A0A077YVF6_TRITR Loading...

ADP ribosylation factor protein 8B

AlphaFold DB , UniProt , Accession A0A077YVF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M63.5Low75.8Confident197 Ų197117.4 Ų117.497%0.9758%0.581SS**  0-52.50-150.7174.4-79.500111.9A3 L4 I5M1-A3 PolarHBondContact O-N 3.18Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.11Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-I5 HydrophobicContact CG-CD1 4.47Å; M1-I5 PolarHBondContact O-N 3.33Å
2L76.5Confident75.2Confident136 Ų136112.9 Ų112.971%0.71256%0.56SS**Hα-helixtrans-53.8-42.4175.9-82.1135.6000114.9L4 I5 N6L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 2.76Å; L2-I5 PolarHBondContact O-N 3.48Å; L2-N6 PolarHBondContact O-N 3.31Å
3A81.7Confident74.4Confident70 Ų70115.8 Ų115.858%0.57956%0.561SS**Hα-helixtrans-63.6-33178.100000113.5M1 R7M1-A3 PolarHBondContact O-N 3.18Å; A3-R7 WeakPolarHBondContact O-CB 3.21Å; A3-R7 WeakPolarHBondContact O-CG 3.32Å; A3-R7 PolarHBondContact O-N 2.79Å
4L79.8Confident73.7Confident113 Ų113115 Ų11559%0.59256%0.561SS**Hα-helixtrans-72.3-42.5176.9-176.267.7000110.5M1 L2 R7 I8M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.11Å; M1-L4 VanDerWaalsContact O-N 3.11Å; L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 2.76Å; L4-R7 PolarHBondContact O-N 3.45Å; L4-I8 HydrophobicContact CG-CD1 4.11Å; L4-I8 WeakPolarHBondContact O-CG1 3.43Å; L4-I8 PolarHBondContact O-N 2.92Å
5I85.9Confident72.9Confident86 Ų86114.1 Ų114.144%0.44156%0.558SS.*Hα-helixtrans-62.2-46.2175.6-66.7164.3000110.4M1 L2 R7 I8 L9M1-I5 HydrophobicContact CG-CD1 4.47Å; M1-I5 PolarHBondContact O-N 3.33Å; L2-I5 PolarHBondContact O-N 3.48Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 3.15Å; I5-I8 PolarHBondContact O-N 3.41Å; I5-I8 VanDerWaalsContact O-N 3.15Å; I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.18Å; I5-L9 WeakPolarHBondContact O-CB 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.39Å; I5-L9 PolarHBondContact O-N 3.31Å
6N78.2Confident72.1Confident84 Ų84117.1 Ų117.145%0.44957%0.568SS.*Hα-helixtrans-60.4-42.4176.7-72-9.2000111.5L2 I8 L9 D10L2-N6 PolarHBondContact O-N 3.31Å; N6-I8 PolarHBondContact O-N 3.06Å; N6-L9 PolarHBondContact O-N 2.88Å; N6-D10 WeakPolarHBondContact O-CB 3.29Å; N6-D10 PolarHBondContact O-N 2.75Å
7R74.4Confident71.6Confident192 Ų192120.7 Ų120.773%0.72557%0.574SS**Hα-helixtrans-62.4-40174.2-77180179.8-171.70.5113.1A3 L4 I5 W11A3-R7 WeakPolarHBondContact O-CB 3.21Å; A3-R7 WeakPolarHBondContact O-CG 3.32Å; A3-R7 PolarHBondContact O-N 2.79Å; L4-R7 PolarHBondContact O-N 3.45Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 3.15Å; R7-W11 WeakPolarHBondContact O-CB 3.36Å; R7-W11 PolarHBondContact O-N 2.99Å
8I77.5Confident71.3Confident81 Ų81121.6 Ų121.642%0.41558%0.576SS.*Hα-helixtrans-68.6-41.3176.7-69.3168.2000110.5L4 I5 N6 W11 I12L4-I8 HydrophobicContact CG-CD1 4.11Å; L4-I8 WeakPolarHBondContact O-CG1 3.43Å; L4-I8 PolarHBondContact O-N 2.92Å; I5-I8 PolarHBondContact O-N 3.41Å; I5-I8 VanDerWaalsContact O-N 3.15Å; N6-I8 PolarHBondContact O-N 3.06Å; I8-W11 PolarHBondContact O-N 3.18Å; I8-I12 HydrophobicContact CG2-CD1 3.82Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 WeakPolarHBondContact O-CB 3.25Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.32Å; I8-I12 PolarHBondContact O-N 3.19Å
9L74.2Confident71.7Confident86 Ų86117.9 Ų117.945%0.4556%0.558SS.*Hα-helixtrans-66.3-40.7176.4-72174.5000111.8I5 N6 W11 I12 R13I5-L9 HydrophobicContact CG2-CD1 3.81Å; I5-L9 HydrophobicContact CG2-CG 4.18Å; I5-L9 WeakPolarHBondContact O-CB 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.39Å; I5-L9 PolarHBondContact O-N 3.31Å; N6-L9 PolarHBondContact O-N 2.88Å; L9-W11 VanDerWaalsContact C-N 3.32Å; L9-I12 PolarHBondContact O-N 3.28Å; L9-R13 WeakPolarHBondContact O-CB 3.33Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.19Å; L9-R13 PolarHBondContact O-N 3.35Å
10D71.6Confident72.4Confident82 Ų82119.3 Ų119.344%0.43956%0.564SS.*Hα-helixtrans-66-37.8173.8-69.2-23.5000110.7N6 R13 N14N6-D10 WeakPolarHBondContact O-CB 3.29Å; N6-D10 PolarHBondContact O-N 2.75Å; D10-R13 PolarHBondContact O-N 3.27Å; D10-N14 VanDerWaalsContact O-CB 3.32Å; D10-N14 WeakPolarHBondContact O-CB 3.19Å; D10-N14 PolarHBondContact O-N 3.38Å; D10-N14 PolarHBondContact O-ND2 3.39Å; D10-N14 PolarHBondContact O-OD1 3.04Å
11W70.4Confident73.3Confident164 Ų164113.7 Ų113.762%0.62154%0.538SS*.Hα-helixtrans-65.9-47.9174.1175.873.8000112.3R7 I8 L9 R13 N14 L15R7-W11 WeakPolarHBondContact O-CB 3.36Å; R7-W11 PolarHBondContact O-N 2.99Å; I8-W11 PolarHBondContact O-N 3.18Å; L9-W11 VanDerWaalsContact C-N 3.32Å; W11-R13 VanDerWaalsContact C-N 3.32Å; W11-R13 PolarHBondContact O-N 3.45Å; W11-N14 PolarHBondContact O-N 3.24Å; W11-L15 HydrophobicContact CD2-CD1 3.66Å; W11-L15 HydrophobicContact CE3-CD1 3.91Å; W11-L15 HydrophobicContact CG-CD1 4.36Å; W11-L15 HydrophobicContact CH2-CD1 3.63Å; W11-L15 HydrophobicContact CZ2-CD1 3.38Å; W11-L15 HydrophobicContact CZ3-CD1 3.89Å; W11-L15 WeakPolarHBondContact O-CB 3.32Å; W11-L15 PolarHBondContact O-N 2.78Å
12I68Low74.8Confident64 Ų64107.2 Ų107.233%0.32851%0.505SS..Hα-helixtrans-59.2-45.6173.3-73173.3000109.5I8 L9 N14 L15 F16I8-I12 HydrophobicContact CG2-CD1 3.82Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 WeakPolarHBondContact O-CB 3.25Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.32Å; I8-I12 PolarHBondContact O-N 3.19Å; L9-I12 PolarHBondContact O-N 3.28Å; I12-N14 PolarHBondContact O-N 3.5Å; I12-L15 WeakPolarHBondContact O-CB 3.37Å; I12-L15 PolarHBondContact O-N 2.8Å; I12-F16 HydrophobicContact CG2-CD2 3.64Å; I12-F16 HydrophobicContact CG2-CE2 3.82Å; I12-F16 WeakPolarHBondContact O-CD2 3.49Å; I12-F16 PolarHBondContact O-N 3.31Å
13R65.1Low75.8Confident150 Ų150100.8 Ų100.857%0.56647%0.471SS*.Hα-helixtrans-58.5-51.1175.6-84.8-178.5146.8157-4.1110.6L9 D10 W11 L15 F16 W17L9-R13 WeakPolarHBondContact O-CB 3.33Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.19Å; L9-R13 PolarHBondContact O-N 3.35Å; D10-R13 PolarHBondContact O-N 3.27Å; W11-R13 VanDerWaalsContact C-N 3.32Å; W11-R13 PolarHBondContact O-N 3.45Å; R13-L15 PolarHBondContact O-N 3.48Å; R13-F16 PolarHBondContact O-N 2.87Å; R13-W17 WeakPolarHBondContact O-CB 3.23Å; R13-W17 PolarHBondContact O-N 3.48Å
14N65Low76.6Confident105 Ų10597.4 Ų97.456%0.56144%0.444SS*.Hα-helixtrans-64-25.1-179.9-66.2-15.8000113D10 W11 I12D10-N14 VanDerWaalsContact O-CB 3.32Å; D10-N14 WeakPolarHBondContact O-CB 3.19Å; D10-N14 PolarHBondContact O-N 3.38Å; D10-N14 PolarHBondContact O-ND2 3.39Å; D10-N14 PolarHBondContact O-OD1 3.04Å; W11-N14 PolarHBondContact O-N 3.24Å; I12-N14 PolarHBondContact O-N 3.5Å
15L61.1Low77.5Confident101 Ų10192 Ų9253%0.52942%0.415SS..Hα-helixtrans-71.6-40.4171.6-89.1160.3000112.9W11 I12 R13W11-L15 HydrophobicContact CD2-CD1 3.66Å; W11-L15 HydrophobicContact CE3-CD1 3.91Å; W11-L15 HydrophobicContact CG-CD1 4.36Å; W11-L15 HydrophobicContact CH2-CD1 3.63Å; W11-L15 HydrophobicContact CZ2-CD1 3.38Å; W11-L15 HydrophobicContact CZ3-CD1 3.89Å; W11-L15 WeakPolarHBondContact O-CB 3.32Å; W11-L15 PolarHBondContact O-N 2.78Å; I12-L15 WeakPolarHBondContact O-CB 3.37Å; I12-L15 PolarHBondContact O-N 2.8Å; R13-L15 PolarHBondContact O-N 3.48Å
16F60.2Low78.1Confident162 Ų16288 Ų8871%0.71139%0.394SS*.Hα-helixtrans-92.2-32.2-175.2-76-71.5000114I12 R13 K18I12-F16 HydrophobicContact CG2-CD2 3.64Å; I12-F16 HydrophobicContact CG2-CE2 3.82Å; I12-F16 WeakPolarHBondContact O-CD2 3.49Å; I12-F16 PolarHBondContact O-N 3.31Å; R13-F16 PolarHBondContact O-N 2.87Å; F16-K18 PolarHBondContact O-N 2.8Å
17W63.9Low79Confident179 Ų17984 Ų8468%0.67837%0.373SS*.  trans-93.294.2-179.2-58.698.6000109.2R13R13-W17 WeakPolarHBondContact O-CB 3.23Å; R13-W17 PolarHBondContact O-N 3.48Å
18K66.4Low80.2Confident137 Ų13775.2 Ų75.260%0.59634%0.341SS*.PPolyproline II helixtrans-72.2125.6161.1-69-179179.7178.50107.8F16 N64F16-K18 PolarHBondContact O-N 2.8Å; K18-N64 CarbonylContact C-O 3.52Å; K18-N64 VanDerWaalsContact CA-O 3.23Å; K18-N64 WeakPolarHBondContact CA-O 3.48Å
19E78.8Confident81Confident52 Ų5275.3 Ų75.324%0.24334%0.339CS..EExtended strand (participates in β ladder)trans-71.6131.8173.7-65.6-177.4-17900108.5N64 V65 T66 S181 K182E19-N64 PolarHBondContact N-O 2.88Å; E19-V65 HydrophobicContact CB-CG1 4.49Å; E19-V65 HydrophobicContact CB-CG2 4.25Å; E19-V65 CarbonylContact O-C 3.53Å; E19-V65 VanDerWaalsContact O-CA 3.32Å; E19-V65 WeakPolarHBondContact O-CA 3.22Å; E19-T66 PolarHBondContact O-N 3.47Å; E19-S181 WeakPolarHBondContact OE2-CB 3.35Å; E19-S181 PolarHBondContact OE2-OG 3.48Å; E19-K182 WeakPolarHBondContact OE1-CE 3.34Å
20E84.9Confident82Confident145 Ų14576.2 Ų76.268%0.67835%0.345SS*.EExtended strand (participates in β ladder)trans-102.7131.2171.8-64.5-162.6154.300109.1T66E20-T66 WeakPolarHBondContact CA-O 3.44Å
21M91.7Very high83.2Confident2 Ų272.4 Ų72.41%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-122.9128177.3-173.8-170-167.300108.5L23 V65 T66 I67 K68 N90 L177 H180M21-L23 HydrophobicContact CE-CD1 4.07Å; M21-L23 HydrophobicContact CE-CD2 3.36Å; M21-L23 HydrophobicContact CE-CG 3.87Å; M21-L23 HydrophobicContact CG-CD2 4.42Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.89Å; M21-L23 HydrophobicContact SD-CD2 4.14Å; M21-L23 HydrophobicContact SD-CG 3.96Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; M21-T66 PolarHBondContact N-O 3.33Å; M21-I67 CarbonylContact O-C 3.47Å; M21-I67 WeakPolarHBondContact O-CA 3.42Å; M21-K68 PolarHBondContact O-N 2.93Å; M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.89Å; M21-N90 HydrophobicContact CG-CB 3.83Å; M21-L177 HydrophobicContact CE-CB 4.15Å; M21-L177 HydrophobicContact CE-CD2 4.38Å; M21-L177 WeakPolarHBondContact CE-O 3.38Å; M21-L177 HydrophobicContact SD-CB 4.37Å; M21-L177 VanDerWaalsContact SD-O 3.42Å; M21-H180 HydrophobicContact CE-CB 3.95Å
22E95.4Very high84.5Confident60 Ų6065.1 Ų65.128%0.2830%0.3SS..EExtended strand (participates in β ladder)trans-105.2129.3173.9-167.3153.6-176.700109.9K68 W70 V89 N90E22-K68 WeakPolarHBondContact CA-O 3.42Å; E22-K68 HydrophobicContact CG-CD 4.2Å; E22-K68 HydrophobicContact CG-CG 4.49Å; E22-K68 WeakPolarHBondContact OE1-CE 3.38Å; E22-K68 IonicContact OE1-NZ 2.74Å; E22-K68 PolarHBondContact OE1-NZ 2.9Å; E22-K68 IonicContact OE2-NZ 3.01Å; E22-K68 PolarHBondContact OE2-NZ 2.97Å; E22-W70 PolarHBondContact OE1-NE1 2.89Å; E22-V89 HydrophobicContact CG-CG1 4.33Å; E22-N90 PolarHBondContact N-OD1 3.47Å; E22-N90 WeakPolarHBondContact O-CB 3.32Å; E22-N90 PolarHBondContact O-N 3.23Å; E22-N90 PolarHBondContact O-OD1 3.05Å
23L97.3Very high85.9Confident1 Ų162.7 Ų62.71%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-132.4146.6-176.3-70.9178.6000109.4M21 I67 K68 L69 W70 A91 I93 L177M21-L23 HydrophobicContact CE-CD1 4.07Å; M21-L23 HydrophobicContact CE-CD2 3.36Å; M21-L23 HydrophobicContact CE-CG 3.87Å; M21-L23 HydrophobicContact CG-CD2 4.42Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.89Å; M21-L23 HydrophobicContact SD-CD2 4.14Å; M21-L23 HydrophobicContact SD-CG 3.96Å; L23-I67 HydrophobicContact CD1-CG2 3.6Å; L23-I67 HydrophobicContact CG-CG2 4.23Å; L23-K68 PolarHBondContact N-O 3.01Å; L23-L69 HydrophobicContact CB-CD1 3.43Å; L23-L69 VanDerWaalsContact CB-CD1 3.43Å; L23-L69 HydrophobicContact CD1-CD1 4.36Å; L23-L69 WeakPolarHBondContact O-CA 3.45Å; L23-W70 PolarHBondContact O-N 2.87Å; L23-A91 HydrophobicContact CD2-CB 3.72Å; L23-A91 VanDerWaalsContact CD2-O 3.31Å; L23-A91 WeakPolarHBondContact CD2-O 3.12Å; L23-I93 HydrophobicContact CD1-CD1 4.18Å; L23-L177 HydrophobicContact CD1-CB 4.48Å; L23-L177 HydrophobicContact CD1-CD1 4.04Å; L23-L177 HydrophobicContact CD1-CD2 3.85Å; L23-L177 HydrophobicContact CD1-CG 4.35Å; L23-L177 HydrophobicContact CD2-CD2 3.95Å
24T98.3Very high87.3Confident0 Ų057 Ų570%027%0.269CS..EExtended strand (participates in β ladder)trans-125.2129171.7-68.70000110.2V26 W70 I72 Y85 V89 A91 I93T24-V26 HydrophobicContact CG2-CG1 3.95Å; T24-W70 HydrophobicContact CG2-CB 4.31Å; T24-I72 HydrophobicContact CG2-CG1 3.85Å; T24-Y85 WeakPolarHBondContact CB-O 3.33Å; T24-Y85 PolarHBondContact OG1-O 3.04Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.46Å; T24-A91 PolarHBondContact N-O 2.99Å; T24-I93 PolarHBondContact O-N 2.8Å
25L98.6Very high88.8Confident0 Ų052.7 Ų52.70%025%0.247CC..EExtended strand (participates in β ladder)trans-107.6115.4-178.8177.961.3000109.7K33 F36 V37 L69 W70 I72 I93 M95L25-K33 HydrophobicContact CD1-CB 4.42Å; L25-K33 HydrophobicContact CD1-CD 4.45Å; L25-K33 HydrophobicContact CD1-CG 3.98Å; L25-K33 HydrophobicContact CD2-CB 3.6Å; L25-K33 HydrophobicContact CD2-CG 4.08Å; L25-K33 VanDerWaalsContact CD2-O 3.24Å; L25-K33 WeakPolarHBondContact CD2-O 3.48Å; L25-K33 HydrophobicContact CG-CB 3.74Å; L25-K33 HydrophobicContact CG-CD 3.99Å; L25-K33 HydrophobicContact CG-CG 3.69Å; L25-F36 HydrophobicContact CD2-CD1 3.97Å; L25-V37 HydrophobicContact CD2-CG2 3.62Å; L25-L69 HydrophobicContact CB-CD1 4.01Å; L25-L69 HydrophobicContact CD2-CD2 4.49Å; L25-W70 PolarHBondContact N-O 2.92Å; L25-I72 PolarHBondContact O-N 2.99Å; L25-I72 VanDerWaalsContact O-N 3.11Å; L25-I93 WeakPolarHBondContact CA-O 3.23Å; L25-I93 HydrophobicContact CB-CB 4.47Å; L25-I93 HydrophobicContact CD1-CB 3.65Å; L25-I93 HydrophobicContact CD1-CG2 3.42Å; L25-I93 VanDerWaalsContact CD1-CG2 3.42Å; L25-M95 HydrophobicContact CD1-CB 3.96Å; L25-M95 HydrophobicContact CD1-CE 4.26Å
26V98.7Very high90.5Very high0 Ų047.9 Ų47.90%022%0.222CC..EExtended strand (participates in β ladder)trans-131.1171.6-177-70.80000110.7T24 K33 I72 W82 I92 I93 Y94 M95 L114T24-V26 HydrophobicContact CG2-CG1 3.95Å; V26-K33 VanDerWaalsContact C-CD 3.45Å; V26-I72 HydrophobicContact CG1-CB 4.09Å; V26-I72 HydrophobicContact CG1-CG1 4.04Å; V26-W82 HydrophobicContact CB-CD2 3.91Å; V26-W82 HydrophobicContact CB-CE3 4.2Å; V26-W82 HydrophobicContact CB-CG 4.16Å; V26-W82 HydrophobicContact CG1-CB 3.98Å; V26-W82 HydrophobicContact CG1-CD2 3.94Å; V26-W82 HydrophobicContact CG1-CG 3.64Å; V26-I92 HydrophobicContact CG2-CG2 3.81Å; V26-I93 PolarHBondContact N-O 2.74Å; V26-Y94 HydrophobicContact CG2-CD2 3.79Å; V26-Y94 HydrophobicContact CG2-CE2 4.46Å; V26-Y94 WeakPolarHBondContact O-CA 3.34Å; V26-M95 PolarHBondContact O-N 3.31Å; V26-L114 HydrophobicContact CG2-CD2 3.82Å
27G98.5Very high92.2Very high0 Ų040.3 Ų40.30%019%0.189CC..  trans132.6167.2-174.500000111.6K33 G74 W82G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 2.87Å; G27-G74 WeakPolarHBondContact O-CA 3.4Å; G27-W82 WeakPolarHBondContact O-CZ2 3.31Å
28L98.1Very high93.6Very high9 Ų933.4 Ų33.45%0.04717%0.165CC..SBendtrans-60.1159-173.4-51.9-173.6000112.7S31 K33 R79 W82 K103 A106 E110L28-S31 WeakPolarHBondContact O-CB 3.43Å; L28-S31 PolarHBondContact O-N 2.76Å; L28-S31 PolarHBondContact O-OG 2.78Å; L28-K33 PolarHBondContact O-NZ 2.62Å; L28-R79 VanDerWaalsContact CD2-CZ 3.45Å; L28-W82 HydrophobicContact CD2-CH2 4.42Å; L28-K103 HydrophobicContact CD1-CB 3.97Å; L28-K103 HydrophobicContact CD1-CD 4.47Å; L28-A106 HydrophobicContact CD1-CB 4.18Å; L28-E110 HydrophobicContact CD2-CB 4.36Å; L28-E110 HydrophobicContact CD2-CG 4Å
29Q95.9Very high94.9Very high82 Ų8227.3 Ų27.338%0.38314%0.139SC..THydrogen-bonded Turntrans-56.7152171.765.2178.2-5.700110.8S31 G74 Q75Q29-S31 PolarHBondContact O-N 2.91Å; Q29-G74 PolarHBondContact N-O 2.86Å; Q29-G74 VanDerWaalsContact N-O 3.15Å; Q29-Q75 HydrophobicContact CB-CG 4.34Å
30N94.9Very high95.5Very high106 Ų10625 Ų2557%0.56713%0.129SC*.THydrogen-bonded Turntrans68.10.9-178-161.354.4000116.5G32 K131N30-G32 PolarHBondContact O-N 3.12Å; N30-K131 PolarHBondContact ND2-NZ 2.8Å; N30-K131 VanDerWaalsContact ND2-NZ 3.16Å; N30-K131 VanDerWaalsContact O-CE 3.25Å; N30-K131 WeakPolarHBondContact O-CE 3.48Å; N30-K131 PolarHBondContact O-NZ 3.09Å
31S97.1Very high95.7Very high2 Ų219.7 Ų19.71%0.01411%0.109CC..SBendtrans-70.2-15177.266.60000114.7L28 Q29 K33 M95 N130L28-S31 WeakPolarHBondContact O-CB 3.43Å; L28-S31 PolarHBondContact O-N 2.76Å; L28-S31 PolarHBondContact O-OG 2.78Å; Q29-S31 PolarHBondContact O-N 2.91Å; S31-K33 PolarHBondContact OG-NZ 3.1Å; S31-M95 WeakPolarHBondContact CB-O 2.96Å; S31-M95 WeakPolarHBondContact O-CG 3.32Å; S31-M95 PolarHBondContact OG-O 2.84Å; S31-N130 WeakPolarHBondContact O-CB 3.31Å; S31-N130 PolarHBondContact O-ND2 2.78Å
32G96.9Very high95.5Very high11 Ų1122.6 Ų22.611%0.11313%0.13CC..  trans99.818.7176.100000115.6N30 T34 T35 F36N30-G32 PolarHBondContact O-N 3.12Å; G32-T34 PolarHBondContact O-N 3.11Å; G32-T35 VanDerWaalsContact O-CB 3.31Å; G32-T35 WeakPolarHBondContact O-CB 3.49Å; G32-T35 PolarHBondContact O-N 3.31Å; G32-T35 VanDerWaalsContact O-N 3.16Å; G32-F36 PolarHBondContact O-N 3.45Å
33K97.1Very high95.1Very high12 Ų1221.1 Ų21.15%0.05213%0.131CC..Hα-helixtrans-52.8-53.9-179.6-66.5-177-60.9-65.60113.9L25 V26 G27 L28 S31 T35 F36 V37 D71 I72 M95L25-K33 HydrophobicContact CD1-CB 4.42Å; L25-K33 HydrophobicContact CD1-CD 4.45Å; L25-K33 HydrophobicContact CD1-CG 3.98Å; L25-K33 HydrophobicContact CD2-CB 3.6Å; L25-K33 HydrophobicContact CD2-CG 4.08Å; L25-K33 VanDerWaalsContact CD2-O 3.24Å; L25-K33 WeakPolarHBondContact CD2-O 3.48Å; L25-K33 HydrophobicContact CG-CB 3.74Å; L25-K33 HydrophobicContact CG-CD 3.99Å; L25-K33 HydrophobicContact CG-CG 3.69Å; V26-K33 VanDerWaalsContact C-CD 3.45Å; G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 2.87Å; L28-K33 PolarHBondContact O-NZ 2.62Å; S31-K33 PolarHBondContact OG-NZ 3.1Å; K33-T35 VanDerWaalsContact C-N 3.29Å; K33-T35 PolarHBondContact O-N 2.81Å; K33-F36 WeakPolarHBondContact O-CB 3.3Å; K33-F36 PolarHBondContact O-N 3.36Å; K33-V37 VanDerWaalsContact O-CG2 3.24Å; K33-V37 WeakPolarHBondContact O-CG2 3.27Å; K33-V37 PolarHBondContact O-N 3.31Å; K33-D71 WeakPolarHBondContact CB-OD1 3.43Å; K33-I72 WeakPolarHBondContact CE-O 3.39Å; K33-M95 HydrophobicContact CG-CB 3.89Å; K33-M95 HydrophobicContact CG-CG 4.41Å; K33-M95 HydrophobicContact CG-SD 4.24Å; K33-M95 PolarHBondContact N-SD 3.4Å; K33-M95 VanDerWaalsContact N-SD 3.41Å
34T95.6Very high94.6Very high30 Ų3027.3 Ų27.318%0.18416%0.16CC..Hα-helixtrans-64.7-35.6179.1-47.10000111.9G32 V37 N38 M49 T52 D71G32-T34 PolarHBondContact O-N 3.11Å; T34-V37 PolarHBondContact O-N 2.91Å; T34-N38 PolarHBondContact O-N 3.05Å; T34-N38 PolarHBondContact O-ND2 2.91Å; T34-M49 HydrophobicContact CG2-SD 4.03Å; T34-T52 PolarHBondContact OG1-OG1 3.29Å; T34-D71 WeakPolarHBondContact CA-OD2 3.4Å; T34-D71 WeakPolarHBondContact CB-OD2 3.32Å; T34-D71 PolarHBondContact OG1-OD2 3.4Å
35T96.3Very high94Very high16 Ų1630.8 Ų30.810%0.09818%0.175CC..Hα-helixtrans-61.3-48.3172.7-49.40000110.7G32 K33 V37 N38 V39 F45 C164G32-T35 VanDerWaalsContact O-CB 3.31Å; G32-T35 WeakPolarHBondContact O-CB 3.49Å; G32-T35 PolarHBondContact O-N 3.31Å; G32-T35 VanDerWaalsContact O-N 3.16Å; K33-T35 VanDerWaalsContact C-N 3.29Å; K33-T35 PolarHBondContact O-N 2.81Å; T35-V37 PolarHBondContact O-N 3.31Å; T35-N38 PolarHBondContact O-N 3.37Å; T35-N38 VanDerWaalsContact O-N 3.12Å; T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 WeakPolarHBondContact O-CG2 3.49Å; T35-V39 PolarHBondContact O-N 3.23Å; T35-F45 HydrophobicContact CG2-CD2 3.45Å; T35-F45 VanDerWaalsContact CG2-CD2 3.45Å; T35-F45 HydrophobicContact CG2-CE2 3.57Å; T35-C164 HydrophobicContact CG2-CB 3.79Å
36F96.8Very high93.3Very high0 Ų034.2 Ų34.20%020%0.196CC..Hα-helixtrans-56.6-48.8176.1179-101.7000111.4L25 G32 K33 N38 V39 I40 I93 M95 L128 I162 I170 T173L25-F36 HydrophobicContact CD2-CD1 3.97Å; G32-F36 PolarHBondContact O-N 3.45Å; K33-F36 WeakPolarHBondContact O-CB 3.3Å; K33-F36 PolarHBondContact O-N 3.36Å; F36-N38 VanDerWaalsContact C-N 3.25Å; F36-N38 PolarHBondContact O-N 3.12Å; F36-V39 PolarHBondContact O-N 3.14Å; F36-V39 VanDerWaalsContact O-N 3.15Å; F36-I40 HydrophobicContact CD1-CD1 4.43Å; F36-I40 HydrophobicContact CD1-CG2 4.43Å; F36-I40 HydrophobicContact CD2-CG2 4.28Å; F36-I40 HydrophobicContact CE1-CD1 4.07Å; F36-I40 HydrophobicContact CE1-CG2 4.03Å; F36-I40 HydrophobicContact CE2-CG2 3.85Å; F36-I40 HydrophobicContact CZ-CG2 3.72Å; F36-I40 WeakPolarHBondContact O-CG1 3.45Å; F36-I40 PolarHBondContact O-N 3.01Å; F36-I93 HydrophobicContact CE1-CD1 4.04Å; F36-M95 HydrophobicContact CB-CE 3.61Å; F36-M95 HydrophobicContact CB-SD 4.18Å; F36-M95 HydrophobicContact CD1-CE 4.24Å; F36-M95 HydrophobicContact CD2-CE 3.99Å; F36-M95 HydrophobicContact CG-CE 3.69Å; F36-L128 HydrophobicContact CD2-CD1 4.36Å; F36-L128 HydrophobicContact CE1-CD1 4.38Å; F36-L128 HydrophobicContact CE2-CD1 3.93Å; F36-L128 HydrophobicContact CZ-CD1 3.94Å; F36-I162 HydrophobicContact CD2-CD1 3.95Å; F36-I162 HydrophobicContact CE2-CD1 4.18Å; F36-I170 HydrophobicContact CD2-CD1 4.21Å; F36-I170 HydrophobicContact CE2-CD1 4.14Å; F36-T173 HydrophobicContact CE2-CG2 3.88Å; F36-T173 HydrophobicContact CZ-CG2 3.7Å
37V94.9Very high92.1Very high2 Ų241.1 Ų41.11%0.01223%0.228CC..Hα-helixtrans-54.8-40.8176.6173.80000111.6L25 K33 T34 T35 I40 A41 K58 L69 D71L25-V37 HydrophobicContact CD2-CG2 3.62Å; K33-V37 VanDerWaalsContact O-CG2 3.24Å; K33-V37 WeakPolarHBondContact O-CG2 3.27Å; K33-V37 PolarHBondContact O-N 3.31Å; T34-V37 PolarHBondContact O-N 2.91Å; T35-V37 PolarHBondContact O-N 3.31Å; V37-I40 VanDerWaalsContact O-CG1 3.28Å; V37-I40 WeakPolarHBondContact O-CG1 3.44Å; V37-A41 WeakPolarHBondContact O-CB 3.17Å; V37-A41 PolarHBondContact O-N 2.71Å; V37-A41 VanDerWaalsContact O-N 3.12Å; V37-K58 HydrophobicContact CG1-CB 3.86Å; V37-K58 HydrophobicContact CG1-CD 3.45Å; V37-K58 VanDerWaalsContact CG1-CD 3.45Å; V37-K58 HydrophobicContact CG1-CG 4.26Å; V37-L69 HydrophobicContact CB-CD2 4.22Å; V37-L69 HydrophobicContact CG1-CD2 4.37Å; V37-L69 HydrophobicContact CG2-CD2 3.46Å; V37-L69 VanDerWaalsContact CG2-CD2 3.46Å; V37-L69 HydrophobicContact CG2-CG 4.2Å; V37-D71 HydrophobicContact CG2-CB 3.92Å
38N93.1Very high91.2Very high35 Ų3548.2 Ų48.219%0.18727%0.266CS..Hα-helixtrans-73.6-41.1178.5-72.9-25.9000112.5T34 T35 F36 I40 A41 S42 M49 K58T34-N38 PolarHBondContact O-N 3.05Å; T34-N38 PolarHBondContact O-ND2 2.91Å; T35-N38 PolarHBondContact O-N 3.37Å; T35-N38 VanDerWaalsContact O-N 3.12Å; F36-N38 VanDerWaalsContact C-N 3.25Å; F36-N38 PolarHBondContact O-N 3.12Å; N38-I40 PolarHBondContact O-N 3.41Å; N38-A41 PolarHBondContact O-N 3.15Å; N38-S42 PolarHBondContact O-N 2.85Å; N38-S42 PolarHBondContact O-OG 3.15Å; N38-S42 VanDerWaalsContact O-OG 3.09Å; N38-M49 HydrophobicContact CB-CE 4.41Å; N38-M49 WeakPolarHBondContact ND2-CE 3.34Å; N38-K58 PolarHBondContact OD1-NZ 3.48Å
39V93.9Very high90.5Very high8 Ų850.7 Ų50.75%0.04828%0.278CS..Hα-helixtrans-60.8-45.7176170.20000110.9T35 F36 A41 G43 C164 K167 I170T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 WeakPolarHBondContact O-CG2 3.49Å; T35-V39 PolarHBondContact O-N 3.23Å; F36-V39 PolarHBondContact O-N 3.14Å; F36-V39 VanDerWaalsContact O-N 3.15Å; V39-A41 VanDerWaalsContact C-N 3.32Å; V39-A41 PolarHBondContact O-N 2.88Å; V39-G43 WeakPolarHBondContact O-CA 3.47Å; V39-G43 PolarHBondContact O-N 3.33Å; V39-C164 HydrophobicContact CG2-CB 4.17Å; V39-C164 WeakPolarHBondContact CG2-O 3.38Å; V39-K167 HydrophobicContact CG1-CG 4.4Å; V39-I170 HydrophobicContact CG1-CG1 4.39Å; V39-I170 HydrophobicContact CG1-CG2 4.37Å
40I91.4Very high90Very high5 Ų553.7 Ų53.73%0.02630%0.295CS..Hα-helixtrans-69.8-31.9178.464.4167.6000112.2F36 V37 N38 I60 K62 L69 I170 L174F36-I40 HydrophobicContact CD1-CD1 4.43Å; F36-I40 HydrophobicContact CD1-CG2 4.43Å; F36-I40 HydrophobicContact CD2-CG2 4.28Å; F36-I40 HydrophobicContact CE1-CD1 4.07Å; F36-I40 HydrophobicContact CE1-CG2 4.03Å; F36-I40 HydrophobicContact CE2-CG2 3.85Å; F36-I40 HydrophobicContact CZ-CG2 3.72Å; F36-I40 WeakPolarHBondContact O-CG1 3.45Å; F36-I40 PolarHBondContact O-N 3.01Å; V37-I40 VanDerWaalsContact O-CG1 3.28Å; V37-I40 WeakPolarHBondContact O-CG1 3.44Å; N38-I40 PolarHBondContact O-N 3.41Å; I40-I60 HydrophobicContact CD1-CD1 3.36Å; I40-I60 HydrophobicContact CG1-CD1 3.53Å; I40-K62 WeakPolarHBondContact O-CE 3.45Å; I40-K62 PolarHBondContact O-NZ 2.7Å; I40-L69 HydrophobicContact CD1-CD2 3.55Å; I40-I170 HydrophobicContact CG2-CG2 4.34Å; I40-L174 HydrophobicContact CB-CD2 4.34Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å
41A89.8Confident89.4Confident32 Ų3252.2 Ų52.226%0.26429%0.291SS..Hα-helixtrans-77.3-52.7-177.100000113V37 N38 V39 K58 I60V37-A41 WeakPolarHBondContact O-CB 3.17Å; V37-A41 PolarHBondContact O-N 2.71Å; V37-A41 VanDerWaalsContact O-N 3.12Å; N38-A41 PolarHBondContact O-N 3.15Å; V39-A41 VanDerWaalsContact C-N 3.32Å; V39-A41 PolarHBondContact O-N 2.88Å; A41-K58 HydrophobicContact CB-CD 3.9Å; A41-K58 VanDerWaalsContact CB-CE 3.49Å; A41-I60 HydrophobicContact CB-CD1 4.02Å; A41-I60 HydrophobicContact CB-CG1 3.82Å
42S87.6Confident88.8Confident64 Ų6453.4 Ų53.445%0.44830%0.299SS..Hα-helixtrans-118-6.2-172.860.30000113.8N38 Q44N38-S42 PolarHBondContact O-N 2.85Å; N38-S42 PolarHBondContact O-OG 3.15Å; N38-S42 VanDerWaalsContact O-OG 3.09Å; S42-Q44 PolarHBondContact O-N 2.8Å; S42-Q44 PolarHBondContact OG-N 3.38Å
43G86.1Confident88.3Confident29 Ų2958.1 Ų58.130%0.29933%0.325SS..SBendtrans70.77.8-173.200000113.6V39 K167V39-G43 WeakPolarHBondContact O-CA 3.47Å; V39-G43 PolarHBondContact O-N 3.33Å; G43-K167 WeakPolarHBondContact O-CE 3.24Å; G43-K167 PolarHBondContact O-NZ 2.95Å
44Q86.5Confident88Confident130 Ų13058.1 Ų58.161%0.60733%0.328SS*.  trans-101.8132.2-177.4-66.3178.4-24.400110.7S42S42-Q44 PolarHBondContact O-N 2.8Å; S42-Q44 PolarHBondContact OG-N 3.38Å
45F85.2Confident87.8Confident74 Ų7461.1 Ų61.133%0.32534%0.339SS..  trans-91.6135.4167175.3-97.4000108.8T35 E47 K165T35-F45 HydrophobicContact CG2-CD2 3.45Å; T35-F45 VanDerWaalsContact CG2-CD2 3.45Å; T35-F45 HydrophobicContact CG2-CE2 3.57Å; F45-E47 HydrophobicContact CE1-CB 3.75Å; F45-E47 HydrophobicContact CE1-CG 4.1Å; F45-E47 HydrophobicContact CZ-CB 4.29Å; F45-E47 HydrophobicContact CZ-CG 4.39Å; F45-K165 HydrophobicContact CD1-CG 4.37Å; F45-K165 HydrophobicContact CD2-CB 4.09Å; F45-K165 HydrophobicContact CE1-CG 4.08Å; F45-K165 HydrophobicContact CE2-CB 3.8Å; F45-K165 HydrophobicContact CE2-CG 4.23Å; F45-K165 HydrophobicContact CZ-CB 4.05Å; F45-K165 HydrophobicContact CZ-CD 4.41Å; F45-K165 HydrophobicContact CZ-CG 4.01Å
46V84.6Confident87.7Confident71 Ų7164.2 Ų64.243%0.4336%0.355SS..  trans-125.1122.5171.7-179.80000106.3M49V46-M49 HydrophobicContact CB-CE 3.77Å; V46-M49 HydrophobicContact CG1-CE 4.46Å; V46-M49 HydrophobicContact CG2-CE 4.49Å
47E74.5Confident87.6Confident145 Ų14567.7 Ų67.768%0.67837%0.372SS*.SBendtrans-72-49-170.4-165.6161.8-163.400111.9F45 M49F45-E47 HydrophobicContact CE1-CB 3.75Å; F45-E47 HydrophobicContact CE1-CG 4.1Å; F45-E47 HydrophobicContact CZ-CB 4.29Å; F45-E47 HydrophobicContact CZ-CG 4.39Å; E47-M49 PolarHBondContact O-N 3.25Å; E47-M49 VanDerWaalsContact O-N 3.15Å
48D78Confident87.5Confident150 Ų15070.5 Ų70.580%0.80238%0.384SS*.  trans-88.882.1-176.6-64.5-46.2000112.5
49M84.1Confident87.5Confident60 Ų6074.9 Ų74.930%0.29640%0.401SS..PPolyproline II helixtrans-87.6127174-74.7-66-178.500112.8T34 N38 V46 E47T34-M49 HydrophobicContact CG2-SD 4.03Å; N38-M49 HydrophobicContact CB-CE 4.41Å; N38-M49 WeakPolarHBondContact ND2-CE 3.34Å; V46-M49 HydrophobicContact CB-CE 3.77Å; V46-M49 HydrophobicContact CG1-CE 4.46Å; V46-M49 HydrophobicContact CG2-CE 4.49Å; E47-M49 PolarHBondContact O-N 3.25Å; E47-M49 VanDerWaalsContact O-N 3.15Å
50I85.1Confident87.3Confident145 Ų14574.9 Ų74.974%0.74440%0.401SS*.PPolyproline II helixtrans-77.5136.9170.3-59.5172.7000109.1T52I50-T52 PolarHBondContact O-N 3.07Å
51P83.3Confident87Confident75 Ų7578.4 Ų78.449%0.48742%0.423SS..PPolyproline II helixtrans-55.6128.4177-27.235.2000113.3V53 Q75P51-V53 PolarHBondContact O-N 3.26Å; P51-Q75 VanDerWaalsContact CB-NE2 3.32Å
52T85Confident86.4Confident28 Ų2881.1 Ų81.117%0.17243%0.429CS..PPolyproline II helixtrans-60127.6178.1-48.70000111.8T34 I50T34-T52 PolarHBondContact OG1-OG1 3.29Å; I50-T52 PolarHBondContact O-N 3.07Å
53V85.2Confident85.8Confident109 Ų10981.6 Ų81.666%0.66144%0.444SS*.  trans-90.2114.5172.3177.70000108.2P51 F55 F78P51-V53 PolarHBondContact O-N 3.26Å; V53-F55 PolarHBondContact O-N 2.95Å; V53-F78 HydrophobicContact CB-CZ 4.42Å; V53-F78 HydrophobicContact CG1-CZ 3.93Å
54G90.8Very high85.4Confident12 Ų1283.6 Ų83.612%0.12445%0.448CS..SBendtrans74.6-105.1179.100000112.8G73 F78G54-G73 PolarHBondContact O-N 3.28Å; G54-F78 VanDerWaalsContact N-CZ 3.28Å
55F92Very high85.2Confident94 Ų9477.6 Ų77.641%0.41242%0.42SS..EExtended strand (participates in β ladder)trans-150.2156.6-177.263.6-87.2000111.4V53 W70 D71 I72 Y85V53-F55 PolarHBondContact O-N 2.95Å; F55-W70 AromaticContact CD2-CE3 3.84Å; F55-W70 HydrophobicContact CD2-CE3 3.84Å; F55-W70 AromaticContact CD2-CZ3 3.57Å; F55-W70 HydrophobicContact CD2-CZ3 3.57Å; F55-W70 HydrophobicContact CE2-CE3 4.41Å; F55-W70 AromaticContact CE2-CZ3 3.69Å; F55-W70 HydrophobicContact CE2-CZ3 3.69Å; F55-D71 CarbonylContact C-O 3.51Å; F55-D71 VanDerWaalsContact CA-O 3.29Å; F55-D71 WeakPolarHBondContact CA-O 3.45Å; F55-I72 HydrophobicContact CB-CD1 3.54Å; F55-Y85 HydrophobicContact CD1-CE1 4.37Å; F55-Y85 HydrophobicContact CD1-CE2 4.17Å; F55-Y85 AromaticContact CD1-CZ 3.66Å; F55-Y85 WeakPolarHBondContact CD1-OH 2.92Å; F55-Y85 AromaticContact CD2-CE1 3.96Å; F55-Y85 HydrophobicContact CD2-CE1 3.96Å; F55-Y85 AromaticContact CE1-CZ 3.89Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.15Å; F55-Y85 HydrophobicContact CE2-CE1 4.25Å; F55-Y85 HydrophobicContact CG-CE1 4.03Å; F55-Y85 HydrophobicContact CG-CE2 4.42Å; F55-Y85 AromaticContact CG-CZ 3.77Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.38Å
56N93.7Very high85.4Confident81 Ų8175 Ų7543%0.43341%0.41SS..EExtended strand (participates in β ladder)trans-134.7142.2171.6-179.554.1000110.2W70 D71N56-W70 WeakPolarHBondContact O-CA 3.33Å; N56-D71 PolarHBondContact N-O 3.29Å; N56-D71 PolarHBondContact O-N 2.81Å
57M94.3Very high85.8Confident72 Ų7271.7 Ų71.736%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-108.9126.2175-171.9-150.161.800109.6K59 K68 W70M57-K59 HydrophobicContact CE-CG 4.1Å; M57-K68 HydrophobicContact CG-CG 3.93Å; M57-K68 HydrophobicContact SD-CD 4.13Å; M57-K68 VanDerWaalsContact SD-CE 3.56Å; M57-K68 HydrophobicContact SD-CG 3.87Å; M57-W70 HydrophobicContact CB-CD2 4.16Å; M57-W70 HydrophobicContact CB-CE3 3.67Å; M57-W70 HydrophobicContact CB-CH2 3.95Å; M57-W70 HydrophobicContact CB-CZ2 4.42Å; M57-W70 HydrophobicContact CB-CZ3 3.56Å; M57-W70 HydrophobicContact CG-CD2 4.08Å; M57-W70 HydrophobicContact CG-CE3 4.1Å; M57-W70 HydrophobicContact CG-CH2 4.06Å; M57-W70 HydrophobicContact CG-CZ2 4.05Å; M57-W70 HydrophobicContact CG-CZ3 4.09Å; M57-W70 HydrophobicContact SD-CH2 4.3Å; M57-W70 HydrophobicContact SD-CZ2 4.25Å
58K93.9Very high86.7Confident61 Ų6167.4 Ų67.427%0.26537%0.369SS..EExtended strand (participates in β ladder)trans-120129.4172.6-156.1165.5-167.9174.30110.6V37 N38 A41 I60 L69V37-K58 HydrophobicContact CG1-CB 3.86Å; V37-K58 HydrophobicContact CG1-CD 3.45Å; V37-K58 VanDerWaalsContact CG1-CD 3.45Å; V37-K58 HydrophobicContact CG1-CG 4.26Å; N38-K58 PolarHBondContact OD1-NZ 3.48Å; A41-K58 HydrophobicContact CB-CD 3.9Å; A41-K58 VanDerWaalsContact CB-CE 3.49Å; K58-I60 HydrophobicContact CG-CG1 4.25Å; K58-L69 PolarHBondContact N-O 3.09Å; K58-L69 PolarHBondContact O-N 2.64Å
59K92.3Very high87.6Confident127 Ų12760.3 Ų60.355%0.55233%0.331SS*.EExtended strand (participates in β ladder)trans-96.1128.1169.8-70.4-171.9177.6-1690109.3M57 I67M57-K59 HydrophobicContact CE-CG 4.1Å; K59-I67 CarbonylContact C-O 3.55Å; K59-I67 WeakPolarHBondContact CA-O 3.43Å
60I90.1Very high88.2Confident8 Ų859.4 Ų59.44%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-129.4115.7-176.8-58.7155.6000107.5I40 A41 K58 K62 I67I40-I60 HydrophobicContact CD1-CD1 3.36Å; I40-I60 HydrophobicContact CG1-CD1 3.53Å; A41-I60 HydrophobicContact CB-CD1 4.02Å; A41-I60 HydrophobicContact CB-CG1 3.82Å; K58-I60 HydrophobicContact CG-CG1 4.25Å; I60-K62 HydrophobicContact CG2-CG 4.06Å; I60-I67 HydrophobicContact CB-CB 4.47Å; I60-I67 PolarHBondContact N-O 2.87Å; I60-I67 PolarHBondContact O-N 3.47Å
61T85.2Confident88.8Confident79 Ų7952.5 Ų52.549%0.48529%0.289SS..EExtended strand (participates in β ladder)trans-95.7121.3175-56.90000109.3V65 T66T61-V65 WeakPolarHBondContact CA-O 3.44Å; T61-T66 PolarHBondContact OG1-OG1 3.26Å
62K75.8Confident89.4Confident90 Ų9049 Ų4939%0.39127%0.266SS..EExtended strand (participates in β ladder)trans-126.1110.7173.7-67.4-75.1-177174.80107.9I40 I60 N64 V65I40-K62 WeakPolarHBondContact O-CE 3.45Å; I40-K62 PolarHBondContact O-NZ 2.7Å; I60-K62 HydrophobicContact CG2-CG 4.06Å; K62-N64 PolarHBondContact O-N 2.86Å; K62-V65 PolarHBondContact N-O 2.91Å; K62-V65 PolarHBondContact O-N 2.78Å; K62-V65 VanDerWaalsContact O-N 3.12Å
63G76.7Confident89.9Confident74 Ų7447.7 Ų47.776%0.76326%0.258SS*.THydrogen-bonded Turntrans60.9-125-174.300000111.8
64N77.8Confident90.4Very high71 Ų7142.7 Ų42.738%0.3823%0.229SC..THydrogen-bonded Turntrans-91.72.8178.167.9-35.2000113.7K18 E19 K62K18-N64 CarbonylContact C-O 3.52Å; K18-N64 VanDerWaalsContact CA-O 3.23Å; K18-N64 WeakPolarHBondContact CA-O 3.48Å; E19-N64 PolarHBondContact N-O 2.88Å; K62-N64 PolarHBondContact O-N 2.86Å
65V81.6Confident90.6Very high4 Ų443.5 Ų43.52%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-106.6129.9179.7-172.10000110.1E19 M21 T61 K62 I67E19-V65 HydrophobicContact CB-CG1 4.49Å; E19-V65 HydrophobicContact CB-CG2 4.25Å; E19-V65 CarbonylContact O-C 3.53Å; E19-V65 VanDerWaalsContact O-CA 3.32Å; E19-V65 WeakPolarHBondContact O-CA 3.22Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; T61-V65 WeakPolarHBondContact CA-O 3.44Å; K62-V65 PolarHBondContact N-O 2.91Å; K62-V65 PolarHBondContact O-N 2.78Å; K62-V65 VanDerWaalsContact O-N 3.12Å; V65-I67 HydrophobicContact CG1-CG1 4.09Å
66T89.3Confident90.7Very high18 Ų1843.3 Ų43.311%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-105112.6168.7-60.70000109.2E19 E20 M21 T61E19-T66 PolarHBondContact O-N 3.47Å; E20-T66 WeakPolarHBondContact CA-O 3.44Å; M21-T66 PolarHBondContact N-O 3.33Å; T61-T66 PolarHBondContact OG1-OG1 3.26Å
67I92.2Very high90.8Very high3 Ų347.4 Ų47.42%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-93.6117.5179.6-56.3172.1000108.4M21 L23 K59 I60 V65 L69M21-I67 CarbonylContact O-C 3.47Å; M21-I67 WeakPolarHBondContact O-CA 3.42Å; L23-I67 HydrophobicContact CD1-CG2 3.6Å; L23-I67 HydrophobicContact CG-CG2 4.23Å; K59-I67 CarbonylContact C-O 3.55Å; K59-I67 WeakPolarHBondContact CA-O 3.43Å; I60-I67 HydrophobicContact CB-CB 4.47Å; I60-I67 PolarHBondContact N-O 2.87Å; I60-I67 PolarHBondContact O-N 3.47Å; V65-I67 HydrophobicContact CG1-CG1 4.09Å; I67-L69 HydrophobicContact CG2-CB 4.42Å
68K94.3Very high90.8Very high54 Ų5445.1 Ų45.124%0.23524%0.235CC..EExtended strand (participates in β ladder)trans-95.2104.8168.4-178.1-176171.4-153.50107.9M21 E22 L23 M57M21-K68 PolarHBondContact O-N 2.93Å; E22-K68 WeakPolarHBondContact CA-O 3.42Å; E22-K68 HydrophobicContact CG-CD 4.2Å; E22-K68 HydrophobicContact CG-CG 4.49Å; E22-K68 WeakPolarHBondContact OE1-CE 3.38Å; E22-K68 IonicContact OE1-NZ 2.74Å; E22-K68 PolarHBondContact OE1-NZ 2.9Å; E22-K68 IonicContact OE2-NZ 3.01Å; E22-K68 PolarHBondContact OE2-NZ 2.97Å; L23-K68 PolarHBondContact N-O 3.01Å; M57-K68 HydrophobicContact CG-CG 3.93Å; M57-K68 HydrophobicContact SD-CD 4.13Å; M57-K68 VanDerWaalsContact SD-CE 3.56Å; M57-K68 HydrophobicContact SD-CG 3.87Å
69L96.4Very high90.9Very high1 Ų144.3 Ų44.31%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-106.8121.6-176.9-174.962.9000110.6L23 L25 V37 I40 K58 I67 I93L23-L69 HydrophobicContact CB-CD1 3.43Å; L23-L69 VanDerWaalsContact CB-CD1 3.43Å; L23-L69 HydrophobicContact CD1-CD1 4.36Å; L23-L69 WeakPolarHBondContact O-CA 3.45Å; L25-L69 HydrophobicContact CB-CD1 4.01Å; L25-L69 HydrophobicContact CD2-CD2 4.49Å; V37-L69 HydrophobicContact CB-CD2 4.22Å; V37-L69 HydrophobicContact CG1-CD2 4.37Å; V37-L69 HydrophobicContact CG2-CD2 3.46Å; V37-L69 VanDerWaalsContact CG2-CD2 3.46Å; V37-L69 HydrophobicContact CG2-CG 4.2Å; I40-L69 HydrophobicContact CD1-CD2 3.55Å; K58-L69 PolarHBondContact N-O 3.09Å; K58-L69 PolarHBondContact O-N 2.64Å; I67-L69 HydrophobicContact CG2-CB 4.42Å; L69-I93 HydrophobicContact CD1-CD1 4.26Å
70W97.3Very high91Very high41 Ų4143.3 Ų43.316%0.15524%0.239CC..EExtended strand (participates in β ladder)trans-91.1113.4170-64.599.5000110.3E22 L23 T24 L25 F55 N56 M57 I72 Y85E22-W70 PolarHBondContact OE1-NE1 2.89Å; L23-W70 PolarHBondContact O-N 2.87Å; T24-W70 HydrophobicContact CG2-CB 4.31Å; L25-W70 PolarHBondContact N-O 2.92Å; F55-W70 AromaticContact CD2-CE3 3.84Å; F55-W70 HydrophobicContact CD2-CE3 3.84Å; F55-W70 AromaticContact CD2-CZ3 3.57Å; F55-W70 HydrophobicContact CD2-CZ3 3.57Å; F55-W70 HydrophobicContact CE2-CE3 4.41Å; F55-W70 AromaticContact CE2-CZ3 3.69Å; F55-W70 HydrophobicContact CE2-CZ3 3.69Å; N56-W70 WeakPolarHBondContact O-CA 3.33Å; M57-W70 HydrophobicContact CB-CD2 4.16Å; M57-W70 HydrophobicContact CB-CE3 3.67Å; M57-W70 HydrophobicContact CB-CH2 3.95Å; M57-W70 HydrophobicContact CB-CZ2 4.42Å; M57-W70 HydrophobicContact CB-CZ3 3.56Å; M57-W70 HydrophobicContact CG-CD2 4.08Å; M57-W70 HydrophobicContact CG-CE3 4.1Å; M57-W70 HydrophobicContact CG-CH2 4.06Å; M57-W70 HydrophobicContact CG-CZ2 4.05Å; M57-W70 HydrophobicContact CG-CZ3 4.09Å; M57-W70 HydrophobicContact SD-CH2 4.3Å; M57-W70 HydrophobicContact SD-CZ2 4.25Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; W70-Y85 AromaticContact CD2-CD1 3.9Å; W70-Y85 HydrophobicContact CD2-CD1 3.9Å; W70-Y85 HydrophobicContact CD2-CE1 4.25Å; W70-Y85 AromaticContact CE3-CD1 3.86Å; W70-Y85 HydrophobicContact CE3-CD1 3.86Å; W70-Y85 AromaticContact CE3-CE1 3.78Å; W70-Y85 HydrophobicContact CE3-CE1 3.78Å; W70-Y85 HydrophobicContact CG-CD1 4.21Å; W70-Y85 HydrophobicContact CH2-CE1 4.4Å; W70-Y85 HydrophobicContact CZ3-CD1 4.36Å; W70-Y85 AromaticContact CZ3-CE1 3.86Å; W70-Y85 HydrophobicContact CZ3-CE1 3.86Å
71D96.9Very high91.2Very high1 Ų145.1 Ų45.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-91.7112.4171.3179.121.5000109.3K33 T34 V37 F55 N56K33-D71 WeakPolarHBondContact CB-OD1 3.43Å; T34-D71 WeakPolarHBondContact CA-OD2 3.4Å; T34-D71 WeakPolarHBondContact CB-OD2 3.32Å; T34-D71 PolarHBondContact OG1-OD2 3.4Å; V37-D71 HydrophobicContact CG2-CB 3.92Å; F55-D71 CarbonylContact C-O 3.51Å; F55-D71 VanDerWaalsContact CA-O 3.29Å; F55-D71 WeakPolarHBondContact CA-O 3.45Å; N56-D71 PolarHBondContact N-O 3.29Å; N56-D71 PolarHBondContact O-N 2.81Å
72I96.6Very high91.8Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-105.3138.7-175.5-44.4-59.6000110.7T24 L25 V26 K33 F55 W70 G74 Y85T24-I72 HydrophobicContact CG2-CG1 3.85Å; L25-I72 PolarHBondContact O-N 2.99Å; L25-I72 VanDerWaalsContact O-N 3.11Å; V26-I72 HydrophobicContact CG1-CB 4.09Å; V26-I72 HydrophobicContact CG1-CG1 4.04Å; K33-I72 WeakPolarHBondContact CE-O 3.39Å; F55-I72 HydrophobicContact CB-CD1 3.54Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; I72-G74 PolarHBondContact O-N 3.38Å; I72-Y85 HydrophobicContact CD1-CD1 3.89Å; I72-Y85 HydrophobicContact CD1-CD2 3.94Å; I72-Y85 HydrophobicContact CD1-CG 3.58Å; I72-Y85 HydrophobicContact CG1-CG 4.44Å
73G94.9Very high92.8Very high1 Ų139.3 Ų39.31%0.0122%0.217CC..  trans-56.3134.9176.900000112.8G54 F78 W82G54-G73 PolarHBondContact O-N 3.28Å; G73-F78 WeakPolarHBondContact O-CB 3.31Å; G73-W82 PolarHBondContact O-NE1 3.06Å; G73-W82 VanDerWaalsContact O-NE1 3.09Å
74G95.7Very high93.7Very high5 Ų544.1 Ų44.15%0.05221%0.212CC..  trans-95.3-0.7-179.100000115.6G27 Q29 I72 R79G27-G74 WeakPolarHBondContact O-CA 3.4Å; Q29-G74 PolarHBondContact N-O 2.86Å; Q29-G74 VanDerWaalsContact N-O 3.15Å; I72-G74 PolarHBondContact O-N 3.38Å; G74-R79 PolarHBondContact O-NE 3.27Å; G74-R79 PolarHBondContact O-NH2 3.42Å
75Q94.8Very high94.6Very high29 Ų2941.9 Ų41.914%0.13620%0.198CC..SBendtrans-68146.1174.4-72.7171.846.300110.1Q29 P51 R77 F78Q29-Q75 HydrophobicContact CB-CG 4.34Å; P51-Q75 VanDerWaalsContact CB-NE2 3.32Å; Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.47Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.26Å; Q75-F78 HydrophobicContact CB-CD2 3.92Å; Q75-F78 HydrophobicContact CB-CE2 4.31Å; Q75-F78 PolarHBondContact O-N 3.32Å
76P94.9Very high95.4Very high90 Ų9041.7 Ų41.758%0.58420%0.197SC*.Hα-helixtrans-47.3-43.4-177.7-3135.9000114.4F78 R79P76-F78 PolarHBondContact O-N 3.08Å; P76-R79 PolarHBondContact O-N 3.06Å
77R95Very high95.6Very high166 Ų16646.1 Ų46.163%0.62621%0.212SC*.Hα-helixtrans-59.6-17.6178.862.4174.8161.9-178.6-3.8115.7Q75Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.47Å; Q75-R77 VanDerWaalsContact O-N 3.08Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.26Å
78F94.9Very high95.5Very high24 Ų2451.5 Ų51.511%0.10525%0.25CC..Hα-helixtrans-107.3-10.4-178.1-59-48.5000113.7V53 G54 G73 Q75 P76 S80 M81V53-F78 HydrophobicContact CB-CZ 4.42Å; V53-F78 HydrophobicContact CG1-CZ 3.93Å; G54-F78 VanDerWaalsContact N-CZ 3.28Å; G73-F78 WeakPolarHBondContact O-CB 3.31Å; Q75-F78 HydrophobicContact CB-CD2 3.92Å; Q75-F78 HydrophobicContact CB-CE2 4.31Å; Q75-F78 PolarHBondContact O-N 3.32Å; P76-F78 PolarHBondContact O-N 3.08Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.26Å; F78-M81 HydrophobicContact CB-CE 3.68Å; F78-M81 HydrophobicContact CD1-CE 3.55Å; F78-M81 HydrophobicContact CG-CE 3.97Å; F78-M81 WeakPolarHBondContact O-CB 3.22Å; F78-M81 PolarHBondContact O-N 3.38Å
79R96.3Very high95.5Very high45 Ų4549.4 Ų49.417%0.1724%0.242CC..Hα-helixtrans-67.6-29.5-174.4-57.2-171.3-171156.81.6113.4L28 G74 P76 M81 W82 E110L28-R79 VanDerWaalsContact CD2-CZ 3.45Å; G74-R79 PolarHBondContact O-NE 3.27Å; G74-R79 PolarHBondContact O-NH2 3.42Å; P76-R79 PolarHBondContact O-N 3.06Å; R79-M81 PolarHBondContact O-N 2.85Å; R79-M81 VanDerWaalsContact O-N 3.1Å; R79-W82 HydrophobicContact CB-CD2 4.22Å; R79-W82 HydrophobicContact CB-CZ2 4.26Å; R79-W82 HydrophobicContact CG-CD2 4.48Å; R79-W82 HydrophobicContact CG-CH2 4.1Å; R79-W82 HydrophobicContact CG-CZ2 3.64Å; R79-W82 VanDerWaalsContact O-CB 3.32Å; R79-W82 WeakPolarHBondContact O-CB 3.18Å; R79-W82 VanDerWaalsContact O-CG 3.28Å; R79-W82 PolarHBondContact O-N 2.84Å; R79-E110 WeakPolarHBondContact CD-OE1 2.94Å; R79-E110 WeakPolarHBondContact CD-OE2 3.47Å; R79-E110 IonicContact CZ-OE1 3.03Å; R79-E110 IonicContact NE-OE1 3.42Å; R79-E110 IonicContact NH1-OE1 2.65Å; R79-E110 PolarHBondContact NH1-OE1 2.85Å
80S94.1Very high95.5Very high105 Ų10551 Ų5173%0.73425%0.25SS*.THydrogen-bonded Turntrans-60.1-20.1172.858.50000113.6F78F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.26Å
81M94Very high95.5Very high47 Ų4749 Ų4923%0.23224%0.243CC..THydrogen-bonded Turntrans-84.4-16.4176.9-59.6-173.9-60.400113.2F78 R79 E83 R84 Y85F78-M81 HydrophobicContact CB-CE 3.68Å; F78-M81 HydrophobicContact CD1-CE 3.55Å; F78-M81 HydrophobicContact CG-CE 3.97Å; F78-M81 WeakPolarHBondContact O-CB 3.22Å; F78-M81 PolarHBondContact O-N 3.38Å; R79-M81 PolarHBondContact O-N 2.85Å; R79-M81 VanDerWaalsContact O-N 3.1Å; M81-E83 VanDerWaalsContact C-N 3.33Å; M81-E83 PolarHBondContact O-N 3.35Å; M81-R84 WeakPolarHBondContact O-CB 3.38Å; M81-R84 PolarHBondContact O-N 3.2Å; M81-Y85 HydrophobicContact CB-CD2 4.28Å; M81-Y85 HydrophobicContact CB-CE2 4.25Å; M81-Y85 WeakPolarHBondContact O-CD2 3.45Å; M81-Y85 PolarHBondContact O-N 3.02Å
82W97.7Very high95.6Very high4 Ų449 Ų492%0.01524%0.243CC..Hα-helixtrans-55-47.2-173.1-69.11.9000112.2V26 G27 L28 G73 R79 R84 Y85 C86 Y94 E110 L114V26-W82 HydrophobicContact CB-CD2 3.91Å; V26-W82 HydrophobicContact CB-CE3 4.2Å; V26-W82 HydrophobicContact CB-CG 4.16Å; V26-W82 HydrophobicContact CG1-CB 3.98Å; V26-W82 HydrophobicContact CG1-CD2 3.94Å; V26-W82 HydrophobicContact CG1-CG 3.64Å; G27-W82 WeakPolarHBondContact O-CZ2 3.31Å; L28-W82 HydrophobicContact CD2-CH2 4.42Å; G73-W82 PolarHBondContact O-NE1 3.06Å; G73-W82 VanDerWaalsContact O-NE1 3.09Å; R79-W82 HydrophobicContact CB-CD2 4.22Å; R79-W82 HydrophobicContact CB-CZ2 4.26Å; R79-W82 HydrophobicContact CG-CD2 4.48Å; R79-W82 HydrophobicContact CG-CH2 4.1Å; R79-W82 HydrophobicContact CG-CZ2 3.64Å; R79-W82 VanDerWaalsContact O-CB 3.32Å; R79-W82 WeakPolarHBondContact O-CB 3.18Å; R79-W82 VanDerWaalsContact O-CG 3.28Å; R79-W82 PolarHBondContact O-N 2.84Å; W82-R84 VanDerWaalsContact C-N 3.28Å; W82-R84 PolarHBondContact O-N 3.09Å; W82-Y85 PolarHBondContact O-N 3.11Å; W82-Y85 VanDerWaalsContact O-N 3.15Å; W82-C86 WeakPolarHBondContact O-CB 3.35Å; W82-C86 PolarHBondContact O-N 2.82Å; W82-C86 PolarHBondContact O-SG 3.1Å; W82-Y94 HydrophobicContact CH2-CE2 4.28Å; W82-Y94 AromaticContact CZ3-CE2 3.83Å; W82-Y94 HydrophobicContact CZ3-CE2 3.83Å; W82-E110 HydrophobicContact CH2-CB 4.28Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.85Å; W82-L114 HydrophobicContact CE3-CD2 4.19Å
83E96.9Very high95.7Very high43 Ų4349 Ų4920%0.20124%0.243CC..Hα-helixtrans-54.3-45.3178.4-175.2-169.8149.800111.8M81 Y85 C86 R87 K117 H119 L120M81-E83 VanDerWaalsContact C-N 3.33Å; M81-E83 PolarHBondContact O-N 3.35Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 2.79Å; E83-C86 PolarHBondContact O-N 2.9Å; E83-R87 WeakPolarHBondContact O-CG 3.4Å; E83-R87 PolarHBondContact O-N 2.8Å; E83-R87 IonicContact OE1-CZ 3.7Å; E83-R87 IonicContact OE1-NE 3.05Å; E83-R87 IonicContact OE1-NH2 2.78Å; E83-R87 PolarHBondContact OE1-NH2 3.25Å; E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4.08Å; E83-K117 HydrophobicContact CG-CG 3.93Å; E83-K117 WeakPolarHBondContact OE2-CD 2.98Å; E83-H119 IonicContact OE1-ND1 3.45Å; E83-H119 PolarHBondContact OE1-ND1 3.44Å; E83-L120 HydrophobicContact CG-CD1 4.49Å; E83-L120 HydrophobicContact CG-CG 4.5Å
84R96.1Very high95.9Very high174 Ų17449 Ų4966%0.65724%0.242SC*.Hα-helixtrans-59.9-40.4-177.7176.6-177.5167.1-171.2-3.6112M81 W82M81-R84 WeakPolarHBondContact O-CB 3.38Å; M81-R84 PolarHBondContact O-N 3.2Å; W82-R84 VanDerWaalsContact C-N 3.28Å; W82-R84 PolarHBondContact O-N 3.09Å
85Y96.7Very high96.1Very high24 Ų2448.8 Ų48.89%0.09424%0.24CC..Hα-helixtrans-86.7-17.8-177.8-71.9-89.2000113.1T24 F55 W70 I72 M81 W82 E83 R87 V89T24-Y85 WeakPolarHBondContact CB-O 3.33Å; T24-Y85 PolarHBondContact OG1-O 3.04Å; F55-Y85 HydrophobicContact CD1-CE1 4.37Å; F55-Y85 HydrophobicContact CD1-CE2 4.17Å; F55-Y85 AromaticContact CD1-CZ 3.66Å; F55-Y85 WeakPolarHBondContact CD1-OH 2.92Å; F55-Y85 AromaticContact CD2-CE1 3.96Å; F55-Y85 HydrophobicContact CD2-CE1 3.96Å; F55-Y85 AromaticContact CE1-CZ 3.89Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.15Å; F55-Y85 HydrophobicContact CE2-CE1 4.25Å; F55-Y85 HydrophobicContact CG-CE1 4.03Å; F55-Y85 HydrophobicContact CG-CE2 4.42Å; F55-Y85 AromaticContact CG-CZ 3.77Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.38Å; W70-Y85 AromaticContact CD2-CD1 3.9Å; W70-Y85 HydrophobicContact CD2-CD1 3.9Å; W70-Y85 HydrophobicContact CD2-CE1 4.25Å; W70-Y85 AromaticContact CE3-CD1 3.86Å; W70-Y85 HydrophobicContact CE3-CD1 3.86Å; W70-Y85 AromaticContact CE3-CE1 3.78Å; W70-Y85 HydrophobicContact CE3-CE1 3.78Å; W70-Y85 HydrophobicContact CG-CD1 4.21Å; W70-Y85 HydrophobicContact CH2-CE1 4.4Å; W70-Y85 HydrophobicContact CZ3-CD1 4.36Å; W70-Y85 AromaticContact CZ3-CE1 3.86Å; W70-Y85 HydrophobicContact CZ3-CE1 3.86Å; I72-Y85 HydrophobicContact CD1-CD1 3.89Å; I72-Y85 HydrophobicContact CD1-CD2 3.94Å; I72-Y85 HydrophobicContact CD1-CG 3.58Å; I72-Y85 HydrophobicContact CG1-CG 4.44Å; M81-Y85 HydrophobicContact CB-CD2 4.28Å; M81-Y85 HydrophobicContact CB-CE2 4.25Å; M81-Y85 WeakPolarHBondContact O-CD2 3.45Å; M81-Y85 PolarHBondContact O-N 3.02Å; W82-Y85 PolarHBondContact O-N 3.11Å; W82-Y85 VanDerWaalsContact O-N 3.15Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 2.79Å; Y85-R87 VanDerWaalsContact C-N 3.34Å; Y85-V89 WeakPolarHBondContact O-CG1 3.38Å
86C97.9Very high96.2Very high0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-82.7-7.8175-70.10000113.6W82 E83 V89 I92 L120 I123W82-C86 WeakPolarHBondContact O-CB 3.35Å; W82-C86 PolarHBondContact O-N 2.82Å; W82-C86 PolarHBondContact O-SG 3.1Å; E83-C86 PolarHBondContact O-N 2.9Å; C86-V89 WeakPolarHBondContact O-CG2 3.43Å; C86-I92 HydrophobicContact CB-CD1 3.73Å; C86-I92 HydrophobicContact CB-CG1 3.94Å; C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.73Å; C86-L120 HydrophobicContact CB-CD2 3.68Å; C86-L120 HydrophobicContact CB-CG 4.38Å; C86-L120 WeakPolarHBondContact O-CD2 3.24Å; C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.3Å
87R94.8Very high96.4Very high111 Ų11144.1 Ų44.142%0.41921%0.211SC..THydrogen-bonded Turntrans-69.4138.3177.9-72.9172.8-172.4-174.60.2111.3E83 Y85 V89 H119 L120E83-R87 WeakPolarHBondContact O-CG 3.4Å; E83-R87 PolarHBondContact O-N 2.8Å; E83-R87 IonicContact OE1-CZ 3.7Å; E83-R87 IonicContact OE1-NE 3.05Å; E83-R87 IonicContact OE1-NH2 2.78Å; E83-R87 PolarHBondContact OE1-NH2 3.25Å; Y85-R87 VanDerWaalsContact C-N 3.34Å; R87-V89 PolarHBondContact O-N 2.95Å; R87-V89 VanDerWaalsContact O-N 3.09Å; R87-H119 HydrophobicContact CG-CB 4.24Å; R87-L120 HydrophobicContact CG-CD2 3.96Å
88S89Confident96.6Very high116 Ų11636.2 Ų36.281%0.81118%0.181SC*.THydrogen-bonded Turntrans57.223.7171.9-52.90000114.9
89V95.6Very high96.8Very high11 Ų1136.2 Ų36.27%0.06719%0.186CC..  trans-84156.1171-55.80000110.3E22 T24 Y85 C86 R87 A91 I92 I123E22-V89 HydrophobicContact CG-CG1 4.33Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.46Å; Y85-V89 WeakPolarHBondContact O-CG1 3.38Å; C86-V89 WeakPolarHBondContact O-CG2 3.43Å; R87-V89 PolarHBondContact O-N 2.95Å; R87-V89 VanDerWaalsContact O-N 3.09Å; V89-A91 VanDerWaalsContact C-N 3.33Å; V89-A91 VanDerWaalsContact CG2-O 3.31Å; V89-A91 WeakPolarHBondContact CG2-O 3.29Å; V89-I92 HydrophobicContact CG2-CG1 3.85Å; V89-I123 HydrophobicContact CG2-CD1 4.46Å; V89-I123 HydrophobicContact CG2-CG2 3.75Å
90N95.6Very high96.8Very high34 Ų3435.4 Ų35.418%0.18219%0.185CC..SBendtrans-67.4-35.7173-66.888.7000112M21 E22 P124 H180M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.89Å; M21-N90 HydrophobicContact CG-CB 3.83Å; E22-N90 PolarHBondContact N-OD1 3.47Å; E22-N90 WeakPolarHBondContact O-CB 3.32Å; E22-N90 PolarHBondContact O-N 3.23Å; E22-N90 PolarHBondContact O-OD1 3.05Å; N90-P124 WeakPolarHBondContact O-CD 3.17Å; N90-H180 PolarHBondContact ND2-O 3.04Å
91A97.9Very high97Very high0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-157.8152.8173.700000111.4L23 T24 V89 P124 W176L23-A91 HydrophobicContact CD2-CB 3.72Å; L23-A91 VanDerWaalsContact CD2-O 3.31Å; L23-A91 WeakPolarHBondContact CD2-O 3.12Å; T24-A91 PolarHBondContact N-O 2.99Å; V89-A91 VanDerWaalsContact C-N 3.33Å; V89-A91 VanDerWaalsContact CG2-O 3.31Å; V89-A91 WeakPolarHBondContact CG2-O 3.29Å; A91-P124 CarbonylContact C-O 3.58Å; A91-P124 WeakPolarHBondContact CA-O 3.5Å; A91-P124 HydrophobicContact CB-CB 4.25Å; A91-W176 HydrophobicContact CB-CH2 4.2Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å
92I98.6Very high97.2Very high1 Ų141 Ų411%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-96.9129.2170.3-60.6166000107.8V26 C86 V89 L115 L120 I123 P124 V125 L126V26-I92 HydrophobicContact CG2-CG2 3.81Å; C86-I92 HydrophobicContact CB-CD1 3.73Å; C86-I92 HydrophobicContact CB-CG1 3.94Å; V89-I92 HydrophobicContact CG2-CG1 3.85Å; I92-L115 HydrophobicContact CD1-CD2 4.32Å; I92-L120 HydrophobicContact CD1-CD1 4.18Å; I92-I123 HydrophobicContact CD1-CB 4.38Å; I92-I123 HydrophobicContact CD1-CG2 4.05Å; I92-I123 HydrophobicContact CG1-CG2 3.87Å; I92-P124 PolarHBondContact N-O 3.3Å; I92-V125 HydrophobicContact CB-CG2 4.41Å; I92-V125 CarbonylContact O-C 3.58Å; I92-V125 WeakPolarHBondContact O-CA 3.42Å; I92-L126 PolarHBondContact O-N 3.18Å
93I98.8Very high97.2Very high0 Ų044.6 Ų44.60%021%0.214CC..EExtended strand (participates in β ladder)trans-99.3119.2168.7-52.6175.7000107.9L23 T24 L25 V26 F36 L69 L126 L128 L177L23-I93 HydrophobicContact CD1-CD1 4.18Å; T24-I93 PolarHBondContact O-N 2.8Å; L25-I93 WeakPolarHBondContact CA-O 3.23Å; L25-I93 HydrophobicContact CB-CB 4.47Å; L25-I93 HydrophobicContact CD1-CB 3.65Å; L25-I93 HydrophobicContact CD1-CG2 3.42Å; L25-I93 VanDerWaalsContact CD1-CG2 3.42Å; V26-I93 PolarHBondContact N-O 2.74Å; F36-I93 HydrophobicContact CE1-CD1 4.04Å; L69-I93 HydrophobicContact CD1-CD1 4.26Å; I93-L126 CarbonylContact C-O 3.57Å; I93-L126 WeakPolarHBondContact CA-O 3.32Å; I93-L128 HydrophobicContact CG2-CD1 3.48Å; I93-L128 VanDerWaalsContact CG2-CD1 3.48Å; I93-L128 HydrophobicContact CG2-CG 3.91Å; I93-L177 HydrophobicContact CD1-CD1 3.89Å; I93-L177 HydrophobicContact CD1-CD2 3.91Å; I93-L177 HydrophobicContact CG1-CD2 4.03Å
94Y98.9Very high97.2Very high0 Ų042.6 Ų42.60%021%0.205CC..EExtended strand (participates in β ladder)trans-107.2110.6175.2-166.5-93.6000110.2V26 W82 V96 S107 L111 L126 V127 L128V26-Y94 HydrophobicContact CG2-CD2 3.79Å; V26-Y94 HydrophobicContact CG2-CE2 4.46Å; V26-Y94 WeakPolarHBondContact O-CA 3.34Å; W82-Y94 HydrophobicContact CH2-CE2 4.28Å; W82-Y94 AromaticContact CZ3-CE2 3.83Å; W82-Y94 HydrophobicContact CZ3-CE2 3.83Å; Y94-V96 HydrophobicContact CD1-CG1 3.77Å; Y94-V96 HydrophobicContact CE1-CG1 3.55Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.38Å; Y94-S107 PolarHBondContact OH-O 3.39Å; Y94-S107 PolarHBondContact OH-OG 2.84Å; Y94-L111 HydrophobicContact CD1-CB 4.22Å; Y94-L111 HydrophobicContact CD1-CD1 3.98Å; Y94-L111 HydrophobicContact CD1-CD2 4.19Å; Y94-L111 HydrophobicContact CD1-CG 4.37Å; Y94-L111 HydrophobicContact CD2-CB 4.38Å; Y94-L111 HydrophobicContact CD2-CD1 3.72Å; Y94-L111 HydrophobicContact CE1-CB 3.78Å; Y94-L111 HydrophobicContact CE1-CD1 4.38Å; Y94-L111 HydrophobicContact CE1-CD2 4.38Å; Y94-L111 HydrophobicContact CE1-CG 4.41Å; Y94-L111 HydrophobicContact CE2-CB 4.01Å; Y94-L111 HydrophobicContact CE2-CD1 4.2Å; Y94-L111 HydrophobicContact CG-CD1 3.63Å; Y94-L111 HydrophobicContact CG-CG 4.47Å; Y94-L111 PolarHBondContact OH-N 3.21Å; Y94-L126 PolarHBondContact N-O 2.97Å; Y94-V127 CarbonylContact O-C 3.47Å; Y94-V127 WeakPolarHBondContact O-CA 3.43Å; Y94-L128 PolarHBondContact O-N 2.67Å
95M98.8Very high97.3Very high0 Ų038.1 Ų38.10%019%0.194CC..EExtended strand (participates in β ladder)trans-103.1126.3-175-174.9162.6-70.200112.2L25 V26 S31 K33 F36 L128 N130 I162L25-M95 HydrophobicContact CD1-CB 3.96Å; L25-M95 HydrophobicContact CD1-CE 4.26Å; V26-M95 PolarHBondContact O-N 3.31Å; S31-M95 WeakPolarHBondContact CB-O 2.96Å; S31-M95 WeakPolarHBondContact O-CG 3.32Å; S31-M95 PolarHBondContact OG-O 2.84Å; K33-M95 HydrophobicContact CG-CB 3.89Å; K33-M95 HydrophobicContact CG-CG 4.41Å; K33-M95 HydrophobicContact CG-SD 4.24Å; K33-M95 PolarHBondContact N-SD 3.4Å; K33-M95 VanDerWaalsContact N-SD 3.41Å; F36-M95 HydrophobicContact CB-CE 3.61Å; F36-M95 HydrophobicContact CB-SD 4.18Å; F36-M95 HydrophobicContact CD1-CE 4.24Å; F36-M95 HydrophobicContact CD2-CE 3.99Å; F36-M95 HydrophobicContact CG-CE 3.69Å; M95-L128 WeakPolarHBondContact CA-O 3.35Å; M95-L128 HydrophobicContact CE-CB 3.92Å; M95-L128 HydrophobicContact CE-CD1 3.69Å; M95-L128 HydrophobicContact CE-CG 4.46Å; M95-N130 HydrophobicContact CG-CB 4.1Å; M95-N130 HydrophobicContact SD-CB 4.05Å; M95-I162 HydrophobicContact CE-CD1 4.14Å
96V98.8Very high97.4Very high3 Ų339.1 Ų39.12%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-115.4156173.6-510000110.3Y94 S107 L128 N130 L143 L147Y94-V96 HydrophobicContact CD1-CG1 3.77Å; Y94-V96 HydrophobicContact CE1-CG1 3.55Å; V96-S107 WeakPolarHBondContact CG1-OG 3.29Å; V96-L128 PolarHBondContact N-O 3.23Å; V96-N130 PolarHBondContact O-N 2.99Å; V96-L143 HydrophobicContact CG2-CD2 3.81Å; V96-L147 HydrophobicContact CG1-CD1 4.02Å; V96-L147 HydrophobicContact CG1-CD2 4.34Å; V96-L147 HydrophobicContact CG2-CD1 4.26Å
97D98.5Very high97.4Very high18 Ų1839.3 Ų39.310%0.09621%0.209CC..EExtended strand (participates in β ladder)trans-85.8112.7167.2-174.1-21.8000107.5A99 D100 K131D97-A99 PolarHBondContact O-N 3.36Å; D97-A99 PolarHBondContact OD1-N 2.98Å; D97-D100 HydrophobicContact CB-CB 3.77Å; D97-D100 PolarHBondContact O-N 2.9Å; D97-D100 PolarHBondContact OD1-N 3.48Å; D97-K131 WeakPolarHBondContact OD2-CD 3.32Å; D97-K131 VanDerWaalsContact OD2-CE 3.23Å; D97-K131 WeakPolarHBondContact OD2-CE 3.22Å; D97-K131 IonicContact OD2-NZ 3.61Å; D97-K131 PolarHBondContact OD2-NZ 3.35Å
98A98.7Very high97.6Very high0 Ų036 Ų360%020%0.198CC..THydrogen-bonded Turntrans-69.9-19.5-176.300000112.6N130 A137 L138 L143A98-N130 VanDerWaalsContact CB-O 3.3Å; A98-N130 WeakPolarHBondContact CB-O 3.33Å; A98-N130 PolarHBondContact N-O 3.15Å; A98-A137 HydrophobicContact CB-CB 4.12Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A98-L138 PolarHBondContact O-N 3.34Å; A98-L143 HydrophobicContact CB-CD1 4.47Å
99A98.3Very high98Very high25 Ų2534.4 Ų34.421%0.20718%0.18CC..THydrogen-bonded Turntrans-97.2-9.6179.700000113.5D97 H101 L134 A137D97-A99 PolarHBondContact O-N 3.36Å; D97-A99 PolarHBondContact OD1-N 2.98Å; A99-H101 PolarHBondContact O-N 3.27Å; A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 4.06Å; A99-A137 HydrophobicContact CB-CB 4.18Å
100D98Very high98.2Very high27 Ų2735.8 Ų35.814%0.14419%0.186CC..  trans-96.578.3179.7-168.7-19.1000111.1D97 E102 K103D97-D100 HydrophobicContact CB-CB 3.77Å; D97-D100 PolarHBondContact O-N 2.9Å; D97-D100 PolarHBondContact OD1-N 3.48Å; D100-E102 PolarHBondContact O-N 3.19Å; D100-K103 PolarHBondContact O-N 3.25Å; D100-K103 PolarHBondContact OD1-N 3.4Å; D100-K103 VanDerWaalsContact OD2-CD 3.26Å; D100-K103 WeakPolarHBondContact OD2-CD 3.19Å; D100-K103 WeakPolarHBondContact OD2-CE 3.3Å; D100-K103 WeakPolarHBondContact OD2-CG 3.3Å; D100-K103 IonicContact OD2-NZ 3.77Å; D100-K103 PolarHBondContact OD2-NZ 3.18Å
101H98.2Very high98.3Very high87 Ų8734.2 Ų34.240%0.40318%0.178SC..G310 helixtrans-61.2-31.1-177.5-57.1-62.2000113.5A99 K103 L104 G136 L138A99-H101 PolarHBondContact O-N 3.27Å; H101-K103 PolarHBondContact O-N 3.34Å; H101-L104 PolarHBondContact O-N 3.35Å; H101-G136 PolarHBondContact CE1-O 2.98Å; H101-G136 PolarHBondContact NE2-O 3.16Å; H101-G136 VanDerWaalsContact NE2-O 3.11Å; H101-L138 VanDerWaalsContact CE1-CD2 3.46Å; H101-L138 WeakPolarHBondContact CE1-CD2 3.31Å
102E97.6Very high98.3Very high183 Ų18335.7 Ų35.786%0.85519%0.185SC*.G310 helixtrans-65.2-29.7-178.4-62-175.9170.600112D100D100-E102 PolarHBondContact O-N 3.19Å
103K96.9Very high98.3Very high79 Ų7940.9 Ų40.934%0.34321%0.209SC..G310 helixtrans-92.8-6.8-179-68-166.1-170.1108.70114.4L28 D100 H101 D105 A106 S107L28-K103 HydrophobicContact CD1-CB 3.97Å; L28-K103 HydrophobicContact CD1-CD 4.47Å; D100-K103 PolarHBondContact O-N 3.25Å; D100-K103 PolarHBondContact OD1-N 3.4Å; D100-K103 VanDerWaalsContact OD2-CD 3.26Å; D100-K103 WeakPolarHBondContact OD2-CD 3.19Å; D100-K103 WeakPolarHBondContact OD2-CE 3.3Å; D100-K103 WeakPolarHBondContact OD2-CG 3.3Å; D100-K103 IonicContact OD2-NZ 3.77Å; D100-K103 PolarHBondContact OD2-NZ 3.18Å; H101-K103 PolarHBondContact O-N 3.34Å; K103-D105 PolarHBondContact O-N 3.04Å; K103-A106 PolarHBondContact O-N 2.97Å; K103-S107 VanDerWaalsContact O-CB 3.32Å; K103-S107 WeakPolarHBondContact O-CB 3.33Å; K103-S107 PolarHBondContact O-N 2.64Å
104L97.5Very high98.3Very high2 Ų241.2 Ų41.21%0.0121%0.211CC..Hα-helixtrans-62.3-39.7-175.7-74.8172.3000112.8H101 S107 Q108 L138 L143 R146 L147H101-L104 PolarHBondContact O-N 3.35Å; L104-S107 CarbonylContact O-C 3.44Å; L104-S107 WeakPolarHBondContact O-CB 3.49Å; L104-S107 PolarHBondContact O-N 2.8Å; L104-Q108 WeakPolarHBondContact O-CB 3.46Å; L104-Q108 PolarHBondContact O-N 3.03Å; L104-L138 HydrophobicContact CD1-CD1 3.33Å; L104-L138 HydrophobicContact CD1-CG 4.39Å; L104-L143 HydrophobicContact CD2-CD2 4.32Å; L104-R146 HydrophobicContact CD1-CB 4.33Å; L104-R146 HydrophobicContact CD1-CG 4.48Å; L104-L147 HydrophobicContact CD2-CD2 4.26Å
105D97.9Very high98.3Very high80 Ų8041.9 Ų41.943%0.42821%0.214SC..Hα-helixtrans-68.4-40.8-180-62.4-19.3000111.4K103 S107 Q108 N109 R146K103-D105 PolarHBondContact O-N 3.04Å; D105-S107 VanDerWaalsContact C-N 3.28Å; D105-S107 PolarHBondContact O-N 2.89Å; D105-Q108 PolarHBondContact O-N 3.08Å; D105-N109 PolarHBondContact O-N 3.26Å; D105-N109 PolarHBondContact O-ND2 3.41Å; D105-N109 VanDerWaalsContact O-ND2 3.07Å; D105-R146 IonicContact OD1-CZ 2.71Å; D105-R146 VanDerWaalsContact OD1-CZ 3.29Å; D105-R146 IonicContact OD1-NH1 3.96Å; D105-R146 PolarHBondContact OD1-NH1 3.33Å; D105-R146 IonicContact OD1-NH2 3.89Å; D105-R146 PolarHBondContact OD1-NH2 3.39Å; D105-R146 IonicContact OD2-NH2 2.85Å
106A98.1Very high98.1Very high45 Ų4547.7 Ų47.737%0.37225%0.245SC..Hα-helixtrans-63.1-38.2172.200000111.5L28 K103 E110L28-A106 HydrophobicContact CD1-CB 4.18Å; K103-A106 PolarHBondContact O-N 2.97Å; A106-E110 WeakPolarHBondContact O-CB 3.33Å; A106-E110 WeakPolarHBondContact O-CG 3.31Å; A106-E110 PolarHBondContact O-N 3.09Å; A106-E110 VanDerWaalsContact O-N 3.1Å
107S98.5Very high98Very high3 Ų351.4 Ų51.42%0.02126%0.261CS..Hα-helixtrans-68.5-39.2178.8-161.20000111.8Y94 V96 K103 L104 D105 L111Y94-S107 WeakPolarHBondContact CE1-OG 3.38Å; Y94-S107 PolarHBondContact OH-O 3.39Å; Y94-S107 PolarHBondContact OH-OG 2.84Å; V96-S107 WeakPolarHBondContact CG1-OG 3.29Å; K103-S107 VanDerWaalsContact O-CB 3.32Å; K103-S107 WeakPolarHBondContact O-CB 3.33Å; K103-S107 PolarHBondContact O-N 2.64Å; L104-S107 CarbonylContact O-C 3.44Å; L104-S107 WeakPolarHBondContact O-CB 3.49Å; L104-S107 PolarHBondContact O-N 2.8Å; D105-S107 VanDerWaalsContact C-N 3.28Å; D105-S107 PolarHBondContact O-N 2.89Å; S107-L111 WeakPolarHBondContact O-CB 3.33Å; S107-L111 PolarHBondContact O-N 3.47Å
108Q98.7Very high97.9Very high41 Ų4155.2 Ų55.219%0.19229%0.287CS..Hα-helixtrans-62.4-51.5174.6-177-104.5-25.900110.1L104 D105 E110 L111 H112 L147L104-Q108 WeakPolarHBondContact O-CB 3.46Å; L104-Q108 PolarHBondContact O-N 3.03Å; D105-Q108 PolarHBondContact O-N 3.08Å; Q108-E110 VanDerWaalsContact C-N 3.32Å; Q108-E110 PolarHBondContact O-N 3.49Å; Q108-L111 WeakPolarHBondContact O-CB 3.44Å; Q108-L111 PolarHBondContact O-N 3.12Å; Q108-H112 PolarHBondContact O-CD2 3.12Å; Q108-H112 PolarHBondContact O-N 2.88Å; Q108-L147 HydrophobicContact CB-CD2 4.06Å; Q108-L147 WeakPolarHBondContact CG-O 3.35Å
109N98.5Very high97.7Very high83 Ų8361.1 Ų61.144%0.44431%0.314SS..Hα-helixtrans-55.7-45177.3-74.3-42.1000112.9D105 Q113D105-N109 PolarHBondContact O-N 3.26Å; D105-N109 PolarHBondContact O-ND2 3.41Å; D105-N109 VanDerWaalsContact O-ND2 3.07Å; N109-Q113 VanDerWaalsContact O-CB 3.3Å; N109-Q113 WeakPolarHBondContact O-CB 3.33Å; N109-Q113 WeakPolarHBondContact O-CG 3.36Å; N109-Q113 PolarHBondContact O-N 2.82Å
110E98.6Very high97.6Very high40 Ų4059.9 Ų59.919%0.18730%0.304CS..Hα-helixtrans-68.4-36.3179.5-68.7-80.2-173.800112.8L28 R79 W82 A106 Q108 L114L28-E110 HydrophobicContact CD2-CB 4.36Å; L28-E110 HydrophobicContact CD2-CG 4Å; R79-E110 WeakPolarHBondContact CD-OE1 2.94Å; R79-E110 WeakPolarHBondContact CD-OE2 3.47Å; R79-E110 IonicContact CZ-OE1 3.03Å; R79-E110 IonicContact NE-OE1 3.42Å; R79-E110 IonicContact NH1-OE1 2.65Å; R79-E110 PolarHBondContact NH1-OE1 2.85Å; W82-E110 HydrophobicContact CH2-CB 4.28Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; A106-E110 WeakPolarHBondContact O-CB 3.33Å; A106-E110 WeakPolarHBondContact O-CG 3.31Å; A106-E110 PolarHBondContact O-N 3.09Å; A106-E110 VanDerWaalsContact O-N 3.1Å; Q108-E110 VanDerWaalsContact C-N 3.32Å; Q108-E110 PolarHBondContact O-N 3.49Å; E110-L114 VanDerWaalsContact O-CB 3.29Å; E110-L114 WeakPolarHBondContact O-CB 3.01Å; E110-L114 PolarHBondContact O-N 2.78Å
111L98.8Very high97.5Very high1 Ų164.8 Ų64.81%0.00533%0.326CS..Hα-helixtrans-61.8-53.4173.7174.759.3000110.9Y94 S107 Q108 L114 L115 V127 L149 I152Y94-L111 HydrophobicContact CD1-CB 4.22Å; Y94-L111 HydrophobicContact CD1-CD1 3.98Å; Y94-L111 HydrophobicContact CD1-CD2 4.19Å; Y94-L111 HydrophobicContact CD1-CG 4.37Å; Y94-L111 HydrophobicContact CD2-CB 4.38Å; Y94-L111 HydrophobicContact CD2-CD1 3.72Å; Y94-L111 HydrophobicContact CE1-CB 3.78Å; Y94-L111 HydrophobicContact CE1-CD1 4.38Å; Y94-L111 HydrophobicContact CE1-CD2 4.38Å; Y94-L111 HydrophobicContact CE1-CG 4.41Å; Y94-L111 HydrophobicContact CE2-CB 4.01Å; Y94-L111 HydrophobicContact CE2-CD1 4.2Å; Y94-L111 HydrophobicContact CG-CD1 3.63Å; Y94-L111 HydrophobicContact CG-CG 4.47Å; Y94-L111 PolarHBondContact OH-N 3.21Å; S107-L111 WeakPolarHBondContact O-CB 3.33Å; S107-L111 PolarHBondContact O-N 3.47Å; Q108-L111 WeakPolarHBondContact O-CB 3.44Å; Q108-L111 PolarHBondContact O-N 3.12Å; L111-L114 WeakPolarHBondContact O-CB 3.28Å; L111-L114 PolarHBondContact O-N 3.47Å; L111-L115 HydrophobicContact CD1-CD1 3.6Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 4.12Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.44Å; L111-V127 HydrophobicContact CD2-CG2 4.39Å; L111-L149 HydrophobicContact CD2-CD2 3.52Å; L111-I152 HydrophobicContact CD2-CD1 4.15Å; L111-I152 HydrophobicContact CG-CD1 4.36Å
112H98.7Very high97.4Very high32 Ų3262.7 Ų62.715%0.14833%0.328CS..Hα-helixtrans-64.3-44.1-178.1-76-92.6000111.1Q108 L114 L115 D116 L147 N148Q108-H112 PolarHBondContact O-CD2 3.12Å; Q108-H112 PolarHBondContact O-N 2.88Å; H112-L114 VanDerWaalsContact C-N 3.26Å; H112-L114 PolarHBondContact O-N 3.28Å; H112-L115 PolarHBondContact O-N 3.18Å; H112-L115 VanDerWaalsContact O-N 3.09Å; H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 PolarHBondContact O-N 3.4Å; H112-L147 PolarHBondContact NE2-O 3.17Å; H112-N148 PolarHBondContact CE1-O 3.05Å; H112-N148 VanDerWaalsContact CE1-O 3.27Å; H112-N148 PolarHBondContact NE2-O 3.45Å
113Q98.1Very high97.4Very high109 Ų10954.8 Ų54.851%0.50929%0.292SS..Hα-helixtrans-60-33.9175.3-75.2177.524.900113.8N109 K117N109-Q113 VanDerWaalsContact O-CB 3.3Å; N109-Q113 WeakPolarHBondContact O-CB 3.33Å; N109-Q113 WeakPolarHBondContact O-CG 3.36Å; N109-Q113 PolarHBondContact O-N 2.82Å; Q113-K117 VanDerWaalsContact O-CE 3.32Å; Q113-K117 WeakPolarHBondContact O-CE 3.4Å
114L98.3Very high97.4Very high8 Ų852.1 Ų52.14%0.04228%0.282CS..Hα-helixtrans-70.6-44.9174178.866.2000110.9V26 W82 E110 L111 H112 D116 K117 L120V26-L114 HydrophobicContact CG2-CD2 3.82Å; W82-L114 HydrophobicContact CB-CD1 3.85Å; W82-L114 HydrophobicContact CE3-CD2 4.19Å; E110-L114 VanDerWaalsContact O-CB 3.29Å; E110-L114 WeakPolarHBondContact O-CB 3.01Å; E110-L114 PolarHBondContact O-N 2.78Å; L111-L114 WeakPolarHBondContact O-CB 3.28Å; L111-L114 PolarHBondContact O-N 3.47Å; H112-L114 VanDerWaalsContact C-N 3.26Å; H112-L114 PolarHBondContact O-N 3.28Å; L114-D116 VanDerWaalsContact C-N 3.31Å; L114-D116 PolarHBondContact O-N 2.98Å; L114-K117 WeakPolarHBondContact O-CB 3.11Å; L114-K117 WeakPolarHBondContact O-CG 3.18Å; L114-K117 PolarHBondContact O-N 3.42Å; L114-L120 HydrophobicContact CD1-CD1 3.61Å; L114-L120 HydrophobicContact CG-CD1 3.95Å; L114-L120 WeakPolarHBondContact O-CD1 3.24Å
115L98.1Very high97.5Very high13 Ų1352 Ų527%0.06828%0.282CS..Hα-helixtrans-77.7-16.9-175.3-61.7-175.8000114I92 L111 H112 K117 V125 I152 R155I92-L115 HydrophobicContact CD1-CD2 4.32Å; L111-L115 HydrophobicContact CD1-CD1 3.6Å; L111-L115 HydrophobicContact CD1-CG 3.93Å; L111-L115 HydrophobicContact CG-CD1 4.12Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.44Å; H112-L115 PolarHBondContact O-N 3.18Å; H112-L115 VanDerWaalsContact O-N 3.09Å; L115-K117 PolarHBondContact O-N 2.91Å; L115-V125 HydrophobicContact CD1-CG2 4.03Å; L115-V125 HydrophobicContact CD2-CG2 3.57Å; L115-V125 HydrophobicContact CG-CG2 4.47Å; L115-I152 HydrophobicContact CD1-CD1 3.58Å; L115-I152 HydrophobicContact CD1-CG1 4.14Å; L115-I152 HydrophobicContact CD1-CG2 3.96Å; L115-R155 PolarHBondContact O-NH2 3.42Å
116D96.3Very high97.5Very high123 Ų12348.2 Ų48.266%0.65826%0.261SS*.THydrogen-bonded Turntrans-70.1-9.3169.6-74.6-15.4000113.1H112 L114 P118H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 PolarHBondContact O-N 3.4Å; L114-D116 VanDerWaalsContact C-N 3.31Å; L114-D116 PolarHBondContact O-N 2.98Å; D116-P118 VanDerWaalsContact O-CD 3.3Å; D116-P118 WeakPolarHBondContact O-CD 3.34Å
117K96.7Very high97.6Very high81 Ų8146.1 Ų46.135%0.35224%0.244SC..  trans-72.5119.6179.5-58.9-53.5-179.1-160.90110.5E83 Q113 L114 L115 H119 L120E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4.08Å; E83-K117 HydrophobicContact CG-CG 3.93Å; E83-K117 WeakPolarHBondContact OE2-CD 2.98Å; Q113-K117 VanDerWaalsContact O-CE 3.32Å; Q113-K117 WeakPolarHBondContact O-CE 3.4Å; L114-K117 WeakPolarHBondContact O-CB 3.11Å; L114-K117 WeakPolarHBondContact O-CG 3.18Å; L114-K117 PolarHBondContact O-N 3.42Å; L115-K117 PolarHBondContact O-N 2.91Å; K117-H119 PolarHBondContact O-N 3.15Å; K117-H119 VanDerWaalsContact O-N 3.14Å; K117-L120 HydrophobicContact CB-CD1 4.14Å; K117-L120 HydrophobicContact CB-CG 3.98Å; K117-L120 PolarHBondContact O-N 2.87Å
118P94.5Very high97.6Very high98 Ų9846 Ų4664%0.63624%0.243SC*.G310 helixtrans-57.7-34.4-176.7-27.135.2000113.9D116 L120 E121D116-P118 VanDerWaalsContact O-CD 3.3Å; D116-P118 WeakPolarHBondContact O-CD 3.34Å; P118-L120 PolarHBondContact O-N 2.71Å; P118-L120 VanDerWaalsContact O-N 3.11Å; P118-E121 VanDerWaalsContact O-CB 3.27Å; P118-E121 WeakPolarHBondContact O-CB 3.34Å; P118-E121 PolarHBondContact O-N 3.48Å; P118-E121 VanDerWaalsContact O-N 3.1Å
119H94.4Very high97.6Very high123 Ų12344 Ų4457%0.56923%0.234SC*.G310 helixtrans-66.6-11.6178-58.8101.3000114.2E83 R87 K117E83-H119 IonicContact OE1-ND1 3.45Å; E83-H119 PolarHBondContact OE1-ND1 3.44Å; R87-H119 HydrophobicContact CG-CB 4.24Å; K117-H119 PolarHBondContact O-N 3.15Å; K117-H119 VanDerWaalsContact O-N 3.14Å
120L97.2Very high97.6Very high0 Ų040.3 Ų40.30%021%0.214CC..G310 helixtrans-105.54.3178-51-171.6000111.9E83 C86 R87 I92 L114 K117 P118 I123 R155E83-L120 HydrophobicContact CG-CD1 4.49Å; E83-L120 HydrophobicContact CG-CG 4.5Å; C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.73Å; C86-L120 HydrophobicContact CB-CD2 3.68Å; C86-L120 HydrophobicContact CB-CG 4.38Å; C86-L120 WeakPolarHBondContact O-CD2 3.24Å; R87-L120 HydrophobicContact CG-CD2 3.96Å; I92-L120 HydrophobicContact CD1-CD1 4.18Å; L114-L120 HydrophobicContact CD1-CD1 3.61Å; L114-L120 HydrophobicContact CG-CD1 3.95Å; L114-L120 WeakPolarHBondContact O-CD1 3.24Å; K117-L120 HydrophobicContact CB-CD1 4.14Å; K117-L120 HydrophobicContact CB-CG 3.98Å; K117-L120 PolarHBondContact O-N 2.87Å; P118-L120 PolarHBondContact O-N 2.71Å; P118-L120 VanDerWaalsContact O-N 3.11Å; L120-I123 HydrophobicContact CB-CD1 4.35Å; L120-I123 HydrophobicContact CD2-CD1 4.17Å; L120-I123 WeakPolarHBondContact O-CB 3.39Å; L120-I123 WeakPolarHBondContact O-CG1 3.11Å; L120-I123 PolarHBondContact O-N 2.96Å; L120-R155 VanDerWaalsContact O-CZ 3.28Å; L120-R155 PolarHBondContact O-NH1 2.97Å; L120-R155 PolarHBondContact O-NH2 2.85Å
121E95.8Very high97.6Very high129 Ų12940.2 Ų40.260%0.60321%0.213SC*.THydrogen-bonded Turntrans-55.7141.3179.2-173.4171.7-165.700111.5P118 I123P118-E121 VanDerWaalsContact O-CB 3.27Å; P118-E121 WeakPolarHBondContact O-CB 3.34Å; P118-E121 PolarHBondContact O-N 3.48Å; P118-E121 VanDerWaalsContact O-N 3.1Å; E121-I123 PolarHBondContact O-N 3.1Å
122G96Very high97.5Very high43 Ų4344.8 Ų44.844%0.44323%0.23SC..THydrogen-bonded Turntrans73.2-15.4179.900000115.9P124 N154G122-P124 WeakPolarHBondContact O-CD 3.49Å; G122-N154 WeakPolarHBondContact CA-O 3.34Å; G122-N154 PolarHBondContact N-O 3.25Å
123I97.1Very high97.5Very high18 Ų1845.8 Ų45.89%0.09224%0.236CC..  trans-66.8123.3179.5-56.3-178.3000109.6C86 V89 I92 L120 E121 R155C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.3Å; V89-I123 HydrophobicContact CG2-CD1 4.46Å; V89-I123 HydrophobicContact CG2-CG2 3.75Å; I92-I123 HydrophobicContact CD1-CB 4.38Å; I92-I123 HydrophobicContact CD1-CG2 4.05Å; I92-I123 HydrophobicContact CG1-CG2 3.87Å; L120-I123 HydrophobicContact CB-CD1 4.35Å; L120-I123 HydrophobicContact CD2-CD1 4.17Å; L120-I123 WeakPolarHBondContact O-CB 3.39Å; L120-I123 WeakPolarHBondContact O-CG1 3.11Å; L120-I123 PolarHBondContact O-N 2.96Å; E121-I123 PolarHBondContact O-N 3.1Å; I123-R155 PolarHBondContact O-NH1 3.32Å
124P98.2Very high97.5Very high23 Ų2343.9 Ų43.915%0.14923%0.23CC..  trans-58.5144176.9-25.334.6000112.7N90 A91 I92 G122 E156 W176N90-P124 WeakPolarHBondContact O-CD 3.17Å; A91-P124 CarbonylContact C-O 3.58Å; A91-P124 WeakPolarHBondContact CA-O 3.5Å; A91-P124 HydrophobicContact CB-CB 4.25Å; I92-P124 PolarHBondContact N-O 3.3Å; G122-P124 WeakPolarHBondContact O-CD 3.49Å; P124-E156 WeakPolarHBondContact CA-O 3.2Å; P124-E156 HydrophobicContact CB-CB 4.34Å; P124-W176 HydrophobicContact CB-CH2 3.84Å; P124-W176 HydrophobicContact CB-CZ2 4.39Å
125V98.7Very high97.4Very high0 Ų049.4 Ų49.40%027%0.266CS..EExtended strand (participates in β ladder)trans-122126.2-179.6-179.50000110.5I92 L115 V127 E156 I157 C158I92-V125 HydrophobicContact CB-CG2 4.41Å; I92-V125 CarbonylContact O-C 3.58Å; I92-V125 WeakPolarHBondContact O-CA 3.42Å; L115-V125 HydrophobicContact CD1-CG2 4.03Å; L115-V125 HydrophobicContact CD2-CG2 3.57Å; L115-V125 HydrophobicContact CG-CG2 4.47Å; V125-V127 HydrophobicContact CG1-CG2 4.08Å; V125-E156 PolarHBondContact N-O 3.02Å; V125-I157 HydrophobicContact CB-CD1 4.42Å; V125-I157 HydrophobicContact CB-CG1 4.23Å; V125-I157 HydrophobicContact CG1-CD1 4.37Å; V125-I157 HydrophobicContact CG1-CG1 4.44Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.41Å; V125-C158 PolarHBondContact O-N 3.4Å
126L98.8Very high97.4Very high0 Ų051.3 Ų51.30%029%0.288CS..EExtended strand (participates in β ladder)trans-106.7111.4168.8-176.462.2000109.8I92 I93 Y94 L128 C158 Y160 T173 W176 L177I92-L126 PolarHBondContact O-N 3.18Å; I93-L126 CarbonylContact C-O 3.57Å; I93-L126 WeakPolarHBondContact CA-O 3.32Å; Y94-L126 PolarHBondContact N-O 2.97Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD2-CD2 3.97Å; L126-L128 HydrophobicContact CD2-CG 4.35Å; L126-L128 HydrophobicContact CG-CD2 3.85Å; L126-L128 HydrophobicContact CG-CG 4.15Å; L126-C158 HydrophobicContact CD1-CB 3.88Å; L126-Y160 HydrophobicContact CD1-CD2 3.82Å; L126-Y160 HydrophobicContact CD1-CE2 4.01Å; L126-T173 HydrophobicContact CD2-CG2 3.93Å; L126-W176 HydrophobicContact CB-CE3 3.93Å; L126-W176 HydrophobicContact CB-CH2 3.99Å; L126-W176 HydrophobicContact CB-CZ3 3.62Å; L126-W176 HydrophobicContact CD1-CD2 4.05Å; L126-W176 HydrophobicContact CD1-CE3 4.13Å; L126-W176 HydrophobicContact CD1-CG 4.4Å; L126-W176 HydrophobicContact CD2-CD2 4.4Å; L126-W176 HydrophobicContact CD2-CE3 3.79Å; L126-W176 HydrophobicContact CD2-CZ3 4.26Å; L126-W176 HydrophobicContact CG-CE3 4.17Å; L126-W176 HydrophobicContact CG-CZ3 4.37Å; L126-L177 HydrophobicContact CD2-CD2 3.9Å; L126-L177 HydrophobicContact CD2-CG 4.04Å
127V98.9Very high97.5Very high0 Ų046.5 Ų46.50%027%0.266CS..EExtended strand (participates in β ladder)trans-87.2126.5173.1-177.90000109Y94 L111 V125 L147 L149 I157 C158 C159 Y160Y94-V127 CarbonylContact O-C 3.47Å; Y94-V127 WeakPolarHBondContact O-CA 3.43Å; L111-V127 HydrophobicContact CD2-CG2 4.39Å; V125-V127 HydrophobicContact CG1-CG2 4.08Å; V127-L147 HydrophobicContact CG1-CD1 3.66Å; V127-L149 HydrophobicContact CB-CD1 4.09Å; V127-L149 HydrophobicContact CG1-CD1 4.26Å; V127-L149 HydrophobicContact CG2-CD1 3.89Å; V127-L149 HydrophobicContact CG2-CD2 4.02Å; V127-I157 HydrophobicContact CG2-CD1 4.19Å; V127-I157 HydrophobicContact CG2-CG1 4.4Å; V127-C158 PolarHBondContact N-O 3.48Å; V127-C159 HydrophobicContact CB-CB 4.31Å; V127-C159 VanDerWaalsContact O-CA 3.31Å; V127-C159 WeakPolarHBondContact O-CA 3.5Å; V127-Y160 PolarHBondContact O-N 3.21Å
128L98.9Very high97.6Very high0 Ų043.3 Ų43.30%025%0.252CS..EExtended strand (participates in β ladder)trans-117.3112.2177.6-62.5179.9000109.7F36 I93 Y94 M95 V96 L126 N130 Y160 I162 T173F36-L128 HydrophobicContact CD2-CD1 4.36Å; F36-L128 HydrophobicContact CE1-CD1 4.38Å; F36-L128 HydrophobicContact CE2-CD1 3.93Å; F36-L128 HydrophobicContact CZ-CD1 3.94Å; I93-L128 HydrophobicContact CG2-CD1 3.48Å; I93-L128 VanDerWaalsContact CG2-CD1 3.48Å; I93-L128 HydrophobicContact CG2-CG 3.91Å; Y94-L128 PolarHBondContact O-N 2.67Å; M95-L128 WeakPolarHBondContact CA-O 3.35Å; M95-L128 HydrophobicContact CE-CB 3.92Å; M95-L128 HydrophobicContact CE-CD1 3.69Å; M95-L128 HydrophobicContact CE-CG 4.46Å; V96-L128 PolarHBondContact N-O 3.23Å; L126-L128 HydrophobicContact CD1-CD2 4.26Å; L126-L128 HydrophobicContact CD2-CD2 3.97Å; L126-L128 HydrophobicContact CD2-CG 4.35Å; L126-L128 HydrophobicContact CG-CD2 3.85Å; L126-L128 HydrophobicContact CG-CG 4.15Å; L128-N130 PolarHBondContact O-N 2.77Å; L128-Y160 WeakPolarHBondContact CA-O 3.38Å; L128-Y160 HydrophobicContact CD2-CD2 4.42Å; L128-I162 HydrophobicContact CB-CD1 4.12Å; L128-I162 HydrophobicContact CB-CG1 4.49Å; L128-I162 HydrophobicContact CD1-CD1 4.01Å; L128-I162 HydrophobicContact CD2-CD1 4.48Å; L128-I162 HydrophobicContact CD2-CG2 4.12Å; L128-I162 HydrophobicContact CG-CD1 4.43Å; L128-T173 HydrophobicContact CD1-CG2 3.96Å; L128-T173 HydrophobicContact CD2-CG2 3.96Å
129G98.8Very high97.8Very high0 Ų041.3 Ų41.30%024%0.237CC..EExtended strand (participates in β ladder)trans-81.596.8166.100000109.8Y160 S161 I162G129-Y160 PolarHBondContact N-O 2.87Å; G129-S161 CarbonylContact O-C 3.52Å; G129-S161 WeakPolarHBondContact O-CA 3.35Å; G129-I162 PolarHBondContact O-N 3.19Å
130N98.7Very high98Very high6 Ų637.7 Ų37.73%0.03222%0.22CC..EExtended strand (participates in β ladder)trans-85.6164.3-178.5-175.639.5000111.7S31 M95 V96 A98 L128 I162 C164S31-N130 WeakPolarHBondContact O-CB 3.31Å; S31-N130 PolarHBondContact O-ND2 2.78Å; M95-N130 HydrophobicContact CG-CB 4.1Å; M95-N130 HydrophobicContact SD-CB 4.05Å; V96-N130 PolarHBondContact O-N 2.99Å; A98-N130 VanDerWaalsContact CB-O 3.3Å; A98-N130 WeakPolarHBondContact CB-O 3.33Å; A98-N130 PolarHBondContact N-O 3.15Å; L128-N130 PolarHBondContact O-N 2.77Å; N130-I162 CarbonylContact C-O 3.6Å; N130-I162 WeakPolarHBondContact CA-O 3.39Å; N130-I162 HydrophobicContact CB-CD1 4.47Å; N130-I162 HydrophobicContact CB-CG1 4.12Å; N130-C164 PolarHBondContact OD1-N 2.85Å; N130-C164 VanDerWaalsContact OD1-N 3.08Å; N130-C164 PolarHBondContact OD1-SG 3.46Å
131K97.8Very high98Very high37 Ų3744.8 Ų44.816%0.16126%0.255CS..  trans69.735.4-179.4-43.5-171.3-166.5169.80113.8N30 D97 D133 L134 A137 I162N30-K131 PolarHBondContact ND2-NZ 2.8Å; N30-K131 VanDerWaalsContact ND2-NZ 3.16Å; N30-K131 VanDerWaalsContact O-CE 3.25Å; N30-K131 WeakPolarHBondContact O-CE 3.48Å; N30-K131 PolarHBondContact O-NZ 3.09Å; D97-K131 WeakPolarHBondContact OD2-CD 3.32Å; D97-K131 VanDerWaalsContact OD2-CE 3.23Å; D97-K131 WeakPolarHBondContact OD2-CE 3.22Å; D97-K131 IonicContact OD2-NZ 3.61Å; D97-K131 PolarHBondContact OD2-NZ 3.35Å; K131-D133 WeakPolarHBondContact CA-OD1 3.27Å; K131-D133 PolarHBondContact O-N 3.38Å; K131-D133 VanDerWaalsContact O-N 3.14Å; K131-L134 HydrophobicContact CB-CD1 3.78Å; K131-L134 HydrophobicContact CB-CG 4.03Å; K131-L134 HydrophobicContact CD-CD1 3.8Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.17Å; K131-L134 PolarHBondContact O-N 2.87Å; K131-A137 WeakPolarHBondContact O-CB 3.44Å; K131-I162 PolarHBondContact N-O 3.03Å; K131-I162 VanDerWaalsContact N-O 3.11Å
132R97.9Very high98.2Very high98 Ų9842.5 Ų42.537%0.3724%0.244SC..THydrogen-bonded Turntrans-56.2-24.2172.6-172.1-178.9-176.6136.88.4113.3L134 E140 S161 I162R132-L134 PolarHBondContact O-N 3Å; R132-E140 IonicContact CZ-OE2 2.67Å; R132-E140 IonicContact NH1-OE1 2.78Å; R132-E140 PolarHBondContact NH1-OE1 2.99Å; R132-E140 IonicContact NH1-OE2 3.29Å; R132-E140 PolarHBondContact NH1-OE2 3.41Å; R132-E140 IonicContact NH2-OE2 3.86Å; R132-S161 WeakPolarHBondContact CD-OG 3.47Å; R132-S161 WeakPolarHBondContact CG-OG 3.39Å; R132-I162 WeakPolarHBondContact CB-O 3.4Å; R132-I162 PolarHBondContact N-O 2.84Å
133D97.5Very high98.3Very high52 Ų5240.5 Ų40.528%0.27822%0.223SC..THydrogen-bonded Turntrans-66.7-17.2175.656.9-75000113.8K131 S163 E166K131-D133 WeakPolarHBondContact CA-OD1 3.27Å; K131-D133 PolarHBondContact O-N 3.38Å; K131-D133 VanDerWaalsContact O-N 3.14Å; D133-S163 VanDerWaalsContact CG-OG 3.32Å; D133-S163 WeakPolarHBondContact OD1-CB 3.35Å; D133-S163 PolarHBondContact OD1-OG 3.33Å; D133-E166 HydrophobicContact CB-CG 3.79Å
134L98Very high98.4Very high70 Ų7042.9 Ų42.937%0.36624%0.236SC..SBendtrans-84146.1-179.8-62.9-176.7000112.1A99 K131 R132 G136 A137A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 4.06Å; K131-L134 HydrophobicContact CB-CD1 3.78Å; K131-L134 HydrophobicContact CB-CG 4.03Å; K131-L134 HydrophobicContact CD-CD1 3.8Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.17Å; K131-L134 PolarHBondContact O-N 2.87Å; R132-L134 PolarHBondContact O-N 3Å; L134-G136 PolarHBondContact O-N 3.22Å; L134-A137 VanDerWaalsContact O-CB 3.26Å; L134-A137 WeakPolarHBondContact O-CB 3.5Å; L134-A137 PolarHBondContact O-N 2.94Å
135P97.4Very high98.4Very high124 Ų12449.1 Ų49.181%0.80526%0.263SS*.THydrogen-bonded Turntrans-62.2138175.527.2-34.8000111A137P135-A137 VanDerWaalsContact C-N 3.27Å; P135-A137 PolarHBondContact O-N 3.3Å
136G97.3Very high98.4Very high52 Ų5253.5 Ų53.554%0.53628%0.279SS..THydrogen-bonded Turntrans81.8-2.1-177.800000114.5H101 L134 L138H101-G136 PolarHBondContact CE1-O 2.98Å; H101-G136 PolarHBondContact NE2-O 3.16Å; H101-G136 VanDerWaalsContact NE2-O 3.11Å; L134-G136 PolarHBondContact O-N 3.22Å; G136-L138 PolarHBondContact O-N 3.22Å
137A98.5Very high98.4Very high23 Ų2353.5 Ų53.519%0.1928%0.279CS..  trans-57.3131.9176.800000112A98 A99 K131 L134 P135A98-A137 HydrophobicContact CB-CB 4.12Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A99-A137 HydrophobicContact CB-CB 4.18Å; K131-A137 WeakPolarHBondContact O-CB 3.44Å; L134-A137 VanDerWaalsContact O-CB 3.26Å; L134-A137 WeakPolarHBondContact O-CB 3.5Å; L134-A137 PolarHBondContact O-N 2.94Å; P135-A137 VanDerWaalsContact C-N 3.27Å; P135-A137 PolarHBondContact O-N 3.3Å
138L98.6Very high98.3Very high13 Ų1356.7 Ų56.77%0.06830%0.296CS..  trans-70.1140.6177.4-62.4-172.6000111.9A98 H101 L104 G136 Q142 L143 R146 S161A98-L138 PolarHBondContact O-N 3.34Å; H101-L138 VanDerWaalsContact CE1-CD2 3.46Å; H101-L138 WeakPolarHBondContact CE1-CD2 3.31Å; L104-L138 HydrophobicContact CD1-CD1 3.33Å; L104-L138 HydrophobicContact CD1-CG 4.39Å; G136-L138 PolarHBondContact O-N 3.22Å; L138-Q142 HydrophobicContact CB-CB 3.93Å; L138-Q142 HydrophobicContact CD1-CB 4.27Å; L138-Q142 HydrophobicContact CD2-CB 3.94Å; L138-Q142 HydrophobicContact CD2-CG 4.43Å; L138-Q142 HydrophobicContact CG-CB 4.26Å; L138-L143 HydrophobicContact CB-CD2 4Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 4.19Å; L138-R146 HydrophobicContact CD1-CB 4.33Å; L138-R146 HydrophobicContact CD1-CG 3.9Å; L138-S161 PolarHBondContact O-OG 3.38Å
139D98.4Very high98.3Very high57 Ų5757 Ų5731%0.30530%0.298SS..  trans-78.8177.8168.471.524.6000112.2M141 Q142 L143D139-M141 VanDerWaalsContact C-N 3.32Å; D139-M141 PolarHBondContact O-N 3.15Å; D139-M141 PolarHBondContact OD1-N 2.84Å; D139-Q142 PolarHBondContact O-N 3.23Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.37Å; D139-Q142 PolarHBondContact OD1-N 3.16Å; D139-L143 WeakPolarHBondContact O-CB 3.14Å; D139-L143 WeakPolarHBondContact O-CD1 3.48Å; D139-L143 WeakPolarHBondContact O-CG 3.39Å; D139-L143 PolarHBondContact O-N 3.43Å
140E98.5Very high98.2Very high46 Ų4661.6 Ų61.622%0.21533%0.33CS..Hα-helixtrans-57.8-40.9-179.8-68.882177.200113.1R132 L143 I144 S161R132-E140 IonicContact CZ-OE2 2.67Å; R132-E140 IonicContact NH1-OE1 2.78Å; R132-E140 PolarHBondContact NH1-OE1 2.99Å; R132-E140 IonicContact NH1-OE2 3.29Å; R132-E140 PolarHBondContact NH1-OE2 3.41Å; R132-E140 IonicContact NH2-OE2 3.86Å; E140-L143 PolarHBondContact O-N 3.27Å; E140-I144 WeakPolarHBondContact O-CB 3.42Å; E140-I144 WeakPolarHBondContact O-CD1 3.07Å; E140-I144 WeakPolarHBondContact O-CG1 3.49Å; E140-I144 PolarHBondContact O-N 3.08Å; E140-S161 VanDerWaalsContact CD-CB 3.46Å; E140-S161 VanDerWaalsContact OE1-CB 3.32Å; E140-S161 WeakPolarHBondContact OE1-CB 3.31Å; E140-S161 PolarHBondContact OE1-N 2.94Å
141M98.6Very high98.2Very high150 Ų15063.6 Ų63.674%0.73935%0.348SS*.Hα-helixtrans-67.8-45.5-178-71.2-176.959.900110.8D139 L143 I144 E145D139-M141 VanDerWaalsContact C-N 3.32Å; D139-M141 PolarHBondContact O-N 3.15Å; D139-M141 PolarHBondContact OD1-N 2.84Å; M141-L143 VanDerWaalsContact C-N 3.34Å; M141-L143 PolarHBondContact O-N 2.76Å; M141-I144 PolarHBondContact O-N 3.17Å; M141-E145 PolarHBondContact O-N 2.86Å; M141-E145 VanDerWaalsContact O-N 3.1Å
142Q98.7Very high98.2Very high81 Ų8162.9 Ų62.938%0.37935%0.345SS..Hα-helixtrans-65.1-37.6177.5-65.7174.3-54.600111.8L138 D139 E145 R146L138-Q142 HydrophobicContact CB-CB 3.93Å; L138-Q142 HydrophobicContact CD1-CB 4.27Å; L138-Q142 HydrophobicContact CD2-CB 3.94Å; L138-Q142 HydrophobicContact CD2-CG 4.43Å; L138-Q142 HydrophobicContact CG-CB 4.26Å; D139-Q142 PolarHBondContact O-N 3.23Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.37Å; D139-Q142 PolarHBondContact OD1-N 3.16Å; Q142-E145 PolarHBondContact O-N 3.46Å; Q142-R146 VanDerWaalsContact O-CB 3.31Å; Q142-R146 WeakPolarHBondContact O-CB 3.39Å; Q142-R146 VanDerWaalsContact O-CG 3.24Å; Q142-R146 WeakPolarHBondContact O-CG 3.34Å; Q142-R146 PolarHBondContact O-N 3.07Å
143L98.8Very high98Very high0 Ų065 Ų650%036%0.359CS..Hα-helixtrans-66.3-42.5174.8-73.3166.8000112.2V96 A98 L104 L138 D139 E140 M141 E145 R146 L147V96-L143 HydrophobicContact CG2-CD2 3.81Å; A98-L143 HydrophobicContact CB-CD1 4.47Å; L104-L143 HydrophobicContact CD2-CD2 4.32Å; L138-L143 HydrophobicContact CB-CD2 4Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 4.19Å; D139-L143 WeakPolarHBondContact O-CB 3.14Å; D139-L143 WeakPolarHBondContact O-CD1 3.48Å; D139-L143 WeakPolarHBondContact O-CG 3.39Å; D139-L143 PolarHBondContact O-N 3.43Å; E140-L143 PolarHBondContact O-N 3.27Å; M141-L143 VanDerWaalsContact C-N 3.34Å; M141-L143 PolarHBondContact O-N 2.76Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 2.91Å; L143-R146 PolarHBondContact O-N 3.24Å; L143-L147 VanDerWaalsContact O-CB 3.27Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.14Å; L143-L147 PolarHBondContact O-N 3.44Å
144I98.7Very high97.9Very high69 Ų6968.3 Ų68.335%0.35438%0.377SS..Hα-helixtrans-57-44.3175.8-74.3161.8000110.5E140 M141 N148 L149 C159E140-I144 WeakPolarHBondContact O-CB 3.42Å; E140-I144 WeakPolarHBondContact O-CD1 3.07Å; E140-I144 WeakPolarHBondContact O-CG1 3.49Å; E140-I144 PolarHBondContact O-N 3.08Å; M141-I144 PolarHBondContact O-N 3.17Å; I144-N148 PolarHBondContact O-N 3.4Å; I144-L149 HydrophobicContact CG1-CD1 4Å; I144-L149 HydrophobicContact CG2-CB 4.38Å; I144-L149 PolarHBondContact O-N 2.89Å; I144-C159 HydrophobicContact CD1-CB 4.33Å; I144-C159 HydrophobicContact CG1-CB 3.96Å
145E98.5Very high97.9Very high153 Ų15366.8 Ų66.872%0.71537%0.366SS*.Hα-helixtrans-68.3-53.9177.2-174.8178.3-173.400111.7M141 Q142 L143 L147 N148M141-E145 PolarHBondContact O-N 2.86Å; M141-E145 VanDerWaalsContact O-N 3.1Å; Q142-E145 PolarHBondContact O-N 3.46Å; L143-E145 VanDerWaalsContact C-N 3.27Å; L143-E145 PolarHBondContact O-N 2.91Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 2.78Å; E145-N148 PolarHBondContact O-N 3.35Å
146R98.2Very high97.9Very high92 Ų9264.8 Ų64.835%0.34735%0.346SS..Hα-helixtrans-65.7-32-174.2-70.6-66.7-71.6110.5-6.7113.5L104 D105 L138 Q142 L143 N148L104-R146 HydrophobicContact CD1-CB 4.33Å; L104-R146 HydrophobicContact CD1-CG 4.48Å; D105-R146 IonicContact OD1-CZ 2.71Å; D105-R146 VanDerWaalsContact OD1-CZ 3.29Å; D105-R146 IonicContact OD1-NH1 3.96Å; D105-R146 PolarHBondContact OD1-NH1 3.33Å; D105-R146 IonicContact OD1-NH2 3.89Å; D105-R146 PolarHBondContact OD1-NH2 3.39Å; D105-R146 IonicContact OD2-NH2 2.85Å; L138-R146 HydrophobicContact CD1-CB 4.33Å; L138-R146 HydrophobicContact CD1-CG 3.9Å; Q142-R146 VanDerWaalsContact O-CB 3.31Å; Q142-R146 WeakPolarHBondContact O-CB 3.39Å; Q142-R146 VanDerWaalsContact O-CG 3.24Å; Q142-R146 WeakPolarHBondContact O-CG 3.34Å; Q142-R146 PolarHBondContact O-N 3.07Å; L143-R146 PolarHBondContact O-N 3.24Å; R146-N148 VanDerWaalsContact C-N 3.34Å
147L98.7Very high97.9Very high0 Ų064.7 Ų64.70%033%0.333CS..THydrogen-bonded Turntrans-90.5-0.5175.6-60.3175000112.8V96 L104 Q108 H112 V127 L143 E145 L149V96-L147 HydrophobicContact CG1-CD1 4.02Å; V96-L147 HydrophobicContact CG1-CD2 4.34Å; V96-L147 HydrophobicContact CG2-CD1 4.26Å; L104-L147 HydrophobicContact CD2-CD2 4.26Å; Q108-L147 HydrophobicContact CB-CD2 4.06Å; Q108-L147 WeakPolarHBondContact CG-O 3.35Å; H112-L147 PolarHBondContact NE2-O 3.17Å; V127-L147 HydrophobicContact CG1-CD1 3.66Å; L143-L147 VanDerWaalsContact O-CB 3.27Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.14Å; L143-L147 PolarHBondContact O-N 3.44Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 2.78Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 HydrophobicContact CB-CD2 3.52Å; L147-L149 HydrophobicContact CB-CG 3.9Å; L147-L149 HydrophobicContact CD1-CD2 4.33Å; L147-L149 PolarHBondContact O-N 2.88Å
148N98.5Very high97.9Very high67 Ų6764.9 Ų64.936%0.35833%0.332SS..THydrogen-bonded Turntrans50.448.3-177.3-170.225.3000112.2H112 I144 E145 R146 S150 A151H112-N148 PolarHBondContact CE1-O 3.05Å; H112-N148 VanDerWaalsContact CE1-O 3.27Å; H112-N148 PolarHBondContact NE2-O 3.45Å; I144-N148 PolarHBondContact O-N 3.4Å; E145-N148 PolarHBondContact O-N 3.35Å; R146-N148 VanDerWaalsContact C-N 3.34Å; N148-S150 PolarHBondContact O-N 2.85Å; N148-A151 VanDerWaalsContact ND2-CB 3.33Å; N148-A151 WeakPolarHBondContact ND2-CB 3.32Å; N148-A151 PolarHBondContact O-N 2.89Å
149L98.7Very high97.9Very high7 Ų765 Ų654%0.03733%0.334CS..G310 helixtrans-68.9-24.1-174.5-58.3-171.2000112.4L111 V127 I144 L147 A151 I152 I157 C159L111-L149 HydrophobicContact CD2-CD2 3.52Å; V127-L149 HydrophobicContact CB-CD1 4.09Å; V127-L149 HydrophobicContact CG1-CD1 4.26Å; V127-L149 HydrophobicContact CG2-CD1 3.89Å; V127-L149 HydrophobicContact CG2-CD2 4.02Å; I144-L149 HydrophobicContact CG1-CD1 4Å; I144-L149 HydrophobicContact CG2-CB 4.38Å; I144-L149 PolarHBondContact O-N 2.89Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 HydrophobicContact CB-CD2 3.52Å; L147-L149 HydrophobicContact CB-CG 3.9Å; L147-L149 HydrophobicContact CD1-CD2 4.33Å; L147-L149 PolarHBondContact O-N 2.88Å; L149-A151 PolarHBondContact O-N 3.03Å; L149-I152 HydrophobicContact CD2-CD1 3.92Å; L149-I152 WeakPolarHBondContact O-CB 3.48Å; L149-I152 PolarHBondContact O-N 2.79Å; L149-I152 VanDerWaalsContact O-N 3.16Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 4.02Å; L149-I157 HydrophobicContact CG-CD1 4.43Å; L149-C159 HydrophobicContact CD1-CB 3.87Å
150S97.1Very high97.9Very high96 Ų9664.7 Ų64.767%0.67133%0.329SS*.G310 helixtrans-66.4-21.717653.90000113.7N148 I152N148-S150 PolarHBondContact O-N 2.85Å; S150-I152 VanDerWaalsContact C-N 3.3Å
151A97.8Very high97.9Very high49 Ų4962.5 Ų62.541%0.40532%0.319SS..G310 helixtrans-78.5-14.4174.800000113.1N148 L149 Q153N148-A151 VanDerWaalsContact ND2-CB 3.33Å; N148-A151 WeakPolarHBondContact ND2-CB 3.32Å; N148-A151 PolarHBondContact O-N 2.89Å; L149-A151 PolarHBondContact O-N 3.03Å; A151-Q153 PolarHBondContact O-N 2.79Å
152I98Very high97.9Very high21 Ų2155.4 Ų55.411%0.10828%0.284CS..  trans-78117.7178.8-62.7165.3000108.7L111 L115 L149 S150 R155 I157L111-I152 HydrophobicContact CD2-CD1 4.15Å; L111-I152 HydrophobicContact CG-CD1 4.36Å; L115-I152 HydrophobicContact CD1-CD1 3.58Å; L115-I152 HydrophobicContact CD1-CG1 4.14Å; L115-I152 HydrophobicContact CD1-CG2 3.96Å; L149-I152 HydrophobicContact CD2-CD1 3.92Å; L149-I152 WeakPolarHBondContact O-CB 3.48Å; L149-I152 PolarHBondContact O-N 2.79Å; L149-I152 VanDerWaalsContact O-N 3.16Å; S150-I152 VanDerWaalsContact C-N 3.3Å; I152-R155 HydrophobicContact CG2-CG 3.8Å; I152-I157 HydrophobicContact CB-CD1 4.22Å; I152-I157 HydrophobicContact CD1-CD1 3.42Å; I152-I157 VanDerWaalsContact CD1-CD1 3.42Å; I152-I157 HydrophobicContact CG1-CD1 4.41Å; I152-I157 HydrophobicContact CG2-CD1 4.23Å
153Q94.4Very high97.9Very high142 Ų14251.5 Ų51.566%0.66427%0.266SS*.  trans-114.5173.1-179.3-62-175.5-8.800111.4A151 R155A151-Q153 PolarHBondContact O-N 2.79Å; Q153-R155 VanDerWaalsContact C-N 3.27Å; Q153-R155 PolarHBondContact O-N 2.91Å
154N94.9Very high97.8Very high123 Ų12351.6 Ų51.666%0.65827%0.266SS*.SBendtrans61.624.7173-51.2-34.2000115.7G122G122-N154 WeakPolarHBondContact CA-O 3.34Å; G122-N154 PolarHBondContact N-O 3.25Å
155R96.6Very high97.7Very high38 Ų3852.7 Ų52.714%0.14327%0.269CS..SBendtrans-159.1158.8173.761.9-175.573.2-128.96111.1L115 L120 I123 I152 Q153L115-R155 PolarHBondContact O-NH2 3.42Å; L120-R155 VanDerWaalsContact O-CZ 3.28Å; L120-R155 PolarHBondContact O-NH1 2.97Å; L120-R155 PolarHBondContact O-NH2 2.85Å; I123-R155 PolarHBondContact O-NH1 3.32Å; I152-R155 HydrophobicContact CG2-CG 3.8Å; Q153-R155 VanDerWaalsContact C-N 3.27Å; Q153-R155 PolarHBondContact O-N 2.91Å
156E97.4Very high97.6Very high81 Ų8150.5 Ų50.538%0.37926%0.258SS..  trans-70.8133164.7-178.4171.5162.800109.1P124 V125 W176 H180P124-E156 WeakPolarHBondContact CA-O 3.2Å; P124-E156 HydrophobicContact CB-CB 4.34Å; V125-E156 PolarHBondContact N-O 3.02Å; E156-W176 HydrophobicContact CG-CZ2 4.28Å; E156-W176 PolarHBondContact OE1-NE1 2.98Å; E156-H180 IonicContact OE1-CE1 3.93Å; E156-H180 PolarHBondContact OE1-CE1 2.85Å; E156-H180 IonicContact OE1-NE2 3.27Å; E156-H180 IonicContact OE2-CE1 3.52Å; E156-H180 IonicContact OE2-NE2 3.77Å; E156-H180 PolarHBondContact OE2-NE2 3.34Å
157I98.3Very high97.4Very high51 Ų5151.4 Ų51.426%0.26227%0.265SS..EExtended strand (participates in β ladder)trans-132134.2172.2-170.4162.2000110.3V125 V127 L149 I152V125-I157 HydrophobicContact CB-CD1 4.42Å; V125-I157 HydrophobicContact CB-CG1 4.23Å; V125-I157 HydrophobicContact CG1-CD1 4.37Å; V125-I157 HydrophobicContact CG1-CG1 4.44Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.41Å; V127-I157 HydrophobicContact CG2-CD1 4.19Å; V127-I157 HydrophobicContact CG2-CG1 4.4Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 4.02Å; L149-I157 HydrophobicContact CG-CD1 4.43Å; I152-I157 HydrophobicContact CB-CD1 4.22Å; I152-I157 HydrophobicContact CD1-CD1 3.42Å; I152-I157 VanDerWaalsContact CD1-CD1 3.42Å; I152-I157 HydrophobicContact CG1-CD1 4.41Å; I152-I157 HydrophobicContact CG2-CD1 4.23Å
158C98.4Very high97.4Very high26 Ų2654.8 Ų54.818%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-131.1150.7176-167.40000109.9V125 L126 V127 Y160 W176V125-C158 PolarHBondContact O-N 3.4Å; L126-C158 HydrophobicContact CD1-CB 3.88Å; V127-C158 PolarHBondContact N-O 3.48Å; C158-Y160 VanDerWaalsContact SG-CZ 3.54Å; C158-W176 HydrophobicContact CB-CD2 4.49Å; C158-W176 HydrophobicContact CB-CZ2 3.99Å
159C98.8Very high97.4Very high15 Ų1554 Ų5410%0.10128%0.278CS..EExtended strand (participates in β ladder)trans-132.6127.7-180-174.80000110.1V127 I144 L149V127-C159 HydrophobicContact CB-CB 4.31Å; V127-C159 VanDerWaalsContact O-CA 3.31Å; V127-C159 WeakPolarHBondContact O-CA 3.5Å; I144-C159 HydrophobicContact CD1-CB 4.33Å; I144-C159 HydrophobicContact CG1-CB 3.96Å; L149-C159 HydrophobicContact CD1-CB 3.87Å
160Y98.7Very high97.2Very high52 Ų5254.3 Ų54.320%0.20428%0.28CS..EExtended strand (participates in β ladder)trans-127.5140.1172-62.1-42.9000110.6L126 V127 L128 G129 C158 I172 W176L126-Y160 HydrophobicContact CD1-CD2 3.82Å; L126-Y160 HydrophobicContact CD1-CE2 4.01Å; V127-Y160 PolarHBondContact O-N 3.21Å; L128-Y160 WeakPolarHBondContact CA-O 3.38Å; L128-Y160 HydrophobicContact CD2-CD2 4.42Å; G129-Y160 PolarHBondContact N-O 2.87Å; C158-Y160 VanDerWaalsContact SG-CZ 3.54Å; Y160-I172 HydrophobicContact CD1-CD1 4.08Å; Y160-I172 HydrophobicContact CD2-CG1 4.47Å; Y160-I172 HydrophobicContact CE1-CD1 4.22Å; Y160-I172 HydrophobicContact CG-CD1 4.3Å; Y160-W176 HydrophobicContact CE2-CB 3.88Å; Y160-W176 HydrophobicContact CE2-CG 4.26Å
161S98.5Very high97Very high0 Ų054.2 Ų54.20%027%0.272CS..EExtended strand (participates in β ladder)trans-96.3122.2169.3-177.90000108.1G129 R132 L138 E140 N169G129-S161 CarbonylContact O-C 3.52Å; G129-S161 WeakPolarHBondContact O-CA 3.35Å; R132-S161 WeakPolarHBondContact CD-OG 3.47Å; R132-S161 WeakPolarHBondContact CG-OG 3.39Å; L138-S161 PolarHBondContact O-OG 3.38Å; E140-S161 VanDerWaalsContact CD-CB 3.46Å; E140-S161 VanDerWaalsContact OE1-CB 3.32Å; E140-S161 WeakPolarHBondContact OE1-CB 3.31Å; E140-S161 PolarHBondContact OE1-N 2.94Å; S161-N169 PolarHBondContact O-ND2 3.41Å
162I98.6Very high96.9Very high0 Ų054.3 Ų54.30%027%0.265CS..  trans-129.2162.1-167.971167.6000111.3F36 M95 L128 G129 N130 K131 R132 D168 N169 I170F36-I162 HydrophobicContact CD2-CD1 3.95Å; F36-I162 HydrophobicContact CE2-CD1 4.18Å; M95-I162 HydrophobicContact CE-CD1 4.14Å; L128-I162 HydrophobicContact CB-CD1 4.12Å; L128-I162 HydrophobicContact CB-CG1 4.49Å; L128-I162 HydrophobicContact CD1-CD1 4.01Å; L128-I162 HydrophobicContact CD2-CD1 4.48Å; L128-I162 HydrophobicContact CD2-CG2 4.12Å; L128-I162 HydrophobicContact CG-CD1 4.43Å; G129-I162 PolarHBondContact O-N 3.19Å; N130-I162 CarbonylContact C-O 3.6Å; N130-I162 WeakPolarHBondContact CA-O 3.39Å; N130-I162 HydrophobicContact CB-CD1 4.47Å; N130-I162 HydrophobicContact CB-CG1 4.12Å; K131-I162 PolarHBondContact N-O 3.03Å; K131-I162 VanDerWaalsContact N-O 3.11Å; R132-I162 WeakPolarHBondContact CB-O 3.4Å; R132-I162 PolarHBondContact N-O 2.84Å; I162-D168 WeakPolarHBondContact CB-O 3.21Å; I162-N169 HydrophobicContact CB-CB 4.48Å; I162-N169 HydrophobicContact CG2-CB 3.89Å; I162-I170 HydrophobicContact CB-CD1 4.46Å; I162-I170 HydrophobicContact CD1-CD1 4.03Å
163S98.3Very high96.8Very high0 Ų053.3 Ų53.30%026%0.26CS..  trans-123.8116.8161.4178.70000109.6D133 K165 E166 K167 D168D133-S163 VanDerWaalsContact CG-OG 3.32Å; D133-S163 WeakPolarHBondContact OD1-CB 3.35Å; D133-S163 PolarHBondContact OD1-OG 3.33Å; S163-K165 PolarHBondContact O-N 3.05Å; S163-K165 PolarHBondContact OG-N 3.1Å; S163-E166 PolarHBondContact OG-N 3.33Å; S163-K167 CarbonylContact O-C 3.53Å; S163-K167 WeakPolarHBondContact O-CA 3.32Å; S163-K167 PolarHBondContact O-N 3.03Å; S163-D168 PolarHBondContact N-O 3.45Å; S163-D168 PolarHBondContact O-N 3.48Å; S163-D168 VanDerWaalsContact O-N 3.17Å
164C97.1Very high96.7Very high2 Ų248 Ų481%0.01424%0.236CC..THydrogen-bonded Turntrans-67.7-26.7168.6-66.70000112.3T35 V39 N130T35-C164 HydrophobicContact CG2-CB 3.79Å; V39-C164 HydrophobicContact CG2-CB 4.17Å; V39-C164 WeakPolarHBondContact CG2-O 3.38Å; N130-C164 PolarHBondContact OD1-N 2.85Å; N130-C164 VanDerWaalsContact OD1-N 3.08Å; N130-C164 PolarHBondContact OD1-SG 3.46Å
165K95.9Very high96.6Very high92 Ų9248.1 Ų48.140%0.423%0.233SC..THydrogen-bonded Turntrans-73.6-55.1-178.7-178.5-177.7169.8-178.30110.8F45 S163 K167F45-K165 HydrophobicContact CD1-CG 4.37Å; F45-K165 HydrophobicContact CD2-CB 4.09Å; F45-K165 HydrophobicContact CE1-CG 4.08Å; F45-K165 HydrophobicContact CE2-CB 3.8Å; F45-K165 HydrophobicContact CE2-CG 4.23Å; F45-K165 HydrophobicContact CZ-CB 4.05Å; F45-K165 HydrophobicContact CZ-CD 4.41Å; F45-K165 HydrophobicContact CZ-CG 4.01Å; S163-K165 PolarHBondContact O-N 3.05Å; S163-K165 PolarHBondContact OG-N 3.1Å; K165-K167 VanDerWaalsContact C-N 3.35Å
166E96.3Very high96.5Very high107 Ų10747.1 Ų47.150%0.523%0.229SC..THydrogen-bonded Turntrans-86.9-8.4-178.6-56-53.7146.200113D133 S163 D168D133-E166 HydrophobicContact CB-CG 3.79Å; S163-E166 PolarHBondContact OG-N 3.33Å; E166-D168 VanDerWaalsContact C-N 3.29Å
167K95.1Very high96.3Very high110 Ų11043.3 Ų43.348%0.47821%0.211SC..  trans67.224.7-178.2-53.7172.4179.3173.80114.2V39 G43 S163 K165 I170V39-K167 HydrophobicContact CG1-CG 4.4Å; G43-K167 WeakPolarHBondContact O-CE 3.24Å; G43-K167 PolarHBondContact O-NZ 2.95Å; S163-K167 CarbonylContact O-C 3.53Å; S163-K167 WeakPolarHBondContact O-CA 3.32Å; S163-K167 PolarHBondContact O-N 3.03Å; K165-K167 VanDerWaalsContact C-N 3.35Å; K167-I170 HydrophobicContact CB-CG1 4.25Å; K167-I170 WeakPolarHBondContact O-CG1 3.26Å
168D97.5Very high95.8Very high72 Ų7244.3 Ų44.339%0.38522%0.217SC..THydrogen-bonded Turntrans-64.6134174.4-62.2-26.5000111.3I162 S163 E166 I170I162-D168 WeakPolarHBondContact CB-O 3.21Å; S163-D168 PolarHBondContact N-O 3.45Å; S163-D168 PolarHBondContact O-N 3.48Å; S163-D168 VanDerWaalsContact O-N 3.17Å; E166-D168 VanDerWaalsContact C-N 3.29Å; D168-I170 PolarHBondContact O-N 2.87Å
169N97.9Very high95.3Very high49 Ų4949.7 Ų49.726%0.26224%0.237SC..THydrogen-bonded Turntrans58.315174.2-66.9-21.4000115.5S161 I162 D171 I172 T173S161-N169 PolarHBondContact O-ND2 3.41Å; I162-N169 HydrophobicContact CB-CB 4.48Å; I162-N169 HydrophobicContact CG2-CB 3.89Å; N169-D171 VanDerWaalsContact C-N 3.34Å; N169-I172 HydrophobicContact CB-CD1 3.73Å; N169-I172 HydrophobicContact CB-CG1 3.81Å; N169-I172 VanDerWaalsContact O-CG1 3.22Å; N169-I172 WeakPolarHBondContact O-CG1 3.25Å; N169-T173 VanDerWaalsContact O-CB 3.32Å; N169-T173 WeakPolarHBondContact O-CB 3.47Å; N169-T173 PolarHBondContact O-N 2.86Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.65Å
170I95.7Very high94.9Very high15 Ų1549.4 Ų49.48%0.07723%0.234CC..Hα-helixtrans-69.1-35.5177.1-59.6-59.9000111.1F36 V39 I40 I162 K167 D168 T173 L174F36-I170 HydrophobicContact CD2-CD1 4.21Å; F36-I170 HydrophobicContact CE2-CD1 4.14Å; V39-I170 HydrophobicContact CG1-CG1 4.39Å; V39-I170 HydrophobicContact CG1-CG2 4.37Å; I40-I170 HydrophobicContact CG2-CG2 4.34Å; I162-I170 HydrophobicContact CB-CD1 4.46Å; I162-I170 HydrophobicContact CD1-CD1 4.03Å; K167-I170 HydrophobicContact CB-CG1 4.25Å; K167-I170 WeakPolarHBondContact O-CG1 3.26Å; D168-I170 PolarHBondContact O-N 2.87Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 PolarHBondContact O-N 2.97Å; I170-L174 HydrophobicContact CG2-CD1 4.25Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 3.23Å; I170-L174 PolarHBondContact O-N 3.15Å
171D93.7Very high94.2Very high94 Ų9447.3 Ų47.350%0.50323%0.227SC..Hα-helixtrans-66.1-49178.464-34.8000112.3N169 T173 L174 Q175N169-D171 VanDerWaalsContact C-N 3.34Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 3.16Å; D171-L174 PolarHBondContact O-N 3.35Å; D171-Q175 WeakPolarHBondContact O-CG 3.41Å; D171-Q175 PolarHBondContact O-N 2.67Å
172I95.3Very high92.8Very high51 Ų5154.4 Ų54.426%0.26226%0.258SS..Hα-helixtrans-64.6-34.5176.564.9171.6000111.4Y160 N169 Q175 W176Y160-I172 HydrophobicContact CD1-CD1 4.08Å; Y160-I172 HydrophobicContact CD2-CG1 4.47Å; Y160-I172 HydrophobicContact CE1-CD1 4.22Å; Y160-I172 HydrophobicContact CG-CD1 4.3Å; N169-I172 HydrophobicContact CB-CD1 3.73Å; N169-I172 HydrophobicContact CB-CG1 3.81Å; N169-I172 VanDerWaalsContact O-CG1 3.22Å; N169-I172 WeakPolarHBondContact O-CG1 3.25Å; I172-Q175 PolarHBondContact O-N 3.03Å; I172-W176 PolarHBondContact O-N 2.59Å
173T95.9Very high90.6Very high0 Ų058.8 Ų58.80%029%0.288CS..Hα-helixtrans-61-48.8172.9-66.70000110.7F36 L126 L128 N169 I170 D171 Q175 W176 L177F36-T173 HydrophobicContact CE2-CG2 3.88Å; F36-T173 HydrophobicContact CZ-CG2 3.7Å; L126-T173 HydrophobicContact CD2-CG2 3.93Å; L128-T173 HydrophobicContact CD1-CG2 3.96Å; L128-T173 HydrophobicContact CD2-CG2 3.96Å; N169-T173 VanDerWaalsContact O-CB 3.32Å; N169-T173 WeakPolarHBondContact O-CB 3.47Å; N169-T173 PolarHBondContact O-N 2.86Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.65Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 PolarHBondContact O-N 2.97Å; D171-T173 VanDerWaalsContact C-N 3.26Å; D171-T173 PolarHBondContact O-N 3.16Å; T173-Q175 VanDerWaalsContact C-N 3.35Å; T173-Q175 PolarHBondContact O-N 3.37Å; T173-W176 PolarHBondContact O-N 3.11Å; T173-L177 HydrophobicContact CG2-CD1 4.28Å; T173-L177 WeakPolarHBondContact O-CG 3.32Å; T173-L177 PolarHBondContact O-N 3.2Å; T173-L177 VanDerWaalsContact O-N 3.08Å
174L92.8Very high88Confident31 Ų3162.5 Ų62.516%0.16233%0.327CS..Hα-helixtrans-65.3-36.8177.4-71.9173.9000112.2I40 I170 D171 L177 I178I40-L174 HydrophobicContact CB-CD2 4.34Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å; I170-L174 HydrophobicContact CG2-CD1 4.25Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 3.23Å; I170-L174 PolarHBondContact O-N 3.15Å; D171-L174 PolarHBondContact O-N 3.35Å; L174-L177 HydrophobicContact CD2-CD1 4.47Å; L174-L177 PolarHBondContact O-N 3.33Å; L174-I178 WeakPolarHBondContact O-CB 3.26Å; L174-I178 WeakPolarHBondContact O-CD1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.46Å; L174-I178 PolarHBondContact O-N 3.25Å
175Q91.9Very high85Confident125 Ų12565.3 Ų65.358%0.58436%0.356SS*.Hα-helixtrans-62.8-44.3175.6-72.317315.600111.8D171 I172 T173 L177 I178 K179D171-Q175 WeakPolarHBondContact O-CG 3.41Å; D171-Q175 PolarHBondContact O-N 2.67Å; I172-Q175 PolarHBondContact O-N 3.03Å; T173-Q175 VanDerWaalsContact C-N 3.35Å; T173-Q175 PolarHBondContact O-N 3.37Å; Q175-L177 VanDerWaalsContact C-N 3.33Å; Q175-L177 PolarHBondContact O-N 3.34Å; Q175-I178 PolarHBondContact O-N 3.27Å; Q175-K179 PolarHBondContact O-N 3.41Å
176W94.1Very high81.9Confident16 Ų1676.2 Ų76.26%0.06140%0.395CS..Hα-helixtrans-61-43175.3-172.497.4000111.2A91 P124 L126 E156 C158 Y160 I172 T173 K179 H180A91-W176 HydrophobicContact CB-CH2 4.2Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å; P124-W176 HydrophobicContact CB-CH2 3.84Å; P124-W176 HydrophobicContact CB-CZ2 4.39Å; L126-W176 HydrophobicContact CB-CE3 3.93Å; L126-W176 HydrophobicContact CB-CH2 3.99Å; L126-W176 HydrophobicContact CB-CZ3 3.62Å; L126-W176 HydrophobicContact CD1-CD2 4.05Å; L126-W176 HydrophobicContact CD1-CE3 4.13Å; L126-W176 HydrophobicContact CD1-CG 4.4Å; L126-W176 HydrophobicContact CD2-CD2 4.4Å; L126-W176 HydrophobicContact CD2-CE3 3.79Å; L126-W176 HydrophobicContact CD2-CZ3 4.26Å; L126-W176 HydrophobicContact CG-CE3 4.17Å; L126-W176 HydrophobicContact CG-CZ3 4.37Å; E156-W176 HydrophobicContact CG-CZ2 4.28Å; E156-W176 PolarHBondContact OE1-NE1 2.98Å; C158-W176 HydrophobicContact CB-CD2 4.49Å; C158-W176 HydrophobicContact CB-CZ2 3.99Å; Y160-W176 HydrophobicContact CE2-CB 3.88Å; Y160-W176 HydrophobicContact CE2-CG 4.26Å; I172-W176 PolarHBondContact O-N 2.59Å; T173-W176 PolarHBondContact O-N 3.11Å; W176-K179 WeakPolarHBondContact O-CB 3.42Å; W176-K179 PolarHBondContact O-N 3.35Å; W176-H180 AromaticContact CD2-CE1 3.74Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.3Å; W176-H180 AromaticContact CE2-ND1 3.79Å; W176-H180 AromaticContact CE3-ND1 3.72Å; W176-H180 AromaticContact CH2-CE1 3.69Å; W176-H180 AromaticContact CH2-ND1 3.87Å; W176-H180 AromaticContact CZ2-CE1 3.3Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.46Å; W176-H180 AromaticContact CZ2-ND1 3.88Å; W176-H180 AromaticContact CZ2-NE2 3.83Å; W176-H180 AromaticContact CZ3-ND1 3.76Å; W176-H180 AromaticContact NE1-CE1 3.7Å; W176-H180 PolarHBondContact O-ND1 2.78Å
177L92.9Very high81.2Confident2 Ų274.7 Ų74.71%0.0139%0.39CS..Hα-helixtrans-63.8-47.6176.9-66.7170.1000111.6M21 L23 I93 L126 T173 L174 Q175 K179 H180 S181M21-L177 HydrophobicContact CE-CB 4.15Å; M21-L177 HydrophobicContact CE-CD2 4.38Å; M21-L177 WeakPolarHBondContact CE-O 3.38Å; M21-L177 HydrophobicContact SD-CB 4.37Å; M21-L177 VanDerWaalsContact SD-O 3.42Å; L23-L177 HydrophobicContact CD1-CB 4.48Å; L23-L177 HydrophobicContact CD1-CD1 4.04Å; L23-L177 HydrophobicContact CD1-CD2 3.85Å; L23-L177 HydrophobicContact CD1-CG 4.35Å; L23-L177 HydrophobicContact CD2-CD2 3.95Å; I93-L177 HydrophobicContact CD1-CD1 3.89Å; I93-L177 HydrophobicContact CD1-CD2 3.91Å; I93-L177 HydrophobicContact CG1-CD2 4.03Å; L126-L177 HydrophobicContact CD2-CD2 3.9Å; L126-L177 HydrophobicContact CD2-CG 4.04Å; T173-L177 HydrophobicContact CG2-CD1 4.28Å; T173-L177 WeakPolarHBondContact O-CG 3.32Å; T173-L177 PolarHBondContact O-N 3.2Å; T173-L177 VanDerWaalsContact O-N 3.08Å; L174-L177 HydrophobicContact CD2-CD1 4.47Å; L174-L177 PolarHBondContact O-N 3.33Å; Q175-L177 VanDerWaalsContact C-N 3.33Å; Q175-L177 PolarHBondContact O-N 3.34Å; L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.82Å; L177-H180 WeakPolarHBondContact O-CA 3.39Å; L177-H180 WeakPolarHBondContact O-CB 3.45Å; L177-H180 PolarHBondContact O-N 2.89Å; L177-S181 PolarHBondContact O-N 3.37Å
178I88.5Confident80.5Confident72 Ų7272.8 Ų72.837%0.36939%0.385SS..Hα-helixtrans-62.2-33.6179.7-68.9164.2000111.5L174 Q175 H180 S181L174-I178 WeakPolarHBondContact O-CB 3.26Å; L174-I178 WeakPolarHBondContact O-CD1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.46Å; L174-I178 PolarHBondContact O-N 3.25Å; Q175-I178 PolarHBondContact O-N 3.27Å; I178-H180 PolarHBondContact O-N 3.14Å; I178-H180 VanDerWaalsContact O-N 3.15Å; I178-S181 WeakPolarHBondContact O-CB 3.43Å; I178-S181 PolarHBondContact O-N 3.48Å; I178-S181 VanDerWaalsContact O-N 3.12Å; I178-S181 PolarHBondContact O-OG 3.32Å
179K88.7Confident79.5Confident138 Ų13872.9 Ų72.960%0.639%0.385SS*.Hα-helixtrans-57.4-29172.8-176.3-171.2168.7-154.90112.4Q175 W176 L177Q175-K179 PolarHBondContact O-N 3.41Å; W176-K179 WeakPolarHBondContact O-CB 3.42Å; W176-K179 PolarHBondContact O-N 3.35Å; L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.82Å
180H90.1Very high78.4Confident9 Ų974.3 Ų74.34%0.04239%0.392CS..THydrogen-bonded Turntrans-94.92.3-178.8-67.187.5000114.1M21 N90 E156 W176 L177 I178 K182M21-H180 HydrophobicContact CE-CB 3.95Å; N90-H180 PolarHBondContact ND2-O 3.04Å; E156-H180 IonicContact OE1-CE1 3.93Å; E156-H180 PolarHBondContact OE1-CE1 2.85Å; E156-H180 IonicContact OE1-NE2 3.27Å; E156-H180 IonicContact OE2-CE1 3.52Å; E156-H180 IonicContact OE2-NE2 3.77Å; E156-H180 PolarHBondContact OE2-NE2 3.34Å; W176-H180 AromaticContact CD2-CE1 3.74Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.3Å; W176-H180 AromaticContact CE2-ND1 3.79Å; W176-H180 AromaticContact CE3-ND1 3.72Å; W176-H180 AromaticContact CH2-CE1 3.69Å; W176-H180 AromaticContact CH2-ND1 3.87Å; W176-H180 AromaticContact CZ2-CE1 3.3Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.46Å; W176-H180 AromaticContact CZ2-ND1 3.88Å; W176-H180 AromaticContact CZ2-NE2 3.83Å; W176-H180 AromaticContact CZ3-ND1 3.76Å; W176-H180 AromaticContact NE1-CE1 3.7Å; W176-H180 PolarHBondContact O-ND1 2.78Å; L177-H180 WeakPolarHBondContact O-CA 3.39Å; L177-H180 WeakPolarHBondContact O-CB 3.45Å; L177-H180 PolarHBondContact O-N 2.89Å; I178-H180 PolarHBondContact O-N 3.14Å; I178-H180 VanDerWaalsContact O-N 3.15Å; H180-K182 PolarHBondContact O-N 3.02Å
181S83.6Confident77.3Confident8 Ų878 Ų786%0.05641%0.412CS..G310 helixtrans-64.7-28.217365.40000112.4E19 L177 I178 S183E19-S181 WeakPolarHBondContact OE2-CB 3.35Å; E19-S181 PolarHBondContact OE2-OG 3.48Å; L177-S181 PolarHBondContact O-N 3.37Å; I178-S181 WeakPolarHBondContact O-CB 3.43Å; I178-S181 PolarHBondContact O-N 3.48Å; I178-S181 VanDerWaalsContact O-N 3.12Å; I178-S181 PolarHBondContact O-OG 3.32Å; S181-S183 PolarHBondContact O-N 3.21Å
182K68.7Low76.3Confident149 Ų14976.9 Ų76.965%0.64841%0.406SS*.G310 helixtrans-83.9-5.4-168.7-67.3-170.1174.6-175.90116.2E19 H180 G184E19-K182 WeakPolarHBondContact OE1-CE 3.34Å; H180-K182 PolarHBondContact O-N 3.02Å; K182-G184 PolarHBondContact O-N 3.11Å
183S53Low74.9Confident92 Ų9278.8 Ų78.864%0.64342%0.416SS*.G310 helixtrans-74.13.1-171.7-58.20000115.2S181 G185S181-S183 PolarHBondContact O-N 3.21Å; S183-G185 VanDerWaalsContact C-N 3.31Å; S183-G185 PolarHBondContact O-N 3.05Å
184G43.1Very low73.3Confident79 Ų7984.8 Ų84.881%0.81445%0.448SS*.G310 helixtrans-83.86.7173.500000115.5K182K182-G184 PolarHBondContact O-N 3.11Å
185G33.5Very low71.7Confident61 Ų6189.3 Ų89.363%0.62947%0.472SS*.  trans-125.859.3-171.700000114.6S183S183-G185 VanDerWaalsContact C-N 3.31Å; S183-G185 PolarHBondContact O-N 3.05Å
186R31.8Very low69.8Low321 Ų32186.1 Ų86.1100%1.21146%0.462SS*.  trans-166.70150.9-108.7167.8-167.4-172.93.6111.6

Retrieved 186 of 186 residues in 383.9 ms (Link to these results)

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