A0A087YIW3_POEFO Loading...

NADP-retinol dehydrogenase

AlphaFold DB , UniProt , Accession A0A087YIW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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
1V70.6Confident73.3Confident153 Ų153105.1 Ų105.193%0.92758%0.583SS**  0-57.80-173.20000111.9F3 V4 L5V1-F3 PolarHBondContact O-N 3.44Å; V1-V4 PolarHBondContact O-N 3.19Å; V1-L5 HydrophobicContact CG1-CD1 4.07Å; V1-L5 PolarHBondContact O-N 3.3Å
2M72.9Confident73.8Confident152 Ų15299.7 Ų99.775%0.74957%0.569SS**Hα-helixtrans-57.5-40.9-178.7-167.9171.170.200114.8V4 L5 L6M2-V4 PolarHBondContact O-N 3.23Å; M2-L5 PolarHBondContact O-N 3.45Å; M2-L6 PolarHBondContact O-N 3.11Å; M2-L6 VanDerWaalsContact O-N 3.15Å
3F69.5Low74.3Confident154 Ų15498.6 Ų98.668%0.67557%0.565SS**Hα-helixtrans-64.1-38.9177.6-175.3-106.9000113.4V1 L6 I7V1-F3 PolarHBondContact O-N 3.44Å; F3-L6 PolarHBondContact O-N 2.7Å; F3-I7 HydrophobicContact CD1-CD1 3.88Å; F3-I7 HydrophobicContact CE1-CD1 3.48Å; F3-I7 VanDerWaalsContact CE1-CD1 3.48Å; F3-I7 HydrophobicContact CZ-CD1 3.91Å; F3-I7 WeakPolarHBondContact O-CG1 2.93Å; F3-I7 PolarHBondContact O-N 2.89Å
4V73.9Confident74.5Confident84 Ų8497.8 Ų97.851%0.50956%0.562SS.*Hα-helixtrans-69.6-38.7178.6176.70000110.9V1 M2 L6 I7 I8V1-V4 PolarHBondContact O-N 3.19Å; M2-V4 PolarHBondContact O-N 3.23Å; V4-L6 VanDerWaalsContact C-N 3.34Å; V4-L6 PolarHBondContact O-N 3.35Å; V4-I7 PolarHBondContact O-N 2.84Å; V4-I8 HydrophobicContact CG1-CD1 3.87Å; V4-I8 HydrophobicContact CG1-CG1 4.49Å; V4-I8 WeakPolarHBondContact O-CG1 3.24Å; V4-I8 PolarHBondContact O-N 3.16Å
5L72.8Confident74.6Confident109 Ų10996.5 Ų96.557%0.57156%0.557SS**Hα-helixtrans-64.4-37.4175.8-72.9167.3000112.5V1 M2 I8 A9V1-L5 HydrophobicContact CG1-CD1 4.07Å; V1-L5 PolarHBondContact O-N 3.3Å; M2-L5 PolarHBondContact O-N 3.45Å; L5-I8 PolarHBondContact O-N 3.35Å; L5-A9 VanDerWaalsContact O-CB 3.29Å; L5-A9 WeakPolarHBondContact O-CB 3.39Å; L5-A9 PolarHBondContact O-N 3.34Å
6L71.6Confident74.8Confident117 Ų11796.8 Ų96.861%0.61356%0.555SS**Hα-helixtrans-65.4-39.5174.7-77163.4000112.3M2 F3 V4 G10M2-L6 PolarHBondContact O-N 3.11Å; M2-L6 VanDerWaalsContact O-N 3.15Å; F3-L6 PolarHBondContact O-N 2.7Å; V4-L6 VanDerWaalsContact C-N 3.34Å; V4-L6 PolarHBondContact O-N 3.35Å; L6-G10 PolarHBondContact O-N 3.48Å
7I75.6Confident75Confident82 Ų8295.9 Ų95.942%0.42155%0.548SS..Hα-helixtrans-65.4-45.5175.3-68.9170.1000110.9F3 V4 G10 L11F3-I7 HydrophobicContact CD1-CD1 3.88Å; F3-I7 HydrophobicContact CE1-CD1 3.48Å; F3-I7 VanDerWaalsContact CE1-CD1 3.48Å; F3-I7 HydrophobicContact CZ-CD1 3.91Å; F3-I7 WeakPolarHBondContact O-CG1 2.93Å; F3-I7 PolarHBondContact O-N 2.89Å; V4-I7 PolarHBondContact O-N 2.84Å; I7-G10 PolarHBondContact O-N 3.46Å; I7-L11 HydrophobicContact CG2-CD1 3.91Å; I7-L11 WeakPolarHBondContact O-CB 3.47Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 2.92Å
8I75.9Confident75Confident104 Ų10495.5 Ų95.553%0.53355%0.547SS..Hα-helixtrans-63.7-43.6178.6-67.3168.2000110.7V4 L5 L11 G12V4-I8 HydrophobicContact CG1-CD1 3.87Å; V4-I8 HydrophobicContact CG1-CG1 4.49Å; V4-I8 WeakPolarHBondContact O-CG1 3.24Å; V4-I8 PolarHBondContact O-N 3.16Å; L5-I8 PolarHBondContact O-N 3.35Å; I8-L11 PolarHBondContact O-N 3.42Å; I8-G12 PolarHBondContact O-N 2.94Å
9A74.2Confident75.1Confident58 Ų5896.4 Ų96.448%0.47955%0.549SS..Hα-helixtrans-63.3-42.3175.800000111.8L5 G12 V13L5-A9 VanDerWaalsContact O-CB 3.29Å; L5-A9 WeakPolarHBondContact O-CB 3.39Å; L5-A9 PolarHBondContact O-N 3.34Å; A9-G12 PolarHBondContact O-N 2.85Å; A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 2.81Å
10G73.4Confident75.4Confident37 Ų3796.6 Ų96.638%0.38155%0.548SS..Hα-helixtrans-61.1-45.5174.900000112.8L6 I7 G12 V13 V14L6-G10 PolarHBondContact O-N 3.48Å; I7-G10 PolarHBondContact O-N 3.46Å; G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 3.04Å; G10-V13 PolarHBondContact O-N 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.31Å; G10-V14 PolarHBondContact O-N 3.27Å
11L76.2Confident75.6Confident106 Ų10697.6 Ų97.656%0.55555%0.546SS*.Hα-helixtrans-62.2-39.2174-77.7163.4000112I7 I8 V14 T15I7-L11 HydrophobicContact CG2-CD1 3.91Å; I7-L11 WeakPolarHBondContact O-CB 3.47Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 2.92Å; I8-L11 PolarHBondContact O-N 3.42Å; L11-V14 PolarHBondContact O-N 3.37Å; L11-T15 VanDerWaalsContact O-CB 3.31Å; L11-T15 WeakPolarHBondContact O-CB 3.46Å; L11-T15 PolarHBondContact O-N 3.47Å; L11-T15 PolarHBondContact O-OG1 3.27Å
12G78.8Confident75.7Confident40 Ų4091.7 Ų91.741%0.41251%0.513SS..Hα-helixtrans-62.8-44.6175.400000112.8I8 A9 G10 T15 L16I8-G12 PolarHBondContact O-N 2.94Å; A9-G12 PolarHBondContact O-N 2.85Å; G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 3.04Å; G12-T15 PolarHBondContact O-N 2.78Å; G12-L16 WeakPolarHBondContact O-CB 3.27Å; G12-L16 PolarHBondContact O-N 3.21Å
13V80.6Confident75.7Confident86 Ų8688.1 Ų88.152%0.52150%0.501SS..Hα-helixtrans-64.9-45.7176.4172.20000111.3A9 G10 T15 L16 L17A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 2.81Å; G10-V13 PolarHBondContact O-N 3.31Å; V13-T15 VanDerWaalsContact C-N 3.33Å; V13-T15 PolarHBondContact O-N 3.3Å; V13-L16 PolarHBondContact O-N 3.07Å; V13-L17 HydrophobicContact CG1-CD1 3.95Å; V13-L17 HydrophobicContact CG1-CG 4.37Å; V13-L17 WeakPolarHBondContact O-CB 3.25Å; V13-L17 VanDerWaalsContact O-CG 3.26Å; V13-L17 WeakPolarHBondContact O-CG 3.39Å; V13-L17 PolarHBondContact O-N 3.29Å
14V76.4Confident76Confident87 Ų8786.7 Ų86.753%0.52750%0.496SS..Hα-helixtrans-60.5-44.3176.2171.50000110.9G10 L11 L16 L17 V18G10-V14 WeakPolarHBondContact O-CG2 3.31Å; G10-V14 PolarHBondContact O-N 3.27Å; L11-V14 PolarHBondContact O-N 3.37Å; V14-L16 PolarHBondContact O-N 3.41Å; V14-L17 PolarHBondContact O-N 3.05Å; V14-V18 HydrophobicContact CG1-CG2 4.5Å; V14-V18 WeakPolarHBondContact O-CG2 3.23Å; V14-V18 PolarHBondContact O-N 3.45Å
15T76Confident75.9Confident78 Ų7885.8 Ų85.848%0.47949%0.488SS..Hα-helixtrans-62.9-43.7178.3-55.90000111.4L11 G12 V13 V18 I19L11-T15 VanDerWaalsContact O-CB 3.31Å; L11-T15 WeakPolarHBondContact O-CB 3.46Å; L11-T15 PolarHBondContact O-N 3.47Å; L11-T15 PolarHBondContact O-OG1 3.27Å; G12-T15 PolarHBondContact O-N 2.78Å; V13-T15 VanDerWaalsContact C-N 3.33Å; V13-T15 PolarHBondContact O-N 3.3Å; T15-V18 PolarHBondContact O-N 3.06Å; T15-I19 HydrophobicContact CG2-CD1 4.01Å; T15-I19 WeakPolarHBondContact O-CG1 3.5Å; T15-I19 PolarHBondContact O-N 2.88Å
16L78.9Confident76.1Confident101 Ų10183.9 Ų83.953%0.52947%0.474SS..Hα-helixtrans-62.9-43.3176.5-176.966.7000111.7G12 V13 V14 I19 L20G12-L16 WeakPolarHBondContact O-CB 3.27Å; G12-L16 PolarHBondContact O-N 3.21Å; V13-L16 PolarHBondContact O-N 3.07Å; V14-L16 PolarHBondContact O-N 3.41Å; L16-I19 PolarHBondContact O-N 2.98Å; L16-L20 HydrophobicContact CD1-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CG 4.39Å; L16-L20 HydrophobicContact CG-CD1 3.92Å; L16-L20 HydrophobicContact CG-CG 4.46Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.2Å; L16-L20 PolarHBondContact O-N 3.5Å
17L78.3Confident76.1Confident82 Ų8288 Ų8843%0.42948%0.481SS..Hα-helixtrans-62.4-43.3175.4-70.5171.4000111.3V13 V14 I19 L20 F21V13-L17 HydrophobicContact CG1-CD1 3.95Å; V13-L17 HydrophobicContact CG1-CG 4.37Å; V13-L17 WeakPolarHBondContact O-CB 3.25Å; V13-L17 VanDerWaalsContact O-CG 3.26Å; V13-L17 WeakPolarHBondContact O-CG 3.39Å; V13-L17 PolarHBondContact O-N 3.29Å; V14-L17 PolarHBondContact O-N 3.05Å; L17-I19 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 2.68Å; L17-F21 HydrophobicContact CB-CD2 4.43Å; L17-F21 HydrophobicContact CD2-CD2 4.18Å; L17-F21 HydrophobicContact CD2-CE2 3.74Å; L17-F21 WeakPolarHBondContact O-CB 3.26Å; L17-F21 VanDerWaalsContact O-CD2 3.27Å; L17-F21 WeakPolarHBondContact O-CD2 3.21Å; L17-F21 PolarHBondContact O-N 2.9Å
18V73.8Confident76Confident89 Ų8994 Ų9454%0.53950%0.499SS..Hα-helixtrans-60-46.8174.6170.40000110.5V14 T15 L20 A22V14-V18 HydrophobicContact CG1-CG2 4.5Å; V14-V18 WeakPolarHBondContact O-CG2 3.23Å; V14-V18 PolarHBondContact O-N 3.45Å; T15-V18 PolarHBondContact O-N 3.06Å; V18-L20 PolarHBondContact O-N 3.33Å; V18-A22 WeakPolarHBondContact O-CA 3.18Å; V18-A22 WeakPolarHBondContact O-CB 3.29Å; V18-A22 PolarHBondContact O-N 3.09Å
19I77.1Confident75.9Confident113 Ų11389.9 Ų89.958%0.57948%0.482SS*.Hα-helixtrans-62.5-42.6179.1-68.9167.4000111.6T15 L16 L17 P23T15-I19 HydrophobicContact CG2-CD1 4.01Å; T15-I19 WeakPolarHBondContact O-CG1 3.5Å; T15-I19 PolarHBondContact O-N 2.88Å; L16-I19 PolarHBondContact O-N 2.98Å; L17-I19 PolarHBondContact O-N 3.31Å; I19-P23 WeakPolarHBondContact O-CD 3.31Å
20L81.5Confident76.1Confident100 Ų10088 Ų8852%0.52447%0.466SS..Hα-helixtrans-70.1-41.7-178.7-73.1171.3000112.5L16 L17 V18 H24L16-L20 HydrophobicContact CD1-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CG 4.39Å; L16-L20 HydrophobicContact CG-CD1 3.92Å; L16-L20 HydrophobicContact CG-CG 4.46Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.2Å; L16-L20 PolarHBondContact O-N 3.5Å; L17-L20 PolarHBondContact O-N 2.68Å; V18-L20 PolarHBondContact O-N 3.33Å; L20-H24 PolarHBondContact O-CD2 3.46Å
21F79.3Confident76.6Confident118 Ų11887.6 Ų87.652%0.51846%0.462SS..Hα-helixtrans-93.3-21.6-174.8-71.6-76.2000114L17 P23 H24 I25L17-F21 HydrophobicContact CB-CD2 4.43Å; L17-F21 HydrophobicContact CD2-CD2 4.18Å; L17-F21 HydrophobicContact CD2-CE2 3.74Å; L17-F21 WeakPolarHBondContact O-CB 3.26Å; L17-F21 VanDerWaalsContact O-CD2 3.27Å; L17-F21 WeakPolarHBondContact O-CD2 3.21Å; L17-F21 PolarHBondContact O-N 2.9Å; F21-P23 VanDerWaalsContact C-CD 3.5Å; F21-H24 WeakPolarHBondContact O-CB 3.47Å; F21-H24 PolarHBondContact O-N 2.68Å; F21-H24 VanDerWaalsContact O-N 3.08Å; F21-I25 HydrophobicContact CB-CD1 4.12Å; F21-I25 WeakPolarHBondContact O-CG1 3.12Å; F21-I25 PolarHBondContact O-N 3.35Å
22A73.9Confident77.2Confident28 Ų2884.4 Ų84.423%0.23145%0.451CS..Hα-helixtrans-55.3-41.7-179.800000113.9V18 H24 I25 R26V18-A22 WeakPolarHBondContact O-CA 3.18Å; V18-A22 WeakPolarHBondContact O-CB 3.29Å; V18-A22 PolarHBondContact O-N 3.09Å; A22-H24 VanDerWaalsContact C-N 3.31Å; A22-H24 PolarHBondContact O-N 2.98Å; A22-I25 PolarHBondContact O-N 3.33Å; A22-R26 WeakPolarHBondContact O-CB 3.36Å; A22-R26 PolarHBondContact O-N 3.09Å
23P73.1Confident77.8Confident77 Ų7786.7 Ų86.750%0.546%0.456SS..Hα-helixtrans-63-37176.6-22.933.6000113I19 F21 R27I19-P23 WeakPolarHBondContact O-CD 3.31Å; F21-P23 VanDerWaalsContact C-CD 3.5Å; P23-R27 WeakPolarHBondContact O-CB 3.35Å; P23-R27 PolarHBondContact O-N 3.24Å
24H74.9Confident78.5Confident124 Ų12483.1 Ų83.157%0.57444%0.435SS*.Hα-helixtrans-70.6-43.8177.4-67.9-76.5000111.4L20 F21 A22 R27 Y28L20-H24 PolarHBondContact O-CD2 3.46Å; F21-H24 WeakPolarHBondContact O-CB 3.47Å; F21-H24 PolarHBondContact O-N 2.68Å; F21-H24 VanDerWaalsContact O-N 3.08Å; A22-H24 VanDerWaalsContact C-N 3.31Å; A22-H24 PolarHBondContact O-N 2.98Å; H24-R27 PolarHBondContact O-N 2.83Å; H24-Y28 WeakPolarHBondContact O-CB 3.08Å; H24-Y28 PolarHBondContact O-N 3.04Å
25I72.4Confident79.4Confident66 Ų6688.1 Ų88.134%0.33845%0.45SS..Hα-helixtrans-64.9-41.6176.2-62.1163.6000110.6F21 A22 R27 Y28 A29 F257F21-I25 HydrophobicContact CB-CD1 4.12Å; F21-I25 WeakPolarHBondContact O-CG1 3.12Å; F21-I25 PolarHBondContact O-N 3.35Å; A22-I25 PolarHBondContact O-N 3.33Å; I25-R27 PolarHBondContact O-N 3.29Å; I25-Y28 PolarHBondContact O-N 2.89Å; I25-A29 VanDerWaalsContact O-CB 3.25Å; I25-A29 WeakPolarHBondContact O-CB 3.24Å; I25-A29 PolarHBondContact O-N 2.74Å; I25-F257 HydrophobicContact CB-CE1 4.43Å; I25-F257 HydrophobicContact CD1-CE1 4.34Å; I25-F257 HydrophobicContact CG2-CD1 3.37Å; I25-F257 HydrophobicContact CG2-CE1 3.32Å; I25-F257 HydrophobicContact CG2-CZ 4.44Å
26R76.9Confident80.3Confident69 Ų6985.4 Ų85.426%0.2643%0.434SS..Hα-helixtrans-62.2-43.2176179.864.5-176.393.112.6111.8A22 A29 A30 V256 E263A22-R26 WeakPolarHBondContact O-CB 3.36Å; A22-R26 PolarHBondContact O-N 3.09Å; R26-A29 PolarHBondContact O-N 3.19Å; R26-A30 WeakPolarHBondContact O-CB 3.42Å; R26-A30 PolarHBondContact O-N 2.6Å; R26-V256 HydrophobicContact CB-CG1 4.47Å; R26-V256 WeakPolarHBondContact CD-O 3.36Å; R26-E263 IonicContact CZ-OE1 2.7Å; R26-E263 VanDerWaalsContact CZ-OE1 3.32Å; R26-E263 IonicContact CZ-OE2 3.2Å; R26-E263 VanDerWaalsContact NH1-CD 3.31Å; R26-E263 IonicContact NH1-OE1 3.61Å; R26-E263 PolarHBondContact NH1-OE1 3.42Å; R26-E263 VanDerWaalsContact NH1-OE1 3.1Å; R26-E263 IonicContact NH1-OE2 3.32Å; R26-E263 PolarHBondContact NH1-OE2 3.04Å; R26-E263 IonicContact NH2-OE1 3.1Å; R26-E263 PolarHBondContact NH2-OE1 3.39Å; R26-E263 IonicContact NH2-OE2 2.76Å; R26-E263 PolarHBondContact NH2-OE2 3.19Å
27R72Confident81.1Confident202 Ų20286.7 Ų86.776%0.76245%0.446SS*.Hα-helixtrans-62-42.7174.2-94.8-177.6158.2170.7-4.4112.1P23 H24 I25 A30P23-R27 WeakPolarHBondContact O-CB 3.35Å; P23-R27 PolarHBondContact O-N 3.24Å; H24-R27 PolarHBondContact O-N 2.83Å; I25-R27 PolarHBondContact O-N 3.29Å; R27-A30 PolarHBondContact O-N 3.31Å
28Y73Confident82Confident208 Ų20883.5 Ų83.582%0.81643%0.432SS*.Hα-helixtrans-65.4-44175.7-175.9-96.2000111.4H24 I25 A30 G31H24-Y28 WeakPolarHBondContact O-CB 3.08Å; H24-Y28 PolarHBondContact O-N 3.04Å; I25-Y28 PolarHBondContact O-N 2.89Å; Y28-A30 VanDerWaalsContact C-N 3.33Å; Y28-A30 PolarHBondContact O-N 2.89Å; Y28-G31 PolarHBondContact O-N 3Å
29A74.1Confident83.1Confident19 Ų1985.2 Ų85.216%0.15743%0.429CS..Hα-helixtrans-64.3-34.4177.500000112.9I25 R26 G31 K259I25-A29 VanDerWaalsContact O-CB 3.25Å; I25-A29 WeakPolarHBondContact O-CB 3.24Å; I25-A29 PolarHBondContact O-N 2.74Å; R26-A29 PolarHBondContact O-N 3.19Å; A29-G31 PolarHBondContact O-N 3.01Å; A29-K259 WeakPolarHBondContact O-CE 3.45Å; A29-K259 WeakPolarHBondContact O-CG 3.4Å
30A78.4Confident84.1Confident18 Ų1880.5 Ų80.515%0.14941%0.405CS..Hα-helixtrans-59.2-27.2176.900000112.8R26 R27 Y28 K259 E263R26-A30 WeakPolarHBondContact O-CB 3.42Å; R26-A30 PolarHBondContact O-N 2.6Å; R27-A30 PolarHBondContact O-N 3.31Å; Y28-A30 VanDerWaalsContact C-N 3.33Å; Y28-A30 PolarHBondContact O-N 2.89Å; A30-K259 WeakPolarHBondContact O-CE 3.06Å; A30-E263 VanDerWaalsContact CB-CD 3.45Å; A30-E263 HydrophobicContact CB-CG 4.07Å; A30-E263 WeakPolarHBondContact CB-OE1 3.02Å
31G82.7Confident84.9Confident29 Ų2980.4 Ų80.430%0.29941%0.405SS..  trans72.1-164.5179.600000113.3Y28 A29 D287Y28-G31 PolarHBondContact O-N 3Å; A29-G31 PolarHBondContact O-N 3.01Å; G31-D287 WeakPolarHBondContact CA-OD1 3.48Å
32A88.7Confident85.8Confident39 Ų3978.2 Ų78.232%0.32242%0.415SS..  trans-87.2152-179.700000112.4Q266 D287 C288A32-Q266 WeakPolarHBondContact O-CB 3.28Å; A32-D287 HydrophobicContact CB-CB 3.99Å; A32-D287 WeakPolarHBondContact CB-O 3.37Å; A32-D287 PolarHBondContact N-OD1 2.88Å; A32-C288 HydrophobicContact CB-CB 4.27Å
33V92.3Very high87Confident87 Ų8780.2 Ų80.253%0.52742%0.419SS..  trans-107143178.7-179.80000109.5K35 Q266V33-K35 PolarHBondContact O-N 3.43Å; V33-Q266 HydrophobicContact CB-CG 4.43Å; V33-Q266 HydrophobicContact CG1-CG 4.33Å; V33-Q266 VanDerWaalsContact CG1-OE1 3.22Å; V33-Q266 HydrophobicContact CG2-CG 4.44Å
34C95Very high88.2Confident12 Ų1277.2 Ų77.28%0.08140%0.399CS..  trans-65.7119.5173.9-177.10000109.6V269 Y270C34-V269 HydrophobicContact CB-CB 4.43Å; C34-V269 HydrophobicContact CB-CG1 4.02Å; C34-Y270 VanDerWaalsContact SG-CA 3.58Å
35K94.9Very high89.3Confident192 Ų19271.3 Ų71.384%0.83537%0.372SS*.  trans-96.3-3-179.6-61-174.3-177.8178.30113.9V33 T37V33-K35 PolarHBondContact O-N 3.43Å; K35-T37 PolarHBondContact O-N 3.47Å
36S95.6Very high90.6Very high21 Ų2168.2 Ų68.215%0.14736%0.355CS..  trans-64.8134.4-179.6175.40000110.1A38 R65S36-A38 WeakPolarHBondContact OG-CB 3.25Å; S36-A38 PolarHBondContact OG-N 3.04Å; S36-R65 PolarHBondContact O-NH1 2.88Å; S36-R65 PolarHBondContact O-NH2 2.97Å
37T95.6Very high91.6Very high127 Ų12764.9 Ų64.978%0.77934%0.343SS*.  trans-97.98.2175.152.80000112.4K35 R39K35-T37 PolarHBondContact O-N 3.47Å; T37-R39 PolarHBondContact O-N 3.14Å
38A96.8Very high92.9Very high16 Ų1655.3 Ų55.313%0.13231%0.307CS..  trans-56.7134.4-176.900000111.9S36 R65 E275S36-A38 WeakPolarHBondContact OG-CB 3.25Å; S36-A38 PolarHBondContact OG-N 3.04Å; A38-R65 PolarHBondContact O-NH1 3.12Å; A38-E275 HydrophobicContact CB-CG 4.24Å
39R97.7Very high93.9Very high124 Ų12446.4 Ų46.447%0.46828%0.278SS..  trans-89.5153.1173.8-67.4-64.8-61.2173.23.5110.8T37 D41 V64 R65T37-R39 PolarHBondContact O-N 3.14Å; R39-D41 WeakPolarHBondContact CB-OD2 3.36Å; R39-D41 IonicContact CZ-OD1 3.38Å; R39-D41 IonicContact CZ-OD2 2.8Å; R39-D41 IonicContact NE-OD1 3.67Å; R39-D41 IonicContact NE-OD2 2.66Å; R39-D41 PolarHBondContact NE-OD2 2.8Å; R39-D41 IonicContact NH2-OD1 2.7Å; R39-D41 PolarHBondContact NH2-OD1 2.86Å; R39-D41 IonicContact NH2-OD2 3.42Å; R39-V64 PolarHBondContact NH1-O 3.26Å; R39-R65 PolarHBondContact NE-O 3.13Å; R39-R65 PolarHBondContact NH2-O 2.83Å
40L98.3Very high94.9Very high15 Ų1545.5 Ų45.58%0.07927%0.271CS..  trans-122.623.7-179.2-64.6178.2000111.7G42 K43 L62 R65 G66 A67 I124 V273L40-G42 PolarHBondContact O-N 2.84Å; L40-K43 HydrophobicContact CB-CB 4.14Å; L40-K43 HydrophobicContact CB-CG 4.36Å; L40-K43 HydrophobicContact CD2-CB 4.45Å; L40-K43 HydrophobicContact CD2-CG 4.28Å; L40-K43 WeakPolarHBondContact O-CA 3.39Å; L40-K43 VanDerWaalsContact O-CB 3.23Å; L40-K43 WeakPolarHBondContact O-CB 3.32Å; L40-K43 PolarHBondContact O-N 2.89Å; L40-L62 HydrophobicContact CD1-CB 4.16Å; L40-L62 HydrophobicContact CD1-CD2 3.59Å; L40-L62 HydrophobicContact CD1-CG 4.42Å; L40-R65 HydrophobicContact CB-CB 4.24Å; L40-R65 HydrophobicContact CD1-CB 4.11Å; L40-R65 HydrophobicContact CG-CB 4.09Å; L40-R65 PolarHBondContact N-O 3.01Å; L40-G66 CarbonylContact O-C 3.53Å; L40-A67 HydrophobicContact CB-CB 3.77Å; L40-A67 HydrophobicContact CD1-CB 3.98Å; L40-I124 HydrophobicContact CD1-CD1 4.16Å; L40-I124 HydrophobicContact CD2-CD1 3.99Å; L40-V273 HydrophobicContact CD1-CG1 3.88Å; L40-V273 HydrophobicContact CD2-CG1 4.41Å; L40-V273 HydrophobicContact CG-CG1 4.41Å
41D98Very high95.4Very high98 Ų9846.4 Ų46.452%0.52427%0.273SS..THydrogen-bonded Turntrans-57127.6178.9-58.6-63000110.3R39 K43 G66R39-D41 WeakPolarHBondContact CB-OD2 3.36Å; R39-D41 IonicContact CZ-OD1 3.38Å; R39-D41 IonicContact CZ-OD2 2.8Å; R39-D41 IonicContact NE-OD1 3.67Å; R39-D41 IonicContact NE-OD2 2.66Å; R39-D41 PolarHBondContact NE-OD2 2.8Å; R39-D41 IonicContact NH2-OD1 2.7Å; R39-D41 PolarHBondContact NH2-OD1 2.86Å; R39-D41 IonicContact NH2-OD2 3.42Å; D41-K43 PolarHBondContact O-N 3.45Å; D41-G66 WeakPolarHBondContact OD1-CA 3.31Å
42G97.2Very high95.7Very high71 Ų7147.2 Ų47.273%0.73227%0.272SS*.THydrogen-bonded Turntrans75.7-1.2-175.100000115.2L40L40-G42 PolarHBondContact O-N 2.84Å
43K98.5Very high95.8Very high71 Ų7146 Ų4631%0.30926%0.264SS..  trans-88.1148.2174.9-54.9-66.9175.1-178.10110.7L40 D41 R68 H123L40-K43 HydrophobicContact CB-CB 4.14Å; L40-K43 HydrophobicContact CB-CG 4.36Å; L40-K43 HydrophobicContact CD2-CB 4.45Å; L40-K43 HydrophobicContact CD2-CG 4.28Å; L40-K43 WeakPolarHBondContact O-CA 3.39Å; L40-K43 VanDerWaalsContact O-CB 3.23Å; L40-K43 WeakPolarHBondContact O-CB 3.32Å; L40-K43 PolarHBondContact O-N 2.89Å; D41-K43 PolarHBondContact O-N 3.45Å; K43-R68 PolarHBondContact O-N 3.32Å; K43-H123 HydrophobicContact CB-CB 4.24Å; K43-H123 HydrophobicContact CD-CB 3.99Å; K43-H123 WeakPolarHBondContact CD-CD2 3.44Å; K43-H123 VanDerWaalsContact CD-CG 3.46Å; K43-H123 WeakPolarHBondContact CD-NE2 3.46Å; K43-H123 PolarHBondContact NZ-CD2 3.43Å; K43-H123 VanDerWaalsContact NZ-CD2 3.34Å; K43-H123 PolarHBondContact NZ-NE2 3.39Å
44T98.9Very high95.8Very high14 Ų1442.8 Ų42.89%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-116.4131.6177.8-61.50000108.8R68 I70 V119 H121 H123 I124T44-R68 WeakPolarHBondContact CA-O 3.39Å; T44-I70 HydrophobicContact CG2-CD1 3.79Å; T44-I70 HydrophobicContact CG2-CG1 4.36Å; T44-V119 HydrophobicContact CG2-CG1 4.01Å; T44-H121 WeakPolarHBondContact CB-O 3.25Å; T44-H123 PolarHBondContact N-ND1 2.95Å; T44-H123 PolarHBondContact O-N 3.3Å; T44-I124 PolarHBondContact O-N 2.94Å
45V98.9Very high95.9Very high0 Ų042.2 Ų42.20%024%0.24CC..EExtended strand (participates in β ladder)trans-122.2133.5-176-177.20000108.6I47 L62 A67 R68 V69 I70 I124 I126V45-I47 HydrophobicContact CG1-CD1 4.09Å; V45-I47 HydrophobicContact CG1-CG1 3.69Å; V45-L62 HydrophobicContact CG1-CD1 3.76Å; V45-L62 HydrophobicContact CG2-CD1 4.45Å; V45-A67 HydrophobicContact CG2-CB 3.66Å; V45-R68 PolarHBondContact N-O 2.79Å; V45-V69 HydrophobicContact CB-CG2 4.47Å; V45-I70 PolarHBondContact O-N 3.27Å; V45-I124 CarbonylContact C-O 3.45Å; V45-I124 VanDerWaalsContact CA-O 3.31Å; V45-I124 WeakPolarHBondContact CA-O 3.39Å; V45-I124 HydrophobicContact CB-CB 4.41Å; V45-I124 HydrophobicContact CG1-CB 4.07Å; V45-I124 HydrophobicContact CG1-CG2 4.14Å; V45-I124 HydrophobicContact CG2-CB 4.04Å; V45-I124 HydrophobicContact CG2-CD1 4.05Å; V45-I124 HydrophobicContact CG2-CG1 4.42Å; V45-I126 HydrophobicContact CG1-CD1 4.39Å
46L98.9Very high96Very high0 Ų035.8 Ų35.80%021%0.212CC..EExtended strand (participates in β ladder)trans-111.7126.6169.4175.458.6000109.3I70 A72 F111 F115 L122 I124 L125 I126 L161L46-I70 HydrophobicContact CD1-CB 4.04Å; L46-I70 HydrophobicContact CD1-CG2 3.83Å; L46-I70 WeakPolarHBondContact CD1-O 3.41Å; L46-A72 HydrophobicContact CD1-CB 3.75Å; L46-F111 HydrophobicContact CD1-CE1 4.44Å; L46-F111 HydrophobicContact CD1-CZ 3.74Å; L46-F111 HydrophobicContact CD2-CE1 3.8Å; L46-F111 HydrophobicContact CD2-CZ 3.91Å; L46-F115 HydrophobicContact CB-CE2 4.42Å; L46-F115 HydrophobicContact CB-CZ 4.3Å; L46-F115 HydrophobicContact CD1-CE2 4.13Å; L46-F115 HydrophobicContact CD2-CD2 4.44Å; L46-F115 HydrophobicContact CD2-CE2 3.96Å; L46-F115 HydrophobicContact CD2-CZ 4.11Å; L46-F115 HydrophobicContact CG-CE2 4.41Å; L46-L122 HydrophobicContact CB-CD1 3.69Å; L46-I124 PolarHBondContact N-O 3.29Å; L46-L125 HydrophobicContact CB-CD1 4.12Å; L46-L125 HydrophobicContact CD2-CD1 3.86Å; L46-L125 HydrophobicContact CG-CD1 3.93Å; L46-I126 PolarHBondContact O-N 3.39Å; L46-L161 HydrophobicContact CD2-CD1 3.48Å; L46-L161 VanDerWaalsContact CD2-CD1 3.48Å
47I98.9Very high96.1Very high0 Ų037.2 Ų37.20%022%0.216CC..EExtended strand (participates in β ladder)trans-125.8122.6179.2-48.3179.7000109.2V45 A50 T58 A59 L62 V69 I70 A72 I126 N128V45-I47 HydrophobicContact CG1-CD1 4.09Å; V45-I47 HydrophobicContact CG1-CG1 3.69Å; I47-A50 HydrophobicContact CB-CB 4.06Å; I47-A50 HydrophobicContact CG2-CB 3.87Å; I47-T58 HydrophobicContact CD1-CG2 4.15Å; I47-A59 HydrophobicContact CD1-CB 3.9Å; I47-L62 HydrophobicContact CD1-CD1 4.1Å; I47-V69 HydrophobicContact CD1-CG1 3.84Å; I47-V69 HydrophobicContact CG1-CG1 4.29Å; I47-I70 PolarHBondContact N-O 2.93Å; I47-A72 PolarHBondContact O-N 2.9Å; I47-I126 HydrophobicContact CB-CB 4.42Å; I47-I126 HydrophobicContact CD1-CD1 4.22Å; I47-I126 HydrophobicContact CG1-CB 4.19Å; I47-I126 HydrophobicContact CG1-CD1 4.12Å; I47-I126 HydrophobicContact CG1-CG1 4.29Å; I47-I126 HydrophobicContact CG2-CB 4.14Å; I47-I126 HydrophobicContact CG2-CG2 4.34Å; I47-N128 HydrophobicContact CG2-CB 4.13Å
48T98.7Very high96.2Very high1 Ų131.1 Ų31.11%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-81.7139.2172.864.80000110.9A72 L100 I126 N128 A129 H154 L157T48-A72 CarbonylContact C-O 3.55Å; T48-A72 WeakPolarHBondContact CA-O 3.47Å; T48-L100 HydrophobicContact CG2-CD2 3.91Å; T48-I126 PolarHBondContact N-O 3.27Å; T48-I126 PolarHBondContact OG1-O 3.36Å; T48-N128 VanDerWaalsContact O-CB 3.31Å; T48-N128 WeakPolarHBondContact O-CB 3.36Å; T48-N128 PolarHBondContact O-ND2 2.88Å; T48-N128 PolarHBondContact OG1-N 2.99Å; T48-A129 PolarHBondContact O-N 2.96Å; T48-A129 VanDerWaalsContact O-N 3.09Å; T48-A129 WeakPolarHBondContact OG1-CB 3.49Å; T48-A129 PolarHBondContact OG1-N 2.99Å; T48-H154 PolarHBondContact OG1-NE2 3.5Å; T48-L157 HydrophobicContact CG2-CD2 3.5Å; T48-L157 VanDerWaalsContact CG2-CD2 3.5Å
49G94.4Very high96.3Very high20 Ų2030.4 Ų30.421%0.20617%0.173CC..THydrogen-bonded Turntrans64.844.5175.700000113.3A72 N128G49-A72 PolarHBondContact N-O 3.17Å; G49-N128 PolarHBondContact O-ND2 3.28Å
50A94.4Very high96.4Very high0 Ų026.5 Ų26.50%016%0.161CC..  trans-92.75.5-175.500000114.4I47 K56 A59 M71I47-A50 HydrophobicContact CB-CB 4.06Å; I47-A50 HydrophobicContact CG2-CB 3.87Å; A50-K56 WeakPolarHBondContact O-CA 3.26Å; A50-K56 VanDerWaalsContact O-CB 3.32Å; A50-K56 WeakPolarHBondContact O-CB 3.32Å; A50-K56 PolarHBondContact O-N 3.28Å; A50-A59 HydrophobicContact CB-CB 4.34Å; A50-M71 VanDerWaalsContact C-CE 3.49Å; A50-M71 HydrophobicContact CB-CB 3.94Å; A50-M71 HydrophobicContact CB-CE 3.9Å; A50-M71 HydrophobicContact CB-CG 3.71Å; A50-M71 HydrophobicContact CB-SD 4.38Å; A50-M71 WeakPolarHBondContact O-CE 3.49Å
51N89.9Confident96.4Very high37 Ų3727.4 Ų27.420%0.19817%0.166CC..SBendtrans-73.9-24.3-17961-44.1000113.5C73 K78 A82N51-C73 HydrophobicContact CB-CB 4.45Å; N51-K78 HydrophobicContact CB-CB 4.36Å; N51-A82 HydrophobicContact CB-CB 4.46Å; N51-A82 VanDerWaalsContact O-CB 3.23Å; N51-A82 WeakPolarHBondContact O-CB 3.35Å
52T88.9Confident96.4Very high46 Ų4622.7 Ų22.728%0.28214%0.141SC..SBendtrans-142.1170.7178.595.60000112.4G55 K56 D239T52-G55 PolarHBondContact O-N 3.12Å; T52-K56 PolarHBondContact O-N 3.23Å; T52-D239 VanDerWaalsContact CB-OD2 3.29Å; T52-D239 WeakPolarHBondContact CB-OD2 3.21Å; T52-D239 PolarHBondContact OG1-OD2 3.32Å
53G90.8Very high96.5Very high15 Ų1519.4 Ų19.416%0.15511%0.106CC..Hα-helixtrans53.7-137.5168.200000114.3G55 K56 E57G53-G55 VanDerWaalsContact C-N 3.28Å; G53-G55 PolarHBondContact O-N 3.14Å; G53-K56 PolarHBondContact O-N 3.4Å; G53-E57 PolarHBondContact O-N 3.43Å
54I92.3Very high96.5Very high18 Ų1818.9 Ų18.99%0.09211%0.109CC..Hα-helixtrans-57.5-41-174.9-61.8159.9000111.5K56 E57 T58 P233 V236 A265I54-K56 PolarHBondContact O-N 3Å; I54-E57 PolarHBondContact O-N 3.04Å; I54-T58 WeakPolarHBondContact O-CB 3.41Å; I54-T58 PolarHBondContact O-N 2.95Å; I54-T58 PolarHBondContact O-OG1 3.3Å; I54-P233 HydrophobicContact CD1-CB 3.66Å; I54-P233 HydrophobicContact CD1-CG 3.65Å; I54-P233 HydrophobicContact CG1-CB 4.48Å; I54-V236 HydrophobicContact CD1-CB 3.98Å; I54-V236 HydrophobicContact CD1-CG1 4.1Å; I54-V236 HydrophobicContact CD1-CG2 3.85Å; I54-V236 HydrophobicContact CG1-CB 4.29Å; I54-V236 HydrophobicContact CG1-CG1 3.86Å; I54-V236 HydrophobicContact CG1-CG2 4.21Å; I54-A265 HydrophobicContact CG2-CB 4.3Å
55G95.6Very high96.4Very high1 Ų119.5 Ų19.51%0.0111%0.11CC..Hα-helixtrans-64.3-40.9-178.600000112.4T52 G53 T58 A59 N128T52-G55 PolarHBondContact O-N 3.12Å; G53-G55 VanDerWaalsContact C-N 3.28Å; G53-G55 PolarHBondContact O-N 3.14Å; G55-T58 PolarHBondContact O-N 3.35Å; G55-A59 WeakPolarHBondContact O-CB 3.48Å; G55-A59 PolarHBondContact O-N 3.12Å; G55-N128 VanDerWaalsContact CA-ND2 3.35Å; G55-N128 WeakPolarHBondContact CA-ND2 3.4Å
56K97.5Very high96.4Very high57 Ų5720.1 Ų20.125%0.24812%0.116CC..Hα-helixtrans-65.1-46.3176.9-175.8-177175.5178.80112A50 T52 G53 I54 T58 A59 L60 A82 S85 I86A50-K56 WeakPolarHBondContact O-CA 3.26Å; A50-K56 VanDerWaalsContact O-CB 3.32Å; A50-K56 WeakPolarHBondContact O-CB 3.32Å; A50-K56 PolarHBondContact O-N 3.28Å; T52-K56 PolarHBondContact O-N 3.23Å; G53-K56 PolarHBondContact O-N 3.4Å; I54-K56 PolarHBondContact O-N 3Å; K56-T58 VanDerWaalsContact C-N 3.32Å; K56-T58 PolarHBondContact O-N 3.32Å; K56-A59 WeakPolarHBondContact O-CB 3.37Å; K56-A59 PolarHBondContact O-N 2.97Å; K56-L60 PolarHBondContact O-N 3.32Å; K56-A82 HydrophobicContact CD-CB 4.13Å; K56-A82 HydrophobicContact CG-CB 4.38Å; K56-S85 WeakPolarHBondContact CE-OG 3.48Å; K56-S85 PolarHBondContact NZ-OG 3.3Å; K56-I86 HydrophobicContact CG-CD1 4.26Å
57E97.9Very high96.4Very high50 Ų5020.1 Ų20.123%0.23412%0.116CC..Hα-helixtrans-66.9-35.6178-64.4-61153.500111.9G53 I54 A59 L60 D61 P261 L262 A265G53-E57 PolarHBondContact O-N 3.43Å; I54-E57 PolarHBondContact O-N 3.04Å; E57-A59 VanDerWaalsContact C-N 3.35Å; E57-L60 PolarHBondContact O-N 2.86Å; E57-D61 PolarHBondContact O-N 3.43Å; E57-P261 HydrophobicContact CG-CB 3.69Å; E57-L262 HydrophobicContact CG-CB 4.37Å; E57-A265 HydrophobicContact CB-CB 3.83Å
58T98.4Very high96.4Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-63.7-41.8171.5-52.90000110.8I47 I54 G55 K56 L62 I126 A265 V269I47-T58 HydrophobicContact CD1-CG2 4.15Å; I54-T58 WeakPolarHBondContact O-CB 3.41Å; I54-T58 PolarHBondContact O-N 2.95Å; I54-T58 PolarHBondContact O-OG1 3.3Å; G55-T58 PolarHBondContact O-N 3.35Å; K56-T58 VanDerWaalsContact C-N 3.32Å; K56-T58 PolarHBondContact O-N 3.32Å; T58-L62 HydrophobicContact CG2-CD1 3.91Å; T58-L62 HydrophobicContact CG2-CG 4.44Å; T58-L62 VanDerWaalsContact O-CG 3.22Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 2.88Å; T58-L62 VanDerWaalsContact O-N 3.14Å; T58-I126 HydrophobicContact CG2-CD1 3.57Å; T58-A265 WeakPolarHBondContact OG1-CB 3.5Å; T58-V269 HydrophobicContact CG2-CG2 4.19Å
59A98.7Very high96.4Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-63.3-44.1176.600000112I47 A50 G55 K56 E57 A63 V69 M71 I86I47-A59 HydrophobicContact CD1-CB 3.9Å; A50-A59 HydrophobicContact CB-CB 4.34Å; G55-A59 WeakPolarHBondContact O-CB 3.48Å; G55-A59 PolarHBondContact O-N 3.12Å; K56-A59 WeakPolarHBondContact O-CB 3.37Å; K56-A59 PolarHBondContact O-N 2.97Å; E57-A59 VanDerWaalsContact C-N 3.35Å; A59-A63 VanDerWaalsContact O-CB 3.23Å; A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 3.41Å; A59-V69 HydrophobicContact CB-CG1 3.9Å; A59-M71 HydrophobicContact CB-CG 4.25Å; A59-M71 HydrophobicContact CB-SD 4.16Å; A59-I86 HydrophobicContact CB-CD1 3.88Å
60L98.5Very high96.6Very high42 Ų4223.1 Ų23.122%0.2212%0.121CC..Hα-helixtrans-59.3-51.6176.8176.259.1000111.5K56 E57 L62 A63 V64 I86 A89K56-L60 PolarHBondContact O-N 3.32Å; E57-L60 PolarHBondContact O-N 2.86Å; L60-L62 PolarHBondContact O-N 3.25Å; L60-A63 PolarHBondContact O-N 3.24Å; L60-V64 HydrophobicContact CD1-CG2 4.07Å; L60-V64 VanDerWaalsContact O-CG2 3.32Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 3.26Å; L60-I86 HydrophobicContact CB-CD1 4.47Å; L60-I86 HydrophobicContact CB-CG1 4.18Å; L60-I86 HydrophobicContact CD1-CB 4.42Å; L60-I86 HydrophobicContact CD1-CG1 4.39Å; L60-I86 HydrophobicContact CD1-CG2 3.82Å; L60-A89 HydrophobicContact CD1-CB 4.28Å
61D98.5Very high96.8Very high34 Ų3423.1 Ų23.118%0.18212%0.121CC..Hα-helixtrans-59.5-47.2-178.5-176.5-73.8000111.6E57 A63 V64 R65 V269E57-D61 PolarHBondContact O-N 3.43Å; D61-A63 VanDerWaalsContact C-N 3.35Å; D61-A63 PolarHBondContact O-N 3.23Å; D61-V64 PolarHBondContact O-N 3.01Å; D61-R65 WeakPolarHBondContact O-CG 3.49Å; D61-R65 PolarHBondContact O-N 3.34Å; D61-R65 WeakPolarHBondContact OD1-CD 3.23Å; D61-R65 IonicContact OD1-CZ 3.76Å; D61-R65 IonicContact OD1-NE 3.19Å; D61-R65 PolarHBondContact OD1-NE 3.27Å; D61-R65 IonicContact OD1-NH2 3.91Å; D61-R65 IonicContact OD2-NH2 3.59Å; D61-V269 HydrophobicContact CB-CG2 3.84Å; D61-V269 WeakPolarHBondContact OD1-CG1 3.16Å
62L98.7Very high97.2Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-68.6-33.7-179.6-59.9176.7000112.3L40 V45 I47 T58 L60 R65 G66 A67 V69 I126 A272 V273L40-L62 HydrophobicContact CD1-CB 4.16Å; L40-L62 HydrophobicContact CD1-CD2 3.59Å; L40-L62 HydrophobicContact CD1-CG 4.42Å; V45-L62 HydrophobicContact CG1-CD1 3.76Å; V45-L62 HydrophobicContact CG2-CD1 4.45Å; I47-L62 HydrophobicContact CD1-CD1 4.1Å; T58-L62 HydrophobicContact CG2-CD1 3.91Å; T58-L62 HydrophobicContact CG2-CG 4.44Å; T58-L62 VanDerWaalsContact O-CG 3.22Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 2.88Å; T58-L62 VanDerWaalsContact O-N 3.14Å; L60-L62 PolarHBondContact O-N 3.25Å; L62-R65 WeakPolarHBondContact O-CB 3.37Å; L62-R65 PolarHBondContact O-N 2.9Å; L62-G66 PolarHBondContact O-N 3.46Å; L62-A67 HydrophobicContact CB-CB 4.43Å; L62-A67 WeakPolarHBondContact O-CB 3.42Å; L62-A67 PolarHBondContact O-N 3.34Å; L62-A67 VanDerWaalsContact O-N 3.12Å; L62-V69 HydrophobicContact CB-CG2 4.16Å; L62-I126 HydrophobicContact CD1-CD1 3.58Å; L62-A272 HydrophobicContact CD1-CB 4.5Å; L62-A272 HydrophobicContact CD2-CB 4.23Å; L62-V273 HydrophobicContact CD2-CG1 3.41Å; L62-V273 VanDerWaalsContact CD2-CG1 3.41Å
63A98.5Very high97.6Very high1 Ų119.2 Ų19.21%0.00810%0.099CC..Hα-helixtrans-66.9-42173.300000111.8A59 L60 D61 R65 G66 V69 I86 A93 V95A59-A63 VanDerWaalsContact O-CB 3.23Å; A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 3.41Å; L60-A63 PolarHBondContact O-N 3.24Å; D61-A63 VanDerWaalsContact C-N 3.35Å; D61-A63 PolarHBondContact O-N 3.23Å; A63-R65 PolarHBondContact O-N 3.17Å; A63-G66 WeakPolarHBondContact O-CA 3.34Å; A63-G66 PolarHBondContact O-N 2.66Å; A63-V69 HydrophobicContact CB-CG2 3.96Å; A63-I86 HydrophobicContact CB-CG2 4.3Å; A63-A93 HydrophobicContact CB-CB 4.05Å; A63-V95 HydrophobicContact CB-CG2 3.93Å
64V98.3Very high97.8Very high60 Ų6025.6 Ų25.636%0.36412%0.118SC..Hα-helixtrans-60.4-32.9174168.70000111.2R39 L60 D61 G66 Y90R39-V64 PolarHBondContact NH1-O 3.26Å; L60-V64 HydrophobicContact CD1-CG2 4.07Å; L60-V64 VanDerWaalsContact O-CG2 3.32Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 3.26Å; D61-V64 PolarHBondContact O-N 3.01Å; V64-G66 PolarHBondContact O-N 3.33Å; V64-Y90 HydrophobicContact CG2-CD1 4.06Å; V64-Y90 HydrophobicContact CG2-CD2 4.36Å; V64-Y90 HydrophobicContact CG2-CG 3.9Å
65R98.4Very high98Very high28 Ų2827.2 Ų27.211%0.10613%0.127CC..THydrogen-bonded Turntrans-73.2-0.8172.3-67.1172.2-172.8-84.4-4.4114.4S36 A38 R39 L40 D61 L62 A63S36-R65 PolarHBondContact O-NH1 2.88Å; S36-R65 PolarHBondContact O-NH2 2.97Å; A38-R65 PolarHBondContact O-NH1 3.12Å; R39-R65 PolarHBondContact NE-O 3.13Å; R39-R65 PolarHBondContact NH2-O 2.83Å; L40-R65 HydrophobicContact CB-CB 4.24Å; L40-R65 HydrophobicContact CD1-CB 4.11Å; L40-R65 HydrophobicContact CG-CB 4.09Å; L40-R65 PolarHBondContact N-O 3.01Å; D61-R65 WeakPolarHBondContact O-CG 3.49Å; D61-R65 PolarHBondContact O-N 3.34Å; D61-R65 WeakPolarHBondContact OD1-CD 3.23Å; D61-R65 IonicContact OD1-CZ 3.76Å; D61-R65 IonicContact OD1-NE 3.19Å; D61-R65 PolarHBondContact OD1-NE 3.27Å; D61-R65 IonicContact OD1-NH2 3.91Å; D61-R65 IonicContact OD2-NH2 3.59Å; L62-R65 WeakPolarHBondContact O-CB 3.37Å; L62-R65 PolarHBondContact O-N 2.9Å; A63-R65 PolarHBondContact O-N 3.17Å
66G98.3Very high98.1Very high13 Ų1329.8 Ų29.813%0.13414%0.143CC..THydrogen-bonded Turntrans94.35.9175.600000115.2L40 D41 L62 A63 V64L40-G66 CarbonylContact O-C 3.53Å; D41-G66 WeakPolarHBondContact OD1-CA 3.31Å; L62-G66 PolarHBondContact O-N 3.46Å; A63-G66 WeakPolarHBondContact O-CA 3.34Å; A63-G66 PolarHBondContact O-N 2.66Å; V64-G66 PolarHBondContact O-N 3.33Å
67A98.6Very high98.1Very high0 Ų034.5 Ų34.50%017%0.165CC..  trans-68.1148.2176.700000112L40 V45 L62 V69L40-A67 HydrophobicContact CB-CB 3.77Å; L40-A67 HydrophobicContact CD1-CB 3.98Å; V45-A67 HydrophobicContact CG2-CB 3.66Å; L62-A67 HydrophobicContact CB-CB 4.43Å; L62-A67 WeakPolarHBondContact O-CB 3.42Å; L62-A67 PolarHBondContact O-N 3.34Å; L62-A67 VanDerWaalsContact O-N 3.12Å; A67-V69 HydrophobicContact CB-CG2 3.99Å; A67-V69 PolarHBondContact O-N 3.45Å
68R98.7Very high98Very high84 Ų8437.3 Ų37.332%0.31718%0.177SC..EExtended strand (participates in β ladder)trans-77.9110155.5-179.8-178.1173.6-162.2-0.9108.3K43 T44 V45 K94 E96K43-R68 PolarHBondContact O-N 3.32Å; T44-R68 WeakPolarHBondContact CA-O 3.39Å; V45-R68 PolarHBondContact N-O 2.79Å; R68-K94 CarbonylContact C-O 3.55Å; R68-K94 WeakPolarHBondContact CA-O 3.42Å; R68-K94 HydrophobicContact CB-CB 4.41Å; R68-E96 IonicContact CZ-OE2 3.8Å; R68-E96 IonicContact NE-OE2 3.54Å; R68-E96 PolarHBondContact NE-OE2 2.79Å; R68-E96 IonicContact NH2-OE1 2.7Å; R68-E96 PolarHBondContact NH2-OE1 3.34Å; R68-E96 IonicContact NH2-OE2 3.58Å; R68-E96 PolarHBondContact NH2-OE2 2.69Å
69V98.9Very high98Very high0 Ų037.3 Ų37.30%018%0.177CC..EExtended strand (participates in β ladder)trans-101.7123-177.5-176.80000110.2V45 I47 A59 L62 A63 A67 M71 K94 V95 E96V45-V69 HydrophobicContact CB-CG2 4.47Å; I47-V69 HydrophobicContact CD1-CG1 3.84Å; I47-V69 HydrophobicContact CG1-CG1 4.29Å; A59-V69 HydrophobicContact CB-CG1 3.9Å; L62-V69 HydrophobicContact CB-CG2 4.16Å; A63-V69 HydrophobicContact CB-CG2 3.96Å; A67-V69 HydrophobicContact CB-CG2 3.99Å; A67-V69 PolarHBondContact O-N 3.45Å; V69-M71 HydrophobicContact CG1-CG 4.23Å; V69-K94 PolarHBondContact N-O 2.77Å; V69-V95 HydrophobicContact CB-CG2 4.38Å; V69-V95 WeakPolarHBondContact O-CA 3.29Å; V69-E96 PolarHBondContact O-N 2.86Å
70I98.9Very high98Very high0 Ų040.9 Ų40.90%019%0.193CC..EExtended strand (participates in β ladder)trans-103.9111.6175.3-54.2178.3000107.2T44 V45 L46 I47 E96 R98 F115 V119T44-I70 HydrophobicContact CG2-CD1 3.79Å; T44-I70 HydrophobicContact CG2-CG1 4.36Å; V45-I70 PolarHBondContact O-N 3.27Å; L46-I70 HydrophobicContact CD1-CB 4.04Å; L46-I70 HydrophobicContact CD1-CG2 3.83Å; L46-I70 WeakPolarHBondContact CD1-O 3.41Å; I47-I70 PolarHBondContact N-O 2.93Å; I70-E96 WeakPolarHBondContact CA-O 3.32Å; I70-E96 HydrophobicContact CB-CG 4.19Å; I70-E96 WeakPolarHBondContact CD1-OE1 3.27Å; I70-E96 HydrophobicContact CG1-CG 3.76Å; I70-E96 WeakPolarHBondContact CG1-OE1 3.49Å; I70-E96 HydrophobicContact CG2-CG 4.14Å; I70-R98 HydrophobicContact CG2-CB 4.4Å; I70-R98 HydrophobicContact CG2-CG 3.87Å; I70-F115 HydrophobicContact CB-CE2 4.43Å; I70-F115 HydrophobicContact CD1-CD2 4.41Å; I70-F115 HydrophobicContact CD1-CE2 3.42Å; I70-F115 VanDerWaalsContact CD1-CE2 3.42Å; I70-F115 HydrophobicContact CD1-CZ 3.82Å; I70-F115 HydrophobicContact CG1-CE2 4.48Å; I70-F115 HydrophobicContact CG2-CE2 4.13Å; I70-V119 HydrophobicContact CD1-CG2 3.87Å
71M98.8Very high97.9Very high0 Ų045.3 Ų45.30%021%0.213CC..EExtended strand (participates in β ladder)trans-91103.9179.1-67178.946.900109.2A50 A59 V69 A82 A83 I86 V95 E96 V97 R98A50-M71 VanDerWaalsContact C-CE 3.49Å; A50-M71 HydrophobicContact CB-CB 3.94Å; A50-M71 HydrophobicContact CB-CE 3.9Å; A50-M71 HydrophobicContact CB-CG 3.71Å; A50-M71 HydrophobicContact CB-SD 4.38Å; A50-M71 WeakPolarHBondContact O-CE 3.49Å; A59-M71 HydrophobicContact CB-CG 4.25Å; A59-M71 HydrophobicContact CB-SD 4.16Å; V69-M71 HydrophobicContact CG1-CG 4.23Å; M71-A82 HydrophobicContact CE-CB 3.8Å; M71-A83 HydrophobicContact SD-CB 4.17Å; M71-I86 HydrophobicContact SD-CD1 3.92Å; M71-V95 HydrophobicContact CG-CG1 3.85Å; M71-V95 HydrophobicContact SD-CG1 3.27Å; M71-V95 WeakPolarHBondContact SD-CG1 3.4Å; M71-E96 PolarHBondContact N-O 2.95Å; M71-V97 HydrophobicContact CB-CG2 4.37Å; M71-V97 WeakPolarHBondContact O-CA 3.34Å; M71-R98 PolarHBondContact O-N 3Å
72A98.5Very high97.9Very high1 Ų143.9 Ų43.91%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-89.3108.8177.100000110.3L46 I47 T48 G49 R98 L100 F111L46-A72 HydrophobicContact CD1-CB 3.75Å; I47-A72 PolarHBondContact O-N 2.9Å; T48-A72 CarbonylContact C-O 3.55Å; T48-A72 WeakPolarHBondContact CA-O 3.47Å; G49-A72 PolarHBondContact N-O 3.17Å; A72-R98 CarbonylContact C-O 3.59Å; A72-R98 VanDerWaalsContact CA-O 3.32Å; A72-R98 WeakPolarHBondContact CA-O 3.3Å; A72-L100 HydrophobicContact CB-CB 3.87Å; A72-L100 HydrophobicContact CB-CD2 3.67Å; A72-L100 HydrophobicContact CB-CG 4.43Å; A72-F111 HydrophobicContact CB-CE2 4.07Å; A72-F111 HydrophobicContact CB-CZ 4.12Å
73C96.7Very high97.9Very high0 Ų043.9 Ų43.90%021%0.206CC..EExtended strand (participates in β ladder)trans-130.1140.1-170.1-63.90000110.1N51 V97 R98 E99 L100N51-C73 HydrophobicContact CB-CB 4.45Å; C73-V97 HydrophobicContact CB-CG1 4.36Å; C73-R98 PolarHBondContact N-O 2.86Å; C73-E99 VanDerWaalsContact O-CA 3.32Å; C73-E99 WeakPolarHBondContact O-CA 3.44Å; C73-L100 CarbonylContact C-O 3.58Å; C73-L100 PolarHBondContact O-N 3.42Å
74R95.6Very high97.9Very high148 Ų14846.1 Ų46.156%0.55823%0.225SC*.SBendtrans-67.3-43.1173.1-177.4-177.668.9-178.74.7111.8L100 D101R74-L100 VanDerWaalsContact CA-O 3.29Å; R74-L100 WeakPolarHBondContact CA-O 3.47Å; R74-L100 PolarHBondContact N-O 2.91Å; R74-D101 VanDerWaalsContact CD-CG 3.45Å; R74-D101 WeakPolarHBondContact CD-OD2 3.23Å; R74-D101 HydrophobicContact CG-CB 3.99Å
75D96.2Very high97.8Very high53 Ų5345.3 Ų45.328%0.28322%0.221SC..SBendtrans-96.5101177.4-175.2-30.5000107.9E77 K78 G79D75-E77 PolarHBondContact OD1-N 2.8Å; D75-K78 HydrophobicContact CB-CB 4.26Å; D75-K78 HydrophobicContact CB-CD 4.46Å; D75-K78 PolarHBondContact OD1-N 2.99Å; D75-K78 WeakPolarHBondContact OD2-CD 3.4Å; D75-K78 VanDerWaalsContact OD2-CE 3.29Å; D75-K78 WeakPolarHBondContact OD2-CE 3.5Å; D75-K78 WeakPolarHBondContact OD2-CG 3.34Å; D75-K78 IonicContact OD2-NZ 2.84Å; D75-G79 PolarHBondContact O-N 3.48Å
76V97.1Very high97.8Very high55 Ų5544 Ų4433%0.33322%0.217SC..Hα-helixtrans-67.4-38-175.4177.90000111G79 E80 V97 E99V76-G79 CarbonylContact O-C 3.55Å; V76-G79 WeakPolarHBondContact O-CA 3.45Å; V76-G79 PolarHBondContact O-N 3Å; V76-G79 VanDerWaalsContact O-N 3.13Å; V76-E80 HydrophobicContact CG1-CG 4.41Å; V76-E80 PolarHBondContact O-N 2.91Å; V76-V97 HydrophobicContact CG1-CG1 4.3Å; V76-E99 HydrophobicContact CG2-CB 3.6Å; V76-E99 HydrophobicContact CG2-CG 3.86Å
77E97.8Very high97.8Very high155 Ų15548.3 Ų48.372%0.72423%0.229SC*.Hα-helixtrans-61.3-51.6179.4-65.5-179174.200110.7D75 G79 E80 E81D75-E77 PolarHBondContact OD1-N 2.8Å; E77-G79 PolarHBondContact O-N 3.3Å; E77-E80 PolarHBondContact O-N 3.22Å; E77-E80 VanDerWaalsContact O-N 3.1Å; E77-E81 WeakPolarHBondContact O-CG 3.28Å; E77-E81 PolarHBondContact O-N 3.43Å
78K96.1Very high97.8Very high109 Ų10952.6 Ų52.647%0.47426%0.264SS..Hα-helixtrans-63-32.2174.1-70.3-175.6-172.4167.60112.8N51 D75 A82N51-K78 HydrophobicContact CB-CB 4.36Å; D75-K78 HydrophobicContact CB-CB 4.26Å; D75-K78 HydrophobicContact CB-CD 4.46Å; D75-K78 PolarHBondContact OD1-N 2.99Å; D75-K78 WeakPolarHBondContact OD2-CD 3.4Å; D75-K78 VanDerWaalsContact OD2-CE 3.29Å; D75-K78 WeakPolarHBondContact OD2-CE 3.5Å; D75-K78 WeakPolarHBondContact OD2-CG 3.34Å; D75-K78 IonicContact OD2-NZ 2.84Å; K78-A82 WeakPolarHBondContact O-CB 3.48Å; K78-A82 PolarHBondContact O-N 3.03Å; K78-A82 VanDerWaalsContact O-N 3.09Å
79G97.7Very high97.7Very high0 Ų052.1 Ų52.10%028%0.278CS..Hα-helixtrans-60.8-47172.600000111.7D75 V76 E77 A82 A83 V97D75-G79 PolarHBondContact O-N 3.48Å; V76-G79 CarbonylContact O-C 3.55Å; V76-G79 WeakPolarHBondContact O-CA 3.45Å; V76-G79 PolarHBondContact O-N 3Å; V76-G79 VanDerWaalsContact O-N 3.13Å; E77-G79 PolarHBondContact O-N 3.3Å; G79-A82 WeakPolarHBondContact O-CB 3.44Å; G79-A82 PolarHBondContact O-N 3.21Å; G79-A83 WeakPolarHBondContact O-CB 3.47Å; G79-A83 PolarHBondContact O-N 2.97Å; G79-V97 VanDerWaalsContact C-CG2 3.43Å; G79-V97 WeakPolarHBondContact O-CG2 3.06Å
80E98.4Very high97.6Very high75 Ų7555.4 Ų55.435%0.3529%0.291SS..Hα-helixtrans-69.6-37.1-179.2-76.1-64.2166.600112.2V76 E77 A82 A83 A84 R87 V97V76-E80 HydrophobicContact CG1-CG 4.41Å; V76-E80 PolarHBondContact O-N 2.91Å; E77-E80 PolarHBondContact O-N 3.22Å; E77-E80 VanDerWaalsContact O-N 3.1Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.44Å; E80-A83 PolarHBondContact O-N 3.29Å; E80-A84 VanDerWaalsContact O-CB 3.25Å; E80-A84 WeakPolarHBondContact O-CB 3.33Å; E80-A84 PolarHBondContact O-N 3.45Å; E80-R87 IonicContact OE2-NH2 2.78Å; E80-R87 PolarHBondContact OE2-NH2 3.49Å; E80-R87 VanDerWaalsContact OE2-NH2 3.12Å; E80-V97 HydrophobicContact CG-CB 4.19Å; E80-V97 HydrophobicContact CG-CG2 4.1Å; E80-V97 WeakPolarHBondContact OE1-CB 3.4Å
81E98.3Very high97.3Very high136 Ų13660.1 Ų60.164%0.63632%0.324SS*.Hα-helixtrans-57.8-45.8169.8-70.9176.9179.900111.4E77 A84 S85E77-E81 WeakPolarHBondContact O-CG 3.28Å; E77-E81 PolarHBondContact O-N 3.43Å; E81-A84 PolarHBondContact O-N 3.06Å; E81-S85 PolarHBondContact O-N 2.78Å
82A97.7Very high97.1Very high3 Ų366.5 Ų66.53%0.02535%0.354CS..Hα-helixtrans-64.6-45.7177.400000111.8N51 K56 M71 K78 G79 E80 A84 S85 I86N51-A82 HydrophobicContact CB-CB 4.46Å; N51-A82 VanDerWaalsContact O-CB 3.23Å; N51-A82 WeakPolarHBondContact O-CB 3.35Å; K56-A82 HydrophobicContact CD-CB 4.13Å; K56-A82 HydrophobicContact CG-CB 4.38Å; M71-A82 HydrophobicContact CE-CB 3.8Å; K78-A82 WeakPolarHBondContact O-CB 3.48Å; K78-A82 PolarHBondContact O-N 3.03Å; K78-A82 VanDerWaalsContact O-N 3.09Å; G79-A82 WeakPolarHBondContact O-CB 3.44Å; G79-A82 PolarHBondContact O-N 3.21Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.44Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A82-A84 PolarHBondContact O-N 2.95Å; A82-S85 PolarHBondContact O-N 3.45Å; A82-S85 PolarHBondContact O-OG 2.89Å; A82-I86 WeakPolarHBondContact O-CG1 3.09Å; A82-I86 PolarHBondContact O-N 3.43Å
83A98.3Very high97Very high0 Ų066.9 Ų66.90%036%0.357CS..Hα-helixtrans-63.3-38.2176.900000112.4M71 G79 E80 I86 R87 V95 V97M71-A83 HydrophobicContact SD-CB 4.17Å; G79-A83 WeakPolarHBondContact O-CB 3.47Å; G79-A83 PolarHBondContact O-N 2.97Å; E80-A83 PolarHBondContact O-N 3.29Å; A83-I86 PolarHBondContact O-N 3.44Å; A83-R87 WeakPolarHBondContact O-CG 3.41Å; A83-R87 PolarHBondContact O-N 2.82Å; A83-R87 PolarHBondContact O-NE 2.87Å; A83-V95 HydrophobicContact CB-CB 4.44Å; A83-V95 HydrophobicContact CB-CG1 3.75Å; A83-V97 HydrophobicContact CB-CG2 3.66Å
84A98.2Very high97.1Very high49 Ų4973.3 Ų73.341%0.40539%0.385SS..Hα-helixtrans-61.9-43.6173.100000111.3E80 E81 A82 I86 R87 A88E80-A84 VanDerWaalsContact O-CB 3.25Å; E80-A84 WeakPolarHBondContact O-CB 3.33Å; E80-A84 PolarHBondContact O-N 3.45Å; E81-A84 PolarHBondContact O-N 3.06Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A82-A84 PolarHBondContact O-N 2.95Å; A84-I86 VanDerWaalsContact C-N 3.33Å; A84-I86 PolarHBondContact O-N 2.79Å; A84-R87 PolarHBondContact O-N 2.94Å; A84-A88 WeakPolarHBondContact O-CB 3.4Å; A84-A88 PolarHBondContact O-N 3.17Å
85S97.9Very high97.2Very high42 Ų4266.8 Ų66.829%0.29436%0.362SS..Hα-helixtrans-65-34.6176.5740000113.3K56 E81 A82 A88 A89K56-S85 WeakPolarHBondContact CE-OG 3.48Å; K56-S85 PolarHBondContact NZ-OG 3.3Å; E81-S85 PolarHBondContact O-N 2.78Å; A82-S85 PolarHBondContact O-N 3.45Å; A82-S85 PolarHBondContact O-OG 2.89Å; S85-A88 PolarHBondContact O-N 3.39Å; S85-A89 WeakPolarHBondContact O-CB 3.48Å; S85-A89 PolarHBondContact O-N 2.88Å
86I98.3Very high97.3Very high2 Ų266.6 Ų66.61%0.0136%0.359CS..Hα-helixtrans-66.9-45.9174.4-68.2168.2000110.4K56 A59 L60 A63 M71 A82 A83 A84 A88 A89 Y90 A93 V95K56-I86 HydrophobicContact CG-CD1 4.26Å; A59-I86 HydrophobicContact CB-CD1 3.88Å; L60-I86 HydrophobicContact CB-CD1 4.47Å; L60-I86 HydrophobicContact CB-CG1 4.18Å; L60-I86 HydrophobicContact CD1-CB 4.42Å; L60-I86 HydrophobicContact CD1-CG1 4.39Å; L60-I86 HydrophobicContact CD1-CG2 3.82Å; A63-I86 HydrophobicContact CB-CG2 4.3Å; M71-I86 HydrophobicContact SD-CD1 3.92Å; A82-I86 WeakPolarHBondContact O-CG1 3.09Å; A82-I86 PolarHBondContact O-N 3.43Å; A83-I86 PolarHBondContact O-N 3.44Å; A84-I86 VanDerWaalsContact C-N 3.33Å; A84-I86 PolarHBondContact O-N 2.79Å; I86-A88 VanDerWaalsContact C-N 3.28Å; I86-A88 PolarHBondContact O-N 2.82Å; I86-A89 PolarHBondContact O-N 3.12Å; I86-Y90 PolarHBondContact O-N 3.35Å; I86-A93 HydrophobicContact CG2-CB 3.91Å; I86-V95 HydrophobicContact CG2-CG2 3.75Å
87R98Very high97.4Very high103 Ų10364.9 Ų64.939%0.38935%0.349SS..Hα-helixtrans-62.5-33.7175.8-73.4179.3-76.4-162.8-4112.5E80 A83 A84 Y90 S91 A93E80-R87 IonicContact OE2-NH2 2.78Å; E80-R87 PolarHBondContact OE2-NH2 3.49Å; E80-R87 VanDerWaalsContact OE2-NH2 3.12Å; A83-R87 WeakPolarHBondContact O-CG 3.41Å; A83-R87 PolarHBondContact O-N 2.82Å; A83-R87 PolarHBondContact O-NE 2.87Å; A84-R87 PolarHBondContact O-N 2.94Å; R87-Y90 CarbonylContact O-C 3.43Å; R87-Y90 VanDerWaalsContact O-O 3.12Å; R87-S91 WeakPolarHBondContact O-CA 3.39Å; R87-S91 PolarHBondContact O-N 3.27Å; R87-A93 HydrophobicContact CG-CB 4.34Å
88A97.4Very high97.4Very high89 Ų8959 Ų5974%0.73632%0.32SS*.Hα-helixtrans-70.2-37.617400000112.4A84 S85 I86A84-A88 WeakPolarHBondContact O-CB 3.4Å; A84-A88 PolarHBondContact O-N 3.17Å; S85-A88 PolarHBondContact O-N 3.39Å; I86-A88 VanDerWaalsContact C-N 3.28Å; I86-A88 PolarHBondContact O-N 2.82Å
89A96.4Very high97.5Very high75 Ų7560 Ų6062%0.6233%0.326SS*.Hα-helixtrans-73.6-31.3176.300000113L60 S85 I86L60-A89 HydrophobicContact CD1-CB 4.28Å; S85-A89 WeakPolarHBondContact O-CB 3.48Å; S85-A89 PolarHBondContact O-N 2.88Å; I86-A89 PolarHBondContact O-N 3.12Å
90Y96.8Very high97.6Very high68 Ų6860.2 Ų60.227%0.26733%0.328SS..  trans-143104.6177.5-175.1-118.2000110.3V64 I86 R87 E92 A93V64-Y90 HydrophobicContact CG2-CD1 4.06Å; V64-Y90 HydrophobicContact CG2-CD2 4.36Å; V64-Y90 HydrophobicContact CG2-CG 3.9Å; I86-Y90 PolarHBondContact O-N 3.35Å; R87-Y90 CarbonylContact O-C 3.43Å; R87-Y90 VanDerWaalsContact O-O 3.12Å; Y90-E92 VanDerWaalsContact C-N 3.25Å; Y90-E92 HydrophobicContact CD1-CB 4.36Å; Y90-E92 HydrophobicContact CE1-CB 3.72Å; Y90-E92 HydrophobicContact CE2-CB 4.41Å; Y90-E92 PolarHBondContact O-N 3.32Å; Y90-A93 HydrophobicContact CD1-CB 3.84Å; Y90-A93 WeakPolarHBondContact O-CB 3.17Å; Y90-A93 PolarHBondContact O-N 3.47Å
91S94.3Very high97.6Very high99 Ų9958.3 Ų58.369%0.69232%0.32SS*.THydrogen-bonded Turntrans-62.2-29.5-171.658.90000114.2R87 A93R87-S91 WeakPolarHBondContact O-CA 3.39Å; R87-S91 PolarHBondContact O-N 3.27Å; S91-A93 PolarHBondContact O-N 3.29Å
92E94.7Very high97.6Very high134 Ų13452.5 Ų52.563%0.62629%0.293SS*.THydrogen-bonded Turntrans-83.22.2178.3-59.3-60.9118.400112.9Y90 K94Y90-E92 VanDerWaalsContact C-N 3.25Å; Y90-E92 HydrophobicContact CD1-CB 4.36Å; Y90-E92 HydrophobicContact CE1-CB 3.72Å; Y90-E92 HydrophobicContact CE2-CB 4.41Å; Y90-E92 PolarHBondContact O-N 3.32Å; E92-K94 PolarHBondContact O-N 3.25Å
93A96.3Very high97.6Very high10 Ų1052.7 Ų52.78%0.08330%0.295CS..  trans-63.1119.7-178.400000111.4A63 I86 R87 Y90 S91 V95A63-A93 HydrophobicContact CB-CB 4.05Å; I86-A93 HydrophobicContact CG2-CB 3.91Å; R87-A93 HydrophobicContact CG-CB 4.34Å; Y90-A93 HydrophobicContact CD1-CB 3.84Å; Y90-A93 WeakPolarHBondContact O-CB 3.17Å; Y90-A93 PolarHBondContact O-N 3.47Å; S91-A93 PolarHBondContact O-N 3.29Å; A93-V95 HydrophobicContact CB-CG2 3.99Å; A93-V95 PolarHBondContact O-N 2.96Å
94K97.9Very high97.6Very high134 Ų13454.3 Ų54.358%0.58330%0.303SS*.EExtended strand (participates in β ladder)trans-92.881.8175.1-66.5173.3-173.6171.20109.6R68 V69 E92R68-K94 CarbonylContact C-O 3.55Å; R68-K94 WeakPolarHBondContact CA-O 3.42Å; R68-K94 HydrophobicContact CB-CB 4.41Å; V69-K94 PolarHBondContact N-O 2.77Å; E92-K94 PolarHBondContact O-N 3.25Å
95V98.1Very high97.7Very high11 Ų1153 Ų537%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-118.1129.8-176.3-172.80000110.6A63 V69 M71 A83 I86 A93A63-V95 HydrophobicContact CB-CG2 3.93Å; V69-V95 HydrophobicContact CB-CG2 4.38Å; V69-V95 WeakPolarHBondContact O-CA 3.29Å; M71-V95 HydrophobicContact CG-CG1 3.85Å; M71-V95 HydrophobicContact SD-CG1 3.27Å; M71-V95 WeakPolarHBondContact SD-CG1 3.4Å; A83-V95 HydrophobicContact CB-CB 4.44Å; A83-V95 HydrophobicContact CB-CG1 3.75Å; I86-V95 HydrophobicContact CG2-CG2 3.75Å; A93-V95 HydrophobicContact CB-CG2 3.99Å; A93-V95 PolarHBondContact O-N 2.96Å
96E97.8Very high97.7Very high50 Ų5055.1 Ų55.123%0.23430%0.304CS..EExtended strand (participates in β ladder)trans-128.6147.8173.365-177.7-133.600110.2R68 V69 I70 M71 R98R68-E96 IonicContact CZ-OE2 3.8Å; R68-E96 IonicContact NE-OE2 3.54Å; R68-E96 PolarHBondContact NE-OE2 2.79Å; R68-E96 IonicContact NH2-OE1 2.7Å; R68-E96 PolarHBondContact NH2-OE1 3.34Å; R68-E96 IonicContact NH2-OE2 3.58Å; R68-E96 PolarHBondContact NH2-OE2 2.69Å; V69-E96 PolarHBondContact O-N 2.86Å; I70-E96 WeakPolarHBondContact CA-O 3.32Å; I70-E96 HydrophobicContact CB-CG 4.19Å; I70-E96 WeakPolarHBondContact CD1-OE1 3.27Å; I70-E96 HydrophobicContact CG1-CG 3.76Å; I70-E96 WeakPolarHBondContact CG1-OE1 3.49Å; I70-E96 HydrophobicContact CG2-CG 4.14Å; M71-E96 PolarHBondContact N-O 2.95Å; E96-R98 IonicContact OE1-CZ 3.25Å; E96-R98 VanDerWaalsContact OE1-CZ 3.23Å; E96-R98 IonicContact OE1-NE 3.23Å; E96-R98 PolarHBondContact OE1-NE 2.82Å; E96-R98 IonicContact OE1-NH2 3.11Å; E96-R98 PolarHBondContact OE1-NH2 2.81Å
97V98.7Very high97.7Very high19 Ų1956 Ų5612%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-105.9140.7177.8-175.50000109.2M71 C73 V76 G79 E80 A83M71-V97 HydrophobicContact CB-CG2 4.37Å; M71-V97 WeakPolarHBondContact O-CA 3.34Å; C73-V97 HydrophobicContact CB-CG1 4.36Å; V76-V97 HydrophobicContact CG1-CG1 4.3Å; G79-V97 VanDerWaalsContact C-CG2 3.43Å; G79-V97 WeakPolarHBondContact O-CG2 3.06Å; E80-V97 HydrophobicContact CG-CB 4.19Å; E80-V97 HydrophobicContact CG-CG2 4.1Å; E80-V97 WeakPolarHBondContact OE1-CB 3.4Å; A83-V97 HydrophobicContact CB-CG2 3.66Å
98R98.4Very high97.8Very high32 Ų3251.1 Ų51.112%0.12129%0.292CS..EExtended strand (participates in β ladder)trans-134.6140.6174.2-65.5-174.1-173.6-128.9-9.7109.6I70 M71 A72 C73 E96 L100 F111 E118I70-R98 HydrophobicContact CG2-CB 4.4Å; I70-R98 HydrophobicContact CG2-CG 3.87Å; M71-R98 PolarHBondContact O-N 3Å; A72-R98 CarbonylContact C-O 3.59Å; A72-R98 VanDerWaalsContact CA-O 3.32Å; A72-R98 WeakPolarHBondContact CA-O 3.3Å; C73-R98 PolarHBondContact N-O 2.86Å; E96-R98 IonicContact OE1-CZ 3.25Å; E96-R98 VanDerWaalsContact OE1-CZ 3.23Å; E96-R98 IonicContact OE1-NE 3.23Å; E96-R98 PolarHBondContact OE1-NE 2.82Å; E96-R98 IonicContact OE1-NH2 3.11Å; E96-R98 PolarHBondContact OE1-NH2 2.81Å; R98-L100 PolarHBondContact O-N 3.16Å; R98-F111 HydrophobicContact CB-CD2 4.27Å; R98-F111 HydrophobicContact CB-CE2 3.66Å; R98-F111 HydrophobicContact CG-CE2 4.44Å; R98-E118 IonicContact CZ-OE2 2.96Å; R98-E118 VanDerWaalsContact CZ-OE2 3.25Å; R98-E118 IonicContact NH1-OE2 2.86Å; R98-E118 PolarHBondContact NH1-OE2 3.42Å; R98-E118 IonicContact NH2-OE2 3.74Å; R98-E118 PolarHBondContact NH2-OE2 3.01Å; R98-E118 VanDerWaalsContact NH2-OE2 3.11Å
99E98.5Very high97.8Very high129 Ų12951.4 Ų51.460%0.60327%0.274SS*.EExtended strand (participates in β ladder)trans-67.3130.1175.8-168.2-179.3173.300110.8C73 V76 F111C73-E99 VanDerWaalsContact O-CA 3.32Å; C73-E99 WeakPolarHBondContact O-CA 3.44Å; V76-E99 HydrophobicContact CG2-CB 3.6Å; V76-E99 HydrophobicContact CG2-CG 3.86Å; E99-F111 VanDerWaalsContact O-CD2 3.25Å; E99-F111 WeakPolarHBondContact O-CD2 3.26Å
100L98.7Very high97.9Very high5 Ų550.5 Ų50.53%0.02627%0.267CS..  trans-153.2116.6171174.764.7000109.5T48 A72 C73 R74 R98 L102 I108 F111 L157T48-L100 HydrophobicContact CG2-CD2 3.91Å; A72-L100 HydrophobicContact CB-CB 3.87Å; A72-L100 HydrophobicContact CB-CD2 3.67Å; A72-L100 HydrophobicContact CB-CG 4.43Å; C73-L100 CarbonylContact C-O 3.58Å; C73-L100 PolarHBondContact O-N 3.42Å; R74-L100 VanDerWaalsContact CA-O 3.29Å; R74-L100 WeakPolarHBondContact CA-O 3.47Å; R74-L100 PolarHBondContact N-O 2.91Å; R98-L100 PolarHBondContact O-N 3.16Å; L100-L102 HydrophobicContact CD2-CD2 4.13Å; L100-L102 HydrophobicContact CD2-CG 4.38Å; L100-L102 HydrophobicContact CG-CD2 4.41Å; L100-L102 HydrophobicContact CG-CG 4.4Å; L100-I108 HydrophobicContact CD1-CB 4.36Å; L100-I108 HydrophobicContact CD1-CG1 3.99Å; L100-F111 HydrophobicContact CB-CD2 4.07Å; L100-F111 HydrophobicContact CB-CE2 4.47Å; L100-F111 HydrophobicContact CB-CG 4.33Å; L100-F111 HydrophobicContact CD1-CB 3.78Å; L100-F111 HydrophobicContact CD1-CD1 4.16Å; L100-F111 HydrophobicContact CD1-CD2 4.46Å; L100-F111 HydrophobicContact CD1-CG 3.87Å; L100-L157 HydrophobicContact CD2-CD1 4.41Å; L100-L157 HydrophobicContact CD2-CD2 3.94Å
101D98.6Very high98Very high35 Ų3548 Ų4819%0.18726%0.257CS..  trans-100.7116.7166.3-162.3-14.3000110.4R74 A103 D104 S107R74-D101 VanDerWaalsContact CD-CG 3.45Å; R74-D101 WeakPolarHBondContact CD-OD2 3.23Å; R74-D101 HydrophobicContact CG-CB 3.99Å; D101-A103 PolarHBondContact O-N 3.11Å; D101-A103 WeakPolarHBondContact OD1-CB 3.47Å; D101-A103 PolarHBondContact OD1-N 3.38Å; D101-D104 HydrophobicContact CB-CB 4.4Å; D101-D104 PolarHBondContact O-N 2.9Å; D101-S107 PolarHBondContact N-OG 2.8Å
102L98.7Very high98.3Very high13 Ų1343.3 Ų43.37%0.06823%0.225CC..THydrogen-bonded Turntrans-78.2-8.4177.5-70.6167.4000113.1L100 D104 I108 A129 V149 H154L100-L102 HydrophobicContact CD2-CD2 4.13Å; L100-L102 HydrophobicContact CD2-CG 4.38Å; L100-L102 HydrophobicContact CG-CD2 4.41Å; L100-L102 HydrophobicContact CG-CG 4.4Å; L102-D104 VanDerWaalsContact C-N 3.3Å; L102-I108 HydrophobicContact CD2-CD1 4.3Å; L102-I108 HydrophobicContact CD2-CG1 4.32Å; L102-A129 HydrophobicContact CD1-CB 3.47Å; L102-A129 VanDerWaalsContact CD1-CB 3.47Å; L102-V149 HydrophobicContact CB-CG1 4.09Å; L102-H154 VanDerWaalsContact CD1-NE2 3.34Å; L102-H154 WeakPolarHBondContact CD1-NE2 3.45Å
103A98.3Very high98.4Very high8 Ų842.5 Ų42.57%0.06622%0.221CC..THydrogen-bonded Turntrans-89.610.3172.400000113.1D101 T139 I140 M145 V149D101-A103 PolarHBondContact O-N 3.11Å; D101-A103 WeakPolarHBondContact OD1-CB 3.47Å; D101-A103 PolarHBondContact OD1-N 3.38Å; A103-T139 HydrophobicContact CB-CG2 3.95Å; A103-T139 VanDerWaalsContact O-CB 3.26Å; A103-T139 WeakPolarHBondContact O-CB 3.38Å; A103-I140 PolarHBondContact O-N 3.44Å; A103-M145 HydrophobicContact CB-SD 4.42Å; A103-V149 HydrophobicContact CB-CG2 3.76Å
104D98.6Very high98.6Very high33 Ų3347.2 Ų47.218%0.17624%0.239CC..  trans-141.6110.7-179.6179.9-6.4000110.7D101 L102 C106 S107 I108 I140D101-D104 HydrophobicContact CB-CB 4.4Å; D101-D104 PolarHBondContact O-N 2.9Å; L102-D104 VanDerWaalsContact C-N 3.3Å; D104-C106 PolarHBondContact O-N 2.87Å; D104-C106 WeakPolarHBondContact OD1-CA 3.41Å; D104-C106 VanDerWaalsContact OD1-CB 3.24Å; D104-C106 WeakPolarHBondContact OD1-CB 3.31Å; D104-C106 PolarHBondContact OD1-N 3.49Å; D104-S107 WeakPolarHBondContact O-CB 3.48Å; D104-S107 PolarHBondContact O-N 3.37Å; D104-S107 VanDerWaalsContact O-N 3.14Å; D104-S107 PolarHBondContact OD1-N 3.06Å; D104-I108 WeakPolarHBondContact O-CG1 3.37Å; D104-I108 PolarHBondContact O-N 2.66Å; D104-I140 HydrophobicContact CB-CB 4.35Å; D104-I140 HydrophobicContact CB-CD1 3.7Å; D104-I140 HydrophobicContact CB-CG1 4.5Å
105T98.6Very high98.6Very high22 Ų2240.8 Ų40.814%0.13521%0.212CC..Hα-helixtrans-64.9-27.3179.370.90000113.6I108 R109 D141 F143 L156 L314T105-I108 PolarHBondContact O-N 3.38Å; T105-R109 WeakPolarHBondContact O-CB 3.22Å; T105-R109 VanDerWaalsContact O-CG 3.26Å; T105-R109 WeakPolarHBondContact O-CG 3.17Å; T105-R109 PolarHBondContact O-N 3.38Å; T105-D141 WeakPolarHBondContact CB-OD1 3.18Å; T105-D141 HydrophobicContact CG2-CB 4.31Å; T105-D141 VanDerWaalsContact CG2-CG 3.4Å; T105-D141 WeakPolarHBondContact CG2-OD1 3.06Å; T105-D141 VanDerWaalsContact CG2-OD2 3.3Å; T105-D141 WeakPolarHBondContact CG2-OD2 3.12Å; T105-D141 PolarHBondContact N-OD2 2.78Å; T105-D141 PolarHBondContact OG1-OD1 2.75Å; T105-F143 HydrophobicContact CG2-CE2 4.34Å; T105-L156 HydrophobicContact CG2-CD2 3.84Å; T105-L314 HydrophobicContact CG2-CD2 3.89Å
106C98.6Very high98.6Very high87 Ų8743.6 Ų43.659%0.58823%0.226SC*.Hα-helixtrans-67.2-43.4172.6-68.90000110.8D104 I108 R109 A110D104-C106 PolarHBondContact O-N 2.87Å; D104-C106 WeakPolarHBondContact OD1-CA 3.41Å; D104-C106 VanDerWaalsContact OD1-CB 3.24Å; D104-C106 WeakPolarHBondContact OD1-CB 3.31Å; D104-C106 PolarHBondContact OD1-N 3.49Å; C106-I108 PolarHBondContact O-N 3.01Å; C106-R109 PolarHBondContact O-N 3.44Å; C106-A110 VanDerWaalsContact O-CB 3.31Å; C106-A110 WeakPolarHBondContact O-CB 3.39Å; C106-A110 PolarHBondContact O-N 3.27Å
107S98.8Very high98.6Very high21 Ų2149.1 Ų49.115%0.14724%0.244CC..Hα-helixtrans-57.6-47.4173.3-173.50000111.4D101 D104 R109 A110 F111D101-S107 PolarHBondContact N-OG 2.8Å; D104-S107 WeakPolarHBondContact O-CB 3.48Å; D104-S107 PolarHBondContact O-N 3.37Å; D104-S107 VanDerWaalsContact O-N 3.14Å; D104-S107 PolarHBondContact OD1-N 3.06Å; S107-R109 PolarHBondContact O-N 3.15Å; S107-A110 PolarHBondContact O-N 2.9Å; S107-F111 VanDerWaalsContact O-CB 3.32Å; S107-F111 WeakPolarHBondContact O-CB 3.24Å; S107-F111 PolarHBondContact O-N 3.43Å
108I98.9Very high98.6Very high0 Ų052.5 Ų52.50%026%0.259CS..Hα-helixtrans-60.9-45.1179.1-61.2163.5000111.5L100 L102 D104 T105 C106 A112 G153 L156 L157 L160L100-I108 HydrophobicContact CD1-CB 4.36Å; L100-I108 HydrophobicContact CD1-CG1 3.99Å; L102-I108 HydrophobicContact CD2-CD1 4.3Å; L102-I108 HydrophobicContact CD2-CG1 4.32Å; D104-I108 WeakPolarHBondContact O-CG1 3.37Å; D104-I108 PolarHBondContact O-N 2.66Å; T105-I108 PolarHBondContact O-N 3.38Å; C106-I108 PolarHBondContact O-N 3.01Å; I108-A112 WeakPolarHBondContact O-CB 3.48Å; I108-A112 PolarHBondContact O-N 3.46Å; I108-G153 VanDerWaalsContact CD1-CA 3.5Å; I108-L156 HydrophobicContact CB-CD2 4.03Å; I108-L156 HydrophobicContact CB-CG 4.5Å; I108-L156 HydrophobicContact CD1-CD2 4.13Å; I108-L156 HydrophobicContact CG2-CB 4.21Å; I108-L156 HydrophobicContact CG2-CD2 3.9Å; I108-L156 HydrophobicContact CG2-CG 3.82Å; I108-L157 HydrophobicContact CG2-CB 4.05Å; I108-L157 HydrophobicContact CG2-CD1 4.36Å; I108-L160 HydrophobicContact CG2-CD1 4.05Å
109R98.8Very high98.6Very high95 Ų9551 Ų5136%0.35825%0.254SS..Hα-helixtrans-66.4-43.4179-71.4174.7-169.7-784.1111.8T105 C106 S107 A112 Q113 L156 L160 L314T105-R109 WeakPolarHBondContact O-CB 3.22Å; T105-R109 VanDerWaalsContact O-CG 3.26Å; T105-R109 WeakPolarHBondContact O-CG 3.17Å; T105-R109 PolarHBondContact O-N 3.38Å; C106-R109 PolarHBondContact O-N 3.44Å; S107-R109 PolarHBondContact O-N 3.15Å; R109-A112 PolarHBondContact O-N 3.45Å; R109-Q113 WeakPolarHBondContact O-CB 3.38Å; R109-Q113 PolarHBondContact O-N 3.36Å; R109-L156 HydrophobicContact CG-CD2 4.38Å; R109-L160 HydrophobicContact CG-CD1 3.98Å; R109-L314 PolarHBondContact NH2-O 3.1Å
110A98.8Very high98.5Very high56 Ų5651 Ų5146%0.46326%0.258SS..Hα-helixtrans-62.9-44.7176.800000111.5C106 S107 Q113 K114C106-A110 VanDerWaalsContact O-CB 3.31Å; C106-A110 WeakPolarHBondContact O-CB 3.39Å; C106-A110 PolarHBondContact O-N 3.27Å; S107-A110 PolarHBondContact O-N 2.9Å; A110-Q113 PolarHBondContact O-N 3.04Å; A110-K114 WeakPolarHBondContact O-CB 3.36Å; A110-K114 PolarHBondContact O-N 2.96Å
111F98.9Very high98.5Very high14 Ų1455.5 Ų55.56%0.06128%0.278CS..Hα-helixtrans-56.3-53.6173.5172.5-90.4000110.9L46 A72 R98 E99 L100 S107 Q113 K114 F115 L157L46-F111 HydrophobicContact CD1-CE1 4.44Å; L46-F111 HydrophobicContact CD1-CZ 3.74Å; L46-F111 HydrophobicContact CD2-CE1 3.8Å; L46-F111 HydrophobicContact CD2-CZ 3.91Å; A72-F111 HydrophobicContact CB-CE2 4.07Å; A72-F111 HydrophobicContact CB-CZ 4.12Å; R98-F111 HydrophobicContact CB-CD2 4.27Å; R98-F111 HydrophobicContact CB-CE2 3.66Å; R98-F111 HydrophobicContact CG-CE2 4.44Å; E99-F111 VanDerWaalsContact O-CD2 3.25Å; E99-F111 WeakPolarHBondContact O-CD2 3.26Å; L100-F111 HydrophobicContact CB-CD2 4.07Å; L100-F111 HydrophobicContact CB-CE2 4.47Å; L100-F111 HydrophobicContact CB-CG 4.33Å; L100-F111 HydrophobicContact CD1-CB 3.78Å; L100-F111 HydrophobicContact CD1-CD1 4.16Å; L100-F111 HydrophobicContact CD1-CD2 4.46Å; L100-F111 HydrophobicContact CD1-CG 3.87Å; S107-F111 VanDerWaalsContact O-CB 3.32Å; S107-F111 WeakPolarHBondContact O-CB 3.24Å; S107-F111 PolarHBondContact O-N 3.43Å; F111-Q113 PolarHBondContact O-N 3.42Å; F111-K114 PolarHBondContact O-N 2.97Å; F111-F115 HydrophobicContact CE1-CB 4.18Å; F111-F115 AromaticContact CE1-CD2 3.96Å; F111-F115 HydrophobicContact CE1-CD2 3.96Å; F111-F115 HydrophobicContact CE1-CG 4.23Å; F111-F115 HydrophobicContact CE2-CD2 4.4Å; F111-F115 HydrophobicContact CZ-CB 4.44Å; F111-F115 AromaticContact CZ-CD2 3.6Å; F111-F115 HydrophobicContact CZ-CD2 3.6Å; F111-F115 HydrophobicContact CZ-CE2 4.21Å; F111-F115 HydrophobicContact CZ-CG 4.31Å; F111-F115 VanDerWaalsContact O-CB 3.25Å; F111-F115 WeakPolarHBondContact O-CB 3.32Å; F111-F115 PolarHBondContact O-N 2.67Å; F111-L157 HydrophobicContact CD1-CD1 3.66Å; F111-L157 HydrophobicContact CE1-CD1 3.76Å
112A98.8Very high98.5Very high1 Ų153.8 Ų53.81%0.00827%0.269CS..Hα-helixtrans-63.1-41.6-176.800000112I108 R109 K114 F115 L116 L160 L161I108-A112 WeakPolarHBondContact O-CB 3.48Å; I108-A112 PolarHBondContact O-N 3.46Å; R109-A112 PolarHBondContact O-N 3.45Å; A112-K114 PolarHBondContact O-N 3.3Å; A112-F115 PolarHBondContact O-N 2.81Å; A112-L116 WeakPolarHBondContact O-CB 3.3Å; A112-L116 WeakPolarHBondContact O-CG 3.42Å; A112-L116 PolarHBondContact O-N 3.2Å; A112-L160 HydrophobicContact CB-CB 3.62Å; A112-L160 HydrophobicContact CB-CD1 3.71Å; A112-L160 HydrophobicContact CB-CG 4.26Å; A112-L161 HydrophobicContact CB-CD2 4.24Å
113Q98.6Very high98.5Very high118 Ų11854.2 Ų54.255%0.55127%0.271SS*.Hα-helixtrans-60.1-46.4176.6-171.5-171.335.300111.4R109 A110 F111 R117R109-Q113 WeakPolarHBondContact O-CB 3.38Å; R109-Q113 PolarHBondContact O-N 3.36Å; A110-Q113 PolarHBondContact O-N 3.04Å; F111-Q113 PolarHBondContact O-N 3.42Å; Q113-R117 WeakPolarHBondContact O-CG 3.14Å; Q113-R117 PolarHBondContact O-N 3.38Å
114K98.6Very high98.5Very high108 Ų10854.1 Ų54.147%0.4727%0.269SS..Hα-helixtrans-65.2-44.6176.8-174.4176.8178.5-178.90111.3A110 F111 A112 L116 R117 E118A110-K114 WeakPolarHBondContact O-CB 3.36Å; A110-K114 PolarHBondContact O-N 2.96Å; F111-K114 PolarHBondContact O-N 2.97Å; A112-K114 PolarHBondContact O-N 3.3Å; K114-L116 PolarHBondContact O-N 3.1Å; K114-R117 PolarHBondContact O-N 3.01Å; K114-E118 WeakPolarHBondContact CE-OE1 3.44Å; K114-E118 VanDerWaalsContact CG-OE1 3.24Å; K114-E118 WeakPolarHBondContact CG-OE1 3.41Å; K114-E118 WeakPolarHBondContact O-CG 3.27Å; K114-E118 PolarHBondContact O-N 3.09Å
115F98.7Very high98.5Very high0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-57.8-47.4178.9-168.3-84.7000111.8L46 I70 F111 A112 R117 E118 V119 L122 L161 L164L46-F115 HydrophobicContact CB-CE2 4.42Å; L46-F115 HydrophobicContact CB-CZ 4.3Å; L46-F115 HydrophobicContact CD1-CE2 4.13Å; L46-F115 HydrophobicContact CD2-CD2 4.44Å; L46-F115 HydrophobicContact CD2-CE2 3.96Å; L46-F115 HydrophobicContact CD2-CZ 4.11Å; L46-F115 HydrophobicContact CG-CE2 4.41Å; I70-F115 HydrophobicContact CB-CE2 4.43Å; I70-F115 HydrophobicContact CD1-CD2 4.41Å; I70-F115 HydrophobicContact CD1-CE2 3.42Å; I70-F115 VanDerWaalsContact CD1-CE2 3.42Å; I70-F115 HydrophobicContact CD1-CZ 3.82Å; I70-F115 HydrophobicContact CG1-CE2 4.48Å; I70-F115 HydrophobicContact CG2-CE2 4.13Å; F111-F115 HydrophobicContact CE1-CB 4.18Å; F111-F115 AromaticContact CE1-CD2 3.96Å; F111-F115 HydrophobicContact CE1-CD2 3.96Å; F111-F115 HydrophobicContact CE1-CG 4.23Å; F111-F115 HydrophobicContact CE2-CD2 4.4Å; F111-F115 HydrophobicContact CZ-CB 4.44Å; F111-F115 AromaticContact CZ-CD2 3.6Å; F111-F115 HydrophobicContact CZ-CD2 3.6Å; F111-F115 HydrophobicContact CZ-CE2 4.21Å; F111-F115 HydrophobicContact CZ-CG 4.31Å; F111-F115 VanDerWaalsContact O-CB 3.25Å; F111-F115 WeakPolarHBondContact O-CB 3.32Å; F111-F115 PolarHBondContact O-N 2.67Å; A112-F115 PolarHBondContact O-N 2.81Å; F115-R117 VanDerWaalsContact C-N 3.25Å; F115-R117 PolarHBondContact O-N 3Å; F115-E118 PolarHBondContact O-N 3.46Å; F115-E118 VanDerWaalsContact O-N 3.16Å; F115-V119 HydrophobicContact CD1-CB 3.94Å; F115-V119 HydrophobicContact CD1-CG1 4.45Å; F115-V119 HydrophobicContact CD1-CG2 4.17Å; F115-V119 HydrophobicContact CD2-CG2 4.03Å; F115-V119 HydrophobicContact CE1-CB 3.67Å; F115-V119 HydrophobicContact CE1-CG1 3.69Å; F115-V119 HydrophobicContact CE1-CG2 4Å; F115-V119 HydrophobicContact CE2-CB 4.46Å; F115-V119 HydrophobicContact CE2-CG2 3.88Å; F115-V119 HydrophobicContact CG-CB 4.43Å; F115-V119 HydrophobicContact CG-CG2 4.17Å; F115-V119 HydrophobicContact CZ-CB 3.96Å; F115-V119 HydrophobicContact CZ-CG1 3.77Å; F115-V119 HydrophobicContact CZ-CG2 3.86Å; F115-V119 VanDerWaalsContact O-CB 3.32Å; F115-V119 WeakPolarHBondContact O-CB 3.3Å; F115-V119 PolarHBondContact O-N 3Å; F115-L122 HydrophobicContact CE1-CB 4.33Å; F115-L122 HydrophobicContact CE1-CD2 4.1Å; F115-L122 HydrophobicContact CZ-CD1 4.19Å; F115-L122 HydrophobicContact CZ-CD2 4.37Å; F115-L161 HydrophobicContact CB-CD2 4.5Å; F115-L161 HydrophobicContact CD1-CD2 3.76Å; F115-L161 HydrophobicContact CE1-CD2 4.38Å; F115-L161 HydrophobicContact CG-CD2 4.36Å; F115-L164 HydrophobicContact CD1-CD2 4.05Å; F115-L164 HydrophobicContact CE1-CD2 3.7Å
116L98.6Very high98.6Very high70 Ų7051.5 Ų51.537%0.36625%0.254SS..Hα-helixtrans-66.5-23.7-179.9-70.2169.2000113.7A112 K114 L161 L164A112-L116 WeakPolarHBondContact O-CB 3.3Å; A112-L116 WeakPolarHBondContact O-CG 3.42Å; A112-L116 PolarHBondContact O-N 3.2Å; K114-L116 PolarHBondContact O-N 3.1Å; L116-L161 HydrophobicContact CD2-CD2 4.08Å; L116-L161 HydrophobicContact CG-CD2 4.1Å; L116-L164 HydrophobicContact CD2-CB 3.79Å; L116-L164 HydrophobicContact CD2-CD2 4.03Å; L116-L164 HydrophobicContact CD2-CG 4.43Å
117R98.2Very high98.6Very high165 Ų16547.4 Ų47.462%0.62323%0.226SC*.Hα-helixtrans-78.3-30.5173.7-72.1-173-63.1-137.2-1.7113Q113 K114 F115Q113-R117 WeakPolarHBondContact O-CG 3.14Å; Q113-R117 PolarHBondContact O-N 3.38Å; K114-R117 PolarHBondContact O-N 3.01Å; F115-R117 VanDerWaalsContact C-N 3.25Å; F115-R117 PolarHBondContact O-N 3Å
118E97.9Very high98.6Very high90 Ų9047.2 Ų47.242%0.42122%0.224SC..Hα-helixtrans-106.8-20.8-169.2-66.2171.6-176.100113.6R98 K114 F115R98-E118 IonicContact CZ-OE2 2.96Å; R98-E118 VanDerWaalsContact CZ-OE2 3.25Å; R98-E118 IonicContact NH1-OE2 2.86Å; R98-E118 PolarHBondContact NH1-OE2 3.42Å; R98-E118 IonicContact NH2-OE2 3.74Å; R98-E118 PolarHBondContact NH2-OE2 3.01Å; R98-E118 VanDerWaalsContact NH2-OE2 3.11Å; K114-E118 WeakPolarHBondContact CE-OE1 3.44Å; K114-E118 VanDerWaalsContact CG-OE1 3.24Å; K114-E118 WeakPolarHBondContact CG-OE1 3.41Å; K114-E118 WeakPolarHBondContact O-CG 3.27Å; K114-E118 PolarHBondContact O-N 3.09Å; F115-E118 PolarHBondContact O-N 3.46Å; F115-E118 VanDerWaalsContact O-N 3.16Å
119V98.1Very high98.4Very high2 Ų248 Ų481%0.01223%0.23CC..  trans-116.8112.8-174-176.60000110.1T44 I70 F115 H121 L164T44-V119 HydrophobicContact CG2-CG1 4.01Å; I70-V119 HydrophobicContact CD1-CG2 3.87Å; F115-V119 HydrophobicContact CD1-CB 3.94Å; F115-V119 HydrophobicContact CD1-CG1 4.45Å; F115-V119 HydrophobicContact CD1-CG2 4.17Å; F115-V119 HydrophobicContact CD2-CG2 4.03Å; F115-V119 HydrophobicContact CE1-CB 3.67Å; F115-V119 HydrophobicContact CE1-CG1 3.69Å; F115-V119 HydrophobicContact CE1-CG2 4Å; F115-V119 HydrophobicContact CE2-CB 4.46Å; F115-V119 HydrophobicContact CE2-CG2 3.88Å; F115-V119 HydrophobicContact CG-CB 4.43Å; F115-V119 HydrophobicContact CG-CG2 4.17Å; F115-V119 HydrophobicContact CZ-CB 3.96Å; F115-V119 HydrophobicContact CZ-CG1 3.77Å; F115-V119 HydrophobicContact CZ-CG2 3.86Å; F115-V119 VanDerWaalsContact O-CB 3.32Å; F115-V119 WeakPolarHBondContact O-CB 3.3Å; F115-V119 PolarHBondContact O-N 3Å; V119-H121 VanDerWaalsContact CG1-O 3.23Å; V119-H121 WeakPolarHBondContact CG1-O 3.48Å; V119-L164 HydrophobicContact CG1-CD2 4.44Å
120N97.1Very high98.1Very high128 Ų12844.6 Ų44.668%0.68423%0.225SC*.SBendtrans-80.3-25.8-177-64.2-37.3000113.8L164N120-L164 VanDerWaalsContact O-CD1 3.27Å; N120-L164 WeakPolarHBondContact O-CD1 3.24Å
121H98.1Very high97.7Very high99 Ų9942.7 Ų42.746%0.45821%0.207SC..  trans-140.4135.8-179.4-60.2-74000111.1T44 V119 S168T44-H121 WeakPolarHBondContact CB-O 3.25Å; V119-H121 VanDerWaalsContact CG1-O 3.23Å; V119-H121 WeakPolarHBondContact CG1-O 3.48Å; H121-S168 VanDerWaalsContact CA-OG 3.29Å; H121-S168 WeakPolarHBondContact CA-OG 3.35Å
122L98.8Very high97.2Very high0 Ų043.1 Ų43.10%021%0.21CC..  trans-127.4108172.1175.958.6000108.5L46 F115 I124 L161 L164 L165 S168L46-L122 HydrophobicContact CB-CD1 3.69Å; F115-L122 HydrophobicContact CE1-CB 4.33Å; F115-L122 HydrophobicContact CE1-CD2 4.1Å; F115-L122 HydrophobicContact CZ-CD1 4.19Å; F115-L122 HydrophobicContact CZ-CD2 4.37Å; L122-I124 WeakPolarHBondContact CD1-O 3.34Å; L122-L161 HydrophobicContact CD2-CB 4.23Å; L122-L161 HydrophobicContact CD2-CD1 4.01Å; L122-L164 HydrophobicContact CB-CD2 3.68Å; L122-L164 HydrophobicContact CB-CG 3.91Å; L122-L165 HydrophobicContact CD2-CD2 4.04Å; L122-L165 HydrophobicContact CD2-CG 4.09Å; L122-L165 HydrophobicContact CG-CD2 3.87Å; L122-L165 HydrophobicContact CG-CG 4.35Å; L122-S168 PolarHBondContact N-OG 3.01Å; L122-S168 WeakPolarHBondContact O-CB 3.49Å; L122-S168 PolarHBondContact O-OG 3.03Å
123H98.8Very high96.5Very high22 Ų2245.4 Ų45.410%0.10222%0.221CC..  trans-95.8-30.1-173.6-62.291.9000112.2K43 T44 S168 A171 R172K43-H123 HydrophobicContact CB-CB 4.24Å; K43-H123 HydrophobicContact CD-CB 3.99Å; K43-H123 WeakPolarHBondContact CD-CD2 3.44Å; K43-H123 VanDerWaalsContact CD-CG 3.46Å; K43-H123 WeakPolarHBondContact CD-NE2 3.46Å; K43-H123 PolarHBondContact NZ-CD2 3.43Å; K43-H123 VanDerWaalsContact NZ-CD2 3.34Å; K43-H123 PolarHBondContact NZ-NE2 3.39Å; T44-H123 PolarHBondContact N-ND1 2.95Å; T44-H123 PolarHBondContact O-N 3.3Å; H123-S168 PolarHBondContact CD2-O 2.88Å; H123-A171 CarbonylContact O-C 3.56Å; H123-A171 WeakPolarHBondContact O-CA 3.4Å; H123-A171 WeakPolarHBondContact O-CB 3.19Å; H123-R172 PolarHBondContact O-N 3.17Å
124I98.9Very high95.8Very high6 Ų640.1 Ų40.13%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-137.7123.5-179.7-55.9169.9000108.7L40 T44 V45 L46 L122 I126 R172 A272L40-I124 HydrophobicContact CD1-CD1 4.16Å; L40-I124 HydrophobicContact CD2-CD1 3.99Å; T44-I124 PolarHBondContact O-N 2.94Å; V45-I124 CarbonylContact C-O 3.45Å; V45-I124 VanDerWaalsContact CA-O 3.31Å; V45-I124 WeakPolarHBondContact CA-O 3.39Å; V45-I124 HydrophobicContact CB-CB 4.41Å; V45-I124 HydrophobicContact CG1-CB 4.07Å; V45-I124 HydrophobicContact CG1-CG2 4.14Å; V45-I124 HydrophobicContact CG2-CB 4.04Å; V45-I124 HydrophobicContact CG2-CD1 4.05Å; V45-I124 HydrophobicContact CG2-CG1 4.42Å; L46-I124 PolarHBondContact N-O 3.29Å; L122-I124 WeakPolarHBondContact CD1-O 3.34Å; I124-I126 HydrophobicContact CG2-CD1 4.15Å; I124-I126 HydrophobicContact CG2-CG1 3.77Å; I124-R172 CarbonylContact C-O 3.59Å; I124-R172 VanDerWaalsContact CA-O 3.3Å; I124-R172 WeakPolarHBondContact CA-O 3.24Å; I124-A272 HydrophobicContact CD1-CB 4.31Å; I124-A272 WeakPolarHBondContact CD1-O 3.46Å; I124-A272 HydrophobicContact CG2-CB 4.01Å
125L98.9Very high95.3Very high0 Ų039.1 Ų39.10%020%0.202CC..EExtended strand (participates in β ladder)trans-109.2124.2168.7173.361.4000108.9L46 L157 T158 L165 R172 V173 V174L46-L125 HydrophobicContact CB-CD1 4.12Å; L46-L125 HydrophobicContact CD2-CD1 3.86Å; L46-L125 HydrophobicContact CG-CD1 3.93Å; L125-L157 HydrophobicContact CD1-CD2 4.4Å; L125-T158 HydrophobicContact CD2-CG2 4.13Å; L125-L165 HydrophobicContact CB-CD1 4.45Å; L125-L165 HydrophobicContact CB-CD2 4.24Å; L125-L165 HydrophobicContact CD2-CD1 4.12Å; L125-R172 PolarHBondContact N-O 3.47Å; L125-V173 HydrophobicContact CB-CG1 4.49Å; L125-V173 HydrophobicContact CB-CG2 4.37Å; L125-V173 HydrophobicContact CD2-CG1 4.26Å; L125-V173 HydrophobicContact CG-CG1 4.4Å; L125-V173 CarbonylContact O-C 3.57Å; L125-V173 VanDerWaalsContact O-CA 3.32Å; L125-V173 WeakPolarHBondContact O-CA 3.49Å; L125-V174 PolarHBondContact O-N 3.42Å
126I98.9Very high95.2Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-115.4104.1176.1-50.1-172.6000108.8V45 L46 I47 T48 T58 L62 I124 N128 V174 V176 A272V45-I126 HydrophobicContact CG1-CD1 4.39Å; L46-I126 PolarHBondContact O-N 3.39Å; I47-I126 HydrophobicContact CB-CB 4.42Å; I47-I126 HydrophobicContact CD1-CD1 4.22Å; I47-I126 HydrophobicContact CG1-CB 4.19Å; I47-I126 HydrophobicContact CG1-CD1 4.12Å; I47-I126 HydrophobicContact CG1-CG1 4.29Å; I47-I126 HydrophobicContact CG2-CB 4.14Å; I47-I126 HydrophobicContact CG2-CG2 4.34Å; T48-I126 PolarHBondContact N-O 3.27Å; T48-I126 PolarHBondContact OG1-O 3.36Å; T58-I126 HydrophobicContact CG2-CD1 3.57Å; L62-I126 HydrophobicContact CD1-CD1 3.58Å; I124-I126 HydrophobicContact CG2-CD1 4.15Å; I124-I126 HydrophobicContact CG2-CG1 3.77Å; I126-N128 HydrophobicContact CG2-CB 3.84Å; I126-N128 PolarHBondContact O-N 3.09Å; I126-V174 WeakPolarHBondContact CA-O 2.97Å; I126-V174 HydrophobicContact CG1-CB 4.32Å; I126-V174 HydrophobicContact CG2-CB 4.31Å; I126-V174 HydrophobicContact CG2-CG1 4.49Å; I126-V176 HydrophobicContact CG2-CG2 4.39Å; I126-A272 HydrophobicContact CD1-CB 4.29Å
127N98.9Very high95Very high0 Ų042.7 Ų42.70%022%0.217CC..EExtended strand (participates in β ladder)trans-79.177.4172.6-68.6-21.5000108.3H154 T158 V174 V175 V176N127-H154 HydrophobicContact CB-CB 4.14Å; N127-H154 VanDerWaalsContact CB-CD2 3.46Å; N127-H154 WeakPolarHBondContact CB-CD2 3.45Å; N127-H154 PolarHBondContact OD1-CD2 2.8Å; N127-T158 PolarHBondContact ND2-OG1 2.79Å; N127-V174 PolarHBondContact N-O 2.87Å; N127-V175 HydrophobicContact CB-CG1 4.45Å; N127-V176 WeakPolarHBondContact O-CB 3.33Å; N127-V176 PolarHBondContact O-N 3.39Å
128N98.3Very high95Very high18 Ų1839.5 Ų39.510%0.09621%0.208CC..  trans-97.5-35.4-173160.386.6000113.6I47 T48 G49 G55 I126 V176I47-N128 HydrophobicContact CG2-CB 4.13Å; T48-N128 VanDerWaalsContact O-CB 3.31Å; T48-N128 WeakPolarHBondContact O-CB 3.36Å; T48-N128 PolarHBondContact O-ND2 2.88Å; T48-N128 PolarHBondContact OG1-N 2.99Å; G49-N128 PolarHBondContact O-ND2 3.28Å; G55-N128 VanDerWaalsContact CA-ND2 3.35Å; G55-N128 WeakPolarHBondContact CA-ND2 3.4Å; I126-N128 HydrophobicContact CG2-CB 3.84Å; I126-N128 PolarHBondContact O-N 3.09Å; N128-V176 HydrophobicContact CB-CG2 3.9Å
129A94.5Very high95Very high15 Ų1535.7 Ų35.712%0.12419%0.191CC..  trans-52.9150.5-174.100000112.1T48 L102 H154T48-A129 PolarHBondContact O-N 2.96Å; T48-A129 VanDerWaalsContact O-N 3.09Å; T48-A129 WeakPolarHBondContact OG1-CB 3.49Å; T48-A129 PolarHBondContact OG1-N 2.99Å; L102-A129 HydrophobicContact CD1-CB 3.47Å; L102-A129 VanDerWaalsContact CD1-CB 3.47Å; A129-H154 PolarHBondContact O-CE1 2.65Å
130G92.8Very high95Very high25 Ų2541.4 Ų41.426%0.25822%0.22SC..  trans-176.2161.4170.900000113.9N150 L240G130-N150 WeakPolarHBondContact CA-OD1 3.25Å; G130-L240 WeakPolarHBondContact O-CD1 3.19Å
131V91.3Very high95Very high15 Ų1537.9 Ų37.99%0.09120%0.201CC..  trans-120.2152.1174.1-62.80000109.1M145 H146 V149 N150 Y203V131-M145 HydrophobicContact CG2-CG 4.03Å; V131-H146 PolarHBondContact O-CD2 3.45Å; V131-V149 HydrophobicContact CG1-CG1 4.26Å; V131-V149 HydrophobicContact CG2-CB 4.04Å; V131-V149 HydrophobicContact CG2-CG1 4.26Å; V131-V149 HydrophobicContact CG2-CG2 4.46Å; V131-N150 PolarHBondContact N-OD1 2.86Å; V131-N150 PolarHBondContact O-ND2 2.9Å; V131-N150 PolarHBondContact O-OD1 3.42Å; V131-Y203 WeakPolarHBondContact O-CD2 3.43Å; V131-Y203 WeakPolarHBondContact O-CE2 3.42Å
132M87.9Confident95Very high24 Ų2434.6 Ų34.612%0.11819%0.194CC..  trans-146.5140.5-174.5178.2177.285.200110.1C134 H146 Y203 L240 T241M132-C134 PolarHBondContact O-N 2.94Å; M132-C134 VanDerWaalsContact O-N 3.09Å; M132-H146 VanDerWaalsContact C-NE2 3.34Å; M132-Y203 HydrophobicContact CB-CD2 3.82Å; M132-Y203 HydrophobicContact CB-CE1 4.5Å; M132-Y203 HydrophobicContact CB-CE2 3.66Å; M132-Y203 HydrophobicContact CB-CG 4.3Å; M132-Y203 HydrophobicContact CG-CD1 3.79Å; M132-Y203 HydrophobicContact CG-CD2 3.85Å; M132-Y203 HydrophobicContact CG-CE1 3.79Å; M132-Y203 HydrophobicContact CG-CE2 3.84Å; M132-Y203 HydrophobicContact CG-CG 3.81Å; M132-Y203 HydrophobicContact SD-CD1 4.09Å; M132-Y203 HydrophobicContact SD-CE1 3.59Å; M132-Y203 VanDerWaalsContact SD-CE1 3.59Å; M132-Y203 HydrophobicContact SD-CE2 4.38Å; M132-L240 HydrophobicContact CB-CD1 3.53Å; M132-L240 HydrophobicContact CB-CD2 4.18Å; M132-L240 HydrophobicContact CB-CG 3.5Å; M132-L240 VanDerWaalsContact CB-CG 3.5Å; M132-L240 HydrophobicContact CE-CB 4.48Å; M132-L240 HydrophobicContact CE-CD2 4.49Å; M132-L240 HydrophobicContact CE-CG 4.06Å; M132-L240 HydrophobicContact CG-CG 4.29Å; M132-L240 HydrophobicContact SD-CD2 3.95Å; M132-L240 HydrophobicContact SD-CG 3.96Å; M132-T241 HydrophobicContact CE-CG2 3.74Å
133M84.4Confident94.9Very high48 Ų4835.5 Ų35.524%0.23620%0.198CC..SBendtrans52.530176.4-62.8-66.4-77.900113.5H146 S199 G200M133-H146 PolarHBondContact N-NE2 2.93Å; M133-S199 VanDerWaalsContact CE-OG 3.27Å; M133-S199 WeakPolarHBondContact CE-OG 3.12Å; M133-S199 VanDerWaalsContact SD-C 3.58Å; M133-S199 PolarHBondContact SD-OG 2.79Å; M133-S199 VanDerWaalsContact SD-OG 3.34Å; M133-G200 WeakPolarHBondContact SD-CA 3.23Å; M133-G200 PolarHBondContact SD-N 2.9Å
134C83.2Confident94.9Very high8 Ų834.5 Ų34.55%0.05419%0.193CC..  trans-65149.2174.8-64.50000110.7M132 M145 H146 Y197 S199 H243M132-C134 PolarHBondContact O-N 2.94Å; M132-C134 VanDerWaalsContact O-N 3.09Å; C134-M145 HydrophobicContact CB-CG 4.41Å; C134-H146 PolarHBondContact N-CE1 3.21Å; C134-H146 VanDerWaalsContact N-CE1 3.25Å; C134-H146 PolarHBondContact N-NE2 2.96Å; C134-H146 VanDerWaalsContact N-NE2 3.12Å; C134-Y197 WeakPolarHBondContact O-CE1 3.36Å; C134-Y197 PolarHBondContact O-OH 3.23Å; C134-S199 WeakPolarHBondContact O-CB 3.03Å; C134-H243 VanDerWaalsContact SG-CD2 3.58Å
135P89.3Confident94.8Very high86 Ų8635.6 Ų35.656%0.55820%0.199SC*.  trans-56.7158.3162.7-21.633000111.1T137P135-T137 PolarHBondContact O-N 3.18Å; P135-T137 PolarHBondContact O-OG1 2.9Å
136Y95Very high94.8Very high87 Ų8735.6 Ų35.634%0.34120%0.199SC..SBendtrans-58.4111.2176.6-175.8-105.8000110K138 E144 H192 Q194 Y197Y136-K138 WeakPolarHBondContact OH-CE 3.02Å; Y136-E144 HydrophobicContact CD2-CG 4.43Å; Y136-E144 HydrophobicContact CE2-CG 4.18Å; Y136-H192 WeakPolarHBondContact CE2-O 3.43Å; Y136-Q194 WeakPolarHBondContact OH-CG 3.43Å; Y136-Y197 HydrophobicContact CD2-CD1 4.3Å; Y136-Y197 AromaticContact CD2-CD2 3.43Å; Y136-Y197 HydrophobicContact CD2-CD2 3.43Å; Y136-Y197 VanDerWaalsContact CD2-CD2 3.43Å; Y136-Y197 AromaticContact CD2-CE2 3.75Å; Y136-Y197 HydrophobicContact CD2-CE2 3.75Å; Y136-Y197 AromaticContact CD2-CG 3.7Å; Y136-Y197 HydrophobicContact CD2-CG 3.7Å; Y136-Y197 HydrophobicContact CE2-CD2 4.2Å; Y136-Y197 HydrophobicContact CG-CD1 4.44Å; Y136-Y197 HydrophobicContact CG-CD2 4.32Å; Y136-Y197 HydrophobicContact CG-CG 4.16Å; Y136-Y197 VanDerWaalsContact N-CE1 3.29Å
137T95.9Very high94.7Very high58 Ų5835.6 Ų35.636%0.35620%0.199SC..  trans-146.9160.8-178.946.80000107.7P135 M145P135-T137 PolarHBondContact O-N 3.18Å; P135-T137 PolarHBondContact O-OG1 2.9Å; T137-M145 WeakPolarHBondContact O-CB 3.47Å; T137-M145 PolarHBondContact O-N 3.14Å; T137-M145 WeakPolarHBondContact OG1-CB 3.4Å
138K97.5Very high94.7Very high98 Ų9835.7 Ų35.743%0.42620%0.199SC..BIsolated β-bridgetrans-116.8150179.3-67.1179.5174.6-173.20110.7Y136 G142 F143 M145Y136-K138 WeakPolarHBondContact OH-CE 3.02Å; K138-G142 WeakPolarHBondContact CD-O 3.42Å; K138-F143 CarbonylContact C-O 3.11Å; K138-F143 WeakPolarHBondContact CA-O 3.43Å; K138-M145 WeakPolarHBondContact O-CE 3.34Å
139T98.3Very high94.7Very high10 Ų1035.4 Ų35.46%0.06120%0.198CC..  trans-62.7170.4164.364.60000110.1A103 D141 G142 F143 V149A103-T139 HydrophobicContact CB-CG2 3.95Å; A103-T139 VanDerWaalsContact O-CB 3.26Å; A103-T139 WeakPolarHBondContact O-CB 3.38Å; T139-D141 PolarHBondContact O-N 3.43Å; T139-G142 PolarHBondContact O-N 3.28Å; T139-G142 PolarHBondContact OG1-N 2.79Å; T139-F143 HydrophobicContact CG2-CB 4.31Å; T139-F143 PolarHBondContact N-O 3.48Å; T139-F143 WeakPolarHBondContact OG1-CB 3.32Å; T139-F143 PolarHBondContact OG1-N 3.27Å; T139-F143 PolarHBondContact OG1-O 3.27Å; T139-V149 HydrophobicContact CG2-CG2 4.48Å
140I97.8Very high94.9Very high122 Ų12234.7 Ų34.763%0.62619%0.193SC*.THydrogen-bonded Turntrans-57.3-38.3175.1-74167.8000110.5A103 D104 G142A103-I140 PolarHBondContact O-N 3.44Å; D104-I140 HydrophobicContact CB-CB 4.35Å; D104-I140 HydrophobicContact CB-CD1 3.7Å; D104-I140 HydrophobicContact CB-CG1 4.5Å; I140-G142 PolarHBondContact O-N 3.02Å
141D97.4Very high95.2Very high55 Ų5533.6 Ų33.629%0.29418%0.181SC..THydrogen-bonded Turntrans-77.61.7177.7-46.6-87.4000114.3T105 T139 F143T105-D141 WeakPolarHBondContact CB-OD1 3.18Å; T105-D141 HydrophobicContact CG2-CB 4.31Å; T105-D141 VanDerWaalsContact CG2-CG 3.4Å; T105-D141 WeakPolarHBondContact CG2-OD1 3.06Å; T105-D141 VanDerWaalsContact CG2-OD2 3.3Å; T105-D141 WeakPolarHBondContact CG2-OD2 3.12Å; T105-D141 PolarHBondContact N-OD2 2.78Å; T105-D141 PolarHBondContact OG1-OD1 2.75Å; T139-D141 PolarHBondContact O-N 3.43Å; D141-F143 HydrophobicContact CB-CD2 3.99Å; D141-F143 HydrophobicContact CB-CE2 3.63Å; D141-F143 HydrophobicContact CB-CZ 4.03Å
142G97.3Very high95.5Very high29 Ų2933 Ų3330%0.29918%0.177SC..SBendtrans87.17.2175.100000116K138 T139 I140K138-G142 WeakPolarHBondContact CD-O 3.42Å; T139-G142 PolarHBondContact O-N 3.28Å; T139-G142 PolarHBondContact OG1-N 2.79Å; I140-G142 PolarHBondContact O-N 3.02Å
143F98Very high96Very high20 Ų2032 Ų329%0.08817%0.172CC..  trans-78.9147.9175.6-49.1-44.7000111.1T105 K138 T139 D141 M145 L152 H192 L313 L314T105-F143 HydrophobicContact CG2-CE2 4.34Å; K138-F143 CarbonylContact C-O 3.11Å; K138-F143 WeakPolarHBondContact CA-O 3.43Å; T139-F143 HydrophobicContact CG2-CB 4.31Å; T139-F143 PolarHBondContact N-O 3.48Å; T139-F143 WeakPolarHBondContact OG1-CB 3.32Å; T139-F143 PolarHBondContact OG1-N 3.27Å; T139-F143 PolarHBondContact OG1-O 3.27Å; D141-F143 HydrophobicContact CB-CD2 3.99Å; D141-F143 HydrophobicContact CB-CE2 3.63Å; D141-F143 HydrophobicContact CB-CZ 4.03Å; F143-M145 PolarHBondContact O-N 3.34Å; F143-L152 HydrophobicContact CB-CD1 4.11Å; F143-L152 HydrophobicContact CD1-CD1 4.08Å; F143-L152 HydrophobicContact CD2-CD1 3.66Å; F143-L152 HydrophobicContact CE1-CD1 4.44Å; F143-L152 HydrophobicContact CE2-CD1 4.06Å; F143-L152 HydrophobicContact CG-CD1 3.67Å; F143-L152 HydrophobicContact CZ-CD1 4.43Å; F143-H192 AromaticContact CD1-CE1 3.45Å; F143-H192 VanDerWaalsContact CD1-CE1 3.45Å; F143-H192 WeakPolarHBondContact CD1-CE1 3.36Å; F143-L313 HydrophobicContact CE1-CB 4.08Å; F143-L313 HydrophobicContact CE1-CD2 4.15Å; F143-L313 HydrophobicContact CZ-CB 4.26Å; F143-L313 WeakPolarHBondContact CZ-O 3.26Å; F143-L314 HydrophobicContact CE2-CD2 4.15Å
144E98Very high96.7Very high0 Ų029.7 Ų29.70%016%0.161CC..BIsolated β-bridgetrans-54.6136.4169-172.9-75.3143.500110.8Y136 H146 I147 G148 H192 Y197Y136-E144 HydrophobicContact CD2-CG 4.43Å; Y136-E144 HydrophobicContact CE2-CG 4.18Å; E144-H146 VanDerWaalsContact CD-N 3.29Å; E144-H146 PolarHBondContact O-N 3.33Å; E144-H146 IonicContact OE1-CE1 3.95Å; E144-H146 IonicContact OE1-CG 3.12Å; E144-H146 PolarHBondContact OE1-N 2.89Å; E144-H146 VanDerWaalsContact OE1-N 3.17Å; E144-H146 IonicContact OE1-ND1 3.93Å; E144-H146 PolarHBondContact OE1-ND1 2.91Å; E144-H146 WeakPolarHBondContact OE2-CA 3.31Å; E144-H146 WeakPolarHBondContact OE2-CB 3.42Å; E144-H146 PolarHBondContact OE2-N 2.75Å; E144-H146 IonicContact OE2-ND1 3.67Å; E144-I147 HydrophobicContact CB-CG2 4.03Å; E144-I147 WeakPolarHBondContact O-CG2 3.22Å; E144-I147 PolarHBondContact O-N 3.41Å; E144-I147 PolarHBondContact OE2-N 3.19Å; E144-G148 WeakPolarHBondContact O-CA 3.32Å; E144-G148 PolarHBondContact O-N 3Å; E144-H192 HydrophobicContact CB-CB 4.23Å; E144-H192 WeakPolarHBondContact CB-O 3.34Å; E144-Y197 HydrophobicContact CG-CE2 3.9Å; E144-Y197 WeakPolarHBondContact OE1-CE2 3.44Å; E144-Y197 PolarHBondContact OE1-OH 3.44Å
145M97.7Very high97.5Very high30 Ų3029.4 Ų29.415%0.14816%0.159CC..Hα-helixtrans-55.7-41.8-167-175.959.863.600114.7A103 V131 C134 T137 K138 F143 V149A103-M145 HydrophobicContact CB-SD 4.42Å; V131-M145 HydrophobicContact CG2-CG 4.03Å; C134-M145 HydrophobicContact CB-CG 4.41Å; T137-M145 WeakPolarHBondContact O-CB 3.47Å; T137-M145 PolarHBondContact O-N 3.14Å; T137-M145 WeakPolarHBondContact OG1-CB 3.4Å; K138-M145 WeakPolarHBondContact O-CE 3.34Å; F143-M145 PolarHBondContact O-N 3.34Å; M145-V149 WeakPolarHBondContact O-CB 3.45Å; M145-V149 WeakPolarHBondContact O-CG2 3.42Å; M145-V149 PolarHBondContact O-N 2.92Å; M145-V149 HydrophobicContact SD-CG2 3.68Å
146H97.6Very high97.9Very high0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-70.6-50.5179.9-59.987.4000112V131 M132 M133 C134 E144 G148 N150 Y197 Y203V131-H146 PolarHBondContact O-CD2 3.45Å; M132-H146 VanDerWaalsContact C-NE2 3.34Å; M133-H146 PolarHBondContact N-NE2 2.93Å; C134-H146 PolarHBondContact N-CE1 3.21Å; C134-H146 VanDerWaalsContact N-CE1 3.25Å; C134-H146 PolarHBondContact N-NE2 2.96Å; C134-H146 VanDerWaalsContact N-NE2 3.12Å; E144-H146 VanDerWaalsContact CD-N 3.29Å; E144-H146 PolarHBondContact O-N 3.33Å; E144-H146 IonicContact OE1-CE1 3.95Å; E144-H146 IonicContact OE1-CG 3.12Å; E144-H146 PolarHBondContact OE1-N 2.89Å; E144-H146 VanDerWaalsContact OE1-N 3.17Å; E144-H146 IonicContact OE1-ND1 3.93Å; E144-H146 PolarHBondContact OE1-ND1 2.91Å; E144-H146 WeakPolarHBondContact OE2-CA 3.31Å; E144-H146 WeakPolarHBondContact OE2-CB 3.42Å; E144-H146 PolarHBondContact OE2-N 2.75Å; E144-H146 IonicContact OE2-ND1 3.67Å; H146-G148 VanDerWaalsContact C-N 3.3Å; H146-G148 PolarHBondContact O-N 2.98Å; H146-N150 WeakPolarHBondContact O-CB 3.46Å; H146-N150 VanDerWaalsContact O-CG 3.31Å; H146-N150 PolarHBondContact O-N 2.86Å; H146-Y197 PolarHBondContact CE1-OH 2.96Å; H146-Y197 PolarHBondContact ND1-OH 3.01Å; H146-Y197 VanDerWaalsContact ND1-OH 3.12Å; H146-Y203 AromaticContact CD2-CD2 3.93Å
147I98.2Very high98.1Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-67.4-35.2179.6-162.568000111.4E144 H151 L152 L191 A209E144-I147 HydrophobicContact CB-CG2 4.03Å; E144-I147 WeakPolarHBondContact O-CG2 3.22Å; E144-I147 PolarHBondContact O-N 3.41Å; E144-I147 PolarHBondContact OE2-N 3.19Å; I147-H151 HydrophobicContact CD1-CB 3.93Å; I147-H151 WeakPolarHBondContact O-CB 3.41Å; I147-H151 PolarHBondContact O-N 3.04Å; I147-L152 PolarHBondContact O-N 2.88Å; I147-L191 HydrophobicContact CG1-CD2 4.49Å; I147-L191 HydrophobicContact CG1-CG 4.29Å; I147-A209 HydrophobicContact CD1-CB 3.79Å
148G98.4Very high98.3Very high1 Ų118.4 Ų18.41%0.0110%0.099CC..Iπ-helixtrans-61.1-57.8175.800000111.9E144 H146 L152 G153E144-G148 WeakPolarHBondContact O-CA 3.32Å; E144-G148 PolarHBondContact O-N 3Å; H146-G148 VanDerWaalsContact C-N 3.3Å; H146-G148 PolarHBondContact O-N 2.98Å; G148-L152 PolarHBondContact O-N 3.28Å; G148-G153 PolarHBondContact O-N 3.28Å
149V98.2Very high98.3Very high13 Ų1316.7 Ų16.78%0.0799%0.091CC..Iπ-helixtrans-76.3-50.7-176.5172.40000112.5L102 A103 V131 T139 M145 H151L102-V149 HydrophobicContact CB-CG1 4.09Å; A103-V149 HydrophobicContact CB-CG2 3.76Å; V131-V149 HydrophobicContact CG1-CG1 4.26Å; V131-V149 HydrophobicContact CG2-CB 4.04Å; V131-V149 HydrophobicContact CG2-CG1 4.26Å; V131-V149 HydrophobicContact CG2-CG2 4.46Å; T139-V149 HydrophobicContact CG2-CG2 4.48Å; M145-V149 WeakPolarHBondContact O-CB 3.45Å; M145-V149 WeakPolarHBondContact O-CG2 3.42Å; M145-V149 PolarHBondContact O-N 2.92Å; M145-V149 HydrophobicContact SD-CG2 3.68Å; V149-H151 PolarHBondContact O-N 2.97Å
150N98.4Very high98.4Very high0 Ų018.2 Ų18.20%010%0.098CC..Iπ-helixtrans-73.2-31.1-168-61-14.5000112.2G130 V131 H146 H154 S206 N210G130-N150 WeakPolarHBondContact CA-OD1 3.25Å; V131-N150 PolarHBondContact N-OD1 2.86Å; V131-N150 PolarHBondContact O-ND2 2.9Å; V131-N150 PolarHBondContact O-OD1 3.42Å; H146-N150 WeakPolarHBondContact O-CB 3.46Å; H146-N150 VanDerWaalsContact O-CG 3.31Å; H146-N150 PolarHBondContact O-N 2.86Å; N150-H154 PolarHBondContact O-ND1 3.25Å; N150-S206 PolarHBondContact ND2-OG 3.45Å; N150-N210 PolarHBondContact O-ND2 3.44Å; N150-N210 PolarHBondContact O-OD1 2.7Å
151H98.8Very high98.4Very high2 Ų212.4 Ų12.41%0.0097%0.069CC..Iπ-helixtrans-117.3-65.9-174.6175.668.3000112.6I147 V149 G153 H154 F155 A209 S310I147-H151 HydrophobicContact CD1-CB 3.93Å; I147-H151 WeakPolarHBondContact O-CB 3.41Å; I147-H151 PolarHBondContact O-N 3.04Å; V149-H151 PolarHBondContact O-N 2.97Å; H151-G153 PolarHBondContact O-N 3.03Å; H151-H154 PolarHBondContact O-N 2.76Å; H151-F155 WeakPolarHBondContact O-CB 3.46Å; H151-F155 PolarHBondContact O-N 3.07Å; H151-A209 HydrophobicContact CB-CB 3.93Å; H151-S310 PolarHBondContact NE2-OG 2.9Å
152L98.8Very high98.4Very high1 Ų110.7 Ų10.71%0.0056%0.059CC..Iπ-helixtrans-62.2-40.9-171.3-66.6173.9000112.9F143 I147 G148 H154 F155 L156 L313 L314F143-L152 HydrophobicContact CB-CD1 4.11Å; F143-L152 HydrophobicContact CD1-CD1 4.08Å; F143-L152 HydrophobicContact CD2-CD1 3.66Å; F143-L152 HydrophobicContact CE1-CD1 4.44Å; F143-L152 HydrophobicContact CE2-CD1 4.06Å; F143-L152 HydrophobicContact CG-CD1 3.67Å; F143-L152 HydrophobicContact CZ-CD1 4.43Å; I147-L152 PolarHBondContact O-N 2.88Å; G148-L152 PolarHBondContact O-N 3.28Å; L152-H154 PolarHBondContact O-N 3.48Å; L152-F155 WeakPolarHBondContact O-CB 3.46Å; L152-F155 PolarHBondContact O-N 3.01Å; L152-L156 PolarHBondContact O-N 2.95Å; L152-L313 HydrophobicContact CD1-CD1 4.18Å; L152-L313 HydrophobicContact CD2-CD1 4.39Å; L152-L314 HydrophobicContact CB-CD2 4.39Å; L152-L314 HydrophobicContact CD2-CD1 4.29Å; L152-L314 HydrophobicContact CD2-CG 4.44Å
153G98.8Very high98.5Very high3 Ų310.7 Ų10.73%0.0316%0.059CC..Iπ-helixtrans-62.7-43.5176.500000112.3I108 G148 H151 L157I108-G153 VanDerWaalsContact CD1-CA 3.5Å; G148-G153 PolarHBondContact O-N 3.28Å; H151-G153 PolarHBondContact O-N 3.03Å; G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 PolarHBondContact O-N 2.95Å
154H98.9Very high98.5Very high1 Ų19.9 Ų9.91%0.0056%0.055CC..Hα-helixtrans-69.3-35.5174.5-73.4123.1000113T48 L102 N127 A129 N150 H151 L152 L157 T158T48-H154 PolarHBondContact OG1-NE2 3.5Å; L102-H154 VanDerWaalsContact CD1-NE2 3.34Å; L102-H154 WeakPolarHBondContact CD1-NE2 3.45Å; N127-H154 HydrophobicContact CB-CB 4.14Å; N127-H154 VanDerWaalsContact CB-CD2 3.46Å; N127-H154 WeakPolarHBondContact CB-CD2 3.45Å; N127-H154 PolarHBondContact OD1-CD2 2.8Å; A129-H154 PolarHBondContact O-CE1 2.65Å; N150-H154 PolarHBondContact O-ND1 3.25Å; H151-H154 PolarHBondContact O-N 2.76Å; L152-H154 PolarHBondContact O-N 3.48Å; H154-L157 PolarHBondContact O-N 3.39Å; H154-T158 VanDerWaalsContact O-CB 3.27Å; H154-T158 WeakPolarHBondContact O-CB 3.43Å; H154-T158 PolarHBondContact O-N 3.08Å; H154-T158 PolarHBondContact O-OG1 2.99Å
155F98.9Very high98.6Very high1 Ų19.9 Ų9.90%0.0046%0.055CC..Hα-helixtrans-58.8-52175.2-171.5-79.2000109.7H151 L152 T158 Y159 F213 W307 L314 I316 W318H151-F155 WeakPolarHBondContact O-CB 3.46Å; H151-F155 PolarHBondContact O-N 3.07Å; L152-F155 WeakPolarHBondContact O-CB 3.46Å; L152-F155 PolarHBondContact O-N 3.01Å; F155-T158 PolarHBondContact O-N 3.32Å; F155-Y159 WeakPolarHBondContact O-CB 3.4Å; F155-Y159 PolarHBondContact O-N 3.05Å; F155-F213 AromaticContact CD2-CD2 3.4Å; F155-F213 HydrophobicContact CD2-CD2 3.4Å; F155-F213 AromaticContact CD2-CE2 3.4Å; F155-F213 HydrophobicContact CD2-CE2 3.4Å; F155-F213 HydrophobicContact CD2-CG 4.4Å; F155-F213 HydrophobicContact CD2-CZ 4.4Å; F155-F213 AromaticContact CE2-CD2 3.76Å; F155-F213 HydrophobicContact CE2-CD2 3.76Å; F155-F213 AromaticContact CE2-CE2 3.79Å; F155-F213 HydrophobicContact CE2-CE2 3.79Å; F155-F213 HydrophobicContact CG-CD2 4.45Å; F155-F213 HydrophobicContact CG-CE2 4.13Å; F155-W307 AromaticContact CE2-CD2 3.67Å; F155-W307 HydrophobicContact CE2-CD2 3.67Å; F155-W307 AromaticContact CE2-CE3 3.57Å; F155-W307 HydrophobicContact CE2-CE3 3.57Å; F155-W307 HydrophobicContact CE2-CG 4.23Å; F155-W307 HydrophobicContact CE2-CH2 4.3Å; F155-W307 HydrophobicContact CE2-CZ2 4.38Å; F155-W307 AromaticContact CE2-CZ3 3.9Å; F155-W307 HydrophobicContact CE2-CZ3 3.9Å; F155-W307 AromaticContact CZ-CD2 3.74Å; F155-W307 HydrophobicContact CZ-CD2 3.74Å; F155-W307 AromaticContact CZ-CE2 3.71Å; F155-W307 HydrophobicContact CZ-CE3 4.11Å; F155-W307 HydrophobicContact CZ-CG 4.12Å; F155-W307 HydrophobicContact CZ-CH2 4.48Å; F155-W307 HydrophobicContact CZ-CZ2 4.14Å; F155-W307 HydrophobicContact CZ-CZ3 4.46Å; F155-W307 AromaticContact CZ-NE1 3.97Å; F155-L314 HydrophobicContact CB-CD1 4.23Å; F155-L314 HydrophobicContact CD1-CD1 3.56Å; F155-L314 HydrophobicContact CE1-CD1 4.36Å; F155-L314 HydrophobicContact CG-CD1 4.24Å; F155-I316 HydrophobicContact CD1-CD1 3.97Å; F155-I316 HydrophobicContact CE1-CD1 3.72Å; F155-W318 HydrophobicContact CD1-CZ3 4.32Å; F155-W318 AromaticContact CE1-CE3 3.72Å; F155-W318 HydrophobicContact CE1-CE3 3.72Å; F155-W318 AromaticContact CE1-CZ3 3.92Å; F155-W318 HydrophobicContact CE1-CZ3 3.92Å; F155-W318 AromaticContact CZ-CE3 3.84Å; F155-W318 HydrophobicContact CZ-CE3 3.84Å; F155-W318 HydrophobicContact CZ-CZ3 4.09Å
156L98.9Very high98.6Very high0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-62.6-45.3177.4-177.559.9000112.1T105 I108 R109 L152 T158 Y159 L160 L314 I316T105-L156 HydrophobicContact CG2-CD2 3.84Å; I108-L156 HydrophobicContact CB-CD2 4.03Å; I108-L156 HydrophobicContact CB-CG 4.5Å; I108-L156 HydrophobicContact CD1-CD2 4.13Å; I108-L156 HydrophobicContact CG2-CB 4.21Å; I108-L156 HydrophobicContact CG2-CD2 3.9Å; I108-L156 HydrophobicContact CG2-CG 3.82Å; R109-L156 HydrophobicContact CG-CD2 4.38Å; L152-L156 PolarHBondContact O-N 2.95Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 3.34Å; L156-Y159 HydrophobicContact CD1-CD1 4.31Å; L156-Y159 WeakPolarHBondContact O-CB 3.28Å; L156-Y159 PolarHBondContact O-N 2.76Å; L156-L160 HydrophobicContact CD1-CD1 3.99Å; L156-L160 HydrophobicContact CD1-CG 4.13Å; L156-L160 HydrophobicContact CG-CD1 3.91Å; L156-L160 HydrophobicContact CG-CG 4.46Å; L156-L160 VanDerWaalsContact O-CG 3.26Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.48Å; L156-L314 HydrophobicContact CB-CD1 3.99Å; L156-L314 HydrophobicContact CB-CD2 4.21Å; L156-L314 HydrophobicContact CD2-CD2 4.28Å; L156-I316 HydrophobicContact CD1-CD1 4.26Å; L156-I316 HydrophobicContact CD1-CG2 3.97Å
157L98.9Very high98.6Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-58.4-46177179.867000111.2T48 L100 I108 F111 L125 G153 H154 L160 L161T48-L157 HydrophobicContact CG2-CD2 3.5Å; T48-L157 VanDerWaalsContact CG2-CD2 3.5Å; L100-L157 HydrophobicContact CD2-CD1 4.41Å; L100-L157 HydrophobicContact CD2-CD2 3.94Å; I108-L157 HydrophobicContact CG2-CB 4.05Å; I108-L157 HydrophobicContact CG2-CD1 4.36Å; F111-L157 HydrophobicContact CD1-CD1 3.66Å; F111-L157 HydrophobicContact CE1-CD1 3.76Å; L125-L157 HydrophobicContact CD1-CD2 4.4Å; G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 PolarHBondContact O-N 2.95Å; H154-L157 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 3.21Å; L157-L161 HydrophobicContact CD1-CD1 3.76Å; L157-L161 HydrophobicContact CD1-CG 4.33Å; L157-L161 HydrophobicContact CG-CD1 4.08Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 WeakPolarHBondContact O-CG 3.31Å; L157-L161 PolarHBondContact O-N 2.89Å; L157-L161 VanDerWaalsContact O-N 3.12Å
158T98.9Very high98.6Very high0 Ų020.8 Ų20.80%010%0.098CC..Hα-helixtrans-66.3-41.8-179.5-53.10000111L125 N127 H154 F155 L156 L161 I162 F213 L217 W318L125-T158 HydrophobicContact CD2-CG2 4.13Å; N127-T158 PolarHBondContact ND2-OG1 2.79Å; H154-T158 VanDerWaalsContact O-CB 3.27Å; H154-T158 WeakPolarHBondContact O-CB 3.43Å; H154-T158 PolarHBondContact O-N 3.08Å; H154-T158 PolarHBondContact O-OG1 2.99Å; F155-T158 PolarHBondContact O-N 3.32Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 3.34Å; T158-L161 PolarHBondContact O-N 2.9Å; T158-I162 HydrophobicContact CG2-CD1 4.46Å; T158-I162 WeakPolarHBondContact O-CB 3.27Å; T158-I162 PolarHBondContact O-N 2.84Å; T158-F213 HydrophobicContact CG2-CZ 3.95Å; T158-L217 HydrophobicContact CG2-CD2 3.66Å; T158-W318 HydrophobicContact CG2-CH2 4.39Å
159Y98.8Very high98.6Very high63 Ų6322.5 Ų22.525%0.24711%0.112CC..Hα-helixtrans-53-54.3173174.4-113.3000111.5F155 L156 L161 I162 I316 D317 W318F155-Y159 WeakPolarHBondContact O-CB 3.4Å; F155-Y159 PolarHBondContact O-N 3.05Å; L156-Y159 HydrophobicContact CD1-CD1 4.31Å; L156-Y159 WeakPolarHBondContact O-CB 3.28Å; L156-Y159 PolarHBondContact O-N 2.76Å; Y159-L161 VanDerWaalsContact C-N 3.26Å; Y159-L161 PolarHBondContact O-N 2.88Å; Y159-I162 WeakPolarHBondContact O-CB 3.44Å; Y159-I162 WeakPolarHBondContact O-CG2 3.33Å; Y159-I162 PolarHBondContact O-N 3.26Å; Y159-I316 HydrophobicContact CD1-CB 4.17Å; Y159-I316 HydrophobicContact CD1-CD1 3.73Å; Y159-I316 HydrophobicContact CD1-CG2 4.02Å; Y159-I316 HydrophobicContact CD2-CD1 4.21Å; Y159-I316 HydrophobicContact CE1-CB 3.77Å; Y159-I316 HydrophobicContact CE1-CD1 4.2Å; Y159-I316 HydrophobicContact CE1-CG2 3.73Å; Y159-I316 HydrophobicContact CG-CD1 3.72Å; Y159-D317 WeakPolarHBondContact CE2-O 3.29Å; Y159-D317 VanDerWaalsContact CZ-O 3.24Å; Y159-D317 PolarHBondContact OH-O 3.49Å; Y159-W318 VanDerWaalsContact CA-CH2 3.41Å; Y159-W318 HydrophobicContact CD2-CB 4.44Å; Y159-W318 AromaticContact CD2-CD2 3.58Å; Y159-W318 HydrophobicContact CD2-CD2 3.58Å; Y159-W318 AromaticContact CD2-CE3 3.3Å; Y159-W318 HydrophobicContact CD2-CE3 3.3Å; Y159-W318 HydrophobicContact CD2-CG 4.15Å; Y159-W318 HydrophobicContact CD2-CH2 4.32Å; Y159-W318 AromaticContact CD2-CZ3 3.73Å; Y159-W318 HydrophobicContact CD2-CZ3 3.73Å; Y159-W318 HydrophobicContact CE2-CB 4.28Å; Y159-W318 HydrophobicContact CE2-CD2 4.21Å; Y159-W318 HydrophobicContact CE2-CE3 4.23Å; Y159-W318 HydrophobicContact CE2-CG 4.31Å; Y159-W318 AromaticContact CG-CE3 3.91Å; Y159-W318 HydrophobicContact CG-CE3 3.91Å; Y159-W318 AromaticContact CG-CZ3 3.98Å; Y159-W318 HydrophobicContact CG-CZ3 3.98Å
160L98.8Very high98.5Very high42 Ų4225.9 Ų25.922%0.2213%0.134CC..Hα-helixtrans-66.1-29.7-175.1-65.2167.7000112.6I108 R109 A112 L156 L157I108-L160 HydrophobicContact CG2-CD1 4.05Å; R109-L160 HydrophobicContact CG-CD1 3.98Å; A112-L160 HydrophobicContact CB-CB 3.62Å; A112-L160 HydrophobicContact CB-CD1 3.71Å; A112-L160 HydrophobicContact CB-CG 4.26Å; L156-L160 HydrophobicContact CD1-CD1 3.99Å; L156-L160 HydrophobicContact CD1-CG 4.13Å; L156-L160 HydrophobicContact CG-CD1 3.91Å; L156-L160 HydrophobicContact CG-CG 4.46Å; L156-L160 VanDerWaalsContact O-CG 3.26Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 3.48Å; L157-L160 PolarHBondContact O-N 3.21Å
161L98.8Very high98.5Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-94.6-2.4-179.4-60.8-178.8000113.7L46 A112 F115 L116 L122 L157 T158 Y159 G163 L164 L165L46-L161 HydrophobicContact CD2-CD1 3.48Å; L46-L161 VanDerWaalsContact CD2-CD1 3.48Å; A112-L161 HydrophobicContact CB-CD2 4.24Å; F115-L161 HydrophobicContact CB-CD2 4.5Å; F115-L161 HydrophobicContact CD1-CD2 3.76Å; F115-L161 HydrophobicContact CE1-CD2 4.38Å; F115-L161 HydrophobicContact CG-CD2 4.36Å; L116-L161 HydrophobicContact CD2-CD2 4.08Å; L116-L161 HydrophobicContact CG-CD2 4.1Å; L122-L161 HydrophobicContact CD2-CB 4.23Å; L122-L161 HydrophobicContact CD2-CD1 4.01Å; L157-L161 HydrophobicContact CD1-CD1 3.76Å; L157-L161 HydrophobicContact CD1-CG 4.33Å; L157-L161 HydrophobicContact CG-CD1 4.08Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 WeakPolarHBondContact O-CG 3.31Å; L157-L161 PolarHBondContact O-N 2.89Å; L157-L161 VanDerWaalsContact O-N 3.12Å; T158-L161 PolarHBondContact O-N 2.9Å; Y159-L161 VanDerWaalsContact C-N 3.26Å; Y159-L161 PolarHBondContact O-N 2.88Å; L161-G163 VanDerWaalsContact C-N 3.32Å; L161-G163 PolarHBondContact O-N 3.46Å; L161-L164 PolarHBondContact O-N 3.08Å; L161-L164 VanDerWaalsContact O-N 3.07Å; L161-L165 PolarHBondContact O-N 2.91Å
162I98.4Very high98.5Very high19 Ų1927.8 Ų27.810%0.09714%0.142CC..Hα-helixtrans-63.1-38-170.5-158.860.8000112.9T158 Y159 L164 L165 K166 L217 L221 W318T158-I162 HydrophobicContact CG2-CD1 4.46Å; T158-I162 WeakPolarHBondContact O-CB 3.27Å; T158-I162 PolarHBondContact O-N 2.84Å; Y159-I162 WeakPolarHBondContact O-CB 3.44Å; Y159-I162 WeakPolarHBondContact O-CG2 3.33Å; Y159-I162 PolarHBondContact O-N 3.26Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 3.22Å; I162-L165 HydrophobicContact CD1-CD1 4.11Å; I162-L165 PolarHBondContact O-N 3.28Å; I162-K166 WeakPolarHBondContact O-CG 3.43Å; I162-K166 PolarHBondContact O-N 2.86Å; I162-L217 HydrophobicContact CD1-CD1 4.25Å; I162-L221 HydrophobicContact CD1-CD1 3.78Å; I162-L221 HydrophobicContact CD1-CD2 3.89Å; I162-L221 HydrophobicContact CD1-CG 4.39Å; I162-L221 HydrophobicContact CG1-CD2 4Å; I162-W318 HydrophobicContact CB-CZ2 4.29Å; I162-W318 HydrophobicContact CD1-CZ2 4.36Å; I162-W318 HydrophobicContact CG1-CZ2 4Å; I162-W318 HydrophobicContact CG2-CZ2 4.5Å
163G98.1Very high98.5Very high28 Ų2827.8 Ų27.829%0.28914%0.142SC..Hα-helixtrans-62.5-38177.200000112.2L161 R167L161-G163 VanDerWaalsContact C-N 3.32Å; L161-G163 PolarHBondContact O-N 3.46Å; G163-R167 WeakPolarHBondContact O-CG 3.34Å; G163-R167 PolarHBondContact O-N 3.42Å; G163-R167 VanDerWaalsContact O-N 3.09Å; G163-R167 PolarHBondContact O-NH1 3.41Å
164L98.7Very high98.5Very high3 Ų327.7 Ų27.72%0.01614%0.141CC..Hα-helixtrans-71.1-41.2177.4-175.564.8000111.7F115 L116 V119 N120 L122 L161 I162 K166 R167 S168F115-L164 HydrophobicContact CD1-CD2 4.05Å; F115-L164 HydrophobicContact CE1-CD2 3.7Å; L116-L164 HydrophobicContact CD2-CB 3.79Å; L116-L164 HydrophobicContact CD2-CD2 4.03Å; L116-L164 HydrophobicContact CD2-CG 4.43Å; V119-L164 HydrophobicContact CG1-CD2 4.44Å; N120-L164 VanDerWaalsContact O-CD1 3.27Å; N120-L164 WeakPolarHBondContact O-CD1 3.24Å; L122-L164 HydrophobicContact CB-CD2 3.68Å; L122-L164 HydrophobicContact CB-CG 3.91Å; L161-L164 PolarHBondContact O-N 3.08Å; L161-L164 VanDerWaalsContact O-N 3.07Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 3.22Å; L164-K166 PolarHBondContact O-N 3.45Å; L164-R167 PolarHBondContact O-N 2.86Å; L164-S168 VanDerWaalsContact O-CB 3.31Å; L164-S168 WeakPolarHBondContact O-CB 3.21Å; L164-S168 PolarHBondContact O-N 2.93Å; L164-S168 PolarHBondContact O-OG 3.03Å
165L98.7Very high98.5Very high0 Ų027.7 Ų27.70%014%0.141CC..Hα-helixtrans-57.7-47.8173.8-76.3161.9000111.1L122 L125 L161 I162 R167 S168 A169 A171 V173 V226L122-L165 HydrophobicContact CD2-CD2 4.04Å; L122-L165 HydrophobicContact CD2-CG 4.09Å; L122-L165 HydrophobicContact CG-CD2 3.87Å; L122-L165 HydrophobicContact CG-CG 4.35Å; L125-L165 HydrophobicContact CB-CD1 4.45Å; L125-L165 HydrophobicContact CB-CD2 4.24Å; L125-L165 HydrophobicContact CD2-CD1 4.12Å; L161-L165 PolarHBondContact O-N 2.91Å; I162-L165 HydrophobicContact CD1-CD1 4.11Å; I162-L165 PolarHBondContact O-N 3.28Å; L165-R167 PolarHBondContact O-N 3.4Å; L165-S168 CarbonylContact O-C 3.44Å; L165-S168 PolarHBondContact O-N 2.95Å; L165-S168 VanDerWaalsContact O-N 3.09Å; L165-A169 PolarHBondContact O-N 3.06Å; L165-A171 HydrophobicContact CD2-CB 4.1Å; L165-A171 WeakPolarHBondContact O-CB 3.46Å; L165-V173 HydrophobicContact CD1-CG2 3.79Å; L165-V173 HydrophobicContact CD2-CG2 4.37Å; L165-V226 HydrophobicContact CB-CG1 4.37Å
166K98.4Very high98.5Very high85 Ų8528 Ų2837%0.3714%0.142SC..Hα-helixtrans-59.5-44.6176.9-70.9176-179.8-179.30111.9I162 L164 S168 A169 L221 T224 V226I162-K166 WeakPolarHBondContact O-CG 3.43Å; I162-K166 PolarHBondContact O-N 2.86Å; L164-K166 PolarHBondContact O-N 3.45Å; K166-S168 PolarHBondContact O-N 2.84Å; K166-A169 WeakPolarHBondContact O-CB 3.24Å; K166-A169 PolarHBondContact O-N 2.73Å; K166-L221 VanDerWaalsContact CE-CD2 3.41Å; K166-T224 HydrophobicContact CD-CG2 4.36Å; K166-T224 HydrophobicContact CG-CG2 4.41Å; K166-V226 HydrophobicContact CG-CG2 4.25Å
167R98.2Very high98.4Very high170 Ų17028 Ų2864%0.64214%0.143SC*.Hα-helixtrans-67.8-20.7176.1-71.6-168.4-55.5-90.64.1114G163 L164 L165G163-R167 WeakPolarHBondContact O-CG 3.34Å; G163-R167 PolarHBondContact O-N 3.42Å; G163-R167 VanDerWaalsContact O-N 3.09Å; G163-R167 PolarHBondContact O-NH1 3.41Å; L164-R167 PolarHBondContact O-N 2.86Å; L165-R167 PolarHBondContact O-N 3.4Å
168S98.4Very high98Very high4 Ų429 Ų293%0.02815%0.149CC..THydrogen-bonded Turntrans-98.37.9-178.8-51.90000112.8H121 L122 H123 L164 L165 K166H121-S168 VanDerWaalsContact CA-OG 3.29Å; H121-S168 WeakPolarHBondContact CA-OG 3.35Å; L122-S168 PolarHBondContact N-OG 3.01Å; L122-S168 WeakPolarHBondContact O-CB 3.49Å; L122-S168 PolarHBondContact O-OG 3.03Å; H123-S168 PolarHBondContact CD2-O 2.88Å; L164-S168 VanDerWaalsContact O-CB 3.31Å; L164-S168 WeakPolarHBondContact O-CB 3.21Å; L164-S168 PolarHBondContact O-N 2.93Å; L164-S168 PolarHBondContact O-OG 3.03Å; L165-S168 CarbonylContact O-C 3.44Å; L165-S168 PolarHBondContact O-N 2.95Å; L165-S168 VanDerWaalsContact O-N 3.09Å; K166-S168 PolarHBondContact O-N 2.84Å
169A97.1Very high97.4Very high38 Ų3833 Ų3331%0.31417%0.171SC..  trans-57.8142.7-176.900000111.8L165 K166 T224 N225L165-A169 PolarHBondContact O-N 3.06Å; K166-A169 WeakPolarHBondContact O-CB 3.24Å; K166-A169 PolarHBondContact O-N 2.73Å; A169-T224 WeakPolarHBondContact CB-O 3.09Å; A169-N225 HydrophobicContact CB-CB 4.05Å
170P97.5Very high96.9Very high84 Ų8430.8 Ų30.855%0.54517%0.165SC..SBendcis-68.41301.627.7-33.8000112.5N225P170-N225 WeakPolarHBondContact CA-O 3.46Å
171A98.5Very high96.5Very high2 Ų228.8 Ų28.82%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-133.5161.2-178.500000111.3H123 L165 N225 V226 M227H123-A171 CarbonylContact O-C 3.56Å; H123-A171 WeakPolarHBondContact O-CA 3.4Å; H123-A171 WeakPolarHBondContact O-CB 3.19Å; L165-A171 HydrophobicContact CD2-CB 4.1Å; L165-A171 WeakPolarHBondContact O-CB 3.46Å; A171-N225 PolarHBondContact N-O 3.12Å; A171-V226 HydrophobicContact CB-CG1 4.34Å; A171-V226 HydrophobicContact CB-CG2 4.32Å; A171-V226 CarbonylContact O-C 3.54Å; A171-V226 WeakPolarHBondContact O-CA 3.47Å; A171-M227 PolarHBondContact O-N 2.81Å
172R98.8Very high96.1Very high40 Ų4030.2 Ų30.215%0.15116%0.162CC..EExtended strand (participates in β ladder)trans-133.9139.8-176.6-60.4-177.5-176.3-1623.6111.9H123 I124 L125 M227 C271 A272 A274H123-R172 PolarHBondContact O-N 3.17Å; I124-R172 CarbonylContact C-O 3.59Å; I124-R172 VanDerWaalsContact CA-O 3.3Å; I124-R172 WeakPolarHBondContact CA-O 3.24Å; L125-R172 PolarHBondContact N-O 3.47Å; R172-M227 CarbonylContact C-O 3.55Å; R172-M227 VanDerWaalsContact CA-O 3.25Å; R172-M227 WeakPolarHBondContact CA-O 3.33Å; R172-C271 WeakPolarHBondContact CD-O 3.25Å; R172-C271 PolarHBondContact NH1-O 3.42Å; R172-A272 VanDerWaalsContact CD-O 3.27Å; R172-A272 WeakPolarHBondContact CD-O 3.26Å; R172-A272 PolarHBondContact NH1-O 3.41Å; R172-A274 VanDerWaalsContact CZ-O 3.28Å; R172-A274 PolarHBondContact NH1-O 2.93Å; R172-A274 PolarHBondContact NH2-O 3.02Å
173V98.9Very high95.8Very high1 Ų136 Ų361%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-116.7120.8168.8-174.90000108.1L125 L165 V175 L217 V226 M227 V228 N229L125-V173 HydrophobicContact CB-CG1 4.49Å; L125-V173 HydrophobicContact CB-CG2 4.37Å; L125-V173 HydrophobicContact CD2-CG1 4.26Å; L125-V173 HydrophobicContact CG-CG1 4.4Å; L125-V173 CarbonylContact O-C 3.57Å; L125-V173 VanDerWaalsContact O-CA 3.32Å; L125-V173 WeakPolarHBondContact O-CA 3.49Å; L165-V173 HydrophobicContact CD1-CG2 3.79Å; L165-V173 HydrophobicContact CD2-CG2 4.37Å; V173-V175 HydrophobicContact CG1-CG2 4.13Å; V173-L217 HydrophobicContact CG1-CD2 4.39Å; V173-V226 HydrophobicContact CG2-CG1 4.2Å; V173-M227 PolarHBondContact N-O 2.87Å; V173-V228 HydrophobicContact CB-CB 4.41Å; V173-V228 HydrophobicContact CB-CG1 4.13Å; V173-V228 HydrophobicContact CB-CG2 4Å; V173-V228 HydrophobicContact CG1-CG1 4.4Å; V173-V228 HydrophobicContact CG2-CG2 4.22Å; V173-V228 WeakPolarHBondContact O-CA 3.14Å; V173-N229 PolarHBondContact O-N 3.32Å
174V98.9Very high95.5Very high1 Ų134.7 Ų34.71%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-109.9118.8177-1770000108.2L125 I126 N127 N229 V231 C271 A272L125-V174 PolarHBondContact O-N 3.42Å; I126-V174 WeakPolarHBondContact CA-O 2.97Å; I126-V174 HydrophobicContact CG1-CB 4.32Å; I126-V174 HydrophobicContact CG2-CB 4.31Å; I126-V174 HydrophobicContact CG2-CG1 4.49Å; N127-V174 PolarHBondContact N-O 2.87Å; V174-N229 WeakPolarHBondContact CA-O 3.29Å; V174-V231 HydrophobicContact CG1-CG1 3.78Å; V174-V231 HydrophobicContact CG1-CG2 4.18Å; V174-C271 HydrophobicContact CG1-CB 4.14Å; V174-C271 HydrophobicContact CG2-CB 3.91Å; V174-A272 HydrophobicContact CG2-CB 4.31Å
175V98.9Very high95.4Very high0 Ų043.1 Ų43.10%021%0.205CC..EExtended strand (participates in β ladder)trans-106.6113.7-178.5-1710000110.1N127 V173 S177 N210 F213 A214 N229 S230 V231N127-V175 HydrophobicContact CB-CG1 4.45Å; V173-V175 HydrophobicContact CG1-CG2 4.13Å; V175-S177 PolarHBondContact O-N 3.25Å; V175-N210 HydrophobicContact CG1-CB 3.75Å; V175-F213 HydrophobicContact CG1-CD1 4.22Å; V175-F213 HydrophobicContact CG2-CD1 4.02Å; V175-F213 HydrophobicContact CG2-CE1 4.07Å; V175-A214 HydrophobicContact CB-CB 4.2Å; V175-A214 HydrophobicContact CG2-CB 4.02Å; V175-N229 PolarHBondContact N-O 3.02Å; V175-S230 CarbonylContact O-C 3.47Å; V175-S230 WeakPolarHBondContact O-CA 3.41Å; V175-V231 PolarHBondContact O-N 3.41Å
176V98.3Very high95.3Very high7 Ų744.1 Ų44.14%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-80.4113.5-178.7-176.30000110.3I126 N127 N128 K207 N210 V231 P233I126-V176 HydrophobicContact CG2-CG2 4.39Å; N127-V176 WeakPolarHBondContact O-CB 3.33Å; N127-V176 PolarHBondContact O-N 3.39Å; N128-V176 HydrophobicContact CB-CG2 3.9Å; V176-K207 PolarHBondContact O-NZ 3.07Å; V176-N210 PolarHBondContact O-ND2 3.37Å; V176-V231 HydrophobicContact CB-CG2 4.37Å; V176-V231 HydrophobicContact CG1-CG2 4.44Å; V176-V231 HydrophobicContact CG2-CG2 3.95Å; V176-P233 HydrophobicContact CG1-CG 4.36Å
177S95.8Very high95.2Very high2 Ų243 Ų431%0.01420%0.204CC..  trans-105.7-151.5173.4-1740000110.2V175 K207 V211 V231V175-S177 PolarHBondContact O-N 3.25Å; S177-K207 PolarHBondContact OG-O 3.38Å; S177-V211 WeakPolarHBondContact OG-CG2 3.47Å; S177-V231 CarbonylContact C-O 3.49Å; S177-V231 WeakPolarHBondContact CA-O 3.5Å; S177-V231 PolarHBondContact N-O 3.42Å
178S90.3Very high95.1Very high19 Ų1937.8 Ų37.813%0.13319%0.186CC..  trans-159.4158.4-178.6178.40000110.3A180 H181 H232S178-A180 PolarHBondContact O-N 3.04Å; S178-A180 VanDerWaalsContact O-N 3.07Å; S178-A180 PolarHBondContact OG-N 2.96Å; S178-H181 WeakPolarHBondContact O-CB 3.39Å; S178-H181 PolarHBondContact O-N 2.82Å; S178-H181 PolarHBondContact O-ND1 3.17Å; S178-H232 VanDerWaalsContact CA-ND1 3.32Å; S178-H232 WeakPolarHBondContact CA-ND1 3.45Å
179L87.7Confident94.8Very high86 Ų8645.6 Ų45.645%0.4522%0.222SC..G310 helixtrans-52.8-27.5166.7-169.969.3000112.1H181 N182 H232L179-H181 PolarHBondContact O-N 3.49Å; L179-N182 WeakPolarHBondContact O-CB 3.41Å; L179-N182 PolarHBondContact O-N 2.74Å; L179-N182 VanDerWaalsContact O-N 3.07Å; L179-H232 WeakPolarHBondContact CB-NE2 3.36Å; L179-H232 PolarHBondContact N-CE1 2.9Å; L179-H232 PolarHBondContact N-ND1 3.25Å
180A87.3Confident94.6Very high15 Ų1545 Ų4512%0.12421%0.213CC..G310 helixtrans-51.8-26.7173.700000113.6S178 N182 F183 G184 Y203 C204S178-A180 PolarHBondContact O-N 3.04Å; S178-A180 VanDerWaalsContact O-N 3.07Å; S178-A180 PolarHBondContact OG-N 2.96Å; A180-N182 PolarHBondContact O-N 3.36Å; A180-F183 PolarHBondContact O-N 3.44Å; A180-G184 PolarHBondContact O-N 2.9Å; A180-Y203 HydrophobicContact CB-CD1 3.95Å; A180-Y203 HydrophobicContact CB-CE1 3.8Å; A180-C204 WeakPolarHBondContact O-CB 3.43Å; A180-C204 PolarHBondContact O-SG 3.42Å
181H91.4Very high94.4Very high1 Ų141.5 Ų41.51%0.00519%0.19CC..G310 helixtrans-58.6-30.517884.4-91.3000113.1S178 L179 F183 G184 K207 L208 V211 H284S178-H181 WeakPolarHBondContact O-CB 3.39Å; S178-H181 PolarHBondContact O-N 2.82Å; S178-H181 PolarHBondContact O-ND1 3.17Å; L179-H181 PolarHBondContact O-N 3.49Å; H181-F183 PolarHBondContact O-N 3.22Å; H181-G184 PolarHBondContact O-N 3.31Å; H181-K207 HydrophobicContact CB-CB 4.3Å; H181-L208 HydrophobicContact CB-CB 4.38Å; H181-V211 HydrophobicContact CB-CG2 4.08Å; H181-H284 AromaticContact CE1-CD2 3.83Å; H181-H284 AromaticContact CE1-CE1 3.97Å; H181-H284 AromaticContact CE1-NE2 3.35Å; H181-H284 PolarHBondContact CE1-NE2 2.69Å; H181-H284 VanDerWaalsContact CE1-NE2 3.35Å; H181-H284 AromaticContact ND1-NE2 3.9Å
182N90.4Very high94.2Very high30 Ų3043 Ų4316%0.1620%0.197CC..G310 helixtrans-67.1-19.4179-72.2-49.7000113.1L179 A180 A294 Q296L179-N182 WeakPolarHBondContact O-CB 3.41Å; L179-N182 PolarHBondContact O-N 2.74Å; L179-N182 VanDerWaalsContact O-N 3.07Å; A180-N182 PolarHBondContact O-N 3.36Å; N182-A294 HydrophobicContact CB-CB 4.2Å; N182-A294 VanDerWaalsContact OD1-CB 3.32Å; N182-A294 WeakPolarHBondContact OD1-CB 3.49Å; N182-A294 PolarHBondContact OD1-N 2.89Å; N182-Q296 PolarHBondContact O-NE2 2.91Å
183F91.4Very high93.8Very high140 Ų14041.3 Ų41.361%0.61419%0.191SC*.G310 helixtrans-106.41.1179.6-53.5-78.3000112.5A180 H181A180-F183 PolarHBondContact O-N 3.44Å; H181-F183 PolarHBondContact O-N 3.22Å
184G92.6Very high93.2Very high1 Ų147.1 Ų47.11%0.0122%0.218CC..  trans-86.1159.2179.700000112.9A180 H181 L208 Q296A180-G184 PolarHBondContact O-N 2.9Å; H181-G184 PolarHBondContact O-N 3.31Å; G184-L208 WeakPolarHBondContact O-CD2 3.03Å; G184-Q296 WeakPolarHBondContact O-CG 3.35Å; G184-Q296 PolarHBondContact O-NE2 3.45Å
185W95.7Very high92.5Very high180 Ų18050.5 Ų50.568%0.68225%0.253SS*.  trans-140.3139168.5-69.984.7000108.7R187 Q205 Q296W185-R187 PolarHBondContact O-N 3.18Å; W185-Q205 WeakPolarHBondContact O-CG 3.35Å; W185-Q205 PolarHBondContact O-OE1 2.81Å; W185-Q296 HydrophobicContact CZ3-CB 4.49Å
186I97.6Very high91.9Very high20 Ų2054.8 Ų54.810%0.10328%0.282CS..  trans-81.5106.8173.8-54.8-55.2000108.6F188 L191 Q205 L208 A209 L212 T302 L306I186-F188 HydrophobicContact CB-CE2 4.12Å; I186-F188 HydrophobicContact CB-CZ 4.22Å; I186-F188 HydrophobicContact CG2-CD1 4.01Å; I186-F188 HydrophobicContact CG2-CD2 4.08Å; I186-F188 HydrophobicContact CG2-CE1 3.66Å; I186-F188 HydrophobicContact CG2-CE2 3.74Å; I186-F188 HydrophobicContact CG2-CG 4.22Å; I186-F188 HydrophobicContact CG2-CZ 3.51Å; I186-F188 PolarHBondContact O-N 2.79Å; I186-L191 HydrophobicContact CG2-CD1 4.05Å; I186-Q205 HydrophobicContact CD1-CG 4.08Å; I186-L208 HydrophobicContact CD1-CB 4.32Å; I186-L208 HydrophobicContact CD1-CD2 4.01Å; I186-L208 HydrophobicContact CD1-CG 4.03Å; I186-L208 HydrophobicContact CG1-CD2 3.97Å; I186-L208 HydrophobicContact CG1-CG 4.3Å; I186-A209 HydrophobicContact CD1-CB 4.09Å; I186-L212 HydrophobicContact CD1-CD1 4.09Å; I186-L212 HydrophobicContact CG1-CD1 3.61Å; I186-T302 HydrophobicContact CB-CG2 4.14Å; I186-T302 HydrophobicContact CG1-CG2 3.94Å; I186-L306 HydrophobicContact CD1-CD2 4.1Å; I186-L306 HydrophobicContact CG1-CD2 4.35Å; I186-L306 HydrophobicContact CG2-CD1 4.09Å
187R95.4Very high91.7Very high62 Ų6257.3 Ų57.323%0.23429%0.292CS..  trans-90.982.8-179.7-55.2-175.9-41.7165.929.1109.9W185 H189 D190 L191 S193W185-R187 PolarHBondContact O-N 3.18Å; R187-H189 PolarHBondContact O-N 3.49Å; R187-H189 VanDerWaalsContact O-N 3.14Å; R187-D190 IonicContact CZ-OD2 2.74Å; R187-D190 PolarHBondContact NH2-O 3.18Å; R187-D190 IonicContact NH2-OD1 3.62Å; R187-D190 IonicContact NH2-OD2 3.43Å; R187-D190 PolarHBondContact NH2-OD2 3.19Å; R187-D190 CarbonylContact O-C 3.52Å; R187-D190 PolarHBondContact O-N 3.31Å; R187-L191 WeakPolarHBondContact O-CA 3.34Å; R187-L191 PolarHBondContact O-N 3.27Å; R187-S193 PolarHBondContact NH2-OG 3.29Å
188F95.9Very high91.5Very high60 Ų6061.2 Ų61.226%0.26331%0.312SS..G310 helixtrans-56.9-30.5-177.7-68.3-74.7000114.6I186 D190 T302 K305 L306 V309I186-F188 HydrophobicContact CB-CE2 4.12Å; I186-F188 HydrophobicContact CB-CZ 4.22Å; I186-F188 HydrophobicContact CG2-CD1 4.01Å; I186-F188 HydrophobicContact CG2-CD2 4.08Å; I186-F188 HydrophobicContact CG2-CE1 3.66Å; I186-F188 HydrophobicContact CG2-CE2 3.74Å; I186-F188 HydrophobicContact CG2-CG 4.22Å; I186-F188 HydrophobicContact CG2-CZ 3.51Å; I186-F188 PolarHBondContact O-N 2.79Å; F188-D190 VanDerWaalsContact C-N 3.31Å; F188-T302 HydrophobicContact CE2-CG2 4.07Å; F188-T302 HydrophobicContact CZ-CG2 4.07Å; F188-K305 HydrophobicContact CD1-CD 4.09Å; F188-K305 HydrophobicContact CD1-CG 4.07Å; F188-K305 HydrophobicContact CD2-CD 4.02Å; F188-K305 HydrophobicContact CE1-CB 4.04Å; F188-K305 HydrophobicContact CE1-CD 3.91Å; F188-K305 HydrophobicContact CE1-CG 3.59Å; F188-K305 HydrophobicContact CE2-CD 3.83Å; F188-K305 HydrophobicContact CE2-CG 4.31Å; F188-K305 HydrophobicContact CG-CD 4.14Å; F188-K305 HydrophobicContact CZ-CB 3.8Å; F188-K305 HydrophobicContact CZ-CD 3.77Å; F188-K305 HydrophobicContact CZ-CG 3.73Å; F188-L306 HydrophobicContact CE1-CB 4.19Å; F188-L306 HydrophobicContact CZ-CB 4.26Å; F188-V309 HydrophobicContact CD1-CG2 4.19Å; F188-V309 HydrophobicContact CE1-CG2 4.4Å
189H93Very high91.6Very high169 Ų16961.7 Ų61.778%0.78232%0.316SS*.G310 helixtrans-75.9-17.5177.862.7-91.5000113.7R187R187-H189 PolarHBondContact O-N 3.49Å; R187-H189 VanDerWaalsContact O-N 3.14Å
190D92.8Very high91.7Very high25 Ų2558.3 Ų58.313%0.13430%0.302CS..G310 helixtrans-151.960.2-179-175.221.1000110R187 F188 H192 S193 Q194 G195R187-D190 IonicContact CZ-OD2 2.74Å; R187-D190 PolarHBondContact NH2-O 3.18Å; R187-D190 IonicContact NH2-OD1 3.62Å; R187-D190 IonicContact NH2-OD2 3.43Å; R187-D190 PolarHBondContact NH2-OD2 3.19Å; R187-D190 CarbonylContact O-C 3.52Å; R187-D190 PolarHBondContact O-N 3.31Å; F188-D190 VanDerWaalsContact C-N 3.31Å; D190-H192 PolarHBondContact O-N 2.93Å; D190-S193 PolarHBondContact O-N 2.74Å; D190-S193 WeakPolarHBondContact OD1-CA 3.34Å; D190-S193 PolarHBondContact OD1-N 3Å; D190-S193 WeakPolarHBondContact OD2-CA 3.39Å; D190-Q194 PolarHBondContact OD1-N 3.25Å; D190-Q194 PolarHBondContact OD2-N 2.9Å; D190-G195 PolarHBondContact OD2-N 2.97Å; D190-G195 VanDerWaalsContact OD2-N 3.15Å
191L93.6Very high91.9Very high10 Ų1062.4 Ų62.45%0.05232%0.321CS..THydrogen-bonded Turntrans-63.8-30.4-176.8-165.269.6000111.1I147 I186 R187 Q205 V309 L313I147-L191 HydrophobicContact CG1-CD2 4.49Å; I147-L191 HydrophobicContact CG1-CG 4.29Å; I186-L191 HydrophobicContact CG2-CD1 4.05Å; R187-L191 WeakPolarHBondContact O-CA 3.34Å; R187-L191 PolarHBondContact O-N 3.27Å; L191-Q205 PolarHBondContact O-NE2 2.97Å; L191-V309 HydrophobicContact CD2-CG1 4.05Å; L191-L313 HydrophobicContact CD2-CD1 3.74Å
192H93.5Very high92.1Very high35 Ų3562.5 Ų62.516%0.16232%0.322CS..THydrogen-bonded Turntrans-90.87.5-179.6-57.2-53.3000114.6Y136 F143 E144 D190 Q194Y136-H192 WeakPolarHBondContact CE2-O 3.43Å; F143-H192 AromaticContact CD1-CE1 3.45Å; F143-H192 VanDerWaalsContact CD1-CE1 3.45Å; F143-H192 WeakPolarHBondContact CD1-CE1 3.36Å; E144-H192 HydrophobicContact CB-CB 4.23Å; E144-H192 WeakPolarHBondContact CB-O 3.34Å; D190-H192 PolarHBondContact O-N 2.93Å; H192-Q194 VanDerWaalsContact C-N 3.26Å; H192-Q194 HydrophobicContact CB-CG 4.08Å; H192-Q194 PolarHBondContact O-N 3.04Å
193S89.9Confident92.3Very high4 Ų461.9 Ų61.93%0.02832%0.317CS..  trans52.739.9174.6-52.40000115.1R187 D190R187-S193 PolarHBondContact NH2-OG 3.29Å; D190-S193 PolarHBondContact O-N 2.74Å; D190-S193 WeakPolarHBondContact OD1-CA 3.34Å; D190-S193 PolarHBondContact OD1-N 3Å; D190-S193 WeakPolarHBondContact OD2-CA 3.39Å
194Q86.5Confident92.5Very high123 Ų12356 Ų5658%0.57529%0.293SS*.  trans-78-28.3-178.6-66.8-176.6-9.100112.7Y136 D190 H192Y136-Q194 WeakPolarHBondContact OH-CG 3.43Å; D190-Q194 PolarHBondContact OD1-N 3.25Å; D190-Q194 PolarHBondContact OD2-N 2.9Å; H192-Q194 VanDerWaalsContact C-N 3.26Å; H192-Q194 HydrophobicContact CB-CG 4.08Å; H192-Q194 PolarHBondContact O-N 3.04Å
195G84.6Confident92.7Very high72 Ų7256 Ų5674%0.74229%0.294SS*.SBendtrans-76.7-49.7-177.900000113.1D190D190-G195 PolarHBondContact OD2-N 2.97Å; D190-G195 VanDerWaalsContact OD2-N 3.15Å
196S86.1Confident92.8Very high89 Ų8947.5 Ų47.562%0.62226%0.261SS*.SBendtrans-149.8116.2176.61790000109.6
197Y93Very high92.8Very high61 Ų6146.8 Ų46.824%0.23926%0.257CS..  trans-91.2123.2-176.9-170.7-111.7000112C134 Y136 E144 H146 A202C134-Y197 WeakPolarHBondContact O-CE1 3.36Å; C134-Y197 PolarHBondContact O-OH 3.23Å; Y136-Y197 HydrophobicContact CD2-CD1 4.3Å; Y136-Y197 AromaticContact CD2-CD2 3.43Å; Y136-Y197 HydrophobicContact CD2-CD2 3.43Å; Y136-Y197 VanDerWaalsContact CD2-CD2 3.43Å; Y136-Y197 AromaticContact CD2-CE2 3.75Å; Y136-Y197 HydrophobicContact CD2-CE2 3.75Å; Y136-Y197 AromaticContact CD2-CG 3.7Å; Y136-Y197 HydrophobicContact CD2-CG 3.7Å; Y136-Y197 HydrophobicContact CE2-CD2 4.2Å; Y136-Y197 HydrophobicContact CG-CD1 4.44Å; Y136-Y197 HydrophobicContact CG-CD2 4.32Å; Y136-Y197 HydrophobicContact CG-CG 4.16Å; Y136-Y197 VanDerWaalsContact N-CE1 3.29Å; E144-Y197 HydrophobicContact CG-CE2 3.9Å; E144-Y197 WeakPolarHBondContact OE1-CE2 3.44Å; E144-Y197 PolarHBondContact OE1-OH 3.44Å; H146-Y197 PolarHBondContact CE1-OH 2.96Å; H146-Y197 PolarHBondContact ND1-OH 3.01Å; H146-Y197 VanDerWaalsContact ND1-OH 3.12Å; Y197-A202 HydrophobicContact CE2-CB 3.73Å
198N93.4Very high93Very high83 Ų8343.9 Ų43.944%0.44425%0.247SC..  trans-126.8115.5164.5-178.8-69.6000108.1G200 L201 A202N198-G200 PolarHBondContact O-N 3.14Å; N198-G200 WeakPolarHBondContact OD1-CA 3.33Å; N198-G200 PolarHBondContact OD1-N 3.17Å; N198-L201 HydrophobicContact CB-CB 4.12Å; N198-L201 HydrophobicContact CB-CD1 4.03Å; N198-L201 HydrophobicContact CB-CG 4.09Å; N198-L201 PolarHBondContact O-N 3.47Å; N198-L201 PolarHBondContact OD1-N 3.35Å; N198-A202 WeakPolarHBondContact O-CB 3.41Å; N198-A202 PolarHBondContact O-N 3.32Å
199S91.9Very high93.1Very high29 Ų2941 Ų4120%0.20323%0.234CC..Hα-helixtrans-61.1-31.4-17465.30000112.9M133 C134 Y203M133-S199 VanDerWaalsContact CE-OG 3.27Å; M133-S199 WeakPolarHBondContact CE-OG 3.12Å; M133-S199 VanDerWaalsContact SD-C 3.58Å; M133-S199 PolarHBondContact SD-OG 2.79Å; M133-S199 VanDerWaalsContact SD-OG 3.34Å; C134-S199 WeakPolarHBondContact O-CB 3.03Å; S199-Y203 WeakPolarHBondContact O-CB 3.45Å; S199-Y203 PolarHBondContact O-N 2.9Å
200G88.8Confident93.4Very high16 Ų1633 Ų3317%0.16520%0.197CC..Hα-helixtrans-70.8-48.4176.600000112M133 N198 A202 Y203 C204M133-G200 WeakPolarHBondContact SD-CA 3.23Å; M133-G200 PolarHBondContact SD-N 2.9Å; N198-G200 PolarHBondContact O-N 3.14Å; N198-G200 WeakPolarHBondContact OD1-CA 3.33Å; N198-G200 PolarHBondContact OD1-N 3.17Å; G200-A202 PolarHBondContact O-N 3.42Å; G200-Y203 PolarHBondContact O-N 2.98Å; G200-C204 PolarHBondContact O-N 3.31Å; G200-C204 PolarHBondContact O-SG 3.32Å
201L93.2Very high93.6Very high101 Ų10131.9 Ų31.953%0.52919%0.191SC..Hα-helixtrans-65.2-39177.2-63.1179.8000111.9N198 Y203 C204 Q205N198-L201 HydrophobicContact CB-CB 4.12Å; N198-L201 HydrophobicContact CB-CD1 4.03Å; N198-L201 HydrophobicContact CB-CG 4.09Å; N198-L201 PolarHBondContact O-N 3.47Å; N198-L201 PolarHBondContact OD1-N 3.35Å; L201-Y203 VanDerWaalsContact C-N 3.35Å; L201-C204 PolarHBondContact O-N 2.75Å; L201-Q205 WeakPolarHBondContact O-CB 3.1Å; L201-Q205 PolarHBondContact O-N 3.43Å
202A95.4Very high93.9Very high2 Ų231.5 Ų31.52%0.01719%0.189CC..Hα-helixtrans-61.5-43.3174.300000111.4Y197 N198 G200 Q205 S206Y197-A202 HydrophobicContact CE2-CB 3.73Å; N198-A202 WeakPolarHBondContact O-CB 3.41Å; N198-A202 PolarHBondContact O-N 3.32Å; G200-A202 PolarHBondContact O-N 3.42Å; A202-Q205 PolarHBondContact O-N 3.4Å; A202-S206 PolarHBondContact O-N 3.28Å
203Y94.4Very high94.1Very high17 Ų1730 Ų307%0.06718%0.182CC..Hα-helixtrans-62.5-47.8173.2-179.8-113.6000112.3V131 M132 H146 A180 S199 G200 L201 Q205 S206 K207V131-Y203 WeakPolarHBondContact O-CD2 3.43Å; V131-Y203 WeakPolarHBondContact O-CE2 3.42Å; M132-Y203 HydrophobicContact CB-CD2 3.82Å; M132-Y203 HydrophobicContact CB-CE1 4.5Å; M132-Y203 HydrophobicContact CB-CE2 3.66Å; M132-Y203 HydrophobicContact CB-CG 4.3Å; M132-Y203 HydrophobicContact CG-CD1 3.79Å; M132-Y203 HydrophobicContact CG-CD2 3.85Å; M132-Y203 HydrophobicContact CG-CE1 3.79Å; M132-Y203 HydrophobicContact CG-CE2 3.84Å; M132-Y203 HydrophobicContact CG-CG 3.81Å; M132-Y203 HydrophobicContact SD-CD1 4.09Å; M132-Y203 HydrophobicContact SD-CE1 3.59Å; M132-Y203 VanDerWaalsContact SD-CE1 3.59Å; M132-Y203 HydrophobicContact SD-CE2 4.38Å; H146-Y203 AromaticContact CD2-CD2 3.93Å; A180-Y203 HydrophobicContact CB-CD1 3.95Å; A180-Y203 HydrophobicContact CB-CE1 3.8Å; S199-Y203 WeakPolarHBondContact O-CB 3.45Å; S199-Y203 PolarHBondContact O-N 2.9Å; G200-Y203 PolarHBondContact O-N 2.98Å; L201-Y203 VanDerWaalsContact C-N 3.35Å; Y203-Q205 VanDerWaalsContact C-N 3.31Å; Y203-Q205 PolarHBondContact O-N 2.7Å; Y203-S206 PolarHBondContact O-N 3.38Å; Y203-S206 VanDerWaalsContact O-N 3.12Å; Y203-S206 PolarHBondContact O-OG 3.26Å; Y203-K207 HydrophobicContact CD2-CG 4.2Å; Y203-K207 HydrophobicContact CE1-CG 4.1Å; Y203-K207 HydrophobicContact CE2-CD 4.09Å; Y203-K207 HydrophobicContact CE2-CG 3.74Å; Y203-K207 PolarHBondContact O-N 2.92Å; Y203-K207 WeakPolarHBondContact OH-CE 3.36Å
204C94.9Very high94.6Very high16 Ų1629.8 Ų29.811%0.10818%0.181CC..Hα-helixtrans-57.1-43.4176.1-67.20000111.8A180 G200 L201 K207 L208A180-C204 WeakPolarHBondContact O-CB 3.43Å; A180-C204 PolarHBondContact O-SG 3.42Å; G200-C204 PolarHBondContact O-N 3.31Å; G200-C204 PolarHBondContact O-SG 3.32Å; L201-C204 PolarHBondContact O-N 2.75Å; C204-K207 PolarHBondContact O-N 3.34Å; C204-L208 WeakPolarHBondContact O-CB 3.44Å; C204-L208 PolarHBondContact O-N 3.15Å
205Q97.5Very high95.1Very high3 Ų327.5 Ų27.51%0.01417%0.166CC..Hα-helixtrans-58.4-48.2174178.4178.6-96.200111.1W185 I186 L191 L201 A202 Y203 K207 L208 A209W185-Q205 WeakPolarHBondContact O-CG 3.35Å; W185-Q205 PolarHBondContact O-OE1 2.81Å; I186-Q205 HydrophobicContact CD1-CG 4.08Å; L191-Q205 PolarHBondContact O-NE2 2.97Å; L201-Q205 WeakPolarHBondContact O-CB 3.1Å; L201-Q205 PolarHBondContact O-N 3.43Å; A202-Q205 PolarHBondContact O-N 3.4Å; Y203-Q205 VanDerWaalsContact C-N 3.31Å; Y203-Q205 PolarHBondContact O-N 2.7Å; Q205-K207 VanDerWaalsContact C-N 3.29Å; Q205-K207 PolarHBondContact O-N 3.3Å; Q205-L208 PolarHBondContact O-N 2.95Å; Q205-A209 WeakPolarHBondContact O-CB 3.42Å; Q205-A209 PolarHBondContact O-N 3.42Å
206S98Very high95.8Very high0 Ų024.3 Ų24.30%013%0.132CC..Hα-helixtrans-62.4-35.4179.780.40000112.8N150 A202 Y203 A209 N210N150-S206 PolarHBondContact ND2-OG 3.45Å; A202-S206 PolarHBondContact O-N 3.28Å; Y203-S206 PolarHBondContact O-N 3.38Å; Y203-S206 VanDerWaalsContact O-N 3.12Å; Y203-S206 PolarHBondContact O-OG 3.26Å; S206-A209 WeakPolarHBondContact O-CB 3.49Å; S206-A209 PolarHBondContact O-N 3.44Å; S206-N210 PolarHBondContact O-N 2.89Å; S206-N210 PolarHBondContact O-OD1 3.06Å
207K97.5Very high96.4Very high6 Ų620.1 Ų20.13%0.02610%0.103CC..Hα-helixtrans-79.5-29.8179.2-64.6-64.3176.8-1760112.3V176 S177 H181 Y203 C204 Q205 N210 V211V176-K207 PolarHBondContact O-NZ 3.07Å; S177-K207 PolarHBondContact OG-O 3.38Å; H181-K207 HydrophobicContact CB-CB 4.3Å; Y203-K207 HydrophobicContact CD2-CG 4.2Å; Y203-K207 HydrophobicContact CE1-CG 4.1Å; Y203-K207 HydrophobicContact CE2-CD 4.09Å; Y203-K207 HydrophobicContact CE2-CG 3.74Å; Y203-K207 PolarHBondContact O-N 2.92Å; Y203-K207 WeakPolarHBondContact OH-CE 3.36Å; C204-K207 PolarHBondContact O-N 3.34Å; Q205-K207 VanDerWaalsContact C-N 3.29Å; Q205-K207 PolarHBondContact O-N 3.3Å; K207-N210 PolarHBondContact O-N 3.46Å; K207-V211 PolarHBondContact O-N 3.03Å
208L98.3Very high96.7Very high1 Ų117.8 Ų17.81%0.00510%0.096CC..Hα-helixtrans-63.6-43.8165.9177.461.7000111.5H181 G184 I186 C204 Q205 N210 V211 L212 Q296 G297H181-L208 HydrophobicContact CB-CB 4.38Å; G184-L208 WeakPolarHBondContact O-CD2 3.03Å; I186-L208 HydrophobicContact CD1-CB 4.32Å; I186-L208 HydrophobicContact CD1-CD2 4.01Å; I186-L208 HydrophobicContact CD1-CG 4.03Å; I186-L208 HydrophobicContact CG1-CD2 3.97Å; I186-L208 HydrophobicContact CG1-CG 4.3Å; C204-L208 WeakPolarHBondContact O-CB 3.44Å; C204-L208 PolarHBondContact O-N 3.15Å; Q205-L208 PolarHBondContact O-N 2.95Å; L208-N210 VanDerWaalsContact C-N 3.27Å; L208-N210 PolarHBondContact O-N 3.47Å; L208-V211 PolarHBondContact O-N 2.87Å; L208-L212 HydrophobicContact CD1-CD1 4.24Å; L208-L212 HydrophobicContact CD1-CG 4.28Å; L208-L212 HydrophobicContact CG-CD1 3.96Å; L208-L212 HydrophobicContact CG-CG 4.45Å; L208-L212 PolarHBondContact O-N 3.44Å; L208-Q296 HydrophobicContact CD1-CG 4.09Å; L208-Q296 HydrophobicContact CD2-CB 4.46Å; L208-Q296 HydrophobicContact CD2-CG 3.79Å; L208-G297 VanDerWaalsContact CD1-CA 3.48Å
209A98.7Very high96.9Very high0 Ų020.3 Ų20.30%010%0.099CC..Hα-helixtrans-55.9-42.3176.100000111.7I147 H151 I186 Q205 S206 V211 L212 F213 L306I147-A209 HydrophobicContact CD1-CB 3.79Å; H151-A209 HydrophobicContact CB-CB 3.93Å; I186-A209 HydrophobicContact CD1-CB 4.09Å; Q205-A209 WeakPolarHBondContact O-CB 3.42Å; Q205-A209 PolarHBondContact O-N 3.42Å; S206-A209 WeakPolarHBondContact O-CB 3.49Å; S206-A209 PolarHBondContact O-N 3.44Å; A209-V211 PolarHBondContact O-N 2.9Å; A209-L212 PolarHBondContact O-N 2.95Å; A209-F213 VanDerWaalsContact O-CB 3.24Å; A209-F213 WeakPolarHBondContact O-CB 3.32Å; A209-F213 PolarHBondContact O-N 3.09Å; A209-L306 HydrophobicContact CB-CD2 3.74Å
210N98.8Very high97.1Very high1 Ų122.3 Ų22.31%0.00510%0.103CC..Hα-helixtrans-60.7-38.1175-75.79.5000114.1N150 V175 V176 S206 K207 L208 A214N150-N210 PolarHBondContact O-ND2 3.44Å; N150-N210 PolarHBondContact O-OD1 2.7Å; V175-N210 HydrophobicContact CG1-CB 3.75Å; V176-N210 PolarHBondContact O-ND2 3.37Å; S206-N210 PolarHBondContact O-N 2.89Å; S206-N210 PolarHBondContact O-OD1 3.06Å; K207-N210 PolarHBondContact O-N 3.46Å; L208-N210 VanDerWaalsContact C-N 3.27Å; L208-N210 PolarHBondContact O-N 3.47Å; N210-A214 WeakPolarHBondContact O-CB 3.19Å; N210-A214 PolarHBondContact O-N 2.91Å; N210-A214 VanDerWaalsContact O-N 3.08Å
211V98.6Very high97.6Very high1 Ų121.7 Ų21.71%0.00610%0.096CC..Hα-helixtrans-69.4-45.4177.1176.10000110.5S177 H181 K207 L208 A209 F213 A214 R215 V293S177-V211 WeakPolarHBondContact OG-CG2 3.47Å; H181-V211 HydrophobicContact CB-CG2 4.08Å; K207-V211 PolarHBondContact O-N 3.03Å; L208-V211 PolarHBondContact O-N 2.87Å; A209-V211 PolarHBondContact O-N 2.9Å; V211-F213 VanDerWaalsContact C-N 3.35Å; V211-A214 PolarHBondContact O-N 2.81Å; V211-R215 WeakPolarHBondContact O-CG 3.38Å; V211-R215 PolarHBondContact O-N 2.76Å; V211-R215 VanDerWaalsContact O-N 3.15Å; V211-V293 HydrophobicContact CG1-CG1 3.9Å; V211-V293 HydrophobicContact CG1-CG2 4.47Å
212L98.8Very high97.7Very high2 Ų225.9 Ų25.91%0.0111%0.11CC..Hα-helixtrans-62.7-42.8177.3-68.7169.4000111.4I186 L208 A209 R215 E216 T302 A303 L306I186-L212 HydrophobicContact CD1-CD1 4.09Å; I186-L212 HydrophobicContact CG1-CD1 3.61Å; L208-L212 HydrophobicContact CD1-CD1 4.24Å; L208-L212 HydrophobicContact CD1-CG 4.28Å; L208-L212 HydrophobicContact CG-CD1 3.96Å; L208-L212 HydrophobicContact CG-CG 4.45Å; L208-L212 PolarHBondContact O-N 3.44Å; A209-L212 PolarHBondContact O-N 2.95Å; L212-R215 PolarHBondContact O-N 3.32Å; L212-E216 WeakPolarHBondContact O-CB 3.25Å; L212-E216 PolarHBondContact O-N 3.36Å; L212-T302 HydrophobicContact CD1-CG2 3.76Å; L212-A303 HydrophobicContact CB-CB 4.13Å; L212-A303 HydrophobicContact CD2-CB 3.88Å; L212-L306 HydrophobicContact CB-CD2 4.08Å; L212-L306 HydrophobicContact CD1-CD2 3.99Å
213F98.8Very high97.8Very high3 Ų329.8 Ų29.81%0.01315%0.15CC..Hα-helixtrans-57.3-50.2174.7172.8-117.7000112.2F155 T158 V175 A209 V211 R215 E216 L217 W307F155-F213 AromaticContact CD2-CD2 3.4Å; F155-F213 HydrophobicContact CD2-CD2 3.4Å; F155-F213 AromaticContact CD2-CE2 3.4Å; F155-F213 HydrophobicContact CD2-CE2 3.4Å; F155-F213 HydrophobicContact CD2-CG 4.4Å; F155-F213 HydrophobicContact CD2-CZ 4.4Å; F155-F213 AromaticContact CE2-CD2 3.76Å; F155-F213 HydrophobicContact CE2-CD2 3.76Å; F155-F213 AromaticContact CE2-CE2 3.79Å; F155-F213 HydrophobicContact CE2-CE2 3.79Å; F155-F213 HydrophobicContact CG-CD2 4.45Å; F155-F213 HydrophobicContact CG-CE2 4.13Å; T158-F213 HydrophobicContact CG2-CZ 3.95Å; V175-F213 HydrophobicContact CG1-CD1 4.22Å; V175-F213 HydrophobicContact CG2-CD1 4.02Å; V175-F213 HydrophobicContact CG2-CE1 4.07Å; A209-F213 VanDerWaalsContact O-CB 3.24Å; A209-F213 WeakPolarHBondContact O-CB 3.32Å; A209-F213 PolarHBondContact O-N 3.09Å; V211-F213 VanDerWaalsContact C-N 3.35Å; F213-R215 VanDerWaalsContact C-N 3.28Å; F213-R215 PolarHBondContact O-N 3.28Å; F213-E216 PolarHBondContact O-N 3.32Å; F213-L217 HydrophobicContact CE1-CD2 4.24Å; F213-L217 HydrophobicContact CE2-CB 4.3Å; F213-L217 HydrophobicContact CE2-CD2 4.35Å; F213-L217 HydrophobicContact CZ-CD2 3.81Å; F213-L217 VanDerWaalsContact O-CB 3.24Å; F213-L217 WeakPolarHBondContact O-CB 3.3Å; F213-L217 PolarHBondContact O-N 2.76Å; F213-W307 HydrophobicContact CD2-CE3 4.15Å; F213-W307 HydrophobicContact CD2-CH2 4.48Å; F213-W307 AromaticContact CD2-CZ3 3.63Å; F213-W307 HydrophobicContact CD2-CZ3 3.63Å; F213-W307 HydrophobicContact CE2-CH2 4.11Å; F213-W307 AromaticContact CE2-CZ3 3.7Å; F213-W307 HydrophobicContact CE2-CZ3 3.7Å
214A98.7Very high97.9Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-61.1-38.4179.900000112.2V175 N210 V211 A218 V228V175-A214 HydrophobicContact CB-CB 4.2Å; V175-A214 HydrophobicContact CG2-CB 4.02Å; N210-A214 WeakPolarHBondContact O-CB 3.19Å; N210-A214 PolarHBondContact O-N 2.91Å; N210-A214 VanDerWaalsContact O-N 3.08Å; V211-A214 PolarHBondContact O-N 2.81Å; A214-A218 VanDerWaalsContact O-CB 3.25Å; A214-A218 WeakPolarHBondContact O-CB 3.2Å; A214-A218 PolarHBondContact O-N 3.48Å; A214-V228 HydrophobicContact CB-CG1 4.08Å; A214-V228 WeakPolarHBondContact O-CG1 3.43Å
215R98.4Very high98Very high74 Ų7433.8 Ų33.828%0.27917%0.173SC..Hα-helixtrans-67.3-46.7177.2-70.9176.563.273.2-2112.1V211 L212 F213 A218 R219 G282 G297V211-R215 WeakPolarHBondContact O-CG 3.38Å; V211-R215 PolarHBondContact O-N 2.76Å; V211-R215 VanDerWaalsContact O-N 3.15Å; L212-R215 PolarHBondContact O-N 3.32Å; F213-R215 VanDerWaalsContact C-N 3.28Å; F213-R215 PolarHBondContact O-N 3.28Å; R215-A218 WeakPolarHBondContact O-CB 3.46Å; R215-A218 PolarHBondContact O-N 3.2Å; R215-R219 PolarHBondContact O-N 3.24Å; R215-R219 VanDerWaalsContact O-N 3.1Å; R215-G282 PolarHBondContact NH1-O 3.32Å; R215-G297 WeakPolarHBondContact CD-O 3.41Å; R215-G297 PolarHBondContact NE-O 3.08Å
216E98.6Very high98.1Very high6 Ų633.8 Ų33.83%0.02817%0.173CC..Hα-helixtrans-70.9-40.6-178.5-178.857.9-166.300111.9L212 F213 A218 R219 R220 A303 W307L212-E216 WeakPolarHBondContact O-CB 3.25Å; L212-E216 PolarHBondContact O-N 3.36Å; F213-E216 PolarHBondContact O-N 3.32Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 3.06Å; E216-R219 WeakPolarHBondContact O-CB 3.36Å; E216-R219 PolarHBondContact O-N 2.93Å; E216-R219 VanDerWaalsContact O-N 3.15Å; E216-R219 IonicContact OE1-CZ 3.63Å; E216-R219 IonicContact OE1-NE 3.64Å; E216-R219 PolarHBondContact OE1-NE 3.01Å; E216-R219 IonicContact OE1-NH2 2.86Å; E216-R219 PolarHBondContact OE1-NH2 3.25Å; E216-R219 IonicContact OE2-CZ 3.6Å; E216-R219 IonicContact OE2-NE 2.74Å; E216-R219 PolarHBondContact OE2-NE 3.12Å; E216-R219 IonicContact OE2-NH2 3.78Å; E216-R220 WeakPolarHBondContact O-CG 3.48Å; E216-R220 PolarHBondContact O-N 3.12Å; E216-R220 IonicContact OE1-CZ 3.3Å; E216-R220 IonicContact OE1-NE 2.74Å; E216-R220 PolarHBondContact OE1-NE 3.26Å; E216-R220 IonicContact OE1-NH2 3.39Å; E216-A303 HydrophobicContact CB-CB 4.11Å; E216-W307 HydrophobicContact CB-CE3 3.75Å; E216-W307 HydrophobicContact CB-CZ3 4.07Å; E216-W307 HydrophobicContact CG-CB 4.11Å; E216-W307 HydrophobicContact CG-CD2 3.73Å; E216-W307 HydrophobicContact CG-CE3 3.28Å; E216-W307 HydrophobicContact CG-CG 4.12Å; E216-W307 HydrophobicContact CG-CZ3 3.86Å
217L98.7Very high98.1Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-61.5-42.3173.5-177.567000110.9T158 I162 V173 F213 R219 R220 L221 V228 W307 W318T158-L217 HydrophobicContact CG2-CD2 3.66Å; I162-L217 HydrophobicContact CD1-CD1 4.25Å; V173-L217 HydrophobicContact CG1-CD2 4.39Å; F213-L217 HydrophobicContact CE1-CD2 4.24Å; F213-L217 HydrophobicContact CE2-CB 4.3Å; F213-L217 HydrophobicContact CE2-CD2 4.35Å; F213-L217 HydrophobicContact CZ-CD2 3.81Å; F213-L217 VanDerWaalsContact O-CB 3.24Å; F213-L217 WeakPolarHBondContact O-CB 3.3Å; F213-L217 PolarHBondContact O-N 2.76Å; L217-R219 VanDerWaalsContact C-N 3.3Å; L217-R219 PolarHBondContact O-N 3.26Å; L217-R220 PolarHBondContact O-N 2.91Å; L217-L221 HydrophobicContact CD1-CD1 3.82Å; L217-L221 HydrophobicContact CD1-CG 3.93Å; L217-L221 HydrophobicContact CD2-CD1 4.34Å; L217-L221 HydrophobicContact CG-CD1 3.79Å; L217-L221 HydrophobicContact CG-CG 4.2Å; L217-L221 WeakPolarHBondContact O-CB 3.12Å; L217-L221 VanDerWaalsContact O-CG 3.28Å; L217-L221 WeakPolarHBondContact O-CG 3.39Å; L217-L221 PolarHBondContact O-N 3.09Å; L217-V228 HydrophobicContact CB-CG1 4.23Å; L217-V228 HydrophobicContact CD2-CB 4.46Å; L217-V228 HydrophobicContact CD2-CG1 3.85Å; L217-V228 HydrophobicContact CD2-CG2 3.85Å; L217-V228 HydrophobicContact CG-CG1 4.26Å; L217-V228 HydrophobicContact CG-CG2 3.92Å; L217-W307 HydrophobicContact CB-CH2 3.91Å; L217-W307 HydrophobicContact CB-CZ3 3.84Å; L217-W307 HydrophobicContact CD1-CH2 3.69Å; L217-W307 HydrophobicContact CD1-CZ3 4.46Å; L217-W307 HydrophobicContact CG-CH2 4.39Å; L217-W318 HydrophobicContact CD1-CH2 3.82Å; L217-W318 HydrophobicContact CD1-CZ2 3.51Å
218A98.4Very high98.1Very high12 Ų1234.8 Ų34.810%0.09918%0.178CC..Hα-helixtrans-58.2-41.4174.400000112.6A214 R215 E216 L221 K222 V228 S281 G282A214-A218 VanDerWaalsContact O-CB 3.25Å; A214-A218 WeakPolarHBondContact O-CB 3.2Å; A214-A218 PolarHBondContact O-N 3.48Å; R215-A218 WeakPolarHBondContact O-CB 3.46Å; R215-A218 PolarHBondContact O-N 3.2Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 3.06Å; A218-L221 PolarHBondContact O-N 3.05Å; A218-K222 PolarHBondContact O-N 3.17Å; A218-V228 HydrophobicContact CB-CB 4.12Å; A218-S281 VanDerWaalsContact CB-OG 3.24Å; A218-S281 WeakPolarHBondContact CB-OG 3.31Å; A218-G282 VanDerWaalsContact CB-N 3.27Å
219R97.8Very high98.2Very high136 Ų13635 Ų3551%0.51318%0.179SC..Hα-helixtrans-63-47176.8-169.6-173.671.181.6-1111.1R215 E216 L217 L221 K222R215-R219 PolarHBondContact O-N 3.24Å; R215-R219 VanDerWaalsContact O-N 3.1Å; E216-R219 WeakPolarHBondContact O-CB 3.36Å; E216-R219 PolarHBondContact O-N 2.93Å; E216-R219 VanDerWaalsContact O-N 3.15Å; E216-R219 IonicContact OE1-CZ 3.63Å; E216-R219 IonicContact OE1-NE 3.64Å; E216-R219 PolarHBondContact OE1-NE 3.01Å; E216-R219 IonicContact OE1-NH2 2.86Å; E216-R219 PolarHBondContact OE1-NH2 3.25Å; E216-R219 IonicContact OE2-CZ 3.6Å; E216-R219 IonicContact OE2-NE 2.74Å; E216-R219 PolarHBondContact OE2-NE 3.12Å; E216-R219 IonicContact OE2-NH2 3.78Å; L217-R219 VanDerWaalsContact C-N 3.3Å; L217-R219 PolarHBondContact O-N 3.26Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.28Å; R219-K222 WeakPolarHBondContact O-CB 3.04Å; R219-K222 PolarHBondContact O-N 3.15Å
220R97.7Very high98.2Very high71 Ų7135 Ų3527%0.26818%0.179SC..Hα-helixtrans-69.3-25.5180-70.4177175.7-107.57.2113.6E216 L217 W307 W318E216-R220 WeakPolarHBondContact O-CG 3.48Å; E216-R220 PolarHBondContact O-N 3.12Å; E216-R220 IonicContact OE1-CZ 3.3Å; E216-R220 IonicContact OE1-NE 2.74Å; E216-R220 PolarHBondContact OE1-NE 3.26Å; E216-R220 IonicContact OE1-NH2 3.39Å; L217-R220 PolarHBondContact O-N 2.91Å; R220-W307 VanDerWaalsContact CD-CE2 3.48Å; R220-W307 VanDerWaalsContact CZ-NE1 3.31Å; R220-W307 VanDerWaalsContact NH2-CD1 3.32Å; R220-W318 PolarHBondContact NH1-O 3.33Å
221L97.6Very high98.1Very high4 Ų434.9 Ų34.92%0.02118%0.179CC..THydrogen-bonded Turntrans-93.67.1178-66.2-175.8000114.4I162 K166 L217 A218 R219 G223 T224 V226 V228I162-L221 HydrophobicContact CD1-CD1 3.78Å; I162-L221 HydrophobicContact CD1-CD2 3.89Å; I162-L221 HydrophobicContact CD1-CG 4.39Å; I162-L221 HydrophobicContact CG1-CD2 4Å; K166-L221 VanDerWaalsContact CE-CD2 3.41Å; L217-L221 HydrophobicContact CD1-CD1 3.82Å; L217-L221 HydrophobicContact CD1-CG 3.93Å; L217-L221 HydrophobicContact CD2-CD1 4.34Å; L217-L221 HydrophobicContact CG-CD1 3.79Å; L217-L221 HydrophobicContact CG-CG 4.2Å; L217-L221 WeakPolarHBondContact O-CB 3.12Å; L217-L221 VanDerWaalsContact O-CG 3.28Å; L217-L221 WeakPolarHBondContact O-CG 3.39Å; L217-L221 PolarHBondContact O-N 3.09Å; A218-L221 PolarHBondContact O-N 3.05Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.28Å; L221-G223 PolarHBondContact O-N 3.4Å; L221-T224 HydrophobicContact CD2-CG2 4.45Å; L221-T224 WeakPolarHBondContact O-CB 3.43Å; L221-T224 WeakPolarHBondContact O-CG2 3.48Å; L221-T224 PolarHBondContact O-N 2.98Å; L221-T224 PolarHBondContact O-OG1 3.5Å; L221-V226 HydrophobicContact CD1-CB 3.92Å; L221-V226 HydrophobicContact CD1-CG1 3.75Å; L221-V228 HydrophobicContact CD1-CG2 3.72Å
222K96.8Very high97.6Very high189 Ų18935.5 Ų35.582%0.82218%0.181SC*.THydrogen-bonded Turntrans-53.9129.8176.8-169.3-179.6-175.4-175.10110.5A218 R219 T224A218-K222 PolarHBondContact O-N 3.17Å; R219-K222 WeakPolarHBondContact O-CB 3.04Å; R219-K222 PolarHBondContact O-N 3.15Å; K222-T224 VanDerWaalsContact C-N 3.35Å
223G96.4Very high96.9Very high84 Ų8435.9 Ų35.987%0.86618%0.184SC*.THydrogen-bonded Turntrans85.7-4.5-178.700000115.5L221L221-G223 PolarHBondContact O-N 3.4Å
224T96.9Very high95.8Very high38 Ų3836.2 Ų36.223%0.23319%0.188CC..THydrogen-bonded Turntrans-92.9-4.418068.30000114.4K166 A169 L221 K222 V226K166-T224 HydrophobicContact CD-CG2 4.36Å; K166-T224 HydrophobicContact CG-CG2 4.41Å; A169-T224 WeakPolarHBondContact CB-O 3.09Å; L221-T224 HydrophobicContact CD2-CG2 4.45Å; L221-T224 WeakPolarHBondContact O-CB 3.43Å; L221-T224 WeakPolarHBondContact O-CG2 3.48Å; L221-T224 PolarHBondContact O-N 2.98Å; L221-T224 PolarHBondContact O-OG1 3.5Å; K222-T224 VanDerWaalsContact C-N 3.35Å; T224-V226 PolarHBondContact O-N 2.9Å
225N97.4Very high94.5Very high79 Ų7939.6 Ų39.642%0.42221%0.209SC..THydrogen-bonded Turntrans58.228.4-174.3-161.130.3000113.8A169 P170 A171 M227A169-N225 HydrophobicContact CB-CB 4.05Å; P170-N225 WeakPolarHBondContact CA-O 3.46Å; A171-N225 PolarHBondContact N-O 3.12Å; N225-M227 WeakPolarHBondContact OD1-CE 3.28Å
226V98.4Very high92.7Very high2 Ų236.6 Ų36.61%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-108.3112.8170-175.30000108.6L165 K166 A171 V173 L221 T224L165-V226 HydrophobicContact CB-CG1 4.37Å; K166-V226 HydrophobicContact CG-CG2 4.25Å; A171-V226 HydrophobicContact CB-CG1 4.34Å; A171-V226 HydrophobicContact CB-CG2 4.32Å; A171-V226 CarbonylContact O-C 3.54Å; A171-V226 WeakPolarHBondContact O-CA 3.47Å; V173-V226 HydrophobicContact CG2-CG1 4.2Å; L221-V226 HydrophobicContact CD1-CB 3.92Å; L221-V226 HydrophobicContact CD1-CG1 3.75Å; T224-V226 PolarHBondContact O-N 2.9Å
227M98.6Very high90.8Very high27 Ų2739.9 Ų39.913%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-93.3136.5-176.6-53.1-29.6166.600110.7A171 R172 V173 N225 H278A171-M227 PolarHBondContact O-N 2.81Å; R172-M227 CarbonylContact C-O 3.55Å; R172-M227 VanDerWaalsContact CA-O 3.25Å; R172-M227 WeakPolarHBondContact CA-O 3.33Å; V173-M227 PolarHBondContact N-O 2.87Å; N225-M227 WeakPolarHBondContact OD1-CE 3.28Å; M227-H278 WeakPolarHBondContact CE-O 3.39Å; M227-H278 WeakPolarHBondContact CG-O 3.29Å
228V98.7Very high88.8Confident0 Ų040.7 Ų40.70%022%0.223CC..EExtended strand (participates in β ladder)trans-127.6120.5-175.6-176.10000108.9V173 A214 L217 A218 L221 S281 G282V173-V228 HydrophobicContact CB-CB 4.41Å; V173-V228 HydrophobicContact CB-CG1 4.13Å; V173-V228 HydrophobicContact CB-CG2 4Å; V173-V228 HydrophobicContact CG1-CG1 4.4Å; V173-V228 HydrophobicContact CG2-CG2 4.22Å; V173-V228 WeakPolarHBondContact O-CA 3.14Å; A214-V228 HydrophobicContact CB-CG1 4.08Å; A214-V228 WeakPolarHBondContact O-CG1 3.43Å; L217-V228 HydrophobicContact CB-CG1 4.23Å; L217-V228 HydrophobicContact CD2-CB 4.46Å; L217-V228 HydrophobicContact CD2-CG1 3.85Å; L217-V228 HydrophobicContact CD2-CG2 3.85Å; L217-V228 HydrophobicContact CG-CG1 4.26Å; L217-V228 HydrophobicContact CG-CG2 3.92Å; A218-V228 HydrophobicContact CB-CB 4.12Å; L221-V228 HydrophobicContact CD1-CG2 3.72Å; V228-S281 PolarHBondContact N-OG 2.79Å; V228-S281 CarbonylContact O-C 3.53Å; V228-S281 PolarHBondContact O-OG 3.24Å; V228-G282 PolarHBondContact O-N 2.97Å
229N98.8Very high86.9Confident5 Ų544.1 Ų44.13%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-135.2150.5176.8-66-62.3000110.5V173 V174 V175 V280 S281 G282 K283 F285V173-N229 PolarHBondContact O-N 3.32Å; V174-N229 WeakPolarHBondContact CA-O 3.29Å; V175-N229 PolarHBondContact N-O 3.02Å; N229-V280 PolarHBondContact ND2-O 3.37Å; N229-S281 WeakPolarHBondContact OD1-CA 3.3Å; N229-G282 PolarHBondContact OD1-N 2.89Å; N229-K283 PolarHBondContact OD1-N 2.99Å; N229-F285 HydrophobicContact CB-CD2 4.1Å; N229-F285 HydrophobicContact CB-CE2 3.96Å
230S98.4Very high85Confident0 Ų039.5 Ų39.50%023%0.225CC..EExtended strand (participates in β ladder)trans-102.1152.1172.359.20000110.8V175 K283 H284 F285V175-S230 CarbonylContact O-C 3.47Å; V175-S230 WeakPolarHBondContact O-CA 3.41Å; S230-K283 PolarHBondContact N-O 3.12Å; S230-K283 PolarHBondContact OG-O 3.45Å; S230-H284 CarbonylContact O-C 3.57Å; S230-H284 VanDerWaalsContact O-CA 3.3Å; S230-H284 WeakPolarHBondContact O-CA 3.45Å; S230-H284 PolarHBondContact OG-ND1 3.31Å; S230-F285 PolarHBondContact O-N 3.38Å
231V96.9Very high83.1Confident0 Ų036.7 Ų36.70%022%0.215CC..EExtended strand (participates in β ladder)trans-132.6151.3-179.5-50.30000111.4V174 V175 V176 S177 T267 C271 F285V174-V231 HydrophobicContact CG1-CG1 3.78Å; V174-V231 HydrophobicContact CG1-CG2 4.18Å; V175-V231 PolarHBondContact O-N 3.41Å; V176-V231 HydrophobicContact CB-CG2 4.37Å; V176-V231 HydrophobicContact CG1-CG2 4.44Å; V176-V231 HydrophobicContact CG2-CG2 3.95Å; S177-V231 CarbonylContact C-O 3.49Å; S177-V231 WeakPolarHBondContact CA-O 3.5Å; S177-V231 PolarHBondContact N-O 3.42Å; V231-T267 HydrophobicContact CB-CG2 3.87Å; V231-T267 HydrophobicContact CG1-CG2 3.97Å; V231-C271 HydrophobicContact CG1-CB 3.94Å; V231-C271 WeakPolarHBondContact CG1-SG 3.36Å; V231-F285 CarbonylContact C-O 3.58Å; V231-F285 VanDerWaalsContact CA-O 3.32Å; V231-F285 WeakPolarHBondContact CA-O 3.37Å; V231-F285 HydrophobicContact CG1-CB 4.37Å
232H89.8Confident81.7Confident13 Ų1341.8 Ų41.86%0.0623%0.234CC..EExtended strand (participates in β ladder)trans-111.5126.7160.416947.2000108.8S178 L179 G234 F285S178-H232 VanDerWaalsContact CA-ND1 3.32Å; S178-H232 WeakPolarHBondContact CA-ND1 3.45Å; L179-H232 WeakPolarHBondContact CB-NE2 3.36Å; L179-H232 PolarHBondContact N-CE1 2.9Å; L179-H232 PolarHBondContact N-ND1 3.25Å; H232-G234 PolarHBondContact CD2-N 2.74Å; H232-G234 WeakPolarHBondContact CE1-CA 3.5Å; H232-G234 PolarHBondContact CE1-N 2.92Å; H232-G234 PolarHBondContact CE1-O 3.06Å; H232-G234 PolarHBondContact ND1-N 2.85Å; H232-G234 WeakPolarHBondContact NE2-CA 3.43Å; H232-G234 PolarHBondContact NE2-N 2.99Å; H232-G234 PolarHBondContact O-N 2.99Å; H232-F285 PolarHBondContact N-O 3.38Å
233P83Confident80.1Confident10 Ų1036.8 Ų36.87%0.06521%0.213CC..  trans-790.7-179.131.8-37.7000114.2I54 V176 V236 K259 G264I54-P233 HydrophobicContact CD1-CB 3.66Å; I54-P233 HydrophobicContact CD1-CG 3.65Å; I54-P233 HydrophobicContact CG1-CB 4.48Å; V176-P233 HydrophobicContact CG1-CG 4.36Å; P233-V236 HydrophobicContact CB-CG2 3.99Å; P233-V236 HydrophobicContact CG-CG2 4.41Å; P233-V236 WeakPolarHBondContact O-CG2 3.36Å; P233-K259 WeakPolarHBondContact O-CD 3.31Å; P233-G264 WeakPolarHBondContact CB-O 3.11Å; P233-G264 WeakPolarHBondContact O-CA 3.35Å
234G76.8Confident78.5Confident10 Ų1033.7 Ų33.710%0.10318%0.179CC..  trans82.8-175.9-165.600000112.9H232 V236H232-G234 PolarHBondContact CD2-N 2.74Å; H232-G234 WeakPolarHBondContact CE1-CA 3.5Å; H232-G234 PolarHBondContact CE1-N 2.92Å; H232-G234 PolarHBondContact CE1-O 3.06Å; H232-G234 PolarHBondContact ND1-N 2.85Å; H232-G234 WeakPolarHBondContact NE2-CA 3.43Å; H232-G234 PolarHBondContact NE2-N 2.99Å; H232-G234 PolarHBondContact O-N 2.99Å; G234-V236 PolarHBondContact O-N 3.07Å
235T71.2Confident77Confident72 Ų7236.5 Ų36.544%0.44220%0.196SC..SBendtrans-82.794.1173.3-45.30000108.8F251 L258 K259T235-F251 HydrophobicContact CG2-CE1 4.04Å; T235-F251 HydrophobicContact CG2-CE2 4.33Å; T235-F251 HydrophobicContact CG2-CZ 3.52Å; T235-L258 HydrophobicContact CG2-CD2 3.4Å; T235-L258 VanDerWaalsContact CG2-CD2 3.4Å; T235-L258 WeakPolarHBondContact O-CA 3.3Å; T235-K259 PolarHBondContact O-N 2.76Å
236V60.5Low75.4Confident10 Ų1038.1 Ų38.16%0.06120%0.204CC..BIsolated β-bridgetrans-99.3133.3-172.8-176.70000110.7I54 P233 G234 S238 K259I54-V236 HydrophobicContact CD1-CB 3.98Å; I54-V236 HydrophobicContact CD1-CG1 4.1Å; I54-V236 HydrophobicContact CD1-CG2 3.85Å; I54-V236 HydrophobicContact CG1-CB 4.29Å; I54-V236 HydrophobicContact CG1-CG1 3.86Å; I54-V236 HydrophobicContact CG1-CG2 4.21Å; P233-V236 HydrophobicContact CB-CG2 3.99Å; P233-V236 HydrophobicContact CG-CG2 4.41Å; P233-V236 WeakPolarHBondContact O-CG2 3.36Å; G234-V236 PolarHBondContact O-N 3.07Å; V236-S238 PolarHBondContact O-N 2.72Å; V236-S238 PolarHBondContact O-OG 2.81Å; V236-K259 WeakPolarHBondContact CA-O 3.33Å; V236-K259 HydrophobicContact CB-CB 4.46Å; V236-K259 HydrophobicContact CG2-CB 3.93Å
237N58.7Low73.5Confident75 Ų7540.7 Ų40.740%0.40122%0.217SC..  trans-70.1101.3168.3-166.69.8000109.2L258 K259N237-L258 HydrophobicContact CB-CB 4.1Å; N237-L258 HydrophobicContact CB-CD1 3.93Å; N237-K259 PolarHBondContact N-O 2.7Å
238S55.9Low71.7Confident18 Ų1842.8 Ų42.813%0.12623%0.227CC..SBendtrans-144.3163.5-176.760.30000109.9V236 L240 T241V236-S238 PolarHBondContact O-N 2.72Å; V236-S238 PolarHBondContact O-OG 2.81Å; S238-L240 PolarHBondContact O-N 3.25Å; S238-L240 WeakPolarHBondContact OG-CB 3.43Å; S238-T241 PolarHBondContact O-N 3.21Å; S238-T241 PolarHBondContact O-OG1 3.21Å
239D58.8Low69.9Low83 Ų8347.6 Ų47.644%0.44425%0.252SS..G310 helixtrans-62.11.8177.6-59.3-41.2000114.1T52 T241 R242T52-D239 VanDerWaalsContact CB-OD2 3.29Å; T52-D239 WeakPolarHBondContact CB-OD2 3.21Å; T52-D239 PolarHBondContact OG1-OD2 3.32Å; D239-T241 PolarHBondContact O-N 3.08Å; D239-R242 WeakPolarHBondContact O-CB 3.41Å; D239-R242 VanDerWaalsContact O-CD 3.28Å; D239-R242 WeakPolarHBondContact O-CD 3.44Å; D239-R242 WeakPolarHBondContact O-CG 3.39Å; D239-R242 PolarHBondContact O-N 3.35Å; D239-R242 PolarHBondContact O-NH1 3.25Å
240L57.3Low68Low40 Ų4050.4 Ų50.421%0.20927%0.266CS..G310 helixtrans-63.3-26.8176.6-166.861.4000111.9G130 M132 S238 R242G130-L240 WeakPolarHBondContact O-CD1 3.19Å; M132-L240 HydrophobicContact CB-CD1 3.53Å; M132-L240 HydrophobicContact CB-CD2 4.18Å; M132-L240 HydrophobicContact CB-CG 3.5Å; M132-L240 VanDerWaalsContact CB-CG 3.5Å; M132-L240 HydrophobicContact CE-CB 4.48Å; M132-L240 HydrophobicContact CE-CD2 4.49Å; M132-L240 HydrophobicContact CE-CG 4.06Å; M132-L240 HydrophobicContact CG-CG 4.29Å; M132-L240 HydrophobicContact SD-CD2 3.95Å; M132-L240 HydrophobicContact SD-CG 3.96Å; S238-L240 PolarHBondContact O-N 3.25Å; S238-L240 WeakPolarHBondContact OG-CB 3.43Å; L240-R242 VanDerWaalsContact C-N 3.34Å
241T58.2Low66.1Low11 Ų1152 Ų527%0.06727%0.273CS..G310 helixtrans-82.2-6179.357.30000114.4M132 S238 D239 H243 S244 M247 M248 F251M132-T241 HydrophobicContact CE-CG2 3.74Å; S238-T241 PolarHBondContact O-N 3.21Å; S238-T241 PolarHBondContact O-OG1 3.21Å; D239-T241 PolarHBondContact O-N 3.08Å; T241-H243 PolarHBondContact O-N 3.35Å; T241-S244 PolarHBondContact O-N 2.95Å; T241-M247 HydrophobicContact CG2-CB 4.29Å; T241-M248 WeakPolarHBondContact O-CG 3.38Å; T241-F251 HydrophobicContact CG2-CD1 3.64Å; T241-F251 HydrophobicContact CG2-CD2 4.29Å; T241-F251 HydrophobicContact CG2-CE1 3.71Å; T241-F251 HydrophobicContact CG2-CE2 4.33Å; T241-F251 HydrophobicContact CG2-CG 3.97Å; T241-F251 HydrophobicContact CG2-CZ 4.06Å
242R68.6Low64.2Low111 Ų11157 Ų5742%0.41930%0.304SS..THydrogen-bonded Turntrans-55.8-20.4-17171.4-173.5173-110.33.5115.5D239 L240D239-R242 WeakPolarHBondContact O-CB 3.41Å; D239-R242 VanDerWaalsContact O-CD 3.28Å; D239-R242 WeakPolarHBondContact O-CD 3.44Å; D239-R242 WeakPolarHBondContact O-CG 3.39Å; D239-R242 PolarHBondContact O-N 3.35Å; D239-R242 PolarHBondContact O-NH1 3.25Å; L240-R242 VanDerWaalsContact C-N 3.34Å
243H63.8Low62.5Low84 Ų8461.2 Ų61.239%0.38933%0.33SS..THydrogen-bonded Turntrans-93.10.1-178.9-64.2-64.1000114C134 T241C134-H243 VanDerWaalsContact SG-CD2 3.58Å; T241-H243 PolarHBondContact O-N 3.35Å
244S62.4Low61.2Low20 Ų2065.6 Ų65.614%0.1435%0.349CS..  trans-131.9106.2176.6175.40000111.2T241 L246 M247 M248T241-S244 PolarHBondContact O-N 2.95Å; S244-L246 PolarHBondContact O-N 3.33Å; S244-M247 PolarHBondContact O-N 3.04Å; S244-M247 WeakPolarHBondContact OG-CG 3.4Å; S244-M247 PolarHBondContact OG-N 2.94Å; S244-M248 WeakPolarHBondContact O-CG 3.48Å; S244-M248 PolarHBondContact O-N 3.03Å
245T65.6Low60.3Low97 Ų9767.9 Ų67.960%0.59536%0.363SS*.Hα-helixtrans-56.1-39.2177.4-480000112.4M248 I249T245-M248 HydrophobicContact CG2-CE 4.5Å; T245-M248 PolarHBondContact O-N 3.24Å; T245-I249 HydrophobicContact CG2-CD1 4.18Å; T245-I249 VanDerWaalsContact O-CG1 3.32Å; T245-I249 WeakPolarHBondContact O-CG1 3.41Å; T245-I249 PolarHBondContact O-N 3.49Å
246L62.4Low59.5Low113 Ų11367.8 Ų67.859%0.59236%0.362SS*.Hα-helixtrans-62.1-44.4176178.262.8000111.7S244 I249 L250S244-L246 PolarHBondContact O-N 3.33Å; L246-I249 PolarHBondContact O-N 2.85Å; L246-L250 HydrophobicContact CD1-CD1 4.08Å; L246-L250 HydrophobicContact CG-CD1 3.91Å; L246-L250 WeakPolarHBondContact O-CB 3.47Å; L246-L250 PolarHBondContact O-N 2.95Å
247M58.7Low59.3Low56 Ų5672.4 Ų72.428%0.27638%0.382SS..Hα-helixtrans-70.2-35.9177.6-70.6-65.6133.600112.2T241 S244 I249 L250 F251T241-M247 HydrophobicContact CG2-CB 4.29Å; S244-M247 PolarHBondContact O-N 3.04Å; S244-M247 WeakPolarHBondContact OG-CG 3.4Å; S244-M247 PolarHBondContact OG-N 2.94Å; M247-I249 VanDerWaalsContact C-N 3.33Å; M247-I249 PolarHBondContact O-N 3.06Å; M247-L250 HydrophobicContact CE-CD1 3.61Å; M247-L250 PolarHBondContact O-N 3.29Å; M247-L250 HydrophobicContact SD-CD1 4.19Å; M247-F251 VanDerWaalsContact O-CB 3.25Å; M247-F251 WeakPolarHBondContact O-CB 3.38Å; M247-F251 WeakPolarHBondContact O-CD2 3.32Å; M247-F251 PolarHBondContact O-N 2.89Å; M247-F251 HydrophobicContact SD-CE2 4.35Å
248M61.3Low59.7Low71 Ų7169.5 Ų69.535%0.3537%0.366SS..Hα-helixtrans-59.8-44.2172.8-69.9-168.3-66.900111.3T241 S244 T245 T252T241-M248 WeakPolarHBondContact O-CG 3.38Å; S244-M248 WeakPolarHBondContact O-CG 3.48Å; S244-M248 PolarHBondContact O-N 3.03Å; T245-M248 HydrophobicContact CG2-CE 4.5Å; T245-M248 PolarHBondContact O-N 3.24Å; M248-T252 WeakPolarHBondContact O-CB 3.47Å; M248-T252 PolarHBondContact O-N 3.16Å; M248-T252 PolarHBondContact O-OG1 3.29Å
249I60.8Low60.7Low101 Ų10169.2 Ų69.252%0.51836%0.362SS..Hα-helixtrans-64.8-49.3176.8-66.8165.8000110.6T245 L246 M247 F251 T252 V253T245-I249 HydrophobicContact CG2-CD1 4.18Å; T245-I249 VanDerWaalsContact O-CG1 3.32Å; T245-I249 WeakPolarHBondContact O-CG1 3.41Å; T245-I249 PolarHBondContact O-N 3.49Å; L246-I249 PolarHBondContact O-N 2.85Å; M247-I249 VanDerWaalsContact C-N 3.33Å; M247-I249 PolarHBondContact O-N 3.06Å; I249-F251 PolarHBondContact O-N 2.96Å; I249-T252 PolarHBondContact O-N 3.42Å; I249-V253 HydrophobicContact CG2-CG2 4.44Å; I249-V253 VanDerWaalsContact O-CG2 3.3Å; I249-V253 WeakPolarHBondContact O-CG2 3.38Å; I249-V253 PolarHBondContact O-N 3.28Å
250L58.3Low61.9Low63 Ų6367.6 Ų67.633%0.3336%0.356SS..Hα-helixtrans-57.8-45.7177.4-84.3157.4000112L246 M247 T252 V253 F254L246-L250 HydrophobicContact CD1-CD1 4.08Å; L246-L250 HydrophobicContact CG-CD1 3.91Å; L246-L250 WeakPolarHBondContact O-CB 3.47Å; L246-L250 PolarHBondContact O-N 2.95Å; M247-L250 HydrophobicContact CE-CD1 3.61Å; M247-L250 PolarHBondContact O-N 3.29Å; M247-L250 HydrophobicContact SD-CD1 4.19Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.05Å; L250-V253 PolarHBondContact O-N 3.23Å; L250-F254 HydrophobicContact CD2-CD2 4.06Å; L250-F254 HydrophobicContact CD2-CE2 3.87Å; L250-F254 WeakPolarHBondContact O-CB 3.38Å; L250-F254 VanDerWaalsContact O-CD2 3.31Å; L250-F254 WeakPolarHBondContact O-CD2 3.22Å; L250-F254 PolarHBondContact O-N 2.86Å
251F59.5Low63.2Low33 Ų3367.4 Ų67.415%0.14536%0.357CS..Hα-helixtrans-69.5-32.1-178.9-86.7-132.7000112.1T235 T241 M247 I249 S255 L258T235-F251 HydrophobicContact CG2-CE1 4.04Å; T235-F251 HydrophobicContact CG2-CE2 4.33Å; T235-F251 HydrophobicContact CG2-CZ 3.52Å; T241-F251 HydrophobicContact CG2-CD1 3.64Å; T241-F251 HydrophobicContact CG2-CD2 4.29Å; T241-F251 HydrophobicContact CG2-CE1 3.71Å; T241-F251 HydrophobicContact CG2-CE2 4.33Å; T241-F251 HydrophobicContact CG2-CG 3.97Å; T241-F251 HydrophobicContact CG2-CZ 4.06Å; M247-F251 VanDerWaalsContact O-CB 3.25Å; M247-F251 WeakPolarHBondContact O-CB 3.38Å; M247-F251 WeakPolarHBondContact O-CD2 3.32Å; M247-F251 PolarHBondContact O-N 2.89Å; M247-F251 HydrophobicContact SD-CE2 4.35Å; I249-F251 PolarHBondContact O-N 2.96Å; F251-S255 VanDerWaalsContact O-CA 3.26Å; F251-S255 WeakPolarHBondContact O-CA 3.48Å; F251-S255 WeakPolarHBondContact O-CB 3.47Å; F251-S255 PolarHBondContact O-N 3.45Å; F251-L258 HydrophobicContact CB-CD1 3.63Å; F251-L258 HydrophobicContact CD1-CD1 3.22Å; F251-L258 HydrophobicContact CD1-CD2 4.1Å; F251-L258 HydrophobicContact CD1-CG 4.31Å; F251-L258 HydrophobicContact CD2-CD1 4.35Å; F251-L258 HydrophobicContact CE1-CD1 3.87Å; F251-L258 HydrophobicContact CE1-CD2 3.92Å; F251-L258 HydrophobicContact CE2-CD2 4.49Å; F251-L258 HydrophobicContact CG-CD1 3.49Å; F251-L258 VanDerWaalsContact CG-CD1 3.49Å; F251-L258 HydrophobicContact CG-CD2 4.44Å; F251-L258 HydrophobicContact CZ-CD2 4.13Å; F251-L258 WeakPolarHBondContact O-CD1 3.49Å
252T57.4Low64.7Low106 Ų10671.1 Ų71.165%0.6538%0.376SS*.Hα-helixtrans-66.5-45.9173.4-57.50000110.6M248 I249 L250 S255M248-T252 WeakPolarHBondContact O-CB 3.47Å; M248-T252 PolarHBondContact O-N 3.16Å; M248-T252 PolarHBondContact O-OG1 3.29Å; I249-T252 PolarHBondContact O-N 3.42Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.05Å; T252-S255 PolarHBondContact O-OG 3.34Å
253V52.9Low65.8Low101 Ų10167.5 Ų67.561%0.61236%0.364SS*.Hα-helixtrans-68.5-36.7-179.7173.10000112.3I249 L250I249-V253 HydrophobicContact CG2-CG2 4.44Å; I249-V253 VanDerWaalsContact O-CG2 3.3Å; I249-V253 WeakPolarHBondContact O-CG2 3.38Å; I249-V253 PolarHBondContact O-N 3.28Å; L250-V253 PolarHBondContact O-N 3.23Å
254F56Low67Low103 Ų10363.5 Ų63.545%0.45235%0.345SS..THydrogen-bonded Turntrans-103.420.1-178-68.1-74000113.9L250 V256 F257L250-F254 HydrophobicContact CD2-CD2 4.06Å; L250-F254 HydrophobicContact CD2-CE2 3.87Å; L250-F254 WeakPolarHBondContact O-CB 3.38Å; L250-F254 VanDerWaalsContact O-CD2 3.31Å; L250-F254 WeakPolarHBondContact O-CD2 3.22Å; L250-F254 PolarHBondContact O-N 2.86Å; F254-V256 PolarHBondContact O-N 3.43Å; F254-F257 HydrophobicContact CB-CD2 4.26Å; F254-F257 AromaticContact CD1-CD2 4Å; F254-F257 HydrophobicContact CD1-CD2 4Å; F254-F257 HydrophobicContact CD1-CE2 4.15Å; F254-F257 WeakPolarHBondContact O-CB 3.27Å; F254-F257 PolarHBondContact O-N 2.89Å
255S58Low68.6Low58 Ų5862.6 Ų62.641%0.40634%0.338SS..G310 helixtrans-55.3-29.8-172.9560000114.9F251 T252 F257 L258F251-S255 VanDerWaalsContact O-CA 3.26Å; F251-S255 WeakPolarHBondContact O-CA 3.48Å; F251-S255 WeakPolarHBondContact O-CB 3.47Å; F251-S255 PolarHBondContact O-N 3.45Å; T252-S255 PolarHBondContact O-OG 3.34Å; S255-F257 PolarHBondContact O-N 2.91Å; S255-L258 PolarHBondContact O-N 3.2Å
256V53.7Low70.1Confident69 Ų6958.6 Ų58.642%0.41831%0.313SS..G310 helixtrans-66-23.1176.1-176.40000112.9R26 F254R26-V256 HydrophobicContact CB-CG1 4.47Å; R26-V256 WeakPolarHBondContact CD-O 3.36Å; F254-V256 PolarHBondContact O-N 3.43Å
257F56.7Low71.7Confident108 Ų10853.2 Ų53.247%0.47429%0.285SS..G310 helixtrans-96.8-2.3179-56-91.9000112.8I25 F254 S255I25-F257 HydrophobicContact CB-CE1 4.43Å; I25-F257 HydrophobicContact CD1-CE1 4.34Å; I25-F257 HydrophobicContact CG2-CD1 3.37Å; I25-F257 HydrophobicContact CG2-CE1 3.32Å; I25-F257 HydrophobicContact CG2-CZ 4.44Å; F254-F257 HydrophobicContact CB-CD2 4.26Å; F254-F257 AromaticContact CD1-CD2 4Å; F254-F257 HydrophobicContact CD1-CD2 4Å; F254-F257 HydrophobicContact CD1-CE2 4.15Å; F254-F257 WeakPolarHBondContact O-CB 3.27Å; F254-F257 PolarHBondContact O-N 2.89Å; S255-F257 PolarHBondContact O-N 2.91Å
258L67Low73.6Confident13 Ų1350.6 Ų50.67%0.06827%0.272CS..SBendtrans-94.3144.9178.3-59.8179.8000110.5T235 N237 F251 S255T235-L258 HydrophobicContact CG2-CD2 3.4Å; T235-L258 VanDerWaalsContact CG2-CD2 3.4Å; T235-L258 WeakPolarHBondContact O-CA 3.3Å; N237-L258 HydrophobicContact CB-CB 4.1Å; N237-L258 HydrophobicContact CB-CD1 3.93Å; F251-L258 HydrophobicContact CB-CD1 3.63Å; F251-L258 HydrophobicContact CD1-CD1 3.22Å; F251-L258 HydrophobicContact CD1-CD2 4.1Å; F251-L258 HydrophobicContact CD1-CG 4.31Å; F251-L258 HydrophobicContact CD2-CD1 4.35Å; F251-L258 HydrophobicContact CE1-CD1 3.87Å; F251-L258 HydrophobicContact CE1-CD2 3.92Å; F251-L258 HydrophobicContact CE2-CD2 4.49Å; F251-L258 HydrophobicContact CG-CD1 3.49Å; F251-L258 VanDerWaalsContact CG-CD1 3.49Å; F251-L258 HydrophobicContact CG-CD2 4.44Å; F251-L258 HydrophobicContact CZ-CD2 4.13Å; F251-L258 WeakPolarHBondContact O-CD1 3.49Å; S255-L258 PolarHBondContact O-N 3.2Å
259K77.8Confident75.4Confident12 Ų1247.2 Ų47.25%0.05226%0.255CS..BIsolated β-bridgetrans-68.2144.1169.5-76179.4179.2167.10110.3A29 A30 P233 T235 V236 N237 E263 D287A29-K259 WeakPolarHBondContact O-CE 3.45Å; A29-K259 WeakPolarHBondContact O-CG 3.4Å; A30-K259 WeakPolarHBondContact O-CE 3.06Å; P233-K259 WeakPolarHBondContact O-CD 3.31Å; T235-K259 PolarHBondContact O-N 2.76Å; V236-K259 WeakPolarHBondContact CA-O 3.33Å; V236-K259 HydrophobicContact CB-CB 4.46Å; V236-K259 HydrophobicContact CG2-CB 3.93Å; N237-K259 PolarHBondContact N-O 2.7Å; K259-E263 WeakPolarHBondContact CA-OE2 3.41Å; K259-E263 HydrophobicContact CB-CB 3.98Å; K259-E263 HydrophobicContact CD-CB 4.45Å; K259-E263 HydrophobicContact CG-CB 4.14Å; K259-D287 IonicContact NZ-OD1 3.51Å; K259-D287 PolarHBondContact NZ-OD1 3.1Å; K259-D287 IonicContact NZ-OD2 2.64Å
260T83.2Confident77.2Confident50 Ų5043.7 Ų43.731%0.30724%0.236SC..PPolyproline II helixtrans-69.1159.7163.663.20000110.1L262 E263 G264T260-L262 PolarHBondContact O-N 3.03Å; T260-E263 PolarHBondContact N-OE2 3.07Å; T260-E263 PolarHBondContact O-N 3.26Å; T260-E263 VanDerWaalsContact OG1-CD 3.27Å; T260-E263 VanDerWaalsContact OG1-CG 3.31Å; T260-E263 WeakPolarHBondContact OG1-CG 3.4Å; T260-E263 PolarHBondContact OG1-N 3.14Å; T260-E263 PolarHBondContact OG1-OE2 3.25Å; T260-G264 PolarHBondContact O-N 2.96Å
261P85.8Confident79.1Confident36 Ų3640.8 Ų40.823%0.23422%0.221CC..Hα-helixtrans-50.3-39.8169.7-3339.7000113.9E57 G264 A265E57-P261 HydrophobicContact CG-CB 3.69Å; P261-G264 PolarHBondContact O-N 3.21Å; P261-A265 WeakPolarHBondContact O-CB 3.32Å; P261-A265 PolarHBondContact O-N 3.19Å
262L89.4Confident80.9Confident89 Ų8939.3 Ų39.347%0.46622%0.215SC..Hα-helixtrans-63.9-45.1179176.764.4000111.6E57 T260 G264 A265 Q266E57-L262 HydrophobicContact CG-CB 4.37Å; T260-L262 PolarHBondContact O-N 3.03Å; L262-G264 VanDerWaalsContact C-N 3.34Å; L262-A265 PolarHBondContact O-N 3.26Å; L262-Q266 WeakPolarHBondContact O-CG 3.48Å; L262-Q266 PolarHBondContact O-NE2 3.22Å
263E91.1Very high82.9Confident35 Ų3534.5 Ų34.516%0.16419%0.185CC..Hα-helixtrans-65.1-39.4174.8-72.8160.5-174.100111.4R26 A30 K259 T260 A265 Q266R26-E263 IonicContact CZ-OE1 2.7Å; R26-E263 VanDerWaalsContact CZ-OE1 3.32Å; R26-E263 IonicContact CZ-OE2 3.2Å; R26-E263 VanDerWaalsContact NH1-CD 3.31Å; R26-E263 IonicContact NH1-OE1 3.61Å; R26-E263 PolarHBondContact NH1-OE1 3.42Å; R26-E263 VanDerWaalsContact NH1-OE1 3.1Å; R26-E263 IonicContact NH1-OE2 3.32Å; R26-E263 PolarHBondContact NH1-OE2 3.04Å; R26-E263 IonicContact NH2-OE1 3.1Å; R26-E263 PolarHBondContact NH2-OE1 3.39Å; R26-E263 IonicContact NH2-OE2 2.76Å; R26-E263 PolarHBondContact NH2-OE2 3.19Å; A30-E263 VanDerWaalsContact CB-CD 3.45Å; A30-E263 HydrophobicContact CB-CG 4.07Å; A30-E263 WeakPolarHBondContact CB-OE1 3.02Å; K259-E263 WeakPolarHBondContact CA-OE2 3.41Å; K259-E263 HydrophobicContact CB-CB 3.98Å; K259-E263 HydrophobicContact CD-CB 4.45Å; K259-E263 HydrophobicContact CG-CB 4.14Å; T260-E263 PolarHBondContact N-OE2 3.07Å; T260-E263 PolarHBondContact O-N 3.26Å; T260-E263 VanDerWaalsContact OG1-CD 3.27Å; T260-E263 VanDerWaalsContact OG1-CG 3.31Å; T260-E263 WeakPolarHBondContact OG1-CG 3.4Å; T260-E263 PolarHBondContact OG1-N 3.14Å; T260-E263 PolarHBondContact OG1-OE2 3.25Å; E263-A265 VanDerWaalsContact C-N 3.3Å; E263-A265 PolarHBondContact O-N 3.19Å; E263-Q266 WeakPolarHBondContact O-CB 3.37Å; E263-Q266 WeakPolarHBondContact O-CG 3.5Å; E263-Q266 PolarHBondContact O-N 3.38Å
264G89.3Confident85Confident0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-64.3-32.1176.200000114.1P233 T260 P261 L262 Q266P233-G264 WeakPolarHBondContact CB-O 3.11Å; P233-G264 WeakPolarHBondContact O-CA 3.35Å; T260-G264 PolarHBondContact O-N 2.96Å; P261-G264 PolarHBondContact O-N 3.21Å; L262-G264 VanDerWaalsContact C-N 3.34Å; G264-Q266 VanDerWaalsContact C-N 3.29Å; G264-Q266 PolarHBondContact O-N 3.07Å
265A95.5Very high86.8Confident0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-71.8-21.5178.800000113.4I54 E57 T58 P261 L262 E263 T267 S268 V269I54-A265 HydrophobicContact CG2-CB 4.3Å; E57-A265 HydrophobicContact CB-CB 3.83Å; T58-A265 WeakPolarHBondContact OG1-CB 3.5Å; P261-A265 WeakPolarHBondContact O-CB 3.32Å; P261-A265 PolarHBondContact O-N 3.19Å; L262-A265 PolarHBondContact O-N 3.26Å; E263-A265 VanDerWaalsContact C-N 3.3Å; E263-A265 PolarHBondContact O-N 3.19Å; A265-T267 PolarHBondContact O-N 3.35Å; A265-S268 WeakPolarHBondContact O-CB 3.19Å; A265-S268 PolarHBondContact O-N 3.47Å; A265-V269 WeakPolarHBondContact O-CG2 3.32Å; A265-V269 PolarHBondContact O-N 2.64Å
266Q97.3Very high88.6Confident13 Ų1333.4 Ų33.46%0.06117%0.168CC..Hα-helixtrans-58.6-42.4-169-64.4-55.5-50.300113.7A32 V33 L262 E263 G264 V269 Y270A32-Q266 WeakPolarHBondContact O-CB 3.28Å; V33-Q266 HydrophobicContact CB-CG 4.43Å; V33-Q266 HydrophobicContact CG1-CG 4.33Å; V33-Q266 VanDerWaalsContact CG1-OE1 3.22Å; V33-Q266 HydrophobicContact CG2-CG 4.44Å; L262-Q266 WeakPolarHBondContact O-CG 3.48Å; L262-Q266 PolarHBondContact O-NE2 3.22Å; E263-Q266 WeakPolarHBondContact O-CB 3.37Å; E263-Q266 WeakPolarHBondContact O-CG 3.5Å; E263-Q266 PolarHBondContact O-N 3.38Å; G264-Q266 VanDerWaalsContact C-N 3.29Å; G264-Q266 PolarHBondContact O-N 3.07Å; Q266-V269 PolarHBondContact O-N 2.75Å; Q266-Y270 VanDerWaalsContact O-CB 3.25Å; Q266-Y270 WeakPolarHBondContact O-CB 3.32Å; Q266-Y270 PolarHBondContact O-N 2.75Å
267T96.9Very high90.6Very high1 Ų130.5 Ų30.51%0.00615%0.15CC..Hα-helixtrans-69.3-36.3178.2-50.10000111.9V231 A265 Y270 C271 F285 D287 C288V231-T267 HydrophobicContact CB-CG2 3.87Å; V231-T267 HydrophobicContact CG1-CG2 3.97Å; A265-T267 PolarHBondContact O-N 3.35Å; T267-Y270 PolarHBondContact O-N 3.01Å; T267-C271 PolarHBondContact O-N 2.69Å; T267-F285 HydrophobicContact CG2-CB 3.66Å; T267-D287 PolarHBondContact OG1-N 2.94Å; T267-D287 VanDerWaalsContact OG1-N 3.08Å; T267-C288 PolarHBondContact OG1-N 2.9Å
268S98.2Very high92.3Very high0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-64.3-46.1174.9-60.90000111.1A265 C271 A272A265-S268 WeakPolarHBondContact O-CB 3.19Å; A265-S268 PolarHBondContact O-N 3.47Å; S268-C271 PolarHBondContact O-N 3.34Å; S268-A272 VanDerWaalsContact O-CB 3.28Å; S268-A272 WeakPolarHBondContact O-CB 3.44Å; S268-A272 PolarHBondContact O-N 3.48Å
269V98.6Very high93.6Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-59.6-48.2174.2171.30000110.2C34 T58 D61 A265 Q266 C271 A272 V273C34-V269 HydrophobicContact CB-CB 4.43Å; C34-V269 HydrophobicContact CB-CG1 4.02Å; T58-V269 HydrophobicContact CG2-CG2 4.19Å; D61-V269 HydrophobicContact CB-CG2 3.84Å; D61-V269 WeakPolarHBondContact OD1-CG1 3.16Å; A265-V269 WeakPolarHBondContact O-CG2 3.32Å; A265-V269 PolarHBondContact O-N 2.64Å; Q266-V269 PolarHBondContact O-N 2.75Å; V269-C271 PolarHBondContact O-N 2.81Å; V269-A272 CarbonylContact O-C 3.53Å; V269-A272 WeakPolarHBondContact O-CA 3.44Å; V269-A272 WeakPolarHBondContact O-CB 3.38Å; V269-A272 PolarHBondContact O-N 3.4Å; V269-V273 HydrophobicContact CG1-CG2 4.11Å; V269-V273 WeakPolarHBondContact O-CG2 3.48Å; V269-V273 PolarHBondContact O-N 2.93Å
270Y98.5Very high94.5Very high28 Ų2835.6 Ų35.611%0.1119%0.187CC..Hα-helixtrans-54.5-52.4177.3178.4-103.1000112C34 Q266 T267 A272 V273 A274 E276 L277 F285 C288C34-Y270 VanDerWaalsContact SG-CA 3.58Å; Q266-Y270 VanDerWaalsContact O-CB 3.25Å; Q266-Y270 WeakPolarHBondContact O-CB 3.32Å; Q266-Y270 PolarHBondContact O-N 2.75Å; T267-Y270 PolarHBondContact O-N 3.01Å; Y270-A272 PolarHBondContact O-N 2.98Å; Y270-V273 PolarHBondContact O-N 3.46Å; Y270-A274 HydrophobicContact CD2-CB 3.58Å; Y270-A274 HydrophobicContact CE1-CB 4.47Å; Y270-A274 HydrophobicContact CE2-CB 3.43Å; Y270-A274 VanDerWaalsContact CE2-CB 3.43Å; Y270-A274 HydrophobicContact CG-CB 4.15Å; Y270-A274 WeakPolarHBondContact O-CB 3.34Å; Y270-A274 PolarHBondContact O-N 3.25Å; Y270-E276 WeakPolarHBondContact CE2-OE1 3.34Å; Y270-E276 WeakPolarHBondContact OH-CG 3.25Å; Y270-E276 PolarHBondContact OH-OE1 3.36Å; Y270-L277 HydrophobicContact CD1-CD1 3.9Å; Y270-L277 HydrophobicContact CE1-CD1 3.57Å; Y270-L277 HydrophobicContact CE1-CD2 4.27Å; Y270-L277 HydrophobicContact CE1-CG 4.13Å; Y270-F285 HydrophobicContact CD1-CD1 4.38Å; Y270-F285 HydrophobicContact CE1-CD1 4.03Å; Y270-F285 AromaticContact CE1-CE1 3.99Å; Y270-F285 HydrophobicContact CE1-CE1 3.99Å; Y270-C288 HydrophobicContact CD1-CB 3.99Å; Y270-C288 HydrophobicContact CD2-CB 3.9Å; Y270-C288 HydrophobicContact CE1-CB 4.46Å; Y270-C288 WeakPolarHBondContact CE1-O 3.49Å; Y270-C288 HydrophobicContact CE2-CB 4.41Å; Y270-C288 HydrophobicContact CG-CB 3.7Å
271C98.4Very high95.2Very high2 Ų234.9 Ų34.91%0.01418%0.184CC..Hα-helixtrans-62.6-31.2176.5-70.80000112.9R172 V174 V231 T267 S268 V269 F285R172-C271 WeakPolarHBondContact CD-O 3.25Å; R172-C271 PolarHBondContact NH1-O 3.42Å; V174-C271 HydrophobicContact CG1-CB 4.14Å; V174-C271 HydrophobicContact CG2-CB 3.91Å; V231-C271 HydrophobicContact CG1-CB 3.94Å; V231-C271 WeakPolarHBondContact CG1-SG 3.36Å; T267-C271 PolarHBondContact O-N 2.69Å; S268-C271 PolarHBondContact O-N 3.34Å; V269-C271 PolarHBondContact O-N 2.81Å; C271-F285 VanDerWaalsContact SG-CD2 3.56Å
272A98.4Very high95.8Very high2 Ų233.7 Ų33.72%0.01718%0.178CC..Hα-helixtrans-74.2-32.9177.900000113.8L62 I124 I126 R172 V174 S268 V269 Y270L62-A272 HydrophobicContact CD1-CB 4.5Å; L62-A272 HydrophobicContact CD2-CB 4.23Å; I124-A272 HydrophobicContact CD1-CB 4.31Å; I124-A272 WeakPolarHBondContact CD1-O 3.46Å; I124-A272 HydrophobicContact CG2-CB 4.01Å; I126-A272 HydrophobicContact CD1-CB 4.29Å; R172-A272 VanDerWaalsContact CD-O 3.27Å; R172-A272 WeakPolarHBondContact CD-O 3.26Å; R172-A272 PolarHBondContact NH1-O 3.41Å; V174-A272 HydrophobicContact CG2-CB 4.31Å; S268-A272 VanDerWaalsContact O-CB 3.28Å; S268-A272 WeakPolarHBondContact O-CB 3.44Å; S268-A272 PolarHBondContact O-N 3.48Å; V269-A272 CarbonylContact O-C 3.53Å; V269-A272 WeakPolarHBondContact O-CA 3.44Å; V269-A272 WeakPolarHBondContact O-CB 3.38Å; V269-A272 PolarHBondContact O-N 3.4Å; Y270-A272 PolarHBondContact O-N 2.98Å
273V98Very high96.2Very high5 Ų534.9 Ų34.93%0.0318%0.18CC..Hα-helixtrans-125.6-21.5-167-47.20000115.8L40 L62 V269 Y270 E275L40-V273 HydrophobicContact CD1-CG1 3.88Å; L40-V273 HydrophobicContact CD2-CG1 4.41Å; L40-V273 HydrophobicContact CG-CG1 4.41Å; L62-V273 HydrophobicContact CD2-CG1 3.41Å; L62-V273 VanDerWaalsContact CD2-CG1 3.41Å; V269-V273 HydrophobicContact CG1-CG2 4.11Å; V269-V273 WeakPolarHBondContact O-CG2 3.48Å; V269-V273 PolarHBondContact O-N 2.93Å; Y270-V273 PolarHBondContact O-N 3.46Å; V273-E275 PolarHBondContact O-N 3.21Å
274A97.1Very high96.5Very high0 Ų033.7 Ų33.70%017%0.174CC..  trans-61.8124.1-173.300000111.6R172 Y270 E276 L277R172-A274 VanDerWaalsContact CZ-O 3.28Å; R172-A274 PolarHBondContact NH1-O 2.93Å; R172-A274 PolarHBondContact NH2-O 3.02Å; Y270-A274 HydrophobicContact CD2-CB 3.58Å; Y270-A274 HydrophobicContact CE1-CB 4.47Å; Y270-A274 HydrophobicContact CE2-CB 3.43Å; Y270-A274 VanDerWaalsContact CE2-CB 3.43Å; Y270-A274 HydrophobicContact CG-CB 4.15Å; Y270-A274 WeakPolarHBondContact O-CB 3.34Å; Y270-A274 PolarHBondContact O-N 3.25Å; A274-E276 VanDerWaalsContact C-N 3.33Å; A274-E276 WeakPolarHBondContact CB-OE2 3.15Å; A274-E276 PolarHBondContact O-N 3.05Å; A274-L277 HydrophobicContact CB-CD1 4.1Å; A274-L277 HydrophobicContact CB-CG 4Å; A274-L277 PolarHBondContact O-N 2.87Å
275E95.1Very high96.9Very high132 Ų13233.8 Ų33.862%0.61718%0.175SC*.G310 helixtrans-70.2-31.8-173.5-66.8179.211600111.5A38 V273 L277 H278A38-E275 HydrophobicContact CB-CG 4.24Å; V273-E275 PolarHBondContact O-N 3.21Å; E275-L277 PolarHBondContact O-N 3.31Å; E275-L277 VanDerWaalsContact O-N 3.12Å; E275-H278 WeakPolarHBondContact O-CB 3.25Å; E275-H278 PolarHBondContact O-N 3.49Å; E275-H278 PolarHBondContact O-ND1 2.85Å
276E95.4Very high96.9Very high107 Ų10734.9 Ų34.950%0.518%0.182SC..G310 helixtrans-63.4-17.5175.267.5-91.2-146.500113.2Y270 A274Y270-E276 WeakPolarHBondContact CE2-OE1 3.34Å; Y270-E276 WeakPolarHBondContact OH-CG 3.25Å; Y270-E276 PolarHBondContact OH-OE1 3.36Å; A274-E276 VanDerWaalsContact C-N 3.33Å; A274-E276 WeakPolarHBondContact CB-OE2 3.15Å; A274-E276 PolarHBondContact O-N 3.05Å
277L96Very high96.6Very high8 Ų837 Ų374%0.04219%0.194CC..G310 helixtrans-90.35.7176.7-58.1-173.2000113.7Y270 A274 E275 S279 V280 F285Y270-L277 HydrophobicContact CD1-CD1 3.9Å; Y270-L277 HydrophobicContact CE1-CD1 3.57Å; Y270-L277 HydrophobicContact CE1-CD2 4.27Å; Y270-L277 HydrophobicContact CE1-CG 4.13Å; A274-L277 HydrophobicContact CB-CD1 4.1Å; A274-L277 HydrophobicContact CB-CG 4Å; A274-L277 PolarHBondContact O-N 2.87Å; E275-L277 PolarHBondContact O-N 3.31Å; E275-L277 VanDerWaalsContact O-N 3.12Å; L277-S279 PolarHBondContact O-N 3.43Å; L277-V280 HydrophobicContact CB-CB 4.34Å; L277-V280 HydrophobicContact CD2-CB 3.97Å; L277-V280 HydrophobicContact CD2-CG1 4.23Å; L277-V280 HydrophobicContact CD2-CG2 3.96Å; L277-V280 PolarHBondContact O-N 3.2Å; L277-F285 HydrophobicContact CD1-CE1 4.32Å; L277-F285 HydrophobicContact CD1-CZ 4.16Å; L277-F285 HydrophobicContact CD2-CE1 3.95Å; L277-F285 HydrophobicContact CD2-CZ 3.72Å
278H91.8Very high96.6Very high115 Ų11537.8 Ų37.853%0.53220%0.199SC..THydrogen-bonded Turntrans-55.7-25.8-177.369-85.3000114M227 E275M227-H278 WeakPolarHBondContact CE-O 3.39Å; M227-H278 WeakPolarHBondContact CG-O 3.29Å; E275-H278 WeakPolarHBondContact O-CB 3.25Å; E275-H278 PolarHBondContact O-N 3.49Å; E275-H278 PolarHBondContact O-ND1 2.85Å
279S93.6Very high96.4Very high84 Ų8439.8 Ų39.859%0.58722%0.216SC*.THydrogen-bonded Turntrans-117.57.6178.351.50000113.4L277L277-S279 PolarHBondContact O-N 3.43Å
280V97.6Very high96.3Very high40 Ų4044.8 Ų44.824%0.24225%0.249CC..  trans-97.2118.6-177.4-177.80000109.9N229 L277 K283 F285N229-V280 PolarHBondContact ND2-O 3.37Å; L277-V280 HydrophobicContact CB-CB 4.34Å; L277-V280 HydrophobicContact CD2-CB 3.97Å; L277-V280 HydrophobicContact CD2-CG1 4.23Å; L277-V280 HydrophobicContact CD2-CG2 3.96Å; L277-V280 PolarHBondContact O-N 3.2Å; V280-K283 HydrophobicContact CG1-CB 4.22Å; V280-K283 HydrophobicContact CG1-CG 3.6Å; V280-F285 HydrophobicContact CG1-CE2 4.43Å; V280-F285 HydrophobicContact CG1-CZ 4.01Å
281S98.1Very high96.1Very high35 Ų3545.1 Ų45.125%0.24526%0.257CS..  trans-140.8153.5179.9-163.50000110.7A218 V228 N229 K283A218-S281 VanDerWaalsContact CB-OG 3.24Å; A218-S281 WeakPolarHBondContact CB-OG 3.31Å; V228-S281 PolarHBondContact N-OG 2.79Å; V228-S281 CarbonylContact O-C 3.53Å; V228-S281 PolarHBondContact O-OG 3.24Å; N229-S281 WeakPolarHBondContact OD1-CA 3.3Å; S281-K283 VanDerWaalsContact C-N 3.32Å; S281-K283 PolarHBondContact O-N 3.21Å
282G97.6Very high95.8Very high11 Ų1151.6 Ų51.611%0.11329%0.285CS..SBendtrans73.218.1179.800000114.7R215 A218 V228 N229R215-G282 PolarHBondContact NH1-O 3.32Å; A218-G282 VanDerWaalsContact CB-N 3.27Å; V228-G282 PolarHBondContact O-N 2.97Å; N229-G282 PolarHBondContact OD1-N 2.89Å
283K97.9Very high95.6Very high114 Ų11452.2 Ų52.250%0.49629%0.289SS..  trans-101.5163.2-179.9-57.7-59.1-176.9178.60111.8N229 S230 V280 S281 F285N229-K283 PolarHBondContact OD1-N 2.99Å; S230-K283 PolarHBondContact N-O 3.12Å; S230-K283 PolarHBondContact OG-O 3.45Å; V280-K283 HydrophobicContact CG1-CB 4.22Å; V280-K283 HydrophobicContact CG1-CG 3.6Å; S281-K283 VanDerWaalsContact C-N 3.32Å; S281-K283 PolarHBondContact O-N 3.21Å; K283-F285 HydrophobicContact CB-CD2 4.26Å; K283-F285 HydrophobicContact CB-CE2 3.55Å; K283-F285 HydrophobicContact CB-CZ 4.1Å
284H97.9Very high95.3Very high11 Ų1152.4 Ų52.45%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-115.2136.1174-172.465.3000109.1H181 S230 P290 A291 V293H181-H284 AromaticContact CE1-CD2 3.83Å; H181-H284 AromaticContact CE1-CE1 3.97Å; H181-H284 AromaticContact CE1-NE2 3.35Å; H181-H284 PolarHBondContact CE1-NE2 2.69Å; H181-H284 VanDerWaalsContact CE1-NE2 3.35Å; H181-H284 AromaticContact ND1-NE2 3.9Å; S230-H284 CarbonylContact O-C 3.57Å; S230-H284 VanDerWaalsContact O-CA 3.3Å; S230-H284 WeakPolarHBondContact O-CA 3.45Å; S230-H284 PolarHBondContact OG-ND1 3.31Å; H284-P290 WeakPolarHBondContact O-CA 3.41Å; H284-A291 PolarHBondContact O-N 2.94Å; H284-V293 HydrophobicContact CB-CG2 3.31Å
285F97.9Very high95.2Very high2 Ų256.6 Ų56.61%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-125.8147.9-175.8-68.7-100.1000112.5N229 S230 V231 H232 T267 Y270 C271 L277 V280 K283 A289 P290N229-F285 HydrophobicContact CB-CD2 4.1Å; N229-F285 HydrophobicContact CB-CE2 3.96Å; S230-F285 PolarHBondContact O-N 3.38Å; V231-F285 CarbonylContact C-O 3.58Å; V231-F285 VanDerWaalsContact CA-O 3.32Å; V231-F285 WeakPolarHBondContact CA-O 3.37Å; V231-F285 HydrophobicContact CG1-CB 4.37Å; H232-F285 PolarHBondContact N-O 3.38Å; T267-F285 HydrophobicContact CG2-CB 3.66Å; Y270-F285 HydrophobicContact CD1-CD1 4.38Å; Y270-F285 HydrophobicContact CE1-CD1 4.03Å; Y270-F285 AromaticContact CE1-CE1 3.99Å; Y270-F285 HydrophobicContact CE1-CE1 3.99Å; C271-F285 VanDerWaalsContact SG-CD2 3.56Å; L277-F285 HydrophobicContact CD1-CE1 4.32Å; L277-F285 HydrophobicContact CD1-CZ 4.16Å; L277-F285 HydrophobicContact CD2-CE1 3.95Å; L277-F285 HydrophobicContact CD2-CZ 3.72Å; V280-F285 HydrophobicContact CG1-CE2 4.43Å; V280-F285 HydrophobicContact CG1-CZ 4.01Å; K283-F285 HydrophobicContact CB-CD2 4.26Å; K283-F285 HydrophobicContact CB-CE2 3.55Å; K283-F285 HydrophobicContact CB-CZ 4.1Å; F285-A289 CarbonylContact C-O 3.21Å; F285-A289 WeakPolarHBondContact CA-O 3.19Å; F285-A289 WeakPolarHBondContact CD1-O 3.48Å; F285-P290 HydrophobicContact CD1-CG 4.46Å; F285-P290 HydrophobicContact CE1-CG 3.95Å
286S93.8Very high95.1Very high23 Ų2351.8 Ų51.816%0.16130%0.296CS..EExtended strand (participates in β ladder)trans-145.5144.9166.7-173.70000107.2C288 A289S286-C288 VanDerWaalsContact C-N 3.26Å; S286-C288 PolarHBondContact O-N 3.05Å; S286-A289 PolarHBondContact N-O 3.4Å; S286-A289 PolarHBondContact O-N 2.79Å
287D92.8Very high95.1Very high56 Ų5646.7 Ų46.730%0.29927%0.272SS..THydrogen-bonded Turntrans50.648.2178.4-60.7-62000112.4G31 A32 K259 T267 A289G31-D287 WeakPolarHBondContact CA-OD1 3.48Å; A32-D287 HydrophobicContact CB-CB 3.99Å; A32-D287 WeakPolarHBondContact CB-O 3.37Å; A32-D287 PolarHBondContact N-OD1 2.88Å; K259-D287 IonicContact NZ-OD1 3.51Å; K259-D287 PolarHBondContact NZ-OD1 3.1Å; K259-D287 IonicContact NZ-OD2 2.64Å; T267-D287 PolarHBondContact OG1-N 2.94Å; T267-D287 VanDerWaalsContact OG1-N 3.08Å; D287-A289 PolarHBondContact O-N 3.37Å
288C95.8Very high95Very high18 Ų1851.8 Ų51.812%0.12229%0.29CS..THydrogen-bonded Turntrans53.525.1-180-54.90000114.8A32 T267 Y270 S286A32-C288 HydrophobicContact CB-CB 4.27Å; T267-C288 PolarHBondContact OG1-N 2.9Å; Y270-C288 HydrophobicContact CD1-CB 3.99Å; Y270-C288 HydrophobicContact CD2-CB 3.9Å; Y270-C288 HydrophobicContact CE1-CB 4.46Å; Y270-C288 WeakPolarHBondContact CE1-O 3.49Å; Y270-C288 HydrophobicContact CE2-CB 4.41Å; Y270-C288 HydrophobicContact CG-CB 3.7Å; S286-C288 VanDerWaalsContact C-N 3.26Å; S286-C288 PolarHBondContact O-N 3.05Å
289A95.4Very high95.3Very high43 Ų4348 Ų4836%0.35528%0.277SS..EExtended strand (participates in β ladder)trans-141.5157.5179.500000111.6F285 S286 D287 A291F285-A289 CarbonylContact C-O 3.21Å; F285-A289 WeakPolarHBondContact CA-O 3.19Å; F285-A289 WeakPolarHBondContact CD1-O 3.48Å; S286-A289 PolarHBondContact N-O 3.4Å; S286-A289 PolarHBondContact O-N 2.79Å; D287-A289 PolarHBondContact O-N 3.37Å; A289-A291 PolarHBondContact O-N 3.26Å
290P96.1Very high95.4Very high105 Ų10550.6 Ų50.668%0.68228%0.28SS*.EExtended strand (participates in β ladder)trans-55.2131.5172.5-25.535.1000111.2H284 F285H284-P290 WeakPolarHBondContact O-CA 3.41Å; F285-P290 HydrophobicContact CD1-CG 4.46Å; F285-P290 HydrophobicContact CE1-CG 3.95Å
291A93.8Very high95.4Very high34 Ų3456.2 Ų56.228%0.28130%0.304SS..  trans-115159.3-174.800000112.3H284 A289H284-A291 PolarHBondContact O-N 2.94Å; A289-A291 PolarHBondContact O-N 3.26Å
292F92.2Very high95.4Very high139 Ų13956.2 Ų56.261%0.6130%0.302SS*.  trans-64.1142.6173.9178-95000111.3A294F292-A294 HydrophobicContact CE1-CB 4.24Å
293V94.1Very high95.4Very high15 Ų1556 Ų569%0.09130%0.299CS..  trans-129130.6172.2-1800000107.5V211 H284 R298V211-V293 HydrophobicContact CG1-CG1 3.9Å; V211-V293 HydrophobicContact CG1-CG2 4.47Å; H284-V293 HydrophobicContact CB-CG2 3.31Å; V293-R298 HydrophobicContact CB-CG 4.22Å; V293-R298 HydrophobicContact CG1-CG 4.06Å; V293-R298 PolarHBondContact O-NE 3.5Å; V293-R298 PolarHBondContact O-NH2 3.36Å
294A90.8Very high95.4Very high8 Ų852.4 Ų52.47%0.06629%0.288CS..  trans-61.4157.1176.100000112.2N182 F292 Q296 G297N182-A294 HydrophobicContact CB-CB 4.2Å; N182-A294 VanDerWaalsContact OD1-CB 3.32Å; N182-A294 WeakPolarHBondContact OD1-CB 3.49Å; N182-A294 PolarHBondContact OD1-N 2.89Å; F292-A294 HydrophobicContact CE1-CB 4.24Å; A294-Q296 VanDerWaalsContact C-N 3.25Å; A294-Q296 PolarHBondContact O-N 2.98Å; A294-Q296 VanDerWaalsContact O-N 3.16Å; A294-G297 PolarHBondContact O-N 2.8Å
295P96.1Very high95.5Very high89 Ų8956.8 Ų56.858%0.57831%0.307SS*.G310 helixtrans-52.3-39-175.8-28.936.5000114.4G297 R298 S299P295-G297 VanDerWaalsContact C-N 3.25Å; P295-G297 PolarHBondContact O-N 3.45Å; P295-R298 WeakPolarHBondContact O-CB 2.93Å; P295-R298 PolarHBondContact O-N 3.5Å; P295-S299 PolarHBondContact O-N 3.31Å
296Q93.3Very high95.5Very high31 Ų3156.9 Ų56.915%0.14531%0.308CS..G310 helixtrans-64.3-27.3178.167.6-84.727.800113.4N182 G184 W185 L208 A294 R298N182-Q296 PolarHBondContact O-NE2 2.91Å; G184-Q296 WeakPolarHBondContact O-CG 3.35Å; G184-Q296 PolarHBondContact O-NE2 3.45Å; W185-Q296 HydrophobicContact CZ3-CB 4.49Å; L208-Q296 HydrophobicContact CD1-CG 4.09Å; L208-Q296 HydrophobicContact CD2-CB 4.46Å; L208-Q296 HydrophobicContact CD2-CG 3.79Å; A294-Q296 VanDerWaalsContact C-N 3.25Å; A294-Q296 PolarHBondContact O-N 2.98Å; A294-Q296 VanDerWaalsContact O-N 3.16Å; Q296-R298 VanDerWaalsContact C-N 3.26Å; Q296-R298 PolarHBondContact O-N 2.93Å
297G93.8Very high95.7Very high0 Ų056 Ų560%030%0.301CS..G310 helixtrans-81.4-3.317300000114L208 R215 A294 P295L208-G297 VanDerWaalsContact CD1-CA 3.48Å; R215-G297 WeakPolarHBondContact CD-O 3.41Å; R215-G297 PolarHBondContact NE-O 3.08Å; A294-G297 PolarHBondContact O-N 2.8Å; P295-G297 VanDerWaalsContact C-N 3.25Å; P295-G297 PolarHBondContact O-N 3.45Å
298R95.2Very high96Very high114 Ų11457.3 Ų57.343%0.4331%0.308SS..THydrogen-bonded Turntrans-107.7-11178.6-68.5-179.3-98.7164.9-10113.5V293 P295 Q296 E300V293-R298 HydrophobicContact CB-CG 4.22Å; V293-R298 HydrophobicContact CG1-CG 4.06Å; V293-R298 PolarHBondContact O-NE 3.5Å; V293-R298 PolarHBondContact O-NH2 3.36Å; P295-R298 WeakPolarHBondContact O-CB 2.93Å; P295-R298 PolarHBondContact O-N 3.5Å; Q296-R298 VanDerWaalsContact C-N 3.26Å; Q296-R298 PolarHBondContact O-N 2.93Å; R298-E300 PolarHBondContact O-N 3.48Å
299S97Very high96.1Very high37 Ų3758 Ų5826%0.25931%0.312SS..  trans-66.3114.6-179.4174.30000111.5P295 T302 A303P295-S299 PolarHBondContact O-N 3.31Å; S299-T302 WeakPolarHBondContact CB-OG1 3.34Å; S299-T302 WeakPolarHBondContact OG-CB 3.2Å; S299-T302 PolarHBondContact OG-N 2.89Å; S299-T302 VanDerWaalsContact OG-N 3.09Å; S299-T302 PolarHBondContact OG-OG1 2.9Å; S299-A303 WeakPolarHBondContact O-CB 3.49Å; S299-A303 PolarHBondContact O-N 3.36Å; S299-A303 VanDerWaalsContact O-N 3.08Å
300E96.3Very high96.2Very high138 Ų13856 Ų5665%0.64530%0.295SS*.Hα-helixtrans-67.3-39.5175.2-65.1-174.8174.900111.6R298 T302 A303 S304R298-E300 PolarHBondContact O-N 3.48Å; E300-T302 PolarHBondContact O-N 3.3Å; E300-A303 PolarHBondContact O-N 2.9Å; E300-S304 PolarHBondContact O-N 3.49Å
301E97.8Very high96.4Very high158 Ų15851.7 Ų51.774%0.73827%0.267SS*.Hα-helixtrans-58.5-47.9175.2-175.4-170.716800111.5A303 S304 K305E301-A303 VanDerWaalsContact C-N 3.32Å; E301-A303 PolarHBondContact O-N 2.91Å; E301-S304 PolarHBondContact O-N 3.32Å; E301-K305 WeakPolarHBondContact O-CB 3.33Å; E301-K305 PolarHBondContact O-N 3.4Å
302T98Very high96.5Very high35 Ų3557.4 Ų57.422%0.21529%0.288CS..Hα-helixtrans-64.3-40178.1-55.70000111I186 F188 L212 S299 E300 L306I186-T302 HydrophobicContact CB-CG2 4.14Å; I186-T302 HydrophobicContact CG1-CG2 3.94Å; F188-T302 HydrophobicContact CE2-CG2 4.07Å; F188-T302 HydrophobicContact CZ-CG2 4.07Å; L212-T302 HydrophobicContact CD1-CG2 3.76Å; S299-T302 WeakPolarHBondContact CB-OG1 3.34Å; S299-T302 WeakPolarHBondContact OG-CB 3.2Å; S299-T302 PolarHBondContact OG-N 2.89Å; S299-T302 VanDerWaalsContact OG-N 3.09Å; S299-T302 PolarHBondContact OG-OG1 2.9Å; E300-T302 PolarHBondContact O-N 3.3Å; T302-L306 WeakPolarHBondContact O-CB 3.27Å; T302-L306 PolarHBondContact O-N 2.9Å
303A98.3Very high96.8Very high5 Ų553.3 Ų53.34%0.04127%0.272CS..Hα-helixtrans-64.5-46178.800000111.9L212 E216 S299 E300 E301 L306 W307L212-A303 HydrophobicContact CB-CB 4.13Å; L212-A303 HydrophobicContact CD2-CB 3.88Å; E216-A303 HydrophobicContact CB-CB 4.11Å; S299-A303 WeakPolarHBondContact O-CB 3.49Å; S299-A303 PolarHBondContact O-N 3.36Å; S299-A303 VanDerWaalsContact O-N 3.08Å; E300-A303 PolarHBondContact O-N 2.9Å; E301-A303 VanDerWaalsContact C-N 3.32Å; E301-A303 PolarHBondContact O-N 2.91Å; A303-L306 PolarHBondContact O-N 3.45Å; A303-W307 WeakPolarHBondContact O-CB 3.28Å; A303-W307 PolarHBondContact O-N 3.5Å
304S98.1Very high97Very high39 Ų3953.1 Ų53.127%0.27327%0.27SS..Hα-helixtrans-62.6-48.6176-168.10000111.2E300 E301 L306 W307 D308E300-S304 PolarHBondContact O-N 3.49Å; E301-S304 PolarHBondContact O-N 3.32Å; S304-L306 VanDerWaalsContact C-N 3.33Å; S304-L306 PolarHBondContact O-N 2.7Å; S304-W307 WeakPolarHBondContact O-CA 3.41Å; S304-W307 WeakPolarHBondContact O-CB 3.32Å; S304-W307 PolarHBondContact O-N 3.32Å; S304-D308 VanDerWaalsContact O-CG 3.29Å; S304-D308 PolarHBondContact O-N 2.97Å
305K98.3Very high97.3Very high104 Ų10456 Ų5645%0.45230%0.301SS..Hα-helixtrans-62.3-40.3179.2-172.6177.1178.7172.30112.4F188 E301 W307 D308 V309F188-K305 HydrophobicContact CD1-CD 4.09Å; F188-K305 HydrophobicContact CD1-CG 4.07Å; F188-K305 HydrophobicContact CD2-CD 4.02Å; F188-K305 HydrophobicContact CE1-CB 4.04Å; F188-K305 HydrophobicContact CE1-CD 3.91Å; F188-K305 HydrophobicContact CE1-CG 3.59Å; F188-K305 HydrophobicContact CE2-CD 3.83Å; F188-K305 HydrophobicContact CE2-CG 4.31Å; F188-K305 HydrophobicContact CG-CD 4.14Å; F188-K305 HydrophobicContact CZ-CB 3.8Å; F188-K305 HydrophobicContact CZ-CD 3.77Å; F188-K305 HydrophobicContact CZ-CG 3.73Å; E301-K305 WeakPolarHBondContact O-CB 3.33Å; E301-K305 PolarHBondContact O-N 3.4Å; K305-W307 VanDerWaalsContact C-N 3.29Å; K305-W307 PolarHBondContact O-N 2.9Å; K305-D308 PolarHBondContact O-N 2.9Å; K305-V309 VanDerWaalsContact O-CG2 3.31Å; K305-V309 WeakPolarHBondContact O-CG2 3.4Å; K305-V309 PolarHBondContact O-N 3.4Å
306L98.6Very high97.4Very high3 Ų352.7 Ų52.72%0.01628%0.278CS..Hα-helixtrans-64.9-36174.9177.863.7000111.7I186 F188 A209 L212 T302 A303 S304 S310I186-L306 HydrophobicContact CD1-CD2 4.1Å; I186-L306 HydrophobicContact CG1-CD2 4.35Å; I186-L306 HydrophobicContact CG2-CD1 4.09Å; F188-L306 HydrophobicContact CE1-CB 4.19Å; F188-L306 HydrophobicContact CZ-CB 4.26Å; A209-L306 HydrophobicContact CB-CD2 3.74Å; L212-L306 HydrophobicContact CB-CD2 4.08Å; L212-L306 HydrophobicContact CD1-CD2 3.99Å; T302-L306 WeakPolarHBondContact O-CB 3.27Å; T302-L306 PolarHBondContact O-N 2.9Å; A303-L306 PolarHBondContact O-N 3.45Å; S304-L306 VanDerWaalsContact C-N 3.33Å; S304-L306 PolarHBondContact O-N 2.7Å; L306-S310 VanDerWaalsContact O-CB 3.3Å; L306-S310 WeakPolarHBondContact O-CB 3.31Å; L306-S310 PolarHBondContact O-N 2.9Å; L306-S310 PolarHBondContact O-OG 3.25Å
307W98.6Very high97.4Very high6 Ų656.5 Ų56.52%0.02330%0.299CS..Hα-helixtrans-60.5-50.7174.6-168.8-81.3000111.7F155 F213 E216 L217 R220 A303 S304 K305 V309 S310 C311 W318F155-W307 AromaticContact CE2-CD2 3.67Å; F155-W307 HydrophobicContact CE2-CD2 3.67Å; F155-W307 AromaticContact CE2-CE3 3.57Å; F155-W307 HydrophobicContact CE2-CE3 3.57Å; F155-W307 HydrophobicContact CE2-CG 4.23Å; F155-W307 HydrophobicContact CE2-CH2 4.3Å; F155-W307 HydrophobicContact CE2-CZ2 4.38Å; F155-W307 AromaticContact CE2-CZ3 3.9Å; F155-W307 HydrophobicContact CE2-CZ3 3.9Å; F155-W307 AromaticContact CZ-CD2 3.74Å; F155-W307 HydrophobicContact CZ-CD2 3.74Å; F155-W307 AromaticContact CZ-CE2 3.71Å; F155-W307 HydrophobicContact CZ-CE3 4.11Å; F155-W307 HydrophobicContact CZ-CG 4.12Å; F155-W307 HydrophobicContact CZ-CH2 4.48Å; F155-W307 HydrophobicContact CZ-CZ2 4.14Å; F155-W307 HydrophobicContact CZ-CZ3 4.46Å; F155-W307 AromaticContact CZ-NE1 3.97Å; F213-W307 HydrophobicContact CD2-CE3 4.15Å; F213-W307 HydrophobicContact CD2-CH2 4.48Å; F213-W307 AromaticContact CD2-CZ3 3.63Å; F213-W307 HydrophobicContact CD2-CZ3 3.63Å; F213-W307 HydrophobicContact CE2-CH2 4.11Å; F213-W307 AromaticContact CE2-CZ3 3.7Å; F213-W307 HydrophobicContact CE2-CZ3 3.7Å; E216-W307 HydrophobicContact CB-CE3 3.75Å; E216-W307 HydrophobicContact CB-CZ3 4.07Å; E216-W307 HydrophobicContact CG-CB 4.11Å; E216-W307 HydrophobicContact CG-CD2 3.73Å; E216-W307 HydrophobicContact CG-CE3 3.28Å; E216-W307 HydrophobicContact CG-CG 4.12Å; E216-W307 HydrophobicContact CG-CZ3 3.86Å; L217-W307 HydrophobicContact CB-CH2 3.91Å; L217-W307 HydrophobicContact CB-CZ3 3.84Å; L217-W307 HydrophobicContact CD1-CH2 3.69Å; L217-W307 HydrophobicContact CD1-CZ3 4.46Å; L217-W307 HydrophobicContact CG-CH2 4.39Å; R220-W307 VanDerWaalsContact CD-CE2 3.48Å; R220-W307 VanDerWaalsContact CZ-NE1 3.31Å; R220-W307 VanDerWaalsContact NH2-CD1 3.32Å; A303-W307 WeakPolarHBondContact O-CB 3.28Å; A303-W307 PolarHBondContact O-N 3.5Å; S304-W307 WeakPolarHBondContact O-CA 3.41Å; S304-W307 WeakPolarHBondContact O-CB 3.32Å; S304-W307 PolarHBondContact O-N 3.32Å; K305-W307 VanDerWaalsContact C-N 3.29Å; K305-W307 PolarHBondContact O-N 2.9Å; W307-V309 PolarHBondContact O-N 3.31Å; W307-S310 WeakPolarHBondContact O-CB 3.36Å; W307-S310 PolarHBondContact O-N 2.92Å; W307-S310 VanDerWaalsContact O-N 3.11Å; W307-C311 PolarHBondContact O-N 2.89Å; W307-C311 PolarHBondContact O-SG 3.18Å; W307-W318 AromaticContact CE2-CD2 3.99Å; W307-W318 HydrophobicContact CH2-CD2 4.15Å; W307-W318 HydrophobicContact CH2-CE3 4.2Å; W307-W318 HydrophobicContact CH2-CH2 4.09Å; W307-W318 HydrophobicContact CH2-CZ2 4.02Å; W307-W318 HydrophobicContact CH2-CZ3 4.14Å; W307-W318 HydrophobicContact CZ2-CB 4.47Å; W307-W318 AromaticContact CZ2-CD1 3.9Å; W307-W318 AromaticContact CZ2-CD2 3.28Å; W307-W318 HydrophobicContact CZ2-CD2 3.28Å; W307-W318 AromaticContact CZ2-CE2 3.45Å; W307-W318 VanDerWaalsContact CZ2-CE2 3.45Å; W307-W318 AromaticContact CZ2-CE3 3.54Å; W307-W318 HydrophobicContact CZ2-CE3 3.54Å; W307-W318 AromaticContact CZ2-CG 3.65Å; W307-W318 HydrophobicContact CZ2-CG 3.65Å; W307-W318 HydrophobicContact CZ2-CH2 4.17Å; W307-W318 AromaticContact CZ2-CZ2 3.93Å; W307-W318 HydrophobicContact CZ2-CZ2 3.93Å; W307-W318 AromaticContact CZ2-CZ3 3.96Å; W307-W318 HydrophobicContact CZ2-CZ3 3.96Å; W307-W318 AromaticContact CZ2-NE1 3.78Å; W307-W318 AromaticContact NE1-CG 3.82Å
308D98.1Very high97Very high83 Ų8357.2 Ų57.244%0.44430%0.302SS..Hα-helixtrans-63.1-45.7-177.7-57.6-26.4000110.7S304 K305 S310 C311 E312S304-D308 VanDerWaalsContact O-CG 3.29Å; S304-D308 PolarHBondContact O-N 2.97Å; K305-D308 PolarHBondContact O-N 2.9Å; D308-S310 VanDerWaalsContact C-N 3.3Å; D308-S310 PolarHBondContact O-N 3.34Å; D308-C311 WeakPolarHBondContact O-CB 3.35Å; D308-C311 PolarHBondContact O-N 3.47Å; D308-C311 VanDerWaalsContact O-N 3.16Å; D308-E312 PolarHBondContact O-N 3.39Å
309V98.2Very high95.4Very high33 Ų3360.8 Ų60.820%0.233%0.329CS..Hα-helixtrans-62-37.4174.4171.40000111.6F188 L191 K305 W307 C311 E312 L313F188-V309 HydrophobicContact CD1-CG2 4.19Å; F188-V309 HydrophobicContact CE1-CG2 4.4Å; L191-V309 HydrophobicContact CD2-CG1 4.05Å; K305-V309 VanDerWaalsContact O-CG2 3.31Å; K305-V309 WeakPolarHBondContact O-CG2 3.4Å; K305-V309 PolarHBondContact O-N 3.4Å; W307-V309 PolarHBondContact O-N 3.31Å; V309-C311 VanDerWaalsContact C-N 3.35Å; V309-E312 PolarHBondContact O-N 2.99Å; V309-L313 HydrophobicContact CG1-CD1 3.84Å; V309-L313 HydrophobicContact CG1-CG 4.25Å; V309-L313 WeakPolarHBondContact O-CB 3.46Å; V309-L313 WeakPolarHBondContact O-CG 3.32Å; V309-L313 PolarHBondContact O-N 3.44Å
310S98.6Very high95.4Very high0 Ų062 Ų620%033%0.333CS..Hα-helixtrans-66-39.9176.4-57.70000111.1H151 L306 W307 D308 L314H151-S310 PolarHBondContact NE2-OG 2.9Å; L306-S310 VanDerWaalsContact O-CB 3.3Å; L306-S310 WeakPolarHBondContact O-CB 3.31Å; L306-S310 PolarHBondContact O-N 2.9Å; L306-S310 PolarHBondContact O-OG 3.25Å; W307-S310 WeakPolarHBondContact O-CB 3.36Å; W307-S310 PolarHBondContact O-N 2.92Å; W307-S310 VanDerWaalsContact O-N 3.11Å; D308-S310 VanDerWaalsContact C-N 3.3Å; D308-S310 PolarHBondContact O-N 3.34Å; S310-L314 VanDerWaalsContact O-CB 3.31Å; S310-L314 WeakPolarHBondContact O-CB 3.46Å; S310-L314 WeakPolarHBondContact O-CD1 3.37Å; S310-L314 VanDerWaalsContact O-CG 3.24Å; S310-L314 WeakPolarHBondContact O-CG 3.48Å; S310-L314 PolarHBondContact O-N 3.2Å; S310-L314 VanDerWaalsContact O-N 3.14Å
311C98.4Very high95.3Very high14 Ų1457.9 Ų57.910%0.09532%0.317CS..Hα-helixtrans-64.1-45.5175.6-65.20000111.5W307 D308 V309 L314 G315 I316W307-C311 PolarHBondContact O-N 2.89Å; W307-C311 PolarHBondContact O-SG 3.18Å; D308-C311 WeakPolarHBondContact O-CB 3.35Å; D308-C311 PolarHBondContact O-N 3.47Å; D308-C311 VanDerWaalsContact O-N 3.16Å; V309-C311 VanDerWaalsContact C-N 3.35Å; C311-L314 CarbonylContact O-C 3.59Å; C311-L314 PolarHBondContact O-N 3.42Å; C311-G315 PolarHBondContact O-N 3.15Å; C311-I316 HydrophobicContact CB-CG1 4.28Å; C311-I316 WeakPolarHBondContact CB-O 3.47Å; C311-I316 PolarHBondContact O-N 2.89Å
312E97.9Very high95.2Very high154 Ų15452.4 Ų52.472%0.7229%0.293SS*.Hα-helixtrans-58.9-51.9176.4-176-175.5173.600111.6D308 V309 L314 G315D308-E312 PolarHBondContact O-N 3.39Å; V309-E312 PolarHBondContact O-N 2.99Å; E312-L314 PolarHBondContact O-N 3.3Å; E312-G315 PolarHBondContact O-N 3.48Å; E312-G315 VanDerWaalsContact O-N 3.12Å
313L97.9Very high95Very high53 Ų5353.4 Ų53.428%0.27730%0.298SS..Hα-helixtrans-60.3-32.9-179.9-72.6172.1000112.7F143 L152 L191 V309F143-L313 HydrophobicContact CE1-CB 4.08Å; F143-L313 HydrophobicContact CE1-CD2 4.15Å; F143-L313 HydrophobicContact CZ-CB 4.26Å; F143-L313 WeakPolarHBondContact CZ-O 3.26Å; L152-L313 HydrophobicContact CD1-CD1 4.18Å; L152-L313 HydrophobicContact CD2-CD1 4.39Å; L191-L313 HydrophobicContact CD2-CD1 3.74Å; V309-L313 HydrophobicContact CG1-CD1 3.84Å; V309-L313 HydrophobicContact CG1-CG 4.25Å; V309-L313 WeakPolarHBondContact O-CB 3.46Å; V309-L313 WeakPolarHBondContact O-CG 3.32Å; V309-L313 PolarHBondContact O-N 3.44Å
314L98.3Very high94.8Very high12 Ų1256.4 Ų56.46%0.06331%0.314CS..Hα-helixtrans-92.4-4.7-178.4-68169.1000113.4T105 R109 F143 L152 F155 L156 S310 C311 E312 I316T105-L314 HydrophobicContact CG2-CD2 3.89Å; R109-L314 PolarHBondContact NH2-O 3.1Å; F143-L314 HydrophobicContact CE2-CD2 4.15Å; L152-L314 HydrophobicContact CB-CD2 4.39Å; L152-L314 HydrophobicContact CD2-CD1 4.29Å; L152-L314 HydrophobicContact CD2-CG 4.44Å; F155-L314 HydrophobicContact CB-CD1 4.23Å; F155-L314 HydrophobicContact CD1-CD1 3.56Å; F155-L314 HydrophobicContact CE1-CD1 4.36Å; F155-L314 HydrophobicContact CG-CD1 4.24Å; L156-L314 HydrophobicContact CB-CD1 3.99Å; L156-L314 HydrophobicContact CB-CD2 4.21Å; L156-L314 HydrophobicContact CD2-CD2 4.28Å; S310-L314 VanDerWaalsContact O-CB 3.31Å; S310-L314 WeakPolarHBondContact O-CB 3.46Å; S310-L314 WeakPolarHBondContact O-CD1 3.37Å; S310-L314 VanDerWaalsContact O-CG 3.24Å; S310-L314 WeakPolarHBondContact O-CG 3.48Å; S310-L314 PolarHBondContact O-N 3.2Å; S310-L314 VanDerWaalsContact O-N 3.14Å; C311-L314 CarbonylContact O-C 3.59Å; C311-L314 PolarHBondContact O-N 3.42Å; E312-L314 PolarHBondContact O-N 3.3Å; L314-I316 VanDerWaalsContact C-N 3.31Å; L314-I316 HydrophobicContact CB-CD1 4.1Å; L314-I316 HydrophobicContact CB-CG1 3.95Å; L314-I316 HydrophobicContact CB-CG2 4.45Å; L314-I316 HydrophobicContact CD1-CD1 4.15Å; L314-I316 PolarHBondContact O-N 3.21Å
315G97.5Very high94.6Very high68 Ų6857.6 Ų57.670%0.70132%0.317SS*.THydrogen-bonded Turntrans56.443.7-175.600000112.5C311 E312C311-G315 PolarHBondContact O-N 3.15Å; E312-G315 PolarHBondContact O-N 3.48Å; E312-G315 VanDerWaalsContact O-N 3.12Å
316I97.4Very high94.3Very high20 Ų2054.3 Ų54.310%0.10331%0.307CS..  trans-123.3154.917960.2177.4000110.9F155 L156 Y159 C311 L314F155-I316 HydrophobicContact CD1-CD1 3.97Å; F155-I316 HydrophobicContact CE1-CD1 3.72Å; L156-I316 HydrophobicContact CD1-CD1 4.26Å; L156-I316 HydrophobicContact CD1-CG2 3.97Å; Y159-I316 HydrophobicContact CD1-CB 4.17Å; Y159-I316 HydrophobicContact CD1-CD1 3.73Å; Y159-I316 HydrophobicContact CD1-CG2 4.02Å; Y159-I316 HydrophobicContact CD2-CD1 4.21Å; Y159-I316 HydrophobicContact CE1-CB 3.77Å; Y159-I316 HydrophobicContact CE1-CD1 4.2Å; Y159-I316 HydrophobicContact CE1-CG2 3.73Å; Y159-I316 HydrophobicContact CG-CD1 3.72Å; C311-I316 HydrophobicContact CB-CG1 4.28Å; C311-I316 WeakPolarHBondContact CB-O 3.47Å; C311-I316 PolarHBondContact O-N 2.89Å; L314-I316 VanDerWaalsContact C-N 3.31Å; L314-I316 HydrophobicContact CB-CD1 4.1Å; L314-I316 HydrophobicContact CB-CG1 3.95Å; L314-I316 HydrophobicContact CB-CG2 4.45Å; L314-I316 HydrophobicContact CD1-CD1 4.15Å; L314-I316 PolarHBondContact O-N 3.21Å
317D93.6Very high94Very high111 Ų11158.2 Ų58.259%0.59433%0.329SS*.  trans-115126.8174.5-159.3-7.6000110.1Y159Y159-D317 WeakPolarHBondContact CE2-O 3.29Å; Y159-D317 VanDerWaalsContact CZ-O 3.24Å; Y159-D317 PolarHBondContact OH-O 3.49Å
318W84Confident93.6Very high15 Ų1562.6 Ų62.66%0.05736%0.355CS..  trans-117.882.7-176-161.6-44.4000110.2F155 T158 Y159 I162 L217 R220 W307F155-W318 HydrophobicContact CD1-CZ3 4.32Å; F155-W318 AromaticContact CE1-CE3 3.72Å; F155-W318 HydrophobicContact CE1-CE3 3.72Å; F155-W318 AromaticContact CE1-CZ3 3.92Å; F155-W318 HydrophobicContact CE1-CZ3 3.92Å; F155-W318 AromaticContact CZ-CE3 3.84Å; F155-W318 HydrophobicContact CZ-CE3 3.84Å; F155-W318 HydrophobicContact CZ-CZ3 4.09Å; T158-W318 HydrophobicContact CG2-CH2 4.39Å; Y159-W318 VanDerWaalsContact CA-CH2 3.41Å; Y159-W318 HydrophobicContact CD2-CB 4.44Å; Y159-W318 AromaticContact CD2-CD2 3.58Å; Y159-W318 HydrophobicContact CD2-CD2 3.58Å; Y159-W318 AromaticContact CD2-CE3 3.3Å; Y159-W318 HydrophobicContact CD2-CE3 3.3Å; Y159-W318 HydrophobicContact CD2-CG 4.15Å; Y159-W318 HydrophobicContact CD2-CH2 4.32Å; Y159-W318 AromaticContact CD2-CZ3 3.73Å; Y159-W318 HydrophobicContact CD2-CZ3 3.73Å; Y159-W318 HydrophobicContact CE2-CB 4.28Å; Y159-W318 HydrophobicContact CE2-CD2 4.21Å; Y159-W318 HydrophobicContact CE2-CE3 4.23Å; Y159-W318 HydrophobicContact CE2-CG 4.31Å; Y159-W318 AromaticContact CG-CE3 3.91Å; Y159-W318 HydrophobicContact CG-CE3 3.91Å; Y159-W318 AromaticContact CG-CZ3 3.98Å; Y159-W318 HydrophobicContact CG-CZ3 3.98Å; I162-W318 HydrophobicContact CB-CZ2 4.29Å; I162-W318 HydrophobicContact CD1-CZ2 4.36Å; I162-W318 HydrophobicContact CG1-CZ2 4Å; I162-W318 HydrophobicContact CG2-CZ2 4.5Å; L217-W318 HydrophobicContact CD1-CH2 3.82Å; L217-W318 HydrophobicContact CD1-CZ2 3.51Å; R220-W318 PolarHBondContact NH1-O 3.33Å; W307-W318 AromaticContact CE2-CD2 3.99Å; W307-W318 HydrophobicContact CH2-CD2 4.15Å; W307-W318 HydrophobicContact CH2-CE3 4.2Å; W307-W318 HydrophobicContact CH2-CH2 4.09Å; W307-W318 HydrophobicContact CH2-CZ2 4.02Å; W307-W318 HydrophobicContact CH2-CZ3 4.14Å; W307-W318 HydrophobicContact CZ2-CB 4.47Å; W307-W318 AromaticContact CZ2-CD1 3.9Å; W307-W318 AromaticContact CZ2-CD2 3.28Å; W307-W318 HydrophobicContact CZ2-CD2 3.28Å; W307-W318 AromaticContact CZ2-CE2 3.45Å; W307-W318 VanDerWaalsContact CZ2-CE2 3.45Å; W307-W318 AromaticContact CZ2-CE3 3.54Å; W307-W318 HydrophobicContact CZ2-CE3 3.54Å; W307-W318 AromaticContact CZ2-CG 3.65Å; W307-W318 HydrophobicContact CZ2-CG 3.65Å; W307-W318 HydrophobicContact CZ2-CH2 4.17Å; W307-W318 AromaticContact CZ2-CZ2 3.93Å; W307-W318 HydrophobicContact CZ2-CZ2 3.93Å; W307-W318 AromaticContact CZ2-CZ3 3.96Å; W307-W318 HydrophobicContact CZ2-CZ3 3.96Å; W307-W318 AromaticContact CZ2-NE1 3.78Å; W307-W318 AromaticContact NE1-CG 3.82Å
319D63.1Low93.2Very high188 Ų18860.7 Ų60.7100%1.00535%0.347SS*.  trans-67.90166.5-66.6-39.4000112.7

Retrieved 319 of 319 residues in 591.4 ms (Link to these results)

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