A0A087Y368_POEFO Loading...

P53 apoptosis effector related to pmp22

AlphaFold DB , UniProt , Accession A0A087Y368, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 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
1M33.5Very low49.8Very low216 Ų216127.2 Ų127.2100%1.06466%0.656SS**  087.30-162.8178.1-171.200107.5R3M1-R3 PolarHBondContact O-N 2.94Å
2F27.3Very low51.8Low207 Ų207123.1 Ų123.191%0.90863%0.629SS**  trans-67.1107.4173.4-77-81000107C4F2-C4 VanDerWaalsContact C-N 3.33Å; F2-C4 PolarHBondContact O-N 3.41Å
3R37.5Very low54.4Low237 Ų237123.8 Ų123.889%0.89462%0.62SS**  trans-62.3101.8164-80.9-177.1165.5-165-4105.6M1 G5M1-R3 PolarHBondContact O-N 2.94Å; R3-G5 PolarHBondContact O-N 3.04Å
4C47.3Very low56.8Low94 Ų94119.6 Ų119.664%0.63560%0.604SS**  trans-61.389.7167-85.50000107.7F2 L6F2-C4 VanDerWaalsContact C-N 3.33Å; F2-C4 PolarHBondContact O-N 3.41Å; C4-L6 PolarHBondContact O-N 2.93Å
5G44.4Very low58.8Low80 Ų80113.5 Ų113.583%0.82557%0.572SS**  trans-7714.2170.400000112.8R3 A7R3-G5 PolarHBondContact O-N 3.04Å; G5-A7 PolarHBondContact O-N 3.38Å
6L51.2Low60.8Low109 Ų109106.8 Ų106.857%0.57154%0.539SS*.  trans-78.2112.8173.2-126.487.5000107.8C4 Y8 C11C4-L6 PolarHBondContact O-N 2.93Å; L6-Y8 VanDerWaalsContact C-N 3.25Å; L6-Y8 PolarHBondContact O-N 3.46Å; L6-C11 HydrophobicContact CD2-CB 3.38Å; L6-C11 HydrophobicContact CG-CB 4.06Å
7A57Low62.7Low43 Ų43106.1 Ų106.136%0.35554%0.537SS..  trans-62.992.6165.200000108.2G5 P9 R10 C11G5-A7 PolarHBondContact O-N 3.38Å; A7-P9 VanDerWaalsContact C-N 3.29Å; A7-P9 VanDerWaalsContact O-N 3.11Å; A7-R10 HydrophobicContact CB-CB 4.33Å; A7-R10 HydrophobicContact CB-CG 4.33Å; A7-R10 PolarHBondContact O-N 3.21Å; A7-C11 PolarHBondContact O-N 3.37Å
8Y59.6Low64.5Low54 Ų54103.4 Ų103.421%0.21252%0.524CS..Hα-helixtrans-39.5-47.1-179.4-176.1-102.1000114.2L6 R10 C11 K12 M95 P99 I171L6-Y8 VanDerWaalsContact C-N 3.25Å; L6-Y8 PolarHBondContact O-N 3.46Å; Y8-R10 VanDerWaalsContact C-N 3.29Å; Y8-R10 PolarHBondContact O-N 3.07Å; Y8-C11 PolarHBondContact O-N 3.2Å; Y8-K12 PolarHBondContact O-N 3.47Å; Y8-K12 VanDerWaalsContact O-N 3.11Å; Y8-M95 WeakPolarHBondContact OH-CE 3.3Å; Y8-P99 HydrophobicContact CE1-CB 4.4Å; Y8-P99 HydrophobicContact CE1-CG 4.01Å; Y8-P99 WeakPolarHBondContact OH-CB 3.47Å; Y8-I171 HydrophobicContact CD1-CG2 3.93Å; Y8-I171 HydrophobicContact CD2-CD1 3.86Å; Y8-I171 HydrophobicContact CE1-CG2 4.3Å; Y8-I171 HydrophobicContact CE2-CD1 4.25Å; Y8-I171 HydrophobicContact CG-CD1 4.17Å; Y8-I171 HydrophobicContact CG-CG2 4.23Å
9P61.2Low66.2Low98 Ų9898 Ų9864%0.63650%0.496SS*.Hα-helixtrans-65.6-25179.122.5-33.6000114.9A7A7-P9 VanDerWaalsContact C-N 3.29Å; A7-P9 VanDerWaalsContact O-N 3.11Å
10R62.2Low67.7Low218 Ų21897.2 Ų97.282%0.82349%0.493SS*.Hα-helixtrans-84-29.1179.1-68.9-170.2169.2112.4-0.1113.1A7 Y8A7-R10 HydrophobicContact CB-CB 4.33Å; A7-R10 HydrophobicContact CB-CG 4.33Å; A7-R10 PolarHBondContact O-N 3.21Å; Y8-R10 VanDerWaalsContact C-N 3.29Å; Y8-R10 PolarHBondContact O-N 3.07Å
11C66.1Low69.1Low43 Ų4397.3 Ų97.329%0.29149%0.49SS..Hα-helixtrans-105.24.2-176.5-70.40000114.2L6 A7 Y8 W13 V14L6-C11 HydrophobicContact CD2-CB 3.38Å; L6-C11 HydrophobicContact CG-CB 4.06Å; A7-C11 PolarHBondContact O-N 3.37Å; Y8-C11 PolarHBondContact O-N 3.2Å; C11-W13 PolarHBondContact O-N 3.23Å; C11-V14 HydrophobicContact CB-CG2 4.11Å; C11-V14 WeakPolarHBondContact O-CB 3.24Å; C11-V14 WeakPolarHBondContact O-CG2 3.21Å; C11-V14 PolarHBondContact O-N 3.16Å
12K74.8Confident72.2Confident78 Ų7887 Ų8734%0.33944%0.44SS..THydrogen-bonded Turntrans-54.8-29.2-176.970.9178-170.3168.20114.7Y8 P16 M95Y8-K12 PolarHBondContact O-N 3.47Å; Y8-K12 VanDerWaalsContact O-N 3.11Å; K12-P16 WeakPolarHBondContact O-CD 3.34Å; K12-M95 HydrophobicContact CB-SD 4.48Å
13W84.7Confident75.6Confident133 Ų13378 Ų7850%0.50440%0.401SS..THydrogen-bonded Turntrans-91.2-9-179.2-65.8118.1000114.5C11 M15 P16 L17C11-W13 PolarHBondContact O-N 3.23Å; W13-M15 VanDerWaalsContact C-N 3.33Å; W13-M15 PolarHBondContact O-N 2.98Å; W13-P16 HydrophobicContact CE3-CG 4.25Å; W13-P16 WeakPolarHBondContact O-CD 3.42Å; W13-L17 WeakPolarHBondContact O-CB 3.31Å; W13-L17 PolarHBondContact O-N 2.73Å; W13-L17 VanDerWaalsContact O-N 3.13Å
14V87.8Confident78.4Confident65 Ų6570.2 Ų70.239%0.39438%0.376SS..Hα-helixtrans-63.4-42.1-178.3176.60000110.6C11 L17 L18C11-V14 HydrophobicContact CB-CG2 4.11Å; C11-V14 WeakPolarHBondContact O-CB 3.24Å; C11-V14 WeakPolarHBondContact O-CG2 3.21Å; C11-V14 PolarHBondContact O-N 3.16Å; V14-L17 PolarHBondContact O-N 2.84Å; V14-L18 HydrophobicContact CG1-CD1 4.05Å; V14-L18 HydrophobicContact CG1-CG 4.46Å; V14-L18 WeakPolarHBondContact O-CG 3.15Å; V14-L18 PolarHBondContact O-N 2.95Å
15M88.1Confident80.8Confident27 Ų2768.4 Ų68.413%0.13336%0.357CS..Hα-helixtrans-69.3-50.9-177.3-55.3-62.8140.600112.8W13 L17 L18 L19 I160 F161W13-M15 VanDerWaalsContact C-N 3.33Å; W13-M15 PolarHBondContact O-N 2.98Å; M15-L17 PolarHBondContact O-N 2.91Å; M15-L18 PolarHBondContact O-N 3.16Å; M15-L18 HydrophobicContact SD-CD1 4.35Å; M15-L19 WeakPolarHBondContact O-CG 3.45Å; M15-L19 PolarHBondContact O-N 3.42Å; M15-I160 HydrophobicContact CE-CD1 4.22Å; M15-I160 HydrophobicContact CE-CG2 4Å; M15-I160 HydrophobicContact SD-CD1 4.25Å; M15-I160 HydrophobicContact SD-CG2 3.87Å; M15-F161 HydrophobicContact CB-CE1 4.05Å; M15-F161 HydrophobicContact CB-CE2 4.44Å; M15-F161 HydrophobicContact CB-CZ 3.59Å; M15-F161 HydrophobicContact CG-CE1 4.32Å; M15-F161 HydrophobicContact CG-CZ 4.22Å
16P90.6Very high83.3Confident7 Ų764.6 Ų64.65%0.04532%0.318CS..Hα-helixtrans-56.3-36.9173.4-24.632.3000113.2K12 W13 L19 L20 F88 M95K12-P16 WeakPolarHBondContact O-CD 3.34Å; W13-P16 HydrophobicContact CE3-CG 4.25Å; W13-P16 WeakPolarHBondContact O-CD 3.42Å; P16-L19 PolarHBondContact O-N 2.93Å; P16-L20 PolarHBondContact O-N 3.4Å; P16-F88 HydrophobicContact CB-CE2 4.24Å; P16-F88 WeakPolarHBondContact O-CE2 3.41Å; P16-M95 HydrophobicContact CG-CG 4.12Å
17L93.4Very high85.5Confident95 Ų9563.4 Ų63.450%0.49731%0.311SS..Hα-helixtrans-69.7-38179.8-173.4141.1000112.2W13 V14 M15 L20 F21W13-L17 WeakPolarHBondContact O-CB 3.31Å; W13-L17 PolarHBondContact O-N 2.73Å; W13-L17 VanDerWaalsContact O-N 3.13Å; V14-L17 PolarHBondContact O-N 2.84Å; M15-L17 PolarHBondContact O-N 2.91Å; L17-L20 WeakPolarHBondContact O-CB 3.5Å; L17-L20 PolarHBondContact O-N 2.91Å; L17-F21 HydrophobicContact CD2-CD2 3.89Å; L17-F21 HydrophobicContact CD2-CE2 3.43Å; L17-F21 VanDerWaalsContact CD2-CE2 3.43Å; L17-F21 HydrophobicContact CG-CE2 4.19Å; L17-F21 WeakPolarHBondContact O-CD2 3.45Å; L17-F21 PolarHBondContact O-N 3.46Å; L17-F21 VanDerWaalsContact O-N 3.11Å
18L94.9Very high87.4Confident58 Ų5864 Ų6430%0.30431%0.308SS..Hα-helixtrans-63.5-42.2170.6-74.3171.3000112V14 M15 L20 F21 A22 I153V14-L18 HydrophobicContact CG1-CD1 4.05Å; V14-L18 HydrophobicContact CG1-CG 4.46Å; V14-L18 WeakPolarHBondContact O-CG 3.15Å; V14-L18 PolarHBondContact O-N 2.95Å; M15-L18 PolarHBondContact O-N 3.16Å; M15-L18 HydrophobicContact SD-CD1 4.35Å; L18-L20 VanDerWaalsContact C-N 3.31Å; L18-L20 PolarHBondContact O-N 2.95Å; L18-F21 PolarHBondContact O-N 2.89Å; L18-A22 PolarHBondContact O-N 3.28Å; L18-I153 HydrophobicContact CB-CG2 4.16Å
19L95.9Very high89.1Confident0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-65.1-35.5176-66.1-176.2000112.2M15 P16 A22 I23 L84 F88 C91 L111 C157 F161M15-L19 WeakPolarHBondContact O-CG 3.45Å; M15-L19 PolarHBondContact O-N 3.42Å; P16-L19 PolarHBondContact O-N 2.93Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 3.05Å; L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 2.74Å; L19-L84 HydrophobicContact CD2-CD1 4.31Å; L19-F88 HydrophobicContact CB-CD2 3.93Å; L19-C91 HydrophobicContact CD1-CB 4.01Å; L19-L111 HydrophobicContact CD1-CD1 4.2Å; L19-L111 HydrophobicContact CD2-CD1 3.81Å; L19-L111 HydrophobicContact CD2-CD2 3.58Å; L19-L111 HydrophobicContact CD2-CG 4.36Å; L19-C157 HydrophobicContact CD2-CB 4.01Å; L19-F161 HydrophobicContact CD1-CE2 4.16Å; L19-F161 HydrophobicContact CD1-CZ 4.39Å
20L96.6Very high90.8Very high82 Ų8257.6 Ų57.643%0.42927%0.272SS..Hα-helixtrans-61.9-43.7173-178.864.8000111.3P16 L17 L18 A22 I23 I24 F88P16-L20 PolarHBondContact O-N 3.4Å; L17-L20 WeakPolarHBondContact O-CB 3.5Å; L17-L20 PolarHBondContact O-N 2.91Å; L18-L20 VanDerWaalsContact C-N 3.31Å; L18-L20 PolarHBondContact O-N 2.95Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-I23 PolarHBondContact O-N 2.93Å; L20-I24 HydrophobicContact CG-CD1 4.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.22Å; L20-I24 PolarHBondContact O-N 3.32Å; L20-F88 HydrophobicContact CB-CE2 4.26Å
21F97.3Very high92.3Very high100 Ų10050.4 Ų50.444%0.43926%0.259SS..Hα-helixtrans-62.4-40.9173.1-76.4-59.7000112.3L17 L18 I23 I24 F25L17-F21 HydrophobicContact CD2-CD2 3.89Å; L17-F21 HydrophobicContact CD2-CE2 3.43Å; L17-F21 VanDerWaalsContact CD2-CE2 3.43Å; L17-F21 HydrophobicContact CG-CE2 4.19Å; L17-F21 WeakPolarHBondContact O-CD2 3.45Å; L17-F21 PolarHBondContact O-N 3.46Å; L17-F21 VanDerWaalsContact O-N 3.11Å; L18-F21 PolarHBondContact O-N 2.89Å; F21-I23 VanDerWaalsContact C-N 3.32Å; F21-I23 PolarHBondContact O-N 3.02Å; F21-I24 PolarHBondContact O-N 3.43Å; F21-F25 WeakPolarHBondContact O-CB 3.26Å; F21-F25 WeakPolarHBondContact O-CD1 3.38Å; F21-F25 VanDerWaalsContact O-CG 3.29Å; F21-F25 WeakPolarHBondContact O-CG 3.47Å; F21-F25 PolarHBondContact O-N 3.35Å
22A97.7Very high93.5Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-59.5-42.8175.400000111.7L18 L19 L20 I24 F25 D26 L84 I153L18-A22 PolarHBondContact O-N 3.28Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 3.05Å; L20-A22 VanDerWaalsContact C-N 3.34Å; A22-I24 PolarHBondContact O-N 3.04Å; A22-F25 PolarHBondContact O-N 3.01Å; A22-D26 WeakPolarHBondContact O-CB 3.4Å; A22-D26 PolarHBondContact O-N 3.32Å; A22-L84 HydrophobicContact CB-CD2 4.15Å; A22-I153 HydrophobicContact CB-CB 4.24Å; A22-I153 HydrophobicContact CB-CG2 3.91Å
23I98.3Very high94Very high17 Ų1752.5 Ų52.59%0.08727%0.267CS..Hα-helixtrans-60.6-46175.2-70.3164.2000110.9L19 L20 F21 F25 D26 I27 L81 L84 V85 F88L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 2.74Å; L20-I23 PolarHBondContact O-N 2.93Å; F21-I23 VanDerWaalsContact C-N 3.32Å; F21-I23 PolarHBondContact O-N 3.02Å; I23-F25 VanDerWaalsContact C-N 3.34Å; I23-F25 PolarHBondContact O-N 3.17Å; I23-D26 PolarHBondContact O-N 3.47Å; I23-I27 HydrophobicContact CG2-CD1 3.7Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 WeakPolarHBondContact O-CB 3.49Å; I23-I27 VanDerWaalsContact O-CG1 3.26Å; I23-I27 WeakPolarHBondContact O-CG1 3.35Å; I23-I27 PolarHBondContact O-N 3.11Å; I23-L81 HydrophobicContact CG2-CD1 4.2Å; I23-L84 HydrophobicContact CG1-CD2 3.78Å; I23-L84 HydrophobicContact CG1-CG 3.72Å; I23-V85 HydrophobicContact CD1-CG2 4.26Å; I23-V85 HydrophobicContact CG1-CG2 4.39Å; I23-F88 HydrophobicContact CD1-CB 3.73Å; I23-F88 HydrophobicContact CD1-CD1 4.13Å; I23-F88 HydrophobicContact CD1-CD2 4.3Å; I23-F88 HydrophobicContact CD1-CG 3.79Å
24I98.1Very high94Very high73 Ų7348 Ų4837%0.37426%0.256SS..Hα-helixtrans-61.8-45178.9-67.4165.9000110.2L20 F21 A22 D26 I27 I28L20-I24 HydrophobicContact CG-CD1 4.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.22Å; L20-I24 PolarHBondContact O-N 3.32Å; F21-I24 PolarHBondContact O-N 3.43Å; A22-I24 PolarHBondContact O-N 3.04Å; I24-D26 PolarHBondContact O-N 3.46Å; I24-I27 PolarHBondContact O-N 2.87Å; I24-I28 HydrophobicContact CG2-CD1 3.8Å; I24-I28 HydrophobicContact CG2-CG1 4.43Å; I24-I28 VanDerWaalsContact O-CG1 3.23Å; I24-I28 WeakPolarHBondContact O-CG1 3.32Å; I24-I28 PolarHBondContact O-N 3.43Å
25F97.8Very high93.9Very high56 Ų5644.9 Ų44.925%0.24624%0.237CC..Hα-helixtrans-63.1-42.2178.7-70.3-0.9000112F21 A22 I23 I28 A29 F146 A150 I153F21-F25 WeakPolarHBondContact O-CB 3.26Å; F21-F25 WeakPolarHBondContact O-CD1 3.38Å; F21-F25 VanDerWaalsContact O-CG 3.29Å; F21-F25 WeakPolarHBondContact O-CG 3.47Å; F21-F25 PolarHBondContact O-N 3.35Å; A22-F25 PolarHBondContact O-N 3.01Å; I23-F25 VanDerWaalsContact C-N 3.34Å; I23-F25 PolarHBondContact O-N 3.17Å; F25-I28 PolarHBondContact O-N 3.24Å; F25-A29 WeakPolarHBondContact O-CB 3.42Å; F25-A29 PolarHBondContact O-N 3.03Å; F25-F146 HydrophobicContact CB-CB 4.29Å; F25-F146 HydrophobicContact CB-CD1 4.02Å; F25-F146 AromaticContact CD1-CD1 3.44Å; F25-F146 HydrophobicContact CD1-CD1 3.44Å; F25-F146 VanDerWaalsContact CD1-CD1 3.44Å; F25-F146 AromaticContact CD1-CE1 3.63Å; F25-F146 HydrophobicContact CD1-CE1 3.63Å; F25-F146 HydrophobicContact CD2-CD1 4.11Å; F25-F146 AromaticContact CE1-CD1 3.85Å; F25-F146 HydrophobicContact CE1-CD1 3.85Å; F25-F146 AromaticContact CE1-CE1 3.58Å; F25-F146 HydrophobicContact CE1-CE1 3.58Å; F25-F146 HydrophobicContact CE2-CD1 4.44Å; F25-F146 AromaticContact CG-CD1 3.6Å; F25-F146 HydrophobicContact CG-CD1 3.6Å; F25-F146 HydrophobicContact CG-CE1 4.22Å; F25-F146 HydrophobicContact CZ-CD1 4.32Å; F25-F146 HydrophobicContact CZ-CE1 4.13Å; F25-A150 HydrophobicContact CB-CB 3.98Å; F25-I153 HydrophobicContact CD2-CD1 4.03Å; F25-I153 HydrophobicContact CE2-CD1 3.94Å
26D96.4Very high94.1Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-64.3-43175.8-115.726.6000112.2A22 I23 I24 I28 A29 I30 L81 Q118 A150A22-D26 WeakPolarHBondContact O-CB 3.4Å; A22-D26 PolarHBondContact O-N 3.32Å; I23-D26 PolarHBondContact O-N 3.47Å; I24-D26 PolarHBondContact O-N 3.46Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.36Å; D26-A29 PolarHBondContact O-N 3.48Å; D26-I30 WeakPolarHBondContact O-CB 3.39Å; D26-I30 VanDerWaalsContact O-CG1 3.26Å; D26-I30 WeakPolarHBondContact O-CG1 3.27Å; D26-I30 PolarHBondContact O-N 3.24Å; D26-L81 HydrophobicContact CB-CD1 4.11Å; D26-Q118 PolarHBondContact OD1-NE2 2.85Å; D26-Q118 PolarHBondContact OD2-NE2 3.35Å; D26-A150 HydrophobicContact CB-CB 4.37Å; D26-A150 VanDerWaalsContact OD1-CB 3.25Å; D26-A150 WeakPolarHBondContact OD1-CB 3.44Å
27I97.1Very high94.1Very high84 Ų8443.3 Ų43.343%0.43123%0.229SC..Hα-helixtrans-62.2-42.5176-70.5168.5000110.1I23 I24 I30 A31 L81I23-I27 HydrophobicContact CG2-CD1 3.7Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 WeakPolarHBondContact O-CB 3.49Å; I23-I27 VanDerWaalsContact O-CG1 3.26Å; I23-I27 WeakPolarHBondContact O-CG1 3.35Å; I23-I27 PolarHBondContact O-N 3.11Å; I24-I27 PolarHBondContact O-N 2.87Å; I27-I30 PolarHBondContact O-N 3.48Å; I27-A31 WeakPolarHBondContact O-CB 3.23Å; I27-A31 PolarHBondContact O-N 3.29Å; I27-L81 HydrophobicContact CG1-CD1 4.17Å; I27-L81 HydrophobicContact CG1-CD2 3.88Å
28I96.5Very high93.9Very high56 Ų5640.6 Ų40.629%0.28721%0.214SC..Hα-helixtrans-61.1-49.3175.7-69.6167.8000109.8I24 F25 D26 I30 A31 A32 W142 F146I24-I28 HydrophobicContact CG2-CD1 3.8Å; I24-I28 HydrophobicContact CG2-CG1 4.43Å; I24-I28 VanDerWaalsContact O-CG1 3.23Å; I24-I28 WeakPolarHBondContact O-CG1 3.32Å; I24-I28 PolarHBondContact O-N 3.43Å; F25-I28 PolarHBondContact O-N 3.24Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.36Å; I28-I30 VanDerWaalsContact C-N 3.34Å; I28-I30 PolarHBondContact O-N 2.9Å; I28-A31 PolarHBondContact O-N 3.44Å; I28-A32 WeakPolarHBondContact O-CB 3.4Å; I28-A32 PolarHBondContact O-N 3.34Å; I28-W142 HydrophobicContact CG2-CE3 4.17Å; I28-W142 HydrophobicContact CG2-CZ3 3.63Å; I28-F146 HydrophobicContact CB-CD2 4.47Å; I28-F146 HydrophobicContact CG2-CB 4.43Å; I28-F146 HydrophobicContact CG2-CD2 3.57Å; I28-F146 HydrophobicContact CG2-CE2 3.99Å; I28-F146 HydrophobicContact CG2-CG 4.06Å
29A96Very high93.4Very high0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-59.5-42.7179.100000112.2F25 D26 W36 M77 A143 F146F25-A29 WeakPolarHBondContact O-CB 3.42Å; F25-A29 PolarHBondContact O-N 3.03Å; D26-A29 PolarHBondContact O-N 3.48Å; A29-W36 HydrophobicContact CB-CZ2 4.49Å; A29-W36 PolarHBondContact O-NE1 2.84Å; A29-M77 HydrophobicContact CB-CE 4.46Å; A29-A143 WeakPolarHBondContact CB-O 3.47Å; A29-F146 HydrophobicContact CB-CB 4.42Å
30I95.6Very high92.7Very high17 Ų1746.2 Ų46.29%0.08723%0.232CC..Hα-helixtrans-74.7-43.6-179.5-67.4166.1000111.5D26 I27 I28 M48 W49 M77 I78 L81D26-I30 WeakPolarHBondContact O-CB 3.39Å; D26-I30 VanDerWaalsContact O-CG1 3.26Å; D26-I30 WeakPolarHBondContact O-CG1 3.27Å; D26-I30 PolarHBondContact O-N 3.24Å; I27-I30 PolarHBondContact O-N 3.48Å; I28-I30 VanDerWaalsContact C-N 3.34Å; I28-I30 PolarHBondContact O-N 2.9Å; I30-M48 HydrophobicContact CG2-CE 4.1Å; I30-W49 HydrophobicContact CG2-CZ2 3.95Å; I30-W49 PolarHBondContact O-NE1 2.99Å; I30-M77 HydrophobicContact CD1-CB 4.02Å; I30-M77 HydrophobicContact CG1-CB 3.88Å; I30-I78 HydrophobicContact CG2-CG1 4.28Å; I30-L81 HydrophobicContact CD1-CB 3.94Å; I30-L81 HydrophobicContact CD1-CD2 3.84Å
31A94.9Very high91.9Very high67 Ų6749.5 Ų49.555%0.55425%0.245SC*.Hα-helixtrans-84.4-11.4-173.900000113.6I27 I28 Q33I27-A31 WeakPolarHBondContact O-CB 3.23Å; I27-A31 PolarHBondContact O-N 3.29Å; I28-A31 PolarHBondContact O-N 3.44Å; A31-Q33 PolarHBondContact O-N 2.91Å
32A91.6Very high90.8Very high7 Ų750.5 Ų50.56%0.05826%0.255CS..  trans-56.8128.5179.100000111.7I28 S34 S47 W142 A143I28-A32 WeakPolarHBondContact O-CB 3.4Å; I28-A32 PolarHBondContact O-N 3.34Å; A32-S34 WeakPolarHBondContact CB-O 3.33Å; A32-S47 WeakPolarHBondContact O-CB 3.46Å; A32-W142 HydrophobicContact CB-CH2 3.48Å; A32-W142 VanDerWaalsContact CB-CH2 3.48Å; A32-W142 HydrophobicContact CB-CZ2 4.34Å; A32-W142 HydrophobicContact CB-CZ3 3.87Å; A32-A143 HydrophobicContact CB-CB 3.5Å; A32-A143 VanDerWaalsContact CB-CB 3.5Å
33Q85.1Confident90Very high159 Ų15952.9 Ų52.974%0.74327%0.269SS*.SBendtrans-87.8-12.6174.9-65.8-170.3-17.100112.9A31 S47A31-Q33 PolarHBondContact O-N 2.91Å; Q33-S47 WeakPolarHBondContact O-CB 3.08Å
34S84.7Confident89.4Confident37 Ų3752.3 Ų52.326%0.25927%0.266SS..SBendtrans-147.4-179.4174.666.80000109.5A32 W142A32-S34 WeakPolarHBondContact CB-O 3.33Å; S34-W142 WeakPolarHBondContact O-CZ2 3.3Å
35G86.3Confident88.9Confident0 Ų053 Ų530%027%0.265CS..  trans885.9169.500000116.8E38 T141 W142 A143 Y144G35-E38 WeakPolarHBondContact CA-OE1 3.35Å; G35-E38 PolarHBondContact N-OE1 3.47Å; G35-T141 VanDerWaalsContact CA-OG1 3.24Å; G35-T141 WeakPolarHBondContact CA-OG1 3.36Å; G35-T141 CarbonylContact O-C 3.31Å; G35-T141 VanDerWaalsContact O-C 3.31Å; G35-T141 PolarHBondContact O-OG1 3.42Å; G35-W142 VanDerWaalsContact CA-NE1 3.33Å; G35-W142 PolarHBondContact O-N 3.03Å; G35-A143 WeakPolarHBondContact O-CA 3.34Å; G35-A143 VanDerWaalsContact O-CB 3.3Å; G35-A143 WeakPolarHBondContact O-CB 3.49Å; G35-A143 PolarHBondContact O-N 2.94Å; G35-Y144 PolarHBondContact O-N 3.46Å
36W91.1Very high88.4Confident0 Ų050.4 Ų50.40%025%0.253CS..SBendtrans-79.8-48.7165.9-83.864.6000110.3A29 S46 M48 V73 M77 L122 Y125 Y140 T141 A143 Y144A29-W36 HydrophobicContact CB-CZ2 4.49Å; A29-W36 PolarHBondContact O-NE1 2.84Å; W36-S46 WeakPolarHBondContact CB-O 3.44Å; W36-S46 PolarHBondContact N-O 3.47Å; W36-M48 HydrophobicContact CD2-CB 4.49Å; W36-M48 HydrophobicContact CH2-CG 4.48Å; W36-M48 HydrophobicContact CH2-SD 4.17Å; W36-M48 HydrophobicContact CZ2-CB 4.15Å; W36-M48 HydrophobicContact CZ2-CG 4.31Å; W36-M48 HydrophobicContact CZ2-SD 3.98Å; W36-V73 HydrophobicContact CH2-CG1 4.26Å; W36-V73 HydrophobicContact CZ3-CG1 4.34Å; W36-M77 HydrophobicContact CH2-CE 4.46Å; W36-M77 HydrophobicContact CH2-CG 4.47Å; W36-L122 HydrophobicContact CH2-CD2 4.2Å; W36-L122 HydrophobicContact CZ3-CD2 4.26Å; W36-Y125 HydrophobicContact CB-CE1 4.08Å; W36-Y125 HydrophobicContact CD2-CE2 4.44Å; W36-Y125 AromaticContact CE3-CD1 3.65Å; W36-Y125 HydrophobicContact CE3-CD1 3.65Å; W36-Y125 AromaticContact CE3-CD2 3.73Å; W36-Y125 HydrophobicContact CE3-CD2 3.73Å; W36-Y125 AromaticContact CE3-CE1 3.73Å; W36-Y125 HydrophobicContact CE3-CE1 3.73Å; W36-Y125 AromaticContact CE3-CE2 3.83Å; W36-Y125 HydrophobicContact CE3-CE2 3.83Å; W36-Y125 AromaticContact CE3-CG 3.65Å; W36-Y125 HydrophobicContact CE3-CG 3.65Å; W36-Y125 AromaticContact CE3-CZ 3.84Å; W36-Y125 HydrophobicContact CZ3-CD1 4.11Å; W36-Y125 AromaticContact CZ3-CD2 3.87Å; W36-Y125 HydrophobicContact CZ3-CD2 3.87Å; W36-Y125 HydrophobicContact CZ3-CE2 4.4Å; W36-Y125 AromaticContact CZ3-CG 3.72Å; W36-Y125 HydrophobicContact CZ3-CG 3.72Å; W36-Y140 WeakPolarHBondContact O-CA 3.34Å; W36-T141 PolarHBondContact O-N 3.31Å; W36-A143 HydrophobicContact CG-CB 4.44Å; W36-Y144 AromaticContact CE3-CD2 3.78Å; W36-Y144 HydrophobicContact CE3-CD2 3.78Å; W36-Y144 AromaticContact CZ3-CD2 3.94Å; W36-Y144 HydrophobicContact CZ3-CD2 3.94Å; W36-Y144 HydrophobicContact CZ3-CE2 4.46Å
37I90.4Very high88.2Confident1 Ų150.4 Ų50.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-137.5135.7172-72.5170.2000107.9Y45 S46 Y125 F129 Y138 E139 Y140I37-Y45 WeakPolarHBondContact O-CA 3.48Å; I37-S46 PolarHBondContact N-O 3.06Å; I37-S46 PolarHBondContact O-N 3.24Å; I37-Y125 HydrophobicContact CD1-CD1 4.32Å; I37-Y125 HydrophobicContact CD1-CE1 3.44Å; I37-Y125 VanDerWaalsContact CD1-CE1 3.44Å; I37-Y125 HydrophobicContact CG1-CE1 3.82Å; I37-F129 HydrophobicContact CB-CE1 4.39Å; I37-F129 HydrophobicContact CD1-CB 3.97Å; I37-F129 HydrophobicContact CD1-CD1 3.09Å; I37-F129 HydrophobicContact CD1-CD2 3.97Å; I37-F129 HydrophobicContact CD1-CE1 3.41Å; I37-F129 VanDerWaalsContact CD1-CE1 3.41Å; I37-F129 HydrophobicContact CD1-CE2 4.25Å; I37-F129 HydrophobicContact CD1-CG 3.4Å; I37-F129 HydrophobicContact CD1-CZ 3.99Å; I37-F129 HydrophobicContact CG1-CD1 4.49Å; I37-F129 HydrophobicContact CG2-CE1 3.95Å; I37-F129 HydrophobicContact CG2-CZ 4.39Å; I37-Y138 HydrophobicContact CG2-CD1 3.48Å; I37-Y138 VanDerWaalsContact CG2-CD1 3.48Å; I37-Y138 HydrophobicContact CG2-CE1 4.34Å; I37-Y138 HydrophobicContact CG2-CG 4.21Å; I37-E139 WeakPolarHBondContact CA-O 3.48Å; I37-Y140 HydrophobicContact CD1-CD1 4.1Å; I37-Y140 HydrophobicContact CD1-CE1 3.44Å; I37-Y140 VanDerWaalsContact CD1-CE1 3.44Å; I37-Y140 HydrophobicContact CG1-CD1 3.52Å; I37-Y140 HydrophobicContact CG1-CE1 3.42Å; I37-Y140 VanDerWaalsContact CG1-CE1 3.42Å; I37-Y140 HydrophobicContact CG1-CG 4.28Å
38E88.8Confident87.8Confident39 Ų3946.5 Ų46.518%0.18223%0.233CC..EExtended strand (participates in β ladder)trans-134.2139.5172.2-70.4166.8171.200108.4G35 H44 E139 T141G35-E38 WeakPolarHBondContact CA-OE1 3.35Å; G35-E38 PolarHBondContact N-OE1 3.47Å; E38-H44 WeakPolarHBondContact CA-O 3.26Å; E38-E139 PolarHBondContact N-O 3.39Å; E38-E139 PolarHBondContact O-N 2.77Å; E38-T141 HydrophobicContact CB-CG2 3.96Å; E38-T141 HydrophobicContact CG-CG2 4.42Å; E38-T141 WeakPolarHBondContact OE2-CG2 3.38Å; E38-T141 PolarHBondContact OE2-OG1 2.84Å
39D86.2Confident87.6Confident13 Ų1347.5 Ų47.57%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-77.8149.9169.1-179.642.6000110.2E41 N42 T43 H44 E137 Y138D39-E41 PolarHBondContact O-N 3.18Å; D39-N42 WeakPolarHBondContact O-CA 3.4Å; D39-N42 PolarHBondContact O-N 3.29Å; D39-T43 PolarHBondContact OD2-OG1 3.32Å; D39-H44 HydrophobicContact CB-CB 3.98Å; D39-H44 PolarHBondContact N-O 2.98Å; D39-E137 PolarHBondContact OD1-N 3.01Å; D39-Y138 HydrophobicContact CB-CD1 4.09Å; D39-Y138 HydrophobicContact CB-CE1 3.71Å
40R80.4Confident87.4Confident162 Ų16253.1 Ų53.161%0.61126%0.258SS*.THydrogen-bonded Turntrans-59.6-29.8-177.7-167.1176.6-171179.210.4113.4N42 E137R40-N42 PolarHBondContact O-N 3.04Å; R40-E137 HydrophobicContact CB-CB 4.32Å; R40-E137 VanDerWaalsContact CD-OE2 3.29Å; R40-E137 WeakPolarHBondContact CD-OE2 3.31Å; R40-E137 IonicContact CZ-OE2 3.57Å; R40-E137 PolarHBondContact N-O 3.26Å; R40-E137 VanDerWaalsContact N-O 3.11Å; R40-E137 IonicContact NE-OE2 3.84Å; R40-E137 IonicContact NH1-OE2 2.71Å; R40-E137 PolarHBondContact NH1-OE2 3.24Å
41E79Confident87.1Confident152 Ų15252.7 Ų52.771%0.7126%0.256SS*.THydrogen-bonded Turntrans-830.3176.8-58.6-167.916900113D39 T43D39-E41 PolarHBondContact O-N 3.18Å; E41-T43 HydrophobicContact CB-CG2 3.95Å; E41-T43 PolarHBondContact O-N 3.27Å; E41-T43 VanDerWaalsContact O-N 3.13Å
42N75.8Confident86.8Confident121 Ų12149.7 Ų49.765%0.64723%0.231SC*.SBendtrans55.620.7-175.4-58.9-78.8000114D39 R40D39-N42 WeakPolarHBondContact O-CA 3.4Å; D39-N42 PolarHBondContact O-N 3.29Å; R40-N42 PolarHBondContact O-N 3.04Å
43T81Confident86.5Confident49 Ų4954.2 Ų54.230%0.30125%0.247SC..SBendtrans-85.2-21.5178.158.30000111.6D39 E41 R53 W54D39-T43 PolarHBondContact OD2-OG1 3.32Å; E41-T43 HydrophobicContact CB-CG2 3.95Å; E41-T43 PolarHBondContact O-N 3.27Å; E41-T43 VanDerWaalsContact O-N 3.13Å; T43-R53 CarbonylContact O-C 3.58Å; T43-W54 WeakPolarHBondContact O-CB 3.35Å; T43-W54 PolarHBondContact O-N 2.9Å
44H84.4Confident86.3Confident6 Ų654 Ų543%0.02824%0.239CC..EExtended strand (participates in β ladder)trans-131125.4179.6-175.4-150.4000109.5E38 D39 D51 C52 R53 Y138E38-H44 WeakPolarHBondContact CA-O 3.26Å; D39-H44 HydrophobicContact CB-CB 3.98Å; D39-H44 PolarHBondContact N-O 2.98Å; H44-D51 IonicContact CD2-OD1 3.64Å; H44-D51 PolarHBondContact CD2-OD1 2.85Å; H44-D51 IonicContact CE1-OD1 3.53Å; H44-D51 IonicContact NE2-OD1 3.48Å; H44-D51 PolarHBondContact NE2-OD1 3.23Å; H44-D51 IonicContact NE2-OD2 2.78Å; H44-C52 PolarHBondContact CD2-O 2.93Å; H44-C52 VanDerWaalsContact CD2-O 3.3Å; H44-R53 WeakPolarHBondContact CD2-CG 3.31Å; H44-R53 PolarHBondContact NE2-NE 3.24Å; H44-Y138 HydrophobicContact CB-CE1 4.12Å; H44-Y138 AromaticContact CE1-CE1 3.89Å; H44-Y138 AromaticContact CG-CE1 3.88Å; H44-Y138 AromaticContact ND1-CE1 2.99Å; H44-Y138 WeakPolarHBondContact ND1-CE1 3.35Å; H44-Y138 AromaticContact ND1-CZ 3.3Å; H44-Y138 VanDerWaalsContact ND1-CZ 3.3Å; H44-Y138 PolarHBondContact ND1-OH 3.01Å
45Y87.6Confident86Confident87 Ų8758.1 Ų58.134%0.34126%0.258SS..EExtended strand (participates in β ladder)trans-135139.8172.666.9-89.1000110.1I37 C52I37-Y45 WeakPolarHBondContact O-CA 3.48Å; Y45-C52 HydrophobicContact CD1-CB 4.21Å; Y45-C52 HydrophobicContact CD2-CB 4.15Å; Y45-C52 HydrophobicContact CE1-CB 3.7Å; Y45-C52 HydrophobicContact CE2-CB 3.65Å; Y45-C52 HydrophobicContact CG-CB 4.42Å; Y45-C52 PolarHBondContact N-O 3.15Å; Y45-C52 PolarHBondContact O-N 3.44Å
46S87.9Confident85.5Confident1 Ų159.6 Ų59.61%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-127.3147.2178-173.70000110.7W36 I37 K50 D51 Y125 F129W36-S46 WeakPolarHBondContact CB-O 3.44Å; W36-S46 PolarHBondContact N-O 3.47Å; I37-S46 PolarHBondContact N-O 3.06Å; I37-S46 PolarHBondContact O-N 3.24Å; S46-K50 PolarHBondContact OG-O 3.37Å; S46-D51 WeakPolarHBondContact CB-OD1 3.2Å; S46-Y125 PolarHBondContact OG-OH 3.04Å; S46-Y125 VanDerWaalsContact OG-OH 3.12Å; S46-F129 WeakPolarHBondContact OG-CE2 3.16Å
47S91.2Very high84.6Confident1 Ų169.4 Ų69.41%0.00732%0.318CS..  trans-117.8-177.5168.962.20000109.7A32 Q33 W49 K50 L64 Y125A32-S47 WeakPolarHBondContact O-CB 3.46Å; Q33-S47 WeakPolarHBondContact O-CB 3.08Å; S47-W49 PolarHBondContact O-N 3.25Å; S47-W49 PolarHBondContact OG-N 3.43Å; S47-K50 PolarHBondContact N-O 3.39Å; S47-K50 PolarHBondContact OG-N 3.46Å; S47-K50 PolarHBondContact OG-O 3.18Å; S47-L64 WeakPolarHBondContact O-CD2 3.44Å; S47-Y125 PolarHBondContact O-OH 3.31Å
48M89.5Confident83.7Confident1 Ų176.9 Ų76.91%0.00535%0.353CS..SBendtrans-64.2-19.7170.8-159.4176.569.600113.1I30 W36 V73 A74 M77I30-M48 HydrophobicContact CG2-CE 4.1Å; W36-M48 HydrophobicContact CD2-CB 4.49Å; W36-M48 HydrophobicContact CH2-CG 4.48Å; W36-M48 HydrophobicContact CH2-SD 4.17Å; W36-M48 HydrophobicContact CZ2-CB 4.15Å; W36-M48 HydrophobicContact CZ2-CG 4.31Å; W36-M48 HydrophobicContact CZ2-SD 3.98Å; M48-V73 HydrophobicContact CG-CG1 4.15Å; M48-V73 HydrophobicContact SD-CG1 4.05Å; M48-A74 HydrophobicContact CE-CB 3.58Å; M48-A74 HydrophobicContact CG-CB 4.3Å; M48-A74 VanDerWaalsContact SD-CA 3.56Å; M48-A74 HydrophobicContact SD-CB 4.05Å; M48-M77 HydrophobicContact SD-CB 4.17Å; M48-M77 HydrophobicContact SD-CG 3.97Å
49W93.1Very high83.2Confident78 Ų7878.2 Ų78.230%0.29537%0.367SS..SBendtrans-111.2-35.4-169.7-52.9103.1000114.6I30 S47 S63 L64 M65 A74 I78I30-W49 HydrophobicContact CG2-CZ2 3.95Å; I30-W49 PolarHBondContact O-NE1 2.99Å; S47-W49 PolarHBondContact O-N 3.25Å; S47-W49 PolarHBondContact OG-N 3.43Å; W49-S63 PolarHBondContact O-OG 3.33Å; W49-L64 PolarHBondContact O-N 2.93Å; W49-M65 HydrophobicContact CE3-CE 4.24Å; W49-M65 HydrophobicContact CE3-CG 3.87Å; W49-M65 HydrophobicContact CE3-SD 3.61Å; W49-M65 HydrophobicContact CZ3-CE 3.92Å; W49-M65 HydrophobicContact CZ3-CG 4.47Å; W49-M65 HydrophobicContact CZ3-SD 3.85Å; W49-A74 HydrophobicContact CH2-CB 4.07Å; W49-A74 HydrophobicContact CZ3-CB 4.02Å; W49-I78 HydrophobicContact CH2-CD1 3.75Å; W49-I78 HydrophobicContact CZ2-CD1 4.38Å
50K91.1Very high83.2Confident117 Ų11782.5 Ų82.551%0.50939%0.39SS..EExtended strand (participates in β ladder)trans-139.3146.5-170.4-65.6-176.1179.9-178.80110S46 S47 S62S46-K50 PolarHBondContact OG-O 3.37Å; S47-K50 PolarHBondContact N-O 3.39Å; S47-K50 PolarHBondContact OG-N 3.46Å; S47-K50 PolarHBondContact OG-O 3.18Å; K50-S62 WeakPolarHBondContact CA-O 3.45Å
51D89.4Confident83.6Confident9 Ų977.6 Ų77.65%0.04838%0.38CS..EExtended strand (participates in β ladder)trans-123.1119.3175.3-175.932.3000108.5H44 S46 C61 S62 L64H44-D51 IonicContact CD2-OD1 3.64Å; H44-D51 PolarHBondContact CD2-OD1 2.85Å; H44-D51 IonicContact CE1-OD1 3.53Å; H44-D51 IonicContact NE2-OD1 3.48Å; H44-D51 PolarHBondContact NE2-OD1 3.23Å; H44-D51 IonicContact NE2-OD2 2.78Å; S46-D51 WeakPolarHBondContact CB-OD1 3.2Å; D51-C61 WeakPolarHBondContact O-CA 3.35Å; D51-S62 PolarHBondContact N-O 3.4Å; D51-S62 PolarHBondContact O-N 3.24Å; D51-S62 PolarHBondContact O-OG 3.06Å; D51-L64 HydrophobicContact CB-CD1 3.54Å
52C88.9Confident84Confident4 Ų473.2 Ų73.23%0.02737%0.366CS..EExtended strand (participates in β ladder)trans-125.7124.6-168.9-71.10000111.2H44 Y45 D60 C61H44-C52 PolarHBondContact CD2-O 2.93Å; H44-C52 VanDerWaalsContact CD2-O 3.3Å; Y45-C52 HydrophobicContact CD1-CB 4.21Å; Y45-C52 HydrophobicContact CD2-CB 4.15Å; Y45-C52 HydrophobicContact CE1-CB 3.7Å; Y45-C52 HydrophobicContact CE2-CB 3.65Å; Y45-C52 HydrophobicContact CG-CB 4.42Å; Y45-C52 PolarHBondContact N-O 3.15Å; Y45-C52 PolarHBondContact O-N 3.44Å; C52-D60 CarbonylContact C-O 3.57Å; C52-D60 WeakPolarHBondContact CA-O 3.41Å; C52-C61 HydrophobicContact CB-CB 4.22Å; C52-C61 WeakPolarHBondContact CB-SG 3.41Å; C52-C61 WeakPolarHBondContact SG-CB 3.4Å; C52-C61 CovalentContact SG-SG 2.05Å; C52-C61 PolarHBondContact SG-SG 2.84Å
53R85.7Confident84.8Confident102 Ų10270.1 Ų70.139%0.38535%0.354SS..EExtended strand (participates in β ladder)trans-115.9138.5179.8-69.8175.3-172.9-147.32.1110.6T43 H44 S59 D60T43-R53 CarbonylContact O-C 3.58Å; H44-R53 WeakPolarHBondContact CD2-CG 3.31Å; H44-R53 PolarHBondContact NE2-NE 3.24Å; R53-S59 CarbonylContact O-C 3.57Å; R53-S59 WeakPolarHBondContact O-CA 3.18Å; R53-D60 PolarHBondContact N-O 3.47Å; R53-D60 PolarHBondContact O-N 2.9Å
54W79.8Confident85.2Confident154 Ų15467.8 Ų67.858%0.58334%0.339SS*.EExtended strand (participates in β ladder)trans-92.2116.2176.3-152.691.5000108.9T43 G56T43-W54 WeakPolarHBondContact O-CB 3.35Å; T43-W54 PolarHBondContact O-N 2.9Å; W54-G56 VanDerWaalsContact CD2-O 3.24Å; W54-G56 WeakPolarHBondContact CH2-O 3.49Å; W54-G56 WeakPolarHBondContact CZ2-O 3.33Å; W54-G56 WeakPolarHBondContact CZ3-O 3.48Å
55L77.8Confident85.5Confident124 Ų12469.9 Ų69.965%0.64935%0.35SS*.  trans-110.433.1-172-71.7167000112.5E58 D60L55-E58 PolarHBondContact N-O 3.47Å; L55-D60 HydrophobicContact CD1-CB 3.58Å
56G76.8Confident85.7Confident30 Ų3071.2 Ų71.231%0.30936%0.363SS..SBendtrans94-129.6-166.900000109.8W54 E58W54-G56 VanDerWaalsContact CD2-O 3.24Å; W54-G56 WeakPolarHBondContact CH2-O 3.49Å; W54-G56 WeakPolarHBondContact CZ2-O 3.33Å; W54-G56 WeakPolarHBondContact CZ3-O 3.48Å; G56-E58 PolarHBondContact O-N 3.36Å
57E71.2Confident85.8Confident207 Ų20774 Ų7497%0.96738%0.376SS*.SBendtrans-67.1-9.4-173.4-61.5-169.7164.300115.5
58E73.1Confident86Confident158 Ų15878.5 Ų78.574%0.73841%0.407SS*.SBendtrans-130.7143-176-152.4169.4-163.900112.2L55 G56L55-E58 PolarHBondContact N-O 3.47Å; G56-E58 PolarHBondContact O-N 3.36Å
59S77.4Confident86.2Confident67 Ų6779.8 Ų79.847%0.46941%0.412SS..EExtended strand (participates in β ladder)trans-99.5114.8174.4600000110.2R53R53-S59 CarbonylContact O-C 3.57Å; R53-S59 WeakPolarHBondContact O-CA 3.18Å
60D85.9Confident86.2Confident102 Ų10276.1 Ų76.155%0.54540%0.398SS..EExtended strand (participates in β ladder)trans-88.9122.1174-173.920.8000109.9C52 R53 L55C52-D60 CarbonylContact C-O 3.57Å; C52-D60 WeakPolarHBondContact CA-O 3.41Å; R53-D60 PolarHBondContact N-O 3.47Å; R53-D60 PolarHBondContact O-N 2.9Å; L55-D60 HydrophobicContact CD1-CB 3.58Å
61C88.3Confident86.5Confident60 Ų6077 Ų7741%0.40540%0.398SS..EExtended strand (participates in β ladder)trans-121.6114.9-176.4-77.50000109.9D51 C52D51-C61 WeakPolarHBondContact O-CA 3.35Å; C52-C61 HydrophobicContact CB-CB 4.22Å; C52-C61 WeakPolarHBondContact CB-SG 3.41Å; C52-C61 WeakPolarHBondContact SG-CB 3.4Å; C52-C61 CovalentContact SG-SG 2.05Å; C52-C61 PolarHBondContact SG-SG 2.84Å
62S88.9Confident86.8Confident59 Ų5978.4 Ų78.441%0.41341%0.412SS..EExtended strand (participates in β ladder)trans-101.5153.4175.970.60000111.2K50 D51K50-S62 WeakPolarHBondContact CA-O 3.45Å; D51-S62 PolarHBondContact N-O 3.4Å; D51-S62 PolarHBondContact O-N 3.24Å; D51-S62 PolarHBondContact O-OG 3.06Å
63S91.1Very high87.1Confident56 Ų5678.2 Ų78.239%0.39241%0.41SS..EExtended strand (participates in β ladder)trans-83.6122.1174.6-167.50000110.4W49 M65 D66W49-S63 PolarHBondContact O-OG 3.33Å; S63-M65 PolarHBondContact O-N 3.46Å; S63-M65 WeakPolarHBondContact OG-CB 3.47Å; S63-M65 PolarHBondContact OG-N 3.32Å; S63-D66 PolarHBondContact O-N 2.95Å
64L89.6Confident87.6Confident1 Ų173.5 Ų73.51%0.00539%0.393CS..G310 helixtrans-69.3-20.2173.4-135.958.6000111.6S47 W49 D51 D66 Q67 W69 A70 Y125 F129S47-L64 WeakPolarHBondContact O-CD2 3.44Å; W49-L64 PolarHBondContact O-N 2.93Å; D51-L64 HydrophobicContact CB-CD1 3.54Å; L64-D66 PolarHBondContact O-N 3.5Å; L64-D66 VanDerWaalsContact O-N 3.09Å; L64-Q67 WeakPolarHBondContact O-CB 3.03Å; L64-Q67 PolarHBondContact O-N 3.4Å; L64-W69 HydrophobicContact CD2-CH2 4.02Å; L64-W69 HydrophobicContact CG-CH2 4.37Å; L64-A70 HydrophobicContact CB-CB 4.35Å; L64-A70 HydrophobicContact CG-CB 4.15Å; L64-A70 VanDerWaalsContact O-CB 3.26Å; L64-A70 WeakPolarHBondContact O-CB 3.31Å; L64-Y125 HydrophobicContact CD2-CE2 4.15Å; L64-F129 HydrophobicContact CD2-CE2 4.47Å
65M92.1Very high88.5Confident50 Ų5068.7 Ų68.725%0.24639%0.386CS..G310 helixtrans-66.7-5176.6-63.7-58.1-71.700113.8W49 S63 Q67 R71 A74W49-M65 HydrophobicContact CE3-CE 4.24Å; W49-M65 HydrophobicContact CE3-CG 3.87Å; W49-M65 HydrophobicContact CE3-SD 3.61Å; W49-M65 HydrophobicContact CZ3-CE 3.92Å; W49-M65 HydrophobicContact CZ3-CG 4.47Å; W49-M65 HydrophobicContact CZ3-SD 3.85Å; S63-M65 PolarHBondContact O-N 3.46Å; S63-M65 WeakPolarHBondContact OG-CB 3.47Å; S63-M65 PolarHBondContact OG-N 3.32Å; M65-Q67 PolarHBondContact O-N 3.34Å; M65-R71 HydrophobicContact CE-CB 4.38Å; M65-R71 HydrophobicContact CE-CG 3.79Å; M65-R71 WeakPolarHBondContact O-CG 3.02Å; M65-R71 PolarHBondContact O-NE 2.98Å; M65-R71 PolarHBondContact O-NH2 3.26Å; M65-R71 HydrophobicContact SD-CG 4.45Å; M65-A74 HydrophobicContact CE-CB 4.31Å; M65-A74 HydrophobicContact SD-CB 4.25Å
66D90.2Very high89.4Confident114 Ų11464.6 Ų64.661%0.6136%0.364SS*.G310 helixtrans-74.3-15.4167.6-68.5-34.4000112.5S63 L64S63-D66 PolarHBondContact O-N 2.95Å; L64-D66 PolarHBondContact O-N 3.5Å; L64-D66 VanDerWaalsContact O-N 3.09Å
67Q91Very high90.4Very high61 Ų6163.1 Ų63.129%0.28535%0.35SS..SBendtrans-90.9132179.6-54-58-37.600111.9L64 M65 W69 A70 R71L64-Q67 WeakPolarHBondContact O-CB 3.03Å; L64-Q67 PolarHBondContact O-N 3.4Å; M65-Q67 PolarHBondContact O-N 3.34Å; Q67-W69 VanDerWaalsContact C-N 3.35Å; Q67-W69 HydrophobicContact CB-CG 4.46Å; Q67-W69 HydrophobicContact CB-CZ2 4.49Å; Q67-W69 PolarHBondContact O-N 3.14Å; Q67-A70 HydrophobicContact CB-CB 4.02Å; Q67-A70 PolarHBondContact O-N 3.35Å; Q67-R71 WeakPolarHBondContact O-CG 3.5Å; Q67-R71 PolarHBondContact O-N 3.15Å
68S94.6Very high91.7Very high95 Ų9556.4 Ų56.466%0.66432%0.32SS*.Hα-helixtrans-62.3-39.6179.651.80000112.8R71 A72S68-R71 PolarHBondContact O-N 3.43Å; S68-A72 PolarHBondContact O-N 2.92Å
69W94.4Very high92.8Very high28 Ų2852.1 Ų52.111%0.10630%0.304CS..Hα-helixtrans-67.7-39.317866-97.8000111.9L64 Q67 A72 V73 I124 Y125 N128 F129L64-W69 HydrophobicContact CD2-CH2 4.02Å; L64-W69 HydrophobicContact CG-CH2 4.37Å; Q67-W69 VanDerWaalsContact C-N 3.35Å; Q67-W69 HydrophobicContact CB-CG 4.46Å; Q67-W69 HydrophobicContact CB-CZ2 4.49Å; Q67-W69 PolarHBondContact O-N 3.14Å; W69-A72 WeakPolarHBondContact O-CB 3.44Å; W69-A72 PolarHBondContact O-N 3.27Å; W69-A72 VanDerWaalsContact O-N 3.13Å; W69-V73 HydrophobicContact CE3-CG2 4.34Å; W69-V73 WeakPolarHBondContact O-CG2 3.46Å; W69-V73 PolarHBondContact O-N 3.11Å; W69-I124 HydrophobicContact CB-CG2 4.37Å; W69-Y125 HydrophobicContact CH2-CD2 4.42Å; W69-Y125 HydrophobicContact CH2-CE2 4.45Å; W69-Y125 AromaticContact CZ3-CD2 3.83Å; W69-Y125 HydrophobicContact CZ3-CD2 3.83Å; W69-Y125 HydrophobicContact CZ3-CE2 4.28Å; W69-Y125 HydrophobicContact CZ3-CG 4.42Å; W69-N128 HydrophobicContact CB-CB 4.36Å; W69-N128 HydrophobicContact CD2-CB 3.48Å; W69-N128 VanDerWaalsContact CD2-CB 3.48Å; W69-N128 HydrophobicContact CE3-CB 3.75Å; W69-N128 HydrophobicContact CG-CB 3.75Å; W69-N128 HydrophobicContact CZ2-CB 4.37Å; W69-N128 HydrophobicContact CZ3-CB 4.31Å; W69-F129 HydrophobicContact CH2-CB 4.37Å; W69-F129 HydrophobicContact CH2-CD2 4.1Å
70A93.6Very high93.8Very high1 Ų148.9 Ų48.91%0.00828%0.282CS..Hα-helixtrans-68-39.4178.400000111.2L64 Q67 A72 V73 A74L64-A70 HydrophobicContact CB-CB 4.35Å; L64-A70 HydrophobicContact CG-CB 4.15Å; L64-A70 VanDerWaalsContact O-CB 3.26Å; L64-A70 WeakPolarHBondContact O-CB 3.31Å; Q67-A70 HydrophobicContact CB-CB 4.02Å; Q67-A70 PolarHBondContact O-N 3.35Å; A70-A72 VanDerWaalsContact C-N 3.27Å; A70-A72 PolarHBondContact O-N 3.48Å; A70-V73 PolarHBondContact O-N 3.35Å; A70-A74 WeakPolarHBondContact O-CB 3.37Å; A70-A74 PolarHBondContact O-N 2.83Å
71R96Very high94.4Very high134 Ų13445.5 Ų45.551%0.50626%0.263SS..Hα-helixtrans-56.8-41.8169-70.9178.5-177.7165.414111.9M65 Q67 S68 A74 A75M65-R71 HydrophobicContact CE-CB 4.38Å; M65-R71 HydrophobicContact CE-CG 3.79Å; M65-R71 WeakPolarHBondContact O-CG 3.02Å; M65-R71 PolarHBondContact O-NE 2.98Å; M65-R71 PolarHBondContact O-NH2 3.26Å; M65-R71 HydrophobicContact SD-CG 4.45Å; Q67-R71 WeakPolarHBondContact O-CG 3.5Å; Q67-R71 PolarHBondContact O-N 3.15Å; S68-R71 PolarHBondContact O-N 3.43Å; R71-A74 PolarHBondContact O-N 3.11Å; R71-A75 WeakPolarHBondContact O-CB 3.19Å; R71-A75 PolarHBondContact O-N 2.88Å
72A96.4Very high94.9Very high40 Ų4047.3 Ų47.333%0.33127%0.268SS..Hα-helixtrans-66-44.2178.100000111.8S68 W69 A70 A74 A75 L76S68-A72 PolarHBondContact O-N 2.92Å; W69-A72 WeakPolarHBondContact O-CB 3.44Å; W69-A72 PolarHBondContact O-N 3.27Å; W69-A72 VanDerWaalsContact O-N 3.13Å; A70-A72 VanDerWaalsContact C-N 3.27Å; A70-A72 PolarHBondContact O-N 3.48Å; A72-A74 PolarHBondContact O-N 2.91Å; A72-A75 PolarHBondContact O-N 2.86Å; A72-L76 WeakPolarHBondContact O-CB 3.35Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.35Å; A72-L76 PolarHBondContact O-N 3.32Å
73V96.4Very high95.3Very high0 Ų046 Ų460%026%0.256CS..Hα-helixtrans-57.3-50174175.70000110.4W36 M48 W69 A70 A75 L76 M77 I124 Y125W36-V73 HydrophobicContact CH2-CG1 4.26Å; W36-V73 HydrophobicContact CZ3-CG1 4.34Å; M48-V73 HydrophobicContact CG-CG1 4.15Å; M48-V73 HydrophobicContact SD-CG1 4.05Å; W69-V73 HydrophobicContact CE3-CG2 4.34Å; W69-V73 WeakPolarHBondContact O-CG2 3.46Å; W69-V73 PolarHBondContact O-N 3.11Å; A70-V73 PolarHBondContact O-N 3.35Å; V73-A75 VanDerWaalsContact C-N 3.34Å; V73-A75 PolarHBondContact O-N 3.06Å; V73-L76 PolarHBondContact O-N 3.13Å; V73-M77 HydrophobicContact CG1-CG 4.33Å; V73-M77 VanDerWaalsContact O-CG 3.31Å; V73-M77 WeakPolarHBondContact O-CG 3.39Å; V73-M77 PolarHBondContact O-N 3.26Å; V73-I124 HydrophobicContact CG2-CB 3.87Å; V73-I124 HydrophobicContact CG2-CG2 3.53Å; V73-Y125 HydrophobicContact CG1-CD2 4.39Å
74A96.4Very high95.6Very high2 Ų243.4 Ų43.42%0.01724%0.238CC..Hα-helixtrans-59-43.9178.400000112.6M48 W49 M65 A70 R71 A72 M77 I78M48-A74 HydrophobicContact CE-CB 3.58Å; M48-A74 HydrophobicContact CG-CB 4.3Å; M48-A74 VanDerWaalsContact SD-CA 3.56Å; M48-A74 HydrophobicContact SD-CB 4.05Å; W49-A74 HydrophobicContact CH2-CB 4.07Å; W49-A74 HydrophobicContact CZ3-CB 4.02Å; M65-A74 HydrophobicContact CE-CB 4.31Å; M65-A74 HydrophobicContact SD-CB 4.25Å; A70-A74 WeakPolarHBondContact O-CB 3.37Å; A70-A74 PolarHBondContact O-N 2.83Å; R71-A74 PolarHBondContact O-N 3.11Å; A72-A74 PolarHBondContact O-N 2.91Å; A74-M77 PolarHBondContact O-N 3.32Å; A74-I78 WeakPolarHBondContact O-CB 3.43Å; A74-I78 WeakPolarHBondContact O-CD1 3.42Å; A74-I78 VanDerWaalsContact O-CG1 3.26Å; A74-I78 WeakPolarHBondContact O-CG1 3.48Å; A74-I78 PolarHBondContact O-N 3.43Å
75A97.1Very high96Very high53 Ų5346 Ų4644%0.43825%0.254SS..Hα-helixtrans-62.4-45.4176.800000112R71 A72 V73 I78 V79R71-A75 WeakPolarHBondContact O-CB 3.19Å; R71-A75 PolarHBondContact O-N 2.88Å; A72-A75 PolarHBondContact O-N 2.86Å; V73-A75 VanDerWaalsContact C-N 3.34Å; V73-A75 PolarHBondContact O-N 3.06Å; A75-I78 PolarHBondContact O-N 3.06Å; A75-V79 VanDerWaalsContact O-CB 3.31Å; A75-V79 WeakPolarHBondContact O-CB 3.42Å; A75-V79 WeakPolarHBondContact O-CG2 3.25Å; A75-V79 PolarHBondContact O-N 2.93Å
76L97.7Very high96.2Very high38 Ų3848.2 Ų48.220%0.19927%0.266CS..Hα-helixtrans-61.8-44.7178.7-71170.3000111.9A72 V73 G80 L117 I120 I124A72-L76 WeakPolarHBondContact O-CB 3.35Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.35Å; A72-L76 PolarHBondContact O-N 3.32Å; V73-L76 PolarHBondContact O-N 3.13Å; L76-G80 PolarHBondContact O-N 3.3Å; L76-L117 HydrophobicContact CD2-CD2 3.68Å; L76-I120 HydrophobicContact CD1-CB 4.33Å; L76-I120 HydrophobicContact CD1-CG2 3.78Å; L76-I124 HydrophobicContact CD1-CD1 4.07Å
77M97Very high96.5Very high0 Ų042.8 Ų42.80%024%0.237CC..Hα-helixtrans-65.9-45.2178.7-65-62.3-69.500111.7A29 I30 W36 M48 V73 A74 G80 L81 Q118A29-M77 HydrophobicContact CB-CE 4.46Å; I30-M77 HydrophobicContact CD1-CB 4.02Å; I30-M77 HydrophobicContact CG1-CB 3.88Å; W36-M77 HydrophobicContact CH2-CE 4.46Å; W36-M77 HydrophobicContact CH2-CG 4.47Å; M48-M77 HydrophobicContact SD-CB 4.17Å; M48-M77 HydrophobicContact SD-CG 3.97Å; V73-M77 HydrophobicContact CG1-CG 4.33Å; V73-M77 VanDerWaalsContact O-CG 3.31Å; V73-M77 WeakPolarHBondContact O-CG 3.39Å; V73-M77 PolarHBondContact O-N 3.26Å; A74-M77 PolarHBondContact O-N 3.32Å; M77-G80 PolarHBondContact O-N 3.49Å; M77-L81 PolarHBondContact O-N 3.45Å; M77-Q118 HydrophobicContact SD-CB 4.27Å; M77-Q118 HydrophobicContact SD-CG 4.26Å
78I97.8Very high96.7Very high65 Ų6542.4 Ų42.433%0.33323%0.234SC..Hα-helixtrans-66.1-45.1179.1-69.1164.3000111.6I30 W49 A74 A75 G80 L81 I82I30-I78 HydrophobicContact CG2-CG1 4.28Å; W49-I78 HydrophobicContact CH2-CD1 3.75Å; W49-I78 HydrophobicContact CZ2-CD1 4.38Å; A74-I78 WeakPolarHBondContact O-CB 3.43Å; A74-I78 WeakPolarHBondContact O-CD1 3.42Å; A74-I78 VanDerWaalsContact O-CG1 3.26Å; A74-I78 WeakPolarHBondContact O-CG1 3.48Å; A74-I78 PolarHBondContact O-N 3.43Å; A75-I78 PolarHBondContact O-N 3.06Å; I78-G80 VanDerWaalsContact C-N 3.3Å; I78-G80 PolarHBondContact O-N 3.01Å; I78-L81 PolarHBondContact O-N 3.39Å; I78-I82 HydrophobicContact CG2-CD1 3.98Å; I78-I82 WeakPolarHBondContact O-CG1 3.07Å; I78-I82 PolarHBondContact O-N 3.5Å
79V98.1Very high96.7Very high68 Ų6842.1 Ų42.141%0.41222%0.224SC..Hα-helixtrans-63.1-40.9177172.10000110.2A75 I82 I83 L117A75-V79 VanDerWaalsContact O-CB 3.31Å; A75-V79 WeakPolarHBondContact O-CB 3.42Å; A75-V79 WeakPolarHBondContact O-CG2 3.25Å; A75-V79 PolarHBondContact O-N 2.93Å; V79-I82 PolarHBondContact O-N 3.28Å; V79-I83 HydrophobicContact CG1-CD1 3.87Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 2.91Å; V79-L117 HydrophobicContact CG1-CD1 4.03Å
80G97.8Very high96.7Very high0 Ų043.7 Ų43.70%023%0.234CC..Hα-helixtrans-54.6-51.5171.500000112.2L76 M77 I78 I82 I83 L84 V114L76-G80 PolarHBondContact O-N 3.3Å; M77-G80 PolarHBondContact O-N 3.49Å; I78-G80 VanDerWaalsContact C-N 3.3Å; I78-G80 PolarHBondContact O-N 3.01Å; G80-I82 PolarHBondContact O-N 3.4Å; G80-I83 PolarHBondContact O-N 3.17Å; G80-L84 WeakPolarHBondContact O-CB 3.48Å; G80-L84 PolarHBondContact O-N 2.97Å; G80-V114 WeakPolarHBondContact O-CG2 3.38Å
81L98Very high96.5Very high30 Ų3043.7 Ų43.716%0.15723%0.234CC..Hα-helixtrans-59.6-42.4178.1174.160.2000112.5I23 D26 I27 I30 M77 I78 I83 L84 V85I23-L81 HydrophobicContact CG2-CD1 4.2Å; D26-L81 HydrophobicContact CB-CD1 4.11Å; I27-L81 HydrophobicContact CG1-CD1 4.17Å; I27-L81 HydrophobicContact CG1-CD2 3.88Å; I30-L81 HydrophobicContact CD1-CB 3.94Å; I30-L81 HydrophobicContact CD1-CD2 3.84Å; M77-L81 PolarHBondContact O-N 3.45Å; I78-L81 PolarHBondContact O-N 3.39Å; L81-I83 PolarHBondContact O-N 3.32Å; L81-L84 WeakPolarHBondContact O-CB 3.5Å; L81-L84 PolarHBondContact O-N 3.07Å; L81-V85 HydrophobicContact CD1-CG2 4.13Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.29Å
82I98.3Very high96.2Very high98 Ų9838.5 Ų38.550%0.50322%0.22SC..Hα-helixtrans-61.3-47178.1-68165.8000110.4I78 V79 G80 L84 V85 L86I78-I82 HydrophobicContact CG2-CD1 3.98Å; I78-I82 WeakPolarHBondContact O-CG1 3.07Å; I78-I82 PolarHBondContact O-N 3.5Å; V79-I82 PolarHBondContact O-N 3.28Å; G80-I82 PolarHBondContact O-N 3.4Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 2.89Å; I82-V85 PolarHBondContact O-N 2.99Å; I82-L86 WeakPolarHBondContact O-CG 3.45Å; I82-L86 PolarHBondContact O-N 3.33Å; I82-L86 VanDerWaalsContact O-N 3.11Å
83I98Very high95.9Very high33 Ų3340.7 Ų40.717%0.16923%0.229CC..Hα-helixtrans-65.7-37.8178.4-61.7167.8000110.6V79 G80 L81 L86 A87 L110 I113 V114 L117V79-I83 HydrophobicContact CG1-CD1 3.87Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 2.91Å; G80-I83 PolarHBondContact O-N 3.17Å; L81-I83 PolarHBondContact O-N 3.32Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-A87 WeakPolarHBondContact O-CB 3.44Å; I83-A87 PolarHBondContact O-N 3.48Å; I83-L110 HydrophobicContact CG2-CB 4.18Å; I83-L110 HydrophobicContact CG2-CD2 4.01Å; I83-I113 HydrophobicContact CD1-CG2 4.36Å; I83-V114 HydrophobicContact CB-CG2 3.68Å; I83-V114 HydrophobicContact CG2-CG2 3.51Å; I83-L117 HydrophobicContact CD1-CD1 3.88Å
84L97.9Very high95.4Very high0 Ų040.9 Ų40.90%023%0.23CC..Hα-helixtrans-61.1-44.1176.2178.457.1000111.9L19 A22 I23 G80 L81 I82 L86 A87 F88 L111 V114L19-L84 HydrophobicContact CD2-CD1 4.31Å; A22-L84 HydrophobicContact CB-CD2 4.15Å; I23-L84 HydrophobicContact CG1-CD2 3.78Å; I23-L84 HydrophobicContact CG1-CG 3.72Å; G80-L84 WeakPolarHBondContact O-CB 3.48Å; G80-L84 PolarHBondContact O-N 2.97Å; L81-L84 WeakPolarHBondContact O-CB 3.5Å; L81-L84 PolarHBondContact O-N 3.07Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 2.89Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.63Å; L84-A87 PolarHBondContact O-N 2.94Å; L84-F88 WeakPolarHBondContact O-CB 3.49Å; L84-F88 PolarHBondContact O-N 3.23Å; L84-L111 HydrophobicContact CD1-CD2 3.51Å; L84-V114 HydrophobicContact CB-CG1 4.07Å; L84-V114 HydrophobicContact CB-CG2 4.15Å
85V98Very high94.6Very high57 Ų5741.5 Ų41.535%0.34523%0.233SC..Hα-helixtrans-62-42.4175.4170.40000110.8I23 L81 I82 F88 I89I23-V85 HydrophobicContact CD1-CG2 4.26Å; I23-V85 HydrophobicContact CG1-CG2 4.39Å; L81-V85 HydrophobicContact CD1-CG2 4.13Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.29Å; I82-V85 PolarHBondContact O-N 2.99Å; V85-F88 WeakPolarHBondContact O-CB 3.5Å; V85-F88 PolarHBondContact O-N 3.39Å; V85-I89 HydrophobicContact CG1-CD1 4.2Å; V85-I89 WeakPolarHBondContact O-CG1 3.31Å; V85-I89 PolarHBondContact O-N 2.97Å
86L96.6Very high94Very high95 Ų9543.4 Ų43.450%0.49724%0.242SC..Hα-helixtrans-62.5-45175.3-67174.2000111.9I82 I83 L84 F88 I89 I90I82-L86 WeakPolarHBondContact O-CG 3.45Å; I82-L86 PolarHBondContact O-N 3.33Å; I82-L86 VanDerWaalsContact O-N 3.11Å; I83-L86 PolarHBondContact O-N 2.86Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.63Å; L86-F88 VanDerWaalsContact C-N 3.3Å; L86-F88 PolarHBondContact O-N 3.09Å; L86-I89 PolarHBondContact O-N 3.37Å; L86-I90 WeakPolarHBondContact O-CG1 3.28Å; L86-I90 PolarHBondContact O-N 2.93Å
87A95.8Very high93.1Very high0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-61.8-38.6176.700000111.8I83 L84 I90 C91 L110 L111I83-A87 WeakPolarHBondContact O-CB 3.44Å; I83-A87 PolarHBondContact O-N 3.48Å; L84-A87 PolarHBondContact O-N 2.94Å; A87-I90 PolarHBondContact O-N 3.48Å; A87-C91 VanDerWaalsContact O-CB 3.23Å; A87-C91 WeakPolarHBondContact O-CB 3.26Å; A87-C91 PolarHBondContact O-N 3.4Å; A87-L110 HydrophobicContact CB-CB 4.02Å; A87-L110 HydrophobicContact CB-CD1 4.4Å; A87-L111 HydrophobicContact CB-CD2 3.99Å; A87-L111 HydrophobicContact CB-CG 4.1Å
88F95.6Very high92.1Very high54 Ų5453.9 Ų53.924%0.23730%0.296CS..Hα-helixtrans-62.2-44.8174.2169.7-101.4000112.2P16 L19 L20 I23 L84 V85 L86 C91 A92P16-F88 HydrophobicContact CB-CE2 4.24Å; P16-F88 WeakPolarHBondContact O-CE2 3.41Å; L19-F88 HydrophobicContact CB-CD2 3.93Å; L20-F88 HydrophobicContact CB-CE2 4.26Å; I23-F88 HydrophobicContact CD1-CB 3.73Å; I23-F88 HydrophobicContact CD1-CD1 4.13Å; I23-F88 HydrophobicContact CD1-CD2 4.3Å; I23-F88 HydrophobicContact CD1-CG 3.79Å; L84-F88 WeakPolarHBondContact O-CB 3.49Å; L84-F88 PolarHBondContact O-N 3.23Å; V85-F88 WeakPolarHBondContact O-CB 3.5Å; V85-F88 PolarHBondContact O-N 3.39Å; L86-F88 VanDerWaalsContact C-N 3.3Å; L86-F88 PolarHBondContact O-N 3.09Å; F88-C91 PolarHBondContact O-N 2.95Å; F88-A92 WeakPolarHBondContact O-CB 3.44Å; F88-A92 PolarHBondContact O-N 3.41Å
89I94.9Very high90.8Very high89 Ų8951.8 Ų51.846%0.45629%0.286SS..Hα-helixtrans-62.4-47178-64.9168.6000110.4V85 L86 C91 A92 V93V85-I89 HydrophobicContact CG1-CD1 4.2Å; V85-I89 WeakPolarHBondContact O-CG1 3.31Å; V85-I89 PolarHBondContact O-N 2.97Å; L86-I89 PolarHBondContact O-N 3.37Å; I89-C91 VanDerWaalsContact C-N 3.32Å; I89-C91 PolarHBondContact O-N 2.96Å; I89-A92 PolarHBondContact O-N 2.88Å; I89-V93 HydrophobicContact CG2-CG2 4.38Å; I89-V93 VanDerWaalsContact O-CG2 3.31Å; I89-V93 WeakPolarHBondContact O-CG2 3.33Å; I89-V93 PolarHBondContact O-N 3.44Å
90I92.6Very high89.8Confident61 Ų6151.1 Ų51.131%0.31329%0.285SS..Hα-helixtrans-60.1-45.2178.1-64.3165.8000110.3L86 A87 S94 P103 S107 L110L86-I90 WeakPolarHBondContact O-CG1 3.28Å; L86-I90 PolarHBondContact O-N 2.93Å; A87-I90 PolarHBondContact O-N 3.48Å; I90-S94 VanDerWaalsContact O-CB 3.27Å; I90-S94 WeakPolarHBondContact O-CB 3.4Å; I90-S94 PolarHBondContact O-N 2.97Å; I90-P103 HydrophobicContact CG2-CB 4.04Å; I90-S107 WeakPolarHBondContact CG2-OG 3.12Å; I90-L110 HydrophobicContact CD1-CD1 3.76Å
91C90.2Very high88.8Confident1 Ų154 Ų541%0.00731%0.305CS..Hα-helixtrans-60.2-49.5176.9-179.90000111.8L19 A87 F88 I89 V93 S94 M95 F161L19-C91 HydrophobicContact CD1-CB 4.01Å; A87-C91 VanDerWaalsContact O-CB 3.23Å; A87-C91 WeakPolarHBondContact O-CB 3.26Å; A87-C91 PolarHBondContact O-N 3.4Å; F88-C91 PolarHBondContact O-N 2.95Å; I89-C91 VanDerWaalsContact C-N 3.32Å; I89-C91 PolarHBondContact O-N 2.96Å; C91-V93 PolarHBondContact O-N 2.9Å; C91-S94 PolarHBondContact O-N 3.47Å; C91-M95 VanDerWaalsContact O-CG 3.26Å; C91-M95 WeakPolarHBondContact O-CG 3.49Å; C91-M95 PolarHBondContact O-N 3.21Å; C91-F161 HydrophobicContact CB-CZ 4.36Å; C91-F161 WeakPolarHBondContact SG-CZ 3.48Å
92A90.2Very high88.2Confident24 Ų2454.6 Ų54.620%0.19832%0.318CS..Hα-helixtrans-61.2-45.1-179.400000111.8F88 I89 M95 C96F88-A92 WeakPolarHBondContact O-CB 3.44Å; F88-A92 PolarHBondContact O-N 3.41Å; I89-A92 PolarHBondContact O-N 2.88Å; A92-M95 PolarHBondContact O-N 3.1Å; A92-C96 PolarHBondContact O-N 3.41Å; A92-C96 PolarHBondContact O-SG 3.46Å
93V89.8Confident87.7Confident86 Ų8652 Ų5252%0.52131%0.308SS..Hα-helixtrans-62.6-46.2176.2173.10000110.7I89 C91 M95 C96 T97I89-V93 HydrophobicContact CG2-CG2 4.38Å; I89-V93 VanDerWaalsContact O-CG2 3.31Å; I89-V93 WeakPolarHBondContact O-CG2 3.33Å; I89-V93 PolarHBondContact O-N 3.44Å; C91-V93 PolarHBondContact O-N 2.9Å; V93-M95 PolarHBondContact O-N 3.23Å; V93-C96 WeakPolarHBondContact O-CB 3.44Å; V93-C96 PolarHBondContact O-N 3.44Å; V93-C96 VanDerWaalsContact O-N 3.07Å; V93-T97 PolarHBondContact O-N 3.39Å; V93-T97 PolarHBondContact O-OG1 2.87Å
94S85.3Confident87.2Confident4 Ų450.6 Ų50.63%0.02830%0.301CS..Hα-helixtrans-61.6-26.2179.1-176.40000113.5I90 C91 T97I90-S94 VanDerWaalsContact O-CB 3.27Å; I90-S94 WeakPolarHBondContact O-CB 3.4Å; I90-S94 PolarHBondContact O-N 2.97Å; C91-S94 PolarHBondContact O-N 3.47Å; S94-T97 PolarHBondContact O-OG1 3.35Å
95M80.3Confident86.8Confident15 Ų1554 Ų547%0.07432%0.318CS..Hα-helixtrans-87.8-17.5177.7-65.9-64.998.500113.2Y8 K12 P16 C91 A92 V93 L104Y8-M95 WeakPolarHBondContact OH-CE 3.3Å; K12-M95 HydrophobicContact CB-SD 4.48Å; P16-M95 HydrophobicContact CG-CG 4.12Å; C91-M95 VanDerWaalsContact O-CG 3.26Å; C91-M95 WeakPolarHBondContact O-CG 3.49Å; C91-M95 PolarHBondContact O-N 3.21Å; A92-M95 PolarHBondContact O-N 3.1Å; V93-M95 PolarHBondContact O-N 3.23Å; M95-L104 HydrophobicContact CE-CD1 4.25Å; M95-L104 HydrophobicContact CE-CD2 3.83Å; M95-L104 HydrophobicContact CE-CG 4.33Å
96C83.5Confident86.5Confident94 Ų9453.3 Ų53.364%0.63532%0.318SS*.Hα-helixtrans-81.3-23.5171.5-70.40000112.4A92 V93A92-C96 PolarHBondContact O-N 3.41Å; A92-C96 PolarHBondContact O-SG 3.46Å; V93-C96 WeakPolarHBondContact O-CB 3.44Å; V93-C96 PolarHBondContact O-N 3.44Å; V93-C96 VanDerWaalsContact O-N 3.07Å
97T79.3Confident86.3Confident83 Ų8348.9 Ų48.951%0.50930%0.295SS..SBendtrans-102.5176.6177.661.60000111.7V93 S94V93-T97 PolarHBondContact O-N 3.39Å; V93-T97 PolarHBondContact O-OG1 2.87Å; S94-T97 PolarHBondContact O-OG1 3.35Å
98E77.1Confident86.2Confident174 Ų17448.9 Ų48.981%0.81330%0.295SS*.  trans-59.4138.1168.7-70.4178.5179.100110.6S100E98-S100 PolarHBondContact O-N 2.97Å
99P68.8Low86.2Confident21 Ų2149.8 Ų49.814%0.13631%0.305CS..  trans-66.3120.5-177.622.7-29.1000111.2Y8 L104 I171 N172Y8-P99 HydrophobicContact CE1-CB 4.4Å; Y8-P99 HydrophobicContact CE1-CG 4.01Å; Y8-P99 WeakPolarHBondContact OH-CB 3.47Å; P99-L104 HydrophobicContact CB-CD1 4.43Å; P99-I171 HydrophobicContact CG-CG2 4.38Å; P99-N172 PolarHBondContact O-ND2 2.88Å
100S78.3Confident86.2Confident54 Ų5447.8 Ų47.838%0.37830%0.295SS..  trans-117144.7172.8570000110.2E98 G102 P103 L104E98-S100 PolarHBondContact O-N 2.97Å; S100-G102 VanDerWaalsContact C-N 3.34Å; S100-G102 PolarHBondContact O-N 3.38Å; S100-P103 WeakPolarHBondContact OG-CD 3.26Å; S100-P103 WeakPolarHBondContact OG-CG 3.29Å; S100-L104 WeakPolarHBondContact O-CD1 3.07Å
101S76.9Confident86.5Confident60 Ų6044.9 Ų44.942%0.4228%0.28SS..Hα-helixtrans-66.7-32.4-174.752.20000113.9I105S101-I105 WeakPolarHBondContact O-CB 3.38Å; S101-I105 WeakPolarHBondContact O-CD1 3.46Å; S101-I105 WeakPolarHBondContact O-CG1 3.25Å; S101-I105 PolarHBondContact O-N 3.16Å
102G85.9Confident86.8Confident43 Ų4349.4 Ų49.444%0.44330%0.3SS..Hα-helixtrans-58.4-61.7-177.700000114S100 L104 I105 A106S100-G102 VanDerWaalsContact C-N 3.34Å; S100-G102 PolarHBondContact O-N 3.38Å; G102-L104 VanDerWaalsContact C-N 3.3Å; G102-L104 PolarHBondContact O-N 2.67Å; G102-I105 PolarHBondContact O-N 3.19Å; G102-A106 WeakPolarHBondContact O-CB 3.38Å; G102-A106 PolarHBondContact O-N 2.91Å
103P87.4Confident87.2Confident43 Ų4351.6 Ų51.628%0.27931%0.307SS..Hα-helixtrans-61-34-178.3-25.435.2000114.2I90 S100 S107I90-P103 HydrophobicContact CG2-CB 4.04Å; S100-P103 WeakPolarHBondContact OG-CD 3.26Å; S100-P103 WeakPolarHBondContact OG-CG 3.29Å; P103-S107 WeakPolarHBondContact O-CB 3.43Å; P103-S107 PolarHBondContact O-N 3.5Å; P103-S107 PolarHBondContact O-OG 2.69Å
104L86.3Confident87.6Confident4 Ų447.5 Ų47.52%0.02128%0.283CS..Hα-helixtrans-67.4-46.9176.8-80.7155.4000111.3M95 P99 S100 G102 S107 G108 F161 I168M95-L104 HydrophobicContact CE-CD1 4.25Å; M95-L104 HydrophobicContact CE-CD2 3.83Å; M95-L104 HydrophobicContact CE-CG 4.33Å; P99-L104 HydrophobicContact CB-CD1 4.43Å; S100-L104 WeakPolarHBondContact O-CD1 3.07Å; G102-L104 VanDerWaalsContact C-N 3.3Å; G102-L104 PolarHBondContact O-N 2.67Å; L104-S107 PolarHBondContact O-N 3.21Å; L104-G108 PolarHBondContact O-N 3.03Å; L104-F161 HydrophobicContact CD2-CD1 3.44Å; L104-F161 VanDerWaalsContact CD2-CD1 3.44Å; L104-F161 HydrophobicContact CD2-CE1 3.76Å; L104-I168 HydrophobicContact CD1-CD1 3.48Å; L104-I168 VanDerWaalsContact CD1-CD1 3.48Å; L104-I168 HydrophobicContact CD1-CG1 4.28Å
105I89.6Confident88.2Confident73 Ų7347.5 Ų47.537%0.37428%0.283SS..Hα-helixtrans-63.6-44.4174.9-66.5166.9000110.6S101 G102 S107 G108 V109 S165S101-I105 WeakPolarHBondContact O-CB 3.38Å; S101-I105 WeakPolarHBondContact O-CD1 3.46Å; S101-I105 WeakPolarHBondContact O-CG1 3.25Å; S101-I105 PolarHBondContact O-N 3.16Å; G102-I105 PolarHBondContact O-N 3.19Å; I105-S107 VanDerWaalsContact C-N 3.33Å; I105-S107 PolarHBondContact O-N 3.27Å; I105-G108 PolarHBondContact O-N 2.78Å; I105-G108 VanDerWaalsContact O-N 3.16Å; I105-V109 HydrophobicContact CG2-CG2 4.41Å; I105-V109 WeakPolarHBondContact O-CG2 3.35Å; I105-V109 PolarHBondContact O-N 3.34Å; I105-S165 VanDerWaalsContact CG1-CB 3.44Å; I105-S165 WeakPolarHBondContact CG1-OG 3.46Å
106A91.8Very high89.1Confident42 Ų4250.6 Ų50.635%0.34730%0.299SS..Hα-helixtrans-58.6-45.717800000111.5G102 G108 V109 L110G102-A106 WeakPolarHBondContact O-CB 3.38Å; G102-A106 PolarHBondContact O-N 2.91Å; A106-G108 VanDerWaalsContact C-N 3.34Å; A106-G108 PolarHBondContact O-N 3.28Å; A106-V109 PolarHBondContact O-N 3.03Å; A106-L110 WeakPolarHBondContact O-CB 3.22Å; A106-L110 VanDerWaalsContact O-CG 3.26Å; A106-L110 WeakPolarHBondContact O-CG 3.5Å; A106-L110 PolarHBondContact O-N 3.46Å
107S92.9Very high89.8Confident1 Ų147.9 Ų47.91%0.00728%0.278CS..Hα-helixtrans-60.9-43.2175.6-56.80000111.5I90 P103 L104 I105 L110 L111I90-S107 WeakPolarHBondContact CG2-OG 3.12Å; P103-S107 WeakPolarHBondContact O-CB 3.43Å; P103-S107 PolarHBondContact O-N 3.5Å; P103-S107 PolarHBondContact O-OG 2.69Å; L104-S107 PolarHBondContact O-N 3.21Å; I105-S107 VanDerWaalsContact C-N 3.33Å; I105-S107 PolarHBondContact O-N 3.27Å; S107-L110 PolarHBondContact O-N 3.48Å; S107-L111 WeakPolarHBondContact O-CB 3.34Å; S107-L111 WeakPolarHBondContact O-CD1 3.49Å; S107-L111 WeakPolarHBondContact O-CG 3.41Å; S107-L111 PolarHBondContact O-N 3.33Å
108G93.3Very high90.6Very high0 Ų044 Ų440%025%0.254CS..Hα-helixtrans-58.6-49.1176.300000112.9L104 I105 A106 L110 L111 F112 S158L104-G108 PolarHBondContact O-N 3.03Å; I105-G108 PolarHBondContact O-N 2.78Å; I105-G108 VanDerWaalsContact O-N 3.16Å; A106-G108 VanDerWaalsContact C-N 3.34Å; A106-G108 PolarHBondContact O-N 3.28Å; G108-L110 PolarHBondContact O-N 2.91Å; G108-L111 PolarHBondContact O-N 3.31Å; G108-F112 PolarHBondContact O-N 2.93Å; G108-S158 WeakPolarHBondContact O-CB 3.26Å; G108-S158 PolarHBondContact O-OG 3.31Å; G108-S158 VanDerWaalsContact O-OG 3.07Å
109V95.1Very high91.6Very high73 Ų7340.3 Ų40.344%0.44224%0.236SC..Hα-helixtrans-63.3-43.6178.4174.80000111.7I105 A106 L111 F112 I113I105-V109 HydrophobicContact CG2-CG2 4.41Å; I105-V109 WeakPolarHBondContact O-CG2 3.35Å; I105-V109 PolarHBondContact O-N 3.34Å; A106-V109 PolarHBondContact O-N 3.03Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 3.37Å; V109-F112 WeakPolarHBondContact O-CB 3.48Å; V109-F112 PolarHBondContact O-N 3.43Å; V109-I113 HydrophobicContact CG1-CD1 4.16Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å; V109-I113 PolarHBondContact O-N 3.24Å
110L96.8Very high93Very high47 Ų4743 Ų4325%0.24625%0.248CC..Hα-helixtrans-61-43.7177.1-70.6172.1000111.3I83 A87 I90 A106 S107 G108 F112 I113 V114I83-L110 HydrophobicContact CG2-CB 4.18Å; I83-L110 HydrophobicContact CG2-CD2 4.01Å; A87-L110 HydrophobicContact CB-CB 4.02Å; A87-L110 HydrophobicContact CB-CD1 4.4Å; I90-L110 HydrophobicContact CD1-CD1 3.76Å; A106-L110 WeakPolarHBondContact O-CB 3.22Å; A106-L110 VanDerWaalsContact O-CG 3.26Å; A106-L110 WeakPolarHBondContact O-CG 3.5Å; A106-L110 PolarHBondContact O-N 3.46Å; S107-L110 PolarHBondContact O-N 3.48Å; G108-L110 PolarHBondContact O-N 2.91Å; L110-F112 VanDerWaalsContact C-N 3.31Å; L110-F112 PolarHBondContact O-N 3.24Å; L110-I113 WeakPolarHBondContact O-CB 3.27Å; L110-I113 PolarHBondContact O-N 3.11Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.35Å
111L97.6Very high93.9Very high0 Ų040.5 Ų40.50%023%0.231CC..Hα-helixtrans-65.8-33.1177.6-70168.7000112.8L19 L84 A87 S107 G108 V109 V114 A115 C157 F161L19-L111 HydrophobicContact CD1-CD1 4.2Å; L19-L111 HydrophobicContact CD2-CD1 3.81Å; L19-L111 HydrophobicContact CD2-CD2 3.58Å; L19-L111 HydrophobicContact CD2-CG 4.36Å; L84-L111 HydrophobicContact CD1-CD2 3.51Å; A87-L111 HydrophobicContact CB-CD2 3.99Å; A87-L111 HydrophobicContact CB-CG 4.1Å; S107-L111 WeakPolarHBondContact O-CB 3.34Å; S107-L111 WeakPolarHBondContact O-CD1 3.49Å; S107-L111 WeakPolarHBondContact O-CG 3.41Å; S107-L111 PolarHBondContact O-N 3.33Å; G108-L111 PolarHBondContact O-N 3.31Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 3.37Å; L111-V114 PolarHBondContact O-N 3Å; L111-A115 WeakPolarHBondContact O-CB 3.49Å; L111-A115 PolarHBondContact O-N 3.19Å; L111-C157 HydrophobicContact CD1-CB 3.94Å; L111-F161 HydrophobicContact CD1-CD2 3.54Å; L111-F161 HydrophobicContact CD1-CE2 3.52Å
112F97.4Very high94.8Very high96 Ų9637.6 Ų37.642%0.42121%0.211SC..Hα-helixtrans-63.6-44.1171.6-172.9-109.6000111.7G108 V109 L110 A115 L116 L155 S158G108-F112 PolarHBondContact O-N 2.93Å; V109-F112 WeakPolarHBondContact O-CB 3.48Å; V109-F112 PolarHBondContact O-N 3.43Å; L110-F112 VanDerWaalsContact C-N 3.31Å; L110-F112 PolarHBondContact O-N 3.24Å; F112-A115 PolarHBondContact O-N 2.93Å; F112-L116 HydrophobicContact CD1-CD1 3.9Å; F112-L116 HydrophobicContact CD1-CG 4.41Å; F112-L116 HydrophobicContact CE1-CD1 3.47Å; F112-L116 VanDerWaalsContact CE1-CD1 3.47Å; F112-L116 HydrophobicContact CE1-CG 4.09Å; F112-L116 HydrophobicContact CZ-CD1 4Å; F112-L116 HydrophobicContact CZ-CD2 4.32Å; F112-L116 HydrophobicContact CZ-CG 4.22Å; F112-L116 WeakPolarHBondContact O-CG 3.26Å; F112-L116 PolarHBondContact O-N 3.24Å; F112-L155 HydrophobicContact CD2-CD1 3.93Å; F112-L155 HydrophobicContact CE2-CD1 4.05Å; F112-S158 WeakPolarHBondContact CB-OG 3.17Å
113I98Very high95.3Very high70 Ų7038.9 Ų38.936%0.35921%0.207SC..Hα-helixtrans-61.7-45.1176.3-65.9166000110.3I83 V109 L110 A115 L116 L117I83-I113 HydrophobicContact CD1-CG2 4.36Å; V109-I113 HydrophobicContact CG1-CD1 4.16Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å; V109-I113 PolarHBondContact O-N 3.24Å; L110-I113 WeakPolarHBondContact O-CB 3.27Å; L110-I113 PolarHBondContact O-N 3.11Å; I113-A115 PolarHBondContact O-N 3.47Å; I113-L116 PolarHBondContact O-N 3.36Å; I113-L117 HydrophobicContact CG2-CD1 4.06Å; I113-L117 HydrophobicContact CG2-CG 4.39Å; I113-L117 WeakPolarHBondContact O-CG 3.27Å; I113-L117 PolarHBondContact O-N 2.89Å
114V98.3Very high95.7Very high0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-55.3-51.5174.9170.20000110.9G80 I83 L84 L110 L111 L116 L117 Q118 C154G80-V114 WeakPolarHBondContact O-CG2 3.38Å; I83-V114 HydrophobicContact CB-CG2 3.68Å; I83-V114 HydrophobicContact CG2-CG2 3.51Å; L84-V114 HydrophobicContact CB-CG1 4.07Å; L84-V114 HydrophobicContact CB-CG2 4.15Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 3.35Å; L111-V114 PolarHBondContact O-N 3Å; V114-L116 VanDerWaalsContact C-N 3.28Å; V114-L116 PolarHBondContact O-N 3.13Å; V114-L117 PolarHBondContact O-N 3Å; V114-Q118 HydrophobicContact CG1-CG 4.31Å; V114-Q118 VanDerWaalsContact CG1-NE2 3.34Å; V114-Q118 WeakPolarHBondContact O-CG 3.29Å; V114-Q118 PolarHBondContact O-N 2.81Å; V114-C154 HydrophobicContact CG1-CB 4.37Å
115A98.1Very high96Very high4 Ų439 Ų393%0.03320%0.204CC..Hα-helixtrans-60.2-38.6-179.500000112L111 F112 I113 F119 T151 C154 L155L111-A115 WeakPolarHBondContact O-CB 3.49Å; L111-A115 PolarHBondContact O-N 3.19Å; F112-A115 PolarHBondContact O-N 2.93Å; I113-A115 PolarHBondContact O-N 3.47Å; A115-F119 WeakPolarHBondContact O-CB 3.3Å; A115-F119 PolarHBondContact O-N 2.96Å; A115-T151 HydrophobicContact CB-CG2 4.31Å; A115-C154 HydrophobicContact CB-CB 4.18Å; A115-L155 HydrophobicContact CB-CB 4.06Å; A115-L155 HydrophobicContact CB-CD1 4.35Å
116L98.2Very high96.2Very high81 Ų8136.2 Ų36.242%0.42419%0.191SC..Hα-helixtrans-65.1-45.7175-73.5178.3000112.5F112 I113 V114 F119 I120F112-L116 HydrophobicContact CD1-CD1 3.9Å; F112-L116 HydrophobicContact CD1-CG 4.41Å; F112-L116 HydrophobicContact CE1-CD1 3.47Å; F112-L116 VanDerWaalsContact CE1-CD1 3.47Å; F112-L116 HydrophobicContact CE1-CG 4.09Å; F112-L116 HydrophobicContact CZ-CD1 4Å; F112-L116 HydrophobicContact CZ-CD2 4.32Å; F112-L116 HydrophobicContact CZ-CG 4.22Å; F112-L116 WeakPolarHBondContact O-CG 3.26Å; F112-L116 PolarHBondContact O-N 3.24Å; I113-L116 PolarHBondContact O-N 3.36Å; V114-L116 VanDerWaalsContact C-N 3.28Å; V114-L116 PolarHBondContact O-N 3.13Å; L116-F119 PolarHBondContact O-N 3.42Å; L116-I120 WeakPolarHBondContact O-CB 3.44Å; L116-I120 WeakPolarHBondContact O-CD1 3.4Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.43Å
117L98Very high96.2Very high37 Ų3738.4 Ų38.419%0.19420%0.2CC..Hα-helixtrans-62.2-47.7179.4-68.1172.8000111.4L76 V79 I83 I113 V114 I120 G121L76-L117 HydrophobicContact CD2-CD2 3.68Å; V79-L117 HydrophobicContact CG1-CD1 4.03Å; I83-L117 HydrophobicContact CD1-CD1 3.88Å; I113-L117 HydrophobicContact CG2-CD1 4.06Å; I113-L117 HydrophobicContact CG2-CG 4.39Å; I113-L117 WeakPolarHBondContact O-CG 3.27Å; I113-L117 PolarHBondContact O-N 2.89Å; V114-L117 PolarHBondContact O-N 3Å; L117-I120 PolarHBondContact O-N 3.06Å; L117-G121 PolarHBondContact O-N 3.35Å
118Q97.8Very high96.1Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-63.8-45.2177.6-68.7166.4-2100111.3D26 M77 V114 I120 G121 L122 T151D26-Q118 PolarHBondContact OD1-NE2 2.85Å; D26-Q118 PolarHBondContact OD2-NE2 3.35Å; M77-Q118 HydrophobicContact SD-CB 4.27Å; M77-Q118 HydrophobicContact SD-CG 4.26Å; V114-Q118 HydrophobicContact CG1-CG 4.31Å; V114-Q118 VanDerWaalsContact CG1-NE2 3.34Å; V114-Q118 WeakPolarHBondContact O-CG 3.29Å; V114-Q118 PolarHBondContact O-N 2.81Å; Q118-I120 VanDerWaalsContact C-N 3.33Å; Q118-I120 PolarHBondContact O-N 3.48Å; Q118-G121 PolarHBondContact O-N 2.9Å; Q118-G121 VanDerWaalsContact O-N 3.17Å; Q118-L122 WeakPolarHBondContact O-CB 3.45Å; Q118-L122 VanDerWaalsContact O-CG 3.27Å; Q118-L122 WeakPolarHBondContact O-CG 3.37Å; Q118-L122 PolarHBondContact O-N 3.38Å; Q118-T151 HydrophobicContact CB-CG2 4.33Å; Q118-T151 VanDerWaalsContact CB-OG1 3.28Å; Q118-T151 WeakPolarHBondContact CB-OG1 3.38Å; Q118-T151 PolarHBondContact OE1-OG1 2.86Å
119F98.1Very high95.8Very high98 Ų9840.9 Ų40.943%0.4321%0.213SC..Hα-helixtrans-56.7-46.5176.6-178.1-90.7000111.6A115 L116 L122 I123 W148 T151A115-F119 WeakPolarHBondContact O-CB 3.3Å; A115-F119 PolarHBondContact O-N 2.96Å; L116-F119 PolarHBondContact O-N 3.42Å; F119-L122 PolarHBondContact O-N 3.36Å; F119-I123 HydrophobicContact CD1-CG1 4.26Å; F119-I123 HydrophobicContact CE1-CG1 3.9Å; F119-I123 HydrophobicContact CE2-CG1 4.47Å; F119-I123 HydrophobicContact CZ-CD1 4.37Å; F119-I123 HydrophobicContact CZ-CG1 4.01Å; F119-I123 VanDerWaalsContact O-CG1 3.3Å; F119-I123 WeakPolarHBondContact O-CG1 3.5Å; F119-I123 PolarHBondContact O-N 2.96Å; F119-W148 AromaticContact CD2-CH2 3.66Å; F119-W148 HydrophobicContact CD2-CH2 3.66Å; F119-W148 AromaticContact CD2-CZ3 3.52Å; F119-W148 HydrophobicContact CD2-CZ3 3.52Å; F119-W148 AromaticContact CE2-CH2 3.62Å; F119-W148 HydrophobicContact CE2-CH2 3.62Å; F119-W148 AromaticContact CE2-CZ3 3.69Å; F119-W148 HydrophobicContact CE2-CZ3 3.69Å; F119-T151 HydrophobicContact CB-CG2 4.21Å
120I97.8Very high95.3Very high78 Ų7841.4 Ų41.440%0.421%0.213SC..Hα-helixtrans-62.1-46.1177.5-67.1164.2000110.4L76 L116 L117 Q118 L122 I123 I124L76-I120 HydrophobicContact CD1-CB 4.33Å; L76-I120 HydrophobicContact CD1-CG2 3.78Å; L116-I120 WeakPolarHBondContact O-CB 3.44Å; L116-I120 WeakPolarHBondContact O-CD1 3.4Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.43Å; L117-I120 PolarHBondContact O-N 3.06Å; Q118-I120 VanDerWaalsContact C-N 3.33Å; Q118-I120 PolarHBondContact O-N 3.48Å; I120-L122 PolarHBondContact O-N 3.13Å; I120-I123 PolarHBondContact O-N 3.36Å; I120-I124 HydrophobicContact CG2-CD1 3.56Å; I120-I124 HydrophobicContact CG2-CG1 4.19Å; I120-I124 WeakPolarHBondContact O-CB 3.14Å; I120-I124 VanDerWaalsContact O-CG1 3.27Å; I120-I124 WeakPolarHBondContact O-CG1 3.44Å; I120-I124 PolarHBondContact O-N 3.25Å
121G96Very high94.7Very high0 Ų045.3 Ų45.30%023%0.234CC..Hα-helixtrans-58.8-45.7176.900000112.8L117 Q118 I123 I124 Y125L117-G121 PolarHBondContact O-N 3.35Å; Q118-G121 PolarHBondContact O-N 2.9Å; Q118-G121 VanDerWaalsContact O-N 3.17Å; G121-I123 VanDerWaalsContact C-N 3.28Å; G121-I123 PolarHBondContact O-N 3.46Å; G121-I124 PolarHBondContact O-N 3.38Å; G121-Y125 PolarHBondContact O-N 2.83Å; G121-Y125 VanDerWaalsContact O-N 3.13Å
122L96.2Very high93.8Very high0 Ų048.7 Ų48.70%025%0.247CC..Hα-helixtrans-67.2-24.1179.1-71.5165.9000113.4W36 Q118 F119 I120 P126 Y144 W148 T151W36-L122 HydrophobicContact CH2-CD2 4.2Å; W36-L122 HydrophobicContact CZ3-CD2 4.26Å; Q118-L122 WeakPolarHBondContact O-CB 3.45Å; Q118-L122 VanDerWaalsContact O-CG 3.27Å; Q118-L122 WeakPolarHBondContact O-CG 3.37Å; Q118-L122 PolarHBondContact O-N 3.38Å; F119-L122 PolarHBondContact O-N 3.36Å; I120-L122 PolarHBondContact O-N 3.13Å; L122-P126 WeakPolarHBondContact O-CD 3.17Å; L122-P126 VanDerWaalsContact O-CG 3.24Å; L122-P126 WeakPolarHBondContact O-CG 3.48Å; L122-Y144 HydrophobicContact CB-CE2 4.33Å; L122-Y144 HydrophobicContact CD2-CD2 3.75Å; L122-Y144 HydrophobicContact CD2-CE2 3.67Å; L122-Y144 WeakPolarHBondContact O-CE2 3.26Å; L122-Y144 PolarHBondContact O-OH 3.17Å; L122-W148 HydrophobicContact CB-CD2 4.49Å; L122-W148 HydrophobicContact CB-CH2 4.27Å; L122-W148 HydrophobicContact CB-CZ2 3.7Å; L122-W148 HydrophobicContact CD1-CD2 3.82Å; L122-W148 HydrophobicContact CD1-CE3 4.13Å; L122-W148 HydrophobicContact CD1-CG 4.06Å; L122-W148 HydrophobicContact CD1-CZ2 4.46Å; L122-T151 VanDerWaalsContact CD1-OG1 3.29Å; L122-T151 WeakPolarHBondContact CD1-OG1 3.2Å
123I96.8Very high92.8Very high70 Ų7046.2 Ų46.236%0.35924%0.238SC..Hα-helixtrans-87.5-38.9173.8-66.1-64.2000111.6F119 I120 G121 Y125 P126 V127 W148F119-I123 HydrophobicContact CD1-CG1 4.26Å; F119-I123 HydrophobicContact CE1-CG1 3.9Å; F119-I123 HydrophobicContact CE2-CG1 4.47Å; F119-I123 HydrophobicContact CZ-CD1 4.37Å; F119-I123 HydrophobicContact CZ-CG1 4.01Å; F119-I123 VanDerWaalsContact O-CG1 3.3Å; F119-I123 WeakPolarHBondContact O-CG1 3.5Å; F119-I123 PolarHBondContact O-N 2.96Å; I120-I123 PolarHBondContact O-N 3.36Å; G121-I123 VanDerWaalsContact C-N 3.28Å; G121-I123 PolarHBondContact O-N 3.46Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.02Å; I123-P126 VanDerWaalsContact O-CD 3.25Å; I123-P126 WeakPolarHBondContact O-CD 3.4Å; I123-P126 VanDerWaalsContact O-CG 3.28Å; I123-P126 WeakPolarHBondContact O-CG 3.23Å; I123-V127 HydrophobicContact CG2-CG2 4.11Å; I123-V127 WeakPolarHBondContact O-CB 3.18Å; I123-V127 WeakPolarHBondContact O-CG2 3.25Å; I123-V127 PolarHBondContact O-N 3.41Å; I123-W148 HydrophobicContact CD1-CH2 3.9Å; I123-W148 HydrophobicContact CD1-CZ2 3.93Å; I123-W148 HydrophobicContact CG1-CH2 4.24Å; I123-W148 HydrophobicContact CG1-CZ2 4.46Å
124I95.4Very high91Very high47 Ų4751.3 Ų51.324%0.24126%0.258CS..Hα-helixtrans-60.7-41.4178.6-72.7172.3000110.7W69 V73 L76 I120 G121 V127 N128W69-I124 HydrophobicContact CB-CG2 4.37Å; V73-I124 HydrophobicContact CG2-CB 3.87Å; V73-I124 HydrophobicContact CG2-CG2 3.53Å; L76-I124 HydrophobicContact CD1-CD1 4.07Å; I120-I124 HydrophobicContact CG2-CD1 3.56Å; I120-I124 HydrophobicContact CG2-CG1 4.19Å; I120-I124 WeakPolarHBondContact O-CB 3.14Å; I120-I124 VanDerWaalsContact O-CG1 3.27Å; I120-I124 WeakPolarHBondContact O-CG1 3.44Å; I120-I124 PolarHBondContact O-N 3.25Å; G121-I124 PolarHBondContact O-N 3.38Å; I124-V127 PolarHBondContact O-N 2.9Å; I124-N128 PolarHBondContact O-N 2.95Å; I124-N128 PolarHBondContact O-ND2 3.33Å
125Y93.6Very high89.3Confident1 Ų159.5 Ų59.50%0.00430%0.296CS..Hα-helixtrans-55.6-61-178.5-173.5-88000113.1W36 I37 S46 S47 L64 W69 V73 G121 I123 V127 N128 F129 Y140W36-Y125 HydrophobicContact CB-CE1 4.08Å; W36-Y125 HydrophobicContact CD2-CE2 4.44Å; W36-Y125 AromaticContact CE3-CD1 3.65Å; W36-Y125 HydrophobicContact CE3-CD1 3.65Å; W36-Y125 AromaticContact CE3-CD2 3.73Å; W36-Y125 HydrophobicContact CE3-CD2 3.73Å; W36-Y125 AromaticContact CE3-CE1 3.73Å; W36-Y125 HydrophobicContact CE3-CE1 3.73Å; W36-Y125 AromaticContact CE3-CE2 3.83Å; W36-Y125 HydrophobicContact CE3-CE2 3.83Å; W36-Y125 AromaticContact CE3-CG 3.65Å; W36-Y125 HydrophobicContact CE3-CG 3.65Å; W36-Y125 AromaticContact CE3-CZ 3.84Å; W36-Y125 HydrophobicContact CZ3-CD1 4.11Å; W36-Y125 AromaticContact CZ3-CD2 3.87Å; W36-Y125 HydrophobicContact CZ3-CD2 3.87Å; W36-Y125 HydrophobicContact CZ3-CE2 4.4Å; W36-Y125 AromaticContact CZ3-CG 3.72Å; W36-Y125 HydrophobicContact CZ3-CG 3.72Å; I37-Y125 HydrophobicContact CD1-CD1 4.32Å; I37-Y125 HydrophobicContact CD1-CE1 3.44Å; I37-Y125 VanDerWaalsContact CD1-CE1 3.44Å; I37-Y125 HydrophobicContact CG1-CE1 3.82Å; S46-Y125 PolarHBondContact OG-OH 3.04Å; S46-Y125 VanDerWaalsContact OG-OH 3.12Å; S47-Y125 PolarHBondContact O-OH 3.31Å; L64-Y125 HydrophobicContact CD2-CE2 4.15Å; W69-Y125 HydrophobicContact CH2-CD2 4.42Å; W69-Y125 HydrophobicContact CH2-CE2 4.45Å; W69-Y125 AromaticContact CZ3-CD2 3.83Å; W69-Y125 HydrophobicContact CZ3-CD2 3.83Å; W69-Y125 HydrophobicContact CZ3-CE2 4.28Å; W69-Y125 HydrophobicContact CZ3-CG 4.42Å; V73-Y125 HydrophobicContact CG1-CD2 4.39Å; G121-Y125 PolarHBondContact O-N 2.83Å; G121-Y125 VanDerWaalsContact O-N 3.13Å; I123-Y125 VanDerWaalsContact C-N 3.28Å; I123-Y125 PolarHBondContact O-N 3.02Å; Y125-V127 PolarHBondContact O-N 2.82Å; Y125-N128 PolarHBondContact O-N 3.47Å; Y125-F129 HydrophobicContact CE1-CD2 4.45Å; Y125-F129 WeakPolarHBondContact O-CB 2.85Å; Y125-F129 PolarHBondContact O-N 2.93Å; Y125-Y140 HydrophobicContact CD1-CE1 4.16Å; Y125-Y140 HydrophobicContact CE1-CE1 4.23Å
126P92.5Very high87.8Confident16 Ų1661.8 Ų61.810%0.10432%0.32CS..Hα-helixtrans-64.1-37.4179.926.6-36.8000113.1L122 I123 N128 F129 N130 Y140L122-P126 WeakPolarHBondContact O-CD 3.17Å; L122-P126 VanDerWaalsContact O-CG 3.24Å; L122-P126 WeakPolarHBondContact O-CG 3.48Å; I123-P126 VanDerWaalsContact O-CD 3.25Å; I123-P126 WeakPolarHBondContact O-CD 3.4Å; I123-P126 VanDerWaalsContact O-CG 3.28Å; I123-P126 WeakPolarHBondContact O-CG 3.23Å; P126-N128 VanDerWaalsContact C-N 3.31Å; P126-N128 PolarHBondContact O-N 3.42Å; P126-F129 PolarHBondContact O-N 3.26Å; P126-N130 WeakPolarHBondContact O-CB 3.28Å; P126-N130 PolarHBondContact O-N 3.47Å; P126-N130 PolarHBondContact O-ND2 3.06Å; P126-Y140 WeakPolarHBondContact CA-OH 3.29Å; P126-Y140 HydrophobicContact CB-CE1 3.68Å; P126-Y140 HydrophobicContact CB-CE2 4.31Å; P126-Y140 VanDerWaalsContact CB-CZ 3.45Å; P126-Y140 WeakPolarHBondContact CB-OH 3.48Å
127V93Very high86.8Confident88 Ų8863.4 Ų63.453%0.53333%0.325SS..Hα-helixtrans-60.6-41.5-179.7168.80000111.3I123 I124 Y125I123-V127 HydrophobicContact CG2-CG2 4.11Å; I123-V127 WeakPolarHBondContact O-CB 3.18Å; I123-V127 WeakPolarHBondContact O-CG2 3.25Å; I123-V127 PolarHBondContact O-N 3.41Å; I124-V127 PolarHBondContact O-N 2.9Å; Y125-V127 PolarHBondContact O-N 2.82Å
128N90.6Very high86.1Confident51 Ų5164 Ų6427%0.27333%0.325SS..Hα-helixtrans-88.3-28.5-179.6-71.1-96.9000112.9W69 I124 Y125 P126W69-N128 HydrophobicContact CB-CB 4.36Å; W69-N128 HydrophobicContact CD2-CB 3.48Å; W69-N128 VanDerWaalsContact CD2-CB 3.48Å; W69-N128 HydrophobicContact CE3-CB 3.75Å; W69-N128 HydrophobicContact CG-CB 3.75Å; W69-N128 HydrophobicContact CZ2-CB 4.37Å; W69-N128 HydrophobicContact CZ3-CB 4.31Å; I124-N128 PolarHBondContact O-N 2.95Å; I124-N128 PolarHBondContact O-ND2 3.33Å; Y125-N128 PolarHBondContact O-N 3.47Å; P126-N128 VanDerWaalsContact C-N 3.31Å; P126-N128 PolarHBondContact O-N 3.42Å
129F86.6Confident85.6Confident1 Ų169.2 Ų69.20%0.00435%0.35CS..Hα-helixtrans-73.4-32.5178.8-162.7-80.8000111.7I37 S46 L64 W69 Y125 P126 D131 R132 I133I37-F129 HydrophobicContact CB-CE1 4.39Å; I37-F129 HydrophobicContact CD1-CB 3.97Å; I37-F129 HydrophobicContact CD1-CD1 3.09Å; I37-F129 HydrophobicContact CD1-CD2 3.97Å; I37-F129 HydrophobicContact CD1-CE1 3.41Å; I37-F129 VanDerWaalsContact CD1-CE1 3.41Å; I37-F129 HydrophobicContact CD1-CE2 4.25Å; I37-F129 HydrophobicContact CD1-CG 3.4Å; I37-F129 HydrophobicContact CD1-CZ 3.99Å; I37-F129 HydrophobicContact CG1-CD1 4.49Å; I37-F129 HydrophobicContact CG2-CE1 3.95Å; I37-F129 HydrophobicContact CG2-CZ 4.39Å; S46-F129 WeakPolarHBondContact OG-CE2 3.16Å; L64-F129 HydrophobicContact CD2-CE2 4.47Å; W69-F129 HydrophobicContact CH2-CB 4.37Å; W69-F129 HydrophobicContact CH2-CD2 4.1Å; Y125-F129 HydrophobicContact CE1-CD2 4.45Å; Y125-F129 WeakPolarHBondContact O-CB 2.85Å; Y125-F129 PolarHBondContact O-N 2.93Å; P126-F129 PolarHBondContact O-N 3.26Å; F129-D131 PolarHBondContact O-N 2.93Å; F129-R132 WeakPolarHBondContact O-CA 3.24Å; F129-R132 WeakPolarHBondContact O-CB 3.48Å; F129-R132 PolarHBondContact O-N 3.39Å; F129-I133 HydrophobicContact CD1-CD1 3.92Å; F129-I133 HydrophobicContact CD1-CG1 4Å; F129-I133 HydrophobicContact CE1-CD1 4.18Å; F129-I133 HydrophobicContact CE1-CG1 4.01Å; F129-I133 PolarHBondContact O-N 2.77Å
130N85.4Confident85.2Confident85 Ų8568 Ų6846%0.45534%0.343SS..G310 helixtrans-58.1-34177.2-80.2-9.4000113.2P126 R132 I133 Y140P126-N130 WeakPolarHBondContact O-CB 3.28Å; P126-N130 PolarHBondContact O-N 3.47Å; P126-N130 PolarHBondContact O-ND2 3.06Å; N130-R132 PolarHBondContact O-N 3.4Å; N130-R132 VanDerWaalsContact O-N 3.11Å; N130-I133 PolarHBondContact O-N 2.93Å; N130-I133 VanDerWaalsContact O-N 3.15Å; N130-Y140 PolarHBondContact OD1-OH 3.43Å
131D83.8Confident84.9Confident128 Ų12865.9 Ų65.968%0.68433%0.334SS*.G310 helixtrans-66-12.5175.9-66.2-23.6000113.3F129F129-D131 PolarHBondContact O-N 2.93Å
132R78Confident84.8Confident71 Ų7171.3 Ų71.327%0.26835%0.354SS..G310 helixtrans-101.8-6.8179.4-57.6-175.9164.1-130-20.8113.3F129 N130 F134F129-R132 WeakPolarHBondContact O-CA 3.24Å; F129-R132 WeakPolarHBondContact O-CB 3.48Å; F129-R132 PolarHBondContact O-N 3.39Å; N130-R132 PolarHBondContact O-N 3.4Å; N130-R132 VanDerWaalsContact O-N 3.11Å; R132-F134 VanDerWaalsContact O-CD2 3.3Å; R132-F134 WeakPolarHBondContact O-CD2 3.39Å; R132-F134 PolarHBondContact O-N 3.49Å
133I77Confident84.7Confident45 Ų4571.3 Ų71.323%0.23135%0.354CS..  trans-83.799.6175.9-70.5170.2000106.8F129 N130 Y138F129-I133 HydrophobicContact CD1-CD1 3.92Å; F129-I133 HydrophobicContact CD1-CG1 4Å; F129-I133 HydrophobicContact CE1-CD1 4.18Å; F129-I133 HydrophobicContact CE1-CG1 4.01Å; F129-I133 PolarHBondContact O-N 2.77Å; N130-I133 PolarHBondContact O-N 2.93Å; N130-I133 VanDerWaalsContact O-N 3.15Å; I133-Y138 HydrophobicContact CB-CD2 4.1Å; I133-Y138 HydrophobicContact CB-CE2 4.2Å; I133-Y138 HydrophobicContact CD1-CD1 4.48Å; I133-Y138 HydrophobicContact CD1-CD2 3.7Å; I133-Y138 HydrophobicContact CD1-CE2 4.46Å; I133-Y138 HydrophobicContact CD1-CG 3.69Å; I133-Y138 HydrophobicContact CG1-CD2 3.65Å; I133-Y138 HydrophobicContact CG1-CE2 3.91Å; I133-Y138 HydrophobicContact CG1-CG 3.99Å; I133-Y138 HydrophobicContact CG2-CD2 3.36Å; I133-Y138 HydrophobicContact CG2-CE2 3.53Å; I133-Y138 HydrophobicContact CG2-CG 4.42Å
134F60.4Low84.6Confident176 Ų17669.3 Ų69.377%0.77234%0.342SS*.  trans-88.9-38178.8-72.9-82.4000111.7R132R132-F134 VanDerWaalsContact O-CD2 3.3Å; R132-F134 WeakPolarHBondContact O-CD2 3.39Å; R132-F134 PolarHBondContact O-N 3.49Å
135E62.7Low84.6Confident173 Ų17368.9 Ų68.981%0.80835%0.35SS*.SBendtrans-154.3141.7179-61.6-176.9166.900109.9Y138E135-Y138 WeakPolarHBondContact O-CE2 3.37Å
136G65.9Low84.8Confident52 Ų5272 Ų7254%0.53636%0.364SS..SBendtrans122.2160.6177.100000115.5
137E77.5Confident84.9Confident114 Ų11471.3 Ų71.353%0.53336%0.359SS..  trans-9599.9173.7-75.4-171.7170.200109.3D39 R40D39-E137 PolarHBondContact OD1-N 3.01Å; R40-E137 HydrophobicContact CB-CB 4.32Å; R40-E137 VanDerWaalsContact CD-OE2 3.29Å; R40-E137 WeakPolarHBondContact CD-OE2 3.31Å; R40-E137 IonicContact CZ-OE2 3.57Å; R40-E137 PolarHBondContact N-O 3.26Å; R40-E137 VanDerWaalsContact N-O 3.11Å; R40-E137 IonicContact NE-OE2 3.84Å; R40-E137 IonicContact NH1-OE2 2.71Å; R40-E137 PolarHBondContact NH1-OE2 3.24Å
138Y83.1Confident85.2Confident49 Ų4970 Ų7019%0.19234%0.344CS..EExtended strand (participates in β ladder)trans-91.9134-179.5-72-82.9000112.5I37 D39 H44 I133 E135I37-Y138 HydrophobicContact CG2-CD1 3.48Å; I37-Y138 VanDerWaalsContact CG2-CD1 3.48Å; I37-Y138 HydrophobicContact CG2-CE1 4.34Å; I37-Y138 HydrophobicContact CG2-CG 4.21Å; D39-Y138 HydrophobicContact CB-CD1 4.09Å; D39-Y138 HydrophobicContact CB-CE1 3.71Å; H44-Y138 HydrophobicContact CB-CE1 4.12Å; H44-Y138 AromaticContact CE1-CE1 3.89Å; H44-Y138 AromaticContact CG-CE1 3.88Å; H44-Y138 AromaticContact ND1-CE1 2.99Å; H44-Y138 WeakPolarHBondContact ND1-CE1 3.35Å; H44-Y138 AromaticContact ND1-CZ 3.3Å; H44-Y138 VanDerWaalsContact ND1-CZ 3.3Å; H44-Y138 PolarHBondContact ND1-OH 3.01Å; I133-Y138 HydrophobicContact CB-CD2 4.1Å; I133-Y138 HydrophobicContact CB-CE2 4.2Å; I133-Y138 HydrophobicContact CD1-CD1 4.48Å; I133-Y138 HydrophobicContact CD1-CD2 3.7Å; I133-Y138 HydrophobicContact CD1-CE2 4.46Å; I133-Y138 HydrophobicContact CD1-CG 3.69Å; I133-Y138 HydrophobicContact CG1-CD2 3.65Å; I133-Y138 HydrophobicContact CG1-CE2 3.91Å; I133-Y138 HydrophobicContact CG1-CG 3.99Å; I133-Y138 HydrophobicContact CG2-CD2 3.36Å; I133-Y138 HydrophobicContact CG2-CE2 3.53Å; I133-Y138 HydrophobicContact CG2-CG 4.42Å; E135-Y138 WeakPolarHBondContact O-CE2 3.37Å
139E88.1Confident85.5Confident111 Ų11168.5 Ų68.552%0.51934%0.341SS..EExtended strand (participates in β ladder)trans-115.9137.5174.9-63.4-172.117800110.7I37 E38 T141I37-E139 WeakPolarHBondContact CA-O 3.48Å; E38-E139 PolarHBondContact N-O 3.39Å; E38-E139 PolarHBondContact O-N 2.77Å; E139-T141 HydrophobicContact CB-CG2 4.1Å
140Y89.9Confident86Confident73 Ų7368.5 Ų68.529%0.28634%0.341SS..  trans-83.2114.7167.5-66-89.8000108.4W36 I37 Y125 P126 N130 Y144W36-Y140 WeakPolarHBondContact O-CA 3.34Å; I37-Y140 HydrophobicContact CD1-CD1 4.1Å; I37-Y140 HydrophobicContact CD1-CE1 3.44Å; I37-Y140 VanDerWaalsContact CD1-CE1 3.44Å; I37-Y140 HydrophobicContact CG1-CD1 3.52Å; I37-Y140 HydrophobicContact CG1-CE1 3.42Å; I37-Y140 VanDerWaalsContact CG1-CE1 3.42Å; I37-Y140 HydrophobicContact CG1-CG 4.28Å; Y125-Y140 HydrophobicContact CD1-CE1 4.16Å; Y125-Y140 HydrophobicContact CE1-CE1 4.23Å; P126-Y140 WeakPolarHBondContact CA-OH 3.29Å; P126-Y140 HydrophobicContact CB-CE1 3.68Å; P126-Y140 HydrophobicContact CB-CE2 4.31Å; P126-Y140 VanDerWaalsContact CB-CZ 3.45Å; P126-Y140 WeakPolarHBondContact CB-OH 3.48Å; N130-Y140 PolarHBondContact OD1-OH 3.43Å; Y140-Y144 VanDerWaalsContact CB-CD1 3.47Å; Y140-Y144 AromaticContact CD1-CD1 3.87Å; Y140-Y144 HydrophobicContact CD1-CD1 3.87Å; Y140-Y144 HydrophobicContact CD1-CD2 4.21Å; Y140-Y144 AromaticContact CD1-CE1 3.87Å; Y140-Y144 HydrophobicContact CD1-CE1 3.87Å; Y140-Y144 HydrophobicContact CD1-CE2 4.27Å; Y140-Y144 AromaticContact CD1-CG 3.99Å; Y140-Y144 HydrophobicContact CD1-CG 3.99Å; Y140-Y144 AromaticContact CG-CD1 3.94Å; Y140-Y144 HydrophobicContact CG-CD1 3.94Å; Y140-Y144 AromaticContact CG-CE1 3.93Å; Y140-Y144 HydrophobicContact CG-CE1 3.93Å; Y140-Y144 HydrophobicContact CG-CG 4.47Å
141T91.5Very high86.6Confident33 Ų3364.7 Ų64.720%0.20232%0.321CS..  trans-104.8-142.9-168.370.40000112.3G35 W36 E38 E139 G145G35-T141 VanDerWaalsContact CA-OG1 3.24Å; G35-T141 WeakPolarHBondContact CA-OG1 3.36Å; G35-T141 CarbonylContact O-C 3.31Å; G35-T141 VanDerWaalsContact O-C 3.31Å; G35-T141 PolarHBondContact O-OG1 3.42Å; W36-T141 PolarHBondContact O-N 3.31Å; E38-T141 HydrophobicContact CB-CG2 3.96Å; E38-T141 HydrophobicContact CG-CG2 4.42Å; E38-T141 WeakPolarHBondContact OE2-CG2 3.38Å; E38-T141 PolarHBondContact OE2-OG1 2.84Å; E139-T141 HydrophobicContact CB-CG2 4.1Å; T141-G145 PolarHBondContact O-N 3.06Å
142W93.2Very high87.2Confident113 Ų11364 Ų6443%0.42832%0.316SS..Hα-helixtrans-69.8-41.5-158.657.7-89.2000113.7I28 A32 S34 G35 G145 F146I28-W142 HydrophobicContact CG2-CE3 4.17Å; I28-W142 HydrophobicContact CG2-CZ3 3.63Å; A32-W142 HydrophobicContact CB-CH2 3.48Å; A32-W142 VanDerWaalsContact CB-CH2 3.48Å; A32-W142 HydrophobicContact CB-CZ2 4.34Å; A32-W142 HydrophobicContact CB-CZ3 3.87Å; S34-W142 WeakPolarHBondContact O-CZ2 3.3Å; G35-W142 VanDerWaalsContact CA-NE1 3.33Å; G35-W142 PolarHBondContact O-N 3.03Å; W142-G145 PolarHBondContact O-N 3.33Å; W142-F146 AromaticContact CE3-CD2 3.97Å; W142-F146 HydrophobicContact CE3-CD2 3.97Å; W142-F146 HydrophobicContact CE3-CE2 4.06Å; W142-F146 WeakPolarHBondContact O-CD2 3.43Å; W142-F146 PolarHBondContact O-N 2.95Å
143A94.1Very high88.2Confident0 Ų062.4 Ų62.40%031%0.313CS..Hα-helixtrans-69.6-39.9-176.200000111.2A29 A32 G35 W36 G145 F146 G147A29-A143 WeakPolarHBondContact CB-O 3.47Å; A32-A143 HydrophobicContact CB-CB 3.5Å; A32-A143 VanDerWaalsContact CB-CB 3.5Å; G35-A143 WeakPolarHBondContact O-CA 3.34Å; G35-A143 VanDerWaalsContact O-CB 3.3Å; G35-A143 WeakPolarHBondContact O-CB 3.49Å; G35-A143 PolarHBondContact O-N 2.94Å; W36-A143 HydrophobicContact CG-CB 4.44Å; A143-G145 VanDerWaalsContact C-N 3.35Å; A143-F146 PolarHBondContact O-N 3.45Å; A143-G147 PolarHBondContact O-N 3.2Å
144Y94.3Very high89.1Confident28 Ų2860.2 Ų60.211%0.1130%0.302CS..Hα-helixtrans-63.7-41.8172.5-177.3-106.7000111.5G35 W36 L122 Y140 F146 G147 W148G35-Y144 PolarHBondContact O-N 3.46Å; W36-Y144 AromaticContact CE3-CD2 3.78Å; W36-Y144 HydrophobicContact CE3-CD2 3.78Å; W36-Y144 AromaticContact CZ3-CD2 3.94Å; W36-Y144 HydrophobicContact CZ3-CD2 3.94Å; W36-Y144 HydrophobicContact CZ3-CE2 4.46Å; L122-Y144 HydrophobicContact CB-CE2 4.33Å; L122-Y144 HydrophobicContact CD2-CD2 3.75Å; L122-Y144 HydrophobicContact CD2-CE2 3.67Å; L122-Y144 WeakPolarHBondContact O-CE2 3.26Å; L122-Y144 PolarHBondContact O-OH 3.17Å; Y140-Y144 VanDerWaalsContact CB-CD1 3.47Å; Y140-Y144 AromaticContact CD1-CD1 3.87Å; Y140-Y144 HydrophobicContact CD1-CD1 3.87Å; Y140-Y144 HydrophobicContact CD1-CD2 4.21Å; Y140-Y144 AromaticContact CD1-CE1 3.87Å; Y140-Y144 HydrophobicContact CD1-CE1 3.87Å; Y140-Y144 HydrophobicContact CD1-CE2 4.27Å; Y140-Y144 AromaticContact CD1-CG 3.99Å; Y140-Y144 HydrophobicContact CD1-CG 3.99Å; Y140-Y144 AromaticContact CG-CD1 3.94Å; Y140-Y144 HydrophobicContact CG-CD1 3.94Å; Y140-Y144 AromaticContact CG-CE1 3.93Å; Y140-Y144 HydrophobicContact CG-CE1 3.93Å; Y140-Y144 HydrophobicContact CG-CG 4.47Å; Y144-F146 VanDerWaalsContact C-N 3.32Å; Y144-F146 PolarHBondContact O-N 3.49Å; Y144-G147 PolarHBondContact O-N 2.89Å; Y144-W148 AromaticContact CD1-CD1 3.71Å; Y144-W148 AromaticContact CD1-NE1 3.82Å; Y144-W148 AromaticContact CE1-CD1 3.45Å; Y144-W148 VanDerWaalsContact CE1-CD1 3.45Å; Y144-W148 AromaticContact CE1-NE1 3.08Å; Y144-W148 AromaticContact CE2-NE1 3.63Å; Y144-W148 AromaticContact CZ-CD1 3.74Å; Y144-W148 AromaticContact CZ-NE1 2.98Å; Y144-W148 PolarHBondContact O-N 2.92Å; Y144-W148 VanDerWaalsContact O-N 3.15Å; Y144-W148 PolarHBondContact OH-NE1 3.33Å
145G95.6Very high90.8Very high39 Ų3956.1 Ų56.140%0.40229%0.287SS..Hα-helixtrans-58.4-40.217300000113.3T141 W142 A143 W148 G149T141-G145 PolarHBondContact O-N 3.06Å; W142-G145 PolarHBondContact O-N 3.33Å; A143-G145 VanDerWaalsContact C-N 3.35Å; G145-W148 PolarHBondContact O-N 3.5Å; G145-G149 PolarHBondContact O-N 3.44Å
146F97Very high92.3Very high67 Ų6749.5 Ų49.529%0.29427%0.266SS..Hα-helixtrans-63.7-39.3174.9-80.3-64.3000112.7F25 I28 A29 W142 A143 Y144 W148 G149 A150F25-F146 HydrophobicContact CB-CB 4.29Å; F25-F146 HydrophobicContact CB-CD1 4.02Å; F25-F146 AromaticContact CD1-CD1 3.44Å; F25-F146 HydrophobicContact CD1-CD1 3.44Å; F25-F146 VanDerWaalsContact CD1-CD1 3.44Å; F25-F146 AromaticContact CD1-CE1 3.63Å; F25-F146 HydrophobicContact CD1-CE1 3.63Å; F25-F146 HydrophobicContact CD2-CD1 4.11Å; F25-F146 AromaticContact CE1-CD1 3.85Å; F25-F146 HydrophobicContact CE1-CD1 3.85Å; F25-F146 AromaticContact CE1-CE1 3.58Å; F25-F146 HydrophobicContact CE1-CE1 3.58Å; F25-F146 HydrophobicContact CE2-CD1 4.44Å; F25-F146 AromaticContact CG-CD1 3.6Å; F25-F146 HydrophobicContact CG-CD1 3.6Å; F25-F146 HydrophobicContact CG-CE1 4.22Å; F25-F146 HydrophobicContact CZ-CD1 4.32Å; F25-F146 HydrophobicContact CZ-CE1 4.13Å; I28-F146 HydrophobicContact CB-CD2 4.47Å; I28-F146 HydrophobicContact CG2-CB 4.43Å; I28-F146 HydrophobicContact CG2-CD2 3.57Å; I28-F146 HydrophobicContact CG2-CE2 3.99Å; I28-F146 HydrophobicContact CG2-CG 4.06Å; A29-F146 HydrophobicContact CB-CB 4.42Å; W142-F146 AromaticContact CE3-CD2 3.97Å; W142-F146 HydrophobicContact CE3-CD2 3.97Å; W142-F146 HydrophobicContact CE3-CE2 4.06Å; W142-F146 WeakPolarHBondContact O-CD2 3.43Å; W142-F146 PolarHBondContact O-N 2.95Å; A143-F146 PolarHBondContact O-N 3.45Å; Y144-F146 VanDerWaalsContact C-N 3.32Å; Y144-F146 PolarHBondContact O-N 3.49Å; F146-W148 PolarHBondContact O-N 3.47Å; F146-G149 PolarHBondContact O-N 2.87Å; F146-A150 PolarHBondContact O-N 3.31Å
147G96.4Very high93.7Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-60.4-44174.300000112.5A143 Y144 A150 T151A143-G147 PolarHBondContact O-N 3.2Å; Y144-G147 PolarHBondContact O-N 2.89Å; G147-A150 PolarHBondContact O-N 2.91Å; G147-T151 PolarHBondContact O-N 2.87Å; G147-T151 PolarHBondContact O-OG1 3.47Å
148W97.5Very high94.5Very high60 Ų6042.1 Ų42.123%0.22722%0.218CC..Hα-helixtrans-63.5-41.6172.8-80.3106.3000112.7F119 L122 I123 Y144 G145 F146 A150 T151 I152F119-W148 AromaticContact CD2-CH2 3.66Å; F119-W148 HydrophobicContact CD2-CH2 3.66Å; F119-W148 AromaticContact CD2-CZ3 3.52Å; F119-W148 HydrophobicContact CD2-CZ3 3.52Å; F119-W148 AromaticContact CE2-CH2 3.62Å; F119-W148 HydrophobicContact CE2-CH2 3.62Å; F119-W148 AromaticContact CE2-CZ3 3.69Å; F119-W148 HydrophobicContact CE2-CZ3 3.69Å; L122-W148 HydrophobicContact CB-CD2 4.49Å; L122-W148 HydrophobicContact CB-CH2 4.27Å; L122-W148 HydrophobicContact CB-CZ2 3.7Å; L122-W148 HydrophobicContact CD1-CD2 3.82Å; L122-W148 HydrophobicContact CD1-CE3 4.13Å; L122-W148 HydrophobicContact CD1-CG 4.06Å; L122-W148 HydrophobicContact CD1-CZ2 4.46Å; I123-W148 HydrophobicContact CD1-CH2 3.9Å; I123-W148 HydrophobicContact CD1-CZ2 3.93Å; I123-W148 HydrophobicContact CG1-CH2 4.24Å; I123-W148 HydrophobicContact CG1-CZ2 4.46Å; Y144-W148 AromaticContact CD1-CD1 3.71Å; Y144-W148 AromaticContact CD1-NE1 3.82Å; Y144-W148 AromaticContact CE1-CD1 3.45Å; Y144-W148 VanDerWaalsContact CE1-CD1 3.45Å; Y144-W148 AromaticContact CE1-NE1 3.08Å; Y144-W148 AromaticContact CE2-NE1 3.63Å; Y144-W148 AromaticContact CZ-CD1 3.74Å; Y144-W148 AromaticContact CZ-NE1 2.98Å; Y144-W148 PolarHBondContact O-N 2.92Å; Y144-W148 VanDerWaalsContact O-N 3.15Å; Y144-W148 PolarHBondContact OH-NE1 3.33Å; G145-W148 PolarHBondContact O-N 3.5Å; F146-W148 PolarHBondContact O-N 3.47Å; W148-A150 PolarHBondContact O-N 2.89Å; W148-T151 WeakPolarHBondContact O-CB 3.08Å; W148-T151 PolarHBondContact O-N 3.38Å; W148-I152 VanDerWaalsContact O-CG1 3.31Å; W148-I152 WeakPolarHBondContact O-CG1 3.09Å; W148-I152 PolarHBondContact O-N 3.27Å
149G97.3Very high94.8Very high21 Ų2146.8 Ų46.822%0.21624%0.24CC..Hα-helixtrans-57.9-48.4176.100000112.1G145 F146 T151 I152 I153G145-G149 PolarHBondContact O-N 3.44Å; F146-G149 PolarHBondContact O-N 2.87Å; G149-T151 VanDerWaalsContact C-N 3.35Å; G149-T151 PolarHBondContact O-N 3.07Å; G149-I152 PolarHBondContact O-N 3.37Å; G149-I153 VanDerWaalsContact O-CG1 3.26Å; G149-I153 WeakPolarHBondContact O-CG1 3.47Å; G149-I153 PolarHBondContact O-N 3.43Å
150A97.6Very high94.8Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-59.2-45.4175.800000111.7F25 D26 F146 G147 W148 I152 I153 C154F25-A150 HydrophobicContact CB-CB 3.98Å; D26-A150 HydrophobicContact CB-CB 4.37Å; D26-A150 VanDerWaalsContact OD1-CB 3.25Å; D26-A150 WeakPolarHBondContact OD1-CB 3.44Å; F146-A150 PolarHBondContact O-N 3.31Å; G147-A150 PolarHBondContact O-N 2.91Å; W148-A150 PolarHBondContact O-N 2.89Å; A150-I152 PolarHBondContact O-N 3.02Å; A150-I153 PolarHBondContact O-N 3.12Å; A150-C154 WeakPolarHBondContact O-CB 3.3Å; A150-C154 PolarHBondContact O-N 3.01Å; A150-C154 PolarHBondContact O-SG 3.5Å
151T97.6Very high94.7Very high6 Ų640.9 Ų40.94%0.03722%0.216CC..Hα-helixtrans-59.8-46.8179.2-55.10000112.2A115 Q118 F119 L122 G147 W148 G149 C154 L155A115-T151 HydrophobicContact CB-CG2 4.31Å; Q118-T151 HydrophobicContact CB-CG2 4.33Å; Q118-T151 VanDerWaalsContact CB-OG1 3.28Å; Q118-T151 WeakPolarHBondContact CB-OG1 3.38Å; Q118-T151 PolarHBondContact OE1-OG1 2.86Å; F119-T151 HydrophobicContact CB-CG2 4.21Å; L122-T151 VanDerWaalsContact CD1-OG1 3.29Å; L122-T151 WeakPolarHBondContact CD1-OG1 3.2Å; G147-T151 PolarHBondContact O-N 2.87Å; G147-T151 PolarHBondContact O-OG1 3.47Å; W148-T151 WeakPolarHBondContact O-CB 3.08Å; W148-T151 PolarHBondContact O-N 3.38Å; G149-T151 VanDerWaalsContact C-N 3.35Å; G149-T151 PolarHBondContact O-N 3.07Å; T151-C154 PolarHBondContact O-N 3.38Å; T151-L155 WeakPolarHBondContact O-CB 3.08Å; T151-L155 PolarHBondContact O-N 3.41Å
152I97.7Very high94.2Very high113 Ų11341.7 Ų41.758%0.57922%0.223SC*.Hα-helixtrans-65.1-42.6-179.9-68.6165.2000110.7W148 G149 A150 L155 G156W148-I152 VanDerWaalsContact O-CG1 3.31Å; W148-I152 WeakPolarHBondContact O-CG1 3.09Å; W148-I152 PolarHBondContact O-N 3.27Å; G149-I152 PolarHBondContact O-N 3.37Å; A150-I152 PolarHBondContact O-N 3.02Å; I152-L155 PolarHBondContact O-N 3.39Å; I152-G156 PolarHBondContact O-N 2.95Å
153I97.3Very high93.7Very high37 Ų3739 Ų3919%0.1922%0.221CC..Hα-helixtrans-61.8-45.8176.4-67.2166.7000110.4L18 A22 F25 G149 A150 L155 G156 C157L18-I153 HydrophobicContact CB-CG2 4.16Å; A22-I153 HydrophobicContact CB-CB 4.24Å; A22-I153 HydrophobicContact CB-CG2 3.91Å; F25-I153 HydrophobicContact CD2-CD1 4.03Å; F25-I153 HydrophobicContact CE2-CD1 3.94Å; G149-I153 VanDerWaalsContact O-CG1 3.26Å; G149-I153 WeakPolarHBondContact O-CG1 3.47Å; G149-I153 PolarHBondContact O-N 3.43Å; A150-I153 PolarHBondContact O-N 3.12Å; I153-L155 PolarHBondContact O-N 2.83Å; I153-G156 PolarHBondContact O-N 2.78Å; I153-C157 WeakPolarHBondContact O-CB 3.32Å; I153-C157 PolarHBondContact O-N 3.48Å; I153-C157 PolarHBondContact O-SG 3.5Å
154C97.2Very high92.9Very high0 Ų040.8 Ų40.80%023%0.23CC..Hα-helixtrans-60.7-45.2178.1-67.90000111.7V114 A115 A150 T151 C157 S158V114-C154 HydrophobicContact CG1-CB 4.37Å; A115-C154 HydrophobicContact CB-CB 4.18Å; A150-C154 WeakPolarHBondContact O-CB 3.3Å; A150-C154 PolarHBondContact O-N 3.01Å; A150-C154 PolarHBondContact O-SG 3.5Å; T151-C154 PolarHBondContact O-N 3.38Å; C154-C157 PolarHBondContact O-N 2.88Å; C154-S158 WeakPolarHBondContact O-CB 3.08Å; C154-S158 PolarHBondContact O-N 3.26Å
155L96.3Very high91.9Very high89 Ų8940.2 Ų40.247%0.46623%0.23SC..Hα-helixtrans-64.1-43.8178.7-173.163000112.1F112 A115 T151 I152 I153 S158 F159F112-L155 HydrophobicContact CD2-CD1 3.93Å; F112-L155 HydrophobicContact CE2-CD1 4.05Å; A115-L155 HydrophobicContact CB-CB 4.06Å; A115-L155 HydrophobicContact CB-CD1 4.35Å; T151-L155 WeakPolarHBondContact O-CB 3.08Å; T151-L155 PolarHBondContact O-N 3.41Å; I152-L155 PolarHBondContact O-N 3.39Å; I153-L155 PolarHBondContact O-N 2.83Å; L155-S158 WeakPolarHBondContact O-CB 3.32Å; L155-S158 PolarHBondContact O-N 3.18Å; L155-F159 PolarHBondContact O-N 2.84Å
156G94.4Very high90.8Very high35 Ų3542.7 Ų42.736%0.36124%0.241SC..Hα-helixtrans-62.9-46.6176.100000112.3I152 I153 S158 F159 I160I152-G156 PolarHBondContact O-N 2.95Å; I153-G156 PolarHBondContact O-N 2.78Å; G156-S158 VanDerWaalsContact C-N 3.34Å; G156-S158 PolarHBondContact O-N 3.15Å; G156-F159 PolarHBondContact O-N 2.85Å; G156-I160 VanDerWaalsContact O-CG1 3.3Å; G156-I160 WeakPolarHBondContact O-CG1 3.44Å; G156-I160 PolarHBondContact O-N 3.06Å; G156-I160 VanDerWaalsContact O-N 3.1Å
157C93.6Very high89.5Confident3 Ų341.3 Ų41.32%0.0224%0.239CC..Hα-helixtrans-63.1-40.3177.1-67.90000111.7L19 L111 I153 C154 F159 I160 F161L19-C157 HydrophobicContact CD2-CB 4.01Å; L111-C157 HydrophobicContact CD1-CB 3.94Å; I153-C157 WeakPolarHBondContact O-CB 3.32Å; I153-C157 PolarHBondContact O-N 3.48Å; I153-C157 PolarHBondContact O-SG 3.5Å; C154-C157 PolarHBondContact O-N 2.88Å; C157-F159 VanDerWaalsContact C-N 3.35Å; C157-F159 PolarHBondContact O-N 3.31Å; C157-I160 PolarHBondContact O-N 3.26Å; C157-F161 HydrophobicContact CB-CD2 4.26Å; C157-F161 HydrophobicContact CB-CE2 4.06Å; C157-F161 WeakPolarHBondContact O-CD2 3.47Å; C157-F161 PolarHBondContact O-N 3.19Å
158S94.4Very high88.4Confident8 Ų841.7 Ų41.76%0.05624%0.241CC..Hα-helixtrans-53.4-50.9175.5161.80000111.7G108 F112 C154 L155 G156 I160 F161 C162G108-S158 WeakPolarHBondContact O-CB 3.26Å; G108-S158 PolarHBondContact O-OG 3.31Å; G108-S158 VanDerWaalsContact O-OG 3.07Å; F112-S158 WeakPolarHBondContact CB-OG 3.17Å; C154-S158 WeakPolarHBondContact O-CB 3.08Å; C154-S158 PolarHBondContact O-N 3.26Å; L155-S158 WeakPolarHBondContact O-CB 3.32Å; L155-S158 PolarHBondContact O-N 3.18Å; G156-S158 VanDerWaalsContact C-N 3.34Å; G156-S158 PolarHBondContact O-N 3.15Å; S158-I160 PolarHBondContact O-N 3.15Å; S158-F161 PolarHBondContact O-N 3.42Å; S158-C162 PolarHBondContact O-N 3.28Å; S158-C162 VanDerWaalsContact O-N 3.14Å; S158-C162 PolarHBondContact O-SG 3.33Å; S158-C162 VanDerWaalsContact O-SG 3.39Å
159F90Very high86.9Confident147 Ų14741.8 Ų41.865%0.64525%0.249SC*.Hα-helixtrans-62.7-44.4178.6-172.9-99.7000111.7L155 G156 C157 F161 C162 C163L155-F159 PolarHBondContact O-N 2.84Å; G156-F159 PolarHBondContact O-N 2.85Å; C157-F159 VanDerWaalsContact C-N 3.35Å; C157-F159 PolarHBondContact O-N 3.31Å; F159-F161 PolarHBondContact O-N 3.19Å; F159-C162 PolarHBondContact O-N 2.89Å; F159-C163 WeakPolarHBondContact CE1-SG 3.37Å; F159-C163 VanDerWaalsContact CZ-SG 3.55Å; F159-C163 WeakPolarHBondContact O-CB 3.15Å; F159-C163 PolarHBondContact O-N 2.93Å; F159-C163 PolarHBondContact O-SG 3.24Å
160I88.9Confident85.6Confident58 Ų5846.4 Ų46.430%0.29726%0.264SS..Hα-helixtrans-60.2-45.3179.2-68166.9000111.2M15 G156 C157 S158 C163 I164M15-I160 HydrophobicContact CE-CD1 4.22Å; M15-I160 HydrophobicContact CE-CG2 4Å; M15-I160 HydrophobicContact SD-CD1 4.25Å; M15-I160 HydrophobicContact SD-CG2 3.87Å; G156-I160 VanDerWaalsContact O-CG1 3.3Å; G156-I160 WeakPolarHBondContact O-CG1 3.44Å; G156-I160 PolarHBondContact O-N 3.06Å; G156-I160 VanDerWaalsContact O-N 3.1Å; C157-I160 PolarHBondContact O-N 3.26Å; S158-I160 PolarHBondContact O-N 3.15Å; I160-C163 PolarHBondContact O-N 2.05Å; I160-I164 HydrophobicContact CG2-CD1 3.51Å; I160-I164 HydrophobicContact CG2-CG1 4.13Å; I160-I164 WeakPolarHBondContact O-CB 3.4Å; I160-I164 VanDerWaalsContact O-CG1 3.29Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 3.15Å
161F86.4Confident84.1Confident2 Ų249.7 Ų49.71%0.00928%0.28CS..Hα-helixtrans-62.9-43.5178.9-77.7-56000112.7M15 L19 C91 L104 L111 C157 S158 F159 C163 I164 S165M15-F161 HydrophobicContact CB-CE1 4.05Å; M15-F161 HydrophobicContact CB-CE2 4.44Å; M15-F161 HydrophobicContact CB-CZ 3.59Å; M15-F161 HydrophobicContact CG-CE1 4.32Å; M15-F161 HydrophobicContact CG-CZ 4.22Å; L19-F161 HydrophobicContact CD1-CE2 4.16Å; L19-F161 HydrophobicContact CD1-CZ 4.39Å; C91-F161 HydrophobicContact CB-CZ 4.36Å; C91-F161 WeakPolarHBondContact SG-CZ 3.48Å; L104-F161 HydrophobicContact CD2-CD1 3.44Å; L104-F161 VanDerWaalsContact CD2-CD1 3.44Å; L104-F161 HydrophobicContact CD2-CE1 3.76Å; L111-F161 HydrophobicContact CD1-CD2 3.54Å; L111-F161 HydrophobicContact CD1-CE2 3.52Å; C157-F161 HydrophobicContact CB-CD2 4.26Å; C157-F161 HydrophobicContact CB-CE2 4.06Å; C157-F161 WeakPolarHBondContact O-CD2 3.47Å; C157-F161 PolarHBondContact O-N 3.19Å; S158-F161 PolarHBondContact O-N 3.42Å; F159-F161 PolarHBondContact O-N 3.19Å; F161-C163 VanDerWaalsContact C-N 3.31Å; F161-C163 PolarHBondContact O-N 3.22Å; F161-I164 PolarHBondContact O-N 3.5Å; F161-S165 PolarHBondContact O-N 3.3Å; F161-S165 VanDerWaalsContact O-N 3.15Å
162C82.2Confident82.8Confident50 Ų5052.8 Ų52.834%0.33830%0.296SS..Hα-helixtrans-65.5-32.1175.4-68.50000112.8S158 F159 S165S158-C162 PolarHBondContact O-N 3.28Å; S158-C162 VanDerWaalsContact O-N 3.14Å; S158-C162 PolarHBondContact O-SG 3.33Å; S158-C162 VanDerWaalsContact O-SG 3.39Å; F159-C162 PolarHBondContact O-N 2.89Å; C162-S165 PolarHBondContact O-OG 2.98Å
163C81.1Confident81.3Confident57 Ų5750.3 Ų50.339%0.38530%0.299SS..Hα-helixtrans-76.8-41.7175.3-69.60000112.5F159 I160 F161 S165 S166F159-C163 WeakPolarHBondContact CE1-SG 3.37Å; F159-C163 VanDerWaalsContact CZ-SG 3.55Å; F159-C163 WeakPolarHBondContact O-CB 3.15Å; F159-C163 PolarHBondContact O-N 2.93Å; F159-C163 PolarHBondContact O-SG 3.24Å; I160-C163 PolarHBondContact O-N 2.05Å; F161-C163 VanDerWaalsContact C-N 3.31Å; F161-C163 PolarHBondContact O-N 3.22Å; C163-S165 VanDerWaalsContact C-N 3.25Å; C163-S165 PolarHBondContact O-N 3.11Å; C163-S166 PolarHBondContact O-N 3.17Å
164I77.6Confident79.8Confident37 Ų3753.8 Ų53.819%0.1932%0.318CS..Hα-helixtrans-61.6-35.7179.3-75.2174.1000111I160 F161 S166 C167 I168I160-I164 HydrophobicContact CG2-CD1 3.51Å; I160-I164 HydrophobicContact CG2-CG1 4.13Å; I160-I164 WeakPolarHBondContact O-CB 3.4Å; I160-I164 VanDerWaalsContact O-CG1 3.29Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 3.15Å; F161-I164 PolarHBondContact O-N 3.5Å; I164-S166 PolarHBondContact O-N 3.44Å; I164-S166 VanDerWaalsContact O-N 3.15Å; I164-C167 WeakPolarHBondContact O-CA 3.24Å; I164-C167 WeakPolarHBondContact O-CB 3.38Å; I164-C167 PolarHBondContact O-N 3.1Å; I164-I168 PolarHBondContact O-N 3.01Å
165S74.7Confident78.1Confident16 Ų1659.1 Ų59.111%0.11234%0.343CS..Hα-helixtrans-58.1-31179.964.60000113.6I105 F161 C162 C163 C167 I168I105-S165 VanDerWaalsContact CG1-CB 3.44Å; I105-S165 WeakPolarHBondContact CG1-OG 3.46Å; F161-S165 PolarHBondContact O-N 3.3Å; F161-S165 VanDerWaalsContact O-N 3.15Å; C162-S165 PolarHBondContact O-OG 2.98Å; C163-S165 VanDerWaalsContact C-N 3.25Å; C163-S165 PolarHBondContact O-N 3.11Å; S165-C167 VanDerWaalsContact C-N 3.26Å; S165-C167 PolarHBondContact O-N 2.91Å; S165-I168 PolarHBondContact O-N 2.84Å
166S72.8Confident75.9Confident91 Ų9163.2 Ų63.264%0.63636%0.357SS*.THydrogen-bonded Turntrans-72.1-20.6176.5-570000112.9C163 I164C163-S166 PolarHBondContact O-N 3.17Å; I164-S166 PolarHBondContact O-N 3.44Å; I164-S166 VanDerWaalsContact O-N 3.15Å
167C69.3Low73.7Confident38 Ų3868.5 Ų68.526%0.25738%0.376SS..THydrogen-bonded Turntrans-94.6-8.7180-65.50000113.2I164 S165 K170 I171I164-C167 WeakPolarHBondContact O-CA 3.24Å; I164-C167 WeakPolarHBondContact O-CB 3.38Å; I164-C167 PolarHBondContact O-N 3.1Å; S165-C167 VanDerWaalsContact C-N 3.26Å; S165-C167 PolarHBondContact O-N 2.91Å; C167-K170 WeakPolarHBondContact O-CA 3.43Å; C167-K170 VanDerWaalsContact O-CB 3.31Å; C167-K170 WeakPolarHBondContact O-CB 3.4Å; C167-K170 PolarHBondContact O-N 2.89Å; C167-I171 HydrophobicContact CB-CD1 4.44Å; C167-I171 WeakPolarHBondContact O-CG1 2.99Å; C167-I171 PolarHBondContact O-N 3.3Å; C167-I171 VanDerWaalsContact O-N 3.11Å
168I72.3Confident71.2Confident8 Ų875.4 Ų75.44%0.04141%0.412CS..Hα-helixtrans-56.7-43.5-178.1-68.8170.9000113.4L104 I164 S165 K170 I171 N172L104-I168 HydrophobicContact CD1-CD1 3.48Å; L104-I168 VanDerWaalsContact CD1-CD1 3.48Å; L104-I168 HydrophobicContact CD1-CG1 4.28Å; I164-I168 PolarHBondContact O-N 3.01Å; S165-I168 PolarHBondContact O-N 2.84Å; I168-K170 PolarHBondContact O-N 2.94Å; I168-K170 VanDerWaalsContact O-N 3.17Å; I168-I171 PolarHBondContact O-N 3.49Å; I168-N172 PolarHBondContact O-N 2.88Å
169P67.4Low68.8Low62 Ų6283.2 Ų83.240%0.40344%0.442SS..Hα-helixtrans-58.5-32.6177-23.433.7000112.6G173 D174 E175P169-G173 PolarHBondContact O-N 2.98Å; P169-D174 PolarHBondContact O-N 2.88Å; P169-E175 PolarHBondContact O-N 2.73Å
170K68.7Low66.3Low118 Ų11881.4 Ų81.451%0.51345%0.446SS..Hα-helixtrans-72.5-37.1176.6-44.3-161.7160.9-166.20112.6C167 I168 E175C167-K170 WeakPolarHBondContact O-CA 3.43Å; C167-K170 VanDerWaalsContact O-CB 3.31Å; C167-K170 WeakPolarHBondContact O-CB 3.4Å; C167-K170 PolarHBondContact O-N 2.89Å; I168-K170 PolarHBondContact O-N 2.94Å; I168-K170 VanDerWaalsContact O-N 3.17Å; K170-E175 HydrophobicContact CB-CG 4.28Å; K170-E175 WeakPolarHBondContact CB-OE1 3.42Å; K170-E175 WeakPolarHBondContact CD-OE1 3Å; K170-E175 WeakPolarHBondContact CE-OE1 2.86Å; K170-E175 HydrophobicContact CG-CG 4.1Å; K170-E175 WeakPolarHBondContact CG-OE1 3.16Å; K170-E175 IonicContact NZ-OE1 3.66Å
171I66.8Low64.2Low68 Ų6885.2 Ų85.235%0.34947%0.466SS..Hα-helixtrans-70.7-39.1179.6-66.2166.9000110.6Y8 P99 C167 I168 G173Y8-I171 HydrophobicContact CD1-CG2 3.93Å; Y8-I171 HydrophobicContact CD2-CD1 3.86Å; Y8-I171 HydrophobicContact CE1-CG2 4.3Å; Y8-I171 HydrophobicContact CE2-CD1 4.25Å; Y8-I171 HydrophobicContact CG-CD1 4.17Å; Y8-I171 HydrophobicContact CG-CG2 4.23Å; P99-I171 HydrophobicContact CG-CG2 4.38Å; C167-I171 HydrophobicContact CB-CD1 4.44Å; C167-I171 WeakPolarHBondContact O-CG1 2.99Å; C167-I171 PolarHBondContact O-N 3.3Å; C167-I171 VanDerWaalsContact O-N 3.11Å; I168-I171 PolarHBondContact O-N 3.49Å; I171-G173 PolarHBondContact O-N 2.87Å
172N70.5Confident62Low71 Ų7191.3 Ų91.338%0.3850%0.503SS..THydrogen-bonded Turntrans-77.6-10.4-179.9-68.3-4.8000113.1P99 I168 D174P99-N172 PolarHBondContact O-ND2 2.88Å; I168-N172 PolarHBondContact O-N 2.88Å; N172-D174 HydrophobicContact CB-CB 4.49Å; N172-D174 WeakPolarHBondContact CB-OD2 2.82Å
173G66.3Low59.8Low62 Ų62103.6 Ų103.664%0.63954%0.543SS*.THydrogen-bonded Turntrans74.915.7-173.600000113.4P169 I171 E175P169-G173 PolarHBondContact O-N 2.98Å; I171-G173 PolarHBondContact O-N 2.87Å; G173-E175 PolarHBondContact O-N 3.25Å
174D64.5Low58.7Low110 Ų110106 Ų10659%0.58855%0.551SS**  trans-84.711.7179-62.9-36.4000112.5P169 N172 K176P169-D174 PolarHBondContact O-N 2.88Å; N172-D174 HydrophobicContact CB-CB 4.49Å; N172-D174 WeakPolarHBondContact CB-OD2 2.82Å; D174-K176 PolarHBondContact O-N 3.17Å
175E61.7Low57.7Low111 Ų111109.6 Ų109.652%0.51957%0.569SS.*  trans-56.3113.4173.5-68.4-165.6155.400108P169 K170 G173 I177P169-E175 PolarHBondContact O-N 2.73Å; K170-E175 HydrophobicContact CB-CG 4.28Å; K170-E175 WeakPolarHBondContact CB-OE1 3.42Å; K170-E175 WeakPolarHBondContact CD-OE1 3Å; K170-E175 WeakPolarHBondContact CE-OE1 2.86Å; K170-E175 HydrophobicContact CG-CG 4.1Å; K170-E175 WeakPolarHBondContact CG-OE1 3.16Å; K170-E175 IonicContact NZ-OE1 3.66Å; G173-E175 PolarHBondContact O-N 3.25Å; E175-I177 PolarHBondContact O-N 3.13Å
176K49.7Very low56.8Low175 Ų175114.8 Ų114.876%0.76160%0.595SS**  trans-51.6121.3163.9-89.2-176.5176.1-179.90106D174 D178D174-K176 PolarHBondContact O-N 3.17Å; K176-D178 PolarHBondContact O-N 2.86Å
177I49.3Very low55.8Low146 Ų146116.2 Ų116.275%0.74959%0.592SS**  trans-50.2111.5166.7-41.3166.5000105.3E175 Y179E175-I177 PolarHBondContact O-N 3.13Å; I177-Y179 VanDerWaalsContact C-N 3.25Å; I177-Y179 VanDerWaalsContact O-CD1 3.24Å; I177-Y179 WeakPolarHBondContact O-CD1 3.29Å; I177-Y179 PolarHBondContact O-N 3.47Å
178D41.8Very low55Low149 Ų149121.1 Ų121.180%0.79761%0.613SS**  trans-64.895.7170.5-100.1-23.9000105.8K176 C180K176-D178 PolarHBondContact O-N 2.86Å; D178-C180 PolarHBondContact O-N 3.42Å
179Y43Very low53.8Low172 Ų172128.6 Ų128.668%0.67565%0.652SS**  trans-6893.8161.433.3-89000105.8I177 I181I177-Y179 VanDerWaalsContact C-N 3.25Å; I177-Y179 VanDerWaalsContact O-CD1 3.24Å; I177-Y179 WeakPolarHBondContact O-CD1 3.29Å; I177-Y179 PolarHBondContact O-N 3.47Å; Y179-I181 HydrophobicContact CD2-CD1 4.17Å; Y179-I181 HydrophobicContact CD2-CG1 4.24Å; Y179-I181 PolarHBondContact O-N 3.02Å
180C37.1Very low52.8Low108 Ų108133.4 Ų133.473%0.7367%0.669SS**  trans-5881.9156.7-71.80000107.7D178 T182D178-C180 PolarHBondContact O-N 3.42Å; C180-T182 PolarHBondContact O-N 3.11Å
181I44.8Very low51.6Low138 Ų138134.5 Ų134.571%0.70868%0.681SS**  trans-74.184.2156.9-57.9179000104.5Y179 R183Y179-I181 HydrophobicContact CD2-CD1 4.17Å; Y179-I181 HydrophobicContact CD2-CG1 4.24Å; Y179-I181 PolarHBondContact O-N 3.02Å; I181-R183 PolarHBondContact O-N 2.71Å; I181-R183 VanDerWaalsContact O-N 3.16Å
182T39.6Very low50.4Low131 Ų131140.1 Ų140.180%0.80471%0.709SS**  trans-56.8111.8157.733.10000107.1C180C180-T182 PolarHBondContact O-N 3.11Å
183R36.2Very low48.5Very low308 Ų308146.4 Ų146.4100%1.16274%0.739SS**  trans-105.10161.9-161.8-175.9-165.4-173.25108.6I181I181-R183 PolarHBondContact O-N 2.71Å; I181-R183 VanDerWaalsContact O-N 3.16Å

Retrieved 183 of 183 residues in 1413.9 ms (Link to these results)

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