å
169V97.4Very high94.7Very high13 Ų1350 Ų508%0.07926%0.256CS..Hα-helixtrans-62.2-42.6179.3172.20000111I165 N166 L171 Y172 N173 L198 D199 I202I165-V169 WeakPolarHBondContact O-CG2 3.36Å; I165-V169 PolarHBondContact O-N 2.88Å; N166-V169 PolarHBondContact O-N 2.85Å; V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 PolarHBondContact O-N 2.97Å; V169-Y172 PolarHBondContact O-N 2.84Å; V169-N173 PolarHBondContact O-N 2.78Å; V169-N173 PolarHBondContact O-ND2 2.8Å; V169-N173 VanDerWaalsContact O-ND2 3.13Å; V169-L198 HydrophobicContact CG1-CB 4.38Å; V169-L198 HydrophobicContact CG2-CB 4.01Å; V169-L198 HydrophobicContact CG2-CD1 4.16Å; V169-D199 HydrophobicContact CG1-CB 4.14Å; V169-I202 HydrophobicContact CG2-CD1 4.08Å
170E97.4Very high95.3Very high119 Ų11950 Ų5056%0.55626%0.256SS*.Hα-helixtrans-60.5-43.3174.4-173.9170.8-158.900111.6N166 I168 Y172 N173 E174N166-E170 WeakPolarHBondContact O-CB 3.48Å; N166-E170 PolarHBondContact O-N 3.07Å; I168-E170 VanDerWaalsContact C-N 3.34Å; I168-E170 PolarHBondContact O-N 3.42Å; E170-Y172 VanDerWaalsContact C-N 3.35Å; E170-Y172 PolarHBondContact O-N 2.77Å; E170-N173 PolarHBondContact O-N 3.18Å; E170-E174 WeakPolarHBondContact O-CB 3.25Å; E170-E174 WeakPolarHBondContact O-CG 3.27Å; E170-E174 PolarHBondContact O-N 3Å
171L97.8Very high96Very high8 Ų848.3 Ų48.34%0.04224%0.243CC..Hα-helixtrans-59.7-41.1176.4177.465.4000113L139 K140 A143 A167 I168 V169 N175 L178L139-L171 HydrophobicContact CD2-CD2 3.91Å; L139-L171 HydrophobicContact CG-CD2 3.72Å; K140-L171 HydrophobicContact CB-CD1 4.09Å; K140-L171 HydrophobicContact CG-CD1 3.94Å; A143-L171 HydrophobicContact CB-CD1 4.29Å; A143-L171 HydrophobicContact CB-CD2 3.78Å; A143-L171 HydrophobicContact CB-CG 4.39Å; A167-L171 VanDerWaalsContact O-CB 3.25Å; A167-L171 WeakPolarHBondContact O-CB 3.48Å; A167-L171 PolarHBondContact O-N 3.23Å; I168-L171 WeakPolarHBondContact O-CB 3.24Å; I168-L171 PolarHBondContact O-N 2.76Å; V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 PolarHBondContact O-N 2.97Å; L171-N175 WeakPolarHBondContact O-CB 3.31Å; L171-N175 PolarHBondContact O-N 3.38Å; L171-N175 PolarHBondContact O-ND2 3.24Å; L171-L178 HydrophobicContact CD1-CD1 4.3Å; L171-L178 HydrophobicContact CD2-CD1 4.24Å; L171-L178 HydrophobicContact CG-CD1 3.71Å
172Y97.9Very high96.4Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-67.5-43.4175.8-87-113.4000111.9I155 I168 V169 E170 E174 N175 L178 Y179 A182 A183 V184 I202I155-Y172 HydrophobicContact CD1-CE2 4.2Å; I168-Y172 HydrophobicContact CG2-CD2 4.09Å; I168-Y172 HydrophobicContact CG2-CE2 3.96Å; I168-Y172 VanDerWaalsContact O-CD2 3.28Å; I168-Y172 WeakPolarHBondContact O-CD2 3.09Å; I168-Y172 PolarHBondContact O-N 3.39Å; V169-Y172 PolarHBondContact O-N 2.84Å; E170-Y172 VanDerWaalsContact C-N 3.35Å; E170-Y172 PolarHBondContact O-N 2.77Å; Y172-E174 VanDerWaalsContact C-N 3.31Å; Y172-E174 PolarHBondContact O-N 3.42Å; Y172-N175 CarbonylContact O-C 3.45Å; Y172-N175 PolarHBondContact O-N 2.93Å; Y172-N175 VanDerWaalsContact O-N 3.11Å; Y172-L178 HydrophobicContact CD1-CB 3.8Å; Y172-L178 HydrophobicContact CD2-CB 4.28Å; Y172-L178 HydrophobicContact CD2-CD1 4.22Å; Y172-L178 HydrophobicContact CE1-CB 3.86Å; Y172-L178 WeakPolarHBondContact CE1-O 3.22Å; Y172-L178 HydrophobicContact CE2-CB 4.34Å; Y172-L178 HydrophobicContact CG-CB 4.04Å; Y172-Y179 AromaticContact CD1-CD1 3.81Å; Y172-Y179 HydrophobicContact CD1-CD1 3.81Å; Y172-Y179 AromaticContact CD1-CE1 3.92Å; Y172-Y179 HydrophobicContact CD1-CE1 3.92Å; Y172-Y179 HydrophobicContact CD1-CG 4.18Å; Y172-Y179 HydrophobicContact CE1-CD1 4.44Å; Y172-A182 HydrophobicContact CE1-CB 4.45Å; Y172-A182 HydrophobicContact CE2-CB 4.48Å; Y172-A182 WeakPolarHBondContact OH-CB 3.49Å; Y172-A182 PolarHBondContact OH-O 3Å; Y172-A183 PolarHBondContact OH-N 2.66Å; Y172-V184 HydrophobicContact CE2-CG2 4.23Å; Y172-I202 HydrophobicContact CD1-CB 4.48Å; Y172-I202 HydrophobicContact CD1-CD1 3.94Å; Y172-I202 HydrophobicContact CD1-CG1 3.64Å; Y172-I202 HydrophobicContact CD1-CG2 4.39Å; Y172-I202 HydrophobicContact CD2-CD1 4.09Å; Y172-I202 HydrophobicContact CE1-CB 4.33Å; Y172-I202 HydrophobicContact CE1-CD1 4.42Å; Y172-I202 HydrophobicContact CE1-CG1 3.98Å; Y172-I202 HydrophobicContact CE1-CG2 3.86Å; Y172-I202 HydrophobicContact CE2-CG2 4.45Å; Y172-I202 HydrophobicContact CG-CD1 3.72Å; Y172-I202 HydrophobicContact CG-CG1 3.98Å
173N97.2Very high96.7Very high97 Ų9741.5 Ų41.552%0.51921%0.21SC..Hα-helixtrans-60.4-40.5175.9-75.1-39.6000112.2V169 E170 N175 Y179V169-N173 PolarHBondContact O-N 2.78Å; V169-N173 PolarHBondContact O-ND2 2.8Å; V169-N173 VanDerWaalsContact O-ND2 3.13Å; E170-N173 PolarHBondContact O-N 3.18Å; N173-N175 VanDerWaalsContact C-N 3.32Å; N173-Y179 PolarHBondContact OD1-OH 3.38Å
174E97.3Very high96.9Very high98 Ų9835.5 Ų35.546%0.45819%0.188SC..Hα-helixtrans-72-25.2176.1-71.8-176163.200113K140 E170 Y172K140-E174 IonicContact NZ-OE1 3.82Å; K140-E174 IonicContact NZ-OE2 2.68Å; K140-E174 PolarHBondContact NZ-OE2 3.4Å; E170-E174 WeakPolarHBondContact O-CB 3.25Å; E170-E174 WeakPolarHBondContact O-CG 3.27Å; E170-E174 PolarHBondContact O-N 3Å; Y172-E174 VanDerWaalsContact C-N 3.31Å; Y172-E174 PolarHBondContact O-N 3.42Å
175N97.1Very high96.9Very high31 Ų3135.4 Ų35.417%0.16619%0.187CC..  trans-134.477.2-174-57.2-87.6000111.5L144 L171 Y172 N173 S177 L178L144-N175 WeakPolarHBondContact CD2-OD1 3.36Å; L171-N175 WeakPolarHBondContact O-CB 3.31Å; L171-N175 PolarHBondContact O-N 3.38Å; L171-N175 PolarHBondContact O-ND2 3.24Å; Y172-N175 CarbonylContact O-C 3.45Å; Y172-N175 PolarHBondContact O-N 2.93Å; Y172-N175 VanDerWaalsContact O-N 3.11Å; N173-N175 VanDerWaalsContact C-N 3.32Å; N175-S177 PolarHBondContact O-N 3.35Å; N175-L178 HydrophobicContact CB-CD1 3.84Å; N175-L178 HydrophobicContact CB-CG 4.02Å; N175-L178 WeakPolarHBondContact O-CB 3.38Å; N175-L178 WeakPolarHBondContact O-CG 3.26Å; N175-L178 PolarHBondContact O-N 2.95Å
176P96.3Very high96.9Very high84 Ų8435.3 Ų35.355%0.54519%0.187SC..THydrogen-bonded Turntrans-60.4-14.3-174.5-26.935.8000115.7L178 Y179P176-L178 PolarHBondContact O-N 3.34Å; P176-Y179 HydrophobicContact CB-CD2 4.23Å; P176-Y179 HydrophobicContact CB-CE2 4.37Å; P176-Y179 WeakPolarHBondContact O-CD2 3.27Å; P176-Y179 PolarHBondContact O-N 3.09Å
177S96Very high96.6Very high44 Ų4434.1 Ų34.131%0.30818%0.178SC..THydrogen-bonded Turntrans-61.3-26.1170.6530000112.6V147 N175 Y179 R180 T181V147-S177 WeakPolarHBondContact CG1-OG 3.49Å; V147-S177 VanDerWaalsContact CG2-OG 3.31Å; V147-S177 WeakPolarHBondContact CG2-OG 3.32Å; N175-S177 PolarHBondContact O-N 3.35Å; S177-Y179 VanDerWaalsContact C-N 3.29Å; S177-Y179 PolarHBondContact O-N 3.13Å; S177-R180 WeakPolarHBondContact O-CG 3.44Å; S177-R180 PolarHBondContact O-N 3.41Å; S177-T181 PolarHBondContact O-N 2.61Å; S177-T181 PolarHBondContact O-OG1 2.67Å; S177-T181 VanDerWaalsContact O-OG1 3.06Å
178L97.5Very high96.2Very high2 Ų234.4 Ų34.41%0.0117%0.174CC..Hα-helixtrans-66-27.2-179.4-65.8177.8000113.3A143 V147 L171 Y172 N175 P176 R180 T181 A182A143-L178 HydrophobicContact CB-CD1 4.2Å; A143-L178 HydrophobicContact CB-CD2 4.15Å; V147-L178 HydrophobicContact CG2-CD2 3.72Å; V147-L178 HydrophobicContact CG2-CG 4.39Å; L171-L178 HydrophobicContact CD1-CD1 4.3Å; L171-L178 HydrophobicContact CD2-CD1 4.24Å; L171-L178 HydrophobicContact CG-CD1 3.71Å; Y172-L178 HydrophobicContact CD1-CB 3.8Å; Y172-L178 HydrophobicContact CD2-CB 4.28Å; Y172-L178 HydrophobicContact CD2-CD1 4.22Å; Y172-L178 HydrophobicContact CE1-CB 3.86Å; Y172-L178 WeakPolarHBondContact CE1-O 3.22Å; Y172-L178 HydrophobicContact CE2-CB 4.34Å; Y172-L178 HydrophobicContact CG-CB 4.04Å; N175-L178 HydrophobicContact CB-CD1 3.84Å; N175-L178 HydrophobicContact CB-CG 4.02Å; N175-L178 WeakPolarHBondContact O-CB 3.38Å; N175-L178 WeakPolarHBondContact O-CG 3.26Å; N175-L178 PolarHBondContact O-N 2.95Å; P176-L178 PolarHBondContact O-N 3.34Å; L178-R180 PolarHBondContact O-N 3.49Å; L178-T181 WeakPolarHBondContact CA-OG1 3.44Å; L178-T181 PolarHBondContact O-N 2.93Å; L178-A182 HydrophobicContact CB-CB 4.21Å; L178-A182 HydrophobicContact CD2-CB 3.98Å; L178-A182 WeakPolarHBondContact O-CA 3.26Å; L178-A182 PolarHBondContact O-N 2.87Å
179Y96.6Very high95.5Very high32 Ų3234.9 Ų34.913%0.12518%0.177CC..Hα-helixtrans-56.6-28.4177-71.2-71.4000113E39 Y172 N173 P176 S177 D199 M201 I202E39-Y179 WeakPolarHBondContact CB-O 3.46Å; Y172-Y179 AromaticContact CD1-CD1 3.81Å; Y172-Y179 HydrophobicContact CD1-CD1 3.81Å; Y172-Y179 AromaticContact CD1-CE1 3.92Å; Y172-Y179 HydrophobicContact CD1-CE1 3.92Å; Y172-Y179 HydrophobicContact CD1-CG 4.18Å; Y172-Y179 HydrophobicContact CE1-CD1 4.44Å; N173-Y179 PolarHBondContact OD1-OH 3.38Å; P176-Y179 HydrophobicContact CB-CD2 4.23Å; P176-Y179 HydrophobicContact CB-CE2 4.37Å; P176-Y179 WeakPolarHBondContact O-CD2 3.27Å; P176-Y179 PolarHBondContact O-N 3.09Å; S177-Y179 VanDerWaalsContact C-N 3.29Å; S177-Y179 PolarHBondContact O-N 3.13Å; Y179-D199 WeakPolarHBondContact CE1-OD2 3.44Å; Y179-D199 VanDerWaalsContact CZ-OD2 3.26Å; Y179-D199 PolarHBondContact OH-OD2 2.81Å; Y179-M201 HydrophobicContact CD1-CB 3.56Å; Y179-M201 HydrophobicContact CE1-CB 3.5Å; Y179-M201 VanDerWaalsContact CE1-CB 3.5Å; Y179-I202 HydrophobicContact CD1-CG1 4.24Å; Y179-I202 HydrophobicContact CE1-CG1 3.77Å
180R95.1Very high94.9Very high87 Ų8737.3 Ų37.333%0.32819%0.189SC..Hα-helixtrans-107.6-16.8179.367.4176.155.6-126.3-7.2115.1E39 F42 S177 L178E39-R180 HydrophobicContact CB-CB 4.41Å; E39-R180 IonicContact OE1-CZ 3.28Å; E39-R180 IonicContact OE1-NE 2.71Å; E39-R180 IonicContact OE1-NH2 3.51Å; E39-R180 PolarHBondContact OE1-NH2 2.86Å; E39-R180 WeakPolarHBondContact OE2-CB 3.38Å; E39-R180 IonicContact OE2-CZ 2.68Å; E39-R180 IonicContact OE2-NE 2.75Å; E39-R180 PolarHBondContact OE2-NE 3.02Å; E39-R180 IonicContact OE2-NH1 3.78Å; E39-R180 IonicContact OE2-NH2 3.59Å; E39-R180 PolarHBondContact OE2-NH2 3.31Å; F42-R180 HydrophobicContact CB-CB 4.31Å; F42-R180 VanDerWaalsContact CE2-NH1 3.27Å; S177-R180 WeakPolarHBondContact O-CG 3.44Å; S177-R180 PolarHBondContact O-N 3.41Å; L178-R180 PolarHBondContact O-N 3.49Å
181T96.1Very high94.6Very high17 Ų1731.8 Ų31.810%0.10416%0.163CC..Hα-helixtrans-107.4-16-178.460.60000113.4K152 M153 S177 L178K152-T181 CarbonylContact C-O 3.57Å; K152-T181 WeakPolarHBondContact CA-O 3.46Å; K152-T181 WeakPolarHBondContact CB-O 3.29Å; M153-T181 PolarHBondContact N-O 3.14Å; S177-T181 PolarHBondContact O-N 2.61Å; S177-T181 PolarHBondContact O-OG1 2.67Å; S177-T181 VanDerWaalsContact O-OG1 3.06Å; L178-T181 WeakPolarHBondContact CA-OG1 3.44Å; L178-T181 PolarHBondContact O-N 2.93Å
182A98Very high94.2Very high0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-129.1141.6-176.100000112.7M153 Y172 L178M153-A182 HydrophobicContact CB-CB 4.37Å; M153-A182 CarbonylContact O-C 3.55Å; M153-A182 VanDerWaalsContact O-CA 3.25Å; M153-A182 WeakPolarHBondContact O-CA 3.09Å; Y172-A182 HydrophobicContact CE1-CB 4.45Å; Y172-A182 HydrophobicContact CE2-CB 4.48Å; Y172-A182 WeakPolarHBondContact OH-CB 3.49Å; Y172-A182 PolarHBondContact OH-O 3Å; L178-A182 HydrophobicContact CB-CB 4.21Å; L178-A182 HydrophobicContact CD2-CB 3.98Å; L178-A182 WeakPolarHBondContact O-CA 3.26Å; L178-A182 PolarHBondContact O-N 2.87Å
183A98Very high93.7Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-122.7154.3169.400000110.5F43 M153 I154 I155 Y172 I203 L257F43-A183 HydrophobicContact CE1-CB 3.92Å; F43-A183 HydrophobicContact CE2-CB 3.99Å; F43-A183 HydrophobicContact CZ-CB 3.61Å; M153-A183 PolarHBondContact O-N 3.1Å; I154-A183 CarbonylContact C-O 3.46Å; I154-A183 WeakPolarHBondContact CA-O 3.3Å; I154-A183 HydrophobicContact CG1-CB 4.5Å; I155-A183 PolarHBondContact N-O 3.15Å; Y172-A183 PolarHBondContact OH-N 2.66Å; A183-I203 CarbonylContact C-O 3.5Å; A183-I203 WeakPolarHBondContact CA-O 3.22Å; A183-I203 HydrophobicContact CB-CB 3.93Å; A183-I203 HydrophobicContact CB-CG2 3.64Å; A183-L257 HydrophobicContact CB-CD1 3.62Å
184V97.9Very high93.5Very high2 Ų228.2 Ų28.21%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-111.2128.2177.9-172.10000109.5I155 V157 I168 Y172 V191 I195 I202 I203 T204 G205I155-V184 CarbonylContact O-C 3.44Å; I155-V184 WeakPolarHBondContact O-CA 3.41Å; V157-V184 HydrophobicContact CG2-CG1 3.66Å; I168-V184 HydrophobicContact CD1-CG1 4.26Å; I168-V184 HydrophobicContact CG2-CG2 3.71Å; Y172-V184 HydrophobicContact CE2-CG2 4.23Å; V184-V191 HydrophobicContact CG1-CG1 4.41Å; V184-I195 HydrophobicContact CB-CD1 3.76Å; V184-I195 HydrophobicContact CG1-CD1 3.41Å; V184-I195 VanDerWaalsContact CG1-CD1 3.41Å; V184-I195 HydrophobicContact CG2-CD1 4.09Å; V184-I202 HydrophobicContact CB-CG2 4.5Å; V184-I202 HydrophobicContact CG2-CG2 3.77Å; V184-I203 PolarHBondContact N-O 3.39Å; V184-T204 CarbonylContact O-C 3.43Å; V184-T204 VanDerWaalsContact O-CA 3.24Å; V184-T204 WeakPolarHBondContact O-CA 3.19Å; V184-G205 PolarHBondContact O-N 2.94Å
185S96.8Very high93.3Very high2 Ų223.5 Ų23.51%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-123.4159.7177.270.10000111.4I154 I155 D156 V157 G205I154-S185 VanDerWaalsContact CG2-OG 3.3Å; I154-S185 WeakPolarHBondContact CG2-OG 3.36Å; I155-S185 PolarHBondContact O-N 2.84Å; D156-S185 WeakPolarHBondContact CA-O 3.46Å; V157-S185 PolarHBondContact N-O 3.35Å; S185-G205 VanDerWaalsContact CA-O 3.32Å; S185-G205 WeakPolarHBondContact CA-O 3.42Å
186S94.2Very high92.9Very high2 Ų222.6 Ų22.61%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-161.6151.2172.8-172.30000111.5D156 V157 H188 G205 T207D156-S186 WeakPolarHBondContact OD1-CA 3.48Å; V157-S186 WeakPolarHBondContact O-CB 3.34Å; V157-S186 PolarHBondContact O-OG 3.45Å; S186-H188 PolarHBondContact O-N 3.2Å; S186-H188 PolarHBondContact OG-N 3.47Å; S186-G205 PolarHBondContact N-O 2.89Å; S186-T207 PolarHBondContact O-N 2.78Å
187F90Very high92.6Very high49 Ų4927.3 Ų27.322%0.21513%0.126CC..SBendtrans-68.2-15.9163.1-78.1-84.9000113.8P189 T207 M212 W283F187-P189 WeakPolarHBondContact O-CD 3.17Å; F187-T207 WeakPolarHBondContact CA-O 3.21Å; F187-T207 HydrophobicContact CD1-CG2 4.25Å; F187-T207 WeakPolarHBondContact CD1-O 3.49Å; F187-T207 HydrophobicContact CD2-CG2 3.83Å; F187-T207 HydrophobicContact CE1-CG2 3.88Å; F187-T207 HydrophobicContact CE2-CG2 3.37Å; F187-T207 HydrophobicContact CG-CG2 4.28Å; F187-T207 HydrophobicContact CZ-CG2 3.43Å; F187-T207 VanDerWaalsContact CZ-CG2 3.43Å; F187-M212 HydrophobicContact CD1-CE 3.38Å; F187-M212 HydrophobicContact CE1-CE 3.79Å; F187-W283 HydrophobicContact CE1-CH2 4.22Å; F187-W283 AromaticContact CE1-CZ2 3.92Å; F187-W283 HydrophobicContact CE1-CZ2 3.92Å; F187-W283 HydrophobicContact CE2-CZ2 4.47Å; F187-W283 AromaticContact CZ-CH2 3.53Å; F187-W283 HydrophobicContact CZ-CH2 3.53Å; F187-W283 AromaticContact CZ-CZ2 3.44Å; F187-W283 HydrophobicContact CZ-CZ2 3.44Å; F187-W283 VanDerWaalsContact CZ-CZ2 3.44Å
188H87.4Confident92.5Very high36 Ų3629.5 Ų29.517%0.16713%0.134CC..SBendtrans-100107.8178.6-70-76000110.4F12 K158 S186 M190 V191F12-H188 AromaticContact CE2-ND1 3.84Å; K158-H188 PolarHBondContact O-CD2 2.94Å; S186-H188 PolarHBondContact O-N 3.2Å; S186-H188 PolarHBondContact OG-N 3.47Å; H188-M190 PolarHBondContact O-N 3.18Å; H188-V191 HydrophobicContact CB-CG2 4.1Å; H188-V191 WeakPolarHBondContact O-CB 3.21Å; H188-V191 PolarHBondContact O-N 3.36Å
189P83.9Confident92.4Very high9 Ų930.1 Ų30.16%0.05814%0.138CC..Hα-helixtrans-58.6-23.6-176.5-27.235.6000114.7F187 V191 A192 V193 L245 V249F187-P189 WeakPolarHBondContact O-CD 3.17Å; P189-V191 PolarHBondContact O-N 2.81Å; P189-A192 PolarHBondContact O-N 2.86Å; P189-V193 WeakPolarHBondContact O-CG2 3.25Å; P189-V193 PolarHBondContact O-N 2.84Å; P189-L245 HydrophobicContact CG-CD1 4.35Å; P189-V249 HydrophobicContact CB-CG1 3.71Å; P189-V249 HydrophobicContact CG-CG1 4.11Å
190M84.9Confident92.2Very high65 Ų6531.3 Ų31.332%0.3215%0.15SC..Hα-helixtrans-64.1-24.2176.1-74.7-55-53.900113.8T19 H188 V193 A194T19-M190 HydrophobicContact CG2-CG 4.24Å; T19-M190 HydrophobicContact CG2-SD 3.38Å; T19-M190 WeakPolarHBondContact CG2-SD 3.12Å; T19-M190 PolarHBondContact OG1-SD 3.01Å; H188-M190 PolarHBondContact O-N 3.18Å; M190-V193 HydrophobicContact CE-CB 4.41Å; M190-V193 HydrophobicContact CE-CG1 4.39Å; M190-A194 WeakPolarHBondContact O-CB 3.36Å; M190-A194 PolarHBondContact O-N 3.07Å
191V90.8Very high92.1Very high2 Ų228.3 Ų28.31%0.01214%0.14CC..Hα-helixtrans-64-49.8175.5174.40000109.9V157 V184 H188 P189 V193 A194 I195V157-V191 HydrophobicContact CB-CG1 4.03Å; V157-V191 HydrophobicContact CB-CG2 4.46Å; V157-V191 HydrophobicContact CG1-CG1 4.16Å; V157-V191 HydrophobicContact CG1-CG2 4.02Å; V157-V191 HydrophobicContact CG2-CG1 4.17Å; V184-V191 HydrophobicContact CG1-CG1 4.41Å; H188-V191 HydrophobicContact CB-CG2 4.1Å; H188-V191 WeakPolarHBondContact O-CB 3.21Å; H188-V191 PolarHBondContact O-N 3.36Å; P189-V191 PolarHBondContact O-N 2.81Å; V191-V193 VanDerWaalsContact C-N 3.34Å; V191-V193 PolarHBondContact O-N 3.42Å; V191-A194 PolarHBondContact O-N 2.79Å; V191-I195 HydrophobicContact CG1-CD1 3.81Å; V191-I195 WeakPolarHBondContact O-CG1 3.05Å; V191-I195 PolarHBondContact O-N 2.82Å
192A89.9Confident92.1Very high4 Ų427.5 Ų27.53%0.03314%0.135CC..Hα-helixtrans-58.3-46.2177.400000111.3P189 A194 I195 E196 T204P189-A192 PolarHBondContact O-N 2.86Å; A192-A194 PolarHBondContact O-N 3.21Å; A192-I195 PolarHBondContact O-N 2.93Å; A192-E196 VanDerWaalsContact O-CB 3.26Å; A192-E196 WeakPolarHBondContact O-CB 3.15Å; A192-E196 PolarHBondContact O-N 3.49Å; A192-T204 HydrophobicContact CB-CG2 4.41Å
193V87.6Confident92Very high11 Ų1127.5 Ų27.57%0.06714%0.135CC..Hα-helixtrans-60.3-44177.9179.90000112.5M23 P189 M190 V191 E196 R197 T253M23-V193 HydrophobicContact CE-CG2 3.18Å; P189-V193 WeakPolarHBondContact O-CG2 3.25Å; P189-V193 PolarHBondContact O-N 2.84Å; M190-V193 HydrophobicContact CE-CB 4.41Å; M190-V193 HydrophobicContact CE-CG1 4.39Å; V191-V193 VanDerWaalsContact C-N 3.34Å; V191-V193 PolarHBondContact O-N 3.42Å; V193-E196 PolarHBondContact O-N 3.03Å; V193-R197 VanDerWaalsContact O-CG 3.27Å; V193-R197 WeakPolarHBondContact O-CG 3.34Å; V193-R197 PolarHBondContact O-N 3.34Å; V193-R197 VanDerWaalsContact O-N 3.09Å; V193-T253 HydrophobicContact CG2-CG2 3.77Å
194A91.3Very high91.9Very high15 Ų1527.5 Ų27.512%0.12414%0.135CC..Hα-helixtrans-69.6-39.1-177.200000111.3I165 M190 V191 A192 L198I165-A194 HydrophobicContact CD1-CB 3.73Å; I165-A194 HydrophobicContact CG2-CB 4.24Å; M190-A194 WeakPolarHBondContact O-CB 3.36Å; M190-A194 PolarHBondContact O-N 3.07Å; V191-A194 PolarHBondContact O-N 2.79Å; A192-A194 PolarHBondContact O-N 3.21Å; A194-L198 WeakPolarHBondContact O-CG 3.42Å; A194-L198 PolarHBondContact O-N 3.06Å
195I93.4Very high91.7Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-62.8-50.5171.9-70.5172.5000110.1I165 V184 V191 A192 R197 L198 D199 I202 T204I165-I195 HydrophobicContact CG2-CG1 3.9Å; V184-I195 HydrophobicContact CB-CD1 3.76Å; V184-I195 HydrophobicContact CG1-CD1 3.41Å; V184-I195 VanDerWaalsContact CG1-CD1 3.41Å; V184-I195 HydrophobicContact CG2-CD1 4.09Å; V191-I195 HydrophobicContact CG1-CD1 3.81Å; V191-I195 WeakPolarHBondContact O-CG1 3.05Å; V191-I195 PolarHBondContact O-N 2.82Å; A192-I195 PolarHBondContact O-N 2.93Å; I195-R197 PolarHBondContact O-N 2.88Å; I195-R197 VanDerWaalsContact O-N 3.13Å; I195-L198 PolarHBondContact O-N 2.87Å; I195-D199 CarbonylContact O-C 3.52Å; I195-D199 PolarHBondContact O-N 2.97Å; I195-I202 HydrophobicContact CG2-CB 3.67Å; I195-I202 HydrophobicContact CG2-CD1 4.02Å; I195-I202 HydrophobicContact CG2-CG1 4.34Å; I195-I202 HydrophobicContact CG2-CG2 3.72Å; I195-T204 HydrophobicContact CB-CG2 3.98Å; I195-T204 HydrophobicContact CD1-CG2 4.46Å; I195-T204 HydrophobicContact CG2-CG2 3.6Å
196E89.6Confident91.6Very high12 Ų1227.5 Ų27.56%0.05613%0.134CC..Hα-helixtrans-55.5-35.3-179.6-166.864.7-148.600113.1I30 R36 A192 V193 P200I30-E196 HydrophobicContact CD1-CB 4.36Å; I30-E196 HydrophobicContact CD1-CG 3.46Å; I30-E196 VanDerWaalsContact CD1-CG 3.46Å; I30-E196 HydrophobicContact CG2-CG 3.87Å; I30-E196 WeakPolarHBondContact CG2-OE1 3.37Å; R36-E196 IonicContact CZ-OE2 3.44Å; R36-E196 IonicContact NH1-OE1 2.72Å; R36-E196 PolarHBondContact NH1-OE1 3.41Å; R36-E196 IonicContact NH1-OE2 2.71Å; R36-E196 PolarHBondContact NH1-OE2 3.03Å; R36-E196 IonicContact NH2-OE2 3.66Å; A192-E196 VanDerWaalsContact O-CB 3.26Å; A192-E196 WeakPolarHBondContact O-CB 3.15Å; A192-E196 PolarHBondContact O-N 3.49Å; V193-E196 PolarHBondContact O-N 3.03Å; E196-P200 WeakPolarHBondContact OE1-CB 3.48Å
197R90.2Very high91.5Very high182 Ų18227.8 Ų27.869%0.68714%0.136SC*.Hα-helixtrans-73.7-30.4177.1-75.6174.2179.3-1730.2113.8V193 I195V193-R197 VanDerWaalsContact O-CG 3.27Å; V193-R197 WeakPolarHBondContact O-CG 3.34Å; V193-R197 PolarHBondContact O-N 3.34Å; V193-R197 VanDerWaalsContact O-N 3.09Å; I195-R197 PolarHBondContact O-N 2.88Å; I195-R197 VanDerWaalsContact O-N 3.13Å
198L93.6Very high91.4Very high90 Ų9025.9 Ų25.947%0.47113%0.127SC..Hα-helixtrans-88.9-40.9-178.6-70.4172.5000111.4I165 V169 A194 I195I165-L198 HydrophobicContact CG2-CD1 3.73Å; V169-L198 HydrophobicContact CG1-CB 4.38Å; V169-L198 HydrophobicContact CG2-CB 4.01Å; V169-L198 HydrophobicContact CG2-CD1 4.16Å; A194-L198 WeakPolarHBondContact O-CG 3.42Å; A194-L198 PolarHBondContact O-N 3.06Å; I195-L198 PolarHBondContact O-N 2.87Å
199D94.2Very high91.5Very high15 Ų1524.2 Ų24.28%0.0812%0.12CC..  trans-152.797.3-179.5-171.7-12.6000111.1V169 Y179 I195 M201 I202V169-D199 HydrophobicContact CG1-CB 4.14Å; Y179-D199 WeakPolarHBondContact CE1-OD2 3.44Å; Y179-D199 VanDerWaalsContact CZ-OD2 3.26Å; Y179-D199 PolarHBondContact OH-OD2 2.81Å; I195-D199 CarbonylContact O-C 3.52Å; I195-D199 PolarHBondContact O-N 2.97Å; D199-M201 PolarHBondContact O-N 2.83Å; D199-M201 WeakPolarHBondContact OD1-CB 3.48Å; D199-M201 PolarHBondContact OD1-N 3.06Å; D199-I202 HydrophobicContact CB-CD1 3.92Å; D199-I202 HydrophobicContact CB-CG1 4.05Å; D199-I202 PolarHBondContact O-N 2.93Å
200P92.4Very high91.6Very high58 Ų5825.3 Ų25.338%0.37713%0.13SC..THydrogen-bonded Turntrans-73.8-2.4-177.931.1-36.1000113.8R36 E196R36-P200 WeakPolarHBondContact CD-O 3.33Å; R36-P200 PolarHBondContact NH1-O 3.31Å; E196-P200 WeakPolarHBondContact OE1-CB 3.48Å
201M94.3Very high91.5Very high24 Ų2422.2 Ų22.212%0.11811%0.114CC..THydrogen-bonded Turntrans-81.5-20.3174.3-77.1-63.6-65.400112.8N33 E35 R36 E39 Y179 D199 I203N33-M201 PolarHBondContact ND2-SD 3.31Å; E35-M201 HydrophobicContact CB-CE 3.87Å; E35-M201 HydrophobicContact CB-SD 3.87Å; E35-M201 HydrophobicContact CG-CE 3.54Å; E35-M201 HydrophobicContact CG-SD 4.14Å; R36-M201 HydrophobicContact CB-CE 4.49Å; R36-M201 HydrophobicContact CB-SD 3.96Å; E39-M201 HydrophobicContact CG-CE 4.02Å; Y179-M201 HydrophobicContact CD1-CB 3.56Å; Y179-M201 HydrophobicContact CE1-CB 3.5Å; Y179-M201 VanDerWaalsContact CE1-CB 3.5Å; D199-M201 PolarHBondContact O-N 2.83Å; D199-M201 WeakPolarHBondContact OD1-CB 3.48Å; D199-M201 PolarHBondContact OD1-N 3.06Å; M201-I203 PolarHBondContact O-N 3.37Å
202I95.9Very high91.1Very high0 Ų023.7 Ų23.70%012%0.122CC..SBendtrans-71.1125.9179.9-59.7-176.7000109.8V169 Y172 Y179 V184 I195 D199 T204V169-I202 HydrophobicContact CG2-CD1 4.08Å; Y172-I202 HydrophobicContact CD1-CB 4.48Å; Y172-I202 HydrophobicContact CD1-CD1 3.94Å; Y172-I202 HydrophobicContact CD1-CG1 3.64Å; Y172-I202 HydrophobicContact CD1-CG2 4.39Å; Y172-I202 HydrophobicContact CD2-CD1 4.09Å; Y172-I202 HydrophobicContact CE1-CB 4.33Å; Y172-I202 HydrophobicContact CE1-CD1 4.42Å; Y172-I202 HydrophobicContact CE1-CG1 3.98Å; Y172-I202 HydrophobicContact CE1-CG2 3.86Å; Y172-I202 HydrophobicContact CE2-CG2 4.45Å; Y172-I202 HydrophobicContact CG-CD1 3.72Å; Y172-I202 HydrophobicContact CG-CG1 3.98Å; Y179-I202 HydrophobicContact CD1-CG1 4.24Å; Y179-I202 HydrophobicContact CE1-CG1 3.77Å; V184-I202 HydrophobicContact CB-CG2 4.5Å; V184-I202 HydrophobicContact CG2-CG2 3.77Å; I195-I202 HydrophobicContact CG2-CB 3.67Å; I195-I202 HydrophobicContact CG2-CD1 4.02Å; I195-I202 HydrophobicContact CG2-CG1 4.34Å; I195-I202 HydrophobicContact CG2-CG2 3.72Å; D199-I202 HydrophobicContact CB-CD1 3.92Å; D199-I202 HydrophobicContact CB-CG1 4.05Å; D199-I202 PolarHBondContact O-N 2.93Å; I202-T204 HydrophobicContact CG2-CG2 4.48Å; I202-T204 PolarHBondContact O-N 3.24Å
203I96.1Very high90.8Very high0 Ų023.9 Ų23.90%012%0.122CC..EExtended strand (participates in β ladder)trans-67.5121.5173.8-61.7165.3000108.7L40 F43 A183 V184 M201 D256 L257L40-I203 HydrophobicContact CB-CD1 4.32Å; L40-I203 HydrophobicContact CB-CG1 4.49Å; L40-I203 HydrophobicContact CD1-CD1 4.23Å; L40-I203 HydrophobicContact CD1-CG1 4.39Å; L40-I203 HydrophobicContact CD1-CG2 3.86Å; F43-I203 HydrophobicContact CB-CD1 3.58Å; F43-I203 HydrophobicContact CD1-CD1 4.38Å; F43-I203 HydrophobicContact CD2-CD1 4.45Å; F43-I203 HydrophobicContact CG-CD1 3.88Å; A183-I203 CarbonylContact C-O 3.5Å; A183-I203 WeakPolarHBondContact CA-O 3.22Å; A183-I203 HydrophobicContact CB-CB 3.93Å; A183-I203 HydrophobicContact CB-CG2 3.64Å; V184-I203 PolarHBondContact N-O 3.39Å; M201-I203 PolarHBondContact O-N 3.37Å; I203-D256 HydrophobicContact CG2-CB 4.07Å; I203-L257 HydrophobicContact CG2-CD1 3.97Å; I203-L257 HydrophobicContact CG2-CG 4.02Å
204T95.5Very high90.8Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-115.1154.7179.3610000112.9R36 V184 A192 I195 I202 D256 L257R36-T204 PolarHBondContact NH2-OG1 2.79Å; V184-T204 CarbonylContact O-C 3.43Å; V184-T204 VanDerWaalsContact O-CA 3.24Å; V184-T204 WeakPolarHBondContact O-CA 3.19Å; A192-T204 HydrophobicContact CB-CG2 4.41Å; I195-T204 HydrophobicContact CB-CG2 3.98Å; I195-T204 HydrophobicContact CD1-CG2 4.46Å; I195-T204 HydrophobicContact CG2-CG2 3.6Å; I202-T204 HydrophobicContact CG2-CG2 4.48Å; I202-T204 PolarHBondContact O-N 3.24Å; T204-D256 PolarHBondContact O-N 3.49Å; T204-L257 PolarHBondContact O-N 3.1Å; T204-L257 VanDerWaalsContact O-N 3.15Å
205G94.1Very high90.6Very high1 Ų124.5 Ų24.51%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-145.4156.3178.600000114.2V184 S185 S186 L257V184-G205 PolarHBondContact O-N 2.94Å; S185-G205 VanDerWaalsContact CA-O 3.32Å; S185-G205 WeakPolarHBondContact CA-O 3.42Å; S186-G205 PolarHBondContact N-O 2.89Å; G205-L257 CarbonylContact C-O 3.57Å; G205-L257 WeakPolarHBondContact CA-O 3.42Å
206H93.2Very high90.1Very high2 Ų230 Ų301%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-102.7133.9171.3-66.3-59.9000110.8T253 A255 L257 M258 L259H206-T253 WeakPolarHBondContact NE2-CG2 3.37Å; H206-T253 PolarHBondContact NE2-OG1 3.42Å; H206-A255 VanDerWaalsContact CD2-CB 3.47Å; H206-A255 WeakPolarHBondContact CD2-CB 3.1Å; H206-A255 WeakPolarHBondContact NE2-CB 3.09Å; H206-L257 PolarHBondContact N-O 3.02Å; H206-M258 HydrophobicContact CB-CE 4.36Å; H206-M258 HydrophobicContact CB-SD 3.74Å; H206-M258 CarbonylContact O-C 3.58Å; H206-M258 WeakPolarHBondContact O-CA 3.5Å; H206-L259 PolarHBondContact O-N 3.32Å
207T92.8Very high89.7Confident8 Ų831.8 Ų31.85%0.04916%0.16CC..EExtended strand (participates in β ladder)trans-100.2132.8172.7-480000109.6S186 F187 L259 W283S186-T207 PolarHBondContact O-N 2.78Å; F187-T207 WeakPolarHBondContact CA-O 3.21Å; F187-T207 HydrophobicContact CD1-CG2 4.25Å; F187-T207 WeakPolarHBondContact CD1-O 3.49Å; F187-T207 HydrophobicContact CD2-CG2 3.83Å; F187-T207 HydrophobicContact CE1-CG2 3.88Å; F187-T207 HydrophobicContact CE2-CG2 3.37Å; F187-T207 HydrophobicContact CG-CG2 4.28Å; F187-T207 HydrophobicContact CZ-CG2 3.43Å; F187-T207 VanDerWaalsContact CZ-CG2 3.43Å; T207-L259 CarbonylContact C-O 3.56Å; T207-L259 WeakPolarHBondContact CA-O 3.27Å; T207-L259 HydrophobicContact CG2-CB 4.02Å; T207-W283 HydrophobicContact CG2-CZ2 3.91Å
208W89.2Confident89.2Confident10 Ų1024.5 Ų24.54%0.03814%0.136CC..EExtended strand (participates in β ladder)trans-149.4148.6-174.2177.776.9000113.6A210 I242 L245 H246 L259 V260 E261 W283W208-A210 HydrophobicContact CH2-CB 3.99Å; W208-A210 HydrophobicContact CZ2-CB 4.12Å; W208-I242 HydrophobicContact CH2-CD1 4.08Å; W208-I242 HydrophobicContact CH2-CG1 4.25Å; W208-I242 HydrophobicContact CH2-CG2 4.4Å; W208-I242 HydrophobicContact CZ2-CB 4.43Å; W208-I242 HydrophobicContact CZ2-CD1 3.42Å; W208-I242 VanDerWaalsContact CZ2-CD1 3.42Å; W208-I242 HydrophobicContact CZ2-CG1 3.37Å; W208-I242 HydrophobicContact CZ2-CG2 4.22Å; W208-L245 HydrophobicContact CB-CD2 3.71Å; W208-L245 HydrophobicContact CD2-CD2 4.26Å; W208-L245 HydrophobicContact CG-CD2 3.41Å; W208-L245 VanDerWaalsContact CG-CD2 3.41Å; W208-H246 AromaticContact CD2-NE2 3.83Å; W208-H246 AromaticContact CE3-CE1 3.89Å; W208-H246 AromaticContact CE3-NE2 3.65Å; W208-H246 AromaticContact CZ3-CE1 3.9Å; W208-L259 PolarHBondContact N-O 3.47Å; W208-V260 HydrophobicContact CE3-CG1 3.75Å; W208-V260 HydrophobicContact CZ3-CG1 3.79Å; W208-E261 PolarHBondContact O-N 3.3Å; W208-W283 WeakPolarHBondContact O-CZ2 3.49Å
209C88.8Confident88.4Confident0 Ų027 Ų270%015%0.15CC..  trans-143.5151.117277.80000111.9C218 E261 W283C209-C218 HydrophobicContact CB-CB 3.51Å; C209-C218 WeakPolarHBondContact CB-SG 3.34Å; C209-C218 WeakPolarHBondContact SG-CB 3.43Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 3.05Å; C209-E261 HydrophobicContact CB-CB 3.58Å; C209-E261 HydrophobicContact CB-CG 4.09Å; C209-W283 HydrophobicContact CB-CH2 3.95Å; C209-W283 HydrophobicContact CB-CZ2 3.92Å
210A85.6Confident87.9Confident33 Ų3328.7 Ų28.727%0.27316%0.159SC..THydrogen-bonded Turntrans-66.7151.3169.800000111.2W208 M212W208-A210 HydrophobicContact CH2-CB 3.99Å; W208-A210 HydrophobicContact CZ2-CB 4.12Å; A210-M212 VanDerWaalsContact C-N 3.26Å; A210-M212 PolarHBondContact O-N 2.73Å
211G83.9Confident87.5Confident0 Ų034 Ų340%017%0.172CC..THydrogen-bonded Turntrans790.3178.400000115.5F213 S214 Q215 E238G211-F213 PolarHBondContact O-N 3.26Å; G211-S214 PolarHBondContact O-N 2.78Å; G211-Q215 VanDerWaalsContact CA-CD 3.44Å; G211-Q215 WeakPolarHBondContact O-CA 3.49Å; G211-Q215 VanDerWaalsContact O-CB 3.24Å; G211-Q215 WeakPolarHBondContact O-CB 3.06Å; G211-Q215 PolarHBondContact O-N 3.06Å; G211-E238 VanDerWaalsContact CA-CD 3.46Å; G211-E238 WeakPolarHBondContact CA-OE1 3.28Å; G211-E238 WeakPolarHBondContact CA-OE2 3.44Å; G211-E238 VanDerWaalsContact N-CD 3.28Å; G211-E238 PolarHBondContact N-OE1 2.86Å; G211-E238 PolarHBondContact N-OE2 2.94Å
212M82.3Confident87.2Confident33 Ų3339.5 Ų39.516%0.16320%0.195CC..THydrogen-bonded Turntrans-47.9-41.2-176.9-175.5-176.8-66.500113.3F187 A210 R224 E238F187-M212 HydrophobicContact CD1-CE 3.38Å; F187-M212 HydrophobicContact CE1-CE 3.79Å; A210-M212 VanDerWaalsContact C-N 3.26Å; A210-M212 PolarHBondContact O-N 2.73Å; M212-R224 PolarHBondContact O-NH2 3.22Å; M212-E238 PolarHBondContact N-OE2 2.93Å; M212-E238 VanDerWaalsContact N-OE2 3.14Å
213F83.7Confident86.9Confident7 Ų743.9 Ų43.93%0.03121%0.211CC..THydrogen-bonded Turntrans-93.2-39.5-178.3-53.4-51.3000112.6F9 F12 G211 R224 L234 F237 E238 Y241F9-F213 HydrophobicContact CE2-CB 4.03Å; F9-F213 AromaticContact CE2-CD1 3.77Å; F9-F213 HydrophobicContact CE2-CD1 3.77Å; F9-F213 HydrophobicContact CE2-CG 4.16Å; F12-F213 AromaticContact CD1-CE1 3.77Å; F12-F213 HydrophobicContact CD1-CE1 3.77Å; F12-F213 HydrophobicContact CD1-CZ 4.37Å; F12-F213 AromaticContact CE1-CE1 3.31Å; F12-F213 HydrophobicContact CE1-CE1 3.31Å; F12-F213 AromaticContact CE1-CZ 3.56Å; F12-F213 HydrophobicContact CE1-CZ 3.56Å; F12-F213 HydrophobicContact CZ-CE1 4.12Å; F12-F213 HydrophobicContact CZ-CZ 4.29Å; G211-F213 PolarHBondContact O-N 3.26Å; F213-R224 WeakPolarHBondContact O-CD 3.49Å; F213-L234 HydrophobicContact CB-CD2 4.46Å; F213-F237 AromaticContact CD2-CD1 3.68Å; F213-F237 HydrophobicContact CD2-CD1 3.68Å; F213-F237 AromaticContact CD2-CE1 3.83Å; F213-F237 HydrophobicContact CD2-CE1 3.83Å; F213-F237 AromaticContact CE2-CD1 3.85Å; F213-F237 HydrophobicContact CE2-CD1 3.85Å; F213-F237 AromaticContact CE2-CE1 3.53Å; F213-F237 HydrophobicContact CE2-CE1 3.53Å; F213-F237 HydrophobicContact CG-CD1 4.32Å; F213-F237 HydrophobicContact CG-CE1 4.47Å; F213-F237 AromaticContact CZ-CE1 3.97Å; F213-F237 HydrophobicContact CZ-CE1 3.97Å; F213-E238 HydrophobicContact CD2-CB 3.93Å; F213-E238 HydrophobicContact CD2-CG 4.02Å; F213-E238 PolarHBondContact N-OE2 3.47Å; F213-Y241 AromaticContact CE2-CD1 3.34Å; F213-Y241 HydrophobicContact CE2-CD1 3.34Å; F213-Y241 AromaticContact CE2-CE1 3.99Å; F213-Y241 HydrophobicContact CE2-CE1 3.99Å; F213-Y241 AromaticContact CE2-CG 3.68Å; F213-Y241 HydrophobicContact CE2-CG 3.68Å; F213-Y241 AromaticContact CZ-CD1 3.62Å; F213-Y241 HydrophobicContact CZ-CD1 3.62Å; F213-Y241 AromaticContact CZ-CE1 3.78Å; F213-Y241 HydrophobicContact CZ-CE1 3.78Å; F213-Y241 HydrophobicContact CZ-CG 4.05Å
214S86Confident86.5Confident3 Ų348.1 Ų48.12%0.02123%0.227CC..THydrogen-bonded Turntrans-89.8-22-169.264.90000114.1G211 R224 H231 E238G211-S214 PolarHBondContact O-N 2.78Å; S214-R224 PolarHBondContact O-N 3.24Å; S214-H231 PolarHBondContact O-ND1 3.16Å; S214-E238 PolarHBondContact N-OE2 3.49Å; S214-E238 PolarHBondContact OG-OE1 3.29Å; S214-E238 PolarHBondContact OG-OE2 2.87Å
215Q87.1Confident86.1Confident37 Ų3748.9 Ų48.917%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-116161.5-172.6-54.9174.75.200111.9G211 K222 R224G211-Q215 VanDerWaalsContact CA-CD 3.44Å; G211-Q215 WeakPolarHBondContact O-CA 3.49Å; G211-Q215 VanDerWaalsContact O-CB 3.24Å; G211-Q215 WeakPolarHBondContact O-CB 3.06Å; G211-Q215 PolarHBondContact O-N 3.06Å; Q215-K222 CarbonylContact C-O 3.48Å; Q215-K222 VanDerWaalsContact CA-O 3.24Å; Q215-K222 WeakPolarHBondContact CA-O 3.42Å; Q215-R224 PolarHBondContact O-NE 3.27Å; Q215-R224 PolarHBondContact O-NH2 3.28Å
216K83.8Confident85.8Confident114 Ų11455.8 Ų55.850%0.49627%0.267SS..EExtended strand (participates in β ladder)trans-65.6-39.5-175.8-75.8-173.8176.6-1780113D220 K222 R224K216-D220 HydrophobicContact CB-CB 4.16Å; K216-D220 WeakPolarHBondContact CD-OD2 3.5Å; K216-D220 PolarHBondContact N-O 3.32Å; K216-K222 HydrophobicContact CD-CB 4.15Å; K216-K222 HydrophobicContact CG-CB 4.45Å; K216-K222 PolarHBondContact N-O 3.48Å; K216-R224 PolarHBondContact O-NH2 3.3Å
217S82Confident85.7Confident51 Ų5160.3 Ų60.336%0.35729%0.291SS..EExtended strand (participates in β ladder)trans-155.2171.2172.569.80000109.2N219 D220S217-N219 PolarHBondContact O-N 2.88Å; S217-N219 VanDerWaalsContact O-N 3.14Å; S217-N219 PolarHBondContact OG-N 3.28Å; S217-D220 CarbonylContact O-C 3.56Å; S217-D220 PolarHBondContact O-N 3.16Å; S217-D220 WeakPolarHBondContact OG-CB 3.49Å; S217-D220 PolarHBondContact OG-N 3.46Å
218C79.2Confident85.5Confident28 Ų2864.4 Ų64.419%0.18931%0.313CS..THydrogen-bonded Turntrans-56.8-27.9174.5-490000112.6C209 W283C209-C218 HydrophobicContact CB-CB 3.51Å; C209-C218 WeakPolarHBondContact CB-SG 3.34Å; C209-C218 WeakPolarHBondContact SG-CB 3.43Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 3.05Å; C218-W283 HydrophobicContact CB-CH2 4.28Å
219N77.3Confident85.5Confident143 Ų14371.1 Ų71.177%0.76535%0.346SS*.THydrogen-bonded Turntrans-98-16-179.3-66.9-24.9000113.6S217S217-N219 PolarHBondContact O-N 2.88Å; S217-N219 VanDerWaalsContact O-N 3.14Å; S217-N219 PolarHBondContact OG-N 3.28Å
220D83.1Confident85.5Confident50 Ų5072.9 Ų72.927%0.26736%0.356SS..EExtended strand (participates in β ladder)trans-114.196179.2-1752.3000110.8K216 S217 K222K216-D220 HydrophobicContact CB-CB 4.16Å; K216-D220 WeakPolarHBondContact CD-OD2 3.5Å; K216-D220 PolarHBondContact N-O 3.32Å; S217-D220 CarbonylContact O-C 3.56Å; S217-D220 PolarHBondContact O-N 3.16Å; S217-D220 WeakPolarHBondContact OG-CB 3.49Å; S217-D220 PolarHBondContact OG-N 3.46Å; D220-K222 PolarHBondContact O-N 3Å; D220-K222 WeakPolarHBondContact OD1-CB 3.31Å; D220-K222 WeakPolarHBondContact OD1-CD 3.15Å; D220-K222 WeakPolarHBondContact OD1-CG 3.33Å; D220-K222 PolarHBondContact OD1-N 3.39Å
221R84.2Confident85.7Confident171 Ų17172.5 Ų72.565%0.64535%0.348SS*.EExtended strand (participates in β ladder)trans-67.61.6179.6-61.9-174.5175-170.9-3114.4
222K88.6Confident86Confident138 Ų13878.8 Ų78.860%0.637%0.373SS*.EExtended strand (participates in β ladder)trans-64147.6171-69.8170.9-171.7170.10110.3Q215 K216 D220 R224Q215-K222 CarbonylContact C-O 3.48Å; Q215-K222 VanDerWaalsContact CA-O 3.24Å; Q215-K222 WeakPolarHBondContact CA-O 3.42Å; K216-K222 HydrophobicContact CD-CB 4.15Å; K216-K222 HydrophobicContact CG-CB 4.45Å; K216-K222 PolarHBondContact N-O 3.48Å; D220-K222 PolarHBondContact O-N 3Å; D220-K222 WeakPolarHBondContact OD1-CB 3.31Å; D220-K222 WeakPolarHBondContact OD1-CD 3.15Å; D220-K222 WeakPolarHBondContact OD1-CG 3.33Å; D220-K222 PolarHBondContact OD1-N 3.39Å; K222-R224 PolarHBondContact O-N 2.94Å
223R89.2Confident86.4Confident92 Ų9281.1 Ų81.135%0.34739%0.388SS..EExtended strand (participates in β ladder)trans-56.7135.6178.2-58.8-173173.3172.4-4.1110.7Y225 N228 H231R223-Y225 VanDerWaalsContact C-N 3.34Å; R223-N228 PolarHBondContact NH1-OD1 3.4Å; R223-H231 PolarHBondContact NE-CD2 3.3Å
224R88.2Confident86.7Confident90 Ų9080.9 Ų80.934%0.3439%0.387SS..SBendtrans-67.4-37.3173.4-174172.8-72-86-3.3112.1M212 F213 S214 Q215 K216 K222M212-R224 PolarHBondContact O-NH2 3.22Å; F213-R224 WeakPolarHBondContact O-CD 3.49Å; S214-R224 PolarHBondContact O-N 3.24Å; Q215-R224 PolarHBondContact O-NE 3.27Å; Q215-R224 PolarHBondContact O-NH2 3.28Å; K216-R224 PolarHBondContact O-NH2 3.3Å; K222-R224 PolarHBondContact O-N 2.94Å
225Y86.8Confident86.8Confident16 Ų1682.3 Ų82.36%0.06340%0.396CS..  trans-126.4139.7-176.5-52.4-78.6000110.3F2 F6 R223 N227 L230 L234F2-Y225 HydrophobicContact CZ-CD1 4.21Å; F6-Y225 HydrophobicContact CD2-CE1 4.49Å; R223-Y225 VanDerWaalsContact C-N 3.34Å; Y225-N227 VanDerWaalsContact C-N 3.25Å; Y225-N227 PolarHBondContact O-N 3.18Å; Y225-L230 HydrophobicContact CD1-CD2 4.05Å; Y225-L230 HydrophobicContact CD2-CD2 3.86Å; Y225-L230 HydrophobicContact CD2-CG 4.24Å; Y225-L230 HydrophobicContact CE2-CD2 4.41Å; Y225-L230 HydrophobicContact CG-CD2 3.65Å; Y225-L230 HydrophobicContact CG-CG 4.42Å; Y225-L234 HydrophobicContact CD2-CD1 3.35Å; Y225-L234 HydrophobicContact CE2-CD1 3.34Å
226D87Confident86.9Confident146 Ų14685.7 Ų85.778%0.78141%0.414SS*.SBendtrans-73.5-19.4179.1-59.2-39.8000112.5N228D226-N228 PolarHBondContact O-N 3.32Å
227N90.5Very high87Confident96 Ų9682.9 Ų82.951%0.51340%0.402SS..  trans-69.8115.3177.5-176.8-55000111.2Y225 M229 L230 H231Y225-N227 VanDerWaalsContact C-N 3.25Å; Y225-N227 PolarHBondContact O-N 3.18Å; N227-M229 PolarHBondContact O-N 3.41Å; N227-M229 PolarHBondContact OD1-N 3.08Å; N227-L230 HydrophobicContact CB-CB 3.95Å; N227-L230 PolarHBondContact O-N 3.27Å; N227-L230 PolarHBondContact OD1-N 3.18Å; N227-H231 WeakPolarHBondContact O-CB 3.34Å; N227-H231 PolarHBondContact O-N 3.38Å
228N89.3Confident87.3Confident95 Ų9581.3 Ų81.351%0.50839%0.389SS..Hα-helixtrans-58.3-48.7-178.3-75.2-30.1000113.4R223 D226 L230 H231 Y232R223-N228 PolarHBondContact NH1-OD1 3.4Å; D226-N228 PolarHBondContact O-N 3.32Å; N228-L230 PolarHBondContact O-N 3.1Å; N228-H231 PolarHBondContact O-N 2.96Å; N228-Y232 WeakPolarHBondContact O-CD2 3.37Å; N228-Y232 PolarHBondContact O-N 3.24Å; N228-Y232 VanDerWaalsContact O-N 3.07Å
229M89.7Confident87.5Confident151 Ų15188.9 Ų88.974%0.74441%0.414SS*.Hα-helixtrans-62.4-47.2-177.2-174.4-177.8-164.100110.4N227 H231 Y232 V233N227-M229 PolarHBondContact O-N 3.41Å; N227-M229 PolarHBondContact OD1-N 3.08Å; M229-H231 VanDerWaalsContact C-N 3.35Å; M229-H231 PolarHBondContact O-N 3.01Å; M229-Y232 PolarHBondContact O-N 3.33Å; M229-V233 WeakPolarHBondContact O-CG2 2.84Å; M229-V233 PolarHBondContact O-N 2.78Å
230L89.2Confident87.9Confident37 Ų3787.6 Ų87.619%0.19441%0.406CS..Hα-helixtrans-58.4-47.4175.9-179.262.1000110.8F6 Y225 N227 N228 Y232 V233 L234F6-L230 HydrophobicContact CE2-CD1 4.49Å; F6-L230 HydrophobicContact CE2-CD2 3.78Å; Y225-L230 HydrophobicContact CD1-CD2 4.05Å; Y225-L230 HydrophobicContact CD2-CD2 3.86Å; Y225-L230 HydrophobicContact CD2-CG 4.24Å; Y225-L230 HydrophobicContact CE2-CD2 4.41Å; Y225-L230 HydrophobicContact CG-CD2 3.65Å; Y225-L230 HydrophobicContact CG-CG 4.42Å; N227-L230 HydrophobicContact CB-CB 3.95Å; N227-L230 PolarHBondContact O-N 3.27Å; N227-L230 PolarHBondContact OD1-N 3.18Å; N228-L230 PolarHBondContact O-N 3.1Å; L230-Y232 PolarHBondContact O-N 2.98Å; L230-V233 PolarHBondContact O-N 3.46Å; L230-L234 HydrophobicContact CD1-CD1 4.09Å; L230-L234 HydrophobicContact CD1-CD2 4.5Å; L230-L234 HydrophobicContact CD1-CG 4.13Å; L230-L234 HydrophobicContact CG-CD1 3.88Å; L230-L234 HydrophobicContact CG-CG 4.34Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 WeakPolarHBondContact O-CG 3.17Å; L230-L234 PolarHBondContact O-N 3.02Å
231H89.4Confident88Confident24 Ų2485.5 Ų85.511%0.11140%0.395CS..Hα-helixtrans-56.5-47.4178.8176.569.5000112.5S214 R223 N227 N228 M229 L234 V235S214-H231 PolarHBondContact O-ND1 3.16Å; R223-H231 PolarHBondContact NE-CD2 3.3Å; N227-H231 WeakPolarHBondContact O-CB 3.34Å; N227-H231 PolarHBondContact O-N 3.38Å; N228-H231 PolarHBondContact O-N 2.96Å; M229-H231 VanDerWaalsContact C-N 3.35Å; M229-H231 PolarHBondContact O-N 3.01Å; H231-L234 WeakPolarHBondContact O-CB 3.39Å; H231-L234 PolarHBondContact O-N 3.36Å; H231-V235 WeakPolarHBondContact O-CG2 3.17Å; H231-V235 PolarHBondContact O-N 2.82Å
232Y90.1Very high87.9Confident133 Ų13379.2 Ų79.252%0.52237%0.373SS..Hα-helixtrans-69.2-37.4179.7-73-66.8000113.3N228 M229 L230 L234 V235 I236N228-Y232 WeakPolarHBondContact O-CD2 3.37Å; N228-Y232 PolarHBondContact O-N 3.24Å; N228-Y232 VanDerWaalsContact O-N 3.07Å; M229-Y232 PolarHBondContact O-N 3.33Å; L230-Y232 PolarHBondContact O-N 2.98Å; Y232-L234 VanDerWaalsContact C-N 3.26Å; Y232-L234 PolarHBondContact O-N 3.35Å; Y232-V235 PolarHBondContact O-N 2.81Å; Y232-I236 WeakPolarHBondContact O-CG1 3.29Å; Y232-I236 PolarHBondContact O-N 3.23Å
233V90.6Very high87.6Confident81 Ų8180.4 Ų80.449%0.49137%0.374SS..Hα-helixtrans-58.1-43.5171.9168.50000110.3M229 L230 I236 F237M229-V233 WeakPolarHBondContact O-CG2 2.84Å; M229-V233 PolarHBondContact O-N 2.78Å; L230-V233 PolarHBondContact O-N 3.46Å; V233-I236 PolarHBondContact O-N 2.95Å; V233-F237 WeakPolarHBondContact O-CB 3.31Å; V233-F237 PolarHBondContact O-N 3.46Å
234L89.2Confident87.3Confident2 Ų278.3 Ų78.31%0.0137%0.37CS..Hα-helixtrans-66.7-37177.9-65.8174.2000113.1F9 M13 F213 Y225 L230 H231 Y232 F237 E238F9-L234 HydrophobicContact CE1-CD2 3.46Å; F9-L234 VanDerWaalsContact CE1-CD2 3.46Å; F9-L234 HydrophobicContact CE2-CD2 3.74Å; F9-L234 HydrophobicContact CZ-CD2 2.96Å; F9-L234 HydrophobicContact CZ-CG 4.38Å; M13-L234 HydrophobicContact CE-CD2 4.41Å; F213-L234 HydrophobicContact CB-CD2 4.46Å; Y225-L234 HydrophobicContact CD2-CD1 3.35Å; Y225-L234 HydrophobicContact CE2-CD1 3.34Å; L230-L234 HydrophobicContact CD1-CD1 4.09Å; L230-L234 HydrophobicContact CD1-CD2 4.5Å; L230-L234 HydrophobicContact CD1-CG 4.13Å; L230-L234 HydrophobicContact CG-CD1 3.88Å; L230-L234 HydrophobicContact CG-CG 4.34Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 WeakPolarHBondContact O-CG 3.17Å; L230-L234 PolarHBondContact O-N 3.02Å; H231-L234 WeakPolarHBondContact O-CB 3.39Å; H231-L234 PolarHBondContact O-N 3.36Å; Y232-L234 VanDerWaalsContact C-N 3.26Å; Y232-L234 PolarHBondContact O-N 3.35Å; L234-F237 PolarHBondContact O-N 3.36Å; L234-E238 VanDerWaalsContact O-CB 3.22Å; L234-E238 WeakPolarHBondContact O-CB 3.31Å; L234-E238 PolarHBondContact O-N 3.12Å
235V88Confident87Confident34 Ų3474.1 Ų74.121%0.20635%0.354CS..Hα-helixtrans-64.5-42.8174.6170.10000111.2H231 Y232 E238 R239H231-V235 WeakPolarHBondContact O-CG2 3.17Å; H231-V235 PolarHBondContact O-N 2.82Å; Y232-V235 PolarHBondContact O-N 2.81Å; V235-E238 PolarHBondContact O-N 3.27Å; V235-R239 WeakPolarHBondContact O-CG 3.4Å; V235-R239 PolarHBondContact O-N 3.48Å; V235-R239 VanDerWaalsContact O-N 3.16Å
236I88.8Confident86.7Confident107 Ų10774.2 Ų74.255%0.54936%0.355SS..Hα-helixtrans-64.2-47.5176.2-67167.4000110Y232 V233 E238 R239 L240Y232-I236 WeakPolarHBondContact O-CG1 3.29Å; Y232-I236 PolarHBondContact O-N 3.23Å; V233-I236 PolarHBondContact O-N 2.95Å; I236-E238 VanDerWaalsContact C-N 3.31Å; I236-E238 PolarHBondContact O-N 3.3Å; I236-R239 PolarHBondContact O-N 2.71Å; I236-L240 HydrophobicContact CG2-CD1 4.41Å; I236-L240 PolarHBondContact O-N 3.46Å; I236-L240 VanDerWaalsContact O-N 3.16Å
237F87.4Confident86.2Confident56 Ų5669 Ų6925%0.24633%0.327CS..Hα-helixtrans-58.1-44.6177178.1-94.8000111.8M13 L16 F213 V233 L234 R239 L240 Y241M13-F237 HydrophobicContact CE-CB 4.21Å; M13-F237 HydrophobicContact CE-CD1 3.21Å; M13-F237 HydrophobicContact CE-CD2 3.57Å; M13-F237 HydrophobicContact CE-CE1 3.3Å; M13-F237 HydrophobicContact CE-CE2 3.65Å; M13-F237 HydrophobicContact CE-CG 3.34Å; M13-F237 HydrophobicContact CE-CZ 3.53Å; M13-F237 HydrophobicContact SD-CD1 3.93Å; M13-F237 HydrophobicContact SD-CD2 4.15Å; M13-F237 HydrophobicContact SD-CE1 3.32Å; M13-F237 WeakPolarHBondContact SD-CE1 3.47Å; M13-F237 HydrophobicContact SD-CE2 3.57Å; M13-F237 VanDerWaalsContact SD-CE2 3.57Å; M13-F237 HydrophobicContact SD-CG 4.3Å; M13-F237 HydrophobicContact SD-CZ 3.12Å; M13-F237 WeakPolarHBondContact SD-CZ 3.18Å; L16-F237 HydrophobicContact CD2-CE1 4.24Å; L16-F237 HydrophobicContact CD2-CZ 3.83Å; F213-F237 AromaticContact CD2-CD1 3.68Å; F213-F237 HydrophobicContact CD2-CD1 3.68Å; F213-F237 AromaticContact CD2-CE1 3.83Å; F213-F237 HydrophobicContact CD2-CE1 3.83Å; F213-F237 AromaticContact CE2-CD1 3.85Å; F213-F237 HydrophobicContact CE2-CD1 3.85Å; F213-F237 AromaticContact CE2-CE1 3.53Å; F213-F237 HydrophobicContact CE2-CE1 3.53Å; F213-F237 HydrophobicContact CG-CD1 4.32Å; F213-F237 HydrophobicContact CG-CE1 4.47Å; F213-F237 AromaticContact CZ-CE1 3.97Å; F213-F237 HydrophobicContact CZ-CE1 3.97Å; V233-F237 WeakPolarHBondContact O-CB 3.31Å; V233-F237 PolarHBondContact O-N 3.46Å; L234-F237 PolarHBondContact O-N 3.36Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 3.34Å; F237-L240 PolarHBondContact O-N 2.75Å; F237-L240 VanDerWaalsContact O-N 3.14Å; F237-Y241 WeakPolarHBondContact O-CB 3.37Å; F237-Y241 PolarHBondContact O-N 2.89Å
238E86.6Confident85.6Confident17 Ų1766 Ų668%0.07931%0.312CS..Hα-helixtrans-58.4-43.4178.2-170.2170.19300111.5G211 M212 F213 S214 L234 V235 I236 L240 Y241 I242G211-E238 VanDerWaalsContact CA-CD 3.46Å; G211-E238 WeakPolarHBondContact CA-OE1 3.28Å; G211-E238 WeakPolarHBondContact CA-OE2 3.44Å; G211-E238 VanDerWaalsContact N-CD 3.28Å; G211-E238 PolarHBondContact N-OE1 2.86Å; G211-E238 PolarHBondContact N-OE2 2.94Å; M212-E238 PolarHBondContact N-OE2 2.93Å; M212-E238 VanDerWaalsContact N-OE2 3.14Å; F213-E238 HydrophobicContact CD2-CB 3.93Å; F213-E238 HydrophobicContact CD2-CG 4.02Å; F213-E238 PolarHBondContact N-OE2 3.47Å; S214-E238 PolarHBondContact N-OE2 3.49Å; S214-E238 PolarHBondContact OG-OE1 3.29Å; S214-E238 PolarHBondContact OG-OE2 2.87Å; L234-E238 VanDerWaalsContact O-CB 3.22Å; L234-E238 WeakPolarHBondContact O-CB 3.31Å; L234-E238 PolarHBondContact O-N 3.12Å; V235-E238 PolarHBondContact O-N 3.27Å; I236-E238 VanDerWaalsContact C-N 3.31Å; I236-E238 PolarHBondContact O-N 3.3Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 2.71Å; E238-Y241 PolarHBondContact O-N 2.88Å; E238-I242 HydrophobicContact CG-CD1 4.04Å; E238-I242 HydrophobicContact CG-CG1 4.49Å; E238-I242 WeakPolarHBondContact O-CG1 3.34Å; E238-I242 PolarHBondContact O-N 3.46Å
239R85.1Confident85Confident187 Ų18761.6 Ų61.671%0.70629%0.289SS*.Hα-helixtrans-60.8-42.2175.5-70.3178.8178.8-171.5-0.8112.8V235 I236 F237 R243V235-R239 WeakPolarHBondContact O-CG 3.4Å; V235-R239 PolarHBondContact O-N 3.48Å; V235-R239 VanDerWaalsContact O-N 3.16Å; I236-R239 PolarHBondContact O-N 2.71Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 3.34Å; R239-R243 PolarHBondContact O-N 3.25Å
240L86Confident84.4Confident117 Ų11754.5 Ų54.561%0.61325%0.254SS*.Hα-helixtrans-65.9-43.1175.9-66174.3000111I236 F237 E238 R243 L244I236-L240 HydrophobicContact CG2-CD1 4.41Å; I236-L240 PolarHBondContact O-N 3.46Å; I236-L240 VanDerWaalsContact O-N 3.16Å; F237-L240 PolarHBondContact O-N 2.75Å; F237-L240 VanDerWaalsContact O-N 3.14Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 2.71Å; L240-R243 PolarHBondContact O-N 3.44Å; L240-L244 WeakPolarHBondContact O-CB 3.34Å; L240-L244 PolarHBondContact O-N 2.83Å
241Y84.3Confident83.7Confident5 Ų558.2 Ų58.22%0.0227%0.266CS..Hα-helixtrans-63.1-43.3178.7177.2-113.5000112.4L16 F213 F237 E238 R243 L244 L245L16-Y241 HydrophobicContact CD1-CD2 4.19Å; L16-Y241 HydrophobicContact CD1-CE2 3.3Å; L16-Y241 HydrophobicContact CD2-CD2 3.19Å; L16-Y241 HydrophobicContact CD2-CE2 3.16Å; L16-Y241 HydrophobicContact CD2-CG 4.05Å; L16-Y241 HydrophobicContact CG-CD2 4.06Å; L16-Y241 HydrophobicContact CG-CE2 3.67Å; F213-Y241 AromaticContact CE2-CD1 3.34Å; F213-Y241 HydrophobicContact CE2-CD1 3.34Å; F213-Y241 AromaticContact CE2-CE1 3.99Å; F213-Y241 HydrophobicContact CE2-CE1 3.99Å; F213-Y241 AromaticContact CE2-CG 3.68Å; F213-Y241 HydrophobicContact CE2-CG 3.68Å; F213-Y241 AromaticContact CZ-CD1 3.62Å; F213-Y241 HydrophobicContact CZ-CD1 3.62Å; F213-Y241 AromaticContact CZ-CE1 3.78Å; F213-Y241 HydrophobicContact CZ-CE1 3.78Å; F213-Y241 HydrophobicContact CZ-CG 4.05Å; F237-Y241 WeakPolarHBondContact O-CB 3.37Å; F237-Y241 PolarHBondContact O-N 2.89Å; E238-Y241 PolarHBondContact O-N 2.88Å; Y241-R243 VanDerWaalsContact C-N 3.31Å; Y241-R243 PolarHBondContact O-N 2.53Å; Y241-L244 CarbonylContact O-C 3.43Å; Y241-L244 WeakPolarHBondContact O-CB 3.27Å; Y241-L244 PolarHBondContact O-N 3.33Å; Y241-L245 HydrophobicContact CE1-CB 4.49Å; Y241-L245 HydrophobicContact CE1-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CB 4.46Å; Y241-L245 WeakPolarHBondContact O-CB 3.34Å; Y241-L245 PolarHBondContact O-N 3.03Å
242I81.6Confident83.1Confident39 Ų3961.7 Ų61.720%0.228%0.278CS..Hα-helixtrans-59.1-46.6178.2-68.5166.3000110.2W208 E238 L244 L245 H246W208-I242 HydrophobicContact CH2-CD1 4.08Å; W208-I242 HydrophobicContact CH2-CG1 4.25Å; W208-I242 HydrophobicContact CH2-CG2 4.4Å; W208-I242 HydrophobicContact CZ2-CB 4.43Å; W208-I242 HydrophobicContact CZ2-CD1 3.42Å; W208-I242 VanDerWaalsContact CZ2-CD1 3.42Å; W208-I242 HydrophobicContact CZ2-CG1 3.37Å; W208-I242 HydrophobicContact CZ2-CG2 4.22Å; E238-I242 HydrophobicContact CG-CD1 4.04Å; E238-I242 HydrophobicContact CG-CG1 4.49Å; E238-I242 WeakPolarHBondContact O-CG1 3.34Å; E238-I242 PolarHBondContact O-N 3.46Å; I242-L244 VanDerWaalsContact C-N 3.31Å; I242-L244 PolarHBondContact O-N 3.2Å; I242-L245 PolarHBondContact O-N 3.45Å; I242-H246 WeakPolarHBondContact O-CB 3.39Å; I242-H246 VanDerWaalsContact O-CG 3.26Å; I242-H246 PolarHBondContact O-N 3.05Å
243R82.2Confident82.5Confident164 Ų16455.4 Ų55.462%0.61925%0.254SS*.Hα-helixtrans-60.2-45.3178.1-165.370.5179.412114.8110.7R239 L240 Y241 D247R239-R243 PolarHBondContact O-N 3.25Å; L240-R243 PolarHBondContact O-N 3.44Å; Y241-R243 VanDerWaalsContact C-N 3.31Å; Y241-R243 PolarHBondContact O-N 2.53Å; R243-D247 VanDerWaalsContact CD-OD2 3.26Å; R243-D247 WeakPolarHBondContact CD-OD2 3.46Å; R243-D247 WeakPolarHBondContact CG-OD2 3.38Å; R243-D247 VanDerWaalsContact CZ-CG 3.43Å; R243-D247 IonicContact CZ-OD1 3.65Å; R243-D247 IonicContact CZ-OD2 3.07Å; R243-D247 IonicContact NE-OD2 2.78Å; R243-D247 PolarHBondContact NE-OD2 3.47Å; R243-D247 IonicContact NH1-OD1 3.47Å; R243-D247 PolarHBondContact NH1-OD1 2.66Å; R243-D247 IonicContact NH1-OD2 3.77Å; R243-D247 PolarHBondContact NH1-OD2 3.16Å; R243-D247 IonicContact NH2-OD1 2.93Å; R243-D247 IonicContact NH2-OD2 3.88Å; R243-D247 PolarHBondContact NH2-OD2 3.34Å; R243-D247 VanDerWaalsContact NH2-OD2 3.1Å; R243-D247 VanDerWaalsContact O-CB 3.3Å; R243-D247 WeakPolarHBondContact O-CB 3.48Å; R243-D247 VanDerWaalsContact O-CG 3.31Å; R243-D247 PolarHBondContact O-N 3.11Å
244L83.9Confident82Confident48 Ų4852.3 Ų52.325%0.25124%0.239SC..Hα-helixtrans-63.2-43.6177.1-177.367.3000112.8V20 L240 Y241 I242 V248 V249V20-L244 HydrophobicContact CB-CD2 4.21Å; V20-L244 HydrophobicContact CG1-CD1 3.75Å; V20-L244 HydrophobicContact CG1-CD2 3.89Å; V20-L244 HydrophobicContact CG1-CG 4.28Å; V20-L244 HydrophobicContact CG2-CD1 4.42Å; V20-L244 HydrophobicContact CG2-CD2 3.47Å; V20-L244 VanDerWaalsContact CG2-CD2 3.47Å; V20-L244 HydrophobicContact CG2-CG 4.07Å; L240-L244 WeakPolarHBondContact O-CB 3.34Å; L240-L244 PolarHBondContact O-N 2.83Å; Y241-L244 CarbonylContact O-C 3.43Å; Y241-L244 WeakPolarHBondContact O-CB 3.27Å; Y241-L244 PolarHBondContact O-N 3.33Å; I242-L244 VanDerWaalsContact C-N 3.31Å; I242-L244 PolarHBondContact O-N 3.2Å; L244-V248 HydrophobicContact CD1-CB 3.83Å; L244-V248 HydrophobicContact CD1-CG1 4.17Å; L244-V248 HydrophobicContact CD1-CG2 3.87Å; L244-V248 CarbonylContact O-C 3.59Å; L244-V248 WeakPolarHBondContact O-CA 3.43Å; L244-V248 VanDerWaalsContact O-CB 3.23Å; L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 PolarHBondContact O-N 3.47Å; L244-V249 HydrophobicContact CG-CG2 4.31Å; L244-V249 PolarHBondContact O-N 2.93Å
245L82Confident81.9Confident2 Ų252.5 Ų52.51%0.0124%0.24CC..Iπ-helixtrans-61.1-48.3179.8-178.966.4000110.6P189 W208 Y241 I242 V249 A250P189-L245 HydrophobicContact CG-CD1 4.35Å; W208-L245 HydrophobicContact CB-CD2 3.71Å; W208-L245 HydrophobicContact CD2-CD2 4.26Å; W208-L245 HydrophobicContact CG-CD2 3.41Å; W208-L245 VanDerWaalsContact CG-CD2 3.41Å; Y241-L245 HydrophobicContact CE1-CB 4.49Å; Y241-L245 HydrophobicContact CE1-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CB 4.46Å; Y241-L245 WeakPolarHBondContact O-CB 3.34Å; Y241-L245 PolarHBondContact O-N 3.03Å; I242-L245 PolarHBondContact O-N 3.45Å; L245-V249 HydrophobicContact CD1-CB 3.94Å; L245-V249 HydrophobicContact CD1-CG1 3.86Å; L245-V249 HydrophobicContact CD1-CG2 4.43Å; L245-A250 WeakPolarHBondContact O-CB 3.15Å; L245-A250 PolarHBondContact O-N 2.92Å
246H80.2Confident82.1Confident17 Ų1752.1 Ų52.18%0.07924%0.237CC..Iπ-helixtrans-77.7-36.1-173.1-68173000113.4W208 I242 Y269 M273W208-H246 AromaticContact CD2-NE2 3.83Å; W208-H246 AromaticContact CE3-CE1 3.89Å; W208-H246 AromaticContact CE3-NE2 3.65Å; W208-H246 AromaticContact CZ3-CE1 3.9Å; I242-H246 WeakPolarHBondContact O-CB 3.39Å; I242-H246 VanDerWaalsContact O-CG 3.26Å; I242-H246 PolarHBondContact O-N 3.05Å; H246-Y269 AromaticContact CE1-CE2 3.6Å; H246-Y269 AromaticContact CE1-CZ 3.92Å; H246-Y269 PolarHBondContact CE1-OH 2.93Å; H246-Y269 AromaticContact ND1-CE2 3.51Å; H246-Y269 PolarHBondContact NE2-OH 3.41Å; H246-M273 HydrophobicContact CB-CE 3.44Å; H246-M273 VanDerWaalsContact CB-CE 3.44Å
247D76.3Confident82.4Confident37 Ų3747 Ų4720%0.19821%0.211CC..Iπ-helixtrans-94.6-28.2-177.4-62.6-32.3000114.1R243 R251R243-D247 VanDerWaalsContact CD-OD2 3.26Å; R243-D247 WeakPolarHBondContact CD-OD2 3.46Å; R243-D247 WeakPolarHBondContact CG-OD2 3.38Å; R243-D247 VanDerWaalsContact CZ-CG 3.43Å; R243-D247 IonicContact CZ-OD1 3.65Å; R243-D247 IonicContact CZ-OD2 3.07Å; R243-D247 IonicContact NE-OD2 2.78Å; R243-D247 PolarHBondContact NE-OD2 3.47Å; R243-D247 IonicContact NH1-OD1 3.47Å; R243-D247 PolarHBondContact NH1-OD1 2.66Å; R243-D247 IonicContact NH1-OD2 3.77Å; R243-D247 PolarHBondContact NH1-OD2 3.16Å; R243-D247 IonicContact NH2-OD1 2.93Å; R243-D247 IonicContact NH2-OD2 3.88Å; R243-D247 PolarHBondContact NH2-OD2 3.34Å; R243-D247 VanDerWaalsContact NH2-OD2 3.1Å; R243-D247 VanDerWaalsContact O-CB 3.3Å; R243-D247 WeakPolarHBondContact O-CB 3.48Å; R243-D247 VanDerWaalsContact O-CG 3.31Å; R243-D247 PolarHBondContact O-N 3.11Å; D247-R251 WeakPolarHBondContact O-CD 3.33Å; D247-R251 PolarHBondContact O-NE 3.11Å; D247-R251 PolarHBondContact O-NH1 3.38Å
248V77.9Confident82.7Confident34 Ų3444.4 Ų44.421%0.20620%0.199CC..Iπ-helixtrans-115.7-70.9-171.2-175.10000108.7L244 A250 R251 Y252L244-V248 HydrophobicContact CD1-CB 3.83Å; L244-V248 HydrophobicContact CD1-CG1 4.17Å; L244-V248 HydrophobicContact CD1-CG2 3.87Å; L244-V248 CarbonylContact O-C 3.59Å; L244-V248 WeakPolarHBondContact O-CA 3.43Å; L244-V248 VanDerWaalsContact O-CB 3.23Å; L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 PolarHBondContact O-N 3.47Å; V248-A250 VanDerWaalsContact C-N 3.32Å; V248-A250 PolarHBondContact O-N 3.24Å; V248-A250 VanDerWaalsContact O-N 3.17Å; V248-R251 WeakPolarHBondContact O-CA 3.31Å; V248-R251 WeakPolarHBondContact O-CB 3.47Å; V248-R251 PolarHBondContact O-N 2.98Å; V248-Y252 HydrophobicContact CB-CD2 4.34Å; V248-Y252 HydrophobicContact CG1-CD2 3.49Å; V248-Y252 VanDerWaalsContact CG1-CD2 3.49Å; V248-Y252 HydrophobicContact CG1-CE2 3.72Å; V248-Y252 WeakPolarHBondContact O-CD2 3.22Å; V248-Y252 PolarHBondContact O-N 3.5Å
249V76.8Confident83.2Confident2 Ų243.7 Ų43.71%0.01220%0.196CC..Iπ-helixtrans-52.8-49.5-169177.90000111.6V20 P189 L244 L245 R251 Y252 T253V20-V249 HydrophobicContact CG2-CG2 4.28Å; P189-V249 HydrophobicContact CB-CG1 3.71Å; P189-V249 HydrophobicContact CG-CG1 4.11Å; L244-V249 HydrophobicContact CG-CG2 4.31Å; L244-V249 PolarHBondContact O-N 2.93Å; L245-V249 HydrophobicContact CD1-CB 3.94Å; L245-V249 HydrophobicContact CD1-CG1 3.86Å; L245-V249 HydrophobicContact CD1-CG2 4.43Å; V249-R251 PolarHBondContact O-N 3.46Å; V249-Y252 PolarHBondContact O-N 3.24Å; V249-Y252 VanDerWaalsContact O-N 3.11Å; V249-T253 HydrophobicContact CG1-CG2 3.6Å; V249-T253 WeakPolarHBondContact O-CB 3.43Å; V249-T253 WeakPolarHBondContact O-CG2 3.23Å; V249-T253 PolarHBondContact O-N 3.37Å; V249-T253 PolarHBondContact O-OG1 3.03Å; V249-T253 VanDerWaalsContact O-OG1 3.1Å
250A76Confident83.6Confident2 Ų234.8 Ų34.82%0.01716%0.163CC..Hα-helixtrans-58.3-34.2179.600000113.6L245 V248 M258 I278L245-A250 WeakPolarHBondContact O-CB 3.15Å; L245-A250 PolarHBondContact O-N 2.92Å; V248-A250 VanDerWaalsContact C-N 3.32Å; V248-A250 PolarHBondContact O-N 3.24Å; V248-A250 VanDerWaalsContact O-N 3.17Å; A250-M258 HydrophobicContact CB-CE 3.53Å; A250-I278 HydrophobicContact CB-CD1 3.46Å; A250-I278 VanDerWaalsContact CB-CD1 3.46Å; A250-I278 HydrophobicContact CB-CG1 4.49Å
251R75.5Confident84Confident115 Ų11529.6 Ų29.643%0.43414%0.135SC..Hα-helixtrans-79.4-27.7178.7-59.4-172.7-174.5161.6-6.5113.5D247 V248 V249 N276D247-R251 WeakPolarHBondContact O-CD 3.33Å; D247-R251 PolarHBondContact O-NE 3.11Å; D247-R251 PolarHBondContact O-NH1 3.38Å; V248-R251 WeakPolarHBondContact O-CA 3.31Å; V248-R251 WeakPolarHBondContact O-CB 3.47Å; V248-R251 PolarHBondContact O-N 2.98Å; V249-R251 PolarHBondContact O-N 3.46Å; R251-N276 PolarHBondContact NE-OD1 3.48Å; R251-N276 PolarHBondContact NH2-ND2 2.87Å; R251-N276 PolarHBondContact NH2-OD1 3.4Å
252Y77.2Confident84.5Confident97 Ų9732.6 Ų32.638%0.3815%0.146SC..Hα-helixtrans-99.6-16.5-175.3-74.5-83.2000113.9V248 V249 G254V248-Y252 HydrophobicContact CB-CD2 4.34Å; V248-Y252 HydrophobicContact CG1-CD2 3.49Å; V248-Y252 VanDerWaalsContact CG1-CD2 3.49Å; V248-Y252 HydrophobicContact CG1-CE2 3.72Å; V248-Y252 WeakPolarHBondContact O-CD2 3.22Å; V248-Y252 PolarHBondContact O-N 3.5Å; V249-Y252 PolarHBondContact O-N 3.24Å; V249-Y252 VanDerWaalsContact O-N 3.11Å; Y252-G254 VanDerWaalsContact C-N 3.34Å
253T78Confident84.9Confident0 Ų035.2 Ų35.20%016%0.158CC..THydrogen-bonded Turntrans-84.1-10.7175.660.70000113.3M23 V193 H206 V249 A255M23-T253 HydrophobicContact CE-CG2 3.43Å; M23-T253 VanDerWaalsContact CE-CG2 3.43Å; M23-T253 HydrophobicContact SD-CG2 4.19Å; V193-T253 HydrophobicContact CG2-CG2 3.77Å; H206-T253 WeakPolarHBondContact NE2-CG2 3.37Å; H206-T253 PolarHBondContact NE2-OG1 3.42Å; V249-T253 HydrophobicContact CG1-CG2 3.6Å; V249-T253 WeakPolarHBondContact O-CB 3.43Å; V249-T253 WeakPolarHBondContact O-CG2 3.23Å; V249-T253 PolarHBondContact O-N 3.37Å; V249-T253 PolarHBondContact O-OG1 3.03Å; V249-T253 VanDerWaalsContact O-OG1 3.1Å; T253-A255 VanDerWaalsContact C-N 3.33Å; T253-A255 WeakPolarHBondContact OG1-CB 3.48Å; T253-A255 PolarHBondContact OG1-N 2.8Å
254G78.5Confident85.2Confident17 Ų1729.1 Ų29.118%0.17514%0.141CC..THydrogen-bonded Turntrans72.222.5-169.900000113.6R36 Y252R36-G254 PolarHBondContact NH2-O 3.41Å; Y252-G254 VanDerWaalsContact C-N 3.34Å
255A87.5Confident85.6Confident6 Ų627.7 Ų27.75%0.0513%0.133CC..  trans-76.3131.2-178.300000111.1H206 T253H206-A255 VanDerWaalsContact CD2-CB 3.47Å; H206-A255 WeakPolarHBondContact CD2-CB 3.1Å; H206-A255 WeakPolarHBondContact NE2-CB 3.09Å; T253-A255 VanDerWaalsContact C-N 3.33Å; T253-A255 WeakPolarHBondContact OG1-CB 3.48Å; T253-A255 PolarHBondContact OG1-N 2.8Å
256D92.4Very high86.2Confident25 Ų2530.2 Ų30.213%0.13415%0.15CC..  trans-88.2-24.6177.6-59.6-55.3000112.5R36 L40 I203 T204 N279R36-D256 IonicContact CZ-OD1 3.41Å; R36-D256 IonicContact CZ-OD2 2.98Å; R36-D256 IonicContact NE-OD1 3.41Å; R36-D256 IonicContact NE-OD2 3.34Å; R36-D256 PolarHBondContact NE-OD2 3.32Å; R36-D256 VanDerWaalsContact NH2-CG 3.32Å; R36-D256 IonicContact NH2-OD1 2.72Å; R36-D256 IonicContact NH2-OD2 3.74Å; R36-D256 PolarHBondContact NH2-OD2 3.02Å; L40-D256 HydrophobicContact CD1-CB 3.69Å; L40-D256 HydrophobicContact CD2-CB 3.75Å; L40-D256 HydrophobicContact CG-CB 4.34Å; I203-D256 HydrophobicContact CG2-CB 4.07Å; T204-D256 PolarHBondContact O-N 3.49Å; D256-N279 PolarHBondContact O-N 3.13Å; D256-N279 PolarHBondContact O-ND2 3Å
257L95.2Very high86.9Confident1 Ų133.4 Ų33.41%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-119147.5-172.6-50.2-179.8000111.7L40 F43 L44 A183 I203 T204 G205 H206 L259 N279 I281L40-L257 HydrophobicContact CD1-CD2 4.1Å; F43-L257 HydrophobicContact CE1-CD1 3.86Å; L44-L257 HydrophobicContact CD2-CD2 3.96Å; A183-L257 HydrophobicContact CB-CD1 3.62Å; I203-L257 HydrophobicContact CG2-CD1 3.97Å; I203-L257 HydrophobicContact CG2-CG 4.02Å; T204-L257 PolarHBondContact O-N 3.1Å; T204-L257 VanDerWaalsContact O-N 3.15Å; G205-L257 CarbonylContact C-O 3.57Å; G205-L257 WeakPolarHBondContact CA-O 3.42Å; H206-L257 PolarHBondContact N-O 3.02Å; L257-L259 HydrophobicContact CB-CD1 4.06Å; L257-N279 CarbonylContact C-O 3.55Å; L257-N279 VanDerWaalsContact CA-O 3.3Å; L257-N279 WeakPolarHBondContact CA-O 3.36Å; L257-N279 HydrophobicContact CD2-CB 3.92Å; L257-I281 HydrophobicContact CD1-CD1 4.34Å
258M94.4Very high87.7Confident0 Ų040.5 Ų40.50%019%0.188CC..EExtended strand (participates in β ladder)trans-129108.4168.5-172.972.972.600109.2H206 A250 V260 I278 N279 V280 I281H206-M258 HydrophobicContact CB-CE 4.36Å; H206-M258 HydrophobicContact CB-SD 3.74Å; H206-M258 CarbonylContact O-C 3.58Å; H206-M258 WeakPolarHBondContact O-CA 3.5Å; A250-M258 HydrophobicContact CB-CE 3.53Å; M258-V260 HydrophobicContact CB-CG2 4.3Å; M258-V260 HydrophobicContact CG-CG2 3.36Å; M258-V260 PolarHBondContact O-N 3.42Å; M258-I278 HydrophobicContact CB-CG2 3.67Å; M258-N279 PolarHBondContact N-O 2.9Å; M258-V280 CarbonylContact O-C 3.48Å; M258-V280 WeakPolarHBondContact O-CA 3.27Å; M258-I281 PolarHBondContact O-N 3.25Å
259L96.1Very high88.4Confident3 Ų340.2 Ų40.22%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-87.8104.6176.9-75.478000109.2I154 H206 T207 W208 L257 I281 W283 L303I154-L259 HydrophobicContact CD1-CD2 4.27Å; I154-L259 HydrophobicContact CG2-CD2 4.14Å; H206-L259 PolarHBondContact O-N 3.32Å; T207-L259 CarbonylContact C-O 3.56Å; T207-L259 WeakPolarHBondContact CA-O 3.27Å; T207-L259 HydrophobicContact CG2-CB 4.02Å; W208-L259 PolarHBondContact N-O 3.47Å; L257-L259 HydrophobicContact CB-CD1 4.06Å; L259-I281 CarbonylContact C-O 3.59Å; L259-I281 VanDerWaalsContact CA-O 3.22Å; L259-I281 WeakPolarHBondContact CA-O 3.49Å; L259-I281 HydrophobicContact CG-CB 4.28Å; L259-W283 VanDerWaalsContact C-CD1 3.43Å; L259-W283 PolarHBondContact O-NE1 3.37Å; L259-L303 HydrophobicContact CD2-CD1 4.18Å
260V94.4Very high89.3Confident0 Ų040.9 Ų40.90%019%0.188CC..EExtended strand (participates in β ladder)trans-114.1137.2-170-177.70000112.1W208 M258 R262 I265 Y269 V280 I281 A282 W283W208-V260 HydrophobicContact CE3-CG1 3.75Å; W208-V260 HydrophobicContact CZ3-CG1 3.79Å; M258-V260 HydrophobicContact CB-CG2 4.3Å; M258-V260 HydrophobicContact CG-CG2 3.36Å; M258-V260 PolarHBondContact O-N 3.42Å; V260-R262 PolarHBondContact O-N 2.74Å; V260-I265 HydrophobicContact CB-CD1 3.82Å; V260-I265 HydrophobicContact CB-CG1 3.82Å; V260-I265 HydrophobicContact CG1-CD1 4.08Å; V260-I265 HydrophobicContact CG1-CG1 3.54Å; V260-Y269 HydrophobicContact CG2-CE1 3.85Å; V260-Y269 WeakPolarHBondContact CG2-OH 3.28Å; V260-V280 HydrophobicContact CB-CG1 4.41Å; V260-V280 HydrophobicContact CG2-CG1 4.17Å; V260-I281 PolarHBondContact N-O 2.91Å; V260-A282 CarbonylContact O-C 3.5Å; V260-A282 VanDerWaalsContact O-CA 3.31Å; V260-A282 WeakPolarHBondContact O-CA 3.42Å; V260-W283 VanDerWaalsContact C-CD1 3.42Å; V260-W283 VanDerWaalsContact C-NE1 3.31Å; V260-W283 PolarHBondContact O-N 3.32Å
261E93.7Very high90.1Very high7 Ų744.1 Ų44.13%0.03321%0.205CC..EExtended strand (participates in β ladder)trans-57.7130.8172.2-175.3-78.7144.200111.4W208 C209 Q263 S264 W283W208-E261 PolarHBondContact O-N 3.3Å; C209-E261 HydrophobicContact CB-CB 3.58Å; C209-E261 HydrophobicContact CB-CG 4.09Å; E261-Q263 VanDerWaalsContact C-N 3.25Å; E261-Q263 PolarHBondContact O-N 3.28Å; E261-Q263 VanDerWaalsContact O-N 3.07Å; E261-Q263 WeakPolarHBondContact OE1-CB 3.48Å; E261-Q263 WeakPolarHBondContact OE1-CG 3.23Å; E261-Q263 PolarHBondContact OE1-N 3.36Å; E261-Q263 WeakPolarHBondContact OE2-CB 3.43Å; E261-Q263 PolarHBondContact OE2-N 3.36Å; E261-Q263 VanDerWaalsContact OE2-N 3.11Å; E261-S264 WeakPolarHBondContact O-CB 3.11Å; E261-S264 PolarHBondContact O-N 2.78Å; E261-S264 PolarHBondContact OE2-N 2.73Å; E261-S264 PolarHBondContact OE2-OG 2.81Å; E261-W283 CarbonylContact C-O 3.51Å; E261-W283 VanDerWaalsContact CA-O 3.24Å; E261-W283 WeakPolarHBondContact CA-O 3.49Å; E261-W283 HydrophobicContact CB-CH2 4.4Å; E261-W283 HydrophobicContact CB-CZ2 4.1Å
262R94Very high90.8Very high68 Ų6842.4 Ų42.426%0.25720%0.204SC..G310 helixtrans-58.4-25-167.267.8178.3-177.581.1-1.2115.8V260 S264 W283 T284 V285 E290 Y294V260-R262 PolarHBondContact O-N 2.74Å; R262-S264 PolarHBondContact O-N 3.24Å; R262-W283 PolarHBondContact N-O 3.15Å; R262-T284 VanDerWaalsContact CD-O 3.25Å; R262-T284 WeakPolarHBondContact CD-O 3.27Å; R262-T284 PolarHBondContact NE-O 2.98Å; R262-V285 HydrophobicContact CB-CG2 3.8Å; R262-E290 VanDerWaalsContact CD-OE2 3.31Å; R262-E290 WeakPolarHBondContact CD-OE2 3.32Å; R262-E290 IonicContact CZ-OE1 3.1Å; R262-E290 IonicContact CZ-OE2 2.68Å; R262-E290 VanDerWaalsContact CZ-OE2 3.28Å; R262-E290 IonicContact NE-OE2 2.82Å; R262-E290 IonicContact NH1-OE1 2.62Å; R262-E290 PolarHBondContact NH1-OE1 3.19Å; R262-E290 IonicContact NH1-OE2 2.71Å; R262-E290 PolarHBondContact NH1-OE2 3.36Å; R262-Y294 VanDerWaalsContact C-OH 3.27Å; R262-Y294 WeakPolarHBondContact CA-OH 3.47Å; R262-Y294 HydrophobicContact CB-CE2 4.07Å; R262-Y294 WeakPolarHBondContact CB-OH 3.44Å; R262-Y294 PolarHBondContact O-OH 2.59Å
263Q90.2Very high91.5Very high95 Ų9538.1 Ų38.144%0.44419%0.188SC..G310 helixtrans-79.9-10.5178.8-61.9170.9-0.300112.3E261E261-Q263 VanDerWaalsContact C-N 3.25Å; E261-Q263 PolarHBondContact O-N 3.28Å; E261-Q263 VanDerWaalsContact O-N 3.07Å; E261-Q263 WeakPolarHBondContact OE1-CB 3.48Å; E261-Q263 WeakPolarHBondContact OE1-CG 3.23Å; E261-Q263 PolarHBondContact OE1-N 3.36Å; E261-Q263 WeakPolarHBondContact OE2-CB 3.43Å; E261-Q263 PolarHBondContact OE2-N 3.36Å; E261-Q263 VanDerWaalsContact OE2-N 3.11Å
264S89.3Confident92.2Very high36 Ų3645.1 Ų45.125%0.25222%0.218SC..G310 helixtrans-99.2-1.2-176.1-54.50000113.5E261 R262E261-S264 WeakPolarHBondContact O-CB 3.11Å; E261-S264 PolarHBondContact O-N 2.78Å; E261-S264 PolarHBondContact OE2-N 2.73Å; E261-S264 PolarHBondContact OE2-OG 2.81Å; R262-S264 PolarHBondContact O-N 3.24Å
265I93.1Very high92.6Very high18 Ų1852 Ų529%0.09225%0.246CC..  trans-99.6137-174.5-56.2174.8000111.2V260 Y269 V270 V280 A282 Y294 L298V260-I265 HydrophobicContact CB-CD1 3.82Å; V260-I265 HydrophobicContact CB-CG1 3.82Å; V260-I265 HydrophobicContact CG1-CD1 4.08Å; V260-I265 HydrophobicContact CG1-CG1 3.54Å; I265-Y269 HydrophobicContact CG2-CD1 4.34Å; I265-V270 HydrophobicContact CG2-CG2 3.63Å; I265-V280 HydrophobicContact CD1-CG1 4.02Å; I265-A282 HydrophobicContact CD1-CB 3.39Å; I265-Y294 HydrophobicContact CB-CE1 4.27Å; I265-Y294 HydrophobicContact CD1-CE1 3.82Å; I265-Y294 HydrophobicContact CG2-CE1 4.18Å; I265-L298 HydrophobicContact CG2-CD1 4Å
266S93.6Very high92.5Very high54 Ų5453.9 Ų53.938%0.37825%0.254SS..  trans-132164.1169.566.40000110.2R268 Y269 V270S266-R268 VanDerWaalsContact C-N 3.26Å; S266-R268 PolarHBondContact O-N 2.89Å; S266-Y269 WeakPolarHBondContact O-CB 3.35Å; S266-Y269 PolarHBondContact O-N 3.14Å; S266-Y269 WeakPolarHBondContact OG-CB 3.32Å; S266-Y269 PolarHBondContact OG-N 2.88Å; S266-V270 PolarHBondContact O-N 3.19Å; S266-V270 VanDerWaalsContact O-N 3.08Å
267K94.4Very high92.3Very high84 Ų8457.2 Ų57.237%0.36528%0.28SS..Hα-helixtrans-56.4-43.3176.5-176.161.8173.271.90112.1Y269 V270 D271 L298K267-Y269 VanDerWaalsContact C-N 3.32Å; K267-Y269 PolarHBondContact O-N 2.72Å; K267-V270 PolarHBondContact O-N 2.93Å; K267-D271 IonicContact NZ-OD1 3.72Å; K267-D271 PolarHBondContact NZ-OD1 2.91Å; K267-D271 IonicContact NZ-OD2 3.87Å; K267-D271 PolarHBondContact NZ-OD2 2.99Å; K267-D271 PolarHBondContact O-N 3.24Å; K267-L298 HydrophobicContact CB-CD2 3.78Å; K267-L298 HydrophobicContact CD-CD2 4.29Å
268R94Very high92.1Very high186 Ų18657.4 Ų57.470%0.70228%0.281SS*.Hα-helixtrans-58.3-43.6175.3179.3176.4177.6169.33.8111.9S266 V270 D271 D272S266-R268 VanDerWaalsContact C-N 3.26Å; S266-R268 PolarHBondContact O-N 2.89Å; R268-V270 PolarHBondContact O-N 3.37Å; R268-D271 PolarHBondContact O-N 3.29Å; R268-D272 IonicContact NE-OD2 3.62Å; R268-D272 WeakPolarHBondContact O-CB 3.32Å; R268-D272 PolarHBondContact O-N 3.23Å
269Y92.9Very high92.1Very high28 Ų2859.7 Ų59.711%0.1129%0.293CS..Hα-helixtrans-60.9-45.2178.2178.3-92.2000112.2H246 V260 I265 S266 K267 D271 D272 M273 V280H246-Y269 AromaticContact CE1-CE2 3.6Å; H246-Y269 AromaticContact CE1-CZ 3.92Å; H246-Y269 PolarHBondContact CE1-OH 2.93Å; H246-Y269 AromaticContact ND1-CE2 3.51Å; H246-Y269 PolarHBondContact NE2-OH 3.41Å; V260-Y269 HydrophobicContact CG2-CE1 3.85Å; V260-Y269 WeakPolarHBondContact CG2-OH 3.28Å; I265-Y269 HydrophobicContact CG2-CD1 4.34Å; S266-Y269 WeakPolarHBondContact O-CB 3.35Å; S266-Y269 PolarHBondContact O-N 3.14Å; S266-Y269 WeakPolarHBondContact OG-CB 3.32Å; S266-Y269 PolarHBondContact OG-N 2.88Å; K267-Y269 VanDerWaalsContact C-N 3.32Å; K267-Y269 PolarHBondContact O-N 2.72Å; Y269-D271 VanDerWaalsContact C-N 3.32Å; Y269-D271 PolarHBondContact O-N 3.42Å; Y269-D272 PolarHBondContact O-N 3.49Å; Y269-M273 HydrophobicContact CD1-CG 4.23Å; Y269-M273 HydrophobicContact CD2-CE 4.45Å; Y269-M273 HydrophobicContact CE1-CG 3.79Å; Y269-M273 HydrophobicContact CE2-CE 3.55Å; Y269-M273 HydrophobicContact CE2-CG 4.2Å; Y269-M273 WeakPolarHBondContact O-CB 3.23Å; Y269-M273 WeakPolarHBondContact O-CG 3.49Å; Y269-M273 PolarHBondContact O-N 3.32Å; Y269-M273 WeakPolarHBondContact OH-CE 3.25Å; Y269-V280 HydrophobicContact CD1-CG1 4.49Å; Y269-V280 HydrophobicContact CD1-CG2 4.25Å; Y269-V280 HydrophobicContact CE1-CG1 4.05Å; Y269-V280 HydrophobicContact CE1-CG2 3.83Å
270V94.2Very high92.1Very high16 Ų1660 Ų6010%0.09730%0.295CS..Hα-helixtrans-60.8-43.5176.9177.10000110.8I265 S266 K267 R268 M273 K274 C300I265-V270 HydrophobicContact CG2-CG2 3.63Å; S266-V270 PolarHBondContact O-N 3.19Å; S266-V270 VanDerWaalsContact O-N 3.08Å; K267-V270 PolarHBondContact O-N 2.93Å; R268-V270 PolarHBondContact O-N 3.37Å; V270-M273 PolarHBondContact O-N 2.95Å; V270-K274 VanDerWaalsContact O-CB 3.31Å; V270-K274 WeakPolarHBondContact O-CB 3.48Å; V270-K274 PolarHBondContact O-N 2.98Å; V270-C300 HydrophobicContact CG2-CB 4.14Å
271D93.6Very high92.3Very high70 Ų7060 Ų6037%0.37430%0.295SS..Hα-helixtrans-66.8-43178.9-66.8-24.8000112.4K267 R268 Y269 M273 K274 H275K267-D271 IonicContact NZ-OD1 3.72Å; K267-D271 PolarHBondContact NZ-OD1 2.91Å; K267-D271 IonicContact NZ-OD2 3.87Å; K267-D271 PolarHBondContact NZ-OD2 2.99Å; K267-D271 PolarHBondContact O-N 3.24Å; R268-D271 PolarHBondContact O-N 3.29Å; Y269-D271 VanDerWaalsContact C-N 3.32Å; Y269-D271 PolarHBondContact O-N 3.42Å; D271-M273 PolarHBondContact O-N 3.47Å; D271-K274 PolarHBondContact O-N 2.97Å; D271-H275 WeakPolarHBondContact O-CB 3.37Å; D271-H275 PolarHBondContact O-N 3.29Å
272D91.3Very high92.4Very high79 Ų7959.7 Ų59.742%0.42229%0.294SS..Hα-helixtrans-63.5-40.6177.7-72.2-16.3000111.1R268 Y269 N276R268-D272 IonicContact NE-OD2 3.62Å; R268-D272 WeakPolarHBondContact O-CB 3.32Å; R268-D272 PolarHBondContact O-N 3.23Å; Y269-D272 PolarHBondContact O-N 3.49Å; D272-N276 PolarHBondContact O-N 3.33Å; D272-N276 PolarHBondContact O-ND2 3Å
273M91.5Very high92.6Very high8 Ų857.9 Ų57.94%0.03929%0.287CS..Hα-helixtrans-66.3-45.9175.3-74.8-65.6157.100111.9H246 Y269 V270 D271 H275 N276 S277 I278 V280H246-M273 HydrophobicContact CB-CE 3.44Å; H246-M273 VanDerWaalsContact CB-CE 3.44Å; Y269-M273 HydrophobicContact CD1-CG 4.23Å; Y269-M273 HydrophobicContact CD2-CE 4.45Å; Y269-M273 HydrophobicContact CE1-CG 3.79Å; Y269-M273 HydrophobicContact CE2-CE 3.55Å; Y269-M273 HydrophobicContact CE2-CG 4.2Å; Y269-M273 WeakPolarHBondContact O-CB 3.23Å; Y269-M273 WeakPolarHBondContact O-CG 3.49Å; Y269-M273 PolarHBondContact O-N 3.32Å; Y269-M273 WeakPolarHBondContact OH-CE 3.25Å; V270-M273 PolarHBondContact O-N 2.95Å; D271-M273 PolarHBondContact O-N 3.47Å; M273-H275 VanDerWaalsContact C-N 3.29Å; M273-H275 PolarHBondContact O-N 3.41Å; M273-N276 CarbonylContact O-C 3.18Å; M273-N276 WeakPolarHBondContact O-CA 3.5Å; M273-N276 WeakPolarHBondContact O-CB 3.2Å; M273-N276 PolarHBondContact O-N 2.62Å; M273-S277 PolarHBondContact O-N 3.29Å; M273-I278 CarbonylContact C-O 3.55Å; M273-I278 HydrophobicContact CB-CB 4.41Å; M273-I278 PolarHBondContact O-N 3.26Å; M273-I278 HydrophobicContact SD-CB 4.27Å; M273-I278 HydrophobicContact SD-CD1 4.2Å; M273-I278 HydrophobicContact SD-CG2 4.11Å; M273-V280 HydrophobicContact CB-CG2 3.5Å; M273-V280 HydrophobicContact CG-CG2 3.69Å
274K91.1Very high92.8Very high146 Ų14654.5 Ų54.564%0.63527%0.273SS*.Hα-helixtrans-62.4-36177.8-174.7172.8-177.4175.10112.3V270 D271 N276 S277 I278V270-K274 VanDerWaalsContact O-CB 3.31Å; V270-K274 WeakPolarHBondContact O-CB 3.48Å; V270-K274 PolarHBondContact O-N 2.98Å; D271-K274 PolarHBondContact O-N 2.97Å; K274-N276 PolarHBondContact O-N 3.25Å; K274-S277 PolarHBondContact O-N 2.92Å; K274-I278 PolarHBondContact N-O 2.86Å
275H88.7Confident93.2Very high163 Ų16352.8 Ų52.876%0.75526%0.261SS*.Hα-helixtrans-60.8-27.4173-177.270.6000112.6D271 M273 S277D271-H275 WeakPolarHBondContact O-CB 3.37Å; D271-H275 PolarHBondContact O-N 3.29Å; M273-H275 VanDerWaalsContact C-N 3.29Å; M273-H275 PolarHBondContact O-N 3.41Å; H275-S277 VanDerWaalsContact C-N 3.34Å
276N84.5Confident93.3Very high44 Ų4454.2 Ų54.224%0.23527%0.269CS..THydrogen-bonded Turntrans-94.716.8175.8-59.3-49.2000113.1R251 D272 M273 K274 I278R251-N276 PolarHBondContact NE-OD1 3.48Å; R251-N276 PolarHBondContact NH2-ND2 2.87Å; R251-N276 PolarHBondContact NH2-OD1 3.4Å; D272-N276 PolarHBondContact O-N 3.33Å; D272-N276 PolarHBondContact O-ND2 3Å; M273-N276 CarbonylContact O-C 3.18Å; M273-N276 WeakPolarHBondContact O-CA 3.5Å; M273-N276 WeakPolarHBondContact O-CB 3.2Å; M273-N276 PolarHBondContact O-N 2.62Å; K274-N276 PolarHBondContact O-N 3.25Å; N276-I278 HydrophobicContact CB-CD1 4.16Å; N276-I278 PolarHBondContact O-N 3.31Å
277S88.4Confident93.3Very high96 Ų9655.1 Ų55.167%0.67127%0.269SS*.THydrogen-bonded Turntrans60.123.9-177-55.40000114.8M273 K274 H275M273-S277 PolarHBondContact O-N 3.29Å; K274-S277 PolarHBondContact O-N 2.92Å; H275-S277 VanDerWaalsContact C-N 3.34Å
278I91.5Very high93.3Very high5 Ų554.4 Ų54.43%0.02627%0.273CS..  trans-106.2129.8176.8-63.6156.2000109.1A250 M258 M273 K274 N276A250-I278 HydrophobicContact CB-CD1 3.46Å; A250-I278 VanDerWaalsContact CB-CD1 3.46Å; A250-I278 HydrophobicContact CB-CG1 4.49Å; M258-I278 HydrophobicContact CB-CG2 3.67Å; M273-I278 CarbonylContact C-O 3.55Å; M273-I278 HydrophobicContact CB-CB 4.41Å; M273-I278 PolarHBondContact O-N 3.26Å; M273-I278 HydrophobicContact SD-CB 4.27Å; M273-I278 HydrophobicContact SD-CD1 4.2Å; M273-I278 HydrophobicContact SD-CG2 4.11Å; K274-I278 PolarHBondContact N-O 2.86Å; N276-I278 HydrophobicContact CB-CD1 4.16Å; N276-I278 PolarHBondContact O-N 3.31Å
279N94.6Very high93.3Very high47 Ų4751.6 Ų51.625%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-98.3125.4-178.5-60-86.7000110.3L44 D256 L257 M258L44-N279 HydrophobicContact CD1-CB 3.95Å; L44-N279 WeakPolarHBondContact CD1-ND2 3.19Å; L44-N279 WeakPolarHBondContact CD1-OD1 3.3Å; L44-N279 HydrophobicContact CD2-CB 4.2Å; D256-N279 PolarHBondContact O-N 3.13Å; D256-N279 PolarHBondContact O-ND2 3Å; L257-N279 CarbonylContact C-O 3.55Å; L257-N279 VanDerWaalsContact CA-O 3.3Å; L257-N279 WeakPolarHBondContact CA-O 3.36Å; L257-N279 HydrophobicContact CD2-CB 3.92Å; M258-N279 PolarHBondContact N-O 2.9Å
280V95.9Very high93.4Very high9 Ų953.1 Ų53.16%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-89135.3-177.6-176.20000110.1M258 V260 I265 Y269 M273 C300M258-V280 CarbonylContact O-C 3.48Å; M258-V280 WeakPolarHBondContact O-CA 3.27Å; V260-V280 HydrophobicContact CB-CG1 4.41Å; V260-V280 HydrophobicContact CG2-CG1 4.17Å; I265-V280 HydrophobicContact CD1-CG1 4.02Å; Y269-V280 HydrophobicContact CD1-CG1 4.49Å; Y269-V280 HydrophobicContact CD1-CG2 4.25Å; Y269-V280 HydrophobicContact CE1-CG1 4.05Å; Y269-V280 HydrophobicContact CE1-CG2 3.83Å; M273-V280 HydrophobicContact CB-CG2 3.5Å; M273-V280 HydrophobicContact CG-CG2 3.69Å; V280-C300 PolarHBondContact O-SG 3.06Å; V280-C300 VanDerWaalsContact O-SG 3.4Å
281I97.4Very high93.5Very high2 Ų253.1 Ų53.11%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-124.4125.2168.3-58.2177.4000107.5L47 I154 L257 M258 L259 V260 P301 L303L47-I281 HydrophobicContact CD2-CD1 4.09Å; I154-I281 HydrophobicContact CD1-CD1 3.73Å; L257-I281 HydrophobicContact CD1-CD1 4.34Å; M258-I281 PolarHBondContact O-N 3.25Å; L259-I281 CarbonylContact C-O 3.59Å; L259-I281 VanDerWaalsContact CA-O 3.22Å; L259-I281 WeakPolarHBondContact CA-O 3.49Å; L259-I281 HydrophobicContact CG-CB 4.28Å; V260-I281 PolarHBondContact N-O 2.91Å; I281-P301 WeakPolarHBondContact CA-O 3.42Å; I281-P301 HydrophobicContact CG1-CB 4.4Å; I281-L303 HydrophobicContact CG2-CD2 4.26Å; I281-L303 HydrophobicContact CG2-CG 4.05Å
282A97.5Very high93.5Very high0 Ų055.4 Ų55.40%029%0.287CS..EExtended strand (participates in β ladder)trans-82.1150.8-179.500000112.1V260 I265 V285 Y294 P301 Y302 L303V260-A282 CarbonylContact O-C 3.5Å; V260-A282 VanDerWaalsContact O-CA 3.31Å; V260-A282 WeakPolarHBondContact O-CA 3.42Å; I265-A282 HydrophobicContact CD1-CB 3.39Å; A282-V285 HydrophobicContact CB-CG2 4.03Å; A282-Y294 HydrophobicContact CB-CD1 3.66Å; A282-Y294 HydrophobicContact CB-CE1 3.22Å; A282-Y294 HydrophobicContact CB-CE2 4.48Å; A282-Y294 HydrophobicContact CB-CG 4.47Å; A282-P301 PolarHBondContact N-O 3.32Å; A282-Y302 CarbonylContact O-C 3.57Å; A282-Y302 VanDerWaalsContact O-CA 3.27Å; A282-Y302 WeakPolarHBondContact O-CA 3.42Å; A282-L303 PolarHBondContact O-N 2.89Å
283W96.7Very high93.7Very high29 Ų2956.8 Ų56.811%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-149.5150.817062.4-85.5000112.3F187 T207 W208 C209 C218 L259 V260 E261 R262 L303F187-W283 HydrophobicContact CE1-CH2 4.22Å; F187-W283 AromaticContact CE1-CZ2 3.92Å; F187-W283 HydrophobicContact CE1-CZ2 3.92Å; F187-W283 HydrophobicContact CE2-CZ2 4.47Å; F187-W283 AromaticContact CZ-CH2 3.53Å; F187-W283 HydrophobicContact CZ-CH2 3.53Å; F187-W283 AromaticContact CZ-CZ2 3.44Å; F187-W283 HydrophobicContact CZ-CZ2 3.44Å; F187-W283 VanDerWaalsContact CZ-CZ2 3.44Å; T207-W283 HydrophobicContact CG2-CZ2 3.91Å; W208-W283 WeakPolarHBondContact O-CZ2 3.49Å; C209-W283 HydrophobicContact CB-CH2 3.95Å; C209-W283 HydrophobicContact CB-CZ2 3.92Å; C218-W283 HydrophobicContact CB-CH2 4.28Å; L259-W283 VanDerWaalsContact C-CD1 3.43Å; L259-W283 PolarHBondContact O-NE1 3.37Å; V260-W283 VanDerWaalsContact C-CD1 3.42Å; V260-W283 VanDerWaalsContact C-NE1 3.31Å; V260-W283 PolarHBondContact O-N 3.32Å; E261-W283 CarbonylContact C-O 3.51Å; E261-W283 VanDerWaalsContact CA-O 3.24Å; E261-W283 WeakPolarHBondContact CA-O 3.49Å; E261-W283 HydrophobicContact CB-CH2 4.4Å; E261-W283 HydrophobicContact CB-CZ2 4.1Å; R262-W283 PolarHBondContact N-O 3.15Å; W283-L303 HydrophobicContact CB-CB 3.99Å; W283-L303 HydrophobicContact CB-CD1 4.05Å; W283-L303 HydrophobicContact CB-CG 4.28Å
284T95.7Very high93.9Very high24 Ų2456.7 Ų56.715%0.14729%0.286CS..  cis-104.2116.7-20.1-51.50000108.9H52 R262 N286 L303 D305H52-T284 HydrophobicContact CB-CG2 3.97Å; R262-T284 VanDerWaalsContact CD-O 3.25Å; R262-T284 WeakPolarHBondContact CD-O 3.27Å; R262-T284 PolarHBondContact NE-O 2.98Å; T284-N286 PolarHBondContact O-N 3Å; T284-L303 CarbonylContact C-O 3.56Å; T284-L303 WeakPolarHBondContact CA-O 3.43Å; T284-D305 WeakPolarHBondContact CG2-OD1 3.49Å; T284-D305 WeakPolarHBondContact CG2-OD2 3.4Å
285V96.1Very high94Very high0 Ų051.9 Ų51.90%027%0.271CS..  trans-96.294.5-170-174.70000110.2R262 A282 E290 K291 Y294 Y302 L303 T304R262-V285 HydrophobicContact CB-CG2 3.8Å; A282-V285 HydrophobicContact CB-CG2 4.03Å; V285-E290 HydrophobicContact CG1-CB 3.66Å; V285-K291 HydrophobicContact CG1-CG 3.85Å; V285-K291 WeakPolarHBondContact O-CE 3.38Å; V285-Y294 HydrophobicContact CB-CD2 4.38Å; V285-Y294 HydrophobicContact CG1-CD2 3.73Å; V285-Y294 HydrophobicContact CG1-CE2 4.2Å; V285-Y294 HydrophobicContact CG2-CD2 3.7Å; V285-Y294 HydrophobicContact CG2-CE2 3.64Å; V285-Y294 HydrophobicContact CG2-CG 4.32Å; V285-Y302 HydrophobicContact CB-CD2 3.94Å; V285-Y302 HydrophobicContact CB-CG 4.1Å; V285-Y302 HydrophobicContact CG1-CD2 4.47Å; V285-Y302 HydrophobicContact CG2-CG 4.29Å; V285-L303 PolarHBondContact N-O 2.94Å; V285-T304 VanDerWaalsContact O-CB 3.26Å; V285-T304 WeakPolarHBondContact O-CB 3.2Å; V285-T304 PolarHBondContact O-OG1 3.25Å; V285-T304 VanDerWaalsContact O-OG1 3.08Å
286N95.6Very high94.2Very high48 Ų4848 Ų4826%0.25726%0.262SS..  trans-98.9-26.2-174.8-70.4-31.3000114.5T284 K291 T304 D305T284-N286 PolarHBondContact O-N 3Å; N286-K291 VanDerWaalsContact O-CE 3.3Å; N286-K291 WeakPolarHBondContact O-CE 3.28Å; N286-K291 PolarHBondContact O-NZ 3.34Å; N286-T304 PolarHBondContact OD1-OG1 3.06Å; N286-D305 PolarHBondContact ND2-OD2 3.39Å; N286-D305 WeakPolarHBondContact OD1-CB 3.45Å; N286-D305 PolarHBondContact OD1-N 2.68Å; N286-D305 PolarHBondContact OD1-OD2 3.35Å
287D94.4Very high94.7Very high73 Ų7349.8 Ų49.839%0.3927%0.274SS..SBendtrans-73.5130.5-179.1179.782.3000111.4L289 E290 K291D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 3.14Å; D287-L289 WeakPolarHBondContact OD2-CA 3.37Å; D287-L289 WeakPolarHBondContact OD2-CB 3.28Å; D287-L289 PolarHBondContact OD2-N 2.89Å; D287-E290 HydrophobicContact CB-CB 4.06Å; D287-E290 HydrophobicContact CB-CG 3.92Å; D287-E290 PolarHBondContact O-N 3.07Å; D287-E290 PolarHBondContact OD2-N 3.22Å; D287-K291 WeakPolarHBondContact O-CG 3.24Å; D287-K291 PolarHBondContact O-N 2.98Å
288P93.7Very high95Very high69 Ų6945.2 Ų45.245%0.44824%0.242SC..Hα-helixtrans-58-38.9-178.4-26.735.3000114.7K291 E292P288-K291 WeakPolarHBondContact O-CB 3.42Å; P288-K291 PolarHBondContact O-N 3.1Å; P288-E292 PolarHBondContact O-N 3.08Å
289L94.1Very high95.2Very high128 Ų12850.3 Ų50.367%0.6727%0.273SS*.Hα-helixtrans-70.7-37.4178.7-63.2173.4000110.7D287 E292 Y293D287-L289 VanDerWaalsContact C-N 3.34Å; D287-L289 PolarHBondContact O-N 3.14Å; D287-L289 WeakPolarHBondContact OD2-CA 3.37Å; D287-L289 WeakPolarHBondContact OD2-CB 3.28Å; D287-L289 PolarHBondContact OD2-N 2.89Å; L289-E292 PolarHBondContact O-N 2.93Å; L289-Y293 WeakPolarHBondContact O-CB 3.31Å; L289-Y293 PolarHBondContact O-N 3.08Å
290E95Very high95.2Very high59 Ų5948.2 Ų48.228%0.27626%0.263SS..Hα-helixtrans-63.1-41.1172.1-66.9-171.5-176.200111.5R262 V285 D287 E292 Y293 Y294R262-E290 VanDerWaalsContact CD-OE2 3.31Å; R262-E290 WeakPolarHBondContact CD-OE2 3.32Å; R262-E290 IonicContact CZ-OE1 3.1Å; R262-E290 IonicContact CZ-OE2 2.68Å; R262-E290 VanDerWaalsContact CZ-OE2 3.28Å; R262-E290 IonicContact NE-OE2 2.82Å; R262-E290 IonicContact NH1-OE1 2.62Å; R262-E290 PolarHBondContact NH1-OE1 3.19Å; R262-E290 IonicContact NH1-OE2 2.71Å; R262-E290 PolarHBondContact NH1-OE2 3.36Å; V285-E290 HydrophobicContact CG1-CB 3.66Å; D287-E290 HydrophobicContact CB-CB 4.06Å; D287-E290 HydrophobicContact CB-CG 3.92Å; D287-E290 PolarHBondContact O-N 3.07Å; D287-E290 PolarHBondContact OD2-N 3.22Å; E290-E292 PolarHBondContact O-N 3.41Å; E290-Y293 WeakPolarHBondContact O-CB 3.22Å; E290-Y293 PolarHBondContact O-N 3.47Å; E290-Y293 VanDerWaalsContact O-N 3.16Å; E290-Y294 VanDerWaalsContact O-CD2 3.26Å; E290-Y294 WeakPolarHBondContact O-CD2 3.15Å; E290-Y294 PolarHBondContact O-N 2.84Å
291K95.9Very high95.3Very high17 Ų1749 Ų497%0.07427%0.268CS..Hα-helixtrans-59.5-44.1176-69.9175.8-169.5168.50112.4V285 N286 D287 P288 Y294 S295 Y302 T304 T306V285-K291 HydrophobicContact CG1-CG 3.85Å; V285-K291 WeakPolarHBondContact O-CE 3.38Å; N286-K291 VanDerWaalsContact O-CE 3.3Å; N286-K291 WeakPolarHBondContact O-CE 3.28Å; N286-K291 PolarHBondContact O-NZ 3.34Å; D287-K291 WeakPolarHBondContact O-CG 3.24Å; D287-K291 PolarHBondContact O-N 2.98Å; P288-K291 WeakPolarHBondContact O-CB 3.42Å; P288-K291 PolarHBondContact O-N 3.1Å; K291-Y294 PolarHBondContact O-N 2.8Å; K291-S295 WeakPolarHBondContact O-CB 3.02Å; K291-S295 PolarHBondContact O-N 3.27Å; K291-S295 PolarHBondContact O-OG 3.01Å; K291-Y302 HydrophobicContact CB-CE1 4.26Å; K291-Y302 HydrophobicContact CB-CE2 4.22Å; K291-Y302 HydrophobicContact CD-CE2 4.05Å; K291-Y302 HydrophobicContact CG-CD2 4.38Å; K291-Y302 HydrophobicContact CG-CE2 3.65Å; K291-T304 WeakPolarHBondContact CE-OG1 3.44Å; K291-T304 PolarHBondContact NZ-OG1 3.04Å; K291-T306 PolarHBondContact NZ-O 2.98Å
292E93.8Very high95.3Very high118 Ų11850.2 Ų50.255%0.55127%0.272SS*.Hα-helixtrans-62.9-42.7174.3-173.3176.2-172.300111.1P288 L289 E290 Y294 S295 S296P288-E292 PolarHBondContact O-N 3.08Å; L289-E292 PolarHBondContact O-N 2.93Å; E290-E292 PolarHBondContact O-N 3.41Å; E292-Y294 PolarHBondContact O-N 3.4Å; E292-S295 PolarHBondContact O-N 3.37Å; E292-S295 PolarHBondContact O-OG 3.04Å; E292-S296 WeakPolarHBondContact O-CB 3.46Å; E292-S296 PolarHBondContact O-N 3.32Å; E292-S296 PolarHBondContact O-OG 3.29Å
293Y95.9Very high95.3Very high107 Ų10750.3 Ų50.342%0.4227%0.273SS..Iπ-helixtrans-61.1-45.1176.5178.3-107.4000112.5L289 E290 V297 L298L289-Y293 WeakPolarHBondContact O-CB 3.31Å; L289-Y293 PolarHBondContact O-N 3.08Å; E290-Y293 WeakPolarHBondContact O-CB 3.22Å; E290-Y293 PolarHBondContact O-N 3.47Å; E290-Y293 VanDerWaalsContact O-N 3.16Å; Y293-V297 HydrophobicContact CD2-CB 3.73Å; Y293-V297 HydrophobicContact CD2-CG1 4.08Å; Y293-V297 HydrophobicContact CD2-CG2 3.85Å; Y293-V297 HydrophobicContact CE2-CB 3.88Å; Y293-V297 HydrophobicContact CE2-CG1 3.71Å; Y293-V297 HydrophobicContact CE2-CG2 4.32Å; Y293-V297 WeakPolarHBondContact O-CA 3.4Å; Y293-V297 VanDerWaalsContact O-CB 3.29Å; Y293-V297 WeakPolarHBondContact O-CB 3.43Å; Y293-V297 PolarHBondContact O-N 2.98Å; Y293-L298 HydrophobicContact CD1-CD1 4Å; Y293-L298 HydrophobicContact CD1-CG 4.1Å; Y293-L298 HydrophobicContact CE1-CD1 3.54Å; Y293-L298 HydrophobicContact CE1-CD2 4.01Å; Y293-L298 HydrophobicContact CE1-CG 3.65Å; Y293-L298 PolarHBondContact O-N 2.9Å
294Y96.5Very high95.4Very high6 Ų649 Ų492%0.02427%0.268CS..Iπ-helixtrans-63.2-46.3177.6-91.2-78.8000112.7R262 I265 A282 V285 E290 K291 E292 L298 V299 C300 Y302R262-Y294 VanDerWaalsContact C-OH 3.27Å; R262-Y294 WeakPolarHBondContact CA-OH 3.47Å; R262-Y294 HydrophobicContact CB-CE2 4.07Å; R262-Y294 WeakPolarHBondContact CB-OH 3.44Å; R262-Y294 PolarHBondContact O-OH 2.59Å; I265-Y294 HydrophobicContact CB-CE1 4.27Å; I265-Y294 HydrophobicContact CD1-CE1 3.82Å; I265-Y294 HydrophobicContact CG2-CE1 4.18Å; A282-Y294 HydrophobicContact CB-CD1 3.66Å; A282-Y294 HydrophobicContact CB-CE1 3.22Å; A282-Y294 HydrophobicContact CB-CE2 4.48Å; A282-Y294 HydrophobicContact CB-CG 4.47Å; V285-Y294 HydrophobicContact CB-CD2 4.38Å; V285-Y294 HydrophobicContact CG1-CD2 3.73Å; V285-Y294 HydrophobicContact CG1-CE2 4.2Å; V285-Y294 HydrophobicContact CG2-CD2 3.7Å; V285-Y294 HydrophobicContact CG2-CE2 3.64Å; V285-Y294 HydrophobicContact CG2-CG 4.32Å; E290-Y294 VanDerWaalsContact O-CD2 3.26Å; E290-Y294 WeakPolarHBondContact O-CD2 3.15Å; E290-Y294 PolarHBondContact O-N 2.84Å; K291-Y294 PolarHBondContact O-N 2.8Å; E292-Y294 PolarHBondContact O-N 3.4Å; Y294-L298 HydrophobicContact CD1-CD1 3.75Å; Y294-L298 HydrophobicContact CE1-CD1 3.56Å; Y294-L298 HydrophobicContact CG-CD1 4.34Å; Y294-V299 PolarHBondContact O-N 3Å; Y294-C300 HydrophobicContact CD1-CB 4.09Å; Y294-C300 PolarHBondContact O-N 3.11Å; Y294-Y302 HydrophobicContact CG-CD1 4.46Å
295S92.8Very high95.5Very high45 Ų4548.8 Ų48.832%0.31527%0.266SS..Iπ-helixtrans-74.7-45.2-177.152.80000113.1K291 E292K291-S295 WeakPolarHBondContact O-CB 3.02Å; K291-S295 PolarHBondContact O-N 3.27Å; K291-S295 PolarHBondContact O-OG 3.01Å; E292-S295 PolarHBondContact O-N 3.37Å; E292-S295 PolarHBondContact O-OG 3.04Å
296S92.4Very high95.5Very high81 Ų8150.2 Ų50.257%0.56628%0.275SS*.Iπ-helixtrans-93.1-32-170.4-59.20000113.9E292E292-S296 WeakPolarHBondContact O-CB 3.46Å; E292-S296 PolarHBondContact O-N 3.32Å; E292-S296 PolarHBondContact O-OG 3.29Å
297V94.4Very high95.4Very high82 Ų8249.9 Ų49.950%0.49727%0.272SS..Iπ-helixtrans-104-51.7-175.4-175.30000111.6Y293 V299Y293-V297 HydrophobicContact CD2-CB 3.73Å; Y293-V297 HydrophobicContact CD2-CG1 4.08Å; Y293-V297 HydrophobicContact CD2-CG2 3.85Å; Y293-V297 HydrophobicContact CE2-CB 3.88Å; Y293-V297 HydrophobicContact CE2-CG1 3.71Å; Y293-V297 HydrophobicContact CE2-CG2 4.32Å; Y293-V297 WeakPolarHBondContact O-CA 3.4Å; Y293-V297 VanDerWaalsContact O-CB 3.29Å; Y293-V297 WeakPolarHBondContact O-CB 3.43Å; Y293-V297 PolarHBondContact O-N 2.98Å; V297-V299 VanDerWaalsContact C-N 3.34Å
298L95.7Very high94.9Very high1 Ų153.6 Ų53.61%0.00529%0.287CS..Iπ-helixtrans-77.2-23.4179.7-62.3-174.8000112.8I265 K267 Y293 Y294 C300I265-L298 HydrophobicContact CG2-CD1 4Å; K267-L298 HydrophobicContact CB-CD2 3.78Å; K267-L298 HydrophobicContact CD-CD2 4.29Å; Y293-L298 HydrophobicContact CD1-CD1 4Å; Y293-L298 HydrophobicContact CD1-CG 4.1Å; Y293-L298 HydrophobicContact CE1-CD1 3.54Å; Y293-L298 HydrophobicContact CE1-CD2 4.01Å; Y293-L298 HydrophobicContact CE1-CG 3.65Å; Y293-L298 PolarHBondContact O-N 2.9Å; Y294-L298 HydrophobicContact CD1-CD1 3.75Å; Y294-L298 HydrophobicContact CE1-CD1 3.56Å; Y294-L298 HydrophobicContact CG-CD1 4.34Å; L298-C300 HydrophobicContact CB-CB 3.93Å; L298-C300 PolarHBondContact O-N 3.08Å
299V94.5Very high94.2Very high111 Ų11153.8 Ų53.867%0.67329%0.285SS*.  trans51.245.4-171.9-1640000109.9Y294 V297Y294-V299 PolarHBondContact O-N 3Å; V297-V299 VanDerWaalsContact C-N 3.34Å
300C96Very high93.4Very high4 Ų447.7 Ų47.73%0.02725%0.253CS..  trans-123.2124.6-175.1178.60000108.5V270 V280 Y294 L298V270-C300 HydrophobicContact CG2-CB 4.14Å; V280-C300 PolarHBondContact O-SG 3.06Å; V280-C300 VanDerWaalsContact O-SG 3.4Å; Y294-C300 HydrophobicContact CD1-CB 4.09Å; Y294-C300 PolarHBondContact O-N 3.11Å; L298-C300 HydrophobicContact CB-CB 3.93Å; L298-C300 PolarHBondContact O-N 3.08Å
301P97.3Very high92.4Very high25 Ų2552.6 Ų52.616%0.16227%0.273CS..  trans-59.9156172.3-18.328.7000112.1L47 K48 I281 A282L47-P301 HydrophobicContact CD2-CB 4.31Å; L47-P301 HydrophobicContact CD2-CG 4.36Å; L47-P301 HydrophobicContact CG-CB 3.87Å; L47-P301 HydrophobicContact CG-CG 4.04Å; L47-P301 WeakPolarHBondContact O-CG 3.07Å; K48-P301 VanDerWaalsContact O-CA 3.27Å; K48-P301 WeakPolarHBondContact O-CA 3.45Å; I281-P301 WeakPolarHBondContact CA-O 3.42Å; I281-P301 HydrophobicContact CG1-CB 4.4Å; A282-P301 PolarHBondContact N-O 3.32Å
302Y97.8Very high91.3Very high27 Ų2759.3 Ų59.311%0.10630%0.298CS..EExtended strand (participates in β ladder)trans-141.7152.4178.760.2-92.9000112.5K48 A49 G50 A282 V285 K291 Y294 T304K48-Y302 WeakPolarHBondContact O-CD1 3.23Å; K48-Y302 PolarHBondContact O-N 3.36Å; A49-Y302 WeakPolarHBondContact CA-O 3.28Å; A49-Y302 HydrophobicContact CB-CE2 3.89Å; G50-Y302 PolarHBondContact N-O 3.02Å; A282-Y302 CarbonylContact O-C 3.57Å; A282-Y302 VanDerWaalsContact O-CA 3.27Å; A282-Y302 WeakPolarHBondContact O-CA 3.42Å; V285-Y302 HydrophobicContact CB-CD2 3.94Å; V285-Y302 HydrophobicContact CB-CG 4.1Å; V285-Y302 HydrophobicContact CG1-CD2 4.47Å; V285-Y302 HydrophobicContact CG2-CG 4.29Å; K291-Y302 HydrophobicContact CB-CE1 4.26Å; K291-Y302 HydrophobicContact CB-CE2 4.22Å; K291-Y302 HydrophobicContact CD-CE2 4.05Å; K291-Y302 HydrophobicContact CG-CD2 4.38Å; K291-Y302 HydrophobicContact CG-CE2 3.65Å; Y294-Y302 HydrophobicContact CG-CD1 4.46Å; Y302-T304 HydrophobicContact CD2-CG2 4.38Å; Y302-T304 HydrophobicContact CE2-CG2 4.03Å
303L98.1Very high90.5Very high3 Ų358.5 Ų58.52%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-91.4138.5165.7-55.9-177.5000109.5G50 H52 L77 E79 L259 I281 A282 W283 T284 V285G50-L303 CarbonylContact O-C 3.39Å; G50-L303 VanDerWaalsContact O-CA 3.32Å; G50-L303 WeakPolarHBondContact O-CA 3.45Å; H52-L303 HydrophobicContact CB-CB 4.06Å; L77-L303 HydrophobicContact CD1-CD2 3.65Å; E79-L303 HydrophobicContact CB-CD1 3.87Å; E79-L303 HydrophobicContact CB-CD2 4.04Å; E79-L303 HydrophobicContact CG-CD1 3.83Å; L259-L303 HydrophobicContact CD2-CD1 4.18Å; I281-L303 HydrophobicContact CG2-CD2 4.26Å; I281-L303 HydrophobicContact CG2-CG 4.05Å; A282-L303 PolarHBondContact O-N 2.89Å; W283-L303 HydrophobicContact CB-CB 3.99Å; W283-L303 HydrophobicContact CB-CD1 4.05Å; W283-L303 HydrophobicContact CB-CG 4.28Å; T284-L303 CarbonylContact C-O 3.56Å; T284-L303 WeakPolarHBondContact CA-O 3.43Å; V285-L303 PolarHBondContact N-O 2.94Å
304T97.9Very high89.4Confident1 Ų154.9 Ų54.91%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-136.6147.3179.8179.30000110.5G50 H52 L55 V285 N286 K291 Y302 T306 M307G50-T304 PolarHBondContact O-N 2.76Å; H52-T304 WeakPolarHBondContact CB-O 3.12Å; H52-T304 PolarHBondContact N-O 2.75Å; L55-T304 HydrophobicContact CD2-CG2 4.16Å; L55-T304 WeakPolarHBondContact CD2-O 3.17Å; V285-T304 VanDerWaalsContact O-CB 3.26Å; V285-T304 WeakPolarHBondContact O-CB 3.2Å; V285-T304 PolarHBondContact O-OG1 3.25Å; V285-T304 VanDerWaalsContact O-OG1 3.08Å; N286-T304 PolarHBondContact OD1-OG1 3.06Å; K291-T304 WeakPolarHBondContact CE-OG1 3.44Å; K291-T304 PolarHBondContact NZ-OG1 3.04Å; Y302-T304 HydrophobicContact CD2-CG2 4.38Å; Y302-T304 HydrophobicContact CE2-CG2 4.03Å; T304-T306 VanDerWaalsContact C-N 3.3Å; T304-T306 VanDerWaalsContact CG2-O 3.29Å; T304-T306 WeakPolarHBondContact CG2-O 3.47Å; T304-T306 PolarHBondContact OG1-N 3.19Å; T304-T306 VanDerWaalsContact OG1-N 3.15Å; T304-T306 PolarHBondContact OG1-O 2.86Å; T304-M307 HydrophobicContact CG2-CG 4.27Å
305D97.2Very high88.4Confident20 Ų2060.6 Ų60.611%0.10731%0.305CS..SBendtrans-83.6-10.1172.7-57.1-44.2000112.3H52 L55 S56 L57 T284 N286H52-D305 IonicContact CE1-OD1 3.65Å; H52-D305 IonicContact CG-OD1 3.25Å; H52-D305 IonicContact ND1-OD1 3.7Å; H52-D305 PolarHBondContact ND1-OD1 3.48Å; L55-D305 CarbonylContact C-O 3.57Å; L55-D305 WeakPolarHBondContact CA-O 3.35Å; L55-D305 WeakPolarHBondContact CB-O 3.49Å; S56-D305 PolarHBondContact N-O 2.99Å; S56-D305 PolarHBondContact OG-OD1 2.86Å; L57-D305 HydrophobicContact CB-CB 4.06Å; L57-D305 WeakPolarHBondContact CB-O 3.35Å; L57-D305 HydrophobicContact CD1-CB 3.74Å; L57-D305 HydrophobicContact CG-CB 3.53Å; L57-D305 PolarHBondContact N-O 3.1Å; T284-D305 WeakPolarHBondContact CG2-OD1 3.49Å; T284-D305 WeakPolarHBondContact CG2-OD2 3.4Å; N286-D305 PolarHBondContact ND2-OD2 3.39Å; N286-D305 WeakPolarHBondContact OD1-CB 3.45Å; N286-D305 PolarHBondContact OD1-N 2.68Å; N286-D305 PolarHBondContact OD1-OD2 3.35Å
306T96.1Very high87.6Confident30 Ų3063.5 Ų63.518%0.18431%0.313CS..  trans-149.5152.9-176.2-173.20000114.1L57 D58 K291 T304L57-T306 HydrophobicContact CD1-CG2 4.11Å; D58-T306 WeakPolarHBondContact OD2-CA 3.25Å; D58-T306 WeakPolarHBondContact OD2-CB 3.31Å; D58-T306 PolarHBondContact OD2-OG1 2.93Å; K291-T306 PolarHBondContact NZ-O 2.98Å; T304-T306 VanDerWaalsContact C-N 3.3Å; T304-T306 VanDerWaalsContact CG2-O 3.29Å; T304-T306 WeakPolarHBondContact CG2-O 3.47Å; T304-T306 PolarHBondContact OG1-N 3.19Å; T304-T306 VanDerWaalsContact OG1-N 3.15Å; T304-T306 PolarHBondContact OG1-O 2.86Å
307M93Very high86.6Confident40 Ų4063 Ų6320%0.19730%0.304CS..  trans-125.5152.4173.6-63.1-175.481.600110.9A49 L55 D58 L73 A75 T304 N309 A310A49-M307 HydrophobicContact CB-CE 4.42Å; L55-M307 HydrophobicContact CD1-CG 4.1Å; L55-M307 HydrophobicContact CD1-SD 4.12Å; L55-M307 HydrophobicContact CD2-CG 3.78Å; L55-M307 HydrophobicContact CD2-SD 4.29Å; D58-M307 PolarHBondContact OD2-N 2.99Å; L73-M307 HydrophobicContact CB-SD 4.03Å; L73-M307 HydrophobicContact CD1-CB 4.49Å; L73-M307 WeakPolarHBondContact O-CE 3.22Å; A75-M307 HydrophobicContact CB-SD 3.96Å; T304-M307 HydrophobicContact CG2-CG 4.27Å; M307-N309 PolarHBondContact O-N 3.16Å; M307-N309 VanDerWaalsContact O-N 3.13Å; M307-A310 WeakPolarHBondContact O-CB 3.36Å; M307-A310 PolarHBondContact O-N 2.68Å
308E84Confident85.3Confident151 Ų15162.2 Ų62.271%0.70630%0.302SS*.THydrogen-bonded Turntrans-56-35.6-175.6-68.8-175.2165.300113.2A310E308-A310 VanDerWaalsContact C-N 3.3Å; E308-A310 PolarHBondContact O-N 2.72Å
309N80.6Confident83.6Confident74 Ų7468 Ų6840%0.39633%0.329SS..THydrogen-bonded Turntrans-81.8-3.9-178-65.5-25.2000114.1L73 M307 K311 R312L73-N309 HydrophobicContact CD2-CB 4.15Å; M307-N309 PolarHBondContact O-N 3.16Å; M307-N309 VanDerWaalsContact O-N 3.13Å; N309-K311 PolarHBondContact O-N 3.12Å; N309-R312 PolarHBondContact O-N 3.25Å; N309-R312 PolarHBondContact OD1-NH2 3.3Å
310A75.8Confident81.7Confident0 Ų068.2 Ų68.20%033%0.333CS..Hα-helixtrans-67-34.4-174.500000113.7D58 F69 L73 M307 E308 R312 R313 N314D58-A310 HydrophobicContact CB-CB 3.9Å; D58-A310 WeakPolarHBondContact OD2-CB 3.5Å; F69-A310 HydrophobicContact CE1-CB 4.35Å; F69-A310 HydrophobicContact CZ-CB 4.46Å; L73-A310 HydrophobicContact CD1-CB 3.57Å; M307-A310 WeakPolarHBondContact O-CB 3.36Å; M307-A310 PolarHBondContact O-N 2.68Å; E308-A310 VanDerWaalsContact C-N 3.3Å; E308-A310 PolarHBondContact O-N 2.72Å; A310-R312 PolarHBondContact O-N 2.88Å; A310-R313 PolarHBondContact O-N 3Å; A310-N314 PolarHBondContact O-N 2.76Å
311K74.1Confident79.6Confident162 Ų16272.4 Ų72.470%0.70437%0.367SS*.Hα-helixtrans-58-47.5178.9-69.8-177179.5177.50112.2N309 R313 N314 E315N309-K311 PolarHBondContact O-N 3.12Å; K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 3.1Å; K311-N314 PolarHBondContact O-N 2.63Å; K311-E315 WeakPolarHBondContact O-CG 3.46Å; K311-E315 PolarHBondContact O-N 2.98Å; K311-E315 VanDerWaalsContact O-N 3.1Å
312R74Confident77.1Confident158 Ų15879.8 Ų79.860%0.59640%0.397SS*.Hα-helixtrans-59.9-41.2179.2-69.1-171.4-80.4-179.6-5.6111.7N309 A310 E315 E316N309-R312 PolarHBondContact O-N 3.25Å; N309-R312 PolarHBondContact OD1-NH2 3.3Å; A310-R312 PolarHBondContact O-N 2.88Å; R312-E315 WeakPolarHBondContact O-CB 3.29Å; R312-E315 PolarHBondContact O-N 3.49Å; R312-E316 PolarHBondContact O-N 2.97Å
313R76.3Confident74.3Confident100 Ų10085.7 Ų85.738%0.37743%0.43SS..Hα-helixtrans-69-40.4178.7-164.774.9175.9149.9-2.9112.6F69 L73 A310 K311 E315 E316 L317F69-R313 HydrophobicContact CD2-CG 4.23Å; F69-R313 HydrophobicContact CE2-CB 4.01Å; F69-R313 HydrophobicContact CE2-CG 3.52Å; F69-R313 HydrophobicContact CZ-CB 4.08Å; F69-R313 HydrophobicContact CZ-CG 4.06Å; L73-R313 HydrophobicContact CD2-CB 4.08Å; L73-R313 HydrophobicContact CD2-CG 4.4Å; A310-R313 PolarHBondContact O-N 3Å; K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 3.1Å; R313-E315 VanDerWaalsContact C-N 3.26Å; R313-E315 PolarHBondContact O-N 3.27Å; R313-E316 WeakPolarHBondContact CD-OE2 3.42Å; R313-E316 IonicContact CZ-OE2 3.74Å; R313-E316 IonicContact NH1-OE2 2.78Å; R313-E316 PolarHBondContact NH1-OE2 3.24Å; R313-E316 WeakPolarHBondContact O-CB 3.31Å; R313-E316 PolarHBondContact O-N 2.97Å; R313-E316 VanDerWaalsContact O-N 3.16Å; R313-L317 PolarHBondContact O-N 2.75Å
314N73.7Confident71.5Confident31 Ų3192.5 Ų92.517%0.16647%0.472CS..Hα-helixtrans-65.1-31.1176.8-83.2-26.3000112.4D58 A310 K311 S318D58-N314 PolarHBondContact O-ND2 2.53Å; D58-N314 PolarHBondContact O-OD1 3.25Å; A310-N314 PolarHBondContact O-N 2.76Å; K311-N314 PolarHBondContact O-N 2.63Å; N314-S318 WeakPolarHBondContact O-CB 3.43Å; N314-S318 PolarHBondContact O-N 3.23Å; N314-S318 PolarHBondContact O-OG 3.17Å
315E75.1Confident68.5Low126 Ų12697.9 Ų97.959%0.58951%0.509SS*.Hα-helixtrans-66.9-40.7170.9-69.9167.2-173.400111.9K311 R312 R313 S318 Q319K311-E315 WeakPolarHBondContact O-CG 3.46Å; K311-E315 PolarHBondContact O-N 2.98Å; K311-E315 VanDerWaalsContact O-N 3.1Å; R312-E315 WeakPolarHBondContact O-CB 3.29Å; R312-E315 PolarHBondContact O-N 3.49Å; R313-E315 VanDerWaalsContact C-N 3.26Å; R313-E315 PolarHBondContact O-N 3.27Å; E315-S318 PolarHBondContact O-N 3.16Å; E315-Q319 WeakPolarHBondContact O-CG 3.3Å; E315-Q319 PolarHBondContact O-N 3.16Å
316E75Confident65.6Low106 Ų106102.3 Ų102.350%0.49554%0.541SS..Hα-helixtrans-63.5-43.8174.9-68.2171.2-18000112.4R312 R313 S318 Q319R312-E316 PolarHBondContact O-N 2.97Å; R313-E316 WeakPolarHBondContact CD-OE2 3.42Å; R313-E316 IonicContact CZ-OE2 3.74Å; R313-E316 IonicContact NH1-OE2 2.78Å; R313-E316 PolarHBondContact NH1-OE2 3.24Å; R313-E316 WeakPolarHBondContact O-CB 3.31Å; R313-E316 PolarHBondContact O-N 2.97Å; R313-E316 VanDerWaalsContact O-N 3.16Å; E316-S318 PolarHBondContact O-N 3.05Å; E316-Q319 PolarHBondContact O-N 3.43Å
317L72.2Confident63Low72 Ų72108 Ų10838%0.37758%0.575SS.*Hα-helixtrans-66.1-26.9177.8-72.9172.3000113.2F69 F131 R313F69-L317 HydrophobicContact CD2-CD1 3.91Å; F69-L317 HydrophobicContact CE2-CD1 3.66Å; F131-L317 HydrophobicContact CE1-CD1 4.36Å; F131-L317 HydrophobicContact CZ-CD1 4.17Å; R313-L317 PolarHBondContact O-N 2.75Å
318S67.4Low60.3Low64 Ų64111.8 Ų111.845%0.44861%0.606SS.*THydrogen-bonded Turntrans-86-9-179.5-55.40000112.8N127 N314 E315 E316N127-S318 PolarHBondContact ND2-OG 3.05Å; N314-S318 WeakPolarHBondContact O-CB 3.43Å; N314-S318 PolarHBondContact O-N 3.23Å; N314-S318 PolarHBondContact O-OG 3.17Å; E315-S318 PolarHBondContact O-N 3.16Å; E316-S318 PolarHBondContact O-N 3.05Å
319Q60.5Low58.3Low124 Ų124110 Ų11058%0.57961%0.61SS**SBendtrans-79.1130.8174-73.9175.819.300109.6E315 E316 A321E315-Q319 WeakPolarHBondContact O-CG 3.3Å; E315-Q319 PolarHBondContact O-N 3.16Å; E316-Q319 PolarHBondContact O-N 3.43Å; Q319-A321 PolarHBondContact O-N 2.83Å
320P53.1Low56.3Low115 Ų115112.8 Ų112.875%0.74763%0.634SS**  trans-57.4134.5171.424.6-32.1000108.4K322P320-K322 PolarHBondContact O-N 2.69Å
321A53.4Low54.7Low91 Ų91121.8 Ų121.875%0.75268%0.676SS**  trans-48.5112174.500000108Q319 D323Q319-A321 PolarHBondContact O-N 2.83Å; A321-D323 PolarHBondContact O-N 2.83Å
322K43.3Very low53.5Low181 Ų181122.4 Ų122.479%0.78769%0.687SS**  trans-64.3109.9171.8-75.6-178180175.80105.7P320 T324P320-K322 PolarHBondContact O-N 2.69Å; K322-T324 VanDerWaalsContact C-N 3.35Å; K322-T324 PolarHBondContact O-N 3.4Å
323D40.3Very low52Low150 Ų150122.2 Ų122.280%0.80273%0.734SS**  trans-52.1100.8168.5-72.2-38.9000108.4A321 C325A321-D323 PolarHBondContact O-N 2.83Å; D323-C325 HydrophobicContact CB-CB 4.46Å; D323-C325 PolarHBondContact O-N 3.3Å
324T38.9Very low50.8Low146 Ų146123.3 Ų123.390%0.89675%0.752SS**  trans-72.276.7161.545.30000107.1K322K322-T324 VanDerWaalsContact C-N 3.35Å; K322-T324 PolarHBondContact O-N 3.4Å
325C34.1Very low49.6Very low115 Ų115128.2 Ų128.278%0.77778%0.782SS**  trans-137.173.7175.2-159.90000109.1D323D323-C325 HydrophobicContact CB-CB 4.46Å; D323-C325 PolarHBondContact O-N 3.3Å
326S36.3Very low48.2Very low112 Ų112128.3 Ų128.378%0.78379%0.793SS**  trans-164.867.7164.665.40000112.6
327V41.4Very low46.6Very low150 Ų150129.6 Ų129.691%0.90981%0.811SS**  trans-146.371.5156.9-1630000109.7
328S38Very low45.1Very low120 Ų120133.2 Ų133.284%0.83984%0.838SS**  trans-166.877160.762.90000111.5
329S41.6Very low43.6Very low112 Ų112137.8 Ų137.878%0.78386%0.864SS**  trans-169.3107.1155.554.70000109.4
330C39.1Very low42.4Very low134 Ų134138.8 Ų138.891%0.90588%0.884SS**  trans152.463.7146.5-800000110.7
331E40.7Very low41.5Very low188 Ų188140.6 Ų140.688%0.87990%0.895SS**  trans-108.5107.4147.9-78.9-175159.600106.5
332N48.7Very low40.5Very low176 Ų176144.8 Ų144.894%0.94191%0.907SS**  trans-179.991.6153.5-91.6-17.5000107.2
333G44.4Very low40.3Very low153 Ų153141.5 Ų141.5100%1.57792%0.917SS**  trans-131.40160.900000108

Retrieved 333 of 333 residues in 194.2 ms (Link to these results)

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