G4LWL4_SCHMA Loading...

Rnf25 protein, putative

AlphaFold DB , UniProt , Accession G4LWL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 215 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
1M57.1Low84.8Confident131 Ų13174.3 Ų74.365%0.64538%0.376SS*.  01360-85176.9-12100106.8Q6 F24M1-Q6 HydrophobicContact CB-CG 3.84Å; M1-Q6 HydrophobicContact SD-CG 4.13Å; M1-F24 HydrophobicContact CE-CD1 4.12Å; M1-F24 HydrophobicContact CE-CD2 4.3Å; M1-F24 HydrophobicContact CE-CE1 3.51Å; M1-F24 HydrophobicContact CE-CE2 3.72Å; M1-F24 HydrophobicContact CE-CG 4.48Å; M1-F24 HydrophobicContact CE-CZ 3.28Å; M1-F24 HydrophobicContact CG-CE1 4.15Å; M1-F24 HydrophobicContact SD-CD1 4.45Å; M1-F24 HydrophobicContact SD-CE1 3.43Å; M1-F24 WeakPolarHBondContact SD-CE1 3.38Å; M1-F24 HydrophobicContact SD-CE2 4.38Å; M1-F24 HydrophobicContact SD-CZ 3.38Å; M1-F24 WeakPolarHBondContact SD-CZ 3.43Å
2D69.9Low85.5Confident86 Ų8668.1 Ų68.146%0.4635%0.345SS..  trans-63138.9171.7-65-47.7000109.5I4 I5D2-I4 PolarHBondContact O-N 3.08Å; D2-I5 PolarHBondContact O-N 3.02Å; D2-I5 VanDerWaalsContact O-N 3.08Å
3N82.9Confident86Confident118 Ų11871.8 Ų71.863%0.63136%0.36SS*.Hα-helixtrans-50.4-34.6-176.5-73.7-5.1000112.2I5 Q6 D7N3-I5 PolarHBondContact O-N 3.05Å; N3-Q6 PolarHBondContact O-N 2.85Å; N3-Q6 VanDerWaalsContact O-N 3.17Å; N3-D7 PolarHBondContact O-N 2.85Å
4I87.2Confident86.5Confident68 Ų6875.6 Ų75.635%0.34938%0.376SS..Hα-helixtrans-57.7-47.4-179.7-60.3174000112.5D2 Q6 D7 E8 Y61 P62 P99D2-I4 PolarHBondContact O-N 3.08Å; I4-Q6 VanDerWaalsContact C-N 3.3Å; I4-Q6 PolarHBondContact O-N 3.17Å; I4-D7 PolarHBondContact O-N 2.87Å; I4-E8 PolarHBondContact O-N 3.08Å; I4-Y61 HydrophobicContact CG2-CE1 4.48Å; I4-P62 HydrophobicContact CD1-CG 4.24Å; I4-P62 HydrophobicContact CG2-CG 4.49Å; I4-P99 HydrophobicContact CG2-CB 4Å; I4-P99 HydrophobicContact CG2-CG 3.57Å
5I86.7Confident86.7Confident10 Ų1076.5 Ų76.55%0.05138%0.38CS..Hα-helixtrans-66-39.9-179.5-66.7167.5000109.5D2 N3 D7 E8 L9 F57 Y61D2-I5 PolarHBondContact O-N 3.02Å; D2-I5 VanDerWaalsContact O-N 3.08Å; N3-I5 PolarHBondContact O-N 3.05Å; I5-D7 VanDerWaalsContact C-N 3.34Å; I5-E8 PolarHBondContact O-N 2.92Å; I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.18Å; I5-L9 WeakPolarHBondContact O-CB 3.39Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.38Å; I5-F57 HydrophobicContact CD1-CD2 4.13Å; I5-F57 HydrophobicContact CD1-CE2 3.93Å; I5-F57 HydrophobicContact CG1-CE2 4.14Å; I5-F57 HydrophobicContact CG2-CE2 3.9Å; I5-F57 HydrophobicContact CG2-CZ 4.36Å; I5-Y61 HydrophobicContact CD1-CD1 4.15Å; I5-Y61 HydrophobicContact CG1-CD1 3.64Å; I5-Y61 HydrophobicContact CG1-CE1 4.1Å
6Q88Confident86.9Confident92 Ų9272.6 Ų72.643%0.4336%0.36SS..Hα-helixtrans-64.8-41.3178.9-62.4-171.5-56.900111.3M1 N3 I4 L9 Q10M1-Q6 HydrophobicContact CB-CG 3.84Å; M1-Q6 HydrophobicContact SD-CG 4.13Å; N3-Q6 PolarHBondContact O-N 2.85Å; N3-Q6 VanDerWaalsContact O-N 3.17Å; I4-Q6 VanDerWaalsContact C-N 3.3Å; I4-Q6 PolarHBondContact O-N 3.17Å; Q6-L9 PolarHBondContact O-N 3.46Å; Q6-Q10 VanDerWaalsContact O-CB 3.29Å; Q6-Q10 WeakPolarHBondContact O-CB 3.18Å; Q6-Q10 PolarHBondContact O-N 3.07Å
7D91.8Very high86.9Confident98 Ų9873.9 Ų73.952%0.52438%0.375SS..Hα-helixtrans-62.9-44.8177.9-63.9-21000111.3N3 I4 I5 Q10 L11N3-D7 PolarHBondContact O-N 2.85Å; I4-D7 PolarHBondContact O-N 2.87Å; I5-D7 VanDerWaalsContact C-N 3.34Å; D7-Q10 PolarHBondContact O-N 3.35Å; D7-L11 PolarHBondContact O-N 2.97Å
8E92.7Very high86.9Confident17 Ų1773.9 Ų73.98%0.07940%0.397CS..Hα-helixtrans-67.1-40.5176.3-77.2-168.7104.800113.2I4 I5 Q10 L11 L12 Y61 P99 V100 I101I4-E8 PolarHBondContact O-N 3.08Å; I5-E8 PolarHBondContact O-N 2.92Å; E8-Q10 VanDerWaalsContact C-N 3.31Å; E8-L11 PolarHBondContact O-N 3.39Å; E8-L12 PolarHBondContact O-N 2.95Å; E8-Y61 VanDerWaalsContact CD-OH 3.25Å; E8-Y61 PolarHBondContact OE1-OH 3.38Å; E8-Y61 WeakPolarHBondContact OE2-CE1 3.37Å; E8-Y61 PolarHBondContact OE2-OH 3.17Å; E8-P99 HydrophobicContact CG-CB 4.02Å; E8-P99 WeakPolarHBondContact OE1-CB 3.33Å; E8-P99 WeakPolarHBondContact OE2-CB 3.42Å; E8-V100 PolarHBondContact OE1-N 3.47Å; E8-I101 HydrophobicContact CB-CB 4.43Å; E8-I101 HydrophobicContact CB-CD1 4.39Å; E8-I101 WeakPolarHBondContact OE1-CB 3.34Å; E8-I101 PolarHBondContact OE1-N 3.41Å
9L91.3Very high87.1Confident21 Ų2172.5 Ų72.511%0.1139%0.388CS..Hα-helixtrans-66.4-36176.3-70178.9000111.7I5 Q6 L12 H13 F20 V22 F24 V31I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.18Å; I5-L9 WeakPolarHBondContact O-CB 3.39Å; I5-L9 WeakPolarHBondContact O-CG 3.43Å; I5-L9 PolarHBondContact O-N 3.38Å; Q6-L9 PolarHBondContact O-N 3.46Å; L9-L12 HydrophobicContact CD2-CD1 4.49Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-H13 WeakPolarHBondContact O-CB 3.19Å; L9-H13 PolarHBondContact O-N 2.92Å; L9-F20 HydrophobicContact CD2-CE2 4.09Å; L9-V22 HydrophobicContact CD1-CG1 4.26Å; L9-V22 HydrophobicContact CD1-CG2 4.22Å; L9-V22 HydrophobicContact CD2-CG2 3.87Å; L9-F24 HydrophobicContact CD1-CZ 4.29Å; L9-V31 HydrophobicContact CD2-CG2 3.65Å
10Q92.7Very high87.4Confident108 Ų10870.7 Ų70.751%0.50538%0.376SS..Hα-helixtrans-64.8-46.6173.8-179.2176.5-16.800110.7Q6 D7 E8 L12 H13 E14Q6-Q10 VanDerWaalsContact O-CB 3.29Å; Q6-Q10 WeakPolarHBondContact O-CB 3.18Å; Q6-Q10 PolarHBondContact O-N 3.07Å; D7-Q10 PolarHBondContact O-N 3.35Å; E8-Q10 VanDerWaalsContact C-N 3.31Å; Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.4Å; Q10-H13 WeakPolarHBondContact O-CB 3.29Å; Q10-H13 PolarHBondContact O-N 3.2Å; Q10-H13 VanDerWaalsContact O-N 3.08Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.44Å; Q10-E14 PolarHBondContact NE2-OE1 3.2Å; Q10-E14 WeakPolarHBondContact O-CG 3.44Å; Q10-E14 PolarHBondContact O-N 2.95Å
11L93.1Very high87.7Confident68 Ų6875.2 Ų75.236%0.35639%0.392SS..Hα-helixtrans-57.8-45.5175.6179.963.3000111.6D7 E8 H13 E14 M15 F102D7-L11 PolarHBondContact O-N 2.97Å; E8-L11 PolarHBondContact O-N 3.39Å; L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 PolarHBondContact O-N 2.84Å; L11-E14 PolarHBondContact O-N 2.95Å; L11-M15 HydrophobicContact CD1-CG 4.09Å; L11-M15 HydrophobicContact CD1-SD 3.79Å; L11-M15 HydrophobicContact CG-SD 4.18Å; L11-M15 WeakPolarHBondContact O-CB 3.42Å; L11-M15 WeakPolarHBondContact O-CG 3.44Å; L11-M15 PolarHBondContact O-N 2.85Å; L11-F102 HydrophobicContact CD2-CB 4.12Å; L11-F102 HydrophobicContact CD2-CD1 4.47Å; L11-F102 HydrophobicContact CD2-CD2 3.9Å; L11-F102 HydrophobicContact CD2-CG 3.87Å; L11-F102 HydrophobicContact CG-CD2 4.1Å
12L92.6Very high89.5Confident0 Ų071.2 Ų71.20%038%0.375CS..Hα-helixtrans-60.2-40174.7-78.8-176.8000112.4E8 L9 Q10 F16 F20 V31 F33 I101 F102 V105E8-L12 PolarHBondContact O-N 2.95Å; L9-L12 HydrophobicContact CD2-CD1 4.49Å; L9-L12 PolarHBondContact O-N 2.89Å; Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.4Å; L12-F16 HydrophobicContact CD2-CD2 3.89Å; L12-F16 HydrophobicContact CD2-CE2 4.15Å; L12-F16 WeakPolarHBondContact O-CA 3.38Å; L12-F16 PolarHBondContact O-N 2.88Å; L12-F20 HydrophobicContact CB-CD1 4.22Å; L12-F20 HydrophobicContact CB-CE1 3.68Å; L12-F20 HydrophobicContact CB-CZ 3.92Å; L12-V31 HydrophobicContact CD1-CG1 4.41Å; L12-F33 HydrophobicContact CD2-CE2 4.38Å; L12-I101 HydrophobicContact CD1-CG2 3.34Å; L12-I101 HydrophobicContact CG-CG2 4.15Å; L12-F102 HydrophobicContact CD2-CD2 4.08Å; L12-V105 HydrophobicContact CD2-CB 4.1Å; L12-V105 HydrophobicContact CD2-CG1 4.09Å; L12-V105 HydrophobicContact CD2-CG2 3.97Å
13H91.7Very high90.5Very high117 Ų11772.1 Ų72.154%0.54238%0.38SS..Hα-helixtrans-64.6-41.3178.1-173.773.3000112.3L9 Q10 L11 P17 F20L9-H13 WeakPolarHBondContact O-CB 3.19Å; L9-H13 PolarHBondContact O-N 2.92Å; Q10-H13 WeakPolarHBondContact O-CB 3.29Å; Q10-H13 PolarHBondContact O-N 3.2Å; Q10-H13 VanDerWaalsContact O-N 3.08Å; L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 PolarHBondContact O-N 2.84Å; H13-P17 WeakPolarHBondContact O-CA 3.44Å; H13-F20 HydrophobicContact CB-CE1 4.18Å; H13-F20 HydrophobicContact CB-CZ 4.06Å
14E92.7Very high90.8Very high124 Ų12471.3 Ų71.358%0.57937%0.371SS*.Hα-helixtrans-69.3-39178.6-70.6175.4-171.600111.9Q10 L11Q10-E14 WeakPolarHBondContact CG-OE1 3.44Å; Q10-E14 PolarHBondContact NE2-OE1 3.2Å; Q10-E14 WeakPolarHBondContact O-CG 3.44Å; Q10-E14 PolarHBondContact O-N 2.95Å; L11-E14 PolarHBondContact O-N 2.95Å
15M90.7Very high90.7Very high90 Ų9073 Ų7344%0.44338%0.381SS..Hα-helixtrans-83.6-33.8-177.5-68-165.858.300113.8L11 F102L11-M15 HydrophobicContact CD1-CG 4.09Å; L11-M15 HydrophobicContact CD1-SD 3.79Å; L11-M15 HydrophobicContact CG-SD 4.18Å; L11-M15 WeakPolarHBondContact O-CB 3.42Å; L11-M15 WeakPolarHBondContact O-CG 3.44Å; L11-M15 PolarHBondContact O-N 2.85Å; M15-F102 HydrophobicContact CB-CE2 4.44Å; M15-F102 HydrophobicContact CE-CE2 3.51Å; M15-F102 HydrophobicContact CE-CZ 3.4Å; M15-F102 HydrophobicContact CG-CE2 4.35Å; M15-F102 HydrophobicContact SD-CD2 4.09Å; M15-F102 HydrophobicContact SD-CE2 3.15Å; M15-F102 WeakPolarHBondContact SD-CE2 3.36Å; M15-F102 HydrophobicContact SD-CZ 3.45Å; M15-F102 WeakPolarHBondContact SD-CZ 3.37Å
16F89.8Confident90.3Very high14 Ų1477.5 Ų77.56%0.06141%0.413CS..SBendtrans-135.266.6-172.9-50.2-65.7000111.4L12 G18 E19 F33 F102 V105L12-F16 HydrophobicContact CD2-CD2 3.89Å; L12-F16 HydrophobicContact CD2-CE2 4.15Å; L12-F16 WeakPolarHBondContact O-CA 3.38Å; L12-F16 PolarHBondContact O-N 2.88Å; F16-G18 PolarHBondContact O-N 2.88Å; F16-G18 VanDerWaalsContact O-N 3.17Å; F16-E19 HydrophobicContact CB-CB 4.05Å; F16-E19 HydrophobicContact CB-CG 4.16Å; F16-E19 PolarHBondContact O-N 2.88Å; F16-F33 HydrophobicContact CB-CE2 3.68Å; F16-F33 HydrophobicContact CB-CZ 3.75Å; F16-F33 HydrophobicContact CD1-CZ 4.25Å; F16-F33 AromaticContact CD2-CE2 3.71Å; F16-F33 HydrophobicContact CD2-CE2 3.71Å; F16-F33 AromaticContact CD2-CZ 3.85Å; F16-F33 HydrophobicContact CD2-CZ 3.85Å; F16-F33 AromaticContact CG-CE2 3.83Å; F16-F33 HydrophobicContact CG-CE2 3.83Å; F16-F33 AromaticContact CG-CZ 3.68Å; F16-F33 HydrophobicContact CG-CZ 3.68Å; F16-F102 HydrophobicContact CE2-CD2 4.37Å; F16-F102 AromaticContact CE2-CE2 3.75Å; F16-F102 HydrophobicContact CE2-CE2 3.75Å; F16-F102 HydrophobicContact CZ-CE2 4.26Å; F16-V105 HydrophobicContact CD2-CG1 4.13Å; F16-V105 HydrophobicContact CE2-CG1 3.79Å; F16-V105 HydrophobicContact CZ-CG1 4.42Å
17P86.5Confident90.2Very high94 Ų9479.1 Ų79.161%0.6143%0.425SS*.THydrogen-bonded Turntrans-60.8122.9-174.424.9-34.5000111.4H13 E19H13-P17 WeakPolarHBondContact O-CA 3.44Å; P17-E19 VanDerWaalsContact C-N 3.28Å; P17-E19 PolarHBondContact O-N 2.98Å
18G87.3Confident90.1Very high74 Ų7477.9 Ų77.976%0.76342%0.416SS*.THydrogen-bonded Turntrans77.44.2176.300000115.5F16F16-G18 PolarHBondContact O-N 2.88Å; F16-G18 VanDerWaalsContact O-N 3.17Å
19E89.9Confident90Very high48 Ų4877.5 Ų77.522%0.22442%0.415CS..SBendtrans-86.3-8.1179.9-58.9-158.6155.300113.6F16 P17 F33 L34F16-E19 HydrophobicContact CB-CB 4.05Å; F16-E19 HydrophobicContact CB-CG 4.16Å; F16-E19 PolarHBondContact O-N 2.88Å; P17-E19 VanDerWaalsContact C-N 3.28Å; P17-E19 PolarHBondContact O-N 2.98Å; E19-F33 HydrophobicContact CB-CE1 4.32Å; E19-F33 HydrophobicContact CB-CE2 4.04Å; E19-F33 HydrophobicContact CB-CZ 3.8Å; E19-F33 WeakPolarHBondContact OE2-CZ 3.5Å; E19-L34 PolarHBondContact O-N 3.48Å
20F93.4Very high90.2Very high35 Ų3577.4 Ų77.415%0.15442%0.415CS..EExtended strand (participates in β ladder)trans-135.6161.6179.173.4-80.9000114.3L9 L12 H13 V22 V31 T32 F33L9-F20 HydrophobicContact CD2-CE2 4.09Å; L12-F20 HydrophobicContact CB-CD1 4.22Å; L12-F20 HydrophobicContact CB-CE1 3.68Å; L12-F20 HydrophobicContact CB-CZ 3.92Å; H13-F20 HydrophobicContact CB-CE1 4.18Å; H13-F20 HydrophobicContact CB-CZ 4.06Å; F20-V22 HydrophobicContact CD2-CG2 3.7Å; F20-V22 HydrophobicContact CE2-CG2 3.55Å; F20-V31 HydrophobicContact CB-CG1 4.43Å; F20-V31 HydrophobicContact CD2-CG1 4.11Å; F20-T32 CarbonylContact C-O 3.48Å; F20-T32 WeakPolarHBondContact CA-O 3.37Å; F20-T32 WeakPolarHBondContact CB-O 3.44Å; F20-F33 HydrophobicContact CB-CB 4.16Å; F20-F33 HydrophobicContact CB-CD2 3.7Å; F20-F33 HydrophobicContact CB-CE2 4.47Å; F20-F33 HydrophobicContact CB-CG 4.26Å; F20-F33 HydrophobicContact CD1-CD2 4.39Å; F20-F33 HydrophobicContact CG-CD2 4.37Å
21K94.5Very high90.3Very high166 Ų16672.2 Ų72.272%0.72239%0.391SS*.EExtended strand (participates in β ladder)trans-127148.7172.5-62.4178.1-175.2176.30108.9V31 T32K21-V31 WeakPolarHBondContact O-CA 3.48Å; K21-T32 PolarHBondContact N-O 3.08Å; K21-T32 PolarHBondContact O-N 2.96Å
22V93.2Very high90.5Very high47 Ų4771 Ų7129%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-121.3127.5176.1-167.90000108.3L9 F20 F24 C29 T30 V31L9-V22 HydrophobicContact CD1-CG1 4.26Å; L9-V22 HydrophobicContact CD1-CG2 4.22Å; L9-V22 HydrophobicContact CD2-CG2 3.87Å; F20-V22 HydrophobicContact CD2-CG2 3.7Å; F20-V22 HydrophobicContact CE2-CG2 3.55Å; V22-F24 HydrophobicContact CB-CE2 4.09Å; V22-F24 HydrophobicContact CB-CZ 4.42Å; V22-F24 HydrophobicContact CG1-CD2 4.05Å; V22-F24 HydrophobicContact CG1-CE1 4.01Å; V22-F24 HydrophobicContact CG1-CE2 3.41Å; V22-F24 VanDerWaalsContact CG1-CE2 3.41Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; V22-C29 VanDerWaalsContact CG1-SG 3.57Å; V22-T30 WeakPolarHBondContact CA-O 3.2Å; V22-V31 HydrophobicContact CG1-CG2 4.34Å; V22-V31 HydrophobicContact CG2-CG2 4.35Å
23D92.9Very high90.7Very high106 Ų10671 Ų7157%0.56739%0.387SS*.EExtended strand (participates in β ladder)trans-114.7129.8173-174.760.1000109.2C29 T30D23-C29 WeakPolarHBondContact O-CA 3.39Å; D23-T30 PolarHBondContact N-O 2.8Å; D23-T30 PolarHBondContact O-N 2.85Å
24F87.3Confident90.9Very high101 Ų10168.7 Ų68.744%0.44338%0.378SS..EExtended strand (participates in β ladder)trans-113.6111.1179.1-65.3-81000109.1M1 L9 V22 C29M1-F24 HydrophobicContact CE-CD1 4.12Å; M1-F24 HydrophobicContact CE-CD2 4.3Å; M1-F24 HydrophobicContact CE-CE1 3.51Å; M1-F24 HydrophobicContact CE-CE2 3.72Å; M1-F24 HydrophobicContact CE-CG 4.48Å; M1-F24 HydrophobicContact CE-CZ 3.28Å; M1-F24 HydrophobicContact CG-CE1 4.15Å; M1-F24 HydrophobicContact SD-CD1 4.45Å; M1-F24 HydrophobicContact SD-CE1 3.43Å; M1-F24 WeakPolarHBondContact SD-CE1 3.38Å; M1-F24 HydrophobicContact SD-CE2 4.38Å; M1-F24 HydrophobicContact SD-CZ 3.38Å; M1-F24 WeakPolarHBondContact SD-CZ 3.43Å; L9-F24 HydrophobicContact CD1-CZ 4.29Å; V22-F24 HydrophobicContact CB-CE2 4.09Å; V22-F24 HydrophobicContact CB-CZ 4.42Å; V22-F24 HydrophobicContact CG1-CD2 4.05Å; V22-F24 HydrophobicContact CG1-CE1 4.01Å; V22-F24 HydrophobicContact CG1-CE2 3.41Å; V22-F24 VanDerWaalsContact CG1-CE2 3.41Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; F24-C29 HydrophobicContact CD1-CB 4.05Å; F24-C29 HydrophobicContact CE1-CB 4.1Å; F24-C29 WeakPolarHBondContact CE1-SG 3.48Å
25D85.3Confident91Very high102 Ų10262.8 Ų62.855%0.54535%0.35SS..EExtended strand (participates in β ladder)trans-98159.8163.2-174.417.7000109.7N27 Q28D25-N27 PolarHBondContact O-N 3.28Å; D25-Q28 PolarHBondContact N-O 3.38Å; D25-Q28 PolarHBondContact O-N 2.5Å; D25-Q28 VanDerWaalsContact O-N 3.08Å; D25-Q28 VanDerWaalsContact O-O 3.09Å
26S78.9Confident91.1Very high105 Ų10558.8 Ų58.873%0.73433%0.331SS*.THydrogen-bonded Turntrans-32.1-40.9179-360000114.9
27N85.3Confident91.1Very high126 Ų12658.4 Ų58.467%0.67433%0.33SS*.THydrogen-bonded Turntrans-131.87.7-175.7-64.7-43.1000114.2D25 P59D25-N27 PolarHBondContact O-N 3.28Å; N27-P59 WeakPolarHBondContact O-CD 3.4Å
28Q89.6Confident90.5Very high73 Ų7354.9 Ų54.934%0.34131%0.31SS..EExtended strand (participates in β ladder)trans-148.7135.1-174.1-176.7165.770.200111.3D25 K56D25-Q28 PolarHBondContact N-O 3.38Å; D25-Q28 PolarHBondContact O-N 2.5Å; D25-Q28 VanDerWaalsContact O-N 3.08Å; D25-Q28 VanDerWaalsContact O-O 3.09Å; Q28-K56 HydrophobicContact CG-CB 4.49Å
29C91Very high89.3Confident9 Ų956.5 Ų56.56%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-102.8133.5167.5-177.80000108.5V22 D23 F24 K56 F57V22-C29 VanDerWaalsContact CG1-SG 3.57Å; D23-C29 WeakPolarHBondContact O-CA 3.39Å; F24-C29 HydrophobicContact CD1-CB 4.05Å; F24-C29 HydrophobicContact CE1-CB 4.1Å; F24-C29 WeakPolarHBondContact CE1-SG 3.48Å; C29-K56 WeakPolarHBondContact O-CA 3.13Å; C29-F57 HydrophobicContact CB-CD2 3.78Å; C29-F57 HydrophobicContact CB-CE2 3.42Å; C29-F57 VanDerWaalsContact CB-CE2 3.42Å; C29-F57 HydrophobicContact CB-CZ 3.93Å; C29-F57 PolarHBondContact N-O 3.26Å; C29-F57 PolarHBondContact O-N 3.42Å; C29-F57 VanDerWaalsContact SG-CE2 3.52Å; C29-F57 VanDerWaalsContact SG-CZ 3.5Å
30T95.1Very high87.5Confident18 Ų1856 Ų5611%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-118.4120.2172.9-56.80000109.3V22 D23 L55 K56V22-T30 WeakPolarHBondContact CA-O 3.2Å; D23-T30 PolarHBondContact N-O 2.8Å; D23-T30 PolarHBondContact O-N 2.85Å; T30-L55 WeakPolarHBondContact CA-O 3.28Å; T30-K56 HydrophobicContact CG2-CG 3.93Å
31V95.4Very high85.4Confident0 Ų065 Ų650%035%0.352CS..EExtended strand (participates in β ladder)trans-100.4118.9168.61800000107.9L9 L12 F20 K21 V22 N54 L55 F57L9-V31 HydrophobicContact CD2-CG2 3.65Å; L12-V31 HydrophobicContact CD1-CG1 4.41Å; F20-V31 HydrophobicContact CB-CG1 4.43Å; F20-V31 HydrophobicContact CD2-CG1 4.11Å; K21-V31 WeakPolarHBondContact O-CA 3.48Å; V22-V31 HydrophobicContact CG1-CG2 4.34Å; V22-V31 HydrophobicContact CG2-CG2 4.35Å; V31-N54 WeakPolarHBondContact O-CA 3.34Å; V31-L55 HydrophobicContact CB-CB 4.3Å; V31-L55 PolarHBondContact N-O 3.2Å; V31-L55 PolarHBondContact O-N 3.12Å; V31-F57 HydrophobicContact CB-CE1 4.38Å; V31-F57 HydrophobicContact CG2-CE1 3.69Å; V31-F57 HydrophobicContact CG2-CZ 3.65Å
32T97.4Very high83.3Confident42 Ų4264.4 Ų64.426%0.25836%0.357SS..EExtended strand (participates in β ladder)trans-106.9111.4172.5-61.20000108.6F20 K21 N52 L53 N54F20-T32 CarbonylContact C-O 3.48Å; F20-T32 WeakPolarHBondContact CA-O 3.37Å; F20-T32 WeakPolarHBondContact CB-O 3.44Å; K21-T32 PolarHBondContact N-O 3.08Å; K21-T32 PolarHBondContact O-N 2.96Å; T32-N52 HydrophobicContact CG2-CB 4.14Å; T32-L53 CarbonylContact C-O 3.54Å; T32-L53 WeakPolarHBondContact CA-O 3.49Å; T32-N54 WeakPolarHBondContact CB-OD1 3.23Å; T32-N54 VanDerWaalsContact CG2-OD1 3.29Å; T32-N54 WeakPolarHBondContact CG2-OD1 3.41Å; T32-N54 PolarHBondContact OG1-OD1 3.41Å
33F96.7Very high81.4Confident0 Ų065.5 Ų65.50%036%0.362CS..EExtended strand (participates in β ladder)trans-107.3128.5180-170.1-76.7000110.2L12 F16 E19 F20 V35 N52 L53 V105L12-F33 HydrophobicContact CD2-CE2 4.38Å; F16-F33 HydrophobicContact CB-CE2 3.68Å; F16-F33 HydrophobicContact CB-CZ 3.75Å; F16-F33 HydrophobicContact CD1-CZ 4.25Å; F16-F33 AromaticContact CD2-CE2 3.71Å; F16-F33 HydrophobicContact CD2-CE2 3.71Å; F16-F33 AromaticContact CD2-CZ 3.85Å; F16-F33 HydrophobicContact CD2-CZ 3.85Å; F16-F33 AromaticContact CG-CE2 3.83Å; F16-F33 HydrophobicContact CG-CE2 3.83Å; F16-F33 AromaticContact CG-CZ 3.68Å; F16-F33 HydrophobicContact CG-CZ 3.68Å; E19-F33 HydrophobicContact CB-CE1 4.32Å; E19-F33 HydrophobicContact CB-CE2 4.04Å; E19-F33 HydrophobicContact CB-CZ 3.8Å; E19-F33 WeakPolarHBondContact OE2-CZ 3.5Å; F20-F33 HydrophobicContact CB-CB 4.16Å; F20-F33 HydrophobicContact CB-CD2 3.7Å; F20-F33 HydrophobicContact CB-CE2 4.47Å; F20-F33 HydrophobicContact CB-CG 4.26Å; F20-F33 HydrophobicContact CD1-CD2 4.39Å; F20-F33 HydrophobicContact CG-CD2 4.37Å; F33-V35 HydrophobicContact CD1-CB 4.48Å; F33-V35 HydrophobicContact CD1-CG2 3.76Å; F33-V35 HydrophobicContact CE1-CG2 4.37Å; F33-V35 PolarHBondContact O-N 3.41Å; F33-N52 WeakPolarHBondContact O-CA 3.44Å; F33-L53 HydrophobicContact CB-CB 4.37Å; F33-L53 PolarHBondContact N-O 3.39Å; F33-L53 PolarHBondContact O-N 2.89Å; F33-V105 HydrophobicContact CB-CG2 4.3Å; F33-V105 HydrophobicContact CD1-CG1 4.06Å; F33-V105 HydrophobicContact CD2-CG1 3.88Å; F33-V105 HydrophobicContact CD2-CG2 3.88Å; F33-V105 HydrophobicContact CE1-CG1 3.77Å; F33-V105 HydrophobicContact CE2-CG1 3.59Å; F33-V105 HydrophobicContact CE2-CG2 4.41Å; F33-V105 HydrophobicContact CG-CG1 4.14Å; F33-V105 HydrophobicContact CG-CG2 3.97Å; F33-V105 HydrophobicContact CZ-CG1 3.54Å
34L95.7Very high79.6Confident69 Ų6962.6 Ų62.636%0.36135%0.35SS..EExtended strand (participates in β ladder)trans-81.197.5172.5175.759.8000109.4E19 T36 K50E19-L34 PolarHBondContact O-N 3.48Å; L34-T36 HydrophobicContact CG-CG2 4.13Å; L34-T36 PolarHBondContact O-N 2.93Å; L34-K50 HydrophobicContact CD1-CB 4.41Å
35V95.6Very high78.7Confident0 Ų062.8 Ų62.80%037%0.369CS..EExtended strand (participates in β ladder)trans-74.7125.1178.9-173.40000109.1F33 K50 F51 L53 C108 R109 I112F33-V35 HydrophobicContact CD1-CB 4.48Å; F33-V35 HydrophobicContact CD1-CG2 3.76Å; F33-V35 HydrophobicContact CE1-CG2 4.37Å; F33-V35 PolarHBondContact O-N 3.41Å; V35-K50 VanDerWaalsContact O-CA 3.25Å; V35-K50 WeakPolarHBondContact O-CA 3.37Å; V35-K50 WeakPolarHBondContact O-CB 3.41Å; V35-F51 HydrophobicContact CB-CD1 4.34Å; V35-F51 HydrophobicContact CB-CD2 3.96Å; V35-F51 HydrophobicContact CB-CE1 4.07Å; V35-F51 HydrophobicContact CB-CE2 3.68Å; V35-F51 HydrophobicContact CB-CG 4.29Å; V35-F51 HydrophobicContact CB-CZ 3.73Å; V35-F51 HydrophobicContact CG1-CE1 3.93Å; V35-F51 HydrophobicContact CG1-CE2 4.07Å; V35-F51 HydrophobicContact CG1-CZ 3.61Å; V35-F51 HydrophobicContact CG2-CD2 3.93Å; V35-F51 HydrophobicContact CG2-CE2 3.48Å; V35-F51 VanDerWaalsContact CG2-CE2 3.48Å; V35-F51 HydrophobicContact CG2-CZ 3.93Å; V35-F51 PolarHBondContact N-O 3.36Å; V35-F51 PolarHBondContact O-N 3.1Å; V35-L53 HydrophobicContact CG2-CB 3.62Å; V35-L53 HydrophobicContact CG2-CD2 4.32Å; V35-C108 HydrophobicContact CG1-CB 3.89Å; V35-C108 HydrophobicContact CG2-CB 3.96Å; V35-R109 HydrophobicContact CG1-CG 3.95Å; V35-I112 HydrophobicContact CG1-CD1 3.75Å; V35-I112 HydrophobicContact CG1-CG1 4.38Å
36T92.6Very high78.5Confident6 Ų662.2 Ų62.24%0.03737%0.367CS..  trans-134.5152.517161.20000109.3L34 G38 K47 K50L34-T36 HydrophobicContact CG-CG2 4.13Å; L34-T36 PolarHBondContact O-N 2.93Å; T36-G38 PolarHBondContact O-N 2.95Å; T36-K47 HydrophobicContact CG2-CD 3.79Å; T36-K47 PolarHBondContact OG1-NZ 3.3Å; T36-K50 HydrophobicContact CG2-CB 4.12Å
37P89.3Confident78.9Confident6 Ų661.4 Ų61.44%0.03935%0.35CS..  trans-54.4138176.2-26.835.1000110V39 I49 I112 N115P37-V39 PolarHBondContact O-N 2.77Å; P37-I49 WeakPolarHBondContact CD-O 3.44Å; P37-I49 HydrophobicContact CG-CB 4.37Å; P37-I112 HydrophobicContact CG-CD1 3.9Å; P37-I112 HydrophobicContact CG-CG1 4Å; P37-I112 WeakPolarHBondContact CG-O 3.17Å; P37-N115 HydrophobicContact CB-CB 3.98Å; P37-N115 HydrophobicContact CG-CB 3.93Å; P37-N115 WeakPolarHBondContact CG-OD1 3.4Å
38G74.4Confident79.4Confident19 Ų1955.9 Ų55.920%0.19632%0.32CS..  trans-60.5135.8-17800000111.2T36 G40 N43T36-G38 PolarHBondContact O-N 2.95Å; G38-G40 PolarHBondContact O-N 2.96Å; G38-N43 PolarHBondContact O-ND2 2.93Å
39V61.7Low79.6Confident108 Ų10852.5 Ų52.566%0.65530%0.304SS*.  trans-80.893.2175.9-70.20000109P37P37-V39 PolarHBondContact O-N 2.77Å
40G52.2Low79.8Confident38 Ų3854.9 Ų54.939%0.39231%0.313SS..  trans-66.6162.3162.900000110.9G38 N42 N43G38-G40 PolarHBondContact O-N 2.96Å; G40-N42 PolarHBondContact O-N 2.76Å; G40-N43 WeakPolarHBondContact CA-OD1 3.42Å; G40-N43 PolarHBondContact N-ND2 3.44Å; G40-N43 PolarHBondContact N-OD1 3.43Å; G40-N43 WeakPolarHBondContact O-CB 3.48Å; G40-N43 PolarHBondContact O-N 2.9Å; G40-N43 VanDerWaalsContact O-N 3.09Å
41F49.8Very low80Confident223 Ų22354.1 Ų54.198%0.97831%0.308SS*.THydrogen-bonded Turntrans-53.9-17.6174.6-74.4-84.5000114.3
42N49.2Very low80.1Confident155 Ų15556.1 Ų56.183%0.82932%0.319SS*.THydrogen-bonded Turntrans-113.811.9-175.1-57.8-21.2000113.2G40G40-N42 PolarHBondContact O-N 2.76Å
43N53.5Low80.1Confident70 Ų7054.1 Ų54.137%0.37431%0.307SS..  trans-84.3145-167.7-76.830.1000113.1G38 G40G38-N43 PolarHBondContact O-ND2 2.93Å; G40-N43 WeakPolarHBondContact CA-OD1 3.42Å; G40-N43 PolarHBondContact N-ND2 3.44Å; G40-N43 PolarHBondContact N-OD1 3.43Å; G40-N43 WeakPolarHBondContact O-CB 3.48Å; G40-N43 PolarHBondContact O-N 2.9Å; G40-N43 VanDerWaalsContact O-N 3.09Å
44S56.2Low80.2Confident45 Ų4554.5 Ų54.532%0.31531%0.309SS..  trans-59.5147.317281.40000109.8N46 E131S44-N46 PolarHBondContact O-N 2.84Å; S44-N46 PolarHBondContact OG-N 3.18Å; S44-N46 PolarHBondContact OG-O 3.39Å; S44-E131 VanDerWaalsContact CB-OE1 3.31Å; S44-E131 WeakPolarHBondContact CB-OE1 3.48Å; S44-E131 PolarHBondContact OG-OE1 2.9Å
45A68.2Low80.2Confident104 Ų10451.2 Ų51.286%0.8629%0.292SS*.SBendtrans-63.2-9.9173.500000112.5
46N80.6Confident80.2Confident91 Ų9154.9 Ų54.949%0.48731%0.308SS..  trans-93.1117.4-170.3-66.4-28.1000110.7S44 F48 N115S44-N46 PolarHBondContact O-N 2.84Å; S44-N46 PolarHBondContact OG-N 3.18Å; S44-N46 PolarHBondContact OG-O 3.39Å; N46-F48 HydrophobicContact CB-CD1 4.17Å; N46-F48 HydrophobicContact CB-CE1 3.6Å; N46-F48 HydrophobicContact CB-CE2 4Å; N46-F48 HydrophobicContact CB-CZ 3.52Å; N46-N115 PolarHBondContact O-ND2 2.98Å
47K88Confident80.2Confident88 Ų8854.8 Ų54.838%0.38331%0.307SS..  trans-95.692.5172.5-64.4174.7168.5-159.10108.9T36T36-K47 HydrophobicContact CG2-CD 3.79Å; T36-K47 PolarHBondContact OG1-NZ 3.3Å
48F94.1Very high80.2Confident9 Ų956.3 Ų56.34%0.03932%0.316CS..  trans-78.5-29.8-174.3-62.3-53000113.2N46 N115 P117 E131 V134 C136 Y142N46-F48 HydrophobicContact CB-CD1 4.17Å; N46-F48 HydrophobicContact CB-CE1 3.6Å; N46-F48 HydrophobicContact CB-CE2 4Å; N46-F48 HydrophobicContact CB-CZ 3.52Å; F48-N115 WeakPolarHBondContact CB-OD1 3.09Å; F48-N115 WeakPolarHBondContact CD2-O 3.17Å; F48-N115 PolarHBondContact N-OD1 2.89Å; F48-P117 HydrophobicContact CB-CG 3.77Å; F48-E131 HydrophobicContact CD2-CG 4.02Å; F48-E131 HydrophobicContact CE2-CG 3.64Å; F48-V134 HydrophobicContact CD1-CG1 3.79Å; F48-V134 HydrophobicContact CD2-CB 4.09Å; F48-V134 HydrophobicContact CD2-CG1 4.02Å; F48-V134 HydrophobicContact CD2-CG2 4.46Å; F48-V134 HydrophobicContact CE1-CB 4.24Å; F48-V134 HydrophobicContact CE1-CG1 3.82Å; F48-V134 HydrophobicContact CE2-CB 3.77Å; F48-V134 HydrophobicContact CE2-CG1 4.05Å; F48-V134 HydrophobicContact CE2-CG2 4.42Å; F48-V134 HydrophobicContact CG-CB 4.45Å; F48-V134 HydrophobicContact CG-CG1 3.88Å; F48-V134 HydrophobicContact CZ-CB 3.83Å; F48-V134 HydrophobicContact CZ-CG1 3.94Å; F48-V134 WeakPolarHBondContact CZ-O 3.39Å; F48-C136 HydrophobicContact CD1-CB 3.42Å; F48-C136 VanDerWaalsContact CD1-CB 3.42Å; F48-C136 HydrophobicContact CE1-CB 3.68Å; F48-Y142 HydrophobicContact CB-CE1 4.31Å; F48-Y142 WeakPolarHBondContact O-CE1 3.4Å; F48-Y142 PolarHBondContact O-OH 3.12Å
49I95.8Very high80.9Confident2 Ų259.6 Ų59.61%0.0133%0.334CS..  trans-108.3134.7176.8-50.9176.6000108.4P37 H74 L76 I112 I116P37-I49 WeakPolarHBondContact CD-O 3.44Å; P37-I49 HydrophobicContact CG-CB 4.37Å; I49-H74 WeakPolarHBondContact CA-O 3.15Å; I49-H74 WeakPolarHBondContact CG2-O 3.46Å; I49-L76 HydrophobicContact CD1-CD2 4.22Å; I49-L76 HydrophobicContact CG2-CD1 4.29Å; I49-L76 HydrophobicContact CG2-CD2 3.97Å; I49-L76 HydrophobicContact CG2-CG 3.79Å; I49-I112 HydrophobicContact CB-CB 4.36Å; I49-I112 HydrophobicContact CB-CD1 4.24Å; I49-I112 HydrophobicContact CD1-CB 4.23Å; I49-I112 HydrophobicContact CG2-CB 4.02Å; I49-I112 HydrophobicContact CG2-CD1 3.94Å; I49-I112 HydrophobicContact CG2-CG2 3.8Å; I49-I116 WeakPolarHBondContact CD1-O 3.44Å
50K95.1Very high82.3Confident59 Ų5961.2 Ų61.226%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-156.9154.5170.370-179.9-166.2178.40111L34 V35 T36 H74 F140L34-K50 HydrophobicContact CD1-CB 4.41Å; V35-K50 VanDerWaalsContact O-CA 3.25Å; V35-K50 WeakPolarHBondContact O-CA 3.37Å; V35-K50 WeakPolarHBondContact O-CB 3.41Å; T36-K50 HydrophobicContact CG2-CB 4.12Å; K50-H74 WeakPolarHBondContact CE-CD2 3.29Å; K50-H74 HydrophobicContact CG-CB 4.17Å; K50-H74 PolarHBondContact N-O 2.95Å; K50-H74 PolarHBondContact O-N 3.42Å; K50-F140 HydrophobicContact CD-CE1 3.86Å; K50-F140 HydrophobicContact CD-CE2 4.41Å; K50-F140 HydrophobicContact CD-CZ 3.64Å; K50-F140 HydrophobicContact CG-CE1 4.19Å; K50-F140 HydrophobicContact CG-CZ 4.41Å
51F97.7Very high84.2Confident2 Ų259.6 Ų59.61%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-159.1159.4170.553.7-90.4000110.8V35 L53 V70 V73 L76 L84 C108 I112V35-F51 HydrophobicContact CB-CD1 4.34Å; V35-F51 HydrophobicContact CB-CD2 3.96Å; V35-F51 HydrophobicContact CB-CE1 4.07Å; V35-F51 HydrophobicContact CB-CE2 3.68Å; V35-F51 HydrophobicContact CB-CG 4.29Å; V35-F51 HydrophobicContact CB-CZ 3.73Å; V35-F51 HydrophobicContact CG1-CE1 3.93Å; V35-F51 HydrophobicContact CG1-CE2 4.07Å; V35-F51 HydrophobicContact CG1-CZ 3.61Å; V35-F51 HydrophobicContact CG2-CD2 3.93Å; V35-F51 HydrophobicContact CG2-CE2 3.48Å; V35-F51 VanDerWaalsContact CG2-CE2 3.48Å; V35-F51 HydrophobicContact CG2-CZ 3.93Å; V35-F51 PolarHBondContact N-O 3.36Å; V35-F51 PolarHBondContact O-N 3.1Å; F51-L53 HydrophobicContact CD2-CB 4.47Å; F51-L53 HydrophobicContact CE2-CB 4.3Å; F51-V70 HydrophobicContact CD2-CB 4.04Å; F51-V70 HydrophobicContact CD2-CG1 3.76Å; F51-V70 HydrophobicContact CE2-CG1 3.81Å; F51-V73 HydrophobicContact CB-CB 4.12Å; F51-V73 HydrophobicContact CB-CG1 4.18Å; F51-V73 HydrophobicContact CB-CG2 3.75Å; F51-L76 HydrophobicContact CD1-CD1 4.24Å; F51-L76 HydrophobicContact CE1-CD1 4.15Å; F51-L84 HydrophobicContact CE1-CD2 4.13Å; F51-L84 HydrophobicContact CE2-CD2 3.98Å; F51-L84 HydrophobicContact CZ-CD2 3.56Å; F51-C108 HydrophobicContact CE2-CB 4.21Å; F51-C108 HydrophobicContact CZ-CB 3.92Å; F51-I112 HydrophobicContact CE1-CD1 4Å; F51-I112 HydrophobicContact CE1-CG2 3.92Å
52N97.6Very high86.2Confident43 Ų4349.8 Ų49.823%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-87.1117.5169.3-66.8-27.7000108.6T32 F33 V70 E71T32-N52 HydrophobicContact CG2-CB 4.14Å; F33-N52 WeakPolarHBondContact O-CA 3.44Å; N52-V70 CarbonylContact O-C 3.55Å; N52-V70 VanDerWaalsContact O-CA 3.28Å; N52-V70 WeakPolarHBondContact O-CA 3.36Å; N52-E71 HydrophobicContact CB-CB 4.41Å; N52-E71 PolarHBondContact N-O 3.26Å; N52-E71 PolarHBondContact O-N 3.42Å
53L98.3Very high88.3Confident0 Ų052.7 Ų52.70%027%0.272CS..EExtended strand (participates in β ladder)trans-88.5119.9168.4170.468.4000108.4T32 F33 V35 F51 L55 I68 V70 V104 V105T32-L53 CarbonylContact C-O 3.54Å; T32-L53 WeakPolarHBondContact CA-O 3.49Å; F33-L53 HydrophobicContact CB-CB 4.37Å; F33-L53 PolarHBondContact N-O 3.39Å; F33-L53 PolarHBondContact O-N 2.89Å; V35-L53 HydrophobicContact CG2-CB 3.62Å; V35-L53 HydrophobicContact CG2-CD2 4.32Å; F51-L53 HydrophobicContact CD2-CB 4.47Å; F51-L53 HydrophobicContact CE2-CB 4.3Å; L53-L55 HydrophobicContact CD1-CD2 3.93Å; L53-L55 HydrophobicContact CD2-CD1 4.42Å; L53-L55 HydrophobicContact CD2-CD2 4.28Å; L53-L55 HydrophobicContact CD2-CG 4.37Å; L53-L55 HydrophobicContact CG-CD2 4.05Å; L53-L55 HydrophobicContact CG-CG 4.18Å; L53-I68 HydrophobicContact CD1-CG2 3.78Å; L53-V70 HydrophobicContact CD1-CG1 4.26Å; L53-V104 HydrophobicContact CD1-CG1 4.18Å; L53-V104 HydrophobicContact CD2-CG1 3.85Å; L53-V105 HydrophobicContact CD2-CG2 3.89Å
54N97.8Very high90.1Very high8 Ų853.5 Ų53.54%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-108.1117.8177.9-67.1-49.5000109.6V31 T32 S69 E71V31-N54 WeakPolarHBondContact O-CA 3.34Å; T32-N54 WeakPolarHBondContact CB-OD1 3.23Å; T32-N54 VanDerWaalsContact CG2-OD1 3.29Å; T32-N54 WeakPolarHBondContact CG2-OD1 3.41Å; T32-N54 PolarHBondContact OG1-OD1 3.41Å; N54-S69 WeakPolarHBondContact CB-OG 3.43Å; N54-S69 PolarHBondContact N-O 3Å; N54-S69 PolarHBondContact O-N 3.48Å; N54-E71 PolarHBondContact ND2-OE1 2.84Å; N54-E71 PolarHBondContact ND2-OE2 2.83Å
55L96.8Very high91.9Very high0 Ų052.9 Ų52.90%027%0.27CS..EExtended strand (participates in β ladder)trans-109.9109.8175.7-53.6175.7000108.5T30 V31 L53 F57 P66 I68 I101 V104T30-L55 WeakPolarHBondContact CA-O 3.28Å; V31-L55 HydrophobicContact CB-CB 4.3Å; V31-L55 PolarHBondContact N-O 3.2Å; V31-L55 PolarHBondContact O-N 3.12Å; L53-L55 HydrophobicContact CD1-CD2 3.93Å; L53-L55 HydrophobicContact CD2-CD1 4.42Å; L53-L55 HydrophobicContact CD2-CD2 4.28Å; L53-L55 HydrophobicContact CD2-CG 4.37Å; L53-L55 HydrophobicContact CG-CD2 4.05Å; L53-L55 HydrophobicContact CG-CG 4.18Å; L55-F57 HydrophobicContact CB-CD1 4.34Å; L55-F57 HydrophobicContact CB-CE1 4.23Å; L55-P66 HydrophobicContact CB-CB 4.39Å; L55-I68 HydrophobicContact CD2-CB 4.45Å; L55-I68 HydrophobicContact CD2-CD1 4.34Å; L55-I68 HydrophobicContact CD2-CG1 3.78Å; L55-I68 HydrophobicContact CD2-CG2 4.34Å; L55-I101 HydrophobicContact CD1-CB 4.28Å; L55-I101 HydrophobicContact CD1-CG1 4.21Å; L55-I101 HydrophobicContact CD1-CG2 3.87Å; L55-V104 HydrophobicContact CD2-CG1 3.75Å
56K95.3Very high93.2Very high76 Ų7648.3 Ų48.333%0.3323%0.231SC..EExtended strand (participates in β ladder)trans-107.1123.6178.9-64.5-175.7179.3178.40109.9Q28 C29 T30 P66 T67Q28-K56 HydrophobicContact CG-CB 4.49Å; C29-K56 WeakPolarHBondContact O-CA 3.13Å; T30-K56 HydrophobicContact CG2-CG 3.93Å; K56-P66 CarbonylContact O-C 3.56Å; K56-P66 WeakPolarHBondContact O-CA 3.24Å; K56-T67 PolarHBondContact N-O 2.93Å; K56-T67 PolarHBondContact O-N 2.81Å
57F91.6Very high93.9Very high4 Ų448.3 Ų48.32%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-139.5151.7-17943.4-88.5000112.4I5 C29 V31 L55 Y61 P66 I101I5-F57 HydrophobicContact CD1-CD2 4.13Å; I5-F57 HydrophobicContact CD1-CE2 3.93Å; I5-F57 HydrophobicContact CG1-CE2 4.14Å; I5-F57 HydrophobicContact CG2-CE2 3.9Å; I5-F57 HydrophobicContact CG2-CZ 4.36Å; C29-F57 HydrophobicContact CB-CD2 3.78Å; C29-F57 HydrophobicContact CB-CE2 3.42Å; C29-F57 VanDerWaalsContact CB-CE2 3.42Å; C29-F57 HydrophobicContact CB-CZ 3.93Å; C29-F57 PolarHBondContact N-O 3.26Å; C29-F57 PolarHBondContact O-N 3.42Å; C29-F57 VanDerWaalsContact SG-CE2 3.52Å; C29-F57 VanDerWaalsContact SG-CZ 3.5Å; V31-F57 HydrophobicContact CB-CE1 4.38Å; V31-F57 HydrophobicContact CG2-CE1 3.69Å; V31-F57 HydrophobicContact CG2-CZ 3.65Å; L55-F57 HydrophobicContact CB-CD1 4.34Å; L55-F57 HydrophobicContact CB-CE1 4.23Å; F57-Y61 HydrophobicContact CB-CD2 4.19Å; F57-Y61 HydrophobicContact CB-CG 4.22Å; F57-Y61 HydrophobicContact CD2-CD1 4.49Å; F57-Y61 HydrophobicContact CD2-CG 4.27Å; F57-Y61 HydrophobicContact CG-CD2 4.49Å; F57-Y61 HydrophobicContact CG-CG 4.36Å; F57-P66 HydrophobicContact CB-CB 4.19Å; F57-P66 HydrophobicContact CD1-CB 4.08Å; F57-I101 HydrophobicContact CD1-CD1 4.45Å; F57-I101 HydrophobicContact CE1-CD1 3.66Å; F57-I101 HydrophobicContact CE1-CG1 4.23Å; F57-I101 HydrophobicContact CE2-CD1 4.33Å; F57-I101 HydrophobicContact CZ-CD1 3.59Å
58T91.2Very high94.3Very high39 Ų3945.8 Ų45.824%0.23923%0.225CC..  trans-92168.9177.873.60000109.8K60 Y61 E64T58-K60 PolarHBondContact O-N 3.3Å; T58-K60 WeakPolarHBondContact OG1-CB 3.5Å; T58-K60 PolarHBondContact OG1-N 2.77Å; T58-Y61 WeakPolarHBondContact O-CB 3.44Å; T58-Y61 PolarHBondContact O-N 3.06Å; T58-E64 PolarHBondContact OG1-OE2 3.46Å
59P87.9Confident94.5Very high87 Ų8747 Ų4757%0.56523%0.234SC*.THydrogen-bonded Turntrans-59.7-3.2170.3-2535000115.2N27 Y61N27-P59 WeakPolarHBondContact O-CD 3.4Å; P59-Y61 VanDerWaalsContact C-N 3.34Å
60K90.6Very high94.6Very high142 Ų14248 Ų4862%0.61724%0.241SC*.THydrogen-bonded Turntrans-83.7-12.3173.8-61.9178.4-176.9169.60112.7T58 R63 E64T58-K60 PolarHBondContact O-N 3.3Å; T58-K60 WeakPolarHBondContact OG1-CB 3.5Å; T58-K60 PolarHBondContact OG1-N 2.77Å; K60-R63 WeakPolarHBondContact O-CA 3.5Å; K60-R63 WeakPolarHBondContact O-CB 3.4Å; K60-R63 PolarHBondContact O-N 3.26Å; K60-E64 HydrophobicContact CB-CB 4.03Å; K60-E64 PolarHBondContact O-N 3.19Å
61Y92.5Very high94.7Very high5 Ų549.9 Ų49.92%0.0225%0.25CS..THydrogen-bonded Turntrans-57137.6174.6178.9-92.1000111.2I4 I5 E8 F57 T58 P59 E64 P99 V100 I101I4-Y61 HydrophobicContact CG2-CE1 4.48Å; I5-Y61 HydrophobicContact CD1-CD1 4.15Å; I5-Y61 HydrophobicContact CG1-CD1 3.64Å; I5-Y61 HydrophobicContact CG1-CE1 4.1Å; E8-Y61 VanDerWaalsContact CD-OH 3.25Å; E8-Y61 PolarHBondContact OE1-OH 3.38Å; E8-Y61 WeakPolarHBondContact OE2-CE1 3.37Å; E8-Y61 PolarHBondContact OE2-OH 3.17Å; F57-Y61 HydrophobicContact CB-CD2 4.19Å; F57-Y61 HydrophobicContact CB-CG 4.22Å; F57-Y61 HydrophobicContact CD2-CD1 4.49Å; F57-Y61 HydrophobicContact CD2-CG 4.27Å; F57-Y61 HydrophobicContact CG-CD2 4.49Å; F57-Y61 HydrophobicContact CG-CG 4.36Å; T58-Y61 WeakPolarHBondContact O-CB 3.44Å; T58-Y61 PolarHBondContact O-N 3.06Å; P59-Y61 VanDerWaalsContact C-N 3.34Å; Y61-E64 WeakPolarHBondContact CD2-O 3.37Å; Y61-P99 VanDerWaalsContact OH-CA 3.23Å; Y61-P99 WeakPolarHBondContact OH-CA 3.43Å; Y61-V100 HydrophobicContact CE2-CG2 4.17Å; Y61-V100 PolarHBondContact OH-N 2.84Å; Y61-I101 HydrophobicContact CE1-CD1 4.18Å; Y61-I101 WeakPolarHBondContact OH-CG1 3.4Å; Y61-I101 PolarHBondContact OH-N 2.86Å
62P92.8Very high94.6Very high16 Ų1653.6 Ų53.610%0.10428%0.276CS..THydrogen-bonded Turncis-871.66.533.5-36000115.8I4 E64 G97 D98 P99I4-P62 HydrophobicContact CD1-CG 4.24Å; I4-P62 HydrophobicContact CG2-CG 4.49Å; P62-E64 PolarHBondContact O-N 3.04Å; P62-G97 WeakPolarHBondContact CG-O 3.18Å; P62-G97 CarbonylContact O-C 3.56Å; P62-G97 WeakPolarHBondContact O-CA 3.42Å; P62-G97 PolarHBondContact O-N 3.3Å; P62-D98 VanDerWaalsContact CB-O 3.28Å; P62-D98 WeakPolarHBondContact CB-O 3.5Å; P62-P99 HydrophobicContact CB-CG 4.47Å; P62-P99 HydrophobicContact CG-CG 4.36Å
63R92.3Very high94.6Very high217 Ų21753.4 Ų53.482%0.81928%0.276SS*.SBendtrans-62.5-27179.4-53.9178.5178.8168.51.1112.8K60K60-R63 WeakPolarHBondContact O-CA 3.5Å; K60-R63 WeakPolarHBondContact O-CB 3.4Å; K60-R63 PolarHBondContact O-N 3.26Å
64E92Very high94.5Very high86 Ų8656 Ų5640%0.40229%0.288SS..SBendtrans-113.4123169.8-176.7177.7-171.700108.2T58 K60 Y61 P62T58-E64 PolarHBondContact OG1-OE2 3.46Å; K60-E64 HydrophobicContact CB-CB 4.03Å; K60-E64 PolarHBondContact O-N 3.19Å; Y61-E64 WeakPolarHBondContact CD2-O 3.37Å; P62-E64 PolarHBondContact O-N 3.04Å
65S93.8Very high94.4Very high33 Ų3355.9 Ų55.923%0.23129%0.289CS..PPolyproline II helixtrans-61.8150.3177-53.20000111.6T92S65-T92 PolarHBondContact OG-O 3Å
66P94.7Very high94.5Very high8 Ų856.6 Ų56.65%0.05229%0.292CS..PPolyproline II helixtrans-65.4146.4176.128.8-34.5000110.8L55 K56 F57 I68 V100L55-P66 HydrophobicContact CB-CB 4.39Å; K56-P66 CarbonylContact O-C 3.56Å; K56-P66 WeakPolarHBondContact O-CA 3.24Å; F57-P66 HydrophobicContact CB-CB 4.19Å; F57-P66 HydrophobicContact CD1-CB 4.08Å; P66-I68 HydrophobicContact CG-CG1 4.43Å; P66-I68 PolarHBondContact O-N 3.24Å; P66-V100 HydrophobicContact CG-CG2 3.93Å
67T95.5Very high94.6Very high91 Ų9154.9 Ų54.956%0.55829%0.285SS*.EExtended strand (participates in β ladder)trans-75.2119.3162.9-60.20000108.5K56K56-T67 PolarHBondContact N-O 2.93Å; K56-T67 PolarHBondContact O-N 2.81Å
68I97.5Very high94.8Very high34 Ų3462.9 Ų62.917%0.17432%0.322CS..EExtended strand (participates in β ladder)trans-100.1133.8-177.4-58.3180000109.7L53 L55 P66 L85 L88 T92 V104L53-I68 HydrophobicContact CD1-CG2 3.78Å; L55-I68 HydrophobicContact CD2-CB 4.45Å; L55-I68 HydrophobicContact CD2-CD1 4.34Å; L55-I68 HydrophobicContact CD2-CG1 3.78Å; L55-I68 HydrophobicContact CD2-CG2 4.34Å; P66-I68 HydrophobicContact CG-CG1 4.43Å; P66-I68 PolarHBondContact O-N 3.24Å; I68-L85 HydrophobicContact CG2-CD2 4.37Å; I68-L88 HydrophobicContact CD1-CB 4.01Å; I68-L88 HydrophobicContact CG2-CD1 3.8Å; I68-T92 HydrophobicContact CD1-CG2 3.56Å; I68-V104 HydrophobicContact CD1-CG1 3.99Å; I68-V104 HydrophobicContact CD1-CG2 3.94Å
69S97.8Very high95.1Very high35 Ų3567 Ų6725%0.24534%0.337CS..EExtended strand (participates in β ladder)trans-144.1156168.951.30000110.6N54N54-S69 WeakPolarHBondContact CB-OG 3.43Å; N54-S69 PolarHBondContact N-O 3Å; N54-S69 PolarHBondContact O-N 3.48Å
70V98.1Very high95.6Very high24 Ų2464.2 Ų64.215%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-123.4136.7175.2-61.90000110.2F51 N52 L53 V73 I81 L84 L85F51-V70 HydrophobicContact CD2-CB 4.04Å; F51-V70 HydrophobicContact CD2-CG1 3.76Å; F51-V70 HydrophobicContact CE2-CG1 3.81Å; N52-V70 CarbonylContact O-C 3.55Å; N52-V70 VanDerWaalsContact O-CA 3.28Å; N52-V70 WeakPolarHBondContact O-CA 3.36Å; L53-V70 HydrophobicContact CD1-CG1 4.26Å; V70-V73 HydrophobicContact CB-CG2 4.23Å; V70-V73 HydrophobicContact CG2-CG2 4.03Å; V70-I81 HydrophobicContact CG2-CG2 3.72Å; V70-L84 HydrophobicContact CG1-CD2 4.36Å; V70-L85 HydrophobicContact CG1-CD2 4.29Å; V70-L85 HydrophobicContact CG2-CD1 4.39Å; V70-L85 HydrophobicContact CG2-CD2 4.22Å; V70-L85 HydrophobicContact CG2-CG 4.38Å
71E97.3Very high96Very high98 Ų9859.1 Ų59.146%0.45830%0.296SS..EExtended strand (participates in β ladder)trans-136.3165.6-175.6-68.3176.8-178.900110.7N52 N54 V73N52-E71 HydrophobicContact CB-CB 4.41Å; N52-E71 PolarHBondContact N-O 3.26Å; N52-E71 PolarHBondContact O-N 3.42Å; N54-E71 PolarHBondContact ND2-OE1 2.84Å; N54-E71 PolarHBondContact ND2-OE2 2.83Å; E71-V73 PolarHBondContact O-N 2.89Å; E71-V73 VanDerWaalsContact O-N 3.16Å
72C95.4Very high96.2Very high80 Ų8061.8 Ų61.854%0.54132%0.319SS..EExtended strand (participates in β ladder)trans49.143.4179.7-57.80000112.5H74C72-H74 PolarHBondContact O-CD2 2.81Å
73V96.7Very high96.5Very high39 Ų3966.8 Ų66.824%0.23634%0.339CS..EExtended strand (participates in β ladder)trans-77.2126.6-174.3-173.30000110.4F51 V70 E71 L76 I81F51-V73 HydrophobicContact CB-CB 4.12Å; F51-V73 HydrophobicContact CB-CG1 4.18Å; F51-V73 HydrophobicContact CB-CG2 3.75Å; V70-V73 HydrophobicContact CB-CG2 4.23Å; V70-V73 HydrophobicContact CG2-CG2 4.03Å; E71-V73 PolarHBondContact O-N 2.89Å; E71-V73 VanDerWaalsContact O-N 3.16Å; V73-L76 HydrophobicContact CG1-CB 3.84Å; V73-L76 HydrophobicContact CG1-CD1 4.19Å; V73-L76 HydrophobicContact CG1-CG 4.26Å; V73-I81 HydrophobicContact CB-CD1 4Å; V73-I81 HydrophobicContact CG1-CD1 3.72Å; V73-I81 HydrophobicContact CG1-CG1 3.96Å; V73-I81 HydrophobicContact CG2-CD1 4.15Å
74H96.7Very high96.8Very high55 Ų5556.5 Ų56.526%0.25530%0.3SS..EExtended strand (participates in β ladder)trans-123.4134.3175.1-59.4-74.9000110I49 K50 C72 L76 F140 Y142I49-H74 WeakPolarHBondContact CA-O 3.15Å; I49-H74 WeakPolarHBondContact CG2-O 3.46Å; K50-H74 WeakPolarHBondContact CE-CD2 3.29Å; K50-H74 HydrophobicContact CG-CB 4.17Å; K50-H74 PolarHBondContact N-O 2.95Å; K50-H74 PolarHBondContact O-N 3.42Å; C72-H74 PolarHBondContact O-CD2 2.81Å; H74-L76 VanDerWaalsContact C-N 3.35Å; H74-L76 PolarHBondContact O-N 3.43Å; H74-F140 HydrophobicContact CB-CB 4Å; H74-F140 HydrophobicContact CB-CD1 3.54Å; H74-F140 HydrophobicContact CB-CE1 4.23Å; H74-F140 HydrophobicContact CB-CG 3.73Å; H74-F140 AromaticContact CE1-CD2 3.69Å; H74-F140 AromaticContact CE1-CG 3.97Å; H74-F140 AromaticContact CG-CD1 3.76Å; H74-F140 AromaticContact CG-CD2 3.82Å; H74-F140 AromaticContact CG-CG 3.48Å; H74-F140 VanDerWaalsContact CG-CG 3.48Å; H74-F140 WeakPolarHBondContact ND1-CB 3.45Å; H74-F140 AromaticContact ND1-CD2 3.64Å; H74-F140 AromaticContact ND1-CG 3.42Å; H74-F140 WeakPolarHBondContact ND1-CG 3.4Å; H74-F140 AromaticContact NE2-CD2 3.9Å; H74-Y142 VanDerWaalsContact C-OH 3.32Å; H74-Y142 WeakPolarHBondContact CB-OH 3.45Å
75G97Very high97.1Very high5 Ų555.4 Ų55.45%0.05230%0.297CS..SBendtrans87.7-6.3173.400000115.3P117 T118 Y142G75-P117 CarbonylContact O-C 3.57Å; G75-P117 VanDerWaalsContact O-CA 3.26Å; G75-P117 WeakPolarHBondContact O-CA 3.23Å; G75-T118 PolarHBondContact O-N 3.11Å; G75-Y142 VanDerWaalsContact CA-OH 3.23Å; G75-Y142 WeakPolarHBondContact CA-OH 3.34Å; G75-Y142 PolarHBondContact N-OH 3.14Å
76L97.8Very high97.3Very high15 Ų1556.9 Ų56.98%0.07931%0.307CS..  trans-109.3138.9174.2-60.2179.7000111.4I49 F51 V73 H74 D80 I81 I112 T118I49-L76 HydrophobicContact CD1-CD2 4.22Å; I49-L76 HydrophobicContact CG2-CD1 4.29Å; I49-L76 HydrophobicContact CG2-CD2 3.97Å; I49-L76 HydrophobicContact CG2-CG 3.79Å; F51-L76 HydrophobicContact CD1-CD1 4.24Å; F51-L76 HydrophobicContact CE1-CD1 4.15Å; V73-L76 HydrophobicContact CG1-CB 3.84Å; V73-L76 HydrophobicContact CG1-CD1 4.19Å; V73-L76 HydrophobicContact CG1-CG 4.26Å; H74-L76 VanDerWaalsContact C-N 3.35Å; H74-L76 PolarHBondContact O-N 3.43Å; L76-D80 HydrophobicContact CD2-CB 4.49Å; L76-I81 HydrophobicContact CB-CD1 4.45Å; L76-I81 HydrophobicContact CB-CG1 3.9Å; L76-I112 HydrophobicContact CD1-CG2 4.11Å; L76-I112 HydrophobicContact CD2-CG2 4.33Å; L76-T118 WeakPolarHBondContact CA-OG1 3.32Å; L76-T118 HydrophobicContact CD2-CG2 4.2Å
77K96.6Very high97.5Very high40 Ų4059.3 Ų59.317%0.17432%0.319CS..  trans-76.2158.1168-72.2-173.6165.9-157.80111.8K79 D80 I81 T118 V119 E120 Y127K77-K79 HydrophobicContact CB-CG 4.11Å; K77-K79 PolarHBondContact O-N 3.13Å; K77-K79 VanDerWaalsContact O-N 3.14Å; K77-D80 PolarHBondContact O-N 3.41Å; K77-I81 WeakPolarHBondContact O-CG1 3.46Å; K77-I81 PolarHBondContact O-N 3Å; K77-T118 VanDerWaalsContact CD-O 3.24Å; K77-T118 WeakPolarHBondContact CD-O 3.28Å; K77-T118 WeakPolarHBondContact CE-O 3.46Å; K77-T118 WeakPolarHBondContact CG-O 3.49Å; K77-T118 PolarHBondContact N-OG1 3.37Å; K77-V119 HydrophobicContact CG-CG1 4.03Å; K77-E120 VanDerWaalsContact CE-CD 3.44Å; K77-E120 WeakPolarHBondContact CE-OE2 3.26Å; K77-E120 IonicContact NZ-OE1 3.06Å; K77-E120 PolarHBondContact NZ-OE1 2.94Å; K77-E120 IonicContact NZ-OE2 2.64Å; K77-E120 PolarHBondContact NZ-OE2 2.96Å; K77-Y127 HydrophobicContact CD-CE1 4.26Å; K77-Y127 PolarHBondContact NZ-OH 3.24Å
78E96.9Very high97.6Very high172 Ų17255 Ų5580%0.80429%0.293SS*.Hα-helixtrans-50.1-40.7175.5-65.9178.8-177.800113.3D80 I81 A82E78-D80 VanDerWaalsContact C-N 3.31Å; E78-D80 PolarHBondContact O-N 2.82Å; E78-I81 PolarHBondContact O-N 2.82Å; E78-A82 WeakPolarHBondContact O-CB 3.41Å; E78-A82 PolarHBondContact O-N 3.3Å
79K97.7Very high97.6Very high126 Ų12659.7 Ų59.755%0.54831%0.312SS..Hα-helixtrans-62.5-36.5177.169.9179.4-175.3175.80113.1K77 K83K77-K79 HydrophobicContact CB-CG 4.11Å; K77-K79 PolarHBondContact O-N 3.13Å; K77-K79 VanDerWaalsContact O-N 3.14Å; K79-K83 WeakPolarHBondContact O-CB 3.39Å; K79-K83 PolarHBondContact O-N 3.4Å
80D97.9Very high97.6Very high28 Ų2861.4 Ų61.415%0.1532%0.319CS..Hα-helixtrans-80.5-33.9-178.2-59.2-60.6000110.2L76 K77 E78 K83 L84 T118L76-D80 HydrophobicContact CD2-CB 4.49Å; K77-D80 PolarHBondContact O-N 3.41Å; E78-D80 VanDerWaalsContact C-N 3.31Å; E78-D80 PolarHBondContact O-N 2.82Å; D80-K83 PolarHBondContact O-N 3.09Å; D80-L84 WeakPolarHBondContact O-CB 3.44Å; D80-L84 PolarHBondContact O-N 3.1Å; D80-T118 WeakPolarHBondContact OD2-CB 3.49Å; D80-T118 PolarHBondContact OD2-OG1 3.38Å
81I98.4Very high97.6Very high35 Ų3561.7 Ų61.718%0.17932%0.319CS..Hα-helixtrans-61.7-47.6169.3-62.8167.8000110.5V70 V73 L76 K77 E78 K83 L84 L85V70-I81 HydrophobicContact CG2-CG2 3.72Å; V73-I81 HydrophobicContact CB-CD1 4Å; V73-I81 HydrophobicContact CG1-CD1 3.72Å; V73-I81 HydrophobicContact CG1-CG1 3.96Å; V73-I81 HydrophobicContact CG2-CD1 4.15Å; L76-I81 HydrophobicContact CB-CD1 4.45Å; L76-I81 HydrophobicContact CB-CG1 3.9Å; K77-I81 WeakPolarHBondContact O-CG1 3.46Å; K77-I81 PolarHBondContact O-N 3Å; E78-I81 PolarHBondContact O-N 2.82Å; I81-K83 VanDerWaalsContact C-N 3.32Å; I81-K83 PolarHBondContact O-N 3.02Å; I81-L84 WeakPolarHBondContact O-CB 3.2Å; I81-L84 PolarHBondContact O-N 2.83Å; I81-L85 HydrophobicContact CG2-CD1 4.16Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.16Å
82A98.3Very high97.5Very high60 Ų6057.6 Ų57.650%0.49630%0.301SS..Hα-helixtrans-62-40.6176.900000111.7E78 L85 S86E78-A82 WeakPolarHBondContact O-CB 3.41Å; E78-A82 PolarHBondContact O-N 3.3Å; A82-L85 PolarHBondContact O-N 2.93Å; A82-S86 WeakPolarHBondContact O-CB 3.4Å; A82-S86 PolarHBondContact O-N 3.49Å
83K98.5Very high97.5Very high121 Ų12159 Ų5953%0.52630%0.302SS..Hα-helixtrans-61.3-47.6173.8-176.5-176.8177.3-171.60111.6K79 D80 I81 S86 L87 F111K79-K83 WeakPolarHBondContact O-CB 3.39Å; K79-K83 PolarHBondContact O-N 3.4Å; D80-K83 PolarHBondContact O-N 3.09Å; I81-K83 VanDerWaalsContact C-N 3.32Å; I81-K83 PolarHBondContact O-N 3.02Å; K83-S86 PolarHBondContact O-N 2.93Å; K83-L87 HydrophobicContact CG-CD1 3.98Å; K83-L87 WeakPolarHBondContact O-CG 3.43Å; K83-L87 PolarHBondContact O-N 3.17Å; K83-F111 HydrophobicContact CD-CE2 4.31Å; K83-F111 HydrophobicContact CD-CZ 4.35Å; K83-F111 HydrophobicContact CG-CE2 4.35Å; K83-F111 HydrophobicContact CG-CZ 4.45Å
84L98.4Very high97.5Very high1 Ų164.6 Ų64.61%0.00533%0.326CS..Hα-helixtrans-56.3-52176.7172.961.4000111F51 V70 D80 I81 S86 L87 L88 F107 F111F51-L84 HydrophobicContact CE1-CD2 4.13Å; F51-L84 HydrophobicContact CE2-CD2 3.98Å; F51-L84 HydrophobicContact CZ-CD2 3.56Å; V70-L84 HydrophobicContact CG1-CD2 4.36Å; D80-L84 WeakPolarHBondContact O-CB 3.44Å; D80-L84 PolarHBondContact O-N 3.1Å; I81-L84 WeakPolarHBondContact O-CB 3.2Å; I81-L84 PolarHBondContact O-N 2.83Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 3.02Å; L84-L88 HydrophobicContact CD1-CD1 3.95Å; L84-L88 HydrophobicContact CD1-CG 4.01Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 HydrophobicContact CG-CG 4.45Å; L84-L88 WeakPolarHBondContact O-CG 3.45Å; L84-L88 PolarHBondContact O-N 3.35Å; L84-F107 HydrophobicContact CD1-CD1 4.2Å; L84-F107 HydrophobicContact CD1-CE1 4.09Å; L84-F111 HydrophobicContact CB-CD1 4.29Å; L84-F111 HydrophobicContact CB-CE1 3.94Å; L84-F111 HydrophobicContact CB-CE2 4.28Å; L84-F111 HydrophobicContact CB-CZ 3.93Å; L84-F111 HydrophobicContact CD1-CB 4.1Å; L84-F111 HydrophobicContact CD1-CD1 4.07Å; L84-F111 HydrophobicContact CD1-CD2 4.08Å; L84-F111 HydrophobicContact CD1-CG 3.82Å; L84-F111 HydrophobicContact CD2-CD1 4.49Å
85L98.4Very high97.4Very high64 Ų6466.3 Ų66.334%0.33533%0.33SS..Hα-helixtrans-61.8-36.5-179.7-70.1172.5000112.7I68 V70 I81 A82 K89I68-L85 HydrophobicContact CG2-CD2 4.37Å; V70-L85 HydrophobicContact CG1-CD2 4.29Å; V70-L85 HydrophobicContact CG2-CD1 4.39Å; V70-L85 HydrophobicContact CG2-CD2 4.22Å; V70-L85 HydrophobicContact CG2-CG 4.38Å; I81-L85 HydrophobicContact CG2-CD1 4.16Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.16Å; A82-L85 PolarHBondContact O-N 2.93Å; L85-K89 WeakPolarHBondContact O-CB 3.36Å; L85-K89 PolarHBondContact O-N 3.22Å
86S98.3Very high97.1Very high63 Ų6371 Ų7144%0.44135%0.354SS..Hα-helixtrans-62.9-47.1173.9-169.60000111.7A82 K83 L84 L88 K89 D90A82-S86 WeakPolarHBondContact O-CB 3.4Å; A82-S86 PolarHBondContact O-N 3.49Å; K83-S86 PolarHBondContact O-N 2.93Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 2.91Å; S86-L88 PolarHBondContact O-N 3.29Å; S86-K89 WeakPolarHBondContact O-CB 3.34Å; S86-K89 PolarHBondContact O-N 3.36Å; S86-D90 PolarHBondContact O-N 3.3Å
87L98.6Very high96.9Very high59 Ų5971.9 Ų71.931%0.30937%0.367SS..Hα-helixtrans-66.9-37.6-179.3-67.6167.3000112.2K83 L84 K89 D90 L91 F107 F111K83-L87 HydrophobicContact CG-CD1 3.98Å; K83-L87 WeakPolarHBondContact O-CG 3.43Å; K83-L87 PolarHBondContact O-N 3.17Å; L84-L87 PolarHBondContact O-N 3.02Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-D90 PolarHBondContact O-N 3.03Å; L87-L91 WeakPolarHBondContact O-CB 3.49Å; L87-L91 PolarHBondContact O-N 3.24Å; L87-F107 HydrophobicContact CB-CE1 3.78Å; L87-F107 HydrophobicContact CB-CZ 3.6Å; L87-F107 HydrophobicContact CD1-CE1 4.33Å; L87-F107 HydrophobicContact CD1-CZ 3.97Å; L87-F107 HydrophobicContact CG-CZ 4.3Å; L87-F111 HydrophobicContact CD1-CD2 4.25Å; L87-F111 HydrophobicContact CD1-CE2 3.88Å
88L98.1Very high96.8Very high1 Ų173.5 Ų73.51%0.00538%0.377CS..Hα-helixtrans-65-37.3173.9-69.8178.4000111.9I68 L84 S86 L91 T92 V104 F107I68-L88 HydrophobicContact CD1-CB 4.01Å; I68-L88 HydrophobicContact CG2-CD1 3.8Å; L84-L88 HydrophobicContact CD1-CD1 3.95Å; L84-L88 HydrophobicContact CD1-CG 4.01Å; L84-L88 HydrophobicContact CG-CD1 4.02Å; L84-L88 HydrophobicContact CG-CG 4.45Å; L84-L88 WeakPolarHBondContact O-CG 3.45Å; L84-L88 PolarHBondContact O-N 3.35Å; S86-L88 PolarHBondContact O-N 3.29Å; L88-L91 HydrophobicContact CD2-CD2 4.31Å; L88-L91 PolarHBondContact O-N 2.88Å; L88-T92 WeakPolarHBondContact O-CG2 3.48Å; L88-T92 PolarHBondContact O-N 3.42Å; L88-T92 PolarHBondContact O-OG1 3.41Å; L88-V104 HydrophobicContact CD1-CG1 4.43Å; L88-V104 HydrophobicContact CD2-CB 4.49Å; L88-V104 HydrophobicContact CD2-CG1 3.89Å; L88-F107 HydrophobicContact CD2-CB 4.25Å; L88-F107 HydrophobicContact CD2-CD1 3.54Å; L88-F107 HydrophobicContact CD2-CE1 4.25Å; L88-F107 HydrophobicContact CD2-CG 4.11Å; L88-F107 HydrophobicContact CG-CD1 4.33Å
89K97.1Very high96.7Very high133 Ų13367.6 Ų67.658%0.57835%0.354SS*.Hα-helixtrans-61.4-47.4173.4-174.7-176.1178-175.80110.7L85 S86 L87 L91 T92 L93L85-K89 WeakPolarHBondContact O-CB 3.36Å; L85-K89 PolarHBondContact O-N 3.22Å; S86-K89 WeakPolarHBondContact O-CB 3.34Å; S86-K89 PolarHBondContact O-N 3.36Å; L87-K89 VanDerWaalsContact C-N 3.31Å; K89-L91 VanDerWaalsContact C-N 3.35Å; K89-L91 PolarHBondContact O-N 2.92Å; K89-T92 PolarHBondContact O-N 3.17Å; K89-T92 PolarHBondContact O-OG1 2.67Å; K89-L93 HydrophobicContact CG-CD1 4.19Å; K89-L93 WeakPolarHBondContact O-CG 3.37Å; K89-L93 PolarHBondContact O-N 3.38Å
90D97.8Very high96.6Very high71 Ų7161.7 Ų61.738%0.3833%0.329SS..Hα-helixtrans-59.9-46177.7-62.7-24.5000110.8S86 L87 T92 L93 E94S86-D90 PolarHBondContact O-N 3.3Å; L87-D90 PolarHBondContact O-N 3.03Å; D90-T92 PolarHBondContact O-N 2.87Å; D90-L93 WeakPolarHBondContact O-CB 3.49Å; D90-L93 PolarHBondContact O-N 3.2Å; D90-L93 VanDerWaalsContact O-N 3.11Å; D90-E94 WeakPolarHBondContact O-CG 3.29Å; D90-E94 PolarHBondContact O-N 3.42Å
91L97.5Very high96.5Very high30 Ų3060.4 Ų60.416%0.15732%0.321CS..Hα-helixtrans-55.2-47.2174.7179.467.4000112.4L87 L88 K89 L93 E94 R95 D103 V104 F107L87-L91 WeakPolarHBondContact O-CB 3.49Å; L87-L91 PolarHBondContact O-N 3.24Å; L88-L91 HydrophobicContact CD2-CD2 4.31Å; L88-L91 PolarHBondContact O-N 2.88Å; K89-L91 VanDerWaalsContact C-N 3.35Å; K89-L91 PolarHBondContact O-N 2.92Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 2.94Å; L91-E94 PolarHBondContact O-N 3.12Å; L91-R95 WeakPolarHBondContact O-CB 3.25Å; L91-R95 PolarHBondContact O-N 3.09Å; L91-R95 VanDerWaalsContact O-N 3.1Å; L91-D103 HydrophobicContact CD2-CB 4.44Å; L91-V104 HydrophobicContact CD2-CG2 4.03Å; L91-F107 HydrophobicContact CD2-CB 4.08Å; L91-F107 HydrophobicContact CD2-CD2 4.44Å; L91-F107 HydrophobicContact CD2-CG 4.3Å
92T96.1Very high96.2Very high12 Ų1260.4 Ų60.47%0.07432%0.32CS..Hα-helixtrans-69.4-26.4179.1570000113.9S65 I68 L88 K89 D90 R95 N96 V100 V104S65-T92 PolarHBondContact OG-O 3Å; I68-T92 HydrophobicContact CD1-CG2 3.56Å; L88-T92 WeakPolarHBondContact O-CG2 3.48Å; L88-T92 PolarHBondContact O-N 3.42Å; L88-T92 PolarHBondContact O-OG1 3.41Å; K89-T92 PolarHBondContact O-N 3.17Å; K89-T92 PolarHBondContact O-OG1 2.67Å; D90-T92 PolarHBondContact O-N 2.87Å; T92-R95 CarbonylContact O-C 3.45Å; T92-N96 WeakPolarHBondContact O-CA 3.38Å; T92-N96 PolarHBondContact O-N 2.86Å; T92-V100 HydrophobicContact CG2-CG2 4.46Å; T92-V104 HydrophobicContact CG2-CG2 4.29Å
93L95.2Very high96Very high108 Ų10859.7 Ų59.757%0.56531%0.308SS*.Hα-helixtrans-75-41.7175.2-73.3171000111.1K89 D90 L91 R95 N96K89-L93 HydrophobicContact CG-CD1 4.19Å; K89-L93 WeakPolarHBondContact O-CG 3.37Å; K89-L93 PolarHBondContact O-N 3.38Å; D90-L93 WeakPolarHBondContact O-CB 3.49Å; D90-L93 PolarHBondContact O-N 3.2Å; D90-L93 VanDerWaalsContact O-N 3.11Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 2.94Å; L93-R95 VanDerWaalsContact C-N 3.25Å; L93-R95 PolarHBondContact O-N 3.41Å; L93-N96 WeakPolarHBondContact O-CB 3.42Å; L93-N96 PolarHBondContact O-N 2.98Å
94E96.1Very high96Very high157 Ų15754 Ų5473%0.73428%0.283SS*.Hα-helixtrans-64.1-32.1176.1-71.9178.3-178.200112.4D90 L91D90-E94 WeakPolarHBondContact O-CG 3.29Å; D90-E94 PolarHBondContact O-N 3.42Å; L91-E94 PolarHBondContact O-N 3.12Å
95R94.5Very high95.8Very high91 Ų9153.9 Ų53.934%0.34328%0.283SS..THydrogen-bonded Turntrans-106.926-179.4-58.6-62.4-68.1-74.8-16.4112.8L91 T92 L93 G97 D98 V100 D103L91-R95 WeakPolarHBondContact O-CB 3.25Å; L91-R95 PolarHBondContact O-N 3.09Å; L91-R95 VanDerWaalsContact O-N 3.1Å; T92-R95 CarbonylContact O-C 3.45Å; L93-R95 VanDerWaalsContact C-N 3.25Å; L93-R95 PolarHBondContact O-N 3.41Å; R95-G97 PolarHBondContact O-N 3.35Å; R95-D98 HydrophobicContact CB-CB 4.35Å; R95-D98 IonicContact NE-OD2 3.21Å; R95-D98 PolarHBondContact NE-OD2 3.21Å; R95-D98 WeakPolarHBondContact O-CB 3.47Å; R95-D98 PolarHBondContact O-N 3.48Å; R95-V100 HydrophobicContact CB-CG1 3.35Å; R95-V100 HydrophobicContact CG-CG1 4.26Å; R95-D103 IonicContact CZ-OD2 3.94Å; R95-D103 IonicContact NH1-OD2 3Å; R95-D103 PolarHBondContact NH1-OD2 3.01Å; R95-D103 IonicContact NH2-OD2 3.19Å; R95-D103 PolarHBondContact NH2-OD2 2.97Å
96N91.8Very high95.6Very high104 Ų10454.3 Ų54.356%0.55629%0.286SS*.THydrogen-bonded Turntrans-61.6125.8-179.7179.452000111.2T92 L93 D98T92-N96 WeakPolarHBondContact O-CA 3.38Å; T92-N96 PolarHBondContact O-N 2.86Å; L93-N96 WeakPolarHBondContact O-CB 3.42Å; L93-N96 PolarHBondContact O-N 2.98Å; N96-D98 VanDerWaalsContact C-N 3.34Å
97G93.5Very high95.5Very high33 Ų3354.5 Ų54.534%0.3428%0.278SS..THydrogen-bonded Turntrans92.1-11-174.400000114.4P62 R95P62-G97 WeakPolarHBondContact CG-O 3.18Å; P62-G97 CarbonylContact O-C 3.56Å; P62-G97 WeakPolarHBondContact O-CA 3.42Å; P62-G97 PolarHBondContact O-N 3.3Å; R95-G97 PolarHBondContact O-N 3.35Å
98D94.9Very high95.5Very high74 Ų7451.7 Ų51.740%0.39626%0.264SS..SBendtrans-100.3155.6177.2-64.7-30.8000111.8P62 R95 N96P62-D98 VanDerWaalsContact CB-O 3.28Å; P62-D98 WeakPolarHBondContact CB-O 3.5Å; R95-D98 HydrophobicContact CB-CB 4.35Å; R95-D98 IonicContact NE-OD2 3.21Å; R95-D98 PolarHBondContact NE-OD2 3.21Å; R95-D98 WeakPolarHBondContact O-CB 3.47Å; R95-D98 PolarHBondContact O-N 3.48Å; N96-D98 VanDerWaalsContact C-N 3.34Å
99P94.4Very high95.3Very high49 Ų4953.6 Ų53.632%0.31827%0.271SS..  trans-63.9131.5166.3-1428.8000110.6I4 E8 Y61 P62I4-P99 HydrophobicContact CG2-CB 4Å; I4-P99 HydrophobicContact CG2-CG 3.57Å; E8-P99 HydrophobicContact CG-CB 4.02Å; E8-P99 WeakPolarHBondContact OE1-CB 3.33Å; E8-P99 WeakPolarHBondContact OE2-CB 3.42Å; Y61-P99 VanDerWaalsContact OH-CA 3.23Å; Y61-P99 WeakPolarHBondContact OH-CA 3.43Å; P62-P99 HydrophobicContact CB-CG 4.47Å; P62-P99 HydrophobicContact CG-CG 4.36Å
100V95.8Very high95.1Very high2 Ų253.2 Ų53.21%0.01227%0.271CS..  trans-136.50.5-171.4-66.20000114.5E8 Y61 P66 T92 R95 F102 D103 V104E8-V100 PolarHBondContact OE1-N 3.47Å; Y61-V100 HydrophobicContact CE2-CG2 4.17Å; Y61-V100 PolarHBondContact OH-N 2.84Å; P66-V100 HydrophobicContact CG-CG2 3.93Å; T92-V100 HydrophobicContact CG2-CG2 4.46Å; R95-V100 HydrophobicContact CB-CG1 3.35Å; R95-V100 HydrophobicContact CG-CG1 4.26Å; V100-F102 VanDerWaalsContact C-N 3.32Å; V100-F102 PolarHBondContact O-N 2.87Å; V100-D103 PolarHBondContact O-N 2.84Å; V100-V104 HydrophobicContact CB-CG2 4.4Å; V100-V104 WeakPolarHBondContact O-CB 3.49Å; V100-V104 VanDerWaalsContact O-CG2 3.24Å; V100-V104 WeakPolarHBondContact O-CG2 3.49Å; V100-V104 PolarHBondContact O-N 2.96Å
101I94.5Very high95.1Very high0 Ų052.4 Ų52.40%026%0.264CS..Hα-helixtrans-59.3-47.6-175.3-72167.3000110E8 L12 L55 F57 Y61 V105E8-I101 HydrophobicContact CB-CB 4.43Å; E8-I101 HydrophobicContact CB-CD1 4.39Å; E8-I101 WeakPolarHBondContact OE1-CB 3.34Å; E8-I101 PolarHBondContact OE1-N 3.41Å; L12-I101 HydrophobicContact CD1-CG2 3.34Å; L12-I101 HydrophobicContact CG-CG2 4.15Å; L55-I101 HydrophobicContact CD1-CB 4.28Å; L55-I101 HydrophobicContact CD1-CG1 4.21Å; L55-I101 HydrophobicContact CD1-CG2 3.87Å; F57-I101 HydrophobicContact CD1-CD1 4.45Å; F57-I101 HydrophobicContact CE1-CD1 3.66Å; F57-I101 HydrophobicContact CE1-CG1 4.23Å; F57-I101 HydrophobicContact CE2-CD1 4.33Å; F57-I101 HydrophobicContact CZ-CD1 3.59Å; Y61-I101 HydrophobicContact CE1-CD1 4.18Å; Y61-I101 WeakPolarHBondContact OH-CG1 3.4Å; Y61-I101 PolarHBondContact OH-N 2.86Å; I101-V105 WeakPolarHBondContact O-CG2 3.44Å; I101-V105 PolarHBondContact O-N 3.26Å; I101-V105 VanDerWaalsContact O-N 3.12Å
102F93.3Very high94.9Very high36 Ų3651 Ų5116%0.15826%0.257CS..Hα-helixtrans-63.8-47.8178.4-179.1-94.7000111.8L11 L12 M15 F16 V100 V104 V105 D106L11-F102 HydrophobicContact CD2-CB 4.12Å; L11-F102 HydrophobicContact CD2-CD1 4.47Å; L11-F102 HydrophobicContact CD2-CD2 3.9Å; L11-F102 HydrophobicContact CD2-CG 3.87Å; L11-F102 HydrophobicContact CG-CD2 4.1Å; L12-F102 HydrophobicContact CD2-CD2 4.08Å; M15-F102 HydrophobicContact CB-CE2 4.44Å; M15-F102 HydrophobicContact CE-CE2 3.51Å; M15-F102 HydrophobicContact CE-CZ 3.4Å; M15-F102 HydrophobicContact CG-CE2 4.35Å; M15-F102 HydrophobicContact SD-CD2 4.09Å; M15-F102 HydrophobicContact SD-CE2 3.15Å; M15-F102 WeakPolarHBondContact SD-CE2 3.36Å; M15-F102 HydrophobicContact SD-CZ 3.45Å; M15-F102 WeakPolarHBondContact SD-CZ 3.37Å; F16-F102 HydrophobicContact CE2-CD2 4.37Å; F16-F102 AromaticContact CE2-CE2 3.75Å; F16-F102 HydrophobicContact CE2-CE2 3.75Å; F16-F102 HydrophobicContact CZ-CE2 4.26Å; V100-F102 VanDerWaalsContact C-N 3.32Å; V100-F102 PolarHBondContact O-N 2.87Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 2.6Å; F102-V105 PolarHBondContact O-N 3.48Å; F102-V105 VanDerWaalsContact O-N 3.13Å; F102-D106 HydrophobicContact CE1-CB 4.12Å; F102-D106 HydrophobicContact CZ-CB 4.27Å; F102-D106 WeakPolarHBondContact O-CB 3.4Å; F102-D106 PolarHBondContact O-N 3.44Å
103D94.4Very high94.8Very high45 Ų4553 Ų5324%0.24127%0.271CS..Hα-helixtrans-58.3-40.5-179.3-68.4-11.5000111.4L91 R95 V100 F107L91-D103 HydrophobicContact CD2-CB 4.44Å; R95-D103 IonicContact CZ-OD2 3.94Å; R95-D103 IonicContact NH1-OD2 3Å; R95-D103 PolarHBondContact NH1-OD2 3.01Å; R95-D103 IonicContact NH2-OD2 3.19Å; R95-D103 PolarHBondContact NH2-OD2 2.97Å; V100-D103 PolarHBondContact O-N 2.84Å; D103-F107 WeakPolarHBondContact O-CB 3.45Å; D103-F107 PolarHBondContact O-N 3.38Å
104V97Very high94.6Very high0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-67.5-43.6177.1171.20000111.5L53 L55 I68 L88 L91 T92 V100 F102 C108L53-V104 HydrophobicContact CD1-CG1 4.18Å; L53-V104 HydrophobicContact CD2-CG1 3.85Å; L55-V104 HydrophobicContact CD2-CG1 3.75Å; I68-V104 HydrophobicContact CD1-CG1 3.99Å; I68-V104 HydrophobicContact CD1-CG2 3.94Å; L88-V104 HydrophobicContact CD1-CG1 4.43Å; L88-V104 HydrophobicContact CD2-CB 4.49Å; L88-V104 HydrophobicContact CD2-CG1 3.89Å; L91-V104 HydrophobicContact CD2-CG2 4.03Å; T92-V104 HydrophobicContact CG2-CG2 4.29Å; V100-V104 HydrophobicContact CB-CG2 4.4Å; V100-V104 WeakPolarHBondContact O-CB 3.49Å; V100-V104 VanDerWaalsContact O-CG2 3.24Å; V100-V104 WeakPolarHBondContact O-CG2 3.49Å; V100-V104 PolarHBondContact O-N 2.96Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 2.6Å; V104-C108 WeakPolarHBondContact O-CB 3.42Å; V104-C108 PolarHBondContact O-N 3.47Å; V104-C108 PolarHBondContact O-SG 3.21Å; V104-C108 VanDerWaalsContact O-SG 3.38Å
105V95.5Very high94.5Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-62.4-47.9176.8167.70000110.8L12 F16 F33 L53 I101 F102 C108 R109L12-V105 HydrophobicContact CD2-CB 4.1Å; L12-V105 HydrophobicContact CD2-CG1 4.09Å; L12-V105 HydrophobicContact CD2-CG2 3.97Å; F16-V105 HydrophobicContact CD2-CG1 4.13Å; F16-V105 HydrophobicContact CE2-CG1 3.79Å; F16-V105 HydrophobicContact CZ-CG1 4.42Å; F33-V105 HydrophobicContact CB-CG2 4.3Å; F33-V105 HydrophobicContact CD1-CG1 4.06Å; F33-V105 HydrophobicContact CD2-CG1 3.88Å; F33-V105 HydrophobicContact CD2-CG2 3.88Å; F33-V105 HydrophobicContact CE1-CG1 3.77Å; F33-V105 HydrophobicContact CE2-CG1 3.59Å; F33-V105 HydrophobicContact CE2-CG2 4.41Å; F33-V105 HydrophobicContact CG-CG1 4.14Å; F33-V105 HydrophobicContact CG-CG2 3.97Å; F33-V105 HydrophobicContact CZ-CG1 3.54Å; L53-V105 HydrophobicContact CD2-CG2 3.89Å; I101-V105 WeakPolarHBondContact O-CG2 3.44Å; I101-V105 PolarHBondContact O-N 3.26Å; I101-V105 VanDerWaalsContact O-N 3.12Å; F102-V105 PolarHBondContact O-N 3.48Å; F102-V105 VanDerWaalsContact O-N 3.13Å; V105-C108 PolarHBondContact O-N 3.16Å; V105-R109 WeakPolarHBondContact O-CG 3.1Å; V105-R109 PolarHBondContact O-N 2.87Å; V105-R109 VanDerWaalsContact O-N 3.09Å
106D93.7Very high94.5Very high73 Ų7341.5 Ų41.539%0.3923%0.227SC..Hα-helixtrans-62.7-45.7-179.7-167.356000111.2F102 C108 R109 E110F102-D106 HydrophobicContact CE1-CB 4.12Å; F102-D106 HydrophobicContact CZ-CB 4.27Å; F102-D106 WeakPolarHBondContact O-CB 3.4Å; F102-D106 PolarHBondContact O-N 3.44Å; D106-C108 VanDerWaalsContact C-N 3.33Å; D106-C108 PolarHBondContact O-N 3.05Å; D106-R109 PolarHBondContact O-N 3.1Å; D106-R109 VanDerWaalsContact O-N 3.12Å; D106-E110 PolarHBondContact O-N 2.75Å
107F96.6Very high94.8Very high66 Ų6636.6 Ų36.629%0.28920%0.201SC..Hα-helixtrans-57-45.2175-172.5-82.9000112.3L84 L87 L88 L91 D103 R109 E110 F111L84-F107 HydrophobicContact CD1-CD1 4.2Å; L84-F107 HydrophobicContact CD1-CE1 4.09Å; L87-F107 HydrophobicContact CB-CE1 3.78Å; L87-F107 HydrophobicContact CB-CZ 3.6Å; L87-F107 HydrophobicContact CD1-CE1 4.33Å; L87-F107 HydrophobicContact CD1-CZ 3.97Å; L87-F107 HydrophobicContact CG-CZ 4.3Å; L88-F107 HydrophobicContact CD2-CB 4.25Å; L88-F107 HydrophobicContact CD2-CD1 3.54Å; L88-F107 HydrophobicContact CD2-CE1 4.25Å; L88-F107 HydrophobicContact CD2-CG 4.11Å; L88-F107 HydrophobicContact CG-CD1 4.33Å; L91-F107 HydrophobicContact CD2-CB 4.08Å; L91-F107 HydrophobicContact CD2-CD2 4.44Å; L91-F107 HydrophobicContact CD2-CG 4.3Å; D103-F107 WeakPolarHBondContact O-CB 3.45Å; D103-F107 PolarHBondContact O-N 3.38Å; F107-R109 VanDerWaalsContact C-N 3.32Å; F107-R109 PolarHBondContact O-N 2.95Å; F107-E110 PolarHBondContact O-N 2.76Å; F107-F111 HydrophobicContact CE1-CD2 4.25Å; F107-F111 WeakPolarHBondContact O-CB 3.39Å; F107-F111 PolarHBondContact O-N 2.97Å
108C97Very high95Very high0 Ų036.8 Ų36.80%020%0.196CC..Hα-helixtrans-61.1-39.4177.7-81.30000112.6V35 F51 V104 V105 D106V35-C108 HydrophobicContact CG1-CB 3.89Å; V35-C108 HydrophobicContact CG2-CB 3.96Å; F51-C108 HydrophobicContact CE2-CB 4.21Å; F51-C108 HydrophobicContact CZ-CB 3.92Å; V104-C108 WeakPolarHBondContact O-CB 3.42Å; V104-C108 PolarHBondContact O-N 3.47Å; V104-C108 PolarHBondContact O-SG 3.21Å; V104-C108 VanDerWaalsContact O-SG 3.38Å; V105-C108 PolarHBondContact O-N 3.16Å; D106-C108 VanDerWaalsContact C-N 3.33Å; D106-C108 PolarHBondContact O-N 3.05Å
109R94.2Very high95.1Very high42 Ų4234.7 Ų34.716%0.15819%0.186CC..Hα-helixtrans-70.2-40.6178.4-67.9177.575.1-104.211.2111.4V35 V105 D106 F107 I112 S113V35-R109 HydrophobicContact CG1-CG 3.95Å; V105-R109 WeakPolarHBondContact O-CG 3.1Å; V105-R109 PolarHBondContact O-N 2.87Å; V105-R109 VanDerWaalsContact O-N 3.09Å; D106-R109 PolarHBondContact O-N 3.1Å; D106-R109 VanDerWaalsContact O-N 3.12Å; F107-R109 VanDerWaalsContact C-N 3.32Å; F107-R109 PolarHBondContact O-N 2.95Å; R109-I112 PolarHBondContact O-N 3.38Å; R109-S113 PolarHBondContact O-N 3.04Å; R109-S113 VanDerWaalsContact O-N 3.17Å
110E94.3Very high95.3Very high125 Ų12535.8 Ų35.858%0.58419%0.186SC*.Hα-helixtrans-65.4-39.8175.6-174.452.7-140.900111.5D106 F107 I112 S113D106-E110 PolarHBondContact O-N 2.75Å; F107-E110 PolarHBondContact O-N 2.76Å; E110-I112 PolarHBondContact O-N 3.25Å; E110-I112 VanDerWaalsContact O-N 3.1Å; E110-S113 VanDerWaalsContact O-CB 3.27Å; E110-S113 WeakPolarHBondContact O-CB 3.27Å; E110-S113 PolarHBondContact O-N 3.38Å; E110-S113 PolarHBondContact O-OG 3.3Å; E110-S113 PolarHBondContact OE1-OG 3.48Å
111F96.2Very high95.4Very high53 Ų5335.7 Ų35.723%0.23219%0.186CC..Hα-helixtrans-56.9-30.9178.5-173-90.1000113.2K83 L84 L87 F107K83-F111 HydrophobicContact CD-CE2 4.31Å; K83-F111 HydrophobicContact CD-CZ 4.35Å; K83-F111 HydrophobicContact CG-CE2 4.35Å; K83-F111 HydrophobicContact CG-CZ 4.45Å; L84-F111 HydrophobicContact CB-CD1 4.29Å; L84-F111 HydrophobicContact CB-CE1 3.94Å; L84-F111 HydrophobicContact CB-CE2 4.28Å; L84-F111 HydrophobicContact CB-CZ 3.93Å; L84-F111 HydrophobicContact CD1-CB 4.1Å; L84-F111 HydrophobicContact CD1-CD1 4.07Å; L84-F111 HydrophobicContact CD1-CD2 4.08Å; L84-F111 HydrophobicContact CD1-CG 3.82Å; L84-F111 HydrophobicContact CD2-CD1 4.49Å; L87-F111 HydrophobicContact CD1-CD2 4.25Å; L87-F111 HydrophobicContact CD1-CE2 3.88Å; F107-F111 HydrophobicContact CE1-CD2 4.25Å; F107-F111 WeakPolarHBondContact O-CB 3.39Å; F107-F111 PolarHBondContact O-N 2.97Å
112I95Very high95.6Very high1 Ų137.6 Ų37.61%0.00520%0.201CC..THydrogen-bonded Turntrans-109.414.7179.668.9172000113.4V35 P37 I49 F51 L76 R109 E110 S114 N115V35-I112 HydrophobicContact CG1-CD1 3.75Å; V35-I112 HydrophobicContact CG1-CG1 4.38Å; P37-I112 HydrophobicContact CG-CD1 3.9Å; P37-I112 HydrophobicContact CG-CG1 4Å; P37-I112 WeakPolarHBondContact CG-O 3.17Å; I49-I112 HydrophobicContact CB-CB 4.36Å; I49-I112 HydrophobicContact CB-CD1 4.24Å; I49-I112 HydrophobicContact CD1-CB 4.23Å; I49-I112 HydrophobicContact CG2-CB 4.02Å; I49-I112 HydrophobicContact CG2-CD1 3.94Å; I49-I112 HydrophobicContact CG2-CG2 3.8Å; F51-I112 HydrophobicContact CE1-CD1 4Å; F51-I112 HydrophobicContact CE1-CG2 3.92Å; L76-I112 HydrophobicContact CD1-CG2 4.11Å; L76-I112 HydrophobicContact CD2-CG2 4.33Å; R109-I112 PolarHBondContact O-N 3.38Å; E110-I112 PolarHBondContact O-N 3.25Å; E110-I112 VanDerWaalsContact O-N 3.1Å; I112-S114 PolarHBondContact O-N 3.14Å; I112-S114 VanDerWaalsContact O-N 3.16Å; I112-N115 PolarHBondContact O-N 3.4Å
113S92.7Very high95.8Very high53 Ų5339.3 Ų39.337%0.37121%0.211SC..THydrogen-bonded Turntrans-60.9-27.7-172.464.30000113.9R109 E110 N115R109-S113 PolarHBondContact O-N 3.04Å; R109-S113 VanDerWaalsContact O-N 3.17Å; E110-S113 VanDerWaalsContact O-CB 3.27Å; E110-S113 WeakPolarHBondContact O-CB 3.27Å; E110-S113 PolarHBondContact O-N 3.38Å; E110-S113 PolarHBondContact O-OG 3.3Å; E110-S113 PolarHBondContact OE1-OG 3.48Å; S113-N115 PolarHBondContact O-N 2.89Å
114S91.9Very high96Very high67 Ų6739.2 Ų39.247%0.46921%0.214SC..THydrogen-bonded Turntrans-64.9-21.4175.670.10000113.4I112 I116I112-S114 PolarHBondContact O-N 3.14Å; I112-S114 VanDerWaalsContact O-N 3.16Å; S114-I116 WeakPolarHBondContact O-CG1 3.5Å; S114-I116 PolarHBondContact O-N 3.44Å; S114-I116 PolarHBondContact OG-N 2.71Å
115N93.6Very high96Very high6 Ų645.1 Ų45.13%0.03225%0.245CC..  trans53.921.1-176-165.729.5000114.1P37 N46 F48 I112 S113 P117 E131P37-N115 HydrophobicContact CB-CB 3.98Å; P37-N115 HydrophobicContact CG-CB 3.93Å; P37-N115 WeakPolarHBondContact CG-OD1 3.4Å; N46-N115 PolarHBondContact O-ND2 2.98Å; F48-N115 WeakPolarHBondContact CB-OD1 3.09Å; F48-N115 WeakPolarHBondContact CD2-O 3.17Å; F48-N115 PolarHBondContact N-OD1 2.89Å; I112-N115 PolarHBondContact O-N 3.4Å; S113-N115 PolarHBondContact O-N 2.89Å; N115-P117 WeakPolarHBondContact O-CD 3Å; N115-E131 PolarHBondContact ND2-OE1 2.64Å
116I95.2Very high96.1Very high42 Ų4249.8 Ų49.822%0.21527%0.27CS..  trans-99.2113.7177.4-64.1165000109I49 S114 T118 F128 E131I49-I116 WeakPolarHBondContact CD1-O 3.44Å; S114-I116 WeakPolarHBondContact O-CG1 3.5Å; S114-I116 PolarHBondContact O-N 3.44Å; S114-I116 PolarHBondContact OG-N 2.71Å; I116-T118 PolarHBondContact O-N 3.45Å; I116-F128 HydrophobicContact CG2-CB 3.72Å; I116-E131 HydrophobicContact CG1-CB 4.29Å
117P97Very high96.3Very high2 Ų251.6 Ų51.61%0.01327%0.272CS..  trans-57.1136.4178.3-24.634.9000112F48 G75 N115 V119 F128 V134 Y142F48-P117 HydrophobicContact CB-CG 3.77Å; G75-P117 CarbonylContact O-C 3.57Å; G75-P117 VanDerWaalsContact O-CA 3.26Å; G75-P117 WeakPolarHBondContact O-CA 3.23Å; N115-P117 WeakPolarHBondContact O-CD 3Å; P117-V119 VanDerWaalsContact C-N 3.32Å; P117-V119 HydrophobicContact CB-CG2 3.85Å; P117-F128 HydrophobicContact CB-CD2 4.19Å; P117-F128 HydrophobicContact CB-CE2 4.46Å; P117-V134 HydrophobicContact CG-CG1 4.04Å; P117-V134 HydrophobicContact CG-CG2 4.48Å; P117-Y142 HydrophobicContact CB-CD1 3.91Å; P117-Y142 HydrophobicContact CB-CE1 3.95Å; P117-Y142 HydrophobicContact CB-CG 4.42Å; P117-Y142 HydrophobicContact CG-CD1 3.51Å; P117-Y142 HydrophobicContact CG-CE1 3.48Å; P117-Y142 VanDerWaalsContact CG-CE1 3.48Å; P117-Y142 HydrophobicContact CG-CG 4.45Å
118T97.4Very high96.4Very high37 Ų3749.1 Ų49.123%0.22726%0.261CS..SBendtrans-87.7-5.2176730000112.9G75 L76 K77 D80 I116 Y127G75-T118 PolarHBondContact O-N 3.11Å; L76-T118 WeakPolarHBondContact CA-OG1 3.32Å; L76-T118 HydrophobicContact CD2-CG2 4.2Å; K77-T118 VanDerWaalsContact CD-O 3.24Å; K77-T118 WeakPolarHBondContact CD-O 3.28Å; K77-T118 WeakPolarHBondContact CE-O 3.46Å; K77-T118 WeakPolarHBondContact CG-O 3.49Å; K77-T118 PolarHBondContact N-OG1 3.37Å; D80-T118 WeakPolarHBondContact OD2-CB 3.49Å; D80-T118 PolarHBondContact OD2-OG1 3.38Å; I116-T118 PolarHBondContact O-N 3.45Å; T118-Y127 WeakPolarHBondContact O-CD1 3.35Å; T118-Y127 WeakPolarHBondContact O-CE1 3.5Å
119V97.6Very high96.2Very high30 Ų3059.3 Ų59.318%0.18230%0.3CS..SBendtrans-73.8160.3167.8-60.60000111.3K77 P117 F128 Y142K77-V119 HydrophobicContact CG-CG1 4.03Å; P117-V119 VanDerWaalsContact C-N 3.32Å; P117-V119 HydrophobicContact CB-CG2 3.85Å; V119-F128 WeakPolarHBondContact O-CD2 3.25Å; V119-F128 WeakPolarHBondContact O-CE2 3.31Å; V119-Y142 HydrophobicContact CG2-CD2 3.42Å; V119-Y142 VanDerWaalsContact CG2-CD2 3.42Å; V119-Y142 HydrophobicContact CG2-CE2 3.88Å; V119-Y142 HydrophobicContact CG2-CG 3.8Å
120E97.6Very high96.2Very high71 Ų7161.3 Ų61.333%0.33231%0.314SS..BIsolated β-bridgetrans-83155.8176.6-57.497.614800113K77 A122 Y127K77-E120 VanDerWaalsContact CE-CD 3.44Å; K77-E120 WeakPolarHBondContact CE-OE2 3.26Å; K77-E120 IonicContact NZ-OE1 3.06Å; K77-E120 PolarHBondContact NZ-OE1 2.94Å; K77-E120 IonicContact NZ-OE2 2.64Å; K77-E120 PolarHBondContact NZ-OE2 2.96Å; E120-A122 PolarHBondContact O-N 3.48Å; E120-Y127 HydrophobicContact CG-CD1 4.21Å; E120-Y127 HydrophobicContact CG-CE1 3.99Å
121C98.5Very high96.1Very high0 Ų058 Ų580%030%0.298CS..PPolyproline II helixtrans-58.4125.1161.7169.50000110.2I123 C124 L125 N126 F128 Y142 H144C121-I123 PolarHBondContact O-N 2.98Å; C121-I123 VanDerWaalsContact O-N 3.14Å; C121-C124 VanDerWaalsContact SG-SG 3.68Å; C121-L125 WeakPolarHBondContact O-CA 3.47Å; C121-L125 PolarHBondContact O-N 3.27Å; C121-N126 PolarHBondContact N-O 3.46Å; C121-F128 HydrophobicContact CB-CE1 4.26Å; C121-F128 HydrophobicContact CB-CZ 3.87Å; C121-Y142 WeakPolarHBondContact CA-O 3.47Å; C121-H144 WeakPolarHBondContact CB-CE1 3.4Å; C121-H144 WeakPolarHBondContact CB-ND1 3.48Å; C121-H144 PolarHBondContact SG-N 3.24Å; C121-H144 PolarHBondContact SG-ND1 2.67Å; C121-H144 VanDerWaalsContact SG-ND1 3.4Å
122A98Very high95.9Very high40 Ų4059.8 Ų59.833%0.33132%0.317SS..THydrogen-bonded Turntrans-69.5-11.6-176.600000114.4E120 Y142 F143 L184E120-A122 PolarHBondContact O-N 3.48Å; A122-Y142 PolarHBondContact N-O 3.47Å; A122-F143 HydrophobicContact CB-CD1 4.15Å; A122-F143 HydrophobicContact CB-CE1 3.71Å; A122-F143 HydrophobicContact CB-CZ 4.43Å; A122-L184 HydrophobicContact CB-CD2 3.87Å
123I98.2Very high95.9Very high72 Ų7262 Ų6237%0.36933%0.329SS..THydrogen-bonded Turntrans-91.1-50.6176.5-70164.5000111.5C121 F143 C147 I148 P183C121-I123 PolarHBondContact O-N 2.98Å; C121-I123 VanDerWaalsContact O-N 3.14Å; I123-F143 HydrophobicContact CD1-CD1 3.56Å; I123-F143 HydrophobicContact CD1-CE1 4.1Å; I123-F143 HydrophobicContact CD1-CG 4.35Å; I123-F143 HydrophobicContact CG1-CD1 3.66Å; I123-F143 HydrophobicContact CG1-CE1 3.96Å; I123-C147 HydrophobicContact CB-CB 4.02Å; I123-C147 HydrophobicContact CD1-CB 3.9Å; I123-C147 HydrophobicContact CG2-CB 4.02Å; I123-I148 HydrophobicContact CD1-CD1 4.45Å; I123-P183 HydrophobicContact CD1-CG 4.22Å; I123-P183 HydrophobicContact CG1-CB 4.46Å
124C97.9Very high96.1Very high43 Ų4360 Ų6029%0.29131%0.314SS..THydrogen-bonded Turntrans-105.6-6.5-172.177.90000114C121 N126 H144C121-C124 VanDerWaalsContact SG-SG 3.68Å; C124-N126 PolarHBondContact O-N 2.89Å; C124-N126 VanDerWaalsContact O-N 3.16Å; C124-N126 PolarHBondContact O-ND2 2.52Å; C124-N126 VanDerWaalsContact O-ND2 3.13Å; C124-N126 PolarHBondContact SG-N 3.03Å; C124-N126 PolarHBondContact SG-ND2 2.84Å; C124-H144 PolarHBondContact SG-CE1 3.43Å; C124-H144 PolarHBondContact SG-ND1 2.79Å
125L97.7Very high96.3Very high124 Ų12458.5 Ų58.565%0.64930%0.299SS*.  trans59.421-179.7-49.3179.4000114.5C121C121-L125 WeakPolarHBondContact O-CA 3.47Å; C121-L125 PolarHBondContact O-N 3.27Å
126N98.2Very high96.4Very high99 Ų9959.8 Ų59.853%0.52931%0.307SS..PPolyproline II helixtrans-101.4154.5173.1-63.8-68.4000111.2C121 C124 H144C121-N126 PolarHBondContact N-O 3.46Å; C124-N126 PolarHBondContact O-N 2.89Å; C124-N126 VanDerWaalsContact O-N 3.16Å; C124-N126 PolarHBondContact O-ND2 2.52Å; C124-N126 VanDerWaalsContact O-ND2 3.13Å; C124-N126 PolarHBondContact SG-N 3.03Å; C124-N126 PolarHBondContact SG-ND2 2.84Å; N126-H144 PolarHBondContact O-CE1 3.25Å
127Y97.7Very high96.5Very high111 Ų11158.1 Ų58.144%0.43530%0.299SS..BIsolated β-bridgetrans-72.7157.3176.4-62-80.7000112.8K77 T118 E120 H144K77-Y127 HydrophobicContact CD-CE1 4.26Å; K77-Y127 PolarHBondContact NZ-OH 3.24Å; T118-Y127 WeakPolarHBondContact O-CD1 3.35Å; T118-Y127 WeakPolarHBondContact O-CE1 3.5Å; E120-Y127 HydrophobicContact CG-CD1 4.21Å; E120-Y127 HydrophobicContact CG-CE1 3.99Å; Y127-H144 PolarHBondContact O-NE2 3.14Å; Y127-H144 VanDerWaalsContact O-NE2 3.16Å
128F97.4Very high96.3Very high14 Ų1463.2 Ų63.26%0.06133%0.33CS..PPolyproline II helixtrans-78.3140.3170.3-56.7-80.2000110.2I116 P117 V119 C121 V134 F143 H144I116-F128 HydrophobicContact CG2-CB 3.72Å; P117-F128 HydrophobicContact CB-CD2 4.19Å; P117-F128 HydrophobicContact CB-CE2 4.46Å; V119-F128 WeakPolarHBondContact O-CD2 3.25Å; V119-F128 WeakPolarHBondContact O-CE2 3.31Å; C121-F128 HydrophobicContact CB-CE1 4.26Å; C121-F128 HydrophobicContact CB-CZ 3.87Å; F128-V134 HydrophobicContact CB-CG2 3.94Å; F128-V134 HydrophobicContact CD1-CB 4.26Å; F128-V134 HydrophobicContact CD1-CG2 3.61Å; F128-V134 HydrophobicContact CE1-CB 4.5Å; F128-V134 HydrophobicContact CE1-CG1 4.44Å; F128-V134 HydrophobicContact CE1-CG2 4.28Å; F128-V134 HydrophobicContact CG-CG2 3.77Å; F128-F143 VanDerWaalsContact CE1-C 3.44Å; F128-F143 WeakPolarHBondContact CE1-O 3.44Å; F128-H144 AromaticContact CD1-CD2 3.51Å; F128-H144 AromaticContact CD1-NE2 3.67Å; F128-H144 AromaticContact CE1-CD2 3.66Å; F128-H144 AromaticContact CE1-NE2 3.94Å
129R94.7Very high96.2Very high214 Ų21465.4 Ų65.481%0.80834%0.341SS*.SBendtrans-106.5-34177.5-65.1-175.9-178.6-179.20.2112.2
130N93.4Very high96.1Very high84 Ų8465.9 Ų65.945%0.44934%0.34SS..SBendtrans-131.5150.7179.6-49-73000109.7S132 D133N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact O-N 3.07Å; N130-D133 PolarHBondContact ND2-OD2 2.64Å; N130-D133 PolarHBondContact O-N 2.89Å; N130-D133 VanDerWaalsContact O-N 3.17Å
131E92.6Very high96.1Very high55 Ų5564.3 Ų64.326%0.25733%0.333SS..G310 helixtrans-59.8-36.9174.6-176.4-176.2-175.400111.9S44 F48 N115 I116 D133 V134S44-E131 VanDerWaalsContact CB-OE1 3.31Å; S44-E131 WeakPolarHBondContact CB-OE1 3.48Å; S44-E131 PolarHBondContact OG-OE1 2.9Å; F48-E131 HydrophobicContact CD2-CG 4.02Å; F48-E131 HydrophobicContact CE2-CG 3.64Å; N115-E131 PolarHBondContact ND2-OE1 2.64Å; I116-E131 HydrophobicContact CG1-CB 4.29Å; E131-D133 PolarHBondContact O-N 2.86Å; E131-D133 VanDerWaalsContact O-N 3.14Å; E131-V134 WeakPolarHBondContact O-CB 3.28Å; E131-V134 PolarHBondContact O-N 2.78Å; E131-V134 VanDerWaalsContact O-N 3.12Å
132S92.2Very high96Very high90 Ų9065 Ų6563%0.62934%0.336SS*.G310 helixtrans-62.2-20.4177.759.20000114.3N130 V134 T145N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact O-N 3.07Å; S132-V134 VanDerWaalsContact C-N 3.33Å; S132-T145 WeakPolarHBondContact O-CG2 3.46Å
133D94.3Very high96.1Very high49 Ų4963.2 Ų63.226%0.26232%0.321SS..G310 helixtrans-91.8-2.8-177.1-55.4-22.4000111.3N130 E131 H144 T145N130-D133 PolarHBondContact ND2-OD2 2.64Å; N130-D133 PolarHBondContact O-N 2.89Å; N130-D133 VanDerWaalsContact O-N 3.17Å; E131-D133 PolarHBondContact O-N 2.86Å; E131-D133 VanDerWaalsContact O-N 3.14Å; D133-H144 CarbonylContact O-C 3.47Å; D133-H144 WeakPolarHBondContact O-CA 3.21Å; D133-T145 PolarHBondContact O-N 3.29Å
134V96.3Very high96.1Very high9 Ų961 Ų616%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-91.9125-177.2-174.60000110.2F48 P117 F128 E131 S132 Y142F48-V134 HydrophobicContact CD1-CG1 3.79Å; F48-V134 HydrophobicContact CD2-CB 4.09Å; F48-V134 HydrophobicContact CD2-CG1 4.02Å; F48-V134 HydrophobicContact CD2-CG2 4.46Å; F48-V134 HydrophobicContact CE1-CB 4.24Å; F48-V134 HydrophobicContact CE1-CG1 3.82Å; F48-V134 HydrophobicContact CE2-CB 3.77Å; F48-V134 HydrophobicContact CE2-CG1 4.05Å; F48-V134 HydrophobicContact CE2-CG2 4.42Å; F48-V134 HydrophobicContact CG-CB 4.45Å; F48-V134 HydrophobicContact CG-CG1 3.88Å; F48-V134 HydrophobicContact CZ-CB 3.83Å; F48-V134 HydrophobicContact CZ-CG1 3.94Å; F48-V134 WeakPolarHBondContact CZ-O 3.39Å; P117-V134 HydrophobicContact CG-CG1 4.04Å; P117-V134 HydrophobicContact CG-CG2 4.48Å; F128-V134 HydrophobicContact CB-CG2 3.94Å; F128-V134 HydrophobicContact CD1-CB 4.26Å; F128-V134 HydrophobicContact CD1-CG2 3.61Å; F128-V134 HydrophobicContact CE1-CB 4.5Å; F128-V134 HydrophobicContact CE1-CG1 4.44Å; F128-V134 HydrophobicContact CE1-CG2 4.28Å; F128-V134 HydrophobicContact CG-CG2 3.77Å; E131-V134 WeakPolarHBondContact O-CB 3.28Å; E131-V134 PolarHBondContact O-N 2.78Å; E131-V134 VanDerWaalsContact O-N 3.12Å; S132-V134 VanDerWaalsContact C-N 3.33Å; V134-Y142 HydrophobicContact CG1-CD1 4.17Å
135Y96.7Very high96Very high37 Ų3759.9 Ų59.915%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-109.8124.9160.9-177-87000108.6T137 Y142 F143 I148 L190 L196Y135-T137 HydrophobicContact CE1-CG2 4.05Å; Y135-Y142 WeakPolarHBondContact O-CA 3.42Å; Y135-F143 HydrophobicContact CD1-CD2 4.05Å; Y135-F143 PolarHBondContact N-O 3.39Å; Y135-F143 PolarHBondContact O-N 3.17Å; Y135-I148 HydrophobicContact CD1-CB 4.36Å; Y135-I148 HydrophobicContact CD1-CG1 4.01Å; Y135-I148 HydrophobicContact CD1-CG2 4.12Å; Y135-I148 HydrophobicContact CD2-CG2 4.05Å; Y135-I148 HydrophobicContact CE1-CG1 4.04Å; Y135-I148 HydrophobicContact CG-CB 4.45Å; Y135-I148 HydrophobicContact CG-CG1 4.47Å; Y135-I148 HydrophobicContact CG-CG2 3.74Å; Y135-L190 HydrophobicContact CE1-CD1 4.16Å; Y135-L190 HydrophobicContact CE1-CD2 4.41Å; Y135-L196 HydrophobicContact CD2-CD1 3.66Å; Y135-L196 HydrophobicContact CE2-CD1 3.61Å
136C96.7Very high96Very high32 Ų3256.8 Ų56.822%0.21628%0.281CS..EExtended strand (participates in β ladder)trans-122.9129.4-179-173.80000109.7F48 H141 Y142F48-C136 HydrophobicContact CD1-CB 3.42Å; F48-C136 VanDerWaalsContact CD1-CB 3.42Å; F48-C136 HydrophobicContact CE1-CB 3.68Å; C136-H141 WeakPolarHBondContact CA-O 3.4Å; C136-Y142 HydrophobicContact CB-CD1 4.12Å; C136-Y142 HydrophobicContact CB-CE1 4.18Å; C136-Y142 VanDerWaalsContact SG-CE1 3.51Å
137T96Very high96Very high7 Ų752.8 Ų52.84%0.04326%0.26CS..  trans-82.1170.1175.787.30000111.4Y135 N139 F140 H141 F143 E188 L190Y135-T137 HydrophobicContact CE1-CG2 4.05Å; T137-N139 PolarHBondContact O-N 3.33Å; T137-N139 PolarHBondContact OG1-N 3.15Å; T137-F140 PolarHBondContact O-N 3.29Å; T137-H141 HydrophobicContact CG2-CB 4.01Å; T137-H141 PolarHBondContact N-O 2.87Å; T137-H141 PolarHBondContact OG1-N 2.77Å; T137-F143 HydrophobicContact CG2-CD2 4.24Å; T137-F143 HydrophobicContact CG2-CE2 3.69Å; T137-E188 WeakPolarHBondContact CB-OE2 3.44Å; T137-E188 PolarHBondContact OG1-OE2 3.03Å; T137-L190 HydrophobicContact CG2-CD2 3.61Å
138T93.4Very high96Very high109 Ų10947.5 Ų47.567%0.66924%0.239SC*.THydrogen-bonded Turntrans-64.4-25.3177.462.40000112.7F140 E188T138-F140 VanDerWaalsContact C-N 3.27Å; T138-F140 WeakPolarHBondContact O-CD2 3.2Å; T138-F140 WeakPolarHBondContact O-CE2 3.24Å; T138-F140 PolarHBondContact O-N 3.01Å; T138-E188 WeakPolarHBondContact CB-OE1 2.87Å; T138-E188 PolarHBondContact N-OE1 2.88Å; T138-E188 PolarHBondContact OG1-OE1 2.98Å
139N94.4Very high96Very high83 Ų8346.8 Ų46.844%0.44424%0.236SC..THydrogen-bonded Turntrans-85.110.7172.7-67.3-58.8000114.2T137 H141 E188T137-N139 PolarHBondContact O-N 3.33Å; T137-N139 PolarHBondContact OG1-N 3.15Å; N139-H141 VanDerWaalsContact C-N 3.34Å; N139-H141 PolarHBondContact O-N 2.78Å; N139-E188 PolarHBondContact N-OE2 2.9Å; N139-E188 WeakPolarHBondContact ND2-CB 3.44Å; N139-E188 PolarHBondContact ND2-OE2 2.9Å
140F95.4Very high96.2Very high40 Ų4038.5 Ų38.518%0.17521%0.207CC..  trans60.240.9-179.7-61.3-86.3000113.5K50 H74 T137 T138 Y142K50-F140 HydrophobicContact CD-CE1 3.86Å; K50-F140 HydrophobicContact CD-CE2 4.41Å; K50-F140 HydrophobicContact CD-CZ 3.64Å; K50-F140 HydrophobicContact CG-CE1 4.19Å; K50-F140 HydrophobicContact CG-CZ 4.41Å; H74-F140 HydrophobicContact CB-CB 4Å; H74-F140 HydrophobicContact CB-CD1 3.54Å; H74-F140 HydrophobicContact CB-CE1 4.23Å; H74-F140 HydrophobicContact CB-CG 3.73Å; H74-F140 AromaticContact CE1-CD2 3.69Å; H74-F140 AromaticContact CE1-CG 3.97Å; H74-F140 AromaticContact CG-CD1 3.76Å; H74-F140 AromaticContact CG-CD2 3.82Å; H74-F140 AromaticContact CG-CG 3.48Å; H74-F140 VanDerWaalsContact CG-CG 3.48Å; H74-F140 WeakPolarHBondContact ND1-CB 3.45Å; H74-F140 AromaticContact ND1-CD2 3.64Å; H74-F140 AromaticContact ND1-CG 3.42Å; H74-F140 WeakPolarHBondContact ND1-CG 3.4Å; H74-F140 AromaticContact NE2-CD2 3.9Å; T137-F140 PolarHBondContact O-N 3.29Å; T138-F140 VanDerWaalsContact C-N 3.27Å; T138-F140 WeakPolarHBondContact O-CD2 3.2Å; T138-F140 WeakPolarHBondContact O-CE2 3.24Å; T138-F140 PolarHBondContact O-N 3.01Å; F140-Y142 HydrophobicContact CB-CE2 4.2Å; F140-Y142 VanDerWaalsContact O-CD2 3.25Å; F140-Y142 WeakPolarHBondContact O-CD2 3.39Å; F140-Y142 WeakPolarHBondContact O-CE2 3.36Å
141H97.6Very high96.4Very high39 Ų3936.9 Ų36.918%0.18120%0.195CC..  trans-92.5132.7164.3-60.1128.7000110.1C136 T137 N139 F143 L184 C185C136-H141 WeakPolarHBondContact CA-O 3.4Å; T137-H141 HydrophobicContact CG2-CB 4.01Å; T137-H141 PolarHBondContact N-O 2.87Å; T137-H141 PolarHBondContact OG1-N 2.77Å; N139-H141 VanDerWaalsContact C-N 3.34Å; N139-H141 PolarHBondContact O-N 2.78Å; H141-F143 HydrophobicContact CB-CE2 3.72Å; H141-F143 HydrophobicContact CB-CZ 3.98Å; H141-L184 HydrophobicContact CB-CB 4.45Å; H141-L184 HydrophobicContact CB-CD2 4.07Å; H141-L184 WeakPolarHBondContact CD2-CD2 3.24Å; H141-C185 WeakPolarHBondContact CE1-CB 3.38Å; H141-C185 PolarHBondContact CE1-SG 3.45Å
142Y98.2Very high96.7Very high15 Ų1534.2 Ų34.26%0.05918%0.182CC..EExtended strand (participates in β ladder)trans-110.3131.9-170.6-57-90.7000111.3F48 H74 G75 P117 V119 C121 A122 V134 Y135 C136 F140F48-Y142 HydrophobicContact CB-CE1 4.31Å; F48-Y142 WeakPolarHBondContact O-CE1 3.4Å; F48-Y142 PolarHBondContact O-OH 3.12Å; H74-Y142 VanDerWaalsContact C-OH 3.32Å; H74-Y142 WeakPolarHBondContact CB-OH 3.45Å; G75-Y142 VanDerWaalsContact CA-OH 3.23Å; G75-Y142 WeakPolarHBondContact CA-OH 3.34Å; G75-Y142 PolarHBondContact N-OH 3.14Å; P117-Y142 HydrophobicContact CB-CD1 3.91Å; P117-Y142 HydrophobicContact CB-CE1 3.95Å; P117-Y142 HydrophobicContact CB-CG 4.42Å; P117-Y142 HydrophobicContact CG-CD1 3.51Å; P117-Y142 HydrophobicContact CG-CE1 3.48Å; P117-Y142 VanDerWaalsContact CG-CE1 3.48Å; P117-Y142 HydrophobicContact CG-CG 4.45Å; V119-Y142 HydrophobicContact CG2-CD2 3.42Å; V119-Y142 VanDerWaalsContact CG2-CD2 3.42Å; V119-Y142 HydrophobicContact CG2-CE2 3.88Å; V119-Y142 HydrophobicContact CG2-CG 3.8Å; C121-Y142 WeakPolarHBondContact CA-O 3.47Å; A122-Y142 PolarHBondContact N-O 3.47Å; V134-Y142 HydrophobicContact CG1-CD1 4.17Å; Y135-Y142 WeakPolarHBondContact O-CA 3.42Å; C136-Y142 HydrophobicContact CB-CD1 4.12Å; C136-Y142 HydrophobicContact CB-CE1 4.18Å; C136-Y142 VanDerWaalsContact SG-CE1 3.51Å; F140-Y142 HydrophobicContact CB-CE2 4.2Å; F140-Y142 VanDerWaalsContact O-CD2 3.25Å; F140-Y142 WeakPolarHBondContact O-CD2 3.39Å; F140-Y142 WeakPolarHBondContact O-CE2 3.36Å
143F98.4Very high96.9Very high1 Ų131.6 Ų31.60%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-139150.7179.5-52.9-81.3000109.8A122 I123 F128 Y135 T137 H141 I148 P183 L184A122-F143 HydrophobicContact CB-CD1 4.15Å; A122-F143 HydrophobicContact CB-CE1 3.71Å; A122-F143 HydrophobicContact CB-CZ 4.43Å; I123-F143 HydrophobicContact CD1-CD1 3.56Å; I123-F143 HydrophobicContact CD1-CE1 4.1Å; I123-F143 HydrophobicContact CD1-CG 4.35Å; I123-F143 HydrophobicContact CG1-CD1 3.66Å; I123-F143 HydrophobicContact CG1-CE1 3.96Å; F128-F143 VanDerWaalsContact CE1-C 3.44Å; F128-F143 WeakPolarHBondContact CE1-O 3.44Å; Y135-F143 HydrophobicContact CD1-CD2 4.05Å; Y135-F143 PolarHBondContact N-O 3.39Å; Y135-F143 PolarHBondContact O-N 3.17Å; T137-F143 HydrophobicContact CG2-CD2 4.24Å; T137-F143 HydrophobicContact CG2-CE2 3.69Å; H141-F143 HydrophobicContact CB-CE2 3.72Å; H141-F143 HydrophobicContact CB-CZ 3.98Å; F143-I148 HydrophobicContact CB-CB 4.01Å; F143-I148 HydrophobicContact CD2-CD1 4.12Å; F143-I148 HydrophobicContact CE2-CD1 4.46Å; F143-I148 HydrophobicContact CG-CD1 4.13Å; F143-P183 HydrophobicContact CE1-CB 4.03Å; F143-P183 HydrophobicContact CE1-CG 4Å; F143-P183 HydrophobicContact CZ-CB 4.28Å; F143-P183 HydrophobicContact CZ-CG 4.11Å; F143-L184 HydrophobicContact CZ-CB 4.05Å
144H98Very high97.1Very high27 Ų2736.1 Ų36.113%0.12518%0.175CC..EExtended strand (participates in β ladder)trans-65.4141.1164.7-64.1106.3000109.3C121 C124 N126 Y127 F128 D133 Y146 C147 I148C121-H144 WeakPolarHBondContact CB-CE1 3.4Å; C121-H144 WeakPolarHBondContact CB-ND1 3.48Å; C121-H144 PolarHBondContact SG-N 3.24Å; C121-H144 PolarHBondContact SG-ND1 2.67Å; C121-H144 VanDerWaalsContact SG-ND1 3.4Å; C124-H144 PolarHBondContact SG-CE1 3.43Å; C124-H144 PolarHBondContact SG-ND1 2.79Å; N126-H144 PolarHBondContact O-CE1 3.25Å; Y127-H144 PolarHBondContact O-NE2 3.14Å; Y127-H144 VanDerWaalsContact O-NE2 3.16Å; F128-H144 AromaticContact CD1-CD2 3.51Å; F128-H144 AromaticContact CD1-NE2 3.67Å; F128-H144 AromaticContact CE1-CD2 3.66Å; F128-H144 AromaticContact CE1-NE2 3.94Å; D133-H144 CarbonylContact O-C 3.47Å; D133-H144 WeakPolarHBondContact O-CA 3.21Å; H144-Y146 PolarHBondContact O-N 3.25Å; H144-C147 HydrophobicContact CB-CB 4.04Å; H144-C147 PolarHBondContact O-N 2.69Å; H144-I148 PolarHBondContact O-N 3.4Å
145T96.9Very high97.1Very high19 Ų1939 Ų3912%0.11719%0.185CC..Hα-helixtrans-51.1-41.3172.649.60000111.5S132 D133 I148 G149 L196S132-T145 WeakPolarHBondContact O-CG2 3.46Å; D133-T145 PolarHBondContact O-N 3.29Å; T145-I148 VanDerWaalsContact O-CG2 3.3Å; T145-I148 WeakPolarHBondContact O-CG2 3.39Å; T145-G149 PolarHBondContact O-N 3.36Å; T145-L196 HydrophobicContact CG2-CD2 3.95Å
146Y97Very high97.2Very high58 Ų5838.9 Ų38.923%0.22718%0.184CC..Hα-helixtrans-61-48.7171.8177.1-92.4000113.3H144 I148 G149 E150 V200 Q203H144-Y146 PolarHBondContact O-N 3.25Å; Y146-I148 PolarHBondContact O-N 2.82Å; Y146-G149 PolarHBondContact O-N 2.77Å; Y146-E150 HydrophobicContact CE1-CG 4Å; Y146-E150 PolarHBondContact O-N 3.29Å; Y146-V200 HydrophobicContact CD2-CB 4.48Å; Y146-V200 HydrophobicContact CD2-CG2 4.27Å; Y146-V200 HydrophobicContact CE2-CB 4.15Å; Y146-V200 HydrophobicContact CE2-CG1 3.88Å; Y146-V200 HydrophobicContact CE2-CG2 4.27Å; Y146-Q203 HydrophobicContact CD2-CB 4.43Å; Y146-Q203 HydrophobicContact CE2-CB 4.21Å
147C98.4Very high97.2Very high15 Ų1540.2 Ų40.210%0.10119%0.191CC..Hα-helixtrans-65.4-41.2-176.4-70.60000111.9I123 H144 Y151I123-C147 HydrophobicContact CB-CB 4.02Å; I123-C147 HydrophobicContact CD1-CB 3.9Å; I123-C147 HydrophobicContact CG2-CB 4.02Å; H144-C147 HydrophobicContact CB-CB 4.04Å; H144-C147 PolarHBondContact O-N 2.69Å; C147-Y151 PolarHBondContact O-N 2.86Å; C147-Y151 VanDerWaalsContact O-N 3.13Å
148I98Very high97.2Very high0 Ų042.9 Ų42.90%020%0.203CC..Hα-helixtrans-71.7-33.4177.3-161.666.1000111.4I123 Y135 F143 H144 T145 Y146 Y151 M152 P183 L190 L196I123-I148 HydrophobicContact CD1-CD1 4.45Å; Y135-I148 HydrophobicContact CD1-CB 4.36Å; Y135-I148 HydrophobicContact CD1-CG1 4.01Å; Y135-I148 HydrophobicContact CD1-CG2 4.12Å; Y135-I148 HydrophobicContact CD2-CG2 4.05Å; Y135-I148 HydrophobicContact CE1-CG1 4.04Å; Y135-I148 HydrophobicContact CG-CB 4.45Å; Y135-I148 HydrophobicContact CG-CG1 4.47Å; Y135-I148 HydrophobicContact CG-CG2 3.74Å; F143-I148 HydrophobicContact CB-CB 4.01Å; F143-I148 HydrophobicContact CD2-CD1 4.12Å; F143-I148 HydrophobicContact CE2-CD1 4.46Å; F143-I148 HydrophobicContact CG-CD1 4.13Å; H144-I148 PolarHBondContact O-N 3.4Å; T145-I148 VanDerWaalsContact O-CG2 3.3Å; T145-I148 WeakPolarHBondContact O-CG2 3.39Å; Y146-I148 PolarHBondContact O-N 2.82Å; I148-Y151 HydrophobicContact CD1-CD1 3.97Å; I148-Y151 WeakPolarHBondContact O-CB 3.18Å; I148-Y151 PolarHBondContact O-N 2.95Å; I148-M152 HydrophobicContact CG1-CE 4.19Å; I148-M152 WeakPolarHBondContact O-CB 3.35Å; I148-M152 WeakPolarHBondContact O-CG 3.24Å; I148-M152 PolarHBondContact O-N 2.91Å; I148-P183 HydrophobicContact CD1-CG 3.86Å; I148-L190 HydrophobicContact CD1-CD1 3.73Å; I148-L190 HydrophobicContact CG1-CD1 4.21Å; I148-L196 HydrophobicContact CG2-CD1 3.89Å; I148-L196 HydrophobicContact CG2-CD2 4.41Å
149G98.1Very high97.4Very high0 Ų040.2 Ų40.20%018%0.181CC..Hα-helixtrans-60.6-46.4171.700000112.8T145 Y146 Y151 M152 N153 L196T145-G149 PolarHBondContact O-N 3.36Å; Y146-G149 PolarHBondContact O-N 2.77Å; G149-Y151 VanDerWaalsContact C-N 3.28Å; G149-Y151 PolarHBondContact O-N 3.26Å; G149-M152 PolarHBondContact O-N 2.93Å; G149-N153 WeakPolarHBondContact O-CB 3.22Å; G149-N153 PolarHBondContact O-N 3.21Å; G149-L196 WeakPolarHBondContact CA-O 3.38Å
150E98.1Very high97.5Very high39 Ų3940.8 Ų40.818%0.18218%0.181CC..Hα-helixtrans-62.2-36.9174.8-82.6-70.565.200112.3Y146 R154 V200 K204Y146-E150 HydrophobicContact CE1-CG 4Å; Y146-E150 PolarHBondContact O-N 3.29Å; E150-R154 WeakPolarHBondContact O-CB 3.24Å; E150-R154 PolarHBondContact O-N 2.99Å; E150-R154 VanDerWaalsContact O-N 3.11Å; E150-V200 HydrophobicContact CB-CG2 4.39Å; E150-V200 HydrophobicContact CG-CB 4.39Å; E150-V200 HydrophobicContact CG-CG1 3.75Å; E150-V200 HydrophobicContact CG-CG2 3.72Å; E150-V200 WeakPolarHBondContact OE1-CG1 3.39Å; E150-K204 IonicContact OE1-NZ 3.97Å; E150-K204 PolarHBondContact OE1-NZ 3.41Å; E150-K204 WeakPolarHBondContact OE2-CE 3.47Å; E150-K204 IonicContact OE2-NZ 2.68Å; E150-K204 PolarHBondContact OE2-NZ 3.46Å
151Y98.3Very high97.5Very high50 Ų5044.4 Ų44.420%0.19620%0.198CC..Hα-helixtrans-65.8-48.2175.2172.7-103000111.7C147 I148 G149 N153 R154 R155 V180 P181 P183C147-Y151 PolarHBondContact O-N 2.86Å; C147-Y151 VanDerWaalsContact O-N 3.13Å; I148-Y151 HydrophobicContact CD1-CD1 3.97Å; I148-Y151 WeakPolarHBondContact O-CB 3.18Å; I148-Y151 PolarHBondContact O-N 2.95Å; G149-Y151 VanDerWaalsContact C-N 3.28Å; G149-Y151 PolarHBondContact O-N 3.26Å; Y151-N153 VanDerWaalsContact C-N 3.34Å; Y151-N153 PolarHBondContact O-N 3.49Å; Y151-R154 PolarHBondContact O-N 3.29Å; Y151-R155 PolarHBondContact O-N 3.23Å; Y151-V180 HydrophobicContact CD1-CG1 4Å; Y151-V180 HydrophobicContact CE1-CG1 3.54Å; Y151-P181 VanDerWaalsContact CE1-O 3.24Å; Y151-P181 WeakPolarHBondContact CE1-O 3.49Å; Y151-P181 PolarHBondContact OH-O 3.25Å; Y151-P183 HydrophobicContact CD1-CG 3.61Å; Y151-P183 HydrophobicContact CD2-CG 4.05Å; Y151-P183 HydrophobicContact CE1-CG 3.59Å; Y151-P183 HydrophobicContact CE2-CB 4.42Å; Y151-P183 HydrophobicContact CE2-CG 4.06Å; Y151-P183 HydrophobicContact CG-CG 3.83Å
152M98.2Very high97.3Very high0 Ų046.8 Ų46.80%021%0.21CC..Hα-helixtrans-57.9-45.4176.2-76177.9175.600111.7I148 G149 R154 R155 R156 V180 L190 P191 F192 L196 V197I148-M152 HydrophobicContact CG1-CE 4.19Å; I148-M152 WeakPolarHBondContact O-CB 3.35Å; I148-M152 WeakPolarHBondContact O-CG 3.24Å; I148-M152 PolarHBondContact O-N 2.91Å; G149-M152 PolarHBondContact O-N 2.93Å; M152-R154 VanDerWaalsContact C-N 3.34Å; M152-R154 PolarHBondContact O-N 2.89Å; M152-R155 PolarHBondContact O-N 3.3Å; M152-R156 PolarHBondContact O-N 3.17Å; M152-V180 HydrophobicContact CG-CG1 3.99Å; M152-L190 HydrophobicContact CE-CB 4.22Å; M152-P191 WeakPolarHBondContact CE-O 3.23Å; M152-F192 HydrophobicContact CB-CD2 4.4Å; M152-F192 HydrophobicContact CB-CE2 3.88Å; M152-F192 HydrophobicContact CB-CZ 4.49Å; M152-L196 HydrophobicContact CE-CD1 4.1Å; M152-L196 HydrophobicContact SD-CB 4.3Å; M152-L196 HydrophobicContact SD-CD1 4.03Å; M152-V197 HydrophobicContact CB-CG2 3.87Å
153N97.4Very high97.1Very high34 Ų3446.6 Ų46.618%0.18221%0.209CC..Hα-helixtrans-60.6-44.1178.3-174.851.4000111.9G149 Y151 R156 V157 V197G149-N153 WeakPolarHBondContact O-CB 3.22Å; G149-N153 PolarHBondContact O-N 3.21Å; Y151-N153 VanDerWaalsContact C-N 3.34Å; Y151-N153 PolarHBondContact O-N 3.49Å; N153-R156 WeakPolarHBondContact O-CB 3.46Å; N153-R156 PolarHBondContact O-N 2.86Å; N153-R156 PolarHBondContact OD1-NH1 3.16Å; N153-V157 WeakPolarHBondContact O-CG2 3.31Å; N153-V157 PolarHBondContact O-N 3.03Å; N153-V197 HydrophobicContact CB-CG1 3.76Å; N153-V197 HydrophobicContact CB-CG2 4.09Å
154R97.4Very high96.8Very high145 Ų14551.2 Ų51.255%0.54723%0.234SC..Hα-helixtrans-62.7-45176.9-167.3-168.2-40.2-107.4-9.8111.8E150 Y151 M152 R156 V157 E158E150-R154 WeakPolarHBondContact O-CB 3.24Å; E150-R154 PolarHBondContact O-N 2.99Å; E150-R154 VanDerWaalsContact O-N 3.11Å; Y151-R154 PolarHBondContact O-N 3.29Å; M152-R154 VanDerWaalsContact C-N 3.34Å; M152-R154 PolarHBondContact O-N 2.89Å; R154-R156 VanDerWaalsContact C-N 3.27Å; R154-R156 PolarHBondContact O-N 3.46Å; R154-V157 PolarHBondContact O-N 2.92Å; R154-E158 WeakPolarHBondContact CD-OE1 3.5Å; R154-E158 WeakPolarHBondContact CG-OE1 3.35Å; R154-E158 WeakPolarHBondContact O-CG 3.3Å; R154-E158 PolarHBondContact O-N 2.68Å
155R97.5Very high96.5Very high70 Ų7055.3 Ų55.326%0.26425%0.253SS..Hα-helixtrans-61.5-37.6176.6-119.9-49105.8168.85.1111.8Y151 M152 E158 Y159 E162 L178Y151-R155 PolarHBondContact O-N 3.23Å; M152-R155 PolarHBondContact O-N 3.3Å; R155-E158 IonicContact CZ-OE2 2.77Å; R155-E158 IonicContact NE-OE2 3.39Å; R155-E158 PolarHBondContact NE-OE2 2.73Å; R155-E158 IonicContact NH2-OE2 3.26Å; R155-E158 PolarHBondContact NH2-OE2 3.44Å; R155-Y159 WeakPolarHBondContact O-CB 3.17Å; R155-Y159 PolarHBondContact O-N 3.49Å; R155-E162 IonicContact CZ-OE1 2.72Å; R155-E162 IonicContact NH1-OE1 2.75Å; R155-E162 PolarHBondContact NH1-OE1 3.35Å; R155-E162 IonicContact NH2-OE1 3.76Å; R155-L178 HydrophobicContact CB-CD1 4.5Å
156R97.3Very high96.2Very high34 Ų3457.6 Ų57.613%0.12827%0.265CS..Hα-helixtrans-60.7-49.1174.2-169.3-159.5-64.6131.6-20111.3M152 N153 R154 Y159 E160 L178 F192 E194M152-R156 PolarHBondContact O-N 3.17Å; N153-R156 WeakPolarHBondContact O-CB 3.46Å; N153-R156 PolarHBondContact O-N 2.86Å; N153-R156 PolarHBondContact OD1-NH1 3.16Å; R154-R156 VanDerWaalsContact C-N 3.27Å; R154-R156 PolarHBondContact O-N 3.46Å; R156-Y159 PolarHBondContact O-N 3.13Å; R156-E160 WeakPolarHBondContact CD-OE1 3.41Å; R156-E160 WeakPolarHBondContact CG-OE1 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.43Å; R156-E160 PolarHBondContact O-N 3.18Å; R156-L178 HydrophobicContact CB-CD2 4.08Å; R156-L178 HydrophobicContact CG-CD2 4.13Å; R156-F192 HydrophobicContact CB-CE2 4.18Å; R156-F192 HydrophobicContact CB-CZ 4.39Å; R156-F192 VanDerWaalsContact NH2-CE1 3.34Å; R156-E194 IonicContact CZ-OE1 2.89Å; R156-E194 IonicContact CZ-OE2 2.73Å; R156-E194 IonicContact NH2-OE1 2.64Å; R156-E194 PolarHBondContact NH2-OE1 3.45Å; R156-E194 IonicContact NH2-OE2 3.74Å; R156-E194 PolarHBondContact NH2-OE2 3.03Å
157V97.2Very high95.9Very high60 Ų6059.6 Ų59.636%0.36427%0.274SS..Hα-helixtrans-60.9-48.4178.6173.10000111.1N153 R154 Y159 E160 E161N153-V157 WeakPolarHBondContact O-CG2 3.31Å; N153-V157 PolarHBondContact O-N 3.03Å; R154-V157 PolarHBondContact O-N 2.92Å; V157-Y159 VanDerWaalsContact C-N 3.31Å; V157-Y159 PolarHBondContact O-N 3.5Å; V157-E160 PolarHBondContact O-N 3.22Å; V157-E160 VanDerWaalsContact O-N 3.17Å; V157-E161 WeakPolarHBondContact O-CG 3.42Å; V157-E161 PolarHBondContact O-N 3.33Å
158E97Very high95.5Very high62 Ų6264.3 Ų64.329%0.2930%0.303SS..Hα-helixtrans-58.8-43.2177.8-70.7165.9173.800111.2R154 R155 E161 E162R154-E158 WeakPolarHBondContact CD-OE1 3.5Å; R154-E158 WeakPolarHBondContact CG-OE1 3.35Å; R154-E158 WeakPolarHBondContact O-CG 3.3Å; R154-E158 PolarHBondContact O-N 2.68Å; R155-E158 IonicContact CZ-OE2 2.77Å; R155-E158 IonicContact NE-OE2 3.39Å; R155-E158 PolarHBondContact NE-OE2 2.73Å; R155-E158 IonicContact NH2-OE2 3.26Å; R155-E158 PolarHBondContact NH2-OE2 3.44Å; E158-E161 PolarHBondContact O-N 3.19Å; E158-E162 VanDerWaalsContact O-CG 3.26Å; E158-E162 WeakPolarHBondContact O-CG 3.42Å; E158-E162 PolarHBondContact O-N 2.64Å
159Y96.8Very high95.1Very high53 Ų5372.1 Ų72.121%0.20833%0.332CS..Hα-helixtrans-64-42.8175.1168.5-97.1000112.7R155 R156 V157 E161 E162 I163 P176 L178R155-Y159 WeakPolarHBondContact O-CB 3.17Å; R155-Y159 PolarHBondContact O-N 3.49Å; R156-Y159 PolarHBondContact O-N 3.13Å; V157-Y159 VanDerWaalsContact C-N 3.31Å; V157-Y159 PolarHBondContact O-N 3.5Å; Y159-E161 VanDerWaalsContact C-N 3.31Å; Y159-E161 PolarHBondContact O-N 3.16Å; Y159-E162 PolarHBondContact O-N 3.4Å; Y159-I163 HydrophobicContact CD1-CG1 4.26Å; Y159-I163 HydrophobicContact CD2-CD1 4.38Å; Y159-I163 HydrophobicContact CD2-CG1 4Å; Y159-I163 HydrophobicContact CE1-CG1 3.83Å; Y159-I163 HydrophobicContact CE2-CD1 3.75Å; Y159-I163 HydrophobicContact CE2-CG1 3.54Å; Y159-I163 HydrophobicContact CG-CG1 4.33Å; Y159-I163 VanDerWaalsContact CZ-CG1 3.45Å; Y159-I163 WeakPolarHBondContact O-CB 3.33Å; Y159-I163 VanDerWaalsContact O-CG1 3.29Å; Y159-I163 WeakPolarHBondContact O-CG1 3.12Å; Y159-I163 PolarHBondContact O-N 3.48Å; Y159-P176 VanDerWaalsContact CE2-O 3.24Å; Y159-P176 WeakPolarHBondContact CE2-O 3.4Å; Y159-P176 PolarHBondContact OH-O 3.21Å; Y159-L178 HydrophobicContact CD1-CB 4.02Å; Y159-L178 HydrophobicContact CD1-CD1 4.21Å; Y159-L178 HydrophobicContact CD2-CB 4.36Å; Y159-L178 HydrophobicContact CD2-CD1 4.29Å; Y159-L178 HydrophobicContact CE1-CB 4.09Å; Y159-L178 HydrophobicContact CE2-CB 4.42Å; Y159-L178 HydrophobicContact CG-CB 4.16Å; Y159-L178 HydrophobicContact CG-CD1 3.77Å
160E96.1Very high94.6Very high96 Ų9675.1 Ų75.145%0.44935%0.352SS..Hα-helixtrans-61.9-39.5177.5-75.1170.2-175.500111.9R156 V157 N164R156-E160 WeakPolarHBondContact CD-OE1 3.41Å; R156-E160 WeakPolarHBondContact CG-OE1 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.43Å; R156-E160 PolarHBondContact O-N 3.18Å; V157-E160 PolarHBondContact O-N 3.22Å; V157-E160 VanDerWaalsContact O-N 3.17Å; E160-N164 WeakPolarHBondContact O-CB 3.26Å; E160-N164 PolarHBondContact O-N 2.86Å; E160-N164 PolarHBondContact O-ND2 3.01Å
161E95.3Very high93.9Very high116 Ų11677.3 Ų77.354%0.54237%0.37SS..Hα-helixtrans-62.2-50.9172.8-69.7174.5171.700111.3V157 E158 Y159 I163 N164 E165V157-E161 WeakPolarHBondContact O-CG 3.42Å; V157-E161 PolarHBondContact O-N 3.33Å; E158-E161 PolarHBondContact O-N 3.19Å; Y159-E161 VanDerWaalsContact C-N 3.31Å; Y159-E161 PolarHBondContact O-N 3.16Å; E161-I163 VanDerWaalsContact C-N 3.33Å; E161-I163 PolarHBondContact O-N 2.86Å; E161-N164 PolarHBondContact O-N 3.15Å; E161-E165 PolarHBondContact O-N 3.45Å
162E93.8Very high93.3Very high89 Ų8985.8 Ų85.842%0.41640%0.404SS..Hα-helixtrans-56.2-45.3177-72169.7-15900111.5R155 E158 Y159 E165 L166R155-E162 IonicContact CZ-OE1 2.72Å; R155-E162 IonicContact NH1-OE1 2.75Å; R155-E162 PolarHBondContact NH1-OE1 3.35Å; R155-E162 IonicContact NH2-OE1 3.76Å; E158-E162 VanDerWaalsContact O-CG 3.26Å; E158-E162 WeakPolarHBondContact O-CG 3.42Å; E158-E162 PolarHBondContact O-N 2.64Å; Y159-E162 PolarHBondContact O-N 3.4Å; E162-E165 PolarHBondContact O-N 2.78Å; E162-L166 WeakPolarHBondContact O-CB 3.5Å; E162-L166 VanDerWaalsContact O-CG 3.28Å; E162-L166 WeakPolarHBondContact O-CG 3.29Å; E162-L166 PolarHBondContact O-N 3.13Å
163I93.7Very high92.7Very high11 Ų1189.5 Ų89.56%0.05643%0.426CS..Hα-helixtrans-66.6-39.5178.5-68.7-45000112Y159 E161 L166 K167 F175Y159-I163 HydrophobicContact CD1-CG1 4.26Å; Y159-I163 HydrophobicContact CD2-CD1 4.38Å; Y159-I163 HydrophobicContact CD2-CG1 4Å; Y159-I163 HydrophobicContact CE1-CG1 3.83Å; Y159-I163 HydrophobicContact CE2-CD1 3.75Å; Y159-I163 HydrophobicContact CE2-CG1 3.54Å; Y159-I163 HydrophobicContact CG-CG1 4.33Å; Y159-I163 VanDerWaalsContact CZ-CG1 3.45Å; Y159-I163 WeakPolarHBondContact O-CB 3.33Å; Y159-I163 VanDerWaalsContact O-CG1 3.29Å; Y159-I163 WeakPolarHBondContact O-CG1 3.12Å; Y159-I163 PolarHBondContact O-N 3.48Å; E161-I163 VanDerWaalsContact C-N 3.33Å; E161-I163 PolarHBondContact O-N 2.86Å; I163-L166 HydrophobicContact CD1-CD1 4.45Å; I163-L166 PolarHBondContact O-N 3.3Å; I163-K167 HydrophobicContact CG2-CD 3.85Å; I163-K167 VanDerWaalsContact CG2-CE 3.4Å; I163-K167 HydrophobicContact CG2-CG 4.23Å; I163-K167 WeakPolarHBondContact O-CB 3.22Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.44Å; I163-K167 PolarHBondContact O-N 2.92Å; I163-F175 HydrophobicContact CD1-CB 3.65Å; I163-F175 HydrophobicContact CD1-CD1 3.84Å; I163-F175 HydrophobicContact CD1-CG 3.94Å; I163-F175 HydrophobicContact CG2-CG 4.29Å
164N92.6Very high92.2Very high98 Ų9896.8 Ų96.852%0.52446%0.459SS..Hα-helixtrans-65.6-41.3178-73.4-30000111.5E160 E161 L166 K167 T168E160-N164 WeakPolarHBondContact O-CB 3.26Å; E160-N164 PolarHBondContact O-N 2.86Å; E160-N164 PolarHBondContact O-ND2 3.01Å; E161-N164 PolarHBondContact O-N 3.15Å; N164-L166 VanDerWaalsContact C-N 3.32Å; N164-L166 PolarHBondContact O-N 3.43Å; N164-K167 PolarHBondContact O-N 3.42Å; N164-T168 WeakPolarHBondContact O-CG2 3.28Å; N164-T168 PolarHBondContact O-N 3.37Å; N164-T168 PolarHBondContact O-OG1 2.99Å
165E91.2Very high91.7Very high113 Ų11392.8 Ų92.853%0.52845%0.446SS..Hα-helixtrans-66-32.1174-70.4-173.5-178.600113.3E161 E162 T168 R169E161-E165 PolarHBondContact O-N 3.45Å; E162-E165 PolarHBondContact O-N 2.78Å; E165-T168 PolarHBondContact O-OG1 3.38Å; E165-R169 PolarHBondContact O-NE 3.26Å; E165-R169 IonicContact OE2-NH2 3.71Å
166L90Very high91.2Very high67 Ų6793.4 Ų93.435%0.35146%0.459SS..Hα-helixtrans-76.9-40.7176.4-71.4171.4000111.7E162 I163 N164 T168 R169 C170 F175E162-L166 WeakPolarHBondContact O-CB 3.5Å; E162-L166 VanDerWaalsContact O-CG 3.28Å; E162-L166 WeakPolarHBondContact O-CG 3.29Å; E162-L166 PolarHBondContact O-N 3.13Å; I163-L166 HydrophobicContact CD1-CD1 4.45Å; I163-L166 PolarHBondContact O-N 3.3Å; N164-L166 VanDerWaalsContact C-N 3.32Å; N164-L166 PolarHBondContact O-N 3.43Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 3.38Å; L166-R169 PolarHBondContact O-N 3.32Å; L166-R169 VanDerWaalsContact O-N 3.13Å; L166-C170 PolarHBondContact O-N 2.91Å; L166-F175 HydrophobicContact CB-CD1 4.15Å; L166-F175 HydrophobicContact CB-CE1 3.69Å
167K90.7Very high91Very high99 Ų9996.1 Ų96.143%0.4348%0.483SS..Hα-helixtrans-59.2-37.5175.9-79.5173.5179169.70112.8I163 N164 R169 P171 F175I163-K167 HydrophobicContact CG2-CD 3.85Å; I163-K167 VanDerWaalsContact CG2-CE 3.4Å; I163-K167 HydrophobicContact CG2-CG 4.23Å; I163-K167 WeakPolarHBondContact O-CB 3.22Å; I163-K167 VanDerWaalsContact O-CG 3.31Å; I163-K167 WeakPolarHBondContact O-CG 3.44Å; I163-K167 PolarHBondContact O-N 2.92Å; N164-K167 PolarHBondContact O-N 3.42Å; K167-R169 VanDerWaalsContact C-N 3.33Å; K167-P171 WeakPolarHBondContact O-CA 3.22Å; K167-P171 WeakPolarHBondContact O-CG 3.34Å; K167-F175 HydrophobicContact CB-CZ 4.15Å; K167-F175 HydrophobicContact CD-CE2 4.2Å; K167-F175 HydrophobicContact CD-CZ 4.42Å; K167-F175 HydrophobicContact CG-CD2 4.33Å; K167-F175 HydrophobicContact CG-CE1 3.99Å; K167-F175 HydrophobicContact CG-CE2 3.43Å; K167-F175 VanDerWaalsContact CG-CE2 3.43Å; K167-F175 HydrophobicContact CG-CZ 3.24Å
168T90.5Very high91Very high115 Ų11595.3 Ų95.371%0.70648%0.476SS*.Hα-helixtrans-68.3-32.6177.252.60000112.6N164 E165 L166N164-T168 WeakPolarHBondContact O-CG2 3.28Å; N164-T168 PolarHBondContact O-N 3.37Å; N164-T168 PolarHBondContact O-OG1 2.99Å; E165-T168 PolarHBondContact O-OG1 3.38Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 3.38Å
169R89.5Confident90.9Very high164 Ų16497.5 Ų97.562%0.61949%0.487SS*.Hα-helixtrans-86.3-38.7179.5-70.5-177.8-77.3-173.9-6.1113.3E165 L166 K167E165-R169 PolarHBondContact O-NE 3.26Å; E165-R169 IonicContact OE2-NH2 3.71Å; L166-R169 PolarHBondContact O-N 3.32Å; L166-R169 VanDerWaalsContact O-N 3.13Å; K167-R169 VanDerWaalsContact C-N 3.33Å
170C88.5Confident91Very high62 Ų6295.1 Ų95.142%0.41948%0.478SS..  trans-139.680.4-173.2-62.20000111L166 Y172 T173L166-C170 PolarHBondContact O-N 2.91Å; C170-Y172 PolarHBondContact O-N 3.29Å; C170-Y172 VanDerWaalsContact O-N 3.15Å; C170-T173 VanDerWaalsContact CB-OG1 3.31Å; C170-T173 WeakPolarHBondContact CB-OG1 3.4Å; C170-T173 PolarHBondContact O-N 2.97Å
171P82.2Confident91.1Very high86 Ų8692 Ų9256%0.55847%0.466SS*.THydrogen-bonded Turntrans-64.7-21.2-173.6-2333.1000115.3K167K167-P171 WeakPolarHBondContact O-CA 3.22Å; K167-P171 WeakPolarHBondContact O-CG 3.34Å
172Y86.9Confident91.2Very high228 Ų22886.5 Ų86.589%0.89444%0.44SS*.THydrogen-bonded Turntrans-100.97.8-174.4-53.2-71.7000113.5C170C170-Y172 PolarHBondContact O-N 3.29Å; C170-Y172 VanDerWaalsContact O-N 3.15Å
173T85.6Confident91.4Very high77 Ų7784.1 Ų84.147%0.47243%0.432SS..PPolyproline II helixtrans-87.5136.1-178.8-61.80000110.6C170 F175C170-T173 VanDerWaalsContact CB-OG1 3.31Å; C170-T173 WeakPolarHBondContact CB-OG1 3.4Å; C170-T173 PolarHBondContact O-N 2.97Å; T173-F175 WeakPolarHBondContact O-CD2 3.48Å; T173-F175 WeakPolarHBondContact O-CE2 3.49Å; T173-F175 WeakPolarHBondContact O-CZ 3.31Å
174E87.3Confident91.6Very high188 Ų18888.1 Ų88.188%0.87945%0.453SS*.PPolyproline II helixtrans-69.4131167.2-69-177.6175.700109.6
175F86.7Confident91.8Very high60 Ų6085.7 Ų85.726%0.26344%0.443SS..PPolyproline II helixtrans-95.9140.5-176.5-60-69000110.7I163 L166 K167 T173I163-F175 HydrophobicContact CD1-CB 3.65Å; I163-F175 HydrophobicContact CD1-CD1 3.84Å; I163-F175 HydrophobicContact CD1-CG 3.94Å; I163-F175 HydrophobicContact CG2-CG 4.29Å; L166-F175 HydrophobicContact CB-CD1 4.15Å; L166-F175 HydrophobicContact CB-CE1 3.69Å; K167-F175 HydrophobicContact CB-CZ 4.15Å; K167-F175 HydrophobicContact CD-CE2 4.2Å; K167-F175 HydrophobicContact CD-CZ 4.42Å; K167-F175 HydrophobicContact CG-CD2 4.33Å; K167-F175 HydrophobicContact CG-CE1 3.99Å; K167-F175 HydrophobicContact CG-CE2 3.43Å; K167-F175 VanDerWaalsContact CG-CE2 3.43Å; K167-F175 HydrophobicContact CG-CZ 3.24Å; T173-F175 WeakPolarHBondContact O-CD2 3.48Å; T173-F175 WeakPolarHBondContact O-CE2 3.49Å; T173-F175 WeakPolarHBondContact O-CZ 3.31Å
176P87.1Confident92.1Very high84 Ų8489.6 Ų89.655%0.54545%0.453SS..PPolyproline II helixtrans-61.5151.7174.528.6-34.8000109.9Y159Y159-P176 VanDerWaalsContact CE2-O 3.24Å; Y159-P176 WeakPolarHBondContact CE2-O 3.4Å; Y159-P176 PolarHBondContact OH-O 3.21Å
177S92.5Very high92.3Very high90 Ų9090.4 Ų90.463%0.62947%0.47SS*.PPolyproline II helixtrans-69.4157.2171.851.50000111.6E179S177-E179 PolarHBondContact O-N 2.94Å; S177-E179 VanDerWaalsContact O-N 3.15Å
178L96.3Very high92.6Very high43 Ų4386.8 Ų86.823%0.22545%0.454CS..PPolyproline II helixtrans-58.9118.5171.6172.561000110.7R155 R156 Y159 V180 F192R155-L178 HydrophobicContact CB-CD1 4.5Å; R156-L178 HydrophobicContact CB-CD2 4.08Å; R156-L178 HydrophobicContact CG-CD2 4.13Å; Y159-L178 HydrophobicContact CD1-CB 4.02Å; Y159-L178 HydrophobicContact CD1-CD1 4.21Å; Y159-L178 HydrophobicContact CD2-CB 4.36Å; Y159-L178 HydrophobicContact CD2-CD1 4.29Å; Y159-L178 HydrophobicContact CE1-CB 4.09Å; Y159-L178 HydrophobicContact CE2-CB 4.42Å; Y159-L178 HydrophobicContact CG-CB 4.16Å; Y159-L178 HydrophobicContact CG-CD1 3.77Å; L178-V180 HydrophobicContact CG-CG2 4.3Å; L178-F192 HydrophobicContact CD2-CD2 3.4Å; L178-F192 HydrophobicContact CD2-CE2 3.63Å; L178-F192 HydrophobicContact CD2-CG 4.1Å; L178-F192 HydrophobicContact CD2-CZ 4.47Å; L178-F192 HydrophobicContact CG-CD2 4.34Å
179E96.7Very high92.9Very high109 Ų10986.8 Ų86.851%0.50945%0.445SS..PPolyproline II helixtrans-103.5132.9172.5-72.7-176.7169.200110.7S177 P181 F189S177-E179 PolarHBondContact O-N 2.94Å; S177-E179 VanDerWaalsContact O-N 3.15Å; E179-P181 WeakPolarHBondContact O-CD 3.34Å; E179-F189 HydrophobicContact CB-CD1 3.77Å; E179-F189 HydrophobicContact CB-CE1 3.71Å; E179-F189 HydrophobicContact CG-CD1 4.13Å; E179-F189 HydrophobicContact CG-CE1 4.02Å; E179-F189 VanDerWaalsContact OE2-CE1 3.24Å; E179-F189 WeakPolarHBondContact OE2-CE1 3.42Å
180V98.1Very high93.3Very high2 Ų279.4 Ų79.41%0.01242%0.418CS..  trans-115.287.1176.5-175.40000109.1Y151 M152 L178 L190 F192Y151-V180 HydrophobicContact CD1-CG1 4Å; Y151-V180 HydrophobicContact CE1-CG1 3.54Å; M152-V180 HydrophobicContact CG-CG1 3.99Å; L178-V180 HydrophobicContact CG-CG2 4.3Å; V180-L190 HydrophobicContact CB-CB 4.32Å; V180-L190 HydrophobicContact CG1-CB 4.14Å; V180-L190 HydrophobicContact CG1-CD1 4.37Å; V180-L190 PolarHBondContact O-N 2.97Å; V180-F192 HydrophobicContact CG2-CD2 3.79Å
181P97.8Very high93.7Very high32 Ų3281 Ų8121%0.20843%0.427CS..BIsolated β-bridgetrans-66.3145176.426.6-32.4000110.1Y151 E179 R186 E188 F189Y151-P181 VanDerWaalsContact CE1-O 3.24Å; Y151-P181 WeakPolarHBondContact CE1-O 3.49Å; Y151-P181 PolarHBondContact OH-O 3.25Å; E179-P181 WeakPolarHBondContact O-CD 3.34Å; P181-R186 HydrophobicContact CB-CB 4.45Å; P181-E188 CarbonylContact C-O 3.54Å; P181-F189 HydrophobicContact CB-CD1 4.38Å; P181-F189 HydrophobicContact CB-CE1 4.27Å
182C98.4Very high94.4Very high0 Ų080.2 Ų80.20%042%0.415CS..  trans-54.4127.2174.1176.70000110L184 R186 E188 L190C182-L184 PolarHBondContact O-N 3.11Å; C182-L184 VanDerWaalsContact O-N 3.07Å; C182-R186 VanDerWaalsContact O-CA 3.28Å; C182-R186 WeakPolarHBondContact O-CA 3.42Å; C182-R186 PolarHBondContact O-N 3.44Å; C182-E188 HydrophobicContact CB-CB 4.31Å; C182-E188 PolarHBondContact N-O 3.13Å; C182-L190 HydrophobicContact CB-CD2 4.34Å; C182-L190 HydrophobicContact CB-CG 4.49Å
183P97.8Very high94.8Very high38 Ų3870.8 Ų70.825%0.24738%0.382CS..THydrogen-bonded Turntrans-57.5-27.2-179.5-24.631000113.9I123 F143 I148 Y151I123-P183 HydrophobicContact CD1-CG 4.22Å; I123-P183 HydrophobicContact CG1-CB 4.46Å; F143-P183 HydrophobicContact CE1-CB 4.03Å; F143-P183 HydrophobicContact CE1-CG 4Å; F143-P183 HydrophobicContact CZ-CB 4.28Å; F143-P183 HydrophobicContact CZ-CG 4.11Å; I148-P183 HydrophobicContact CD1-CG 3.86Å; Y151-P183 HydrophobicContact CD1-CG 3.61Å; Y151-P183 HydrophobicContact CD2-CG 4.05Å; Y151-P183 HydrophobicContact CE1-CG 3.59Å; Y151-P183 HydrophobicContact CE2-CB 4.42Å; Y151-P183 HydrophobicContact CE2-CG 4.06Å; Y151-P183 HydrophobicContact CG-CG 3.83Å
184L97.4Very high95.4Very high96 Ų9671.5 Ų71.550%0.50338%0.38SS..THydrogen-bonded Turntrans-89.9-57.3-175.4-175.652.4000112.4A122 H141 F143 C182A122-L184 HydrophobicContact CB-CD2 3.87Å; H141-L184 HydrophobicContact CB-CB 4.45Å; H141-L184 HydrophobicContact CB-CD2 4.07Å; H141-L184 WeakPolarHBondContact CD2-CD2 3.24Å; F143-L184 HydrophobicContact CZ-CB 4.05Å; C182-L184 PolarHBondContact O-N 3.11Å; C182-L184 VanDerWaalsContact O-N 3.07Å
185C97.2Very high95.8Very high46 Ų4668.5 Ų68.531%0.31137%0.37SS..THydrogen-bonded Turntrans-99.2-19.9-175.768.50000115.3H141 A187H141-C185 WeakPolarHBondContact CE1-CB 3.38Å; H141-C185 PolarHBondContact CE1-SG 3.45Å; C185-A187 PolarHBondContact O-N 3.38Å
186R96.1Very high96.2Very high195 Ų19566.5 Ų66.574%0.73636%0.362SS*.SBendtrans55.7-2.3-173-54.7179.9177.3-172.4-2.9116.6P181 C182P181-R186 HydrophobicContact CB-CB 4.45Å; C182-R186 VanDerWaalsContact O-CA 3.28Å; C182-R186 WeakPolarHBondContact O-CA 3.42Å; C182-R186 PolarHBondContact O-N 3.44Å
187A96Very high96.7Very high84 Ų8462.6 Ų62.669%0.69434%0.337SS*.SBendtrans-84.9-23.1-17900000113.1C185C185-A187 PolarHBondContact O-N 3.38Å
188E96.4Very high96.7Very high24 Ų2462 Ų6211%0.11233%0.327CS..SBendtrans-104.4132.7177.6179.4-179.3-172.900110T137 T138 N139 P181 C182 L190T137-E188 WeakPolarHBondContact CB-OE2 3.44Å; T137-E188 PolarHBondContact OG1-OE2 3.03Å; T138-E188 WeakPolarHBondContact CB-OE1 2.87Å; T138-E188 PolarHBondContact N-OE1 2.88Å; T138-E188 PolarHBondContact OG1-OE1 2.98Å; N139-E188 PolarHBondContact N-OE2 2.9Å; N139-E188 WeakPolarHBondContact ND2-CB 3.44Å; N139-E188 PolarHBondContact ND2-OE2 2.9Å; P181-E188 CarbonylContact C-O 3.54Å; C182-E188 HydrophobicContact CB-CB 4.31Å; C182-E188 PolarHBondContact N-O 3.13Å; E188-L190 HydrophobicContact CG-CD2 4.18Å
189F97.2Very high96.3Very high115 Ų11563.2 Ų63.250%0.50433%0.333SS..BIsolated β-bridgetrans-92.3121.1169.6-67.2-78.6000109.8E179 P181E179-F189 HydrophobicContact CB-CD1 3.77Å; E179-F189 HydrophobicContact CB-CE1 3.71Å; E179-F189 HydrophobicContact CG-CD1 4.13Å; E179-F189 HydrophobicContact CG-CE1 4.02Å; E179-F189 VanDerWaalsContact OE2-CE1 3.24Å; E179-F189 WeakPolarHBondContact OE2-CE1 3.42Å; P181-F189 HydrophobicContact CB-CD1 4.38Å; P181-F189 HydrophobicContact CB-CE1 4.27Å
190L97.3Very high95.5Very high9 Ų958 Ų585%0.04731%0.309CS..PPolyproline II helixtrans-81.4140.4-178.6-53.6-177.9000110.1Y135 T137 I148 M152 V180 C182 E188 F192Y135-L190 HydrophobicContact CE1-CD1 4.16Å; Y135-L190 HydrophobicContact CE1-CD2 4.41Å; T137-L190 HydrophobicContact CG2-CD2 3.61Å; I148-L190 HydrophobicContact CD1-CD1 3.73Å; I148-L190 HydrophobicContact CG1-CD1 4.21Å; M152-L190 HydrophobicContact CE-CB 4.22Å; V180-L190 HydrophobicContact CB-CB 4.32Å; V180-L190 HydrophobicContact CG1-CB 4.14Å; V180-L190 HydrophobicContact CG1-CD1 4.37Å; V180-L190 PolarHBondContact O-N 2.97Å; C182-L190 HydrophobicContact CB-CD2 4.34Å; C182-L190 HydrophobicContact CB-CG 4.49Å; E188-L190 HydrophobicContact CG-CD2 4.18Å; L190-F192 PolarHBondContact O-N 2.72Å
191P96.3Very high94.5Very high95 Ų9562 Ų6262%0.61733%0.327SS*.PPolyproline II helixtrans-63.7126.9170.527.2-33000109.3M152 S193M152-P191 WeakPolarHBondContact CE-O 3.23Å; P191-S193 PolarHBondContact O-N 3.22Å
192F97.1Very high93.4Very high69 Ų6963.4 Ų63.430%0.30334%0.338SS..PPolyproline II helixtrans-62.1134174.1-169.7-88.8000110.4M152 R156 L178 V180 L190 V197M152-F192 HydrophobicContact CB-CD2 4.4Å; M152-F192 HydrophobicContact CB-CE2 3.88Å; M152-F192 HydrophobicContact CB-CZ 4.49Å; R156-F192 HydrophobicContact CB-CE2 4.18Å; R156-F192 HydrophobicContact CB-CZ 4.39Å; R156-F192 VanDerWaalsContact NH2-CE1 3.34Å; L178-F192 HydrophobicContact CD2-CD2 3.4Å; L178-F192 HydrophobicContact CD2-CE2 3.63Å; L178-F192 HydrophobicContact CD2-CG 4.1Å; L178-F192 HydrophobicContact CD2-CZ 4.47Å; L178-F192 HydrophobicContact CG-CD2 4.34Å; V180-F192 HydrophobicContact CG2-CD2 3.79Å; L190-F192 PolarHBondContact O-N 2.72Å; F192-V197 HydrophobicContact CZ-CG2 3.87Å
193S96.6Very high91.9Very high30 Ų3067.1 Ų67.121%0.2136%0.355CS..  trans-130.2115.7-179.3175.70000111.2P191 D195 L196 V197P191-S193 PolarHBondContact O-N 3.22Å; S193-D195 VanDerWaalsContact C-N 3.3Å; S193-L196 PolarHBondContact O-N 3.1Å; S193-L196 WeakPolarHBondContact OG-CG 3.44Å; S193-L196 PolarHBondContact OG-N 3.37Å; S193-V197 PolarHBondContact O-N 2.91Å
194E96.3Very high90.2Very high93 Ų9369.4 Ų69.444%0.43536%0.361SS..Hα-helixtrans-66.2-35.5174.8-160.158.5-128.700111.5R156 L196 V197 N198R156-E194 IonicContact CZ-OE1 2.89Å; R156-E194 IonicContact CZ-OE2 2.73Å; R156-E194 IonicContact NH2-OE1 2.64Å; R156-E194 PolarHBondContact NH2-OE1 3.45Å; R156-E194 IonicContact NH2-OE2 3.74Å; R156-E194 PolarHBondContact NH2-OE2 3.03Å; E194-L196 PolarHBondContact O-N 3.22Å; E194-V197 PolarHBondContact O-N 3.31Å; E194-N198 WeakPolarHBondContact O-CB 3.46Å; E194-N198 VanDerWaalsContact O-CG 3.26Å; E194-N198 PolarHBondContact O-N 3.08Å; E194-N198 PolarHBondContact O-ND2 3.47Å; E194-N198 VanDerWaalsContact O-ND2 3.17Å
195D95.9Very high88.1Confident125 Ų12570.1 Ų70.167%0.66837%0.365SS*.Hα-helixtrans-61.2-44.4177.5-64.9-28.4000111.6S193 V197 N198 L199S193-D195 VanDerWaalsContact C-N 3.3Å; D195-V197 VanDerWaalsContact C-N 3.32Å; D195-V197 PolarHBondContact O-N 3.46Å; D195-N198 PolarHBondContact O-N 3.43Å; D195-L199 WeakPolarHBondContact O-CG 3.5Å; D195-L199 PolarHBondContact O-N 3Å
196L96.3Very high86.3Confident18 Ų1871.4 Ų71.49%0.09437%0.372CS..Hα-helixtrans-63.3-39176.8-71.1176.4000112Y135 T145 I148 G149 M152 S193 E194 L199Y135-L196 HydrophobicContact CD2-CD1 3.66Å; Y135-L196 HydrophobicContact CE2-CD1 3.61Å; T145-L196 HydrophobicContact CG2-CD2 3.95Å; I148-L196 HydrophobicContact CG2-CD1 3.89Å; I148-L196 HydrophobicContact CG2-CD2 4.41Å; G149-L196 WeakPolarHBondContact CA-O 3.38Å; M152-L196 HydrophobicContact CE-CD1 4.1Å; M152-L196 HydrophobicContact SD-CB 4.3Å; M152-L196 HydrophobicContact SD-CD1 4.03Å; S193-L196 PolarHBondContact O-N 3.1Å; S193-L196 WeakPolarHBondContact OG-CG 3.44Å; S193-L196 PolarHBondContact OG-N 3.37Å; E194-L196 PolarHBondContact O-N 3.22Å; L196-L199 HydrophobicContact CD2-CD1 4.12Å
197V96.3Very high84.2Confident1 Ų168.5 Ų68.51%0.00637%0.365CS..Hα-helixtrans-66.3-41.4174.7174.50000111.3M152 N153 F192 S193 E194 D195 L199 V200 H201M152-V197 HydrophobicContact CB-CG2 3.87Å; N153-V197 HydrophobicContact CB-CG1 3.76Å; N153-V197 HydrophobicContact CB-CG2 4.09Å; F192-V197 HydrophobicContact CZ-CG2 3.87Å; S193-V197 PolarHBondContact O-N 2.91Å; E194-V197 PolarHBondContact O-N 3.31Å; D195-V197 VanDerWaalsContact C-N 3.32Å; D195-V197 PolarHBondContact O-N 3.46Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.18Å; V197-V200 VanDerWaalsContact O-CB 3.23Å; V197-V200 WeakPolarHBondContact O-CB 3.47Å; V197-V200 WeakPolarHBondContact O-CG2 3.46Å; V197-V200 PolarHBondContact O-N 3.17Å; V197-V200 VanDerWaalsContact O-N 3.1Å; V197-H201 PolarHBondContact O-CD2 3.3Å
198N93.4Very high81.6Confident78 Ų7869.5 Ų69.542%0.41736%0.358SS..Hα-helixtrans-66.5-29.7179.8-73-32.6000113.7E194 D195 V200 H201 S202E194-N198 WeakPolarHBondContact O-CB 3.46Å; E194-N198 VanDerWaalsContact O-CG 3.26Å; E194-N198 PolarHBondContact O-N 3.08Å; E194-N198 PolarHBondContact O-ND2 3.47Å; E194-N198 VanDerWaalsContact O-ND2 3.17Å; D195-N198 PolarHBondContact O-N 3.43Å; N198-V200 PolarHBondContact O-N 3.03Å; N198-H201 PolarHBondContact O-N 3.02Å; N198-H201 VanDerWaalsContact O-N 3.08Å; N198-S202 PolarHBondContact O-N 3.19Å
199L88.8Confident79.4Confident68 Ų6870.9 Ų70.936%0.35637%0.37SS..Hα-helixtrans-58.3-29172.1-72.7174.9000112.8D195 L196 V197 S202 Q203D195-L199 WeakPolarHBondContact O-CG 3.5Å; D195-L199 PolarHBondContact O-N 3Å; L196-L199 HydrophobicContact CD2-CD1 4.12Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.18Å; L199-S202 PolarHBondContact O-OG 3.31Å; L199-Q203 PolarHBondContact O-N 3.01Å
200V79.8Confident77Confident0 Ų070.2 Ų70.20%037%0.372CS..Hα-helixtrans-65.6-46.7175.2179.70000110.7Y146 E150 V197 N198 S202 Q203 K204Y146-V200 HydrophobicContact CD2-CB 4.48Å; Y146-V200 HydrophobicContact CD2-CG2 4.27Å; Y146-V200 HydrophobicContact CE2-CB 4.15Å; Y146-V200 HydrophobicContact CE2-CG1 3.88Å; Y146-V200 HydrophobicContact CE2-CG2 4.27Å; E150-V200 HydrophobicContact CB-CG2 4.39Å; E150-V200 HydrophobicContact CG-CB 4.39Å; E150-V200 HydrophobicContact CG-CG1 3.75Å; E150-V200 HydrophobicContact CG-CG2 3.72Å; E150-V200 WeakPolarHBondContact OE1-CG1 3.39Å; V197-V200 VanDerWaalsContact O-CB 3.23Å; V197-V200 WeakPolarHBondContact O-CB 3.47Å; V197-V200 WeakPolarHBondContact O-CG2 3.46Å; V197-V200 PolarHBondContact O-N 3.17Å; V197-V200 VanDerWaalsContact O-N 3.1Å; N198-V200 PolarHBondContact O-N 3.03Å; V200-S202 PolarHBondContact O-N 3.22Å; V200-Q203 PolarHBondContact O-N 2.98Å; V200-K204 HydrophobicContact CG1-CD 4.03Å; V200-K204 PolarHBondContact O-N 2.75Å; V200-K204 VanDerWaalsContact O-N 3.12Å
201H75.2Confident74.7Confident86 Ų8673.9 Ų73.940%0.39840%0.399SS..Hα-helixtrans-67.3-37-174.1-66-65000111.7V197 N198 K204 N205V197-H201 PolarHBondContact O-CD2 3.3Å; N198-H201 PolarHBondContact O-N 3.02Å; N198-H201 VanDerWaalsContact O-N 3.08Å; H201-K204 PolarHBondContact O-N 3.39Å; H201-N205 PolarHBondContact O-N 3.49Å; H201-N205 PolarHBondContact O-ND2 3.38Å
202S75.1Confident72.4Confident62 Ų6276.2 Ų76.243%0.43441%0.405SS..Hα-helixtrans-65.8-40.9176.664.20000112.7N198 L199 V200 N205 T206N198-S202 PolarHBondContact O-N 3.19Å; L199-S202 PolarHBondContact O-OG 3.31Å; V200-S202 PolarHBondContact O-N 3.22Å; S202-N205 PolarHBondContact O-N 3.49Å; S202-T206 PolarHBondContact O-N 3.12Å; S202-T206 PolarHBondContact O-OG1 3.4Å
203Q66.8Low70Confident78 Ų7881.2 Ų81.236%0.36443%0.427SS..Hα-helixtrans-73.7-28.3178.4-68.5-169.612.200114Y146 L199 V200 T206 K207Y146-Q203 HydrophobicContact CD2-CB 4.43Å; Y146-Q203 HydrophobicContact CE2-CB 4.21Å; L199-Q203 PolarHBondContact O-N 3.01Å; V200-Q203 PolarHBondContact O-N 2.98Å; Q203-T206 WeakPolarHBondContact CA-OG1 2.96Å; Q203-T206 PolarHBondContact O-OG1 3.04Å; Q203-K207 PolarHBondContact O-N 3.25Å
204K62Low67.4Low85 Ų8587.7 Ų87.737%0.3746%0.458SS..Hα-helixtrans-68.2-39172.4-76176-179.91640111E150 V200 H201 N208E150-K204 IonicContact OE1-NZ 3.97Å; E150-K204 PolarHBondContact OE1-NZ 3.41Å; E150-K204 WeakPolarHBondContact OE2-CE 3.47Å; E150-K204 IonicContact OE2-NZ 2.68Å; E150-K204 PolarHBondContact OE2-NZ 3.46Å; V200-K204 HydrophobicContact CG1-CD 4.03Å; V200-K204 PolarHBondContact O-N 2.75Å; V200-K204 VanDerWaalsContact O-N 3.12Å; H201-K204 PolarHBondContact O-N 3.39Å; K204-N208 PolarHBondContact O-N 2.83Å; K204-N208 VanDerWaalsContact O-N 3.13Å
205N53.9Low65Low112 Ų11289.6 Ų89.660%0.59950%0.503SS*.Hα-helixtrans-68-37.3178.7-72.6-20.5000112.9H201 S202 N208 S209H201-N205 PolarHBondContact O-N 3.49Å; H201-N205 PolarHBondContact O-ND2 3.38Å; S202-N205 PolarHBondContact O-N 3.49Å; N205-N208 PolarHBondContact O-N 3.21Å; N205-S209 PolarHBondContact O-N 3.13Å; N205-S209 PolarHBondContact O-OG 3.47Å
206T58.7Low63.4Low73 Ų7387.8 Ų87.845%0.44849%0.494SS..Hα-helixtrans-69-42.2176.849.80000112.7S202 Q203 N208 S209 D210S202-T206 PolarHBondContact O-N 3.12Å; S202-T206 PolarHBondContact O-OG1 3.4Å; Q203-T206 WeakPolarHBondContact CA-OG1 2.96Å; Q203-T206 PolarHBondContact O-OG1 3.04Å; T206-N208 VanDerWaalsContact C-N 3.32Å; T206-N208 PolarHBondContact O-N 3.28Å; T206-S209 WeakPolarHBondContact CA-OG 3.5Å; T206-S209 PolarHBondContact O-N 3.41Å; T206-S209 PolarHBondContact O-OG 2.98Å; T206-D210 PolarHBondContact O-N 3.01Å
207K52.3Low61.7Low134 Ų13491.5 Ų91.558%0.58352%0.516SS*.Hα-helixtrans-62.6-37.7174.7-72.3-178.1-179.7177.70112.4Q203 S211Q203-K207 PolarHBondContact O-N 3.25Å; K207-S211 WeakPolarHBondContact O-CB 3.38Å; K207-S211 PolarHBondContact O-N 2.68Å; K207-S211 VanDerWaalsContact O-N 3.13Å; K207-S211 PolarHBondContact O-OG 3.13Å
208N42.2Very low59.8Low104 Ų10496.5 Ų96.556%0.55654%0.544SS*.Hα-helixtrans-69-36.6175-78.4-8.4000112.4K204 N205 T206 L212K204-N208 PolarHBondContact O-N 2.83Å; K204-N208 VanDerWaalsContact O-N 3.13Å; N205-N208 PolarHBondContact O-N 3.21Å; T206-N208 VanDerWaalsContact C-N 3.32Å; T206-N208 PolarHBondContact O-N 3.28Å; N208-L212 WeakPolarHBondContact O-CD1 3.44Å; N208-L212 WeakPolarHBondContact O-CG 3.38Å; N208-L212 PolarHBondContact O-N 3.39Å
209S49.1Very low57.8Low53 Ų5397.6 Ų97.637%0.37155%0.551SS.*Hα-helixtrans-70.8-32.7176.258.30000113.7N205 T206 L212N205-S209 PolarHBondContact O-N 3.13Å; N205-S209 PolarHBondContact O-OG 3.47Å; T206-S209 WeakPolarHBondContact CA-OG 3.5Å; T206-S209 PolarHBondContact O-N 3.41Å; T206-S209 PolarHBondContact O-OG 2.98Å; S209-L212 PolarHBondContact O-N 3.37Å
210D48.3Very low55.8Low101 Ų10199.4 Ų99.454%0.5456%0.563SS.*Hα-helixtrans-74.6-32.4177-69.1-21.6000111.7T206 L212 K213T206-D210 PolarHBondContact O-N 3.01Å; D210-L212 PolarHBondContact O-N 3.3Å; D210-K213 PolarHBondContact O-N 3.33Å
211S49.3Very low54.2Low87 Ų87106.1 Ų106.161%0.60860%0.601SS**Hα-helixtrans-65.3-27.3172.6-52.50000112.7K207K207-S211 WeakPolarHBondContact O-CB 3.38Å; K207-S211 PolarHBondContact O-N 2.68Å; K207-S211 VanDerWaalsContact O-N 3.13Å; K207-S211 PolarHBondContact O-OG 3.13Å
212L46.7Very low52.7Low144 Ų144107.5 Ų107.575%0.75462%0.616SS**THydrogen-bonded Turntrans-84.6-8.8179.5-74.4163.6000113.7N208 S209 D210N208-L212 WeakPolarHBondContact O-CD1 3.44Å; N208-L212 WeakPolarHBondContact O-CG 3.38Å; N208-L212 PolarHBondContact O-N 3.39Å; S209-L212 PolarHBondContact O-N 3.37Å; D210-L212 PolarHBondContact O-N 3.3Å
213K46.2Very low51Low174 Ų174111 Ų11176%0.75763%0.63SS**THydrogen-bonded Turntrans-100.85.6178.7-75.3-174.2177.41780114.4D210D210-K213 PolarHBondContact O-N 3.33Å
214L42.8Very low49.7Very low165 Ų165113.8 Ų113.886%0.86465%0.652SS**  trans-114.616.8178.9-83.2154.6000113.5
215G45Very low48.6Very low133 Ų133116.4 Ų116.4100%1.37168%0.677SS**  trans-108.40166.200000111

Retrieved 215 of 215 residues in 66.9 ms (Link to these results)

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