A0A087YAJ9_POEFO Loading...

Telomerase reverse transcriptase

Telomerase is a ribonucleoprotein enzyme essential for the replication of chromosome termini in most eukaryotes. It elongates telomeres. It is a reverse transcriptase that adds simple sequence repeats to chromosome ends by copying a template sequence within the RNA component of the enzyme.

AlphaFold DB , UniProt , Accession A0A087YAJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,086 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
1M32.9Very low73.2Confident249 Ų24973.5 Ų73.5100%1.22746%0.459SS*.  0151.60-57.1175.9-165.200108.4
2A40.2Very low74.7Confident87 Ų8767.6 Ų67.672%0.71942%0.421SS*.  trans-75.6139.8175.100000111
3A53.6Low76.1Confident93 Ų9362.4 Ų62.477%0.76939%0.389SS*.  trans-63.6150174.400000111.4D5A3-D5 PolarHBondContact O-N 3.19Å
4A67.1Low77.1Confident62 Ų6268.9 Ų68.951%0.51240%0.403SS..  trans-79.285.6-17300000112.9M6 P160 P161A4-M6 PolarHBondContact O-N 2.66Å; A4-P160 HydrophobicContact CB-CB 4.39Å; A4-P161 CarbonylContact C-O 3.56Å; A4-P161 WeakPolarHBondContact CA-O 3.4Å
5D80.9Confident77.9Confident59 Ų5969.3 Ų69.332%0.31641%0.411SS..  trans-7492172.1177.539.1000112.8A3 S7 T8 P161 H752A3-D5 PolarHBondContact O-N 3.19Å; D5-S7 WeakPolarHBondContact OD1-CB 3.45Å; D5-S7 PolarHBondContact OD1-N 3.05Å; D5-S7 PolarHBondContact OD1-OG 2.94Å; D5-T8 PolarHBondContact OD2-OG1 2.76Å; D5-P161 PolarHBondContact N-O 3.01Å; D5-H752 IonicContact OD2-CE1 3.27Å; D5-H752 PolarHBondContact OD2-CE1 3.3Å; D5-H752 IonicContact OD2-ND1 2.66Å; D5-H752 PolarHBondContact OD2-ND1 3.1Å
6M85Confident78.6Confident28 Ų2866.1 Ų66.114%0.13839%0.391CS..  trans-86.1-8.4168.6-63.1-57.5-60.300113.4A4 T8 V9 L10 A158 C163 V164A4-M6 PolarHBondContact O-N 2.66Å; M6-T8 VanDerWaalsContact C-N 3.33Å; M6-T8 PolarHBondContact O-N 2.93Å; M6-V9 PolarHBondContact O-N 2.7Å; M6-L10 PolarHBondContact O-N 2.72Å; M6-A158 HydrophobicContact CE-CB 4.15Å; M6-C163 WeakPolarHBondContact CE-O 3.13Å; M6-V164 HydrophobicContact CE-CG1 3.44Å; M6-V164 VanDerWaalsContact CE-CG1 3.44Å
7S87.1Confident79.3Confident57 Ų5762.9 Ų62.940%0.39937%0.371SS..Hα-helixtrans-60.9-40.7-16973.90000112.6D5 V9 L10 N11D5-S7 WeakPolarHBondContact OD1-CB 3.45Å; D5-S7 PolarHBondContact OD1-N 3.05Å; D5-S7 PolarHBondContact OD1-OG 2.94Å; S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 2.67Å; S7-L10 PolarHBondContact O-N 3.21Å; S7-N11 WeakPolarHBondContact O-CB 3.12Å; S7-N11 PolarHBondContact O-N 3.29Å; S7-N11 PolarHBondContact O-ND2 2.95Å
8T86.7Confident79.7Confident52 Ų5269.7 Ų69.732%0.31939%0.389SS..Hα-helixtrans-62.1-37178-60.50000112D5 M6 I12 H752D5-T8 PolarHBondContact OD2-OG1 2.76Å; M6-T8 VanDerWaalsContact C-N 3.33Å; M6-T8 PolarHBondContact O-N 2.93Å; T8-I12 WeakPolarHBondContact O-CG1 3.43Å; T8-I12 PolarHBondContact O-N 2.67Å; T8-I12 VanDerWaalsContact O-N 3.14Å; T8-H752 HydrophobicContact CG2-CB 3.8Å
9V90.5Very high80.3Confident0 Ų069.2 Ų69.20%038%0.383CS..Hα-helixtrans-80.2-36179.7-179.40000112.1M6 S7 N11 I12 L13 S162 V164 H752 I754M6-V9 PolarHBondContact O-N 2.7Å; S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 2.67Å; V9-N11 PolarHBondContact O-N 2.91Å; V9-I12 WeakPolarHBondContact O-CA 3.2Å; V9-I12 WeakPolarHBondContact O-CB 3.3Å; V9-I12 PolarHBondContact O-N 3.12Å; V9-L13 PolarHBondContact O-N 3.42Å; V9-S162 WeakPolarHBondContact CG2-O 3.46Å; V9-V164 HydrophobicContact CG1-CB 4.4Å; V9-V164 HydrophobicContact CG1-CG1 3.87Å; V9-V164 HydrophobicContact CG1-CG2 3.75Å; V9-H752 HydrophobicContact CG2-CB 4.37Å; V9-I754 HydrophobicContact CG1-CG1 3.78Å
10L90.9Very high80.9Confident34 Ų3467.8 Ų67.818%0.17837%0.374CS..Hα-helixtrans-59.2-38.1169.5-67.7174.3000111.3M6 S7 L13 R14 F57M6-L10 PolarHBondContact O-N 2.72Å; S7-L10 PolarHBondContact O-N 3.21Å; L10-L13 PolarHBondContact O-N 3.28Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 VanDerWaalsContact O-CG 3.23Å; L10-R14 WeakPolarHBondContact O-CG 3.26Å; L10-R14 PolarHBondContact O-N 3.47Å; L10-F57 HydrophobicContact CD2-CD1 3.99Å; L10-F57 HydrophobicContact CD2-CD2 4.31Å; L10-F57 HydrophobicContact CD2-CE1 3.73Å; L10-F57 HydrophobicContact CD2-CE2 4.06Å; L10-F57 HydrophobicContact CD2-CG 4.29Å; L10-F57 HydrophobicContact CD2-CZ 3.77Å
11N90.3Very high81.4Confident88 Ų8866.4 Ų66.447%0.47137%0.365SS..Hα-helixtrans-69.7-28.9174.3-67.8-20.8000113.3S7 V9 R14 S15S7-N11 WeakPolarHBondContact O-CB 3.12Å; S7-N11 PolarHBondContact O-N 3.29Å; S7-N11 PolarHBondContact O-ND2 2.95Å; V9-N11 PolarHBondContact O-N 2.91Å; N11-R14 PolarHBondContact OD1-NH1 3.12Å; N11-S15 PolarHBondContact O-N 2.82Å
12I91.4Very high84.3Confident2 Ų255.4 Ų55.41%0.0131%0.312CS..Hα-helixtrans-65.5-49.8167.9-67.2164.1000110.3T8 V9 R14 S15 L16 I709 A711 L717 I754T8-I12 WeakPolarHBondContact O-CG1 3.43Å; T8-I12 PolarHBondContact O-N 2.67Å; T8-I12 VanDerWaalsContact O-N 3.14Å; V9-I12 WeakPolarHBondContact O-CA 3.2Å; V9-I12 WeakPolarHBondContact O-CB 3.3Å; V9-I12 PolarHBondContact O-N 3.12Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.02Å; I12-S15 WeakPolarHBondContact O-CB 3.25Å; I12-S15 PolarHBondContact O-N 2.57Å; I12-S15 PolarHBondContact O-OG 2.81Å; I12-L16 HydrophobicContact CG2-CD1 4.18Å; I12-L16 PolarHBondContact O-N 3.04Å; I12-I709 HydrophobicContact CG2-CG2 4.23Å; I12-A711 HydrophobicContact CD1-CB 4.14Å; I12-A711 HydrophobicContact CG1-CB 3.82Å; I12-L717 HydrophobicContact CB-CD1 4.41Å; I12-L717 HydrophobicContact CG1-CD1 4.1Å; I12-L717 HydrophobicContact CG2-CD1 3.6Å; I12-I754 HydrophobicContact CB-CD1 4.28Å; I12-I754 HydrophobicContact CG2-CD1 3.5Å; I12-I754 HydrophobicContact CG2-CG1 4.24Å
13L92.2Very high86.8Confident0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-57.9-44.6179-69.6171.7000110.9V9 L10 S15 L16 Y17 I20 F57 F156 I754V9-L13 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 3.28Å; L13-S15 PolarHBondContact O-N 2.98Å; L13-S15 VanDerWaalsContact O-N 3.1Å; L13-L16 WeakPolarHBondContact O-CA 3.09Å; L13-L16 PolarHBondContact O-N 3.46Å; L13-Y17 HydrophobicContact CD2-CD2 4.37Å; L13-Y17 HydrophobicContact CD2-CE2 4.28Å; L13-Y17 PolarHBondContact O-N 2.88Å; L13-I20 HydrophobicContact CB-CD1 3.71Å; L13-I20 WeakPolarHBondContact O-CD1 3.48Å; L13-F57 HydrophobicContact CD1-CB 4.48Å; L13-F156 HydrophobicContact CD2-CD1 4.12Å; L13-F156 HydrophobicContact CD2-CD2 3.8Å; L13-F156 HydrophobicContact CD2-CE1 3.94Å; L13-F156 HydrophobicContact CD2-CE2 3.62Å; L13-F156 HydrophobicContact CD2-CG 4.06Å; L13-F156 HydrophobicContact CD2-CZ 3.69Å; L13-I754 HydrophobicContact CD2-CD1 3.57Å; L13-I754 HydrophobicContact CG-CD1 4.01Å
14R90.9Very high88.5Confident154 Ų15448.6 Ų48.658%0.58125%0.249SC*.THydrogen-bonded Turntrans-60.3-17.5175.6-71.4166.5-177147.20.2114.2L10 N11 I12 I20L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 VanDerWaalsContact O-CG 3.23Å; L10-R14 WeakPolarHBondContact O-CG 3.26Å; L10-R14 PolarHBondContact O-N 3.47Å; N11-R14 PolarHBondContact OD1-NH1 3.12Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.02Å; R14-I20 VanDerWaalsContact CA-CD1 3.41Å; R14-I20 HydrophobicContact CB-CD1 4.11Å; R14-I20 HydrophobicContact CG-CD1 3.62Å
15S88.6Confident89.6Confident75 Ų7550.3 Ų50.352%0.52425%0.247SC..THydrogen-bonded Turntrans-91.3-5173.176.80000114.2N11 I12 L13N11-S15 PolarHBondContact O-N 2.82Å; I12-S15 WeakPolarHBondContact O-CB 3.25Å; I12-S15 PolarHBondContact O-N 2.57Å; I12-S15 PolarHBondContact O-OG 2.81Å; L13-S15 PolarHBondContact O-N 2.98Å; L13-S15 VanDerWaalsContact O-N 3.1Å
16L88.6Confident90Very high18 Ų1847.8 Ų47.89%0.09423%0.233CC..THydrogen-bonded Turntrans-119.6-22.9-175-68.2179.7000114.2I12 L13 R175 V176 L717 I754I12-L16 HydrophobicContact CG2-CD1 4.18Å; I12-L16 PolarHBondContact O-N 3.04Å; L13-L16 WeakPolarHBondContact O-CA 3.09Å; L13-L16 PolarHBondContact O-N 3.46Å; L16-R175 HydrophobicContact CD2-CB 3.82Å; L16-R175 WeakPolarHBondContact O-CD 3.31Å; L16-R175 PolarHBondContact O-NH1 3.15Å; L16-V176 HydrophobicContact CD1-CG2 4.15Å; L16-V176 HydrophobicContact CD2-CG2 4.02Å; L16-L717 HydrophobicContact CD1-CD2 4.21Å; L16-L717 HydrophobicContact CD2-CD2 3.52Å; L16-L717 HydrophobicContact CG-CD2 3.89Å; L16-I754 HydrophobicContact CD1-CD1 4.45Å
17Y90.6Very high90.1Very high11 Ų1146.5 Ų46.54%0.04323%0.227CC..  trans-134.1145.9-174.8-64.3-89.3000110.7L13 C59 S154 F156 R175L13-Y17 HydrophobicContact CD2-CD2 4.37Å; L13-Y17 HydrophobicContact CD2-CE2 4.28Å; L13-Y17 PolarHBondContact O-N 2.88Å; Y17-C59 HydrophobicContact CD1-CB 3.6Å; Y17-C59 HydrophobicContact CD2-CB 3.84Å; Y17-C59 HydrophobicContact CE1-CB 4.01Å; Y17-C59 HydrophobicContact CE2-CB 4.26Å; Y17-C59 HydrophobicContact CG-CB 3.51Å; Y17-S154 VanDerWaalsContact CE1-CB 3.47Å; Y17-S154 WeakPolarHBondContact CE1-OG 3.38Å; Y17-S154 VanDerWaalsContact OH-CB 3.29Å; Y17-S154 WeakPolarHBondContact OH-CB 2.98Å; Y17-S154 PolarHBondContact OH-OG 3.48Å; Y17-F156 AromaticContact CE2-CE2 3.82Å; Y17-F156 HydrophobicContact CE2-CE2 3.82Å; Y17-F156 AromaticContact CE2-CZ 3.73Å; Y17-F156 HydrophobicContact CE2-CZ 3.73Å; Y17-F156 AromaticContact CZ-CE2 3.97Å; Y17-F156 AromaticContact CZ-CZ 3.9Å; Y17-R175 VanDerWaalsContact CD1-NH1 3.34Å; Y17-R175 VanDerWaalsContact CE1-NE 3.27Å
18R87.9Confident90Very high185 Ų18548.2 Ų48.270%0.69823%0.231SC*.SBendtrans-74.1-43.5179.6-176.9-178.2175.6-166.2-4.2112
19H89.6Confident89.9Confident61 Ų6149.1 Ų49.128%0.28224%0.24SC..EExtended strand (participates in β ladder)trans-120.7134.5-178-59.9-78000109.9C59 F60 E63H19-C59 WeakPolarHBondContact O-CA 3.46Å; H19-F60 HydrophobicContact CB-CD1 4.38Å; H19-F60 HydrophobicContact CB-CD2 3.7Å; H19-F60 HydrophobicContact CB-CE1 4.14Å; H19-F60 HydrophobicContact CB-CE2 3.42Å; H19-F60 VanDerWaalsContact CB-CE2 3.42Å; H19-F60 HydrophobicContact CB-CG 4.18Å; H19-F60 HydrophobicContact CB-CZ 3.66Å; H19-F60 AromaticContact CD2-CD2 3.86Å; H19-F60 AromaticContact CD2-CE2 3.74Å; H19-F60 AromaticContact CG-CE2 3.72Å; H19-F60 PolarHBondContact N-O 3.01Å; H19-F60 PolarHBondContact O-N 2.73Å; H19-E63 IonicContact CD2-OE1 2.75Å; H19-E63 IonicContact CE1-OE1 3.5Å; H19-E63 PolarHBondContact CE1-OE1 3.05Å; H19-E63 IonicContact NE2-OE1 2.74Å; H19-E63 PolarHBondContact NE2-OE1 2.96Å
20I92.6Very high89.5Confident40 Ų4049.6 Ų49.621%0.20524%0.242CC..EExtended strand (participates in β ladder)trans-144.4124.9-179.6-59.4160000107.3L13 R14 V58 C59L13-I20 HydrophobicContact CB-CD1 3.71Å; L13-I20 WeakPolarHBondContact O-CD1 3.48Å; R14-I20 VanDerWaalsContact CA-CD1 3.41Å; R14-I20 HydrophobicContact CB-CD1 4.11Å; R14-I20 HydrophobicContact CG-CD1 3.62Å; I20-V58 WeakPolarHBondContact CA-O 3.42Å; I20-C59 HydrophobicContact CG1-CB 4.3Å
21Q92.8Very high89Confident40 Ų4053.5 Ų53.519%0.18726%0.26CS..EExtended strand (participates in β ladder)trans-133.5156.6178-76.1165.2-6400109E25 F26 S29 F57 V58 F60Q21-E25 VanDerWaalsContact CA-OE2 3.29Å; Q21-E25 WeakPolarHBondContact CA-OE2 3.48Å; Q21-E25 HydrophobicContact CB-CB 3.79Å; Q21-E25 HydrophobicContact CG-CB 4.05Å; Q21-E25 PolarHBondContact NE2-O 3.38Å; Q21-F26 HydrophobicContact CB-CB 4.14Å; Q21-S29 PolarHBondContact NE2-OG 3.33Å; Q21-F57 CarbonylContact O-C 3.57Å; Q21-F57 WeakPolarHBondContact O-CA 3.39Å; Q21-V58 PolarHBondContact N-O 3.43Å; Q21-V58 VanDerWaalsContact N-O 3.07Å; Q21-V58 PolarHBondContact O-N 3.08Å; Q21-F60 VanDerWaalsContact OE1-CE1 3.3Å; Q21-F60 VanDerWaalsContact OE1-CZ 3.25Å
22T93Very high88.4Confident18 Ų1849.8 Ų49.811%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-64.8162.2156.2600000110.1E24 E25 F26 V56 F57T22-E24 PolarHBondContact O-N 3.21Å; T22-E25 WeakPolarHBondContact CB-OE1 3.38Å; T22-E25 VanDerWaalsContact CG2-OE1 3.24Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.48Å; T22-E25 PolarHBondContact N-OE2 3.05Å; T22-E25 PolarHBondContact O-N 3.4Å; T22-E25 WeakPolarHBondContact OG1-CB 3.37Å; T22-E25 VanDerWaalsContact OG1-CG 3.25Å; T22-E25 WeakPolarHBondContact OG1-CG 3.39Å; T22-E25 PolarHBondContact OG1-N 2.92Å; T22-E25 VanDerWaalsContact OG1-N 3.16Å; T22-E25 PolarHBondContact OG1-OE1 2.95Å; T22-F26 WeakPolarHBondContact O-CB 3.46Å; T22-F26 PolarHBondContact O-N 3.16Å; T22-V56 CarbonylContact C-O 3.55Å; T22-V56 WeakPolarHBondContact CA-O 3.47Å; T22-F57 HydrophobicContact CG2-CD1 4.15Å; T22-F57 HydrophobicContact CG2-CE1 3.9Å
23L91.9Very high87.2Confident0 Ų056.7 Ų56.70%027%0.27CS..Hα-helixtrans-63.8-28.4176-172.268.8000112F26 A27 L40 V53 V56 V58 V137 L141 L149L23-F26 HydrophobicContact CD1-CD1 4.48Å; L23-A27 WeakPolarHBondContact O-CB 3.31Å; L23-A27 PolarHBondContact O-N 3.12Å; L23-L40 HydrophobicContact CB-CD2 4.47Å; L23-L40 HydrophobicContact CD2-CD2 4.05Å; L23-L40 HydrophobicContact CG-CD2 3.7Å; L23-L40 WeakPolarHBondContact O-CD2 3.39Å; L23-V53 HydrophobicContact CB-CG1 3.95Å; L23-V53 HydrophobicContact CD2-CG1 4.32Å; L23-V53 HydrophobicContact CG-CG1 4.31Å; L23-V56 HydrophobicContact CB-CB 3.87Å; L23-V56 HydrophobicContact CB-CG1 3.9Å; L23-V56 HydrophobicContact CD1-CG1 4.45Å; L23-V56 HydrophobicContact CD2-CB 4.23Å; L23-V56 HydrophobicContact CD2-CG1 4.12Å; L23-V56 HydrophobicContact CG-CG1 4.38Å; L23-V56 PolarHBondContact N-O 3.4Å; L23-V58 HydrophobicContact CB-CG2 4.35Å; L23-V58 HydrophobicContact CD1-CG2 3.65Å; L23-V137 HydrophobicContact CD2-CG1 3.99Å; L23-V137 HydrophobicContact CD2-CG2 3.9Å; L23-L141 HydrophobicContact CD1-CD1 4.41Å; L23-L149 HydrophobicContact CD1-CD1 3.86Å; L23-L149 HydrophobicContact CD1-CD2 4.29Å
24E90.9Very high86.1Confident36 Ų3661 Ų6117%0.16829%0.289CS..Hα-helixtrans-66.6-51.8172.2-163.9170.8168.100111.2T22 F26 A27 N28 V41 V53 R54T22-E24 PolarHBondContact O-N 3.21Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.1Å; E24-A27 PolarHBondContact O-N 3.17Å; E24-N28 WeakPolarHBondContact O-CB 3.32Å; E24-N28 PolarHBondContact O-N 3.36Å; E24-N28 PolarHBondContact O-ND2 3.2Å; E24-V41 HydrophobicContact CG-CG2 4.32Å; E24-V53 HydrophobicContact CB-CG1 3.89Å; E24-R54 IonicContact OE1-CZ 3.48Å; E24-R54 IonicContact OE1-NE 2.85Å; E24-R54 IonicContact OE1-NH2 2.63Å; E24-R54 PolarHBondContact OE1-NH2 2.96Å; E24-R54 WeakPolarHBondContact OE2-CD 3.14Å; E24-R54 WeakPolarHBondContact OE2-CG 3.39Å; E24-R54 IonicContact OE2-CZ 2.72Å; E24-R54 IonicContact OE2-NE 3.58Å; E24-R54 PolarHBondContact OE2-NE 3.23Å; E24-R54 IonicContact OE2-NH2 3.55Å; E24-R54 PolarHBondContact OE2-NH2 3.05Å
25E89.4Confident84.9Confident98 Ų9856.8 Ų56.846%0.45829%0.294SS..Hα-helixtrans-59.9-39.3174.3-74.3149.7-134.200112.9Q21 T22 S29Q21-E25 VanDerWaalsContact CA-OE2 3.29Å; Q21-E25 WeakPolarHBondContact CA-OE2 3.48Å; Q21-E25 HydrophobicContact CB-CB 3.79Å; Q21-E25 HydrophobicContact CG-CB 4.05Å; Q21-E25 PolarHBondContact NE2-O 3.38Å; T22-E25 WeakPolarHBondContact CB-OE1 3.38Å; T22-E25 VanDerWaalsContact CG2-OE1 3.24Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.48Å; T22-E25 PolarHBondContact N-OE2 3.05Å; T22-E25 PolarHBondContact O-N 3.4Å; T22-E25 WeakPolarHBondContact OG1-CB 3.37Å; T22-E25 VanDerWaalsContact OG1-CG 3.25Å; T22-E25 WeakPolarHBondContact OG1-CG 3.39Å; T22-E25 PolarHBondContact OG1-N 2.92Å; T22-E25 VanDerWaalsContact OG1-N 3.16Å; T22-E25 PolarHBondContact OG1-OE1 2.95Å; E25-S29 PolarHBondContact O-N 2.93Å; E25-S29 PolarHBondContact O-OG 3Å
26F89.1Confident84.1Confident7 Ų760.1 Ų60.13%0.03130%0.299CS..Hα-helixtrans-65.4-50178.6178.4-105.5000111Q21 T22 L23 E24 N28 S29 I30 V58 F60 I145 Y148 L149Q21-F26 HydrophobicContact CB-CB 4.14Å; T22-F26 WeakPolarHBondContact O-CB 3.46Å; T22-F26 PolarHBondContact O-N 3.16Å; L23-F26 HydrophobicContact CD1-CD1 4.48Å; E24-F26 VanDerWaalsContact C-N 3.32Å; E24-F26 PolarHBondContact O-N 3.1Å; F26-N28 PolarHBondContact O-N 2.85Å; F26-S29 PolarHBondContact O-N 3.31Å; F26-S29 VanDerWaalsContact O-N 3.13Å; F26-S29 PolarHBondContact O-OG 3.32Å; F26-I30 HydrophobicContact CD1-CD1 4.1Å; F26-I30 HydrophobicContact CE1-CD1 3.62Å; F26-I30 HydrophobicContact CE2-CD1 4.43Å; F26-I30 HydrophobicContact CZ-CD1 3.81Å; F26-V58 HydrophobicContact CB-CB 4.27Å; F26-V58 HydrophobicContact CB-CG2 4.14Å; F26-V58 HydrophobicContact CD1-CG1 4.32Å; F26-V58 HydrophobicContact CD1-CG2 4.28Å; F26-V58 HydrophobicContact CD2-CB 4.41Å; F26-V58 HydrophobicContact CD2-CG1 3.99Å; F26-V58 HydrophobicContact CE1-CG1 4.48Å; F26-V58 HydrophobicContact CE2-CG1 4.17Å; F26-V58 HydrophobicContact CG-CB 4.19Å; F26-V58 HydrophobicContact CG-CG1 4.07Å; F26-V58 HydrophobicContact CG-CG2 4.18Å; F26-V58 HydrophobicContact CZ-CG1 4.41Å; F26-F60 AromaticContact CD2-CE1 3.78Å; F26-F60 HydrophobicContact CD2-CE1 3.78Å; F26-F60 HydrophobicContact CD2-CZ 4.37Å; F26-F60 HydrophobicContact CE2-CD1 4.39Å; F26-F60 AromaticContact CE2-CE1 3.86Å; F26-F60 HydrophobicContact CE2-CE1 3.86Å; F26-F60 HydrophobicContact CE2-CZ 4.37Å; F26-I145 HydrophobicContact CE1-CG2 4.07Å; F26-Y148 HydrophobicContact CE2-CE1 4.5Å; F26-Y148 HydrophobicContact CZ-CD1 4.06Å; F26-Y148 HydrophobicContact CZ-CE1 4.02Å; F26-L149 HydrophobicContact CD1-CD2 3.93Å; F26-L149 HydrophobicContact CE1-CD1 4.29Å; F26-L149 HydrophobicContact CE1-CD2 3.53Å; F26-L149 HydrophobicContact CE1-CG 3.92Å; F26-L149 HydrophobicContact CZ-CD2 4.14Å
27A86.9Confident83.5Confident0 Ų064.6 Ų64.60%032%0.318CS..Hα-helixtrans-58.6-47.3176.200000111.8L23 E24 S29 I30 P38 L40 L141L23-A27 WeakPolarHBondContact O-CB 3.31Å; L23-A27 PolarHBondContact O-N 3.12Å; E24-A27 PolarHBondContact O-N 3.17Å; A27-S29 PolarHBondContact O-N 2.88Å; A27-S29 VanDerWaalsContact O-N 3.09Å; A27-I30 PolarHBondContact O-N 3.07Å; A27-P38 HydrophobicContact CB-CG 4.12Å; A27-P38 VanDerWaalsContact O-CG 3.24Å; A27-P38 WeakPolarHBondContact O-CG 3.3Å; A27-L40 HydrophobicContact CB-CB 3.88Å; A27-L40 HydrophobicContact CB-CD2 3.84Å; A27-L40 HydrophobicContact CB-CG 4.49Å; A27-L141 HydrophobicContact CB-CD2 3.85Å
28N86.2Confident82.8Confident93 Ų9364.3 Ų64.350%0.49732%0.317SS..Hα-helixtrans-62.7-17.9178.8-67.8-15.8000113.8E24 F26E24-N28 WeakPolarHBondContact O-CB 3.32Å; E24-N28 PolarHBondContact O-N 3.36Å; E24-N28 PolarHBondContact O-ND2 3.2Å; F26-N28 PolarHBondContact O-N 2.85Å
29S83.4Confident82.6Confident72 Ų7260.1 Ų60.150%0.50331%0.312SS..THydrogen-bonded Turntrans-90.51.3175.369.30000114.8Q21 E25 F26 A27Q21-S29 PolarHBondContact NE2-OG 3.33Å; E25-S29 PolarHBondContact O-N 2.93Å; E25-S29 PolarHBondContact O-OG 3Å; F26-S29 PolarHBondContact O-N 3.31Å; F26-S29 VanDerWaalsContact O-N 3.13Å; F26-S29 PolarHBondContact O-OG 3.32Å; A27-S29 PolarHBondContact O-N 2.88Å; A27-S29 VanDerWaalsContact O-N 3.09Å
30I83.1Confident82.3Confident9 Ų957.3 Ų57.35%0.04630%0.299CS..  trans-104.7138.4178.7-62.6169000110.6F26 A27 P38 P68 I145F26-I30 HydrophobicContact CD1-CD1 4.1Å; F26-I30 HydrophobicContact CE1-CD1 3.62Å; F26-I30 HydrophobicContact CE2-CD1 4.43Å; F26-I30 HydrophobicContact CZ-CD1 3.81Å; A27-I30 PolarHBondContact O-N 3.07Å; I30-P38 HydrophobicContact CB-CG 4.45Å; I30-P38 WeakPolarHBondContact O-CD 3.49Å; I30-P68 HydrophobicContact CG2-CG 3.74Å; I30-I145 HydrophobicContact CD1-CD1 3.93Å; I30-I145 HydrophobicContact CD1-CG1 4.38Å; I30-I145 HydrophobicContact CD1-CG2 3.9Å; I30-I145 HydrophobicContact CG2-CD1 3.82Å
31E79.1Confident82Confident117 Ų11757 Ų5755%0.54730%0.299SS..  trans-116.7127.2167.6-75.5166.9-171.200108.3K37E31-K37 HydrophobicContact CG-CD 4.3Å; E31-K37 HydrophobicContact CG-CG 4.07Å; E31-K37 WeakPolarHBondContact OE1-CE 3.42Å; E31-K37 IonicContact OE1-NZ 2.79Å; E31-K37 PolarHBondContact OE1-NZ 2.76Å
32F77.3Confident81.7Confident9 Ų958.9 Ų58.94%0.03931%0.308CS..  trans-72.6159.8177.4-72.7-63.8000111.2E34 G35 K36 P38 P68 S69 C70 I145F32-E34 WeakPolarHBondContact CB-OE2 3.4Å; F32-E34 PolarHBondContact O-N 3.26Å; F32-E34 VanDerWaalsContact O-N 3.15Å; F32-G35 PolarHBondContact O-N 2.96Å; F32-K36 WeakPolarHBondContact CB-O 3.34Å; F32-K36 WeakPolarHBondContact CD2-O 3.37Å; F32-K36 PolarHBondContact N-O 2.81Å; F32-P38 HydrophobicContact CE2-CB 3.62Å; F32-P38 HydrophobicContact CE2-CG 4.16Å; F32-P38 HydrophobicContact CZ-CB 3.82Å; F32-P38 HydrophobicContact CZ-CG 4.37Å; F32-P68 HydrophobicContact CD1-CB 4.35Å; F32-P68 HydrophobicContact CD1-CG 3.89Å; F32-P68 HydrophobicContact CE1-CG 4.26Å; F32-S69 VanDerWaalsContact CD1-C 3.5Å; F32-S69 WeakPolarHBondContact CE1-O 3.36Å; F32-C70 HydrophobicContact CB-CB 4.48Å; F32-C70 HydrophobicContact CD1-CB 3.96Å; F32-C70 HydrophobicContact CD2-CB 3.89Å; F32-C70 VanDerWaalsContact CE1-CA 3.5Å; F32-C70 HydrophobicContact CE1-CB 4.03Å; F32-C70 HydrophobicContact CE2-CB 3.94Å; F32-C70 VanDerWaalsContact CE2-SG 3.51Å; F32-C70 HydrophobicContact CG-CB 3.9Å; F32-C70 HydrophobicContact CZ-CB 4.02Å; F32-I145 HydrophobicContact CD1-CD1 4.26Å; F32-I145 HydrophobicContact CE1-CD1 3.41Å; F32-I145 VanDerWaalsContact CE1-CD1 3.41Å; F32-I145 HydrophobicContact CE1-CG1 4.18Å; F32-I145 HydrophobicContact CZ-CD1 3.8Å
33K66.8Low81.1Confident148 Ų14867.2 Ų67.264%0.64335%0.345SS*.THydrogen-bonded Turntrans-53.6-33.5170.9-71.6178.2-175.3173.90112.2G35 S67 P68K33-G35 PolarHBondContact O-N 2.82Å; K33-S67 WeakPolarHBondContact CE-O 3.37Å; K33-P68 PolarHBondContact N-O 3.48Å
34E69.5Low80.8Confident89 Ų8971.6 Ų71.642%0.41638%0.376SS..THydrogen-bonded Turntrans-79.512.2-178.2-55.887160.100112.9F32 K36 S69 C70F32-E34 WeakPolarHBondContact CB-OE2 3.4Å; F32-E34 PolarHBondContact O-N 3.26Å; F32-E34 VanDerWaalsContact O-N 3.15Å; E34-K36 PolarHBondContact O-N 3.31Å; E34-K36 VanDerWaalsContact O-N 3.08Å; E34-S69 WeakPolarHBondContact OE1-CA 3.28Å; E34-S69 WeakPolarHBondContact OE1-CB 3.27Å; E34-S69 PolarHBondContact OE1-OG 2.96Å; E34-C70 PolarHBondContact OE1-N 2.96Å; E34-C70 PolarHBondContact OE2-N 2.93Å
35G65.4Low80.7Confident66 Ų6670.2 Ų70.268%0.6837%0.37SS*.SBendtrans73.4-5.1174.300000115.8F32 K33F32-G35 PolarHBondContact O-N 2.96Å; K33-G35 PolarHBondContact O-N 2.82Å
36K71.4Confident80.7Confident145 Ų14568.9 Ų68.963%0.6337%0.371SS*.  trans-89.2159.3179.6-62.8178.7-175.6179.30111.3F32 E34F32-K36 WeakPolarHBondContact CB-O 3.34Å; F32-K36 WeakPolarHBondContact CD2-O 3.37Å; F32-K36 PolarHBondContact N-O 2.81Å; E34-K36 PolarHBondContact O-N 3.31Å; E34-K36 VanDerWaalsContact O-N 3.08Å
37K76.1Confident80.7Confident113 Ų11374.5 Ų74.549%0.49140%0.402SS..  trans-105.4143.8170.9-58.6-164.6-177.6-145.50110.2E31 V39E31-K37 HydrophobicContact CG-CD 4.3Å; E31-K37 HydrophobicContact CG-CG 4.07Å; E31-K37 WeakPolarHBondContact OE1-CE 3.42Å; E31-K37 IonicContact OE1-NZ 2.79Å; E31-K37 PolarHBondContact OE1-NZ 2.76Å; K37-V39 PolarHBondContact O-N 3.28Å
38P77.6Confident80.7Confident5 Ų583.4 Ų83.43%0.03244%0.435CS..  trans-70.3113.5179.126.8-32.5000111.5A27 I30 F32 L40 L141A27-P38 HydrophobicContact CB-CG 4.12Å; A27-P38 VanDerWaalsContact O-CG 3.24Å; A27-P38 WeakPolarHBondContact O-CG 3.3Å; I30-P38 HydrophobicContact CB-CG 4.45Å; I30-P38 WeakPolarHBondContact O-CD 3.49Å; F32-P38 HydrophobicContact CE2-CB 3.62Å; F32-P38 HydrophobicContact CE2-CG 4.16Å; F32-P38 HydrophobicContact CZ-CB 3.82Å; F32-P38 HydrophobicContact CZ-CG 4.37Å; P38-L40 VanDerWaalsContact C-N 3.31Å; P38-L40 PolarHBondContact O-N 2.69Å; P38-L141 HydrophobicContact CB-CD2 3.87Å; P38-L141 HydrophobicContact CG-CD2 4.33Å
39V81.9Confident80.9Confident97 Ų9779.1 Ų79.159%0.58841%0.412SS*.  trans-78.282.4172.6-176.40000108.7K37 E42 R140K37-V39 PolarHBondContact O-N 3.28Å; V39-E42 HydrophobicContact CG1-CG 4.22Å; V39-R140 WeakPolarHBondContact O-CD 3.3Å
40L83.8Confident81.2Confident2 Ų277.9 Ų77.91%0.0140%0.398CS..  trans-71.5-29.5-176-177.557.8000113.4L23 A27 P38 F49 V53 V137 R140 L141L23-L40 HydrophobicContact CB-CD2 4.47Å; L23-L40 HydrophobicContact CD2-CD2 4.05Å; L23-L40 HydrophobicContact CG-CD2 3.7Å; L23-L40 WeakPolarHBondContact O-CD2 3.39Å; A27-L40 HydrophobicContact CB-CB 3.88Å; A27-L40 HydrophobicContact CB-CD2 3.84Å; A27-L40 HydrophobicContact CB-CG 4.49Å; P38-L40 VanDerWaalsContact C-N 3.31Å; P38-L40 PolarHBondContact O-N 2.69Å; L40-F49 WeakPolarHBondContact O-CE1 3.38Å; L40-V53 HydrophobicContact CD2-CG1 3.61Å; L40-V53 HydrophobicContact CG-CG1 4.19Å; L40-V137 HydrophobicContact CD1-CG2 4.28Å; L40-R140 HydrophobicContact CD1-CB 4.06Å; L40-R140 VanDerWaalsContact O-CD 3.24Å; L40-R140 WeakPolarHBondContact O-CD 3.5Å; L40-R140 PolarHBondContact O-NH1 3.5Å; L40-L141 HydrophobicContact CB-CD2 4.36Å; L40-L141 HydrophobicContact CD1-CD1 4.42Å; L40-L141 HydrophobicContact CD1-CD2 3.97Å; L40-L141 HydrophobicContact CD1-CG 3.94Å; L40-L141 HydrophobicContact CD2-CD2 4.35Å; L40-L141 HydrophobicContact CG-CD2 4.46Å
41V86.3Confident81.5Confident32 Ų3282.3 Ų82.319%0.19443%0.425CS..  trans-129.7130.6-176-177.80000109.9E24 D45 F49 K50 V53E24-V41 HydrophobicContact CG-CG2 4.32Å; V41-D45 WeakPolarHBondContact CA-OD2 3.24Å; V41-F49 HydrophobicContact CG2-CE1 4.38Å; V41-K50 HydrophobicContact CG1-CG 3.8Å; V41-V53 HydrophobicContact CG2-CB 4.21Å; V41-V53 HydrophobicContact CG2-CG1 3.97Å; V41-V53 HydrophobicContact CG2-CG2 4.24Å
42E86.8Confident82.1Confident81 Ų8177.3 Ų77.338%0.37940%0.402SS..  trans-112.3159.7178.3-71.7160.4-138.200111.1V39 S44 D45 K50 R140V39-E42 HydrophobicContact CG1-CG 4.22Å; E42-S44 VanDerWaalsContact CB-OG 3.25Å; E42-S44 WeakPolarHBondContact CB-OG 3.44Å; E42-S44 PolarHBondContact O-N 2.85Å; E42-S44 PolarHBondContact OE2-OG 3.17Å; E42-D45 PolarHBondContact N-OD2 3.48Å; E42-D45 WeakPolarHBondContact O-CB 3.49Å; E42-D45 PolarHBondContact O-N 2.68Å; E42-D45 VanDerWaalsContact O-N 3.17Å; E42-K50 WeakPolarHBondContact O-CE 3.39Å; E42-R140 IonicContact OE1-CZ 3.23Å; E42-R140 IonicContact OE1-NE 3.04Å; E42-R140 PolarHBondContact OE1-NE 3.09Å; E42-R140 IonicContact OE1-NH2 2.81Å; E42-R140 PolarHBondContact OE1-NH2 2.98Å; E42-R140 IonicContact OE2-NH2 2.85Å; E42-R140 PolarHBondContact OE2-NH2 3.04Å; E42-R140 VanDerWaalsContact OE2-NH2 3.1Å
43Q79.9Confident82.7Confident192 Ų19276.9 Ų76.990%0.89740%0.4SS*.THydrogen-bonded Turntrans-63.8-32.5175.9-62.9-170.69.800112.1D45 K50Q43-D45 VanDerWaalsContact C-N 3.25Å; Q43-D45 PolarHBondContact O-N 2.93Å; Q43-K50 PolarHBondContact O-NZ 3Å
44S85.6Confident83.8Confident92 Ų9276.7 Ų76.764%0.64340%0.395SS*.THydrogen-bonded Turntrans-63-19.1173.6550000114.8E42E42-S44 VanDerWaalsContact CB-OG 3.25Å; E42-S44 WeakPolarHBondContact CB-OG 3.44Å; E42-S44 PolarHBondContact O-N 2.85Å; E42-S44 PolarHBondContact OE2-OG 3.17Å
45D88.5Confident84.8Confident7 Ų773.1 Ų73.14%0.03738%0.382CS..SBendtrans-67.9142.2-171.2-76.2-36.5000113.5V41 E42 Q43 F49 K50 K136 R140V41-D45 WeakPolarHBondContact CA-OD2 3.24Å; E42-D45 PolarHBondContact N-OD2 3.48Å; E42-D45 WeakPolarHBondContact O-CB 3.49Å; E42-D45 PolarHBondContact O-N 2.68Å; E42-D45 VanDerWaalsContact O-N 3.17Å; Q43-D45 VanDerWaalsContact C-N 3.25Å; Q43-D45 PolarHBondContact O-N 2.93Å; D45-F49 HydrophobicContact CB-CD1 4.05Å; D45-F49 WeakPolarHBondContact OD2-CD1 3.5Å; D45-K50 HydrophobicContact CB-CD 4.34Å; D45-K50 HydrophobicContact CB-CG 4.04Å; D45-K50 WeakPolarHBondContact O-CD 3.27Å; D45-K50 VanDerWaalsContact O-CE 3.23Å; D45-K50 WeakPolarHBondContact O-CE 3.3Å; D45-K50 PolarHBondContact O-NZ 3.21Å; D45-K136 WeakPolarHBondContact OD1-CE 3.41Å; D45-K136 IonicContact OD1-NZ 2.7Å; D45-K136 PolarHBondContact OD1-NZ 3.44Å; D45-R140 VanDerWaalsContact CG-NH1 3.34Å; D45-R140 IonicContact OD1-CZ 3.18Å; D45-R140 IonicContact OD1-NH1 2.69Å; D45-R140 PolarHBondContact OD1-NH1 3.48Å; D45-R140 IonicContact OD1-NH2 2.74Å; D45-R140 PolarHBondContact OD1-NH2 2.73Å; D45-R140 IonicContact OD2-CZ 3.1Å; D45-R140 IonicContact OD2-NH1 2.96Å; D45-R140 PolarHBondContact OD2-NH1 3.01Å; D45-R140 IonicContact OD2-NH2 2.69Å; D45-R140 PolarHBondContact OD2-NH2 2.92Å
46S90.4Very high86.3Confident70 Ų7070 Ų7049%0.4935%0.35SS..  trans-58.3145.6171.570.50000111.9R48 F49 K50S46-R48 PolarHBondContact O-N 3.34Å; S46-R48 VanDerWaalsContact O-N 3.09Å; S46-F49 PolarHBondContact O-N 3.09Å; S46-F49 PolarHBondContact OG-N 3.18Å; S46-K50 PolarHBondContact O-N 3.24Å; S46-K50 VanDerWaalsContact O-N 3.08Å
47N88.6Confident87.4Confident125 Ų12564 Ų6467%0.66832%0.324SS*.Hα-helixtrans-58.3-25.7176.3-70.8-23.8000112.4T51N47-T51 WeakPolarHBondContact O-CB 3.45Å; N47-T51 PolarHBondContact O-N 3.41Å; N47-T51 PolarHBondContact O-OG1 3.13Å
48R88.1Confident88.3Confident187 Ų18758.6 Ų58.671%0.70630%0.3SS*.Hα-helixtrans-62.4-42171.1-179.3176.7172.7-179.9-4.2112.3S46 F52 L133S46-R48 PolarHBondContact O-N 3.34Å; S46-R48 VanDerWaalsContact O-N 3.09Å; R48-F52 VanDerWaalsContact O-CB 3.3Å; R48-F52 WeakPolarHBondContact O-CB 3.32Å; R48-F52 PolarHBondContact O-N 3.33Å; R48-F52 VanDerWaalsContact O-N 3.12Å; R48-L133 HydrophobicContact CG-CD2 4.45Å
49F89.9Confident89.1Confident3 Ų358.3 Ų58.31%0.01330%0.299CS..Hα-helixtrans-74.1-48.8177.5-175.8-94.3000111.6L40 V41 D45 S46 T51 F52 V53 L133 K136 V137L40-F49 WeakPolarHBondContact O-CE1 3.38Å; V41-F49 HydrophobicContact CG2-CE1 4.38Å; D45-F49 HydrophobicContact CB-CD1 4.05Å; D45-F49 WeakPolarHBondContact OD2-CD1 3.5Å; S46-F49 PolarHBondContact O-N 3.09Å; S46-F49 PolarHBondContact OG-N 3.18Å; F49-T51 VanDerWaalsContact C-N 3.31Å; F49-T51 PolarHBondContact O-N 2.89Å; F49-F52 WeakPolarHBondContact O-CA 3.3Å; F49-F52 WeakPolarHBondContact O-CB 3.48Å; F49-F52 PolarHBondContact O-N 2.69Å; F49-V53 HydrophobicContact CD1-CG2 4.07Å; F49-V53 HydrophobicContact CE1-CG2 3.6Å; F49-V53 HydrophobicContact CE2-CG2 4.21Å; F49-V53 HydrophobicContact CZ-CG2 3.68Å; F49-V53 PolarHBondContact O-N 3.1Å; F49-L133 HydrophobicContact CB-CD2 4.31Å; F49-L133 HydrophobicContact CD2-CD2 3.95Å; F49-K136 HydrophobicContact CD2-CB 4.48Å; F49-K136 HydrophobicContact CD2-CD 4.23Å; F49-K136 HydrophobicContact CD2-CG 4.31Å; F49-K136 HydrophobicContact CE2-CB 3.9Å; F49-K136 HydrophobicContact CE2-CD 4.12Å; F49-K136 HydrophobicContact CE2-CG 3.72Å; F49-K136 HydrophobicContact CZ-CD 4.48Å; F49-K136 HydrophobicContact CZ-CG 4.01Å; F49-V137 HydrophobicContact CE2-CG2 4.08Å; F49-V137 HydrophobicContact CZ-CG2 4.15Å
50K89.1Confident89.4Confident47 Ų4754.6 Ų54.620%0.20428%0.275CS..Hα-helixtrans-53.4-45.7175.2-72.4164.2171.2151.70112.2V41 E42 Q43 D45 S46 R54V41-K50 HydrophobicContact CG1-CG 3.8Å; E42-K50 WeakPolarHBondContact O-CE 3.39Å; Q43-K50 PolarHBondContact O-NZ 3Å; D45-K50 HydrophobicContact CB-CD 4.34Å; D45-K50 HydrophobicContact CB-CG 4.04Å; D45-K50 WeakPolarHBondContact O-CD 3.27Å; D45-K50 VanDerWaalsContact O-CE 3.23Å; D45-K50 WeakPolarHBondContact O-CE 3.3Å; D45-K50 PolarHBondContact O-NZ 3.21Å; S46-K50 PolarHBondContact O-N 3.24Å; S46-K50 VanDerWaalsContact O-N 3.08Å; K50-R54 WeakPolarHBondContact O-CG 3.37Å; K50-R54 PolarHBondContact O-N 3.28Å
51T89Confident89.4Confident101 Ų10157.9 Ų57.962%0.6229%0.292SS*.Hα-helixtrans-69.2-32.6177-53.90000112.5N47 F49 G55N47-T51 WeakPolarHBondContact O-CB 3.45Å; N47-T51 PolarHBondContact O-N 3.41Å; N47-T51 PolarHBondContact O-OG1 3.13Å; F49-T51 VanDerWaalsContact C-N 3.31Å; F49-T51 PolarHBondContact O-N 2.89Å; T51-G55 PolarHBondContact O-N 3.39Å
52F91.4Very high89Confident13 Ų1363.9 Ų63.96%0.05732%0.316CS..Hα-helixtrans-66.9-51175.8169.8-104.6000111.8R48 F49 R54 G55 V56 L133 W134 V137R48-F52 VanDerWaalsContact O-CB 3.3Å; R48-F52 WeakPolarHBondContact O-CB 3.32Å; R48-F52 PolarHBondContact O-N 3.33Å; R48-F52 VanDerWaalsContact O-N 3.12Å; F49-F52 WeakPolarHBondContact O-CA 3.3Å; F49-F52 WeakPolarHBondContact O-CB 3.48Å; F49-F52 PolarHBondContact O-N 2.69Å; F52-R54 VanDerWaalsContact C-N 3.33Å; F52-R54 PolarHBondContact O-N 2.86Å; F52-G55 CarbonylContact O-C 3.52Å; F52-G55 WeakPolarHBondContact O-CA 3.42Å; F52-G55 PolarHBondContact O-N 3.04Å; F52-V56 HydrophobicContact CD2-CG2 4.19Å; F52-V56 HydrophobicContact CE1-CG2 4.14Å; F52-V56 HydrophobicContact CE2-CG2 3.78Å; F52-V56 HydrophobicContact CZ-CG2 3.76Å; F52-V56 WeakPolarHBondContact O-CG2 3.47Å; F52-V56 PolarHBondContact O-N 3Å; F52-L133 HydrophobicContact CB-CD1 4Å; F52-L133 HydrophobicContact CD1-CB 3.72Å; F52-L133 HydrophobicContact CD1-CD1 4.25Å; F52-L133 HydrophobicContact CD1-CG 4.48Å; F52-L133 HydrophobicContact CD2-CD1 3.96Å; F52-L133 HydrophobicContact CE1-CB 3.71Å; F52-L133 HydrophobicContact CG-CB 4.15Å; F52-L133 HydrophobicContact CG-CD1 3.8Å; F52-L133 HydrophobicContact CZ-CB 4.15Å; F52-W134 HydrophobicContact CZ-CD2 4.19Å; F52-W134 AromaticContact CZ-CE2 3.82Å; F52-W134 HydrophobicContact CZ-CG 4.32Å; F52-W134 HydrophobicContact CZ-CZ2 4.28Å; F52-W134 AromaticContact CZ-NE1 3.71Å; F52-V137 HydrophobicContact CE1-CG2 4.09Å
53V91.1Very high88.4Confident0 Ų065.1 Ų65.10%032%0.321CS..Hα-helixtrans-59.3-43.8-179.5178.70000111.2L23 E24 L40 V41 F49 G55 V56L23-V53 HydrophobicContact CB-CG1 3.95Å; L23-V53 HydrophobicContact CD2-CG1 4.32Å; L23-V53 HydrophobicContact CG-CG1 4.31Å; E24-V53 HydrophobicContact CB-CG1 3.89Å; L40-V53 HydrophobicContact CD2-CG1 3.61Å; L40-V53 HydrophobicContact CG-CG1 4.19Å; V41-V53 HydrophobicContact CG2-CB 4.21Å; V41-V53 HydrophobicContact CG2-CG1 3.97Å; V41-V53 HydrophobicContact CG2-CG2 4.24Å; F49-V53 HydrophobicContact CD1-CG2 4.07Å; F49-V53 HydrophobicContact CE1-CG2 3.6Å; F49-V53 HydrophobicContact CE2-CG2 4.21Å; F49-V53 HydrophobicContact CZ-CG2 3.68Å; F49-V53 PolarHBondContact O-N 3.1Å; V53-G55 PolarHBondContact O-N 2.83Å; V53-V56 PolarHBondContact O-N 3.38Å
54R90.5Very high88.2Confident143 Ų14358.8 Ų58.854%0.5429%0.293SS..Hα-helixtrans-67-23.4173.8-68.3176.1-179.4179-0.6113.8E24 K50 F52E24-R54 IonicContact OE1-CZ 3.48Å; E24-R54 IonicContact OE1-NE 2.85Å; E24-R54 IonicContact OE1-NH2 2.63Å; E24-R54 PolarHBondContact OE1-NH2 2.96Å; E24-R54 WeakPolarHBondContact OE2-CD 3.14Å; E24-R54 WeakPolarHBondContact OE2-CG 3.39Å; E24-R54 IonicContact OE2-CZ 2.72Å; E24-R54 IonicContact OE2-NE 3.58Å; E24-R54 PolarHBondContact OE2-NE 3.23Å; E24-R54 IonicContact OE2-NH2 3.55Å; E24-R54 PolarHBondContact OE2-NH2 3.05Å; K50-R54 WeakPolarHBondContact O-CG 3.37Å; K50-R54 PolarHBondContact O-N 3.28Å; F52-R54 VanDerWaalsContact C-N 3.33Å; F52-R54 PolarHBondContact O-N 2.86Å
55G90.4Very high87.2Confident14 Ų1462.7 Ų62.714%0.14430%0.302CS..THydrogen-bonded Turntrans-88.6-1.1174.400000114.7T51 F52 V53 A158T51-G55 PolarHBondContact O-N 3.39Å; F52-G55 CarbonylContact O-C 3.52Å; F52-G55 WeakPolarHBondContact O-CA 3.42Å; F52-G55 PolarHBondContact O-N 3.04Å; V53-G55 PolarHBondContact O-N 2.83Å; G55-A158 VanDerWaalsContact O-CB 3.26Å; G55-A158 WeakPolarHBondContact O-CB 3.38Å; G55-A158 PolarHBondContact O-N 3.33Å
56V95.1Very high86.1Confident0 Ų070 Ų700%034%0.336CS..EExtended strand (participates in β ladder)trans-100.5123.8173.6175.50000109T22 L23 F52 V53 W134 V155 F156 V157T22-V56 CarbonylContact C-O 3.55Å; T22-V56 WeakPolarHBondContact CA-O 3.47Å; L23-V56 HydrophobicContact CB-CB 3.87Å; L23-V56 HydrophobicContact CB-CG1 3.9Å; L23-V56 HydrophobicContact CD1-CG1 4.45Å; L23-V56 HydrophobicContact CD2-CB 4.23Å; L23-V56 HydrophobicContact CD2-CG1 4.12Å; L23-V56 HydrophobicContact CG-CG1 4.38Å; L23-V56 PolarHBondContact N-O 3.4Å; F52-V56 HydrophobicContact CD2-CG2 4.19Å; F52-V56 HydrophobicContact CE1-CG2 4.14Å; F52-V56 HydrophobicContact CE2-CG2 3.78Å; F52-V56 HydrophobicContact CZ-CG2 3.76Å; F52-V56 WeakPolarHBondContact O-CG2 3.47Å; F52-V56 PolarHBondContact O-N 3Å; V53-V56 PolarHBondContact O-N 3.38Å; V56-W134 HydrophobicContact CG1-CH2 4.45Å; V56-V155 HydrophobicContact CG1-CG1 3.37Å; V56-F156 WeakPolarHBondContact CA-O 3.44Å; V56-V157 HydrophobicContact CG2-CG2 4.28Å
57F95.6Very high84.9Confident19 Ų1970.2 Ų70.28%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-108.9122.4177.4-56.9-66.2000110.8L10 L13 Q21 T22 V155 F156 A158 V164L10-F57 HydrophobicContact CD2-CD1 3.99Å; L10-F57 HydrophobicContact CD2-CD2 4.31Å; L10-F57 HydrophobicContact CD2-CE1 3.73Å; L10-F57 HydrophobicContact CD2-CE2 4.06Å; L10-F57 HydrophobicContact CD2-CG 4.29Å; L10-F57 HydrophobicContact CD2-CZ 3.77Å; L13-F57 HydrophobicContact CD1-CB 4.48Å; Q21-F57 CarbonylContact O-C 3.57Å; Q21-F57 WeakPolarHBondContact O-CA 3.39Å; T22-F57 HydrophobicContact CG2-CD1 4.15Å; T22-F57 HydrophobicContact CG2-CE1 3.9Å; F57-V155 WeakPolarHBondContact O-CA 3.27Å; F57-F156 PolarHBondContact N-O 2.84Å; F57-F156 PolarHBondContact O-N 2.76Å; F57-A158 HydrophobicContact CE2-CB 4.12Å; F57-V164 HydrophobicContact CD2-CG1 4.32Å; F57-V164 HydrophobicContact CE2-CG1 4.28Å
58V94.6Very high84.2Confident0 Ų064.7 Ų64.70%031%0.308CS..EExtended strand (participates in β ladder)trans-98.5122.6178.2-172.50000108.6I20 Q21 L23 F26 F60 L149 C153 V155I20-V58 WeakPolarHBondContact CA-O 3.42Å; Q21-V58 PolarHBondContact N-O 3.43Å; Q21-V58 VanDerWaalsContact N-O 3.07Å; Q21-V58 PolarHBondContact O-N 3.08Å; L23-V58 HydrophobicContact CB-CG2 4.35Å; L23-V58 HydrophobicContact CD1-CG2 3.65Å; F26-V58 HydrophobicContact CB-CB 4.27Å; F26-V58 HydrophobicContact CB-CG2 4.14Å; F26-V58 HydrophobicContact CD1-CG1 4.32Å; F26-V58 HydrophobicContact CD1-CG2 4.28Å; F26-V58 HydrophobicContact CD2-CB 4.41Å; F26-V58 HydrophobicContact CD2-CG1 3.99Å; F26-V58 HydrophobicContact CE1-CG1 4.48Å; F26-V58 HydrophobicContact CE2-CG1 4.17Å; F26-V58 HydrophobicContact CG-CB 4.19Å; F26-V58 HydrophobicContact CG-CG1 4.07Å; F26-V58 HydrophobicContact CG-CG2 4.18Å; F26-V58 HydrophobicContact CZ-CG1 4.41Å; V58-F60 HydrophobicContact CG1-CD1 4.19Å; V58-F60 HydrophobicContact CG1-CE1 4.49Å; V58-L149 HydrophobicContact CB-CD2 4.36Å; V58-L149 HydrophobicContact CG1-CD2 3.54Å; V58-L149 HydrophobicContact CG2-CD2 3.8Å; V58-C153 HydrophobicContact CG1-CB 3.92Å; V58-V155 HydrophobicContact CG1-CG2 4.43Å; V58-V155 HydrophobicContact CG2-CG2 4.46Å
59C94Very high83.3Confident0 Ų056.7 Ų56.70%028%0.281CS..EExtended strand (participates in β ladder)trans-125130.1-175.3-51.20000111.6Y17 H19 I20 S154 F156Y17-C59 HydrophobicContact CD1-CB 3.6Å; Y17-C59 HydrophobicContact CD2-CB 3.84Å; Y17-C59 HydrophobicContact CE1-CB 4.01Å; Y17-C59 HydrophobicContact CE2-CB 4.26Å; Y17-C59 HydrophobicContact CG-CB 3.51Å; H19-C59 WeakPolarHBondContact O-CA 3.46Å; I20-C59 HydrophobicContact CG1-CB 4.3Å; C59-S154 WeakPolarHBondContact CB-O 3.18Å; C59-S154 PolarHBondContact N-O 2.67Å; C59-S154 PolarHBondContact O-N 2.67Å; C59-F156 HydrophobicContact CB-CD2 4.46Å; C59-F156 HydrophobicContact CB-CE2 4.06Å
60F89.3Confident82.1Confident19 Ų1959.6 Ų59.68%0.08330%0.3CS..EExtended strand (participates in β ladder)trans-151.6164.5-175.954.6-88.1000113.3H19 Q21 F26 V58 K62 E63H19-F60 HydrophobicContact CB-CD1 4.38Å; H19-F60 HydrophobicContact CB-CD2 3.7Å; H19-F60 HydrophobicContact CB-CE1 4.14Å; H19-F60 HydrophobicContact CB-CE2 3.42Å; H19-F60 VanDerWaalsContact CB-CE2 3.42Å; H19-F60 HydrophobicContact CB-CG 4.18Å; H19-F60 HydrophobicContact CB-CZ 3.66Å; H19-F60 AromaticContact CD2-CD2 3.86Å; H19-F60 AromaticContact CD2-CE2 3.74Å; H19-F60 AromaticContact CG-CE2 3.72Å; H19-F60 PolarHBondContact N-O 3.01Å; H19-F60 PolarHBondContact O-N 2.73Å; Q21-F60 VanDerWaalsContact OE1-CE1 3.3Å; Q21-F60 VanDerWaalsContact OE1-CZ 3.25Å; F26-F60 AromaticContact CD2-CE1 3.78Å; F26-F60 HydrophobicContact CD2-CE1 3.78Å; F26-F60 HydrophobicContact CD2-CZ 4.37Å; F26-F60 HydrophobicContact CE2-CD1 4.39Å; F26-F60 AromaticContact CE2-CE1 3.86Å; F26-F60 HydrophobicContact CE2-CE1 3.86Å; F26-F60 HydrophobicContact CE2-CZ 4.37Å; V58-F60 HydrophobicContact CG1-CD1 4.19Å; V58-F60 HydrophobicContact CG1-CE1 4.49Å; F60-K62 WeakPolarHBondContact CD2-O 3.34Å; F60-E63 HydrophobicContact CE2-CG 4.06Å
61D83.1Confident81.2Confident71 Ų7159.4 Ų59.438%0.3831%0.305SS..SBendtrans-113.2-17.3177.5-49.2-47.3000113.7R175D61-R175 VanDerWaalsContact CG-NH1 3.33Å; D61-R175 IonicContact OD1-CZ 2.71Å; D61-R175 IonicContact OD1-NH1 3.58Å; D61-R175 PolarHBondContact OD1-NH1 3.49Å; D61-R175 IonicContact OD1-NH2 3.26Å; D61-R175 IonicContact OD2-CZ 3.71Å; D61-R175 VanDerWaalsContact OD2-CZ 3.27Å; D61-R175 IonicContact OD2-NH1 3.95Å; D61-R175 PolarHBondContact OD2-NH1 3.38Å; D61-R175 IonicContact OD2-NH2 3.97Å; D61-R175 PolarHBondContact OD2-NH2 2.99Å
62K77.9Confident80.3Confident158 Ų15858.8 Ų58.869%0.68730%0.295SS*.SBendtrans-126.4134.7176.8-67.3-172.5175.4-168.80108.6F60 Y148F60-K62 WeakPolarHBondContact CD2-O 3.34Å; K62-Y148 PolarHBondContact O-OH 3.33Å
63E74.3Confident79.7Confident106 Ų10664.2 Ų64.250%0.49532%0.324SS..  trans-70.8162.1171.8-70.9133.9-14200111.2H19 F60 Q65H19-E63 IonicContact CD2-OE1 2.75Å; H19-E63 IonicContact CE1-OE1 3.5Å; H19-E63 PolarHBondContact CE1-OE1 3.05Å; H19-E63 IonicContact NE2-OE1 2.74Å; H19-E63 PolarHBondContact NE2-OE1 2.96Å; F60-E63 HydrophobicContact CE2-CG 4.06Å; E63-Q65 PolarHBondContact O-N 2.89Å
64L75.2Confident79.3Confident59 Ų5965.1 Ų65.131%0.30933%0.33SS..  trans-70.2112-179.1178.662.9000110Q66 P68 Y148L64-Q66 WeakPolarHBondContact CG-O 3.32Å; L64-P68 HydrophobicContact CD2-CG 4.2Å; L64-Y148 HydrophobicContact CB-CE1 4.3Å; L64-Y148 HydrophobicContact CD1-CD1 4.13Å; L64-Y148 HydrophobicContact CD1-CD2 3.67Å; L64-Y148 HydrophobicContact CD1-CE1 4.17Å; L64-Y148 HydrophobicContact CD1-CE2 3.73Å; L64-Y148 HydrophobicContact CD1-CG 3.88Å
65Q64.6Low79.1Confident175 Ų17561.5 Ų61.582%0.81832%0.324SS*.  trans-88.22.8-174-58-163.5-79.300114.9E63E63-Q65 PolarHBondContact O-N 2.89Å
66Q66.6Low79.1Confident161 Ų16161.1 Ų61.175%0.75232%0.318SS*.SBendtrans-135.4125.7-179.8-69.2-178.6-21.600108.7L64 P68L64-Q66 WeakPolarHBondContact CG-O 3.32Å; Q66-P68 WeakPolarHBondContact O-CD 3.45Å
67S64.1Low78.8Confident74 Ų7463.1 Ų63.152%0.51733%0.331SS..PPolyproline II helixtrans-58.5123171-51.10000109.2K33K33-S67 WeakPolarHBondContact CE-O 3.37Å
68P73.8Confident78.5Confident9 Ų965.9 Ų65.96%0.05834%0.344CS..PPolyproline II helixtrans-77.2160.7177.630.5-31000111I30 F32 K33 L64 Q66 D144 I145I30-P68 HydrophobicContact CG2-CG 3.74Å; F32-P68 HydrophobicContact CD1-CB 4.35Å; F32-P68 HydrophobicContact CD1-CG 3.89Å; F32-P68 HydrophobicContact CE1-CG 4.26Å; K33-P68 PolarHBondContact N-O 3.48Å; L64-P68 HydrophobicContact CD2-CG 4.2Å; Q66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-D144 HydrophobicContact CB-CB 3.74Å; P68-I145 HydrophobicContact CB-CD1 4.39Å; P68-I145 HydrophobicContact CB-CG1 3.72Å; P68-I145 HydrophobicContact CG-CD1 3.86Å; P68-I145 HydrophobicContact CG-CG1 3.64Å
69S69.9Low78.3Confident19 Ų1966 Ų6613%0.13335%0.345CS..PPolyproline II helixtrans-84.4153.3162.9179.60000111.1F32 E34 S71 D144F32-S69 VanDerWaalsContact CD1-C 3.5Å; F32-S69 WeakPolarHBondContact CE1-O 3.36Å; E34-S69 WeakPolarHBondContact OE1-CA 3.28Å; E34-S69 WeakPolarHBondContact OE1-CB 3.27Å; E34-S69 PolarHBondContact OE1-OG 2.96Å; S69-S71 PolarHBondContact O-N 3.05Å; S69-S71 PolarHBondContact OG-N 3.08Å; S69-S71 PolarHBondContact OG-OG 3.41Å; S69-D144 PolarHBondContact N-OD2 3.49Å
70C65.5Low78.2Confident63 Ų6366 Ų6643%0.42635%0.345SS..  trans-77.6-2.4173-166.50000113.8F32 E34F32-C70 HydrophobicContact CB-CB 4.48Å; F32-C70 HydrophobicContact CD1-CB 3.96Å; F32-C70 HydrophobicContact CD2-CB 3.89Å; F32-C70 VanDerWaalsContact CE1-CA 3.5Å; F32-C70 HydrophobicContact CE1-CB 4.03Å; F32-C70 HydrophobicContact CE2-CB 3.94Å; F32-C70 VanDerWaalsContact CE2-SG 3.51Å; F32-C70 HydrophobicContact CG-CB 3.9Å; F32-C70 HydrophobicContact CZ-CB 4.02Å; E34-C70 PolarHBondContact OE1-N 2.96Å; E34-C70 PolarHBondContact OE2-N 2.93Å
71S68.2Low78.2Confident44 Ų4465.1 Ų65.131%0.30834%0.341SS..  trans-75.3136.9-173.546.20000114.3S69 T143S69-S71 PolarHBondContact O-N 3.05Å; S69-S71 PolarHBondContact OG-N 3.08Å; S69-S71 PolarHBondContact OG-OG 3.41Å; S71-T143 PolarHBondContact O-N 3.4Å
72E70.8Confident78.6Confident87 Ų8763.6 Ų63.641%0.40733%0.331SS..  trans-90.6100.4161-172.9164.9-156.100107.7L139E72-L139 WeakPolarHBondContact OE2-CA 3.49Å
73I78.4Confident79.1Confident128 Ų12856 Ų5666%0.65630%0.298SS*.  trans-92.9-26.7-175.5-55.5175.8000110.7T143I73-T143 PolarHBondContact N-OG1 3.06Å
74C82.5Confident79.9Confident19 Ų1951 Ų5113%0.12828%0.275CS..SBendtrans-151.3156.7171.363.70000111E78 T143C74-E78 HydrophobicContact CB-CB 4.01Å; C74-T143 PolarHBondContact N-OG1 2.84Å; C74-T143 PolarHBondContact O-OG1 3.18Å
75T88.3Confident80.5Confident67 Ų6748.2 Ų48.241%0.41126%0.26SS..  trans-70.5163.6-176.766.30000112.3E78 L79T75-E78 VanDerWaalsContact CB-OE2 3.31Å; T75-E78 WeakPolarHBondContact CB-OE2 3.39Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T75-E78 PolarHBondContact N-OE2 3.18Å; T75-E78 PolarHBondContact O-N 2.9Å; T75-E78 VanDerWaalsContact OG1-CD 3.24Å; T75-E78 WeakPolarHBondContact OG1-CG 3.46Å; T75-E78 PolarHBondContact OG1-OE2 3.29Å; T75-L79 WeakPolarHBondContact O-CB 3.35Å; T75-L79 PolarHBondContact O-N 3.28Å
76L88.5Confident81.6Confident5 Ų540.6 Ų40.63%0.02623%0.226CC..Hα-helixtrans-54.9-44.8177.5174.962.1000114.1E78 L80 V128 W134 K135 T138L76-E78 PolarHBondContact O-N 3.42Å; L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 PolarHBondContact O-N 2.94Å; L76-V128 HydrophobicContact CD1-CG1 4Å; L76-V128 HydrophobicContact CD2-CG1 4.21Å; L76-W134 HydrophobicContact CD2-CB 3.71Å; L76-K135 HydrophobicContact CD2-CG 4.03Å; L76-T138 HydrophobicContact CB-CG2 4.2Å
77P89.7Confident82.6Confident43 Ų4333 Ų3328%0.27919%0.19SC..Hα-helixtrans-57.5-46.9175.2-27.736.9000113.3L80 A81 F117P77-L80 PolarHBondContact O-N 3.38Å; P77-A81 WeakPolarHBondContact O-CB 3.41Å; P77-A81 PolarHBondContact O-N 2.89Å; P77-F117 HydrophobicContact CB-CE2 4.43Å; P77-F117 WeakPolarHBondContact O-CZ 3.16Å
78E90.1Very high83.6Confident76 Ų7632.7 Ų32.736%0.35518%0.179SC..Hα-helixtrans-65.5-44.2-179.1-67165137.500111.9C74 T75 L76 A81 F82 F115C74-E78 HydrophobicContact CB-CB 4.01Å; T75-E78 VanDerWaalsContact CB-OE2 3.31Å; T75-E78 WeakPolarHBondContact CB-OE2 3.39Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T75-E78 PolarHBondContact N-OE2 3.18Å; T75-E78 PolarHBondContact O-N 2.9Å; T75-E78 VanDerWaalsContact OG1-CD 3.24Å; T75-E78 WeakPolarHBondContact OG1-CG 3.46Å; T75-E78 PolarHBondContact OG1-OE2 3.29Å; L76-E78 PolarHBondContact O-N 3.42Å; E78-A81 PolarHBondContact O-N 3.45Å; E78-F82 WeakPolarHBondContact O-CB 3.27Å; E78-F82 PolarHBondContact O-N 3.49Å; E78-F115 WeakPolarHBondContact CA-O 3.48Å; E78-F115 HydrophobicContact CB-CB 4.09Å; E78-F115 HydrophobicContact CB-CD1 4.16Å; E78-F115 HydrophobicContact CG-CB 4.38Å
79L90.6Very high84Confident3 Ų337.5 Ų37.52%0.01620%0.196CC..Hα-helixtrans-61.9-43.8174.1174.758.4000111.4T75 F82 V83 T143 T146 R147T75-L79 WeakPolarHBondContact O-CB 3.35Å; T75-L79 PolarHBondContact O-N 3.28Å; L79-F82 PolarHBondContact O-N 3.02Å; L79-V83 HydrophobicContact CD1-CG2 3.92Å; L79-V83 HydrophobicContact CG-CG2 4.46Å; L79-V83 WeakPolarHBondContact O-CB 3.5Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 2.94Å; L79-T143 HydrophobicContact CD1-CG2 4.03Å; L79-T143 HydrophobicContact CD2-CG2 4.18Å; L79-T146 HydrophobicContact CD2-CG2 3.65Å; L79-R147 HydrophobicContact CD1-CB 3.82Å; L79-R147 HydrophobicContact CD1-CG 4Å
80L90.4Very high84.6Confident0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-66-41.3179.9-178.861.2000111.3L76 P77 V83 L84 L96 F117 V128 H129 L150L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 PolarHBondContact O-N 2.94Å; P77-L80 PolarHBondContact O-N 3.38Å; L80-V83 PolarHBondContact O-N 3.36Å; L80-L84 HydrophobicContact CD1-CD1 3.91Å; L80-L84 HydrophobicContact CD1-CG 4.19Å; L80-L84 HydrophobicContact CG-CD1 3.91Å; L80-L84 VanDerWaalsContact O-CB 3.32Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 2.86Å; L80-L96 HydrophobicContact CD1-CD1 4.34Å; L80-L96 HydrophobicContact CD1-CD2 3.84Å; L80-L96 HydrophobicContact CD1-CG 4.29Å; L80-F117 HydrophobicContact CB-CE1 4.46Å; L80-F117 HydrophobicContact CB-CZ 4.3Å; L80-F117 HydrophobicContact CD2-CZ 4.28Å; L80-F117 HydrophobicContact CG-CE1 4.18Å; L80-F117 HydrophobicContact CG-CZ 4.27Å; L80-V128 HydrophobicContact CD2-CB 4.38Å; L80-V128 HydrophobicContact CD2-CG1 4.23Å; L80-H129 HydrophobicContact CD2-CB 3.79Å; L80-L150 HydrophobicContact CD1-CD1 4.32Å
81A89.8Confident85.4Confident0 Ų049 Ų490%023%0.232CC..Hα-helixtrans-59.5-52.6172.100000111.3P77 E78 V83 L84 N85 H114 F115 F117P77-A81 WeakPolarHBondContact O-CB 3.41Å; P77-A81 PolarHBondContact O-N 2.89Å; E78-A81 PolarHBondContact O-N 3.45Å; A81-V83 VanDerWaalsContact C-N 3.31Å; A81-V83 PolarHBondContact O-N 2.83Å; A81-L84 PolarHBondContact O-N 3.12Å; A81-N85 VanDerWaalsContact O-CB 3.27Å; A81-N85 WeakPolarHBondContact O-CB 3.42Å; A81-N85 VanDerWaalsContact O-CG 3.22Å; A81-N85 PolarHBondContact O-N 3.34Å; A81-N85 PolarHBondContact O-ND2 2.88Å; A81-H114 CarbonylContact C-O 3.44Å; A81-F115 VanDerWaalsContact CB-O 3.26Å; A81-F115 WeakPolarHBondContact CB-O 3.36Å; A81-F117 VanDerWaalsContact CA-CE1 3.45Å; A81-F117 HydrophobicContact CB-CD1 3.65Å; A81-F117 HydrophobicContact CB-CD2 4.42Å; A81-F117 HydrophobicContact CB-CE1 3.63Å; A81-F117 HydrophobicContact CB-CE2 4.4Å; A81-F117 HydrophobicContact CB-CG 4.06Å; A81-F117 HydrophobicContact CB-CZ 4.02Å
82F90.5Very high86.1Confident39 Ų3952 Ų5217%0.17124%0.236CC..Hα-helixtrans-54.5-45.8177177.5-80.9000112.3E78 L79 T86 H114 F115E78-F82 WeakPolarHBondContact O-CB 3.27Å; E78-F82 PolarHBondContact O-N 3.49Å; L79-F82 PolarHBondContact O-N 3.02Å; F82-T86 WeakPolarHBondContact O-CB 3.43Å; F82-T86 PolarHBondContact O-N 3.24Å; F82-T86 PolarHBondContact O-OG1 2.93Å; F82-H114 WeakPolarHBondContact CA-O 3.42Å; F82-H114 HydrophobicContact CD2-CB 3.93Å; F82-H114 HydrophobicContact CE2-CB 4.4Å; F82-H114 PolarHBondContact N-O 3.31Å; F82-F115 HydrophobicContact CB-CD1 3.9Å; F82-F115 HydrophobicContact CB-CE1 4.04Å; F82-F115 HydrophobicContact CD2-CD1 4.26Å; F82-F115 AromaticContact CD2-CE1 3.78Å; F82-F115 HydrophobicContact CD2-CE1 3.78Å; F82-F115 AromaticContact CD2-CZ 3.95Å; F82-F115 HydrophobicContact CD2-CZ 3.95Å; F82-F115 HydrophobicContact CE2-CZ 4.49Å; F82-F115 HydrophobicContact CG-CD1 4.42Å; F82-F115 HydrophobicContact CG-CE1 4.09Å
83V90.3Very high86.9Confident0 Ų054.6 Ų54.60%024%0.242CC..Hα-helixtrans-64.7-45.4179.2167.20000111.1L79 L80 A81 T86 M87 L96 R147 L150 E151L79-V83 HydrophobicContact CD1-CG2 3.92Å; L79-V83 HydrophobicContact CG-CG2 4.46Å; L79-V83 WeakPolarHBondContact O-CB 3.5Å; L79-V83 WeakPolarHBondContact O-CG2 3.28Å; L79-V83 PolarHBondContact O-N 2.94Å; L80-V83 PolarHBondContact O-N 3.36Å; A81-V83 VanDerWaalsContact C-N 3.31Å; A81-V83 PolarHBondContact O-N 2.83Å; V83-T86 PolarHBondContact O-N 3.03Å; V83-M87 HydrophobicContact CG1-CE 3.55Å; V83-M87 HydrophobicContact CG1-CG 4.5Å; V83-M87 HydrophobicContact CG1-SD 4.22Å; V83-M87 WeakPolarHBondContact O-CB 3.37Å; V83-M87 VanDerWaalsContact O-CG 3.27Å; V83-M87 WeakPolarHBondContact O-CG 3.36Å; V83-M87 PolarHBondContact O-N 3.37Å; V83-L96 HydrophobicContact CG1-CD2 4.26Å; V83-R147 HydrophobicContact CG2-CG 4.09Å; V83-L150 HydrophobicContact CG1-CB 4.16Å; V83-E151 HydrophobicContact CG1-CG 4.07Å; V83-E151 HydrophobicContact CG2-CG 4.17Å
84L89.8Confident87.5Confident0 Ų048.9 Ų48.90%021%0.213CC..Hα-helixtrans-69.6-43.9-179.2-75.5171000112.8L80 A81 T86 M87 K88 L96 A97 Y100 F117 A125L80-L84 HydrophobicContact CD1-CD1 3.91Å; L80-L84 HydrophobicContact CD1-CG 4.19Å; L80-L84 HydrophobicContact CG-CD1 3.91Å; L80-L84 VanDerWaalsContact O-CB 3.32Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 2.86Å; A81-L84 PolarHBondContact O-N 3.12Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.03Å; L84-M87 PolarHBondContact O-N 2.75Å; L84-K88 PolarHBondContact O-N 3.25Å; L84-L96 HydrophobicContact CD2-CD2 4.43Å; L84-L96 HydrophobicContact CD2-CG 4.11Å; L84-A97 HydrophobicContact CD2-CB 4.21Å; L84-Y100 HydrophobicContact CB-CD1 3.63Å; L84-Y100 HydrophobicContact CB-CE1 3.73Å; L84-Y100 HydrophobicContact CB-CG 4.04Å; L84-Y100 HydrophobicContact CD1-CD2 4.17Å; L84-Y100 HydrophobicContact CD1-CG 4.13Å; L84-Y100 HydrophobicContact CD2-CD1 4.39Å; L84-Y100 HydrophobicContact CD2-CG 4.3Å; L84-Y100 HydrophobicContact CG-CD1 4.42Å; L84-Y100 HydrophobicContact CG-CG 4.4Å; L84-F117 HydrophobicContact CD1-CE1 4.17Å; L84-A125 HydrophobicContact CD1-CB 3.92Å
85N88.9Confident87.9Confident1 Ų148 Ų481%0.00521%0.207CC..Hα-helixtrans-55.1-50.2171.2-72.8-27.8000110.3A81 M87 K88 R89 Y100 H114 K116A81-N85 VanDerWaalsContact O-CB 3.27Å; A81-N85 WeakPolarHBondContact O-CB 3.42Å; A81-N85 VanDerWaalsContact O-CG 3.22Å; A81-N85 PolarHBondContact O-N 3.34Å; A81-N85 PolarHBondContact O-ND2 2.88Å; N85-M87 PolarHBondContact O-N 3.26Å; N85-K88 PolarHBondContact O-N 3Å; N85-R89 WeakPolarHBondContact O-CB 3.44Å; N85-R89 VanDerWaalsContact O-CG 3.29Å; N85-R89 WeakPolarHBondContact O-CG 3.49Å; N85-R89 PolarHBondContact O-N 3.38Å; N85-Y100 PolarHBondContact OD1-OH 2.86Å; N85-H114 PolarHBondContact ND2-O 3.4Å; N85-K116 PolarHBondContact ND2-O 3.48Å
86T87.4Confident88Confident15 Ų1544.8 Ų44.89%0.09219%0.187CC..Hα-helixtrans-60.7-42.7176.7-66.90000112.5F82 V83 L84 K90F82-T86 WeakPolarHBondContact O-CB 3.43Å; F82-T86 PolarHBondContact O-N 3.24Å; F82-T86 PolarHBondContact O-OG1 2.93Å; V83-T86 PolarHBondContact O-N 3.03Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.03Å; T86-K90 HydrophobicContact CG2-CD 3.79Å; T86-K90 VanDerWaalsContact O-CB 3.28Å; T86-K90 WeakPolarHBondContact O-CB 3.39Å; T86-K90 WeakPolarHBondContact O-CG 3.46Å; T86-K90 PolarHBondContact O-N 2.96Å
87M87.6Confident87.9Confident1 Ų145 Ų451%0.00519%0.189CC..Hα-helixtrans-63.9-46.7178.9-79.1-178.2-174.500112.4V83 L84 N85 K90 R91 R92 N94 L96 A97 L150 E151V83-M87 HydrophobicContact CG1-CE 3.55Å; V83-M87 HydrophobicContact CG1-CG 4.5Å; V83-M87 HydrophobicContact CG1-SD 4.22Å; V83-M87 WeakPolarHBondContact O-CB 3.37Å; V83-M87 VanDerWaalsContact O-CG 3.27Å; V83-M87 WeakPolarHBondContact O-CG 3.36Å; V83-M87 PolarHBondContact O-N 3.37Å; L84-M87 PolarHBondContact O-N 2.75Å; N85-M87 PolarHBondContact O-N 3.26Å; M87-K90 CarbonylContact O-C 3.59Å; M87-R91 PolarHBondContact O-N 3.1Å; M87-R92 HydrophobicContact CB-CB 4.38Å; M87-R92 HydrophobicContact CG-CB 4.32Å; M87-R92 PolarHBondContact O-N 3.33Å; M87-N94 HydrophobicContact CE-CB 3.95Å; M87-N94 WeakPolarHBondContact CE-ND2 3.25Å; M87-N94 HydrophobicContact SD-CB 3.71Å; M87-L96 HydrophobicContact CE-CD2 4.41Å; M87-A97 HydrophobicContact CB-CB 4.08Å; M87-A97 HydrophobicContact SD-CB 3.93Å; M87-L150 VanDerWaalsContact CE-O 3.24Å; M87-L150 WeakPolarHBondContact CE-O 3.14Å; M87-E151 HydrophobicContact CE-CG 4.49Å
88K84.2Confident87.7Confident67 Ų6745.1 Ų45.129%0.29119%0.186SC..Hα-helixtrans-66.2-50.5179.5-69.2-65.7-167.5174.60111.6L84 N85 K90 R91 A97 Y100L84-K88 PolarHBondContact O-N 3.25Å; N85-K88 PolarHBondContact O-N 3Å; K88-K90 VanDerWaalsContact C-N 3.28Å; K88-K90 PolarHBondContact O-N 3.02Å; K88-R91 PolarHBondContact O-N 3.39Å; K88-A97 VanDerWaalsContact CE-O 3.3Å; K88-A97 WeakPolarHBondContact CE-O 3.41Å; K88-A97 PolarHBondContact NZ-O 3.06Å; K88-Y100 HydrophobicContact CD-CD1 4.48Å; K88-Y100 WeakPolarHBondContact CE-O 3.33Å; K88-Y100 HydrophobicContact CG-CD1 3.66Å; K88-Y100 HydrophobicContact CG-CE1 4.17Å; K88-Y100 PolarHBondContact NZ-O 3.44Å
89R82Confident87Confident110 Ų11041.5 Ų41.542%0.41517%0.17SC..Hα-helixtrans-57.1-40.5178.6-68.5177.7-177.1-156.52.2111.3N85 R91 H114N85-R89 WeakPolarHBondContact O-CB 3.44Å; N85-R89 VanDerWaalsContact O-CG 3.29Å; N85-R89 WeakPolarHBondContact O-CG 3.49Å; N85-R89 PolarHBondContact O-N 3.38Å; R89-R91 PolarHBondContact O-N 3.43Å; R89-H114 PolarHBondContact NH1-CD2 3.06Å; R89-H114 PolarHBondContact NH1-NE2 3.47Å
90K83.6Confident86.7Confident130 Ų13041.4 Ų41.457%0.56517%0.169SC*.THydrogen-bonded Turntrans-86.77.5176.2-62.4177-176.9167.40114.7T86 M87 K88 R92T86-K90 HydrophobicContact CG2-CD 3.79Å; T86-K90 VanDerWaalsContact O-CB 3.28Å; T86-K90 WeakPolarHBondContact O-CB 3.39Å; T86-K90 WeakPolarHBondContact O-CG 3.46Å; T86-K90 PolarHBondContact O-N 2.96Å; M87-K90 CarbonylContact O-C 3.59Å; K88-K90 VanDerWaalsContact C-N 3.28Å; K88-K90 PolarHBondContact O-N 3.02Å; K90-R92 HydrophobicContact CB-CG 4.14Å; K90-R92 PolarHBondContact O-N 2.88Å; K90-R92 VanDerWaalsContact O-N 3.09Å
91R82.1Confident86.2Confident194 Ų19445.7 Ų45.773%0.73219%0.192SC*.THydrogen-bonded Turntrans46.535.3-176.3-59.9-173.5179.6-171.50.8114.5M87 K88 R89M87-R91 PolarHBondContact O-N 3.1Å; K88-R91 PolarHBondContact O-N 3.39Å; R89-R91 PolarHBondContact O-N 3.43Å
92R83.4Confident85.6Confident107 Ų10749.4 Ų49.440%0.40421%0.212SC..  trans-71.9129.4-179.8-74.3-175.8168.2-178.34.8111M87 K90 N94 E151M87-R92 HydrophobicContact CB-CB 4.38Å; M87-R92 HydrophobicContact CG-CB 4.32Å; M87-R92 PolarHBondContact O-N 3.33Å; K90-R92 HydrophobicContact CB-CG 4.14Å; K90-R92 PolarHBondContact O-N 2.88Å; K90-R92 VanDerWaalsContact O-N 3.09Å; R92-N94 PolarHBondContact O-N 2.74Å; R92-E151 IonicContact CZ-OE2 2.58Å; R92-E151 IonicContact NH1-OE2 3.39Å; R92-E151 PolarHBondContact NH1-OE2 3.26Å; R92-E151 IonicContact NH2-OE2 2.69Å
93R86Confident84.7Confident142 Ų14252.1 Ų52.154%0.53623%0.227SC..  trans-85.587.2-179.6-168.6172.2-179-138.2-14.7111.1D174R93-D174 VanDerWaalsContact CZ-CG 3.47Å; R93-D174 IonicContact CZ-OD1 3.77Å; R93-D174 VanDerWaalsContact CZ-OD1 3.23Å; R93-D174 IonicContact CZ-OD2 3.84Å; R93-D174 IonicContact NE-OD2 3.56Å; R93-D174 IonicContact NH1-OD1 3.24Å; R93-D174 PolarHBondContact NH1-OD1 3.24Å; R93-D174 IonicContact NH1-OD2 2.7Å; R93-D174 PolarHBondContact NH1-OD2 2.88Å; R93-D174 IonicContact NH2-OD1 3.41Å; R93-D174 PolarHBondContact NH2-OD1 2.8Å; R93-D174 IonicContact NH2-OD2 3.07Å; R93-D174 PolarHBondContact NH2-OD2 3.48Å
94N91.4Very high83Confident7 Ų757.3 Ų57.34%0.03727%0.27CS..  trans-129140.6179.9-176.5-45.8000109.8M87 R92 L96 A97 L150 G169M87-N94 HydrophobicContact CE-CB 3.95Å; M87-N94 WeakPolarHBondContact CE-ND2 3.25Å; M87-N94 HydrophobicContact SD-CB 3.71Å; R92-N94 PolarHBondContact O-N 2.74Å; N94-L96 VanDerWaalsContact C-N 3.25Å; N94-L96 PolarHBondContact O-N 3.48Å; N94-L96 VanDerWaalsContact OD1-CB 3.3Å; N94-L96 WeakPolarHBondContact OD1-CB 3.21Å; N94-L96 PolarHBondContact OD1-N 2.95Å; N94-A97 PolarHBondContact O-N 3.32Å; N94-A97 VanDerWaalsContact O-N 3.1Å; N94-L150 PolarHBondContact ND2-O 2.93Å; N94-G169 CarbonylContact C-O 3.59Å; N94-G169 VanDerWaalsContact CA-O 3.28Å; N94-G169 WeakPolarHBondContact CA-O 3.37Å; N94-G169 WeakPolarHBondContact ND2-CA 3.46Å; N94-G169 PolarHBondContact ND2-N 2.69Å; N94-G169 VanDerWaalsContact ND2-N 3.18Å; N94-G169 PolarHBondContact OD1-N 2.92Å; N94-G169 PolarHBondContact OD1-O 3.04Å
95V90.8Very high81.4Confident1 Ų161.3 Ų61.31%0.00629%0.291CS..G310 helixtrans-58.9-34.7-178.5176.40000112.6A97 H98 Q166 G169 P171 V756V95-A97 PolarHBondContact O-N 2.99Å; V95-H98 WeakPolarHBondContact O-CB 3.19Å; V95-H98 PolarHBondContact O-N 3.35Å; V95-Q166 HydrophobicContact CB-CG 4.48Å; V95-Q166 HydrophobicContact CG2-CG 4.16Å; V95-G169 PolarHBondContact N-O 3.46Å; V95-P171 HydrophobicContact CG2-CB 3.88Å; V95-P171 HydrophobicContact CG2-CG 3.79Å; V95-V756 HydrophobicContact CG1-CG1 4.08Å; V95-V756 HydrophobicContact CG2-CG1 3.57Å
96L90.4Very high79.6Confident0 Ų065.2 Ų65.20%032%0.317CS..G310 helixtrans-58.9-35.8177.9-165.370.9000111.4L80 V83 L84 M87 N94 H98 A125 V128 L150 V167 C168L80-L96 HydrophobicContact CD1-CD1 4.34Å; L80-L96 HydrophobicContact CD1-CD2 3.84Å; L80-L96 HydrophobicContact CD1-CG 4.29Å; V83-L96 HydrophobicContact CG1-CD2 4.26Å; L84-L96 HydrophobicContact CD2-CD2 4.43Å; L84-L96 HydrophobicContact CD2-CG 4.11Å; M87-L96 HydrophobicContact CE-CD2 4.41Å; N94-L96 VanDerWaalsContact C-N 3.25Å; N94-L96 PolarHBondContact O-N 3.48Å; N94-L96 VanDerWaalsContact OD1-CB 3.3Å; N94-L96 WeakPolarHBondContact OD1-CB 3.21Å; N94-L96 PolarHBondContact OD1-N 2.95Å; L96-H98 VanDerWaalsContact C-N 3.32Å; L96-H98 PolarHBondContact O-N 3.49Å; L96-A125 HydrophobicContact CD1-CB 4.43Å; L96-V128 HydrophobicContact CD1-CG2 4.29Å; L96-L150 HydrophobicContact CD1-CD2 4.48Å; L96-L150 HydrophobicContact CD2-CB 4.01Å; L96-L150 HydrophobicContact CD2-CD2 3.93Å; L96-L150 HydrophobicContact CD2-CG 4.37Å; L96-V167 HydrophobicContact CD1-CG1 4.29Å; L96-V167 PolarHBondContact N-O 3.06Å; L96-C168 HydrophobicContact CB-CB 3.99Å; L96-C168 HydrophobicContact CD1-CB 4.45Å; L96-C168 HydrophobicContact CD2-CB 4.48Å
97A87.7Confident77.9Confident8 Ų871 Ų717%0.06634%0.342CS..G310 helixtrans-84.95.5178.700000114.3L84 M87 K88 N94 V95L84-A97 HydrophobicContact CD2-CB 4.21Å; M87-A97 HydrophobicContact CB-CB 4.08Å; M87-A97 HydrophobicContact SD-CB 3.93Å; K88-A97 VanDerWaalsContact CE-O 3.3Å; K88-A97 WeakPolarHBondContact CE-O 3.41Å; K88-A97 PolarHBondContact NZ-O 3.06Å; N94-A97 PolarHBondContact O-N 3.32Å; N94-A97 VanDerWaalsContact O-N 3.1Å; V95-A97 PolarHBondContact O-N 2.99Å
98H85.4Confident76Confident46 Ų4679.2 Ų79.221%0.21338%0.381CS..G310 helixtrans-70.5-41.8168.7-65.9167000111.2V95 L96 Y100 Q123 E757V95-H98 WeakPolarHBondContact O-CB 3.19Å; V95-H98 PolarHBondContact O-N 3.35Å; L96-H98 VanDerWaalsContact C-N 3.32Å; L96-H98 PolarHBondContact O-N 3.49Å; H98-Y100 VanDerWaalsContact C-N 3.32Å; H98-Y100 PolarHBondContact O-N 2.78Å; H98-Q123 VanDerWaalsContact C-OE1 3.28Å; H98-E757 PolarHBondContact ND1-O 3.44Å
99G75.7Confident74.4Confident1 Ų179.9 Ų79.91%0.0139%0.388CS..SBendtrans-84.56.1-17600000115.8T122G99-T122 VanDerWaalsContact CA-OG1 3.31Å; G99-T122 WeakPolarHBondContact CA-OG1 3.4Å; G99-T122 WeakPolarHBondContact O-CA 3.35Å; G99-T122 PolarHBondContact O-N 3.43Å; G99-T122 PolarHBondContact O-OG1 2.83Å
100Y84.3Confident73Confident0 Ų083 Ų830%040%0.399CS..EExtended strand (participates in β ladder)trans-106.4122.1-178.9-173.9-129.7000110.4L84 N85 K88 H98 L102 F117 Q118 G119 D120 V121L84-Y100 HydrophobicContact CB-CD1 3.63Å; L84-Y100 HydrophobicContact CB-CE1 3.73Å; L84-Y100 HydrophobicContact CB-CG 4.04Å; L84-Y100 HydrophobicContact CD1-CD2 4.17Å; L84-Y100 HydrophobicContact CD1-CG 4.13Å; L84-Y100 HydrophobicContact CD2-CD1 4.39Å; L84-Y100 HydrophobicContact CD2-CG 4.3Å; L84-Y100 HydrophobicContact CG-CD1 4.42Å; L84-Y100 HydrophobicContact CG-CG 4.4Å; N85-Y100 PolarHBondContact OD1-OH 2.86Å; K88-Y100 HydrophobicContact CD-CD1 4.48Å; K88-Y100 WeakPolarHBondContact CE-O 3.33Å; K88-Y100 HydrophobicContact CG-CD1 3.66Å; K88-Y100 HydrophobicContact CG-CE1 4.17Å; K88-Y100 PolarHBondContact NZ-O 3.44Å; H98-Y100 VanDerWaalsContact C-N 3.32Å; H98-Y100 PolarHBondContact O-N 2.78Å; Y100-L102 HydrophobicContact CE1-CD1 4.11Å; Y100-F117 HydrophobicContact CE2-CB 4.46Å; Y100-F117 HydrophobicContact CE2-CD1 4.05Å; Y100-Q118 PolarHBondContact OH-N 2.72Å; Y100-G119 VanDerWaalsContact CE2-O 3.3Å; Y100-G119 WeakPolarHBondContact CE2-O 3.41Å; Y100-D120 CarbonylContact C-O 3.6Å; Y100-D120 WeakPolarHBondContact CA-O 2.95Å; Y100-D120 WeakPolarHBondContact CD2-O 3.18Å; Y100-V121 HydrophobicContact CD2-CG2 3.97Å; Y100-V121 HydrophobicContact CE2-CG2 4.08Å
101N79.1Confident71.5Confident90 Ų9084.5 Ų84.548%0.48141%0.414SS..EExtended strand (participates in β ladder)trans-111.598.6177.7-70.2-31.4000109.1L103 G119 D120N101-L103 PolarHBondContact O-N 3.31Å; N101-G119 CarbonylContact O-C 3.58Å; N101-G119 VanDerWaalsContact O-CA 3.26Å; N101-G119 WeakPolarHBondContact O-CA 3.39Å; N101-D120 HydrophobicContact CB-CB 4.44Å; N101-D120 PolarHBondContact N-O 3Å; N101-D120 PolarHBondContact O-N 3.28Å
102L76.9Confident70.7Confident79 Ų7976.3 Ų76.341%0.41439%0.388SS..EExtended strand (participates in β ladder)trans-61.5127.3176.1-164.582.5000109.2Y100 Q118Y100-L102 HydrophobicContact CE1-CD1 4.11Å; L102-Q118 HydrophobicContact CD1-CB 3.58Å; L102-Q118 WeakPolarHBondContact CD1-O 3.47Å
103L71.8Confident70.3Confident96 Ų9674.3 Ų74.350%0.50339%0.385SS..  trans-66.2149.9174.8-72.1165.8000110N101 L105 Q118N101-L103 PolarHBondContact O-N 3.31Å; L103-L105 PolarHBondContact O-N 3.03Å; L103-Q118 PolarHBondContact N-O 3.11Å
104A55.3Low70Confident109 Ų10971.5 Ų71.590%0.90138%0.378SS*.  trans-81.563.5-178.400000111.1
105L54.6Low69.6Low83 Ų8375.5 Ų75.544%0.43540%0.395SS..  trans-59.3147175.3-65.7173.5000111.1L103 D109 A112L103-L105 PolarHBondContact O-N 3.03Å; L105-D109 HydrophobicContact CB-CB 4.12Å; L105-D109 HydrophobicContact CD1-CB 4.23Å; L105-A112 HydrophobicContact CD1-CB 4.48Å
106P52.2Low69.3Low84 Ų8482 Ų8255%0.54542%0.423SS..  trans-53.9161.4172-26.335.9000113.1E108 D109P106-E108 PolarHBondContact O-N 3.44Å; P106-D109 PolarHBondContact O-N 2.96Å
107Q51.2Low69.1Low135 Ų13585 Ų8563%0.63144%0.436SS*.THydrogen-bonded Turntrans-71.6-2.6-174.5-161.4166-2.800114
108E47.9Very low68.9Low175 Ų17585.5 Ų85.582%0.81844%0.437SS*.THydrogen-bonded Turntrans-91.9-26.6-177.3-70.1159.1-17800112.5P106 R110P106-E108 PolarHBondContact O-N 3.44Å; E108-R110 PolarHBondContact O-N 3.27Å
109D51.2Low68.8Low80 Ų8083.8 Ų83.843%0.42843%0.432SS..G310 helixtrans-7349.1176.9-79.3-44.2000113.6L105 P106 D111 A112L105-D109 HydrophobicContact CB-CB 4.12Å; L105-D109 HydrophobicContact CD1-CB 4.23Å; P106-D109 PolarHBondContact O-N 2.96Å; D109-D111 VanDerWaalsContact C-N 3.3Å; D109-A112 HydrophobicContact CB-CB 4.42Å
110R52.2Low69.1Low176 Ų17688.1 Ų88.166%0.66446%0.455SS*.G310 helixtrans-71.8-29.2175.6-65.3-164.4-179.6-158.77.6112.6E108 A112E108-R110 PolarHBondContact O-N 3.27Å; R110-A112 VanDerWaalsContact C-N 3.29Å
111D52.9Low69.1Low162 Ų16290 Ų9087%0.86647%0.466SS*.G310 helixtrans-91.611.6-177.9-56.5-44.1000112.9D109 D113D109-D111 VanDerWaalsContact C-N 3.3Å; D111-D113 PolarHBondContact O-N 3.39Å; D111-D113 VanDerWaalsContact O-N 3.16Å
112A63.4Low69.3Low22 Ų2287.8 Ų87.818%0.18246%0.456CS..  trans-56.1118.9172.600000111.6L105 D109 R110 H114 Q118L105-A112 HydrophobicContact CD1-CB 4.48Å; D109-A112 HydrophobicContact CB-CB 4.42Å; R110-A112 VanDerWaalsContact C-N 3.29Å; A112-H114 PolarHBondContact O-N 2.92Å; A112-Q118 PolarHBondContact O-NE2 3.26Å
113D76.2Confident69.6Low65 Ų6585.1 Ų85.135%0.34844%0.442SS..  trans-41.6119.1-176.8-177.3-11000112.5D111 F115 K116 Q118D111-D113 PolarHBondContact O-N 3.39Å; D111-D113 VanDerWaalsContact O-N 3.16Å; D113-F115 VanDerWaalsContact C-N 3.27Å; D113-F115 PolarHBondContact O-N 2.94Å; D113-F115 PolarHBondContact OD1-N 2.9Å; D113-K116 HydrophobicContact CB-CB 4.34Å; D113-K116 HydrophobicContact CB-CD 4.2Å; D113-K116 HydrophobicContact CB-CG 4.42Å; D113-K116 PolarHBondContact O-N 3.14Å; D113-K116 WeakPolarHBondContact OD2-CD 3.45Å; D113-K116 WeakPolarHBondContact OD2-CE 3.48Å; D113-K116 WeakPolarHBondContact OD2-CG 3.41Å; D113-K116 IonicContact OD2-NZ 3Å; D113-K116 PolarHBondContact OD2-NZ 2.85Å; D113-Q118 PolarHBondContact O-NE2 3.02Å
114H79.7Confident70.4Confident83 Ų8380.8 Ų80.838%0.38442%0.419SS..THydrogen-bonded Turntrans-68.2-25.1-177.4-65.7150.5000113.4A81 F82 N85 R89 A112A81-H114 CarbonylContact C-O 3.44Å; F82-H114 WeakPolarHBondContact CA-O 3.42Å; F82-H114 HydrophobicContact CD2-CB 3.93Å; F82-H114 HydrophobicContact CE2-CB 4.4Å; F82-H114 PolarHBondContact N-O 3.31Å; N85-H114 PolarHBondContact ND2-O 3.4Å; R89-H114 PolarHBondContact NH1-CD2 3.06Å; R89-H114 PolarHBondContact NH1-NE2 3.47Å; A112-H114 PolarHBondContact O-N 2.92Å
115F82.8Confident71.9Confident91 Ų9175.6 Ų75.640%0.39938%0.376SS..THydrogen-bonded Turntrans-90.7-2.7-177.3-62.7-78.6000113.1E78 A81 F82 D113E78-F115 WeakPolarHBondContact CA-O 3.48Å; E78-F115 HydrophobicContact CB-CB 4.09Å; E78-F115 HydrophobicContact CB-CD1 4.16Å; E78-F115 HydrophobicContact CG-CB 4.38Å; A81-F115 VanDerWaalsContact CB-O 3.26Å; A81-F115 WeakPolarHBondContact CB-O 3.36Å; F82-F115 HydrophobicContact CB-CD1 3.9Å; F82-F115 HydrophobicContact CB-CE1 4.04Å; F82-F115 HydrophobicContact CD2-CD1 4.26Å; F82-F115 AromaticContact CD2-CE1 3.78Å; F82-F115 HydrophobicContact CD2-CE1 3.78Å; F82-F115 AromaticContact CD2-CZ 3.95Å; F82-F115 HydrophobicContact CD2-CZ 3.95Å; F82-F115 HydrophobicContact CE2-CZ 4.49Å; F82-F115 HydrophobicContact CG-CD1 4.42Å; F82-F115 HydrophobicContact CG-CE1 4.09Å; D113-F115 VanDerWaalsContact C-N 3.27Å; D113-F115 PolarHBondContact O-N 2.94Å; D113-F115 PolarHBondContact OD1-N 2.9Å
116K85.5Confident73.4Confident136 Ų13673.4 Ų73.459%0.59137%0.37SS*.SBendtrans-102.9150.7171.3-70.1173.3-171.3136.10111.7N85 D113 Q118N85-K116 PolarHBondContact ND2-O 3.48Å; D113-K116 HydrophobicContact CB-CB 4.34Å; D113-K116 HydrophobicContact CB-CD 4.2Å; D113-K116 HydrophobicContact CB-CG 4.42Å; D113-K116 PolarHBondContact O-N 3.14Å; D113-K116 WeakPolarHBondContact OD2-CD 3.45Å; D113-K116 WeakPolarHBondContact OD2-CE 3.48Å; D113-K116 WeakPolarHBondContact OD2-CG 3.41Å; D113-K116 IonicContact OD2-NZ 3Å; D113-K116 PolarHBondContact OD2-NZ 2.85Å; K116-Q118 PolarHBondContact O-N 2.75Å
117F85.4Confident75.1Confident65 Ų6571 Ų7129%0.28535%0.35SS..  trans-71.1120.7175.3-64.5-69.1000110P77 L80 A81 L84 Y100 G119 V121 H129P77-F117 HydrophobicContact CB-CE2 4.43Å; P77-F117 WeakPolarHBondContact O-CZ 3.16Å; L80-F117 HydrophobicContact CB-CE1 4.46Å; L80-F117 HydrophobicContact CB-CZ 4.3Å; L80-F117 HydrophobicContact CD2-CZ 4.28Å; L80-F117 HydrophobicContact CG-CE1 4.18Å; L80-F117 HydrophobicContact CG-CZ 4.27Å; A81-F117 VanDerWaalsContact CA-CE1 3.45Å; A81-F117 HydrophobicContact CB-CD1 3.65Å; A81-F117 HydrophobicContact CB-CD2 4.42Å; A81-F117 HydrophobicContact CB-CE1 3.63Å; A81-F117 HydrophobicContact CB-CE2 4.4Å; A81-F117 HydrophobicContact CB-CG 4.06Å; A81-F117 HydrophobicContact CB-CZ 4.02Å; L84-F117 HydrophobicContact CD1-CE1 4.17Å; Y100-F117 HydrophobicContact CE2-CB 4.46Å; Y100-F117 HydrophobicContact CE2-CD1 4.05Å; F117-G119 PolarHBondContact O-N 3.46Å; F117-V121 HydrophobicContact CB-CG2 4.35Å; F117-V121 HydrophobicContact CD1-CG2 3.45Å; F117-V121 VanDerWaalsContact CD1-CG2 3.45Å; F117-V121 HydrophobicContact CD2-CG2 4.36Å; F117-V121 HydrophobicContact CE1-CG2 3.75Å; F117-V121 HydrophobicContact CG-CG2 3.8Å; F117-V121 HydrophobicContact CZ-CG2 4.33Å; F117-H129 AromaticContact CE2-CD2 3.81Å; F117-H129 AromaticContact CE2-NE2 3.68Å; F117-H129 AromaticContact CZ-CD2 3.82Å
118Q83.8Confident76.9Confident17 Ų1764.5 Ų64.58%0.07932%0.32CS..SBendtrans-93.330.7179.1-60.41747.600110.5Y100 L102 L103 A112 D113 K116Y100-Q118 PolarHBondContact OH-N 2.72Å; L102-Q118 HydrophobicContact CD1-CB 3.58Å; L102-Q118 WeakPolarHBondContact CD1-O 3.47Å; L103-Q118 PolarHBondContact N-O 3.11Å; A112-Q118 PolarHBondContact O-NE2 3.26Å; D113-Q118 PolarHBondContact O-NE2 3.02Å; K116-Q118 PolarHBondContact O-N 2.75Å
119G82.8Confident78.9Confident10 Ų1059.6 Ų59.610%0.10330%0.297CS..EExtended strand (participates in β ladder)trans150.4-176.5-179.300000114.6Y100 N101 F117Y100-G119 VanDerWaalsContact CE2-O 3.3Å; Y100-G119 WeakPolarHBondContact CE2-O 3.41Å; N101-G119 CarbonylContact O-C 3.58Å; N101-G119 VanDerWaalsContact O-CA 3.26Å; N101-G119 WeakPolarHBondContact O-CA 3.39Å; F117-G119 PolarHBondContact O-N 3.46Å
120D81.4Confident80.5Confident93 Ų9358.7 Ų58.750%0.49731%0.307SS..EExtended strand (participates in β ladder)trans-73.7140.1-162.4-52.9-52.9000113.8Y100 N101Y100-D120 CarbonylContact C-O 3.6Å; Y100-D120 WeakPolarHBondContact CA-O 2.95Å; Y100-D120 WeakPolarHBondContact CD2-O 3.18Å; N101-D120 HydrophobicContact CB-CB 4.44Å; N101-D120 PolarHBondContact N-O 3Å; N101-D120 PolarHBondContact O-N 3.28Å
121V84.1Confident82.2Confident39 Ų3951.1 Ų51.124%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-112.6115-176.8-179.60000110.3Y100 F117 A125 A126Y100-V121 HydrophobicContact CD2-CG2 3.97Å; Y100-V121 HydrophobicContact CE2-CG2 4.08Å; F117-V121 HydrophobicContact CB-CG2 4.35Å; F117-V121 HydrophobicContact CD1-CG2 3.45Å; F117-V121 VanDerWaalsContact CD1-CG2 3.45Å; F117-V121 HydrophobicContact CD2-CG2 4.36Å; F117-V121 HydrophobicContact CE1-CG2 3.75Å; F117-V121 HydrophobicContact CG-CG2 3.8Å; F117-V121 HydrophobicContact CZ-CG2 4.33Å; V121-A125 HydrophobicContact CG1-CB 3.74Å; V121-A126 HydrophobicContact CG1-CB 4.3Å
122T83.1Confident84Confident44 Ų4448.1 Ų48.127%0.2727%0.265SS..  trans-134-178.4-178.267.60000111.3G99 A125 A126G99-T122 VanDerWaalsContact CA-OG1 3.31Å; G99-T122 WeakPolarHBondContact CA-OG1 3.4Å; G99-T122 WeakPolarHBondContact O-CA 3.35Å; G99-T122 PolarHBondContact O-N 3.43Å; G99-T122 PolarHBondContact O-OG1 2.83Å; T122-A125 WeakPolarHBondContact O-CB 3.43Å; T122-A125 PolarHBondContact O-N 2.87Å; T122-A126 PolarHBondContact O-N 3.42Å; T122-A126 VanDerWaalsContact O-N 3.12Å
123Q84.9Confident85.3Confident23 Ų2348.4 Ų48.411%0.10726%0.263CS..Hα-helixtrans54.1-138.8172.1-49.2-163.2-72.600114.2H98 A125 A126 Y127 E757 H759 F760H98-Q123 VanDerWaalsContact C-OE1 3.28Å; Q123-A125 PolarHBondContact O-N 3.39Å; Q123-A126 PolarHBondContact O-N 3.2Å; Q123-Y127 PolarHBondContact O-N 3.29Å; Q123-E757 VanDerWaalsContact CB-OE2 3.31Å; Q123-E757 WeakPolarHBondContact CB-OE2 3.21Å; Q123-E757 VanDerWaalsContact NE2-CD 3.35Å; Q123-E757 VanDerWaalsContact NE2-CG 3.27Å; Q123-E757 PolarHBondContact NE2-OE2 2.95Å; Q123-H759 VanDerWaalsContact NE2-CA 3.28Å; Q123-F760 HydrophobicContact CG-CB 3.87Å
124S86.9Confident86Confident4 Ų445.5 Ų45.53%0.02825%0.247CC..Hα-helixtrans-53.9-30.9175.8-58.70000114V128 V167S124-V128 WeakPolarHBondContact O-CG2 3.43Å; S124-V128 PolarHBondContact O-N 2.8Å; S124-V128 VanDerWaalsContact O-N 3.15Å; S124-V167 WeakPolarHBondContact CB-O 3.12Å; S124-V167 PolarHBondContact OG-O 3.35Å
125A86.8Confident86.5Confident0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-72.4-46.3177.800000111.1L84 L96 V121 T122 Q123 Y127 V128 H129L84-A125 HydrophobicContact CD1-CB 3.92Å; L96-A125 HydrophobicContact CD1-CB 4.43Å; V121-A125 HydrophobicContact CG1-CB 3.74Å; T122-A125 WeakPolarHBondContact O-CB 3.43Å; T122-A125 PolarHBondContact O-N 2.87Å; Q123-A125 PolarHBondContact O-N 3.39Å; A125-Y127 VanDerWaalsContact C-N 3.28Å; A125-Y127 PolarHBondContact O-N 2.97Å; A125-V128 PolarHBondContact O-N 3.39Å; A125-H129 WeakPolarHBondContact O-CB 3.49Å; A125-H129 PolarHBondContact O-N 2.98Å
126A87.1Confident86.9Confident38 Ų3845.4 Ų45.431%0.31425%0.246SC..Hα-helixtrans-61.6-37172.800000112.2V121 T122 Q123 V128 H129 G130V121-A126 HydrophobicContact CG1-CB 4.3Å; T122-A126 PolarHBondContact O-N 3.42Å; T122-A126 VanDerWaalsContact O-N 3.12Å; Q123-A126 PolarHBondContact O-N 3.2Å; A126-V128 VanDerWaalsContact C-N 3.32Å; A126-V128 PolarHBondContact O-N 3.03Å; A126-H129 PolarHBondContact O-N 2.86Å; A126-G130 PolarHBondContact O-N 3.18Å
127Y88.6Confident87.1Confident32 Ų3238.9 Ų38.913%0.12522%0.217CC..Hα-helixtrans-63.8-32.2175.6175.1-104.1000113.7Q123 A125 S131 W134 V157 F165 V167Q123-Y127 PolarHBondContact O-N 3.29Å; A125-Y127 VanDerWaalsContact C-N 3.28Å; A125-Y127 PolarHBondContact O-N 2.97Å; Y127-S131 VanDerWaalsContact O-CB 3.29Å; Y127-S131 WeakPolarHBondContact O-CB 3.43Å; Y127-W134 AromaticContact CE1-NE1 3.71Å; Y127-V157 HydrophobicContact CE1-CG2 4.18Å; Y127-F165 HydrophobicContact CD1-CE2 4.1Å; Y127-F165 HydrophobicContact CD1-CZ 4.02Å; Y127-F165 HydrophobicContact CE1-CE2 4.2Å; Y127-F165 AromaticContact CE1-CZ 3.72Å; Y127-F165 HydrophobicContact CE1-CZ 3.72Å; Y127-F165 HydrophobicContact CE2-CZ 4.4Å; Y127-F165 HydrophobicContact CG-CZ 4.47Å; Y127-F165 AromaticContact CZ-CZ 3.95Å; Y127-V167 HydrophobicContact CD1-CG2 4.22Å; Y127-V167 HydrophobicContact CE1-CG2 4.19Å
128V88.9Confident87.2Confident0 Ų035.8 Ų35.80%020%0.204CC..Hα-helixtrans-78-47.4172.5172.50000110.6L76 L80 L96 S124 A125 A126 S131 W134 V167L76-V128 HydrophobicContact CD1-CG1 4Å; L76-V128 HydrophobicContact CD2-CG1 4.21Å; L80-V128 HydrophobicContact CD2-CB 4.38Å; L80-V128 HydrophobicContact CD2-CG1 4.23Å; L96-V128 HydrophobicContact CD1-CG2 4.29Å; S124-V128 WeakPolarHBondContact O-CG2 3.43Å; S124-V128 PolarHBondContact O-N 2.8Å; S124-V128 VanDerWaalsContact O-N 3.15Å; A125-V128 PolarHBondContact O-N 3.39Å; A126-V128 VanDerWaalsContact C-N 3.32Å; A126-V128 PolarHBondContact O-N 3.03Å; V128-S131 PolarHBondContact O-N 3.28Å; V128-W134 HydrophobicContact CG1-CB 4.23Å; V128-W134 HydrophobicContact CG1-CD2 4.36Å; V128-W134 HydrophobicContact CG1-CG 4.12Å; V128-W134 HydrophobicContact CG2-CD2 4.37Å; V128-W134 HydrophobicContact CG2-CG 4.44Å; V128-V167 HydrophobicContact CG2-CG1 3.5Å
129H88.5Confident87.4Confident71 Ų7140.4 Ų40.433%0.32923%0.228SC..Hα-helixtrans-57.5-52-178.2-174.7-109.4000112.9L80 F117 A125 A126 S131L80-H129 HydrophobicContact CD2-CB 3.79Å; F117-H129 AromaticContact CE2-CD2 3.81Å; F117-H129 AromaticContact CE2-NE2 3.68Å; F117-H129 AromaticContact CZ-CD2 3.82Å; A125-H129 WeakPolarHBondContact O-CB 3.49Å; A125-H129 PolarHBondContact O-N 2.98Å; A126-H129 PolarHBondContact O-N 2.86Å; H129-S131 PolarHBondContact O-N 2.93Å; H129-S131 VanDerWaalsContact O-N 3.15Å
130G85.8Confident87.6Confident62 Ų6241.1 Ų41.164%0.63923%0.228SC*.THydrogen-bonded Turntrans-82.726.7-177.400000114.8A126A126-G130 PolarHBondContact O-N 3.18Å
131S88.4Confident87.8Confident16 Ų1636.7 Ų36.711%0.11220%0.204CC..  trans-129.5111.5-175.3-167.40000113.5Y127 V128 H129 L133 W134 K135Y127-S131 VanDerWaalsContact O-CB 3.29Å; Y127-S131 WeakPolarHBondContact O-CB 3.43Å; V128-S131 PolarHBondContact O-N 3.28Å; H129-S131 PolarHBondContact O-N 2.93Å; H129-S131 VanDerWaalsContact O-N 3.15Å; S131-L133 PolarHBondContact O-N 3.24Å; S131-W134 WeakPolarHBondContact O-CA 3.44Å; S131-W134 WeakPolarHBondContact O-CB 3.37Å; S131-W134 PolarHBondContact O-N 3.39Å; S131-K135 PolarHBondContact O-N 2.67Å
132D89.3Confident87.9Confident99 Ų9935 Ų3553%0.52919%0.194SC..Hα-helixtrans-66.2-20.5178.9-42-69.1000112.8K135 K136D132-K135 PolarHBondContact O-N 2.9Å; D132-K135 WeakPolarHBondContact OD1-CE 3.22Å; D132-K135 IonicContact OD1-NZ 2.83Å; D132-K135 PolarHBondContact OD1-NZ 3.48Å; D132-K136 WeakPolarHBondContact O-CB 3.42Å; D132-K136 PolarHBondContact O-N 2.9Å
133L91.4Very high88.1Confident28 Ų2833.4 Ų33.415%0.14718%0.184CC..Hα-helixtrans-66.3-40.5169.9-55.5176000111.1R48 F49 F52 S131 V137R48-L133 HydrophobicContact CG-CD2 4.45Å; F49-L133 HydrophobicContact CB-CD2 4.31Å; F49-L133 HydrophobicContact CD2-CD2 3.95Å; F52-L133 HydrophobicContact CB-CD1 4Å; F52-L133 HydrophobicContact CD1-CB 3.72Å; F52-L133 HydrophobicContact CD1-CD1 4.25Å; F52-L133 HydrophobicContact CD1-CG 4.48Å; F52-L133 HydrophobicContact CD2-CD1 3.96Å; F52-L133 HydrophobicContact CE1-CB 3.71Å; F52-L133 HydrophobicContact CG-CB 4.15Å; F52-L133 HydrophobicContact CG-CD1 3.8Å; F52-L133 HydrophobicContact CZ-CB 4.15Å; S131-L133 PolarHBondContact O-N 3.24Å; L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.43Å; L133-V137 PolarHBondContact O-N 2.91Å
134W91.3Very high88.1Confident4 Ų435.2 Ų35.22%0.01520%0.195CC..Hα-helixtrans-72.6-36.5173.3-80.5110.5000112.2F52 V56 L76 Y127 V128 S131 V137 T138 V155F52-W134 HydrophobicContact CZ-CD2 4.19Å; F52-W134 AromaticContact CZ-CE2 3.82Å; F52-W134 HydrophobicContact CZ-CG 4.32Å; F52-W134 HydrophobicContact CZ-CZ2 4.28Å; F52-W134 AromaticContact CZ-NE1 3.71Å; V56-W134 HydrophobicContact CG1-CH2 4.45Å; L76-W134 HydrophobicContact CD2-CB 3.71Å; Y127-W134 AromaticContact CE1-NE1 3.71Å; V128-W134 HydrophobicContact CG1-CB 4.23Å; V128-W134 HydrophobicContact CG1-CD2 4.36Å; V128-W134 HydrophobicContact CG1-CG 4.12Å; V128-W134 HydrophobicContact CG2-CD2 4.37Å; V128-W134 HydrophobicContact CG2-CG 4.44Å; S131-W134 WeakPolarHBondContact O-CA 3.44Å; S131-W134 WeakPolarHBondContact O-CB 3.37Å; S131-W134 PolarHBondContact O-N 3.39Å; W134-V137 HydrophobicContact CE3-CB 4.47Å; W134-V137 HydrophobicContact CE3-CG1 4.24Å; W134-V137 HydrophobicContact CZ3-CG1 4.35Å; W134-V137 PolarHBondContact O-N 3.28Å; W134-T138 PolarHBondContact O-N 3.02Å; W134-T138 PolarHBondContact O-OG1 3.45Å; W134-V155 HydrophobicContact CH2-CG1 4.15Å
135K90.5Very high88.1Confident93 Ų9335.1 Ų35.140%0.40419%0.194SC..Hα-helixtrans-57-50.9171.8-60.9177.2-168162.80110.6L76 S131 D132 V137 T138 L139L76-K135 HydrophobicContact CD2-CG 4.03Å; S131-K135 PolarHBondContact O-N 2.67Å; D132-K135 PolarHBondContact O-N 2.9Å; D132-K135 WeakPolarHBondContact OD1-CE 3.22Å; D132-K135 IonicContact OD1-NZ 2.83Å; D132-K135 PolarHBondContact OD1-NZ 3.48Å; K135-V137 PolarHBondContact O-N 2.74Å; K135-T138 WeakPolarHBondContact O-CB 3.46Å; K135-T138 PolarHBondContact O-N 3.17Å; K135-L139 PolarHBondContact O-N 2.96Å
136K89.9Confident88.2Confident79 Ų7935.2 Ų35.234%0.34320%0.195SC..Hα-helixtrans-67-29.5178.8-177.6161.1172.5160.10114.1D45 F49 D132 R140D45-K136 WeakPolarHBondContact OD1-CE 3.41Å; D45-K136 IonicContact OD1-NZ 2.7Å; D45-K136 PolarHBondContact OD1-NZ 3.44Å; F49-K136 HydrophobicContact CD2-CB 4.48Å; F49-K136 HydrophobicContact CD2-CD 4.23Å; F49-K136 HydrophobicContact CD2-CG 4.31Å; F49-K136 HydrophobicContact CE2-CB 3.9Å; F49-K136 HydrophobicContact CE2-CD 4.12Å; F49-K136 HydrophobicContact CE2-CG 3.72Å; F49-K136 HydrophobicContact CZ-CD 4.48Å; F49-K136 HydrophobicContact CZ-CG 4.01Å; D132-K136 WeakPolarHBondContact O-CB 3.42Å; D132-K136 PolarHBondContact O-N 2.9Å; K136-R140 VanDerWaalsContact CE-NH1 3.29Å; K136-R140 VanDerWaalsContact NZ-NH2 3.16Å; K136-R140 PolarHBondContact O-N 3.47Å
137V89.8Confident88.3Confident0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-64.7-42.4167.6164.10000110.9L23 L40 F49 F52 L133 W134 K135 R140 L141L23-V137 HydrophobicContact CD2-CG1 3.99Å; L23-V137 HydrophobicContact CD2-CG2 3.9Å; L40-V137 HydrophobicContact CD1-CG2 4.28Å; F49-V137 HydrophobicContact CE2-CG2 4.08Å; F49-V137 HydrophobicContact CZ-CG2 4.15Å; F52-V137 HydrophobicContact CE1-CG2 4.09Å; L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.43Å; L133-V137 PolarHBondContact O-N 2.91Å; W134-V137 HydrophobicContact CE3-CB 4.47Å; W134-V137 HydrophobicContact CE3-CG1 4.24Å; W134-V137 HydrophobicContact CZ3-CG1 4.35Å; W134-V137 PolarHBondContact O-N 3.28Å; K135-V137 PolarHBondContact O-N 2.74Å; V137-R140 PolarHBondContact O-N 3.1Å; V137-L141 HydrophobicContact CG1-CD1 3.7Å; V137-L141 HydrophobicContact CG1-CG 4.28Å; V137-L141 WeakPolarHBondContact O-CB 3.3Å; V137-L141 WeakPolarHBondContact O-CG 3.2Å; V137-L141 PolarHBondContact O-N 3.19Å
138T88.8Confident88.4Confident0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-63.4-49.6-178.5-52.20000111.1L76 W134 K135 R140 L141 G142 T146L76-T138 HydrophobicContact CB-CG2 4.2Å; W134-T138 PolarHBondContact O-N 3.02Å; W134-T138 PolarHBondContact O-OG1 3.45Å; K135-T138 WeakPolarHBondContact O-CB 3.46Å; K135-T138 PolarHBondContact O-N 3.17Å; T138-R140 PolarHBondContact O-N 3Å; T138-L141 PolarHBondContact O-N 3.42Å; T138-G142 PolarHBondContact O-N 3.38Å; T138-T146 HydrophobicContact CG2-CG2 3.96Å
139L87.8Confident88.4Confident113 Ų11338.1 Ų38.159%0.59220%0.198SC*.Hα-helixtrans-59.7-27.2178.9-177.3147.9000113.7E72 K135E72-L139 WeakPolarHBondContact OE2-CA 3.49Å; K135-L139 PolarHBondContact O-N 2.96Å
140R86.8Confident88.5Confident26 Ų2634.8 Ų34.810%0.09818%0.182CC..Hα-helixtrans-96-17.2177.7-76.3-176.6174.1155.63.7115.3V39 L40 E42 D45 K136 V137 T138V39-R140 WeakPolarHBondContact O-CD 3.3Å; L40-R140 HydrophobicContact CD1-CB 4.06Å; L40-R140 VanDerWaalsContact O-CD 3.24Å; L40-R140 WeakPolarHBondContact O-CD 3.5Å; L40-R140 PolarHBondContact O-NH1 3.5Å; E42-R140 IonicContact OE1-CZ 3.23Å; E42-R140 IonicContact OE1-NE 3.04Å; E42-R140 PolarHBondContact OE1-NE 3.09Å; E42-R140 IonicContact OE1-NH2 2.81Å; E42-R140 PolarHBondContact OE1-NH2 2.98Å; E42-R140 IonicContact OE2-NH2 2.85Å; E42-R140 PolarHBondContact OE2-NH2 3.04Å; E42-R140 VanDerWaalsContact OE2-NH2 3.1Å; D45-R140 VanDerWaalsContact CG-NH1 3.34Å; D45-R140 IonicContact OD1-CZ 3.18Å; D45-R140 IonicContact OD1-NH1 2.69Å; D45-R140 PolarHBondContact OD1-NH1 3.48Å; D45-R140 IonicContact OD1-NH2 2.74Å; D45-R140 PolarHBondContact OD1-NH2 2.73Å; D45-R140 IonicContact OD2-CZ 3.1Å; D45-R140 IonicContact OD2-NH1 2.96Å; D45-R140 PolarHBondContact OD2-NH1 3.01Å; D45-R140 IonicContact OD2-NH2 2.69Å; D45-R140 PolarHBondContact OD2-NH2 2.92Å; K136-R140 VanDerWaalsContact CE-NH1 3.29Å; K136-R140 VanDerWaalsContact NZ-NH2 3.16Å; K136-R140 PolarHBondContact O-N 3.47Å; V137-R140 PolarHBondContact O-N 3.1Å; T138-R140 PolarHBondContact O-N 3Å
141L85.8Confident88.7Confident0 Ų033.3 Ų33.30%016%0.159CC..Hα-helixtrans-103.5-11.3177.2-64.2-173.9000113.2L23 A27 P38 L40 V137 T138 I145 L149L23-L141 HydrophobicContact CD1-CD1 4.41Å; A27-L141 HydrophobicContact CB-CD2 3.85Å; P38-L141 HydrophobicContact CB-CD2 3.87Å; P38-L141 HydrophobicContact CG-CD2 4.33Å; L40-L141 HydrophobicContact CB-CD2 4.36Å; L40-L141 HydrophobicContact CD1-CD1 4.42Å; L40-L141 HydrophobicContact CD1-CD2 3.97Å; L40-L141 HydrophobicContact CD1-CG 3.94Å; L40-L141 HydrophobicContact CD2-CD2 4.35Å; L40-L141 HydrophobicContact CG-CD2 4.46Å; V137-L141 HydrophobicContact CG1-CD1 3.7Å; V137-L141 HydrophobicContact CG1-CG 4.28Å; V137-L141 WeakPolarHBondContact O-CB 3.3Å; V137-L141 WeakPolarHBondContact O-CG 3.2Å; V137-L141 PolarHBondContact O-N 3.19Å; T138-L141 PolarHBondContact O-N 3.42Å; L141-I145 HydrophobicContact CB-CB 4.06Å; L141-I145 HydrophobicContact CB-CG2 4.11Å; L141-I145 HydrophobicContact CD1-CG2 4.07Å; L141-I145 WeakPolarHBondContact O-CB 3.35Å; L141-I145 WeakPolarHBondContact O-CD1 3.45Å; L141-I145 WeakPolarHBondContact O-CG1 3.32Å; L141-L149 HydrophobicContact CD1-CD1 3.77Å
142G86.4Confident88.6Confident2 Ų236 Ų362%0.02118%0.177CC..Hα-helixtrans72.1173.3-173.100000113.1T138 T146T138-G142 PolarHBondContact O-N 3.38Å; G142-T146 WeakPolarHBondContact O-CB 3.32Å; G142-T146 PolarHBondContact O-N 3.05Å; G142-T146 PolarHBondContact O-OG1 3.36Å
143T86.4Confident88.7Confident11 Ų1131.3 Ų31.37%0.06715%0.152CC..Hα-helixtrans-67.7-41.6-175.5-56.80000111.5S71 I73 C74 L79 R147S71-T143 PolarHBondContact O-N 3.4Å; I73-T143 PolarHBondContact N-OG1 3.06Å; C74-T143 PolarHBondContact N-OG1 2.84Å; C74-T143 PolarHBondContact O-OG1 3.18Å; L79-T143 HydrophobicContact CD1-CG2 4.03Å; L79-T143 HydrophobicContact CD2-CG2 4.18Å; T143-R147 WeakPolarHBondContact O-CB 3.34Å; T143-R147 PolarHBondContact O-N 3.24Å
144D84.9Confident88.9Confident62 Ų6230.1 Ų30.133%0.33215%0.147SC..Hα-helixtrans-62.1-50.6-176.1-86.2-15.7000113.5P68 S69 R147 Y148P68-D144 HydrophobicContact CB-CB 3.74Å; S69-D144 PolarHBondContact N-OD2 3.49Å; D144-R147 WeakPolarHBondContact O-CB 3.47Å; D144-R147 PolarHBondContact O-N 2.97Å; D144-Y148 PolarHBondContact O-N 2.95Å
145I87Confident89.1Confident1 Ų130 Ų301%0.00515%0.146CC..Hα-helixtrans-68-42.7-178.2-59.3179.9000110.1F26 I30 F32 P68 L141 R147 Y148 L149F26-I145 HydrophobicContact CE1-CG2 4.07Å; I30-I145 HydrophobicContact CD1-CD1 3.93Å; I30-I145 HydrophobicContact CD1-CG1 4.38Å; I30-I145 HydrophobicContact CD1-CG2 3.9Å; I30-I145 HydrophobicContact CG2-CD1 3.82Å; F32-I145 HydrophobicContact CD1-CD1 4.26Å; F32-I145 HydrophobicContact CE1-CD1 3.41Å; F32-I145 VanDerWaalsContact CE1-CD1 3.41Å; F32-I145 HydrophobicContact CE1-CG1 4.18Å; F32-I145 HydrophobicContact CZ-CD1 3.8Å; P68-I145 HydrophobicContact CB-CD1 4.39Å; P68-I145 HydrophobicContact CB-CG1 3.72Å; P68-I145 HydrophobicContact CG-CD1 3.86Å; P68-I145 HydrophobicContact CG-CG1 3.64Å; L141-I145 HydrophobicContact CB-CB 4.06Å; L141-I145 HydrophobicContact CB-CG2 4.11Å; L141-I145 HydrophobicContact CD1-CG2 4.07Å; L141-I145 WeakPolarHBondContact O-CB 3.35Å; L141-I145 WeakPolarHBondContact O-CD1 3.45Å; L141-I145 WeakPolarHBondContact O-CG1 3.32Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 2.91Å; I145-Y148 PolarHBondContact O-N 3.03Å; I145-L149 HydrophobicContact CG2-CD1 4.2Å; I145-L149 HydrophobicContact CG2-CG 4.5Å; I145-L149 WeakPolarHBondContact O-CG 3.2Å; I145-L149 PolarHBondContact O-N 3.33Å
146T89.3Confident89.4Confident2 Ų225.6 Ų25.61%0.01213%0.127CC..Hα-helixtrans-61.6-40.4177.6-53.70000111L79 T138 G142 L149 L150L79-T146 HydrophobicContact CD2-CG2 3.65Å; T138-T146 HydrophobicContact CG2-CG2 3.96Å; G142-T146 WeakPolarHBondContact O-CB 3.32Å; G142-T146 PolarHBondContact O-N 3.05Å; G142-T146 PolarHBondContact O-OG1 3.36Å; T146-L149 PolarHBondContact O-N 2.77Å; T146-L150 HydrophobicContact CG2-CD1 4.38Å; T146-L150 WeakPolarHBondContact O-CG 3.48Å; T146-L150 PolarHBondContact O-N 3.41Å; T146-L150 VanDerWaalsContact O-N 3.09Å
147R89.7Confident89.7Confident88 Ų8821.9 Ų21.933%0.33211%0.111SC..Hα-helixtrans-61.9-45.1173.3-171.8173.9170.9-168.6-7.8112.3L79 V83 T143 D144 I145 L150 E151L79-R147 HydrophobicContact CD1-CB 3.82Å; L79-R147 HydrophobicContact CD1-CG 4Å; V83-R147 HydrophobicContact CG2-CG 4.09Å; T143-R147 WeakPolarHBondContact O-CB 3.34Å; T143-R147 PolarHBondContact O-N 3.24Å; D144-R147 WeakPolarHBondContact O-CB 3.47Å; D144-R147 PolarHBondContact O-N 2.97Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 2.91Å; R147-L150 PolarHBondContact O-N 3.02Å; R147-E151 HydrophobicContact CG-CG 4.31Å; R147-E151 IonicContact CZ-OE1 3.8Å; R147-E151 IonicContact NE-OE1 2.76Å; R147-E151 PolarHBondContact NE-OE1 2.83Å; R147-E151 IonicContact NH2-OE1 2.98Å; R147-E151 PolarHBondContact NH2-OE1 3.34Å; R147-E151 WeakPolarHBondContact O-CB 3.32Å; R147-E151 PolarHBondContact O-N 3.42Å
148Y88.9Confident89.9Confident42 Ų4222.6 Ų22.617%0.16512%0.117CC..Hα-helixtrans-62.1-41.7176.6179.1-103000112.3F26 K62 L64 D144 I145 L150 S152 C153F26-Y148 HydrophobicContact CE2-CE1 4.5Å; F26-Y148 HydrophobicContact CZ-CD1 4.06Å; F26-Y148 HydrophobicContact CZ-CE1 4.02Å; K62-Y148 PolarHBondContact O-OH 3.33Å; L64-Y148 HydrophobicContact CB-CE1 4.3Å; L64-Y148 HydrophobicContact CD1-CD1 4.13Å; L64-Y148 HydrophobicContact CD1-CD2 3.67Å; L64-Y148 HydrophobicContact CD1-CE1 4.17Å; L64-Y148 HydrophobicContact CD1-CE2 3.73Å; L64-Y148 HydrophobicContact CD1-CG 3.88Å; D144-Y148 PolarHBondContact O-N 2.95Å; I145-Y148 PolarHBondContact O-N 3.03Å; Y148-L150 PolarHBondContact O-N 3.26Å; Y148-S152 WeakPolarHBondContact O-CB 3.46Å; Y148-S152 PolarHBondContact O-N 2.86Å; Y148-C153 WeakPolarHBondContact CE1-SG 3.33Å; Y148-C153 PolarHBondContact O-N 3.04Å
149L90.4Very high90Very high2 Ų222.6 Ų22.61%0.0112%0.117CC..Hα-helixtrans-59.5-41.5175.3-77.8169.5000112.6L23 F26 V58 L141 I145 T146 C153 V155 C168L23-L149 HydrophobicContact CD1-CD1 3.86Å; L23-L149 HydrophobicContact CD1-CD2 4.29Å; F26-L149 HydrophobicContact CD1-CD2 3.93Å; F26-L149 HydrophobicContact CE1-CD1 4.29Å; F26-L149 HydrophobicContact CE1-CD2 3.53Å; F26-L149 HydrophobicContact CE1-CG 3.92Å; F26-L149 HydrophobicContact CZ-CD2 4.14Å; V58-L149 HydrophobicContact CB-CD2 4.36Å; V58-L149 HydrophobicContact CG1-CD2 3.54Å; V58-L149 HydrophobicContact CG2-CD2 3.8Å; L141-L149 HydrophobicContact CD1-CD1 3.77Å; I145-L149 HydrophobicContact CG2-CD1 4.2Å; I145-L149 HydrophobicContact CG2-CG 4.5Å; I145-L149 WeakPolarHBondContact O-CG 3.2Å; I145-L149 PolarHBondContact O-N 3.33Å; T146-L149 PolarHBondContact O-N 2.77Å; L149-C153 HydrophobicContact CD2-CB 4.35Å; L149-V155 HydrophobicContact CD2-CG2 4.14Å; L149-C168 PolarHBondContact O-SG 3.42Å
150L90.7Very high89.9Confident1 Ų120.3 Ų20.31%0.00511%0.109CC..Hα-helixtrans-80.9-42.6-179.5-63.6176000113.1L80 V83 M87 N94 L96 T146 R147 Y148 C168L80-L150 HydrophobicContact CD1-CD1 4.32Å; V83-L150 HydrophobicContact CG1-CB 4.16Å; M87-L150 VanDerWaalsContact CE-O 3.24Å; M87-L150 WeakPolarHBondContact CE-O 3.14Å; N94-L150 PolarHBondContact ND2-O 2.93Å; L96-L150 HydrophobicContact CD1-CD2 4.48Å; L96-L150 HydrophobicContact CD2-CB 4.01Å; L96-L150 HydrophobicContact CD2-CD2 3.93Å; L96-L150 HydrophobicContact CD2-CG 4.37Å; T146-L150 HydrophobicContact CG2-CD1 4.38Å; T146-L150 WeakPolarHBondContact O-CG 3.48Å; T146-L150 PolarHBondContact O-N 3.41Å; T146-L150 VanDerWaalsContact O-N 3.09Å; R147-L150 PolarHBondContact O-N 3.02Å; Y148-L150 PolarHBondContact O-N 3.26Å; L150-C168 HydrophobicContact CD2-CB 4.48Å
151E88.3Confident90Very high31 Ų3121.1 Ų21.115%0.14512%0.117CC..Hα-helixtrans-74-44.7-178.9-77.1-161.8-143.800113.5V83 M87 R92 R147V83-E151 HydrophobicContact CG1-CG 4.07Å; V83-E151 HydrophobicContact CG2-CG 4.17Å; M87-E151 HydrophobicContact CE-CG 4.49Å; R92-E151 IonicContact CZ-OE2 2.58Å; R92-E151 IonicContact NH1-OE2 3.39Å; R92-E151 PolarHBondContact NH1-OE2 3.26Å; R92-E151 IonicContact NH2-OE2 2.69Å; R147-E151 HydrophobicContact CG-CG 4.31Å; R147-E151 IonicContact CZ-OE1 3.8Å; R147-E151 IonicContact NE-OE1 2.76Å; R147-E151 PolarHBondContact NE-OE1 2.83Å; R147-E151 IonicContact NH2-OE1 2.98Å; R147-E151 PolarHBondContact NH2-OE1 3.34Å; R147-E151 WeakPolarHBondContact O-CB 3.32Å; R147-E151 PolarHBondContact O-N 3.42Å
152S87.3Confident90.2Very high72 Ų7221.2 Ų21.250%0.50312%0.118SC..THydrogen-bonded Turntrans-116.2-38.8-159.8-60.40000114.7Y148Y148-S152 WeakPolarHBondContact O-CB 3.46Å; Y148-S152 PolarHBondContact O-N 2.86Å
153C92Very high90.6Very high0 Ų021.1 Ų21.10%012%0.117CC..SBendtrans-75.8163.6178.3-69.10000112.3V58 Y148 L149 V155 G169V58-C153 HydrophobicContact CG1-CB 3.92Å; Y148-C153 WeakPolarHBondContact CE1-SG 3.33Å; Y148-C153 PolarHBondContact O-N 3.04Å; L149-C153 HydrophobicContact CD2-CB 4.35Å; C153-V155 HydrophobicContact CB-CG2 4.16Å; C153-G169 WeakPolarHBondContact O-CA 3.31Å; C153-G169 PolarHBondContact O-N 3.38Å
154S95Very high91Very high4 Ų420.7 Ų20.73%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-107.1110.3162.5-58.10000109Y17 C59 C168Y17-S154 VanDerWaalsContact CE1-CB 3.47Å; Y17-S154 WeakPolarHBondContact CE1-OG 3.38Å; Y17-S154 VanDerWaalsContact OH-CB 3.29Å; Y17-S154 WeakPolarHBondContact OH-CB 2.98Å; Y17-S154 PolarHBondContact OH-OG 3.48Å; C59-S154 WeakPolarHBondContact CB-O 3.18Å; C59-S154 PolarHBondContact N-O 2.67Å; C59-S154 PolarHBondContact O-N 2.67Å; S154-C168 WeakPolarHBondContact CA-O 3.43Å
155V96.1Very high91.5Very high1 Ų117.8 Ų17.81%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-106.3134.9-175.7-175.20000110.9V56 F57 V58 W134 L149 C153 V167 C168V56-V155 HydrophobicContact CG1-CG1 3.37Å; F57-V155 WeakPolarHBondContact O-CA 3.27Å; V58-V155 HydrophobicContact CG1-CG2 4.43Å; V58-V155 HydrophobicContact CG2-CG2 4.46Å; W134-V155 HydrophobicContact CH2-CG1 4.15Å; L149-V155 HydrophobicContact CD2-CG2 4.14Å; C153-V155 HydrophobicContact CB-CG2 4.16Å; V155-V167 PolarHBondContact O-N 3.43Å; V155-C168 VanDerWaalsContact CB-SG 3.51Å; V155-C168 VanDerWaalsContact CG2-SG 3.51Å; V155-C168 PolarHBondContact N-O 2.79Å
156F96.6Very high91.9Very high0 Ų017.8 Ų17.80%010%0.099CC..EExtended strand (participates in β ladder)trans-123143.3-179.3-57.6-96.1000110.8L13 Y17 V56 F57 C59 V164 F165 Q166 A172 I754L13-F156 HydrophobicContact CD2-CD1 4.12Å; L13-F156 HydrophobicContact CD2-CD2 3.8Å; L13-F156 HydrophobicContact CD2-CE1 3.94Å; L13-F156 HydrophobicContact CD2-CE2 3.62Å; L13-F156 HydrophobicContact CD2-CG 4.06Å; L13-F156 HydrophobicContact CD2-CZ 3.69Å; Y17-F156 AromaticContact CE2-CE2 3.82Å; Y17-F156 HydrophobicContact CE2-CE2 3.82Å; Y17-F156 AromaticContact CE2-CZ 3.73Å; Y17-F156 HydrophobicContact CE2-CZ 3.73Å; Y17-F156 AromaticContact CZ-CE2 3.97Å; Y17-F156 AromaticContact CZ-CZ 3.9Å; V56-F156 WeakPolarHBondContact CA-O 3.44Å; F57-F156 PolarHBondContact N-O 2.84Å; F57-F156 PolarHBondContact O-N 2.76Å; C59-F156 HydrophobicContact CB-CD2 4.46Å; C59-F156 HydrophobicContact CB-CE2 4.06Å; F156-V164 HydrophobicContact CB-CB 4.32Å; F156-V164 HydrophobicContact CB-CG2 4.13Å; F156-V164 HydrophobicContact CD1-CG2 4.07Å; F156-V164 HydrophobicContact CG-CG2 4.45Å; F156-F165 CarbonylContact C-O 3.59Å; F156-F165 VanDerWaalsContact CA-O 3.25Å; F156-F165 WeakPolarHBondContact CA-O 3.31Å; F156-Q166 HydrophobicContact CD1-CB 3.72Å; F156-Q166 HydrophobicContact CD1-CG 4.07Å; F156-Q166 HydrophobicContact CE1-CB 3.59Å; F156-Q166 HydrophobicContact CE1-CG 3.72Å; F156-Q166 HydrophobicContact CZ-CB 4.44Å; F156-Q166 HydrophobicContact CZ-CG 4.08Å; F156-A172 HydrophobicContact CE1-CB 4.01Å; F156-A172 HydrophobicContact CZ-CB 3.96Å; F156-I754 HydrophobicContact CD1-CG2 3.94Å; F156-I754 HydrophobicContact CE1-CG2 3.76Å
157V95.3Very high92.1Very high2 Ų217.7 Ų17.71%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-112.7129.9178.7173.50000110V56 Y127 V164 F165 V167V56-V157 HydrophobicContact CG2-CG2 4.28Å; Y127-V157 HydrophobicContact CE1-CG2 4.18Å; V157-V164 CarbonylContact O-C 3.54Å; V157-V164 WeakPolarHBondContact O-CA 3.32Å; V157-V164 WeakPolarHBondContact O-CB 3.41Å; V157-F165 HydrophobicContact CB-CD1 4.18Å; V157-F165 HydrophobicContact CB-CE1 3.69Å; V157-F165 HydrophobicContact CB-CZ 3.91Å; V157-F165 HydrophobicContact CG1-CE1 3.72Å; V157-F165 HydrophobicContact CG1-CZ 4.11Å; V157-F165 HydrophobicContact CG2-CZ 4.36Å; V157-F165 PolarHBondContact N-O 2.81Å; V157-F165 PolarHBondContact O-N 3.14Å; V157-V167 HydrophobicContact CB-CG2 4.42Å; V157-V167 HydrophobicContact CG2-CG2 3.55Å
158A93.9Very high92.3Very high14 Ų1413.5 Ų13.512%0.1168%0.083CC..EExtended strand (participates in β ladder)trans-70.8137.6176.600000112.8M6 G55 F57M6-A158 HydrophobicContact CE-CB 4.15Å; G55-A158 VanDerWaalsContact O-CB 3.26Å; G55-A158 WeakPolarHBondContact O-CB 3.38Å; G55-A158 PolarHBondContact O-N 3.33Å; F57-A158 HydrophobicContact CE2-CB 4.12Å
159V91.6Very high92.4Very high0 Ų011.6 Ų11.60%08%0.075CC..EExtended strand (participates in β ladder)trans-132.592.6175.6-1700000107.4C163 F165 K738 L741 M742 Q745V159-C163 CarbonylContact C-O 3.57Å; V159-C163 PolarHBondContact N-O 3.24Å; V159-C163 PolarHBondContact O-N 2.75Å; V159-C163 VanDerWaalsContact O-O 3.11Å; V159-F165 HydrophobicContact CG2-CD1 3.64Å; V159-F165 HydrophobicContact CG2-CE1 3.85Å; V159-K738 HydrophobicContact CG1-CG 4.43Å; V159-K738 HydrophobicContact CG2-CG 4.01Å; V159-L741 HydrophobicContact CB-CB 4.44Å; V159-L741 HydrophobicContact CB-CD2 3.86Å; V159-L741 HydrophobicContact CB-CG 3.92Å; V159-L741 HydrophobicContact CG1-CB 4.04Å; V159-L741 HydrophobicContact CG1-CD2 4.36Å; V159-L741 HydrophobicContact CG1-CG 3.89Å; V159-L741 HydrophobicContact CG2-CB 4.44Å; V159-L741 HydrophobicContact CG2-CD2 3.77Å; V159-L741 HydrophobicContact CG2-CG 4.21Å; V159-M742 HydrophobicContact CG1-CG 3.68Å; V159-M742 HydrophobicContact CG1-SD 3.44Å; V159-M742 WeakPolarHBondContact CG1-SD 3.46Å; V159-Q745 PolarHBondContact O-NE2 2.67Å; V159-Q745 PolarHBondContact O-OE1 2.95Å
160P86.2Confident92.5Very high66 Ų6614.9 Ų14.943%0.42910%0.096SC..THydrogen-bonded Turntrans-54.8154.9-179.4-27.936.5000113.2A4 Q745A4-P160 HydrophobicContact CB-CB 4.39Å; P160-Q745 PolarHBondContact O-NE2 3.11Å
161P87.6Confident92.6Very high42 Ų4214.9 Ų14.927%0.27310%0.095SC..THydrogen-bonded Turncis-78.9-14.83.830.8-37.4000115.5A4 D5A4-P161 CarbonylContact C-O 3.56Å; A4-P161 WeakPolarHBondContact CA-O 3.4Å; D5-P161 PolarHBondContact N-O 3.01Å
162S90.4Very high92.7Very high3 Ų313.4 Ų13.42%0.0219%0.088CC..THydrogen-bonded Turntrans-151.83-15867.10000117.8V9 Q745 H751 H752V9-S162 WeakPolarHBondContact CG2-O 3.46Å; S162-Q745 PolarHBondContact OG-OE1 3.44Å; S162-H751 WeakPolarHBondContact OG-CA 3.32Å; S162-H751 WeakPolarHBondContact OG-CB 3.42Å; S162-H751 PolarHBondContact OG-ND1 3.02Å; S162-H752 WeakPolarHBondContact O-CA 3.46Å; S162-H752 PolarHBondContact O-N 3.26Å; S162-H752 PolarHBondContact OG-N 3.45Å
163C93.8Very high92.9Very high0 Ų010.7 Ų10.70%07%0.067CC..EExtended strand (participates in β ladder)trans-126.1162.1-172.4-66.70000113M6 V159 L741 Q745 A753M6-C163 WeakPolarHBondContact CE-O 3.13Å; V159-C163 CarbonylContact C-O 3.57Å; V159-C163 PolarHBondContact N-O 3.24Å; V159-C163 PolarHBondContact O-N 2.75Å; V159-C163 VanDerWaalsContact O-O 3.11Å; C163-L741 HydrophobicContact CB-CD1 3.75Å; C163-L741 HydrophobicContact CB-CD2 3.86Å; C163-L741 HydrophobicContact CB-CG 3.99Å; C163-Q745 PolarHBondContact SG-OE1 3.42Å; C163-A753 WeakPolarHBondContact CA-O 3.23Å; C163-A753 WeakPolarHBondContact CB-O 3.49Å
164V95.2Very high92.7Very high1 Ų113.5 Ų13.51%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-130.6161168.2-50.10000110.4M6 V9 F57 F156 V157 A753 I754 L755M6-V164 HydrophobicContact CE-CG1 3.44Å; M6-V164 VanDerWaalsContact CE-CG1 3.44Å; V9-V164 HydrophobicContact CG1-CB 4.4Å; V9-V164 HydrophobicContact CG1-CG1 3.87Å; V9-V164 HydrophobicContact CG1-CG2 3.75Å; F57-V164 HydrophobicContact CD2-CG1 4.32Å; F57-V164 HydrophobicContact CE2-CG1 4.28Å; F156-V164 HydrophobicContact CB-CB 4.32Å; F156-V164 HydrophobicContact CB-CG2 4.13Å; F156-V164 HydrophobicContact CD1-CG2 4.07Å; F156-V164 HydrophobicContact CG-CG2 4.45Å; V157-V164 CarbonylContact O-C 3.54Å; V157-V164 WeakPolarHBondContact O-CA 3.32Å; V157-V164 WeakPolarHBondContact O-CB 3.41Å; V164-A753 PolarHBondContact N-O 3.48Å; V164-I754 HydrophobicContact CG2-CB 4.08Å; V164-I754 HydrophobicContact CG2-CG1 3.74Å; V164-I754 HydrophobicContact CG2-CG2 3.95Å; V164-I754 CarbonylContact O-C 3.2Å; V164-I754 WeakPolarHBondContact O-CA 3.3Å; V164-L755 PolarHBondContact O-N 2.93Å
165F95.4Very high92.3Very high2 Ų216.4 Ų16.41%0.0099%0.093CC..EExtended strand (participates in β ladder)trans-125.5150.6163.471.7-82.5000112Y127 F156 V157 V159 V167 M737 K738 L741 L755Y127-F165 HydrophobicContact CD1-CE2 4.1Å; Y127-F165 HydrophobicContact CD1-CZ 4.02Å; Y127-F165 HydrophobicContact CE1-CE2 4.2Å; Y127-F165 AromaticContact CE1-CZ 3.72Å; Y127-F165 HydrophobicContact CE1-CZ 3.72Å; Y127-F165 HydrophobicContact CE2-CZ 4.4Å; Y127-F165 HydrophobicContact CG-CZ 4.47Å; Y127-F165 AromaticContact CZ-CZ 3.95Å; F156-F165 CarbonylContact C-O 3.59Å; F156-F165 VanDerWaalsContact CA-O 3.25Å; F156-F165 WeakPolarHBondContact CA-O 3.31Å; V157-F165 HydrophobicContact CB-CD1 4.18Å; V157-F165 HydrophobicContact CB-CE1 3.69Å; V157-F165 HydrophobicContact CB-CZ 3.91Å; V157-F165 HydrophobicContact CG1-CE1 3.72Å; V157-F165 HydrophobicContact CG1-CZ 4.11Å; V157-F165 HydrophobicContact CG2-CZ 4.36Å; V157-F165 PolarHBondContact N-O 2.81Å; V157-F165 PolarHBondContact O-N 3.14Å; V159-F165 HydrophobicContact CG2-CD1 3.64Å; V159-F165 HydrophobicContact CG2-CE1 3.85Å; F165-V167 HydrophobicContact CD2-CG2 4.32Å; F165-V167 HydrophobicContact CE2-CG2 3.81Å; F165-V167 HydrophobicContact CZ-CG2 4.43Å; F165-M737 HydrophobicContact CB-CG 3.57Å; F165-M737 HydrophobicContact CB-SD 4.36Å; F165-M737 HydrophobicContact CD1-CG 4.06Å; F165-M737 HydrophobicContact CD2-CB 4.01Å; F165-M737 HydrophobicContact CD2-CG 3.51Å; F165-M737 HydrophobicContact CE2-CB 4.17Å; F165-M737 HydrophobicContact CE2-CG 4.16Å; F165-M737 HydrophobicContact CG-CB 4.31Å; F165-M737 HydrophobicContact CG-CG 3.44Å; F165-M737 VanDerWaalsContact CG-CG 3.44Å; F165-K738 HydrophobicContact CE1-CB 3.79Å; F165-K738 HydrophobicContact CE1-CG 4.32Å; F165-K738 HydrophobicContact CZ-CB 4.17Å; F165-L741 HydrophobicContact CB-CD2 4.24Å; F165-L741 HydrophobicContact CD1-CD2 4.43Å; F165-L755 CarbonylContact C-O 3.58Å; F165-L755 WeakPolarHBondContact CA-O 2.87Å; F165-L755 HydrophobicContact CB-CB 4.24Å
166Q95.8Very high91.6Very high0 Ų016.5 Ų16.50%09%0.093CC..EExtended strand (participates in β ladder)trans-83.6130.9177.2-168.5173.82.200111.2V95 F156 C168 V170 L755 V756V95-Q166 HydrophobicContact CB-CG 4.48Å; V95-Q166 HydrophobicContact CG2-CG 4.16Å; F156-Q166 HydrophobicContact CD1-CB 3.72Å; F156-Q166 HydrophobicContact CD1-CG 4.07Å; F156-Q166 HydrophobicContact CE1-CB 3.59Å; F156-Q166 HydrophobicContact CE1-CG 3.72Å; F156-Q166 HydrophobicContact CZ-CB 4.44Å; F156-Q166 HydrophobicContact CZ-CG 4.08Å; Q166-C168 VanDerWaalsContact CG-O 3.3Å; Q166-C168 WeakPolarHBondContact CG-O 3.48Å; Q166-C168 PolarHBondContact NE2-O 2.93Å; Q166-V170 PolarHBondContact NE2-O 2.93Å; Q166-L755 PolarHBondContact N-O 3.18Å; Q166-V756 HydrophobicContact CB-CB 4.5Å; Q166-V756 HydrophobicContact CB-CG1 4.27Å; Q166-V756 HydrophobicContact CB-CG2 3.99Å
167V93.8Very high89.8Confident0 Ų020 Ų200%012%0.117CC..EExtended strand (participates in β ladder)trans-93.9-53.1176.3177.80000110.6L96 S124 Y127 V128 V155 V157 F165L96-V167 HydrophobicContact CD1-CG1 4.29Å; L96-V167 PolarHBondContact N-O 3.06Å; S124-V167 WeakPolarHBondContact CB-O 3.12Å; S124-V167 PolarHBondContact OG-O 3.35Å; Y127-V167 HydrophobicContact CD1-CG2 4.22Å; Y127-V167 HydrophobicContact CE1-CG2 4.19Å; V128-V167 HydrophobicContact CG2-CG1 3.5Å; V155-V167 PolarHBondContact O-N 3.43Å; V157-V167 HydrophobicContact CB-CG2 4.42Å; V157-V167 HydrophobicContact CG2-CG2 3.55Å; F165-V167 HydrophobicContact CD2-CG2 4.32Å; F165-V167 HydrophobicContact CE2-CG2 3.81Å; F165-V167 HydrophobicContact CZ-CG2 4.43Å
168C93.4Very high87.5Confident1 Ų125.1 Ų25.11%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-136.8177-176.5680000112.3L96 L149 L150 S154 V155 Q166L96-C168 HydrophobicContact CB-CB 3.99Å; L96-C168 HydrophobicContact CD1-CB 4.45Å; L96-C168 HydrophobicContact CD2-CB 4.48Å; L149-C168 PolarHBondContact O-SG 3.42Å; L150-C168 HydrophobicContact CD2-CB 4.48Å; S154-C168 WeakPolarHBondContact CA-O 3.43Å; V155-C168 VanDerWaalsContact CB-SG 3.51Å; V155-C168 VanDerWaalsContact CG2-SG 3.51Å; V155-C168 PolarHBondContact N-O 2.79Å; Q166-C168 VanDerWaalsContact CG-O 3.3Å; Q166-C168 WeakPolarHBondContact CG-O 3.48Å; Q166-C168 PolarHBondContact NE2-O 2.93Å
169G91.5Very high84.7Confident1 Ų127.6 Ų27.61%0.0117%0.166CC..SBendtrans92.2179.8179.500000113.5N94 V95 C153N94-G169 CarbonylContact C-O 3.59Å; N94-G169 VanDerWaalsContact CA-O 3.28Å; N94-G169 WeakPolarHBondContact CA-O 3.37Å; N94-G169 WeakPolarHBondContact ND2-CA 3.46Å; N94-G169 PolarHBondContact ND2-N 2.69Å; N94-G169 VanDerWaalsContact ND2-N 3.18Å; N94-G169 PolarHBondContact OD1-N 2.92Å; N94-G169 PolarHBondContact OD1-O 3.04Å; V95-G169 PolarHBondContact N-O 3.46Å; C153-G169 WeakPolarHBondContact O-CA 3.31Å; C153-G169 PolarHBondContact O-N 3.38Å
170V91.6Very high82.1Confident72 Ų7230.4 Ų30.444%0.43618%0.184SC..SBendtrans-61.7132.7175.2-179.40000109Q166 A172Q166-V170 PolarHBondContact NE2-O 2.93Å; V170-A172 PolarHBondContact O-N 3.46Å
171P92.7Very high79.3Confident0 Ų032.8 Ų32.80%020%0.199CC..  trans-57.8124.3-174-22.430.8000112.9V95 Y173 D174 V756V95-P171 HydrophobicContact CG2-CB 3.88Å; V95-P171 HydrophobicContact CG2-CG 3.79Å; P171-Y173 HydrophobicContact CB-CD1 3.8Å; P171-Y173 HydrophobicContact CB-CD2 4.43Å; P171-Y173 HydrophobicContact CB-CE1 3.39Å; P171-Y173 HydrophobicContact CB-CE2 4.06Å; P171-Y173 HydrophobicContact CB-CG 4.32Å; P171-Y173 HydrophobicContact CG-CE1 4.34Å; P171-Y173 PolarHBondContact O-N 2.85Å; P171-D174 WeakPolarHBondContact O-CB 3.39Å; P171-D174 PolarHBondContact O-N 3.49Å; P171-V756 HydrophobicContact CB-CG1 4.3Å
172A92.3Very high76.4Confident0 Ų036 Ų360%022%0.222CC..Hα-helixtrans-57.5-28.7-173.700000113F156 V170 D174 R175 V176 I709 V756F156-A172 HydrophobicContact CE1-CB 4.01Å; F156-A172 HydrophobicContact CZ-CB 3.96Å; V170-A172 PolarHBondContact O-N 3.46Å; A172-D174 PolarHBondContact O-N 2.92Å; A172-R175 WeakPolarHBondContact O-CB 3.38Å; A172-R175 PolarHBondContact O-N 2.73Å; A172-R175 VanDerWaalsContact O-N 3.14Å; A172-V176 PolarHBondContact O-N 3.46Å; A172-I709 HydrophobicContact CB-CD1 3.76Å; A172-V756 HydrophobicContact CB-CG2 4.17Å
173Y91.7Very high73.5Confident15 Ų1541.2 Ų41.26%0.05926%0.259CS..Hα-helixtrans-67.5-15.6177.262.6-105.3000113.9P171 A707 K719 F721 V756 Q758P171-Y173 HydrophobicContact CB-CD1 3.8Å; P171-Y173 HydrophobicContact CB-CD2 4.43Å; P171-Y173 HydrophobicContact CB-CE1 3.39Å; P171-Y173 HydrophobicContact CB-CE2 4.06Å; P171-Y173 HydrophobicContact CB-CG 4.32Å; P171-Y173 HydrophobicContact CG-CE1 4.34Å; P171-Y173 PolarHBondContact O-N 2.85Å; Y173-A707 HydrophobicContact CD1-CB 3.4Å; Y173-A707 HydrophobicContact CE1-CB 4.06Å; Y173-A707 HydrophobicContact CG-CB 3.87Å; Y173-K719 WeakPolarHBondContact O-CD 3.17Å; Y173-K719 PolarHBondContact O-NZ 2.77Å; Y173-F721 HydrophobicContact CD1-CE1 4.3Å; Y173-F721 AromaticContact CD2-CE1 3.71Å; Y173-F721 HydrophobicContact CD2-CE1 3.71Å; Y173-F721 AromaticContact CD2-CZ 3.78Å; Y173-F721 HydrophobicContact CD2-CZ 3.78Å; Y173-F721 HydrophobicContact CE1-CE1 4.47Å; Y173-F721 AromaticContact CE2-CE1 3.9Å; Y173-F721 HydrophobicContact CE2-CE1 3.9Å; Y173-F721 HydrophobicContact CE2-CZ 4.16Å; Y173-F721 AromaticContact CG-CE1 3.92Å; Y173-F721 HydrophobicContact CG-CE1 3.92Å; Y173-F721 HydrophobicContact CG-CZ 4.27Å; Y173-V756 HydrophobicContact CD1-CB 3.87Å; Y173-V756 HydrophobicContact CD1-CG1 3.92Å; Y173-V756 HydrophobicContact CD1-CG2 4.17Å; Y173-V756 HydrophobicContact CE1-CB 4.13Å; Y173-V756 HydrophobicContact CE1-CG1 3.77Å; Y173-Q758 HydrophobicContact CE1-CG 4.14Å; Y173-Q758 VanDerWaalsContact CZ-NE2 3.35Å; Y173-Q758 PolarHBondContact OH-NE2 2.83Å; Y173-Q758 VanDerWaalsContact OH-NE2 3.17Å
174D87.7Confident70.4Confident59 Ų5944 Ų4432%0.31629%0.288SS..Hα-helixtrans-74.9-38.7170.8-66.5-56.9000111.3R93 P171 A172 V176R93-D174 VanDerWaalsContact CZ-CG 3.47Å; R93-D174 IonicContact CZ-OD1 3.77Å; R93-D174 VanDerWaalsContact CZ-OD1 3.23Å; R93-D174 IonicContact CZ-OD2 3.84Å; R93-D174 IonicContact NE-OD2 3.56Å; R93-D174 IonicContact NH1-OD1 3.24Å; R93-D174 PolarHBondContact NH1-OD1 3.24Å; R93-D174 IonicContact NH1-OD2 2.7Å; R93-D174 PolarHBondContact NH1-OD2 2.88Å; R93-D174 IonicContact NH2-OD1 3.41Å; R93-D174 PolarHBondContact NH2-OD1 2.8Å; R93-D174 IonicContact NH2-OD2 3.07Å; R93-D174 PolarHBondContact NH2-OD2 3.48Å; P171-D174 WeakPolarHBondContact O-CB 3.39Å; P171-D174 PolarHBondContact O-N 3.49Å; A172-D174 PolarHBondContact O-N 2.92Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 3.12Å
175R84.9Confident67Low65 Ų6551.3 Ų51.325%0.24532%0.32CS..Hα-helixtrans-66.8-29.9175.8-61.6-179.1173-116.8-5.8112.6L16 Y17 D61 A172 S177L16-R175 HydrophobicContact CD2-CB 3.82Å; L16-R175 WeakPolarHBondContact O-CD 3.31Å; L16-R175 PolarHBondContact O-NH1 3.15Å; Y17-R175 VanDerWaalsContact CD1-NH1 3.34Å; Y17-R175 VanDerWaalsContact CE1-NE 3.27Å; D61-R175 VanDerWaalsContact CG-NH1 3.33Å; D61-R175 IonicContact OD1-CZ 2.71Å; D61-R175 IonicContact OD1-NH1 3.58Å; D61-R175 PolarHBondContact OD1-NH1 3.49Å; D61-R175 IonicContact OD1-NH2 3.26Å; D61-R175 IonicContact OD2-CZ 3.71Å; D61-R175 VanDerWaalsContact OD2-CZ 3.27Å; D61-R175 IonicContact OD2-NH1 3.95Å; D61-R175 PolarHBondContact OD2-NH1 3.38Å; D61-R175 IonicContact OD2-NH2 3.97Å; D61-R175 PolarHBondContact OD2-NH2 2.99Å; A172-R175 WeakPolarHBondContact O-CB 3.38Å; A172-R175 PolarHBondContact O-N 2.73Å; A172-R175 VanDerWaalsContact O-N 3.14Å; R175-S177 VanDerWaalsContact C-N 3.33Å; R175-S177 PolarHBondContact O-N 3.37Å; R175-S177 PolarHBondContact O-OG 3.06Å; R175-S177 VanDerWaalsContact O-OG 3.14Å
176V81.3Confident63.5Low3 Ų359.4 Ų59.42%0.01836%0.358CS..SBendtrans-63.492.4174.7179.10000110.3L16 A172 D174 T178 I709 L717 K719L16-V176 HydrophobicContact CD1-CG2 4.15Å; L16-V176 HydrophobicContact CD2-CG2 4.02Å; A172-V176 PolarHBondContact O-N 3.46Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 3.12Å; V176-T178 PolarHBondContact O-N 3.14Å; V176-I709 HydrophobicContact CG2-CB 4.46Å; V176-I709 HydrophobicContact CG2-CD1 3.91Å; V176-I709 HydrophobicContact CG2-CG1 4.07Å; V176-I709 HydrophobicContact CG2-CG2 3.56Å; V176-L717 HydrophobicContact CB-CD2 4.45Å; V176-L717 HydrophobicContact CG1-CD2 4.25Å; V176-L717 HydrophobicContact CG1-CG 4.1Å; V176-L717 HydrophobicContact CG2-CD2 3.88Å; V176-L717 HydrophobicContact CG2-CG 4.3Å; V176-K719 HydrophobicContact CB-CB 4.48Å; V176-K719 HydrophobicContact CB-CD 4.03Å; V176-K719 HydrophobicContact CB-CG 4.48Å; V176-K719 HydrophobicContact CG1-CB 3.98Å; V176-K719 HydrophobicContact CG1-CD 4.01Å; V176-K719 HydrophobicContact CG1-CG 3.95Å; V176-K719 PolarHBondContact O-NZ 3.27Å
177S58.9Low60.1Low73 Ų7365.9 Ų65.951%0.5139%0.392SS..  trans-77.8111.9-169.5-790000113.2R175 S179R175-S177 VanDerWaalsContact C-N 3.33Å; R175-S177 PolarHBondContact O-N 3.37Å; R175-S177 PolarHBondContact O-OG 3.06Å; R175-S177 VanDerWaalsContact O-OG 3.14Å; S177-S179 VanDerWaalsContact CB-O 3.3Å; S177-S179 WeakPolarHBondContact CB-O 3.39Å
178T48.1Very low56.7Low111 Ų11174.8 Ų74.868%0.68143%0.433SS*.SBendtrans-80.1-6165.2530000112.8V176V176-T178 PolarHBondContact O-N 3.14Å
179S34.4Very low53.3Low66 Ų6682.1 Ų82.146%0.46247%0.472SS..SBendtrans-134.4131.4170-56.40000108.3S177 F928S177-S179 VanDerWaalsContact CB-O 3.3Å; S177-S179 WeakPolarHBondContact CB-O 3.39Å; S179-F928 WeakPolarHBondContact OG-CE1 3.37Å
180P36.8Very low50Low59 Ų5993.5 Ų93.538%0.38351%0.514SS..  trans-66.5161.4-174.128.7-35.8000113.1
181P27.3Very low46.8Very low115 Ų11598.3 Ų98.375%0.74754%0.536SS*.  trans-60.1155.3-179.525.2-35.6000113.1S183P181-S183 PolarHBondContact O-N 2.89Å; P181-S183 VanDerWaalsContact O-N 3.14Å
182S28.3Very low43.5Very low109 Ų109104.9 Ų104.976%0.76258%0.577SS**  trans-74.597.9-177.752.10000112.5
183S29Very low40.2Very low113 Ų113108.2 Ų108.279%0.7961%0.611SS**  trans-78.4135.6152.944.30000109.8P181P181-S183 PolarHBondContact O-N 2.89Å; P181-S183 VanDerWaalsContact O-N 3.14Å
184G27.7Very low37Very low59 Ų59119.9 Ų119.961%0.60866%0.655SS**  trans-67.3136.9-176.800000112.8H186G184-H186 PolarHBondContact O-N 2.75Å
185F23.7Very low33.8Very low154 Ų154122.2 Ų122.268%0.67568%0.676SS**  trans-81.781.9178-169.1-94.3000110.7L187F185-L187 HydrophobicContact CD1-CG 4.34Å; F185-L187 HydrophobicContact CE1-CD1 4.41Å; F185-L187 HydrophobicContact CE1-CD2 3.66Å; F185-L187 HydrophobicContact CE1-CG 3.78Å; F185-L187 HydrophobicContact CZ-CD2 4.04Å
186H23.4Very low30.9Very low173 Ų173126.8 Ų126.880%0.80170%0.704SS**  trans-87.7118171.3-70.9-82.4000110.6G184 Q188G184-H186 PolarHBondContact O-N 2.75Å; H186-Q188 VanDerWaalsContact C-N 3.32Å; H186-Q188 PolarHBondContact O-N 3.35Å
187L23Very low28.1Very low136 Ų136131.8 Ų131.871%0.71274%0.739SS**  trans-74.185.6169.2-74.9171.1000109.4F185 L189F185-L187 HydrophobicContact CD1-CG 4.34Å; F185-L187 HydrophobicContact CE1-CD1 4.41Å; F185-L187 HydrophobicContact CE1-CD2 3.66Å; F185-L187 HydrophobicContact CE1-CG 3.78Å; F185-L187 HydrophobicContact CZ-CD2 4.04Å; L187-L189 PolarHBondContact O-N 3.2Å
188Q22.6Very low26.4Very low186 Ų186136.4 Ų136.487%0.86975%0.752SS**  trans-68115.6170.8-152.6171.116.500108.5H186H186-Q188 VanDerWaalsContact C-N 3.32Å; H186-Q188 PolarHBondContact O-N 3.35Å
189L23.1Very low25.3Very low156 Ų156141 Ų14182%0.81776%0.763SS**  trans-63.8141.5176.5-82.384.7000109.7L187 L191L187-L189 PolarHBondContact O-N 3.2Å; L189-L191 PolarHBondContact O-N 3.09Å
190R22Very low24.7Very low240 Ų240141 Ų14191%0.90677%0.773SS**  trans-70.298169.2-75.7-179.8167.1-167.3-6.8109.5
191L24.6Very low24.1Very low172 Ų172149.4 Ų149.490%0.90180%0.798SS**  trans-74.5131.3153.8-71.3171.3000108.3L189L189-L191 PolarHBondContact O-N 3.09Å
192T23Very low23.9Very low139 Ų139148.7 Ų148.785%0.85379%0.787SS**  trans-90.1110-172.742.30000112
193G22.9Very low23.6Very low69 Ų69151.4 Ų151.471%0.71179%0.786SS**  trans76.9115.514800000118.2
194R23.5Very low23.3Very low261 Ų261157.3 Ų157.399%0.98579%0.791SS**  -155.7170.9119.4-106.1165.2-172.1-158.3-0.2109.8
195S21.3Very low23.1Very low108 Ų108159.3 Ų159.376%0.75580%0.795SS**  trans-86.2-170.5-166-1630000113.3
196L23.9Very low23Very low161 Ų161159.6 Ų159.684%0.84380%0.803SS**  trans82.5143.8173.1-52.6161.4000115.4
197S22.2Very low23Very low107 Ų107163.1 Ų163.175%0.74881%0.809SS**  cis-163.3-176.8-2248.40000109.9
198H23.2Very low22.9Very low170 Ų170166.5 Ų166.579%0.78782%0.818SS**  trans-63.8176.8-177.1-97.8-108.8000116.2
199F24.5Very low22.9Very low207 Ų207169.3 Ų169.391%0.90882%0.821SS**  trans92.5146.8168.1-57.7-77.6000117.8
200G21.8Very low22.8Very low66 Ų66165.4 Ų165.468%0.6882%0.819SS**  cis155.1104.7-13.400000116.7
201R24.3Very low22.8Very low237 Ų237164.9 Ų164.989%0.89482%0.816SS**  trans69.1148.9158.6-80-170.5174.4164-1.8121.9
202D22.9Very low22.7Very low99 Ų99164.2 Ų164.253%0.52981%0.809SS.*  trans31.7120.3149.1-67.1-78.6000125.5
203K23.5Very low22.6Very low167 Ų167166.2 Ų166.273%0.72681%0.806SS**  39.1130.9116.2-56.3-175-167.2105.10121.1
204R22.3Very low22.6Very low237 Ų237168.2 Ų168.289%0.89480%0.804SS**  trans69.9148.8151-68.7173177.5-176-2.8114.8
205S22.9Very low22.6Very low101 Ų101163.1 Ų163.171%0.70679%0.791SS**  cis-159.2157-535.90000112.2
206L22.1Very low22.7Very low159 Ų159163.7 Ų163.783%0.83279%0.786SS**  trans21.9117.1146.5-61.6163.6000118.9
207R22.9Very low22.6Very low247 Ų247163.5 Ų163.593%0.93279%0.785SS**  179.3159.9102.8-94.4174.6-169.3-1592.7112.2
208F21.2Very low22.8Very low207 Ų207161.4 Ų161.491%0.90877%0.774SS**  trans-85.4137169.3-89.3-113000110.9
209R23.3Very low22.9Very low246 Ų246162.2 Ų162.293%0.92878%0.778SS**  176.5123.1118.1-101.3-175.8173.4-164.4-1113.3
210G21.3Very low23Very low74 Ų74156.5 Ų156.576%0.76376%0.764SS**  61.5121.4113.500000123
211R21.8Very low23.3Very low228 Ų228161.4 Ų161.486%0.8677%0.769SS**  trans84.3140.5140.5-82.3-176.2171-171.5-0.8121.8
212Q22.5Very low23.6Very low158 Ų158156 Ų15674%0.73876%0.757SS**  trans63.8123.9156.4-69.8154.1-76.900117.3
213K21.2Very low23.9Very low181 Ų181160.7 Ų160.779%0.78777%0.767SS**  cis87.3142.129.2-163.1-165.4173.1-170.50112.7
214V22.4Very low24.2Very low112 Ų112162 Ų16268%0.67977%0.768SS**  trans81.8111.3-178.2-170.80000109.8
215E22.5Very low24.4Very low153 Ų153161 Ų16172%0.71576%0.764SS**  71.9148.262.6-69-178.4-131.100112.5
216N23.3Very low24.7Very low121 Ų121166.5 Ų166.565%0.64777%0.769SS**  cis-155.9-157.9-3.9-130.9-44.3000109.8
217L23.8Very low24.9Very low156 Ų156166.4 Ų166.482%0.81776%0.762SS**  trans82148.9163.7-65.2103.9000117.8
218A24.6Very low25.1Very low64 Ų64159.7 Ų159.753%0.52974%0.741SS.*  cis-170153.7-25.200000110.6
219Q26Very low25.3Very low187 Ų187158.8 Ų158.887%0.87474%0.737SS**  trans63.9158.4149-71.7166.612.500118.3
220S25.9Very low25.4Very low87 Ų87150.7 Ų150.761%0.60873%0.73SS**  cis-163.7176.9-25.954.60000111.3
221Q28.7Very low25.6Very low168 Ų168153.5 Ų153.579%0.78573%0.728SS**  trans88.7147.9158.2-47.7-141.927.100119.9
222I31.1Very low25.7Very low125 Ų125150.2 Ų150.264%0.64172%0.72SS**  cis-174.1164.9-45.3-111.9164.8000110.8
223R28.9Very low25.8Very low196 Ų196152.4 Ų152.474%0.7472%0.721SS**  trans74.5145.6162.4-87.1155.3-158.6-161.44.7117.8
224R30.5Very low26Very low195 Ų195152.2 Ų152.274%0.73672%0.72SS**  cis-169.7141.1-12.9-140.9-178.8-155.5164-0.5113
225R26Very low26.1Very low215 Ų215157.8 Ų157.881%0.81173%0.729SS**  160.8132.6119.9-91.1178173.8-171.3-0.6113.6
226R28.4Very low26.3Very low217 Ų217159.6 Ų159.682%0.81974%0.735SS**  trans40.9149.4139.9-64.1-177.4174.1175.5-3119.9
227K27.1Very low26.4Very low158 Ų158164.8 Ų164.869%0.68775%0.745SS**  cis-169.9168-0.5-113.4-158.7-179.8-130.70105.9
228E26.1Very low26.4Very low105 Ų105160.9 Ų160.949%0.49174%0.743SS.*  cis-169.6155.4-19.8-156.8171-94.400109.7
229K26.8Very low26.3Very low189 Ų189165.3 Ų165.382%0.82276%0.756SS**  trans65.8151.1164.4-75149.4179.5155.80119.6
230G24.2Very low26.2Very low76 Ų76162.2 Ų162.278%0.78475%0.746SS**  trans-173.8-51.2178.500000118.3
231N25.2Very low26Very low133 Ų133165.1 Ų165.171%0.71175%0.75SS**  trans69.5131.8171.3-108.1-25.1000121
232K25.2Very low25.8Very low159 Ų159163.3 Ų163.369%0.69175%0.745SS**  trans61.1133.6140.9-69163.2-174.1172.30119.2
233R24.6Very low25.4Very low203 Ų203164.5 Ų164.577%0.76675%0.748SS**  cis176.2140.930.8-116.4167.2176.2-174.7-1.4111.2
234K25.5Very low25.1Very low177 Ų177163.3 Ų163.377%0.7775%0.751SS**  trans58165.7148.2-63.3179.9177.2-176.80118.4
235R24.4Very low24.7Very low230 Ų230161.6 Ų161.687%0.86875%0.751SS**  cis-155.9170.4-24.2-118.2-173.1175.8-177.5-1.5104.8
236K25.4Very low24.6Very low191 Ų191159.9 Ų159.983%0.8375%0.754SS**  cis-143.8167.33.2-171.5-151.8160.7-168.10107.2
237R25.7Very low24.4Very low230 Ų230153.2 Ų153.287%0.86875%0.753SS**  trans-74.2171.2160.2-63.5174.9177.8165.7-4110.9
238G23.4Very low24.2Very low74 Ų74152.1 Ų152.176%0.76376%0.76SS**  cis179.7-152.210.800000112.8
239L23.2Very low24Very low157 Ų157151.9 Ų151.982%0.82277%0.769SS**  trans-114.8-177.7176.5-148.880.5000109.9
240D24Very low23.7Very low121 Ų121149 Ų14965%0.64777%0.773SS**  trans72.9146167.7-54.1-56.5000116.5
241Q22.6Very low23.7Very low149 Ų149148.9 Ų148.970%0.69677%0.772SS**  cis-160.8162.4-9.2-111.116339.400110.9
242L23.8Very low23.6Very low130 Ų130151.9 Ų151.968%0.68178%0.779SS**  trans29.7157.6144.6-51.6172.8000123.4
243E22.1Very low23.5Very low149 Ų149154.3 Ų154.370%0.69678%0.784SS**  cis-115.9-111.9-2.5-161.465.9-99.800111
244E23Very low23.5Very low172 Ų172153.4 Ų153.480%0.80478%0.78SS**  cis-157.7-177-12.4-145.6159.516400110.8
245E22.9Very low23.6Very low159 Ų159153.8 Ų153.874%0.74378%0.777SS**  trans53.397172.1-63.6-144121.200121.3
246M23.1Very low23.6Very low178 Ų178149.5 Ų149.588%0.87777%0.77SS**  54156127.4-64.5-160.3-7600123.6
247G23.8Very low23.5Very low77 Ų77144.4 Ų144.479%0.79476%0.764SS**  trans127.467.5153.700000117.8S249G247-S249 PolarHBondContact O-N 2.99Å
248T23.1Very low23.4Very low136 Ų136139 Ų13983%0.83475%0.752SS**  trans-68.7119.9-178.947.10000116.2
249S21.3Very low23.3Very low99 Ų99141.6 Ų141.669%0.69275%0.754SS**  trans56.8122.613567.30000123.6G247G247-S249 PolarHBondContact O-N 2.99Å
250S22.1Very low23.2Very low128 Ų128141.7 Ų141.790%0.89575%0.75SS**  trans76.8151.1138.483.60000120.6
251G22.6Very low23Very low74 Ų74140.6 Ų140.676%0.76375%0.751SS**  trans150.269.8161.600000121.2
252K23.5Very low22.9Very low197 Ų197139.5 Ų139.586%0.85775%0.75SS**  trans19.6121.2149.7-63.7169.3179.9165.50122.1
253R22.9Very low22.8Very low210 Ų210140 Ų14079%0.79275%0.749SS**  71.9146.1127-80.6-177166.5177.5-3.3123.1
254R26.3Very low22.7Very low183 Ų183139.9 Ų139.969%0.69175%0.749SS**  trans79.1153.1143.1-86.1-178.6173.8-175.8-2.8116.6
255R25.6Very low22.5Very low186 Ų186139.5 Ų139.570%0.70275%0.747SS**  cis-163.2-176.1-0.2-144175.9-177.2-176.8-3.8112.7
256L26.3Very low22.3Very low139 Ų139137.2 Ų137.273%0.72874%0.744SS**  trans85.5153.8154.4-70.9151.6000116.9N258L256-N258 WeakPolarHBondContact CD2-OD1 3.34Å
257A22.1Very low22.1Very low84 Ų84134.3 Ų134.369%0.69474%0.736SS**  cis-134153.811.500000115.7
258N22.9Very low21.9Very low117 Ų117138.7 Ų138.763%0.62674%0.736SS**  trans42.9155.7135.6-63.824.9000121.5L256L256-N258 WeakPolarHBondContact CD2-OD1 3.34Å
259T22.2Very low21.7Very low129 Ų129138 Ų13879%0.79172%0.723SS**  cis-141.6171.732.8-53.60000114.9
260E20.4Very low21.7Very low159 Ų159141.2 Ų141.274%0.74372%0.72SS**  trans-71.7173-178-79.5147175.700116.1
261S20.5Very low21.7Very low97 Ų97142.4 Ų142.468%0.67871%0.711SS**  cis-169.7-172-13.5540000112.5
262N20.2Very low21.6Very low126 Ų126143.5 Ų143.567%0.67470%0.703SS**  trans101.8112.3156.2-68.622.9000122.3
263Q21.7Very low21.5Very low141 Ų141145.3 Ų145.366%0.65971%0.705SS**  67.2119.5128.7-67.9175.5-78.200125
264E19.9Very low21.3Very low147 Ų147143.4 Ų143.469%0.68770%0.703SS**  84.6118.9123.1-69.5169-146.700125.3
265Q19.5Very low21.1Very low163 Ų163141.5 Ų141.576%0.76271%0.711SS**  trans62.1142130.6-61.6-162.417.100125.7
266T18.1Very low21Very low112 Ų112139.7 Ų139.769%0.68771%0.711SS**  trans67.5113.7143.8440000124
267V19.2Very low21.2Very low116 Ų116138.4 Ų138.470%0.70371%0.711SS**  59.4138.3111.7178.80000121
268E19.4Very low21.2Very low169 Ų169137.4 Ų137.479%0.7970%0.702SS**  trans65.8161.5161.5-83.1169.6-162.900118.8
269E19.2Very low21.2Very low121 Ų121138.6 Ų138.657%0.56571%0.714SS**  cis-151.2173.9-38.3-139.1-161.2161.200110.2
270R20.9Very low21.2Very low167 Ų167136.6 Ų136.663%0.6371%0.705SS**  trans46.9121.9146-79.2-178.6-163.4164.433.2123.5
271Q21.9Very low21.3Very low154 Ų154138.8 Ų138.872%0.7271%0.707SS**  71170.2120.5-67172.95.700118
272T21.3Very low21.5Very low97 Ų97142.7 Ų142.760%0.59571%0.707SS**  cis-141.8164.9-11.750000107.8
273R20.5Very low21.4Very low234 Ų234143 Ų14388%0.88371%0.708SS**  -165.2140.274.7-85.4-177.3176178.9-1.6113
274F20.1Very low21.4Very low171 Ų171141.8 Ų141.875%0.7571%0.71SS**  trans-71160.2161.9-74.5-118.9000110.4
275V22.2Very low21.4Very low143 Ų143142.4 Ų142.487%0.86771%0.713SS**  -136109.5115.7-178.30000109
276E22.8Very low21.5Very low148 Ų148141.4 Ų141.469%0.69271%0.713SS**  trans-103.6144.6149.1-150-175.1-119.100104.8A278E276-A278 HydrophobicContact CG-CB 4.24Å
277P30.3Very low21.6Very low112 Ų112139.6 Ų139.673%0.72772%0.716SS**  -144155.795.235.6-18.5000112.8
278A23Very low21.7Very low63 Ų63141.2 Ų141.252%0.52173%0.727SS.*  cis83.1128.22400000115.9E276E276-A278 HydrophobicContact CG-CB 4.24Å
279T22.7Very low21.9Very low141 Ų141139.5 Ų139.587%0.86573%0.728SS**  trans-179.8143.6142.321.70000109.7
280S22.1Very low22Very low88 Ų88137.2 Ų137.262%0.61574%0.737SS**  cis-170.5133.3-28.944.30000111.9
281R22.7Very low22.1Very low204 Ų204137.7 Ų137.777%0.7774%0.744SS**  trans66149.7135.9-65.4-175.5177.7-179.61.2118.4
282R23Very low22.1Very low180 Ų180139.7 Ų139.768%0.67975%0.75SS**  cis-161.5177.4-0.4-131.4179-172178.2-0.4113.8
283D19.4Very low22.1Very low131 Ų131142.8 Ų142.870%0.70176%0.758SS**  trans73141.9152.7-57.3-21.8000119.3
284V20.9Very low22.1Very low116 Ų116138 Ų13870%0.70376%0.755SS**  cis-155.3163.3-16.5114.50000110.5
285E20.7Very low22.1Very low160 Ų160134.9 Ų134.975%0.74875%0.745SS**  trans77.5141.7160.8-97.3172.8-128.800124.9
286N21.8Very low22Very low143 Ų143135.6 Ų135.677%0.76574%0.739SS**  trans59.674.4147.5-68.1-38.1000120.9
287G20.6Very low21.8Very low73 Ų73135.6 Ų135.675%0.75374%0.741SS**  trans-96.4133.8165.900000114.7
288T20.4Very low21.4Very low150 Ų150134.7 Ų134.792%0.9274%0.735SS**  trans-107.196.7170100000111.5G290T288-G290 PolarHBondContact O-N 3.31Å; T288-G290 VanDerWaalsContact O-N 3.12Å
289T24Very low21.3Very low133 Ų133137.9 Ų137.982%0.81675%0.748SS**  trans-83.883.3-174.538.10000113.1F291T289-F291 PolarHBondContact O-N 3.19Å; T289-F291 VanDerWaalsContact O-N 3.08Å
290G21.4Very low21.3Very low74 Ų74137 Ų13776%0.76374%0.743SS**  trans-61.1107.6-178.400000115T288T288-G290 PolarHBondContact O-N 3.31Å; T288-G290 VanDerWaalsContact O-N 3.12Å
291F21.8Very low21.5Very low176 Ų176142 Ų14277%0.77276%0.756SS**  trans-66.3133.5175.4-114-91.9000112.5T289 Q293T289-F291 PolarHBondContact O-N 3.19Å; T289-F291 VanDerWaalsContact O-N 3.08Å; F291-Q293 PolarHBondContact O-N 3.42Å
292K23.3Very low22.2Very low196 Ų196135.3 Ų135.385%0.85275%0.751SS**  trans-74.788.5-176.8-71.1169.6-177.8159.60111.6T294K292-T294 PolarHBondContact O-N 3.5Å; K292-T294 VanDerWaalsContact O-N 3.13Å
293Q20.8Very low22.8Very low163 Ų163129.2 Ų129.276%0.76274%0.744SS**  trans-62.4113.3163.9-71.3-168.50.800110.2F291 I295F291-Q293 PolarHBondContact O-N 3.42Å; Q293-I295 HydrophobicContact CB-CG1 4.05Å; Q293-I295 PolarHBondContact O-N 2.92Å
294T20.1Very low24Very low133 Ų133124.3 Ų124.382%0.81672%0.719SS**  trans-74.969.7170.1-420000109.9K292 E296K292-T294 PolarHBondContact O-N 3.5Å; K292-T294 VanDerWaalsContact O-N 3.13Å; T294-E296 PolarHBondContact O-N 3.26Å
295I21.3Very low25Very low106 Ų106120.3 Ų120.354%0.54470%0.697SS.*  trans-59.7131.2172.3-62.6174.1000108Q293 M297Q293-I295 HydrophobicContact CB-CG1 4.05Å; Q293-I295 PolarHBondContact O-N 2.92Å; I295-M297 PolarHBondContact O-N 2.86Å
296E19.9Very low26.4Very low157 Ų157114.9 Ų114.973%0.73467%0.669SS**  trans-58.2114.2173.6-72.1-175.211200109.5T294 P298T294-E296 PolarHBondContact O-N 3.26Å; E296-P298 VanDerWaalsContact O-CD 3.27Å; E296-P298 WeakPolarHBondContact O-CD 3.47Å
297M18.6Very low27.5Very low148 Ų148111.1 Ų111.173%0.72965%0.645SS**PPolyproline II helixtrans-57.2120.1173.9-79-76.5171.800108.9I295 T299I295-M297 PolarHBondContact O-N 2.86Å; M297-T299 PolarHBondContact O-N 3.45Å; M297-T299 VanDerWaalsContact O-N 3.07Å
298P20.6Very low28.4Very low93 Ų93111.8 Ų111.860%0.60464%0.638SS**PPolyproline II helixtrans-54121.7166.1-21.833.4000107.4E296 T300E296-P298 VanDerWaalsContact O-CD 3.27Å; E296-P298 WeakPolarHBondContact O-CD 3.47Å; P298-T300 PolarHBondContact O-N 3.35Å
299T21.3Very low29.4Very low130 Ų130106.2 Ų106.280%0.79861%0.61SS**PPolyproline II helixtrans-51.4119.1-170.651.70000109.9M297 E301M297-T299 PolarHBondContact O-N 3.45Å; M297-T299 VanDerWaalsContact O-N 3.07Å; T299-E301 PolarHBondContact O-N 3.15Å; T299-E301 VanDerWaalsContact O-N 3.08Å
300T23Very low29.9Very low123 Ų123103.2 Ų103.276%0.75560%0.599SS**PPolyproline II helixtrans-57.4118.2-171.8-9.30000109.4P298 G302 G303P298-T300 PolarHBondContact O-N 3.35Å; T300-G302 PolarHBondContact O-N 3.33Å; T300-G303 PolarHBondContact O-N 3.18Å
301E26.7Very low30.6Very low193 Ų193107.1 Ų107.190%0.90260%0.595SS**THydrogen-bonded Turntrans-62.496.3-173.7-72.2-152.4119.500111.2T299T299-E301 PolarHBondContact O-N 3.15Å; T299-E301 VanDerWaalsContact O-N 3.08Å
302G37Very low31.7Very low63 Ų63103.5 Ų103.565%0.64959%0.589SS**THydrogen-bonded Turntrans148.7-22.8-16900000113.5T300 P304T300-G302 PolarHBondContact O-N 3.33Å; G302-P304 WeakPolarHBondContact O-CD 3.22Å
303G35.6Very low33Very low53 Ų5395.9 Ų95.955%0.54656%0.56SS.*  trans-59.8124.217100000112.4T300T300-G303 PolarHBondContact O-N 3.18Å
304P45.1Very low34.1Very low27 Ų2791.4 Ų91.418%0.17554%0.54CS..  trans-76.2135.5176.5-12.327.2000112.3G302 W306 R307G302-P304 WeakPolarHBondContact O-CD 3.22Å; P304-W306 VanDerWaalsContact C-N 3.26Å; P304-W306 HydrophobicContact CB-CD2 3.91Å; P304-W306 HydrophobicContact CB-CE3 3.74Å; P304-W306 HydrophobicContact CB-CH2 3.25Å; P304-W306 HydrophobicContact CB-CZ2 3.41Å; P304-W306 VanDerWaalsContact CB-CZ2 3.41Å; P304-W306 HydrophobicContact CB-CZ3 3.42Å; P304-W306 VanDerWaalsContact CB-CZ3 3.42Å; P304-W306 HydrophobicContact CG-CH2 3.97Å; P304-W306 HydrophobicContact CG-CZ2 3.93Å; P304-W306 PolarHBondContact O-N 2.53Å; P304-W306 VanDerWaalsContact O-N 3.09Å; P304-R307 HydrophobicContact CB-CG 4.3Å; P304-R307 HydrophobicContact CG-CG 4.36Å; P304-R307 WeakPolarHBondContact O-CB 3.4Å; P304-R307 PolarHBondContact O-N 3.4Å
305S42.2Very low35.7Very low33 Ų3388.1 Ų88.123%0.23152%0.522CS..G310 helixtrans-61.9-25.2-166.955.70000115.1R307 S308 Q318S305-R307 VanDerWaalsContact C-N 3.31Å; S305-S308 PolarHBondContact O-OG 2.75Å; S305-Q318 PolarHBondContact OG-O 3.45Å
306W49.9Very low37.1Very low46 Ų4686.5 Ų86.517%0.17452%0.518CS..G310 helixtrans-77.8-13175.870.185.8000113.6P304 S308 C319 I321 T519 D523P304-W306 VanDerWaalsContact C-N 3.26Å; P304-W306 HydrophobicContact CB-CD2 3.91Å; P304-W306 HydrophobicContact CB-CE3 3.74Å; P304-W306 HydrophobicContact CB-CH2 3.25Å; P304-W306 HydrophobicContact CB-CZ2 3.41Å; P304-W306 VanDerWaalsContact CB-CZ2 3.41Å; P304-W306 HydrophobicContact CB-CZ3 3.42Å; P304-W306 VanDerWaalsContact CB-CZ3 3.42Å; P304-W306 HydrophobicContact CG-CH2 3.97Å; P304-W306 HydrophobicContact CG-CZ2 3.93Å; P304-W306 PolarHBondContact O-N 2.53Å; P304-W306 VanDerWaalsContact O-N 3.09Å; W306-S308 VanDerWaalsContact C-N 3.3Å; W306-C319 HydrophobicContact CB-CB 4.23Å; W306-C319 HydrophobicContact CE3-CB 4.46Å; W306-I321 HydrophobicContact CH2-CB 4.35Å; W306-I321 HydrophobicContact CH2-CG1 3.65Å; W306-I321 HydrophobicContact CZ3-CB 4.38Å; W306-I321 HydrophobicContact CZ3-CG1 3.66Å; W306-T519 HydrophobicContact CD2-CG2 3.58Å; W306-T519 HydrophobicContact CE3-CG2 3.93Å; W306-T519 HydrophobicContact CG-CG2 4.23Å; W306-T519 HydrophobicContact CH2-CG2 3.63Å; W306-T519 HydrophobicContact CZ2-CG2 3.25Å; W306-T519 HydrophobicContact CZ3-CG2 3.95Å; W306-D523 HydrophobicContact CH2-CB 3.77Å; W306-D523 HydrophobicContact CZ2-CB 3.61Å; W306-D523 VanDerWaalsContact CZ2-CG 3.44Å; W306-D523 WeakPolarHBondContact CZ2-OD2 3.2Å
307R44.4Very low38.6Very low64 Ų6480.1 Ų80.124%0.24249%0.491CS..G310 helixtrans-87.94.6178.4-57.7-168-176.1-88.17113.3P304 S305 G309 D523P304-R307 HydrophobicContact CB-CG 4.3Å; P304-R307 HydrophobicContact CG-CG 4.36Å; P304-R307 WeakPolarHBondContact O-CB 3.4Å; P304-R307 PolarHBondContact O-N 3.4Å; S305-R307 VanDerWaalsContact C-N 3.31Å; R307-G309 PolarHBondContact O-N 3.39Å; R307-D523 IonicContact CZ-OD2 2.71Å; R307-D523 IonicContact NE-OD2 3.47Å; R307-D523 PolarHBondContact NE-OD2 2.89Å; R307-D523 IonicContact NH2-OD2 3.53Å; R307-D523 PolarHBondContact NH2-OD2 3.03Å
308S39.7Very low40.1Very low87 Ų8776.8 Ų76.861%0.60847%0.473SS*.SBendtrans-662.3-172.7-50.20000115.6S305 W306 A310S305-S308 PolarHBondContact O-OG 2.75Å; W306-S308 VanDerWaalsContact C-N 3.3Å; S308-A310 PolarHBondContact O-N 3.38Å; S308-A310 VanDerWaalsContact O-N 3.09Å
309G40.6Very low42.3Very low33 Ų3372.5 Ų72.534%0.3445%0.446SS..  trans70.53.7172.600000115.9R307 R373R307-G309 PolarHBondContact O-N 3.39Å; G309-R373 PolarHBondContact O-NH1 3.3Å
310A35.8Very low44.5Very low70 Ų7067.6 Ų67.658%0.57941%0.413SS*.  trans-74.9143.116700000110.5S308S308-A310 PolarHBondContact O-N 3.38Å; S308-A310 VanDerWaalsContact O-N 3.09Å
311F34.7Very low46.9Very low155 Ų15561.8 Ų61.868%0.6838%0.378SS*.SBendtrans-128.1130.8168.3-153.4-84.8000108.1
312P45.7Very low49.2Very low100 Ų10057.6 Ų57.665%0.64935%0.354SS*.SBendcis-62.2156.3-1.529.3-36.7000112.8
313P49.3Very low51Low36 Ų3654.6 Ų54.623%0.23432%0.323CS..PPolyproline II helixtrans-63.3157.4173.529.1-35.4000110.8Q512P313-Q512 HydrophobicContact CG-CG 4.18Å
314L45.6Very low52.6Low69 Ų6955.2 Ų55.236%0.36131%0.313SS..PPolyproline II helixtrans-51.8148171.9-63.4176.4000110.9Q318L314-Q318 HydrophobicContact CB-CB 4.24Å
315P52.4Low53.4Low65 Ų6555.2 Ų55.242%0.42232%0.318SS..PPolyproline II helixtrans-49.9145.6175.2-27.934.7000111.6S317 Q318P315-S317 PolarHBondContact O-N 2.95Å; P315-Q318 PolarHBondContact O-N 3.24Å
316P51.5Low55.1Low72 Ų7253.7 Ų53.747%0.46831%0.308SS..THydrogen-bonded Turntrans-54.8-18.5177.6-28.336.1000114.6L479 A480P316-L479 HydrophobicContact CB-CB 4.46Å; P316-L479 HydrophobicContact CB-CD2 4.07Å; P316-L479 HydrophobicContact CB-CG 4.06Å; P316-A480 PolarHBondContact O-N 3.41Å
317S50.4Low56.4Low23 Ų2351.7 Ų51.716%0.16130%0.3CS..THydrogen-bonded Turntrans-68.9-29.7173.3112.70000113.1P315 F320 H929P315-S317 PolarHBondContact O-N 2.95Å; S317-F320 WeakPolarHBondContact O-CZ 3.41Å; S317-H929 VanDerWaalsContact CA-CE1 3.41Å; S317-H929 WeakPolarHBondContact CA-CE1 3.41Å; S317-H929 WeakPolarHBondContact CB-CE1 3.09Å; S317-H929 WeakPolarHBondContact CB-NE2 3.44Å; S317-H929 PolarHBondContact O-CE1 2.91Å; S317-H929 PolarHBondContact O-NE2 2.89Å; S317-H929 PolarHBondContact OG-CE1 3.17Å; S317-H929 PolarHBondContact OG-NE2 3.45Å
318Q51.3Low57.7Low77 Ų7751.8 Ų51.836%0.3630%0.301SS..THydrogen-bonded Turntrans-103.6-1.5-173.9-58.4-179.10.900113.5S305 L314 P315 F320S305-Q318 PolarHBondContact OG-O 3.45Å; L314-Q318 HydrophobicContact CB-CB 4.24Å; P315-Q318 PolarHBondContact O-N 3.24Å; Q318-F320 VanDerWaalsContact O-CD2 3.24Å; Q318-F320 WeakPolarHBondContact O-CD2 3.46Å
319C66Low59Low4 Ų448.1 Ų48.13%0.02728%0.276CS..  trans-93119.6177.5-59.40000110.6W306 S478 L479W306-C319 HydrophobicContact CB-CB 4.23Å; W306-C319 HydrophobicContact CE3-CB 4.46Å; C319-S478 WeakPolarHBondContact O-CA 3.43Å; C319-L479 HydrophobicContact CB-CB 3.88Å; C319-L479 HydrophobicContact CB-CD2 4.33Å; C319-L479 PolarHBondContact O-N 2.72Å
320F67.1Low59.9Low26 Ų2647.6 Ų47.611%0.11427%0.271CS..EExtended strand (participates in β ladder)trans-136.3120.7-172.1-61.6-79.1000113.6S317 Q318 R476 L477 S927S317-F320 WeakPolarHBondContact O-CZ 3.41Å; Q318-F320 VanDerWaalsContact O-CD2 3.24Å; Q318-F320 WeakPolarHBondContact O-CD2 3.46Å; F320-R476 HydrophobicContact CB-CB 4.34Å; F320-L477 CarbonylContact C-O 3.21Å; F320-L477 WeakPolarHBondContact CA-O 3.13Å; F320-S927 WeakPolarHBondContact CE1-O 3.17Å; F320-S927 WeakPolarHBondContact CE1-OG 3.34Å
321I73.8Confident61.3Low2 Ų253.5 Ų53.51%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-85.2121.3176.2-52.4164000107.3W306 F468 R476 L477 L482 T519 L522 D523W306-I321 HydrophobicContact CH2-CB 4.35Å; W306-I321 HydrophobicContact CH2-CG1 3.65Å; W306-I321 HydrophobicContact CZ3-CB 4.38Å; W306-I321 HydrophobicContact CZ3-CG1 3.66Å; I321-F468 HydrophobicContact CG2-CE2 3.96Å; I321-F468 HydrophobicContact CG2-CZ 3.88Å; I321-R476 CarbonylContact O-C 3.47Å; I321-R476 VanDerWaalsContact O-CA 3.27Å; I321-R476 WeakPolarHBondContact O-CA 3.35Å; I321-L477 PolarHBondContact N-O 3.45Å; I321-L477 PolarHBondContact O-N 3.47Å; I321-L482 HydrophobicContact CD1-CD2 4.14Å; I321-T519 HydrophobicContact CD1-CG2 4.07Å; I321-T519 HydrophobicContact CG1-CG2 4.15Å; I321-L522 HydrophobicContact CD1-CB 4.11Å; I321-L522 HydrophobicContact CD1-CD2 3.73Å; I321-L522 HydrophobicContact CD1-CG 4.42Å; I321-L522 HydrophobicContact CG2-CD2 4.25Å; I321-D523 HydrophobicContact CG2-CB 4.38Å
322R74.9Confident63.4Low105 Ų10547 Ų4740%0.39626%0.255SS..EExtended strand (participates in β ladder)trans-94.6136.3-173-55.2-171.4-173.4-1654.5111.3L324 G325 R476R322-L324 HydrophobicContact CB-CB 4.41Å; R322-L324 PolarHBondContact O-N 2.97Å; R322-G325 PolarHBondContact O-N 2.86Å; R322-R476 HydrophobicContact CG-CG 4.29Å
323T74.1Confident65.2Low0 Ų044.2 Ų44.20%024%0.235CC..G310 helixtrans-58.2-34.6173.2-44.70000112G325 F326 G472 E475 I546T323-G325 PolarHBondContact O-N 3.12Å; T323-F326 HydrophobicContact CG2-CE1 3.5Å; T323-F326 VanDerWaalsContact CG2-CE1 3.5Å; T323-F326 HydrophobicContact CG2-CE2 4.27Å; T323-F326 HydrophobicContact CG2-CZ 3.33Å; T323-F326 VanDerWaalsContact O-CD1 3.25Å; T323-F326 WeakPolarHBondContact O-CD1 3.38Å; T323-F326 WeakPolarHBondContact O-CE1 3.4Å; T323-F326 PolarHBondContact O-N 3.45Å; T323-G472 WeakPolarHBondContact CB-O 3.23Å; T323-G472 WeakPolarHBondContact CG2-O 3.08Å; T323-G472 PolarHBondContact OG1-O 3.5Å; T323-E475 PolarHBondContact N-O 3.3Å; T323-E475 VanDerWaalsContact N-O 3.15Å; T323-E475 PolarHBondContact OG1-O 3.1Å; T323-I546 HydrophobicContact CG2-CD1 3.51Å
324L70.5Confident66.7Low65 Ų6550.8 Ų50.834%0.3426%0.262SS..G310 helixtrans-51.5-24.8171.5-61.6177.4000114R322 F326 L327 K473R322-L324 HydrophobicContact CB-CB 4.41Å; R322-L324 PolarHBondContact O-N 2.97Å; L324-F326 VanDerWaalsContact C-N 3.26Å; L324-F326 PolarHBondContact O-N 3.06Å; L324-L327 HydrophobicContact CD2-CD1 3.68Å; L324-L327 PolarHBondContact O-N 3.2Å; L324-L327 VanDerWaalsContact O-N 3.14Å; L324-K473 HydrophobicContact CD2-CG 3.75Å; L324-K473 WeakPolarHBondContact CD2-O 3.21Å; L324-K473 WeakPolarHBondContact CG-O 3.21Å
325G61.6Low68.3Low28 Ų2850 Ų5029%0.28926%0.263SS..G310 helixtrans-59.1-31.8-177.300000113.8R322 T323 R531R322-G325 PolarHBondContact O-N 2.86Å; T323-G325 PolarHBondContact O-N 3.12Å; G325-R531 VanDerWaalsContact O-CD 3.32Å; G325-R531 WeakPolarHBondContact O-CD 3.44Å; G325-R531 PolarHBondContact O-NH1 3.36Å
326F78.4Confident69.9Low1 Ų147 Ų470%0.00424%0.243CC..G310 helixtrans-93.6-4.9177.859.7-103.2000115T323 L324 F468 V527 V530 R531 A536 I546 F548T323-F326 HydrophobicContact CG2-CE1 3.5Å; T323-F326 VanDerWaalsContact CG2-CE1 3.5Å; T323-F326 HydrophobicContact CG2-CE2 4.27Å; T323-F326 HydrophobicContact CG2-CZ 3.33Å; T323-F326 VanDerWaalsContact O-CD1 3.25Å; T323-F326 WeakPolarHBondContact O-CD1 3.38Å; T323-F326 WeakPolarHBondContact O-CE1 3.4Å; T323-F326 PolarHBondContact O-N 3.45Å; L324-F326 VanDerWaalsContact C-N 3.26Å; L324-F326 PolarHBondContact O-N 3.06Å; F326-F468 AromaticContact CD1-CE1 3.76Å; F326-F468 HydrophobicContact CD1-CE1 3.76Å; F326-F468 HydrophobicContact CD1-CZ 4.03Å; F326-F468 HydrophobicContact CE1-CD1 4.3Å; F326-F468 AromaticContact CE1-CE1 3.68Å; F326-F468 HydrophobicContact CE1-CE1 3.68Å; F326-F468 AromaticContact CE1-CZ 3.93Å; F326-F468 HydrophobicContact CE1-CZ 3.93Å; F326-V527 HydrophobicContact CB-CG1 4.1Å; F326-V527 HydrophobicContact CB-CG2 4.41Å; F326-V527 HydrophobicContact CD1-CG2 4.19Å; F326-V530 HydrophobicContact CB-CB 4.41Å; F326-V530 HydrophobicContact CB-CG1 4.05Å; F326-V530 HydrophobicContact CD2-CG1 4.27Å; F326-V530 HydrophobicContact CG-CG1 4.36Å; F326-R531 HydrophobicContact CB-CG 4.29Å; F326-A536 HydrophobicContact CD2-CB 3.75Å; F326-A536 HydrophobicContact CE2-CB 4.23Å; F326-I546 HydrophobicContact CE2-CD1 3.7Å; F326-I546 HydrophobicContact CE2-CG2 4.2Å; F326-I546 HydrophobicContact CZ-CD1 3.79Å; F326-F548 AromaticContact CD2-CE1 3.72Å; F326-F548 HydrophobicContact CD2-CE1 3.72Å; F326-F548 HydrophobicContact CD2-CZ 4.24Å; F326-F548 AromaticContact CE2-CE1 3.4Å; F326-F548 HydrophobicContact CE2-CE1 3.4Å; F326-F548 AromaticContact CE2-CZ 3.45Å; F326-F548 HydrophobicContact CE2-CZ 3.45Å; F326-F548 VanDerWaalsContact CE2-CZ 3.45Å; F326-F548 HydrophobicContact CZ-CE1 4.23Å; F326-F548 AromaticContact CZ-CZ 3.93Å; F326-F548 HydrophobicContact CZ-CZ 3.93Å
327L76Confident71.6Confident3 Ų344.4 Ų44.42%0.01623%0.225CC..BIsolated β-bridgetrans-70.3146.8179.5-65.7-175.9000112.7L324 G329 K473 R531 A536 I546L324-L327 HydrophobicContact CD2-CD1 3.68Å; L324-L327 PolarHBondContact O-N 3.2Å; L324-L327 VanDerWaalsContact O-N 3.14Å; L327-G329 VanDerWaalsContact C-N 3.28Å; L327-G329 PolarHBondContact O-N 3.5Å; L327-K473 HydrophobicContact CD1-CD 4.19Å; L327-K473 HydrophobicContact CD1-CG 4.05Å; L327-R531 PolarHBondContact O-NH1 3.23Å; L327-A536 HydrophobicContact CD2-CB 3.95Å; L327-A536 WeakPolarHBondContact CD2-O 3.37Å; L327-I546 HydrophobicContact CD2-CD1 4.15Å; L327-I546 HydrophobicContact CD2-CG1 4.41Å; L327-I546 HydrophobicContact CD2-CG2 3.83Å
328Y73.3Confident73.4Confident67 Ų6743.8 Ų43.826%0.26322%0.22SC..THydrogen-bonded Turntrans55.643174.7-23.4-50.4000112.3K473 R531 Y535 A536 E538Y328-K473 PolarHBondContact OH-NZ 3.47Å; Y328-R531 PolarHBondContact O-NH2 3.31Å; Y328-R531 VanDerWaalsContact O-NH2 3.16Å; Y328-Y535 HydrophobicContact CD1-CE1 4.46Å; Y328-A536 PolarHBondContact N-O 2.96Å; Y328-A536 VanDerWaalsContact N-O 3.08Å; Y328-E538 PolarHBondContact OH-OE2 3.13Å
329G65.1Low75.2Confident9 Ų943.8 Ų43.89%0.09322%0.222CC..  trans-75.3-155162.400000112.2L327 Y535L327-G329 VanDerWaalsContact C-N 3.28Å; L327-G329 PolarHBondContact O-N 3.5Å; G329-Y535 WeakPolarHBondContact O-CD2 3.25Å; G329-Y535 WeakPolarHBondContact O-CE2 3.4Å
330G60.7Low76.2Confident22 Ų2248.9 Ų48.923%0.22724%0.241CC..  trans96.164.7-18000000113.4R531G330-R531 PolarHBondContact N-O 2.66Å
331R64.3Low77.2Confident194 Ų19453.6 Ų53.673%0.73226%0.261SS*.SBendtrans-135.525.8169.8-65.2-165.2-171.9-1536.9112.8
332G79Confident77.8Confident19 Ų1954.4 Ų54.420%0.19626%0.264CS..THydrogen-bonded Turntrans63.4176.7-178.400000114.8H334 S335 A532G332-H334 PolarHBondContact O-N 3.04Å; G332-S335 PolarHBondContact O-N 2.98Å; G332-S335 VanDerWaalsContact O-N 3.11Å; G332-S335 PolarHBondContact O-OG 3.35Å; G332-A532 CarbonylContact C-O 3.29Å; G332-A532 WeakPolarHBondContact CA-O 3.21Å; G332-A532 PolarHBondContact N-O 3.24Å
333L83.8Confident78.2Confident42 Ų4255.8 Ų55.822%0.2227%0.274CS..G310 helixtrans-63.9-20.5179.5-76162000113.8S335 F336 N339 Y401 L529 A532L333-S335 PolarHBondContact O-N 2.84Å; L333-F336 WeakPolarHBondContact O-CB 3.42Å; L333-F336 PolarHBondContact O-N 2.87Å; L333-N339 PolarHBondContact O-ND2 2.75Å; L333-Y401 HydrophobicContact CD1-CD2 4.44Å; L333-Y401 HydrophobicContact CD1-CG 4.18Å; L333-Y401 HydrophobicContact CD2-CD1 4.45Å; L333-Y401 HydrophobicContact CD2-CD2 4.48Å; L333-Y401 HydrophobicContact CD2-CG 4.25Å; L333-L529 HydrophobicContact CD2-CD1 3.96Å; L333-A532 HydrophobicContact CD2-CB 4.2Å
334H80.6Confident78.3Confident174 Ų17458.3 Ų58.381%0.80629%0.291SS*.G310 helixtrans-61.6-26.6172.7-59.8-75000113G332 F336G332-H334 PolarHBondContact O-N 3.04Å; H334-F336 VanDerWaalsContact C-N 3.34Å
335S79.8Confident78.3Confident53 Ų5362.2 Ų62.237%0.37132%0.317SS..G310 helixtrans-82.1-10.917671.80000114.1G332 L333G332-S335 PolarHBondContact O-N 2.98Å; G332-S335 VanDerWaalsContact O-N 3.11Å; G332-S335 PolarHBondContact O-OG 3.35Å; L333-S335 PolarHBondContact O-N 2.84Å
336F86.6Confident78.6Confident2 Ų267.7 Ų67.71%0.00934%0.34CS..SBendtrans-68.6143.9-177.2-177.2-125.8000112.1L333 H334 L338 N339 R340 H396 F525 G528 L529 A532L333-F336 WeakPolarHBondContact O-CB 3.42Å; L333-F336 PolarHBondContact O-N 2.87Å; H334-F336 VanDerWaalsContact C-N 3.34Å; F336-L338 VanDerWaalsContact C-N 3.34Å; F336-L338 HydrophobicContact CD1-CB 4.06Å; F336-L338 HydrophobicContact CE1-CB 3.81Å; F336-L338 HydrophobicContact CE1-CD1 3.94Å; F336-L338 HydrophobicContact CE1-CG 3.85Å; F336-L338 HydrophobicContact CZ-CD1 4.37Å; F336-L338 HydrophobicContact CZ-CG 4.29Å; F336-L338 PolarHBondContact O-N 2.78Å; F336-N339 PolarHBondContact O-N 2.73Å; F336-R340 PolarHBondContact O-N 3.22Å; F336-H396 AromaticContact CD1-CE1 3.67Å; F336-H396 AromaticContact CE1-CE1 3.64Å; F336-F525 HydrophobicContact CE1-CD2 4.42Å; F336-F525 HydrophobicContact CE1-CE2 4.38Å; F336-F525 WeakPolarHBondContact CE2-O 3.45Å; F336-F525 AromaticContact CZ-CD2 3.68Å; F336-F525 HydrophobicContact CZ-CD2 3.68Å; F336-F525 AromaticContact CZ-CE2 3.98Å; F336-F525 HydrophobicContact CZ-CE2 3.98Å; F336-F525 HydrophobicContact CZ-CG 4.11Å; F336-G528 VanDerWaalsContact CD2-C 3.47Å; F336-L529 HydrophobicContact CD2-CB 4.49Å; F336-L529 HydrophobicContact CE2-CB 3.99Å; F336-L529 HydrophobicContact CZ-CB 4.45Å; F336-A532 HydrophobicContact CB-CB 4.19Å
337L86.3Confident78.6Confident17 Ų1769.2 Ų69.29%0.08936%0.356CS..G310 helixtrans-54.2-45-171.2178.755.1000113.5N339 R340 V359 L365 L368L337-N339 PolarHBondContact O-N 2.98Å; L337-R340 PolarHBondContact O-N 3.22Å; L337-V359 HydrophobicContact CD1-CG1 4.42Å; L337-V359 HydrophobicContact CD2-CG1 4.44Å; L337-L365 HydrophobicContact CD1-CD2 3.39Å; L337-L365 HydrophobicContact CD2-CD2 4.46Å; L337-L368 HydrophobicContact CD1-CD1 4.32Å
338L88.2Confident79Confident10 Ų1072.2 Ų72.25%0.05238%0.378CS..G310 helixtrans-72.3-15.9-177.3-62.3-175.5000113.9F336 L356 L392 L393 H396 W520 F525F336-L338 VanDerWaalsContact C-N 3.34Å; F336-L338 HydrophobicContact CD1-CB 4.06Å; F336-L338 HydrophobicContact CE1-CB 3.81Å; F336-L338 HydrophobicContact CE1-CD1 3.94Å; F336-L338 HydrophobicContact CE1-CG 3.85Å; F336-L338 HydrophobicContact CZ-CD1 4.37Å; F336-L338 HydrophobicContact CZ-CG 4.29Å; F336-L338 PolarHBondContact O-N 2.78Å; L338-L356 HydrophobicContact CD2-CD1 3.79Å; L338-L356 HydrophobicContact CD2-CD2 3.86Å; L338-L392 HydrophobicContact CD1-CD2 3.88Å; L338-L393 HydrophobicContact CD2-CD2 4.02Å; L338-H396 VanDerWaalsContact CB-CD2 3.41Å; L338-H396 WeakPolarHBondContact CB-CD2 3.44Å; L338-H396 VanDerWaalsContact CB-NE2 3.32Å; L338-H396 WeakPolarHBondContact CB-NE2 3.47Å; L338-H396 HydrophobicContact CD1-CB 4.09Å; L338-W520 HydrophobicContact CD2-CZ2 3.98Å; L338-F525 HydrophobicContact CD1-CD2 4.04Å; L338-F525 HydrophobicContact CD1-CE2 4.09Å
339N89.3Confident79.7Confident77 Ų7773 Ų7341%0.41238%0.38SS..G310 helixtrans-90.5-7175.2-78.2-40.7000113.5L333 F336 L337 H396L333-N339 PolarHBondContact O-ND2 2.75Å; F336-N339 PolarHBondContact O-N 2.73Å; L337-N339 PolarHBondContact O-N 2.98Å; N339-H396 PolarHBondContact OD1-NE2 3.47Å
340R87.4Confident80.8Confident111 Ų11181.1 Ų81.142%0.41941%0.408SS..PPolyproline II helixtrans-71.2146.8177.5-57-171.575.5-176.91.4110.7F336 L337 L351 L368F336-R340 PolarHBondContact O-N 3.22Å; L337-R340 PolarHBondContact O-N 3.22Å; R340-L351 WeakPolarHBondContact O-CG 3.49Å; R340-L368 HydrophobicContact CB-CD1 4.05Å
341K87Confident82.2Confident124 Ų12480.4 Ų80.454%0.53940%0.399SS..PPolyproline II helixtrans-90.4149.4174.5-65.5175169.7-165.20110.4S348 R349K341-S348 WeakPolarHBondContact CD-O 3.35Å; K341-R349 CarbonylContact C-O 3.59Å; K341-R349 WeakPolarHBondContact CA-O 3.42Å; K341-R349 VanDerWaalsContact CB-O 3.3Å; K341-R349 WeakPolarHBondContact CB-O 3.33Å
342K86.4Confident83.5Confident19 Ų1976 Ų768%0.08339%0.386CS..EExtended strand (participates in β ladder)trans-84.5135.8163.4-164.2-159.1179-177.50107.9R349 L351 Y367 E372K342-R349 PolarHBondContact N-O 3.14Å; K342-R349 PolarHBondContact O-N 3.48Å; K342-L351 HydrophobicContact CB-CD2 4.36Å; K342-Y367 HydrophobicContact CD-CD1 4.37Å; K342-Y367 HydrophobicContact CD-CE1 3.85Å; K342-Y367 VanDerWaalsContact CE-O 3.27Å; K342-Y367 WeakPolarHBondContact CE-O 3.42Å; K342-Y367 VanDerWaalsContact NZ-CZ 3.26Å; K342-Y367 PolarHBondContact NZ-OH 3.48Å; K342-E372 IonicContact NZ-OE1 2.69Å; K342-E372 PolarHBondContact NZ-OE1 3.29Å
343K84.1Confident84.1Confident135 Ų13575 Ų7559%0.58738%0.377SS*.EExtended strand (participates in β ladder)trans-71.2134.8164.7-67.3-168.2172.6-1650110.2L368K343-L368 PolarHBondContact N-O 3.09Å
344S75.8Confident84.5Confident53 Ų5378.6 Ų78.637%0.37139%0.39SS..EExtended strand (participates in β ladder)trans-116.9175.2167-1550000107.9D346 G347S344-D346 VanDerWaalsContact C-N 3.29Å; S344-D346 WeakPolarHBondContact CB-OD2 3.29Å; S344-D346 PolarHBondContact OG-OD2 3.28Å; S344-G347 WeakPolarHBondContact CA-O 3.2Å; S344-G347 WeakPolarHBondContact CB-O 3.41Å; S344-G347 PolarHBondContact N-O 3.41Å
345V70.3Confident85Confident147 Ų14770.3 Ų70.389%0.89135%0.352SS*.THydrogen-bonded Turntrans-62.2-45.5168.2-176.20000109.2G347V345-G347 PolarHBondContact O-N 3.28Å
346D67.9Low85.6Confident142 Ų14267.8 Ų67.876%0.75933%0.334SS*.THydrogen-bonded Turntrans-79.328.2179.9-0.2-93.7000112.8S344S344-D346 VanDerWaalsContact C-N 3.29Å; S344-D346 WeakPolarHBondContact CB-OD2 3.29Å; S344-D346 PolarHBondContact OG-OD2 3.28Å
347G79.1Confident85.9Confident34 Ų3467.7 Ų67.735%0.35133%0.334SS..EExtended strand (participates in β ladder)trans89.5-150.8176.800000115.3S344 V345S344-G347 WeakPolarHBondContact CA-O 3.2Å; S344-G347 WeakPolarHBondContact CB-O 3.41Å; S344-G347 PolarHBondContact N-O 3.41Å; V345-G347 PolarHBondContact O-N 3.28Å
348S83.7Confident86Confident66 Ų6667.2 Ų67.246%0.46233%0.331SS..EExtended strand (participates in β ladder)trans-112.7104.1-162.4-65.50000113.9K341K341-S348 WeakPolarHBondContact CD-O 3.35Å
349R88.4Confident86Confident82 Ų8266.8 Ų66.831%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-99.4156.1-178.268.4171.9-175.675.5-2.4114.2K341 K342 D355K341-R349 CarbonylContact C-O 3.59Å; K341-R349 WeakPolarHBondContact CA-O 3.42Å; K341-R349 VanDerWaalsContact CB-O 3.3Å; K341-R349 WeakPolarHBondContact CB-O 3.33Å; K342-R349 PolarHBondContact N-O 3.14Å; K342-R349 PolarHBondContact O-N 3.48Å; R349-D355 IonicContact CZ-OD1 3.28Å; R349-D355 IonicContact CZ-OD2 2.74Å; R349-D355 IonicContact NH1-OD1 3.6Å; R349-D355 IonicContact NH1-OD2 2.68Å; R349-D355 PolarHBondContact NH1-OD2 3.22Å; R349-D355 IonicContact NH2-OD1 3.43Å; R349-D355 PolarHBondContact NH2-OD1 3.05Å; R349-D355 IonicContact NH2-OD2 2.64Å; R349-D355 PolarHBondContact NH2-OD2 2.92Å
350R87.3Confident86Confident181 Ų18163.7 Ų63.768%0.68331%0.313SS*.PPolyproline II helixtrans-68.9157.7173.6-69.9-179.1174.2172.7-2.2111.4
351L90.3Very high86Confident6 Ų659 Ų593%0.03130%0.296CS..PPolyproline II helixtrans-71.2142.4177.5-50.6180000112.1R340 K342 D355 L368 L393R340-L351 WeakPolarHBondContact O-CG 3.49Å; K342-L351 HydrophobicContact CB-CD2 4.36Å; L351-D355 HydrophobicContact CD2-CB 4.32Å; L351-L368 HydrophobicContact CD2-CD2 3.54Å; L351-L393 HydrophobicContact CB-CD1 4.35Å; L351-L393 HydrophobicContact CB-CD2 4.47Å
352Q92.1Very high85.9Confident101 Ų10155.8 Ų55.847%0.47228%0.282SS..  trans-114.3169.1167.5-55.8-66.69.900110K354 D355 L356Q352-K354 VanDerWaalsContact C-N 3.26Å; Q352-K354 PolarHBondContact O-N 3.1Å; Q352-D355 WeakPolarHBondContact CB-OD2 3.44Å; Q352-D355 PolarHBondContact N-OD2 3.01Å; Q352-D355 WeakPolarHBondContact O-CB 3.41Å; Q352-D355 PolarHBondContact O-N 3.29Å; Q352-L356 PolarHBondContact O-N 2.7Å; Q352-L356 VanDerWaalsContact O-N 3.11Å
353G91.6Very high85.8Confident0 Ų055.7 Ų55.70%028%0.281CS..Hα-helixtrans-55.2-38.5-176.600000114D355 L356 I357 S390G353-D355 VanDerWaalsContact C-N 3.34Å; G353-D355 PolarHBondContact O-N 3Å; G353-L356 PolarHBondContact O-N 3.45Å; G353-I357 WeakPolarHBondContact O-CD1 3.41Å; G353-I357 WeakPolarHBondContact O-CG1 3.18Å; G353-I357 PolarHBondContact O-N 3.35Å; G353-S390 WeakPolarHBondContact CA-OG 3.47Å; G353-S390 PolarHBondContact N-OG 2.93Å
354K91.9Very high85.8Confident116 Ų11649.8 Ų49.850%0.50426%0.259SS..Hα-helixtrans-62.4-36.7175.269.6-179.7-177.5-178.60113.4Q352 R358 L378 V386Q352-K354 VanDerWaalsContact C-N 3.26Å; Q352-K354 PolarHBondContact O-N 3.1Å; K354-R358 WeakPolarHBondContact O-CG 3.49Å; K354-R358 PolarHBondContact O-N 3.42Å; K354-L378 HydrophobicContact CB-CD1 4.25Å; K354-V386 HydrophobicContact CB-CG2 4.4Å
355D91.8Very high86Confident0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-72.7-37.7178.5-50.2-61.3000110.7R349 L351 Q352 G353 R358 V359 Y367R349-D355 IonicContact CZ-OD1 3.28Å; R349-D355 IonicContact CZ-OD2 2.74Å; R349-D355 IonicContact NH1-OD1 3.6Å; R349-D355 IonicContact NH1-OD2 2.68Å; R349-D355 PolarHBondContact NH1-OD2 3.22Å; R349-D355 IonicContact NH2-OD1 3.43Å; R349-D355 PolarHBondContact NH2-OD1 3.05Å; R349-D355 IonicContact NH2-OD2 2.64Å; R349-D355 PolarHBondContact NH2-OD2 2.92Å; L351-D355 HydrophobicContact CD2-CB 4.32Å; Q352-D355 WeakPolarHBondContact CB-OD2 3.44Å; Q352-D355 PolarHBondContact N-OD2 3.01Å; Q352-D355 WeakPolarHBondContact O-CB 3.41Å; Q352-D355 PolarHBondContact O-N 3.29Å; G353-D355 VanDerWaalsContact C-N 3.34Å; G353-D355 PolarHBondContact O-N 3Å; D355-R358 WeakPolarHBondContact O-CB 3.38Å; D355-R358 PolarHBondContact O-N 2.84Å; D355-V359 WeakPolarHBondContact O-CG2 3.41Å; D355-V359 PolarHBondContact O-N 3.41Å; D355-Y367 HydrophobicContact CB-CD1 4.38Å; D355-Y367 HydrophobicContact CB-CE1 3.89Å
356L92.1Very high86.5Confident0 Ų048.3 Ų48.30%024%0.24CC..Hα-helixtrans-68-40.2177.8-174.654.8000111.4L338 Q352 G353 R358 V359 V360 F389 L392 L393 W520L338-L356 HydrophobicContact CD2-CD1 3.79Å; L338-L356 HydrophobicContact CD2-CD2 3.86Å; Q352-L356 PolarHBondContact O-N 2.7Å; Q352-L356 VanDerWaalsContact O-N 3.11Å; G353-L356 PolarHBondContact O-N 3.45Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 3.02Å; L356-V359 CarbonylContact O-C 3.57Å; L356-V359 PolarHBondContact O-N 2.81Å; L356-V359 VanDerWaalsContact O-N 3.14Å; L356-V360 HydrophobicContact CD1-CG2 4.08Å; L356-V360 HydrophobicContact CG-CG2 4.26Å; L356-V360 WeakPolarHBondContact O-CG2 3.46Å; L356-V360 PolarHBondContact O-N 3.07Å; L356-F389 HydrophobicContact CB-CD1 4.45Å; L356-F389 HydrophobicContact CD2-CD1 3.83Å; L356-F389 HydrophobicContact CG-CD1 3.89Å; L356-L392 HydrophobicContact CD2-CD2 3.92Å; L356-L393 HydrophobicContact CB-CD1 4.2Å; L356-L393 HydrophobicContact CD2-CD1 4.23Å; L356-L393 HydrophobicContact CD2-CD2 4.06Å; L356-L393 HydrophobicContact CD2-CG 3.94Å; L356-W520 HydrophobicContact CD1-CZ2 3.8Å; L356-W520 HydrophobicContact CD2-CH2 4.48Å; L356-W520 HydrophobicContact CD2-CZ2 4.46Å
357I92.1Very high87.3Confident0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-57.8-42.2173.4-74.7161.5000111.4G353 V360 F361 F362 L378 F382 M385 V386 F389G353-I357 WeakPolarHBondContact O-CD1 3.41Å; G353-I357 WeakPolarHBondContact O-CG1 3.18Å; G353-I357 PolarHBondContact O-N 3.35Å; I357-V360 PolarHBondContact O-N 3.22Å; I357-F361 HydrophobicContact CB-CD2 4.39Å; I357-F361 HydrophobicContact CG1-CE2 4.4Å; I357-F361 HydrophobicContact CG2-CD2 3.98Å; I357-F361 WeakPolarHBondContact O-CD2 3.39Å; I357-F361 PolarHBondContact O-N 2.75Å; I357-F362 HydrophobicContact CG2-CD2 4.5Å; I357-F362 HydrophobicContact CG2-CE2 4.17Å; I357-L378 HydrophobicContact CG2-CD1 4.1Å; I357-L378 HydrophobicContact CG2-CD2 3.84Å; I357-F382 HydrophobicContact CG2-CB 4.16Å; I357-F382 HydrophobicContact CG2-CD1 4.26Å; I357-M385 HydrophobicContact CD1-CB 3.85Å; I357-V386 HydrophobicContact CD1-CB 4.32Å; I357-V386 HydrophobicContact CD1-CG2 3.7Å; I357-F389 HydrophobicContact CD1-CB 4.15Å; I357-F389 HydrophobicContact CD1-CD2 3.87Å; I357-F389 HydrophobicContact CD1-CG 4.13Å; I357-F389 HydrophobicContact CG1-CB 4.14Å; I357-F389 HydrophobicContact CG1-CD1 4.28Å; I357-F389 HydrophobicContact CG1-CD2 3.67Å; I357-F389 HydrophobicContact CG1-CE2 4.14Å; I357-F389 HydrophobicContact CG1-CG 3.75Å
358R89.4Confident87.4Confident7 Ų740.8 Ų40.83%0.02619%0.191CC..Hα-helixtrans-60-46.1172.9-70.7-83.7170.2-175.2-8112.4K354 D355 L356 V360 F362 E363 G364 Y367 R373 P375 K376 K377K354-R358 WeakPolarHBondContact O-CG 3.49Å; K354-R358 PolarHBondContact O-N 3.42Å; D355-R358 WeakPolarHBondContact O-CB 3.38Å; D355-R358 PolarHBondContact O-N 2.84Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 3.02Å; R358-V360 VanDerWaalsContact C-N 3.3Å; R358-V360 PolarHBondContact O-N 3.11Å; R358-F362 CarbonylContact O-C 3.38Å; R358-F362 WeakPolarHBondContact O-CA 3.4Å; R358-F362 PolarHBondContact O-N 2.91Å; R358-E363 WeakPolarHBondContact CB-OE2 3.45Å; R358-E363 WeakPolarHBondContact CD-OE1 3.4Å; R358-E363 WeakPolarHBondContact CD-OE2 3.4Å; R358-E363 IonicContact CZ-OE1 3.2Å; R358-E363 IonicContact NE-OE1 2.67Å; R358-E363 IonicContact NH1-OE1 2.81Å; R358-E363 PolarHBondContact NH1-OE1 3.4Å; R358-E363 IonicContact NH1-OE2 2.76Å; R358-E363 PolarHBondContact O-N 3.39Å; R358-E363 VanDerWaalsContact O-N 3.14Å; R358-G364 PolarHBondContact O-N 3.22Å; R358-Y367 HydrophobicContact CB-CD1 3.71Å; R358-Y367 HydrophobicContact CB-CD2 3.68Å; R358-Y367 HydrophobicContact CB-CE1 3.85Å; R358-Y367 HydrophobicContact CB-CE2 3.82Å; R358-Y367 HydrophobicContact CB-CG 3.65Å; R358-Y367 HydrophobicContact CG-CD1 4.45Å; R358-Y367 HydrophobicContact CG-CD2 4.07Å; R358-Y367 HydrophobicContact CG-CE1 4.11Å; R358-Y367 HydrophobicContact CG-CE2 3.7Å; R358-Y367 HydrophobicContact CG-CG 4.46Å; R358-R373 PolarHBondContact NH1-O 3.09Å; R358-P375 PolarHBondContact NH1-O 3.35Å; R358-P375 PolarHBondContact NH2-O 2.72Å; R358-K376 PolarHBondContact NH2-O 3.26Å; R358-K377 PolarHBondContact NH2-O 3.45Å
359V88.5Confident87.4Confident1 Ų142.4 Ų42.41%0.00619%0.194CC..Hα-helixtrans-67.3-24.7177.7172.50000113.7L337 D355 L356 G364 L365 Y367 L368L337-V359 HydrophobicContact CD1-CG1 4.42Å; L337-V359 HydrophobicContact CD2-CG1 4.44Å; D355-V359 WeakPolarHBondContact O-CG2 3.41Å; D355-V359 PolarHBondContact O-N 3.41Å; L356-V359 CarbonylContact O-C 3.57Å; L356-V359 PolarHBondContact O-N 2.81Å; L356-V359 VanDerWaalsContact O-N 3.14Å; V359-G364 WeakPolarHBondContact O-CA 3.25Å; V359-L365 HydrophobicContact CG1-CD2 4.45Å; V359-Y367 HydrophobicContact CG2-CD1 4.22Å; V359-L368 HydrophobicContact CG2-CD2 3.84Å; V359-L368 HydrophobicContact CG2-CG 4.22Å
360V88.1Confident87Confident13 Ų1340.6 Ų40.68%0.07920%0.201CC..Hα-helixtrans-88.8-49.4179.6177.10000112.1L356 I357 R358 F389 W520L356-V360 HydrophobicContact CD1-CG2 4.08Å; L356-V360 HydrophobicContact CG-CG2 4.26Å; L356-V360 WeakPolarHBondContact O-CG2 3.46Å; L356-V360 PolarHBondContact O-N 3.07Å; I357-V360 PolarHBondContact O-N 3.22Å; R358-V360 VanDerWaalsContact C-N 3.3Å; R358-V360 PolarHBondContact O-N 3.11Å; V360-F389 HydrophobicContact CG2-CE1 4.24Å; V360-W520 HydrophobicContact CB-CG 4.4Å; V360-W520 HydrophobicContact CG1-CB 4.04Å; V360-W520 HydrophobicContact CG1-CG 4.19Å; V360-W520 HydrophobicContact CG2-CB 4.41Å; V360-W520 HydrophobicContact CG2-CD2 3.65Å; V360-W520 HydrophobicContact CG2-CE3 4.19Å; V360-W520 HydrophobicContact CG2-CG 3.69Å
361F87.8Confident86.5Confident12 Ų1234.4 Ų34.45%0.05319%0.186CC..Hα-helixtrans-111.3-16-165.1-53.8-74.8000115I357 F382 M385 F389 W493 I513 Q516 F517I357-F361 HydrophobicContact CB-CD2 4.39Å; I357-F361 HydrophobicContact CG1-CE2 4.4Å; I357-F361 HydrophobicContact CG2-CD2 3.98Å; I357-F361 WeakPolarHBondContact O-CD2 3.39Å; I357-F361 PolarHBondContact O-N 2.75Å; F361-F382 HydrophobicContact CB-CD1 4.41Å; F361-F382 HydrophobicContact CB-CE1 3.83Å; F361-F382 HydrophobicContact CD1-CE1 4.02Å; F361-F382 AromaticContact CD2-CD1 3.97Å; F361-F382 HydrophobicContact CD2-CD1 3.97Å; F361-F382 AromaticContact CD2-CE1 3.92Å; F361-F382 HydrophobicContact CD2-CE1 3.92Å; F361-F382 HydrophobicContact CE2-CD1 4.44Å; F361-F382 HydrophobicContact CE2-CE1 4.48Å; F361-F382 HydrophobicContact CG-CD1 4.18Å; F361-F382 AromaticContact CG-CE1 3.67Å; F361-F382 HydrophobicContact CG-CE1 3.67Å; F361-M385 HydrophobicContact CE2-SD 4.26Å; F361-M385 HydrophobicContact CZ-SD 4.46Å; F361-F389 HydrophobicContact CE2-CE1 4.39Å; F361-F389 HydrophobicContact CE2-CE2 4.04Å; F361-F389 AromaticContact CE2-CZ 3.68Å; F361-F389 HydrophobicContact CE2-CZ 3.68Å; F361-F389 HydrophobicContact CZ-CE2 4.35Å; F361-F389 AromaticContact CZ-CZ 3.84Å; F361-F389 HydrophobicContact CZ-CZ 3.84Å; F361-W493 HydrophobicContact CZ-CH2 4.17Å; F361-W493 AromaticContact CZ-CZ3 3.99Å; F361-W493 HydrophobicContact CZ-CZ3 3.99Å; F361-I513 HydrophobicContact CD1-CG2 4.06Å; F361-I513 HydrophobicContact CE1-CG2 3.56Å; F361-I513 WeakPolarHBondContact CE1-O 3.12Å; F361-I513 HydrophobicContact CZ-CG2 4.17Å; F361-Q516 HydrophobicContact CD1-CB 3.94Å; F361-Q516 HydrophobicContact CE1-CB 4.28Å; F361-F517 HydrophobicContact CE1-CB 3.99Å; F361-F517 HydrophobicContact CZ-CB 4.09Å
362F85.6Confident85.9Confident57 Ų5738.5 Ų38.525%0.2520%0.204CC..SBendtrans-122.6-101.1-171.1-62.6-92000112.8I357 R358 G364 L378 F382I357-F362 HydrophobicContact CG2-CD2 4.5Å; I357-F362 HydrophobicContact CG2-CE2 4.17Å; R358-F362 CarbonylContact O-C 3.38Å; R358-F362 WeakPolarHBondContact O-CA 3.4Å; R358-F362 PolarHBondContact O-N 2.91Å; F362-G364 VanDerWaalsContact C-N 3.35Å; F362-G364 PolarHBondContact O-N 3.47Å; F362-L378 HydrophobicContact CD2-CD2 4.37Å; F362-L378 HydrophobicContact CE2-CD2 3.82Å; F362-L378 HydrophobicContact CZ-CD2 4.25Å; F362-F382 HydrophobicContact CE2-CB 4.46Å; F362-F382 HydrophobicContact CE2-CD1 4.01Å; F362-F382 HydrophobicContact CE2-CD2 4.22Å; F362-F382 HydrophobicContact CE2-CE1 4.28Å; F362-F382 HydrophobicContact CE2-CE2 4.46Å; F362-F382 AromaticContact CE2-CG 3.98Å; F362-F382 HydrophobicContact CE2-CG 3.98Å; F362-F382 HydrophobicContact CE2-CZ 4.49Å; F362-F382 HydrophobicContact CZ-CD1 4.39Å; F362-F382 AromaticContact CZ-CD2 3.79Å; F362-F382 HydrophobicContact CZ-CD2 3.79Å; F362-F382 AromaticContact CZ-CE2 3.94Å; F362-F382 HydrophobicContact CZ-CE2 3.94Å; F362-F382 HydrophobicContact CZ-CG 4.02Å; F362-F382 HydrophobicContact CZ-CZ 4.3Å
363E83Confident84.9Confident16 Ų1639.3 Ų39.38%0.07520%0.203CC..SBendtrans-83.8-6.2-169.9-50.387.616600114.3R358 Y367 R373R358-E363 WeakPolarHBondContact CB-OE2 3.45Å; R358-E363 WeakPolarHBondContact CD-OE1 3.4Å; R358-E363 WeakPolarHBondContact CD-OE2 3.4Å; R358-E363 IonicContact CZ-OE1 3.2Å; R358-E363 IonicContact NE-OE1 2.67Å; R358-E363 IonicContact NH1-OE1 2.81Å; R358-E363 PolarHBondContact NH1-OE1 3.4Å; R358-E363 IonicContact NH1-OE2 2.76Å; R358-E363 PolarHBondContact O-N 3.39Å; R358-E363 VanDerWaalsContact O-N 3.14Å; E363-Y367 HydrophobicContact CB-CD2 4.36Å; E363-Y367 HydrophobicContact CG-CD2 4.4Å; E363-R373 HydrophobicContact CG-CB 3.81Å; E363-R373 HydrophobicContact CG-CG 3.64Å; E363-R373 PolarHBondContact OE1-N 3.4Å
364G84.4Confident83.9Confident12 Ų1249 Ų4912%0.12425%0.245CC..G310 helixtrans66.1-145.4176.800000113.2R358 V359 F362 M366 Y367R358-G364 PolarHBondContact O-N 3.22Å; V359-G364 WeakPolarHBondContact O-CA 3.25Å; F362-G364 VanDerWaalsContact C-N 3.35Å; F362-G364 PolarHBondContact O-N 3.47Å; G364-M366 PolarHBondContact O-N 2.98Å; G364-Y367 VanDerWaalsContact O-CB 3.31Å; G364-Y367 WeakPolarHBondContact O-CB 3.42Å; G364-Y367 PolarHBondContact O-N 3.06Å
365L81.6Confident83.2Confident66 Ų6646.6 Ų46.635%0.34624%0.242SC..G310 helixtrans-65.3-21.1-178.1-65.6178.4000113.7L337 V359 Y367 L368L337-L365 HydrophobicContact CD1-CD2 3.39Å; L337-L365 HydrophobicContact CD2-CD2 4.46Å; V359-L365 HydrophobicContact CG1-CD2 4.45Å; L365-Y367 PolarHBondContact O-N 3.25Å; L365-L368 WeakPolarHBondContact O-CB 3.34Å; L365-L368 PolarHBondContact O-N 3.25Å
366M79.8Confident82.6Confident103 Ų10355 Ų5551%0.50728%0.278SS..G310 helixtrans-71.5-19.7178.6-64.2-61.499.800112.4G364 L368 N369 G370 S371G364-M366 PolarHBondContact O-N 2.98Å; M366-L368 PolarHBondContact O-N 3.24Å; M366-N369 PolarHBondContact O-N 3.09Å; M366-G370 PolarHBondContact O-N 2.92Å; M366-S371 WeakPolarHBondContact O-CB 3.36Å; M366-S371 PolarHBondContact O-N 3.39Å; M366-S371 VanDerWaalsContact O-N 3.13Å
367Y83.7Confident82.3Confident15 Ų1564 Ų646%0.05932%0.317CS..G310 helixtrans-56.5-34.9171.2-166.3-105.9000112.8K342 D355 R358 V359 E363 G364 L365 N369 G370 S371 E372K342-Y367 HydrophobicContact CD-CD1 4.37Å; K342-Y367 HydrophobicContact CD-CE1 3.85Å; K342-Y367 VanDerWaalsContact CE-O 3.27Å; K342-Y367 WeakPolarHBondContact CE-O 3.42Å; K342-Y367 VanDerWaalsContact NZ-CZ 3.26Å; K342-Y367 PolarHBondContact NZ-OH 3.48Å; D355-Y367 HydrophobicContact CB-CD1 4.38Å; D355-Y367 HydrophobicContact CB-CE1 3.89Å; R358-Y367 HydrophobicContact CB-CD1 3.71Å; R358-Y367 HydrophobicContact CB-CD2 3.68Å; R358-Y367 HydrophobicContact CB-CE1 3.85Å; R358-Y367 HydrophobicContact CB-CE2 3.82Å; R358-Y367 HydrophobicContact CB-CG 3.65Å; R358-Y367 HydrophobicContact CG-CD1 4.45Å; R358-Y367 HydrophobicContact CG-CD2 4.07Å; R358-Y367 HydrophobicContact CG-CE1 4.11Å; R358-Y367 HydrophobicContact CG-CE2 3.7Å; R358-Y367 HydrophobicContact CG-CG 4.46Å; V359-Y367 HydrophobicContact CG2-CD1 4.22Å; E363-Y367 HydrophobicContact CB-CD2 4.36Å; E363-Y367 HydrophobicContact CG-CD2 4.4Å; G364-Y367 VanDerWaalsContact O-CB 3.31Å; G364-Y367 WeakPolarHBondContact O-CB 3.42Å; G364-Y367 PolarHBondContact O-N 3.06Å; L365-Y367 PolarHBondContact O-N 3.25Å; Y367-N369 PolarHBondContact O-N 3.49Å; Y367-G370 PolarHBondContact O-N 3.38Å; Y367-S371 WeakPolarHBondContact CA-O 3.11Å; Y367-S371 WeakPolarHBondContact CD2-O 3.4Å; Y367-E372 HydrophobicContact CD2-CG 4.28Å; Y367-E372 HydrophobicContact CE2-CG 3.75Å; Y367-E372 WeakPolarHBondContact CE2-OE1 3.27Å; Y367-E372 VanDerWaalsContact CZ-OE1 3.3Å; Y367-E372 PolarHBondContact OH-OE1 2.79Å
368L83.1Confident82.1Confident3 Ų365.4 Ų65.42%0.01633%0.325CS..G310 helixtrans-68-22.2179.7-55.8-174.6000113L337 R340 K343 L351 V359 L365 M366L337-L368 HydrophobicContact CD1-CD1 4.32Å; R340-L368 HydrophobicContact CB-CD1 4.05Å; K343-L368 PolarHBondContact N-O 3.09Å; L351-L368 HydrophobicContact CD2-CD2 3.54Å; V359-L368 HydrophobicContact CG2-CD2 3.84Å; V359-L368 HydrophobicContact CG2-CG 4.22Å; L365-L368 WeakPolarHBondContact O-CB 3.34Å; L365-L368 PolarHBondContact O-N 3.25Å; M366-L368 PolarHBondContact O-N 3.24Å
369N83.1Confident82.2Confident99 Ų9967.7 Ų67.753%0.52934%0.34SS..G310 helixtrans-100.16.9-179.7-63.7-12.5000112.9M366 Y367M366-N369 PolarHBondContact O-N 3.09Å; Y367-N369 PolarHBondContact O-N 3.49Å
370G80Confident82.3Confident45 Ų4573.7 Ų73.746%0.46437%0.368SS..THydrogen-bonded Turntrans96.64.1178.400000116M366 Y367 E372M366-G370 PolarHBondContact O-N 2.92Å; Y367-G370 PolarHBondContact O-N 3.38Å; G370-E372 PolarHBondContact O-N 2.99Å
371S76.9Confident82.4Confident51 Ų5174.1 Ų74.136%0.35737%0.369SS..  trans-76.3113.8174.2-170.60000110.9M366 Y367M366-S371 WeakPolarHBondContact O-CB 3.36Å; M366-S371 PolarHBondContact O-N 3.39Å; M366-S371 VanDerWaalsContact O-N 3.13Å; Y367-S371 WeakPolarHBondContact CA-O 3.11Å; Y367-S371 WeakPolarHBondContact CD2-O 3.4Å
372E76.4Confident82.6Confident91 Ų9173.9 Ų73.943%0.42537%0.368SS..  trans-119.1141.1175-51.9-152.6147.800110.6K342 Y367 G370K342-E372 IonicContact NZ-OE1 2.69Å; K342-E372 PolarHBondContact NZ-OE1 3.29Å; Y367-E372 HydrophobicContact CD2-CG 4.28Å; Y367-E372 HydrophobicContact CE2-CG 3.75Å; Y367-E372 WeakPolarHBondContact CE2-OE1 3.27Å; Y367-E372 VanDerWaalsContact CZ-OE1 3.3Å; Y367-E372 PolarHBondContact OH-OE1 2.79Å; G370-E372 PolarHBondContact O-N 2.99Å
373R72.3Confident83Confident119 Ų11977 Ų7745%0.44938%0.381SS..  trans-118.3153.9-178.7-68.7179.3173.6-152.3-7111.2G309 R358 E363 P375G309-R373 PolarHBondContact O-NH1 3.3Å; R358-R373 PolarHBondContact NH1-O 3.09Å; E363-R373 HydrophobicContact CG-CB 3.81Å; E363-R373 HydrophobicContact CG-CG 3.64Å; E363-R373 PolarHBondContact OE1-N 3.4Å; R373-P375 CarbonylContact O-C 3.49Å; R373-P375 VanDerWaalsContact O-O 3.04Å
374K69.6Low83.5Confident204 Ų20480.2 Ų80.289%0.88740%0.399SS*.SBendtrans-62.1140.7170.2-72.8-173.3178.1-178.80109.5
375P78.3Confident84Confident65 Ų6579.6 Ų79.642%0.42239%0.393SS..  cis-75.9145.9-4.732.5-35.2000112.2R358 R373 K377 P379R358-P375 PolarHBondContact NH1-O 3.35Å; R358-P375 PolarHBondContact NH2-O 2.72Å; R373-P375 CarbonylContact O-C 3.49Å; R373-P375 VanDerWaalsContact O-O 3.04Å; P375-K377 CarbonylContact C-O 3.58Å; P375-P379 HydrophobicContact CG-CG 4.16Å
376K79.6Confident84.7Confident177 Ų17778 Ų7877%0.7739%0.385SS*.SBendtrans-71.3-43.9176.6-75.7-170.5175.6-175.70112.6R358R358-K376 PolarHBondContact NH2-O 3.26Å
377K85.6Confident85.5Confident188 Ų18877.2 Ų77.282%0.81739%0.388SS*.SBendtrans-72.6147.9167.3-65.8-175.8179.4-179.50109.4R358 P375R358-K377 PolarHBondContact NH2-O 3.45Å; P375-K377 CarbonylContact C-O 3.58Å
378L88.1Confident86Confident30 Ų3078 Ų7816%0.15739%0.393CS..PPolyproline II helixtrans-76.1136.1173.2-73.1173.1000109.4K354 I357 F362 F382 F383 V386K354-L378 HydrophobicContact CB-CD1 4.25Å; I357-L378 HydrophobicContact CG2-CD1 4.1Å; I357-L378 HydrophobicContact CG2-CD2 3.84Å; F362-L378 HydrophobicContact CD2-CD2 4.37Å; F362-L378 HydrophobicContact CE2-CD2 3.82Å; F362-L378 HydrophobicContact CZ-CD2 4.25Å; L378-F382 HydrophobicContact CB-CB 4.41Å; L378-F382 HydrophobicContact CD2-CB 4.35Å; L378-F383 HydrophobicContact CB-CB 4.46Å; L378-V386 HydrophobicContact CD1-CG2 3.95Å
379P90.6Very high86.7Confident55 Ų5577.9 Ų77.936%0.35739%0.393SS..PPolyproline II helixtrans-61.7150.2171.2-19.931.5000111.4P375 R381 F382 F383P375-P379 HydrophobicContact CG-CG 4.16Å; P379-R381 VanDerWaalsContact C-N 3.28Å; P379-R381 PolarHBondContact O-N 3.04Å; P379-R381 VanDerWaalsContact O-N 3.07Å; P379-F382 HydrophobicContact CB-CD2 4.25Å; P379-F382 HydrophobicContact CG-CD2 4.18Å; P379-F382 WeakPolarHBondContact O-CA 3.45Å; P379-F382 PolarHBondContact O-N 3.21Å; P379-F383 PolarHBondContact O-N 3.15Å
380Q90.2Very high87.3Confident127 Ų12774.7 Ų74.759%0.59338%0.378SS*.Hα-helixtrans-47.9-45.6-170.7-167.765.711.200114F382 F383 N384Q380-F382 VanDerWaalsContact C-N 3.28Å; Q380-F382 PolarHBondContact O-N 3.29Å; Q380-F383 WeakPolarHBondContact O-CB 3.07Å; Q380-F383 PolarHBondContact O-N 3.07Å; Q380-F383 VanDerWaalsContact O-N 3.1Å; Q380-N384 PolarHBondContact NE2-OD1 2.7Å; Q380-N384 VanDerWaalsContact O-CG 3.25Å; Q380-N384 PolarHBondContact O-N 3.39Å; Q380-N384 PolarHBondContact O-OD1 2.95Å
381R91.8Very high88.1Confident22 Ų2276.1 Ų76.18%0.08337%0.369CS..Hα-helixtrans-55-41.4177.5-163.3-164.8-60.4-108.66.9112.5P379 M385 L494 I496 E506P379-R381 VanDerWaalsContact C-N 3.28Å; P379-R381 PolarHBondContact O-N 3.04Å; P379-R381 VanDerWaalsContact O-N 3.07Å; R381-M385 HydrophobicContact CG-CE 4.15Å; R381-M385 WeakPolarHBondContact O-CG 3.49Å; R381-L494 WeakPolarHBondContact CD-O 3.49Å; R381-L494 PolarHBondContact NH1-O 3.45Å; R381-I496 HydrophobicContact CB-CD1 4.29Å; R381-I496 HydrophobicContact CB-CG1 4.08Å; R381-I496 HydrophobicContact CG-CG1 4Å; R381-E506 IonicContact CZ-OE1 3.18Å; R381-E506 IonicContact CZ-OE2 2.7Å; R381-E506 IonicContact NH1-OE1 3.59Å; R381-E506 PolarHBondContact NH1-OE1 3.25Å; R381-E506 IonicContact NH1-OE2 2.76Å; R381-E506 PolarHBondContact NH1-OE2 3.13Å; R381-E506 IonicContact NH2-OE1 2.67Å; R381-E506 PolarHBondContact NH2-OE1 3.33Å; R381-E506 IonicContact NH2-OE2 3.11Å; R381-E506 PolarHBondContact NH2-OE2 3.22Å
382F92Very high89Confident7 Ų773.7 Ų73.73%0.03135%0.352CS..Hα-helixtrans-82.1-28.4177.4-65-80.8000112.9I357 F361 F362 L378 P379 Q380 M385 I513I357-F382 HydrophobicContact CG2-CB 4.16Å; I357-F382 HydrophobicContact CG2-CD1 4.26Å; F361-F382 HydrophobicContact CB-CD1 4.41Å; F361-F382 HydrophobicContact CB-CE1 3.83Å; F361-F382 HydrophobicContact CD1-CE1 4.02Å; F361-F382 AromaticContact CD2-CD1 3.97Å; F361-F382 HydrophobicContact CD2-CD1 3.97Å; F361-F382 AromaticContact CD2-CE1 3.92Å; F361-F382 HydrophobicContact CD2-CE1 3.92Å; F361-F382 HydrophobicContact CE2-CD1 4.44Å; F361-F382 HydrophobicContact CE2-CE1 4.48Å; F361-F382 HydrophobicContact CG-CD1 4.18Å; F361-F382 AromaticContact CG-CE1 3.67Å; F361-F382 HydrophobicContact CG-CE1 3.67Å; F362-F382 HydrophobicContact CE2-CB 4.46Å; F362-F382 HydrophobicContact CE2-CD1 4.01Å; F362-F382 HydrophobicContact CE2-CD2 4.22Å; F362-F382 HydrophobicContact CE2-CE1 4.28Å; F362-F382 HydrophobicContact CE2-CE2 4.46Å; F362-F382 AromaticContact CE2-CG 3.98Å; F362-F382 HydrophobicContact CE2-CG 3.98Å; F362-F382 HydrophobicContact CE2-CZ 4.49Å; F362-F382 HydrophobicContact CZ-CD1 4.39Å; F362-F382 AromaticContact CZ-CD2 3.79Å; F362-F382 HydrophobicContact CZ-CD2 3.79Å; F362-F382 AromaticContact CZ-CE2 3.94Å; F362-F382 HydrophobicContact CZ-CE2 3.94Å; F362-F382 HydrophobicContact CZ-CG 4.02Å; F362-F382 HydrophobicContact CZ-CZ 4.3Å; L378-F382 HydrophobicContact CB-CB 4.41Å; L378-F382 HydrophobicContact CD2-CB 4.35Å; P379-F382 HydrophobicContact CB-CD2 4.25Å; P379-F382 HydrophobicContact CG-CD2 4.18Å; P379-F382 WeakPolarHBondContact O-CA 3.45Å; P379-F382 PolarHBondContact O-N 3.21Å; Q380-F382 VanDerWaalsContact C-N 3.28Å; Q380-F382 PolarHBondContact O-N 3.29Å; F382-M385 HydrophobicContact CD1-CE 4.12Å; F382-M385 HydrophobicContact CD1-SD 3.73Å; F382-M385 HydrophobicContact CE1-CE 4.39Å; F382-M385 HydrophobicContact CE1-SD 4.36Å; F382-M385 HydrophobicContact CG-SD 4.45Å; F382-M385 WeakPolarHBondContact O-CB 3.24Å; F382-M385 PolarHBondContact O-N 3.24Å; F382-I513 HydrophobicContact CE1-CD1 4.34Å; F382-I513 HydrophobicContact CE1-CG1 4.4Å; F382-I513 HydrophobicContact CE1-CG2 4.23Å; F382-I513 HydrophobicContact CZ-CD1 3.85Å; F382-I513 HydrophobicContact CZ-CG1 4.04Å
383F92.6Very high90Very high123 Ų12369.5 Ų69.554%0.53933%0.333SS..Hα-helixtrans-62.5-44.9171.8-175-98.5000111.1L378 P379 Q380 M385 V386L378-F383 HydrophobicContact CB-CB 4.46Å; P379-F383 PolarHBondContact O-N 3.15Å; Q380-F383 WeakPolarHBondContact O-CB 3.07Å; Q380-F383 PolarHBondContact O-N 3.07Å; Q380-F383 VanDerWaalsContact O-N 3.1Å; F383-M385 PolarHBondContact O-N 2.94Å; F383-V386 WeakPolarHBondContact O-CB 3.34Å; F383-V386 VanDerWaalsContact O-CG2 3.3Å; F383-V386 WeakPolarHBondContact O-CG2 3.13Å; F383-V386 PolarHBondContact O-N 2.87Å
384N93.4Very high91.1Very high82 Ų8271.3 Ų71.344%0.43934%0.34SS..THydrogen-bonded Turntrans-57.9-21.3174.7-66.72.9000113.5Q380 P387Q380-N384 PolarHBondContact NE2-OD1 2.7Å; Q380-N384 VanDerWaalsContact O-CG 3.25Å; Q380-N384 PolarHBondContact O-N 3.39Å; Q380-N384 PolarHBondContact O-OD1 2.95Å; N384-P387 WeakPolarHBondContact O-CD 3.42Å
385M95.1Very high92.4Very high0 Ų064.4 Ų64.40%031%0.311CS..THydrogen-bonded Turntrans-81.5-18.5176.8-58.9172-173.700113.4I357 F361 R381 F382 F383 P387 L388 F389 W493 I513I357-M385 HydrophobicContact CD1-CB 3.85Å; F361-M385 HydrophobicContact CE2-SD 4.26Å; F361-M385 HydrophobicContact CZ-SD 4.46Å; R381-M385 HydrophobicContact CG-CE 4.15Å; R381-M385 WeakPolarHBondContact O-CG 3.49Å; F382-M385 HydrophobicContact CD1-CE 4.12Å; F382-M385 HydrophobicContact CD1-SD 3.73Å; F382-M385 HydrophobicContact CE1-CE 4.39Å; F382-M385 HydrophobicContact CE1-SD 4.36Å; F382-M385 HydrophobicContact CG-SD 4.45Å; F382-M385 WeakPolarHBondContact O-CB 3.24Å; F382-M385 PolarHBondContact O-N 3.24Å; F383-M385 PolarHBondContact O-N 2.94Å; M385-P387 VanDerWaalsContact C-CD 3.47Å; M385-L388 PolarHBondContact O-N 2.59Å; M385-F389 HydrophobicContact CB-CD2 3.9Å; M385-F389 HydrophobicContact CB-CE2 4.03Å; M385-F389 WeakPolarHBondContact O-CD2 3.49Å; M385-F389 PolarHBondContact O-N 3.31Å; M385-F389 VanDerWaalsContact O-N 3.08Å; M385-F389 HydrophobicContact SD-CE2 4.46Å; M385-W493 HydrophobicContact CE-CE3 3.69Å; M385-W493 HydrophobicContact CE-CZ3 3.77Å; M385-W493 WeakPolarHBondContact CE-O 3.43Å; M385-W493 HydrophobicContact CG-CE3 3.93Å; M385-W493 HydrophobicContact CG-CZ3 4.44Å; M385-W493 HydrophobicContact SD-CE3 3.74Å; M385-W493 HydrophobicContact SD-CZ3 3.68Å; M385-I513 HydrophobicContact CE-CG2 4.15Å
386V95.9Very high93.2Very high32 Ų3261.7 Ų61.719%0.19429%0.292CS..Hα-helixtrans-54.8-41.1-173.5175.20000113.3K354 I357 L378 F383 L388 S390K354-V386 HydrophobicContact CB-CG2 4.4Å; I357-V386 HydrophobicContact CD1-CB 4.32Å; I357-V386 HydrophobicContact CD1-CG2 3.7Å; L378-V386 HydrophobicContact CD1-CG2 3.95Å; F383-V386 WeakPolarHBondContact O-CB 3.34Å; F383-V386 VanDerWaalsContact O-CG2 3.3Å; F383-V386 WeakPolarHBondContact O-CG2 3.13Å; F383-V386 PolarHBondContact O-N 2.87Å; V386-L388 PolarHBondContact O-N 2.77Å; V386-S390 VanDerWaalsContact O-CB 3.24Å; V386-S390 WeakPolarHBondContact O-CB 3.46Å; V386-S390 PolarHBondContact O-N 2.88Å; V386-S390 PolarHBondContact O-OG 2.91Å
387P96.6Very high93.8Very high86 Ų8658.8 Ų58.856%0.55828%0.28SS*.Hα-helixtrans-62.4-40.5176-23.935.7000113.2N384 M385 S390 R391N384-P387 WeakPolarHBondContact O-CD 3.42Å; M385-P387 VanDerWaalsContact C-CD 3.47Å; P387-S390 PolarHBondContact O-N 3.22Å; P387-R391 PolarHBondContact O-N 3.09Å
388L96.1Very high94.2Very high33 Ų3358.7 Ų58.717%0.17328%0.279CS..Hα-helixtrans-67.1-47.9179.9-63.7174.1000111.5M385 V386 S390 R391 L392 M451 W493M385-L388 PolarHBondContact O-N 2.59Å; V386-L388 PolarHBondContact O-N 2.77Å; L388-S390 VanDerWaalsContact C-N 3.28Å; L388-S390 PolarHBondContact O-N 2.96Å; L388-R391 PolarHBondContact O-N 2.66Å; L388-R391 VanDerWaalsContact O-N 3.15Å; L388-L392 PolarHBondContact O-N 2.73Å; L388-M451 VanDerWaalsContact C-CE 3.48Å; L388-M451 HydrophobicContact CB-CE 3.76Å; L388-M451 WeakPolarHBondContact O-CE 3.45Å; L388-W493 HydrophobicContact CD1-CB 3.45Å; L388-W493 VanDerWaalsContact CD1-CB 3.45Å; L388-W493 HydrophobicContact CD1-CG 4.24Å
389F96.1Very high94.5Very high0 Ų057.8 Ų57.80%028%0.275CS..Hα-helixtrans-67.1-29.6176.4-79-92.3000112.3L356 I357 V360 F361 M385 L393 M451 W493 F517L356-F389 HydrophobicContact CB-CD1 4.45Å; L356-F389 HydrophobicContact CD2-CD1 3.83Å; L356-F389 HydrophobicContact CG-CD1 3.89Å; I357-F389 HydrophobicContact CD1-CB 4.15Å; I357-F389 HydrophobicContact CD1-CD2 3.87Å; I357-F389 HydrophobicContact CD1-CG 4.13Å; I357-F389 HydrophobicContact CG1-CB 4.14Å; I357-F389 HydrophobicContact CG1-CD1 4.28Å; I357-F389 HydrophobicContact CG1-CD2 3.67Å; I357-F389 HydrophobicContact CG1-CE2 4.14Å; I357-F389 HydrophobicContact CG1-CG 3.75Å; V360-F389 HydrophobicContact CG2-CE1 4.24Å; F361-F389 HydrophobicContact CE2-CE1 4.39Å; F361-F389 HydrophobicContact CE2-CE2 4.04Å; F361-F389 AromaticContact CE2-CZ 3.68Å; F361-F389 HydrophobicContact CE2-CZ 3.68Å; F361-F389 HydrophobicContact CZ-CE2 4.35Å; F361-F389 AromaticContact CZ-CZ 3.84Å; F361-F389 HydrophobicContact CZ-CZ 3.84Å; M385-F389 HydrophobicContact CB-CD2 3.9Å; M385-F389 HydrophobicContact CB-CE2 4.03Å; M385-F389 WeakPolarHBondContact O-CD2 3.49Å; M385-F389 PolarHBondContact O-N 3.31Å; M385-F389 VanDerWaalsContact O-N 3.08Å; M385-F389 HydrophobicContact SD-CE2 4.46Å; F389-L393 WeakPolarHBondContact O-CG 3.46Å; F389-L393 PolarHBondContact O-N 2.74Å; F389-L393 VanDerWaalsContact O-N 3.08Å; F389-M451 HydrophobicContact CD1-CE 4.21Å; F389-M451 HydrophobicContact CD2-CE 3.88Å; F389-M451 HydrophobicContact CE1-CE 4.34Å; F389-M451 HydrophobicContact CE2-CE 4.02Å; F389-M451 HydrophobicContact CG-CE 3.99Å; F389-M451 HydrophobicContact CZ-CE 4.25Å; F389-W493 HydrophobicContact CE2-CZ3 4.38Å; F389-F517 HydrophobicContact CE1-CD2 4.09Å; F389-F517 AromaticContact CE1-CE2 3.98Å; F389-F517 HydrophobicContact CE1-CE2 3.98Å; F389-F517 AromaticContact CZ-CD2 3.78Å; F389-F517 HydrophobicContact CZ-CD2 3.78Å; F389-F517 AromaticContact CZ-CE2 3.9Å; F389-F517 HydrophobicContact CZ-CE2 3.9Å
390S96.1Very high94.7Very high31 Ų3158.3 Ų58.322%0.21728%0.279CS..Hα-helixtrans-69.9-36.2170.9-57.10000112.2G353 V386 P387 L388 L393 R394G353-S390 WeakPolarHBondContact CA-OG 3.47Å; G353-S390 PolarHBondContact N-OG 2.93Å; V386-S390 VanDerWaalsContact O-CB 3.24Å; V386-S390 WeakPolarHBondContact O-CB 3.46Å; V386-S390 PolarHBondContact O-N 2.88Å; V386-S390 PolarHBondContact O-OG 2.91Å; P387-S390 PolarHBondContact O-N 3.22Å; L388-S390 VanDerWaalsContact C-N 3.28Å; L388-S390 PolarHBondContact O-N 2.96Å; S390-L393 PolarHBondContact O-N 3.17Å; S390-R394 WeakPolarHBondContact O-CG 3.21Å; S390-R394 PolarHBondContact O-N 3.42Å
391R97.1Very high94.9Very high75 Ų7553 Ų5328%0.28325%0.253SS..Hα-helixtrans-66.7-43.2172.5-175.3171.252.9169.8-3.3112.1P387 L388 L393 R394 Q395 P448 E450P387-R391 PolarHBondContact O-N 3.09Å; L388-R391 PolarHBondContact O-N 2.66Å; L388-R391 VanDerWaalsContact O-N 3.15Å; R391-L393 VanDerWaalsContact C-N 3.31Å; R391-L393 PolarHBondContact O-N 3.15Å; R391-R394 WeakPolarHBondContact O-CA 3.41Å; R391-R394 WeakPolarHBondContact O-CB 3.46Å; R391-R394 PolarHBondContact O-N 3.5Å; R391-Q395 HydrophobicContact CG-CG 4.46Å; R391-Q395 WeakPolarHBondContact O-CG 3.34Å; R391-Q395 PolarHBondContact O-N 3.5Å; R391-P448 HydrophobicContact CG-CG 4.44Å; R391-E450 IonicContact CZ-OE1 3.68Å; R391-E450 IonicContact CZ-OE2 3.85Å; R391-E450 IonicContact NH1-OE1 2.77Å; R391-E450 PolarHBondContact NH1-OE1 3.24Å; R391-E450 IonicContact NH1-OE2 3.19Å; R391-E450 IonicContact NH2-OE1 2.68Å; R391-E450 PolarHBondContact NH2-OE1 3.03Å; R391-E450 IonicContact NH2-OE2 2.73Å; R391-E450 PolarHBondContact NH2-OE2 2.85Å
392L96.7Very high94.8Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-53.6-47.5171-179.3165.6000111L338 L356 L388 R394 Q395 H396 V446 I447 P448 M451 W520L338-L392 HydrophobicContact CD1-CD2 3.88Å; L356-L392 HydrophobicContact CD2-CD2 3.92Å; L388-L392 PolarHBondContact O-N 2.73Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 PolarHBondContact O-N 3.09Å; L392-Q395 PolarHBondContact O-N 3.13Å; L392-H396 WeakPolarHBondContact O-CB 3.47Å; L392-H396 PolarHBondContact O-N 3.38Å; L392-V446 HydrophobicContact CD2-CG1 4.25Å; L392-V446 HydrophobicContact CG-CG1 4.32Å; L392-I447 HydrophobicContact CD1-CD1 3.66Å; L392-I447 HydrophobicContact CG-CD1 4.09Å; L392-P448 HydrophobicContact CB-CG 4.49Å; L392-M451 HydrophobicContact CB-CE 4.16Å; L392-M451 HydrophobicContact CD1-CE 3.96Å; L392-M451 HydrophobicContact CD1-SD 3.8Å; L392-W520 HydrophobicContact CD1-CH2 4.28Å; L392-W520 HydrophobicContact CD1-CZ3 4.42Å
393L95.7Very high94.9Very high4 Ų463.8 Ų63.82%0.02131%0.311CS..Hα-helixtrans-66.7-27.5177.1-74.4169.5000113.9L338 L351 L356 F389 S390 R391 K397L338-L393 HydrophobicContact CD2-CD2 4.02Å; L351-L393 HydrophobicContact CB-CD1 4.35Å; L351-L393 HydrophobicContact CB-CD2 4.47Å; L356-L393 HydrophobicContact CB-CD1 4.2Å; L356-L393 HydrophobicContact CD2-CD1 4.23Å; L356-L393 HydrophobicContact CD2-CD2 4.06Å; L356-L393 HydrophobicContact CD2-CG 3.94Å; F389-L393 WeakPolarHBondContact O-CG 3.46Å; F389-L393 PolarHBondContact O-N 2.74Å; F389-L393 VanDerWaalsContact O-N 3.08Å; S390-L393 PolarHBondContact O-N 3.17Å; R391-L393 VanDerWaalsContact C-N 3.31Å; R391-L393 PolarHBondContact O-N 3.15Å; L393-K397 WeakPolarHBondContact O-CD 3.38Å; L393-K397 VanDerWaalsContact O-CG 3.27Å; L393-K397 WeakPolarHBondContact O-CG 3.48Å; L393-K397 PolarHBondContact O-N 2.9Å
394R96.1Very high95Very high157 Ų15758.4 Ų58.459%0.59229%0.288SS*.Hα-helixtrans-73.9-42.4171.2-72.9-175.9-67.2-1573111.6S390 R391 L392 K397 K398S390-R394 WeakPolarHBondContact O-CG 3.21Å; S390-R394 PolarHBondContact O-N 3.42Å; R391-R394 WeakPolarHBondContact O-CA 3.41Å; R391-R394 WeakPolarHBondContact O-CB 3.46Å; R391-R394 PolarHBondContact O-N 3.5Å; L392-R394 VanDerWaalsContact C-N 3.32Å; L392-R394 PolarHBondContact O-N 3.09Å; R394-K397 PolarHBondContact O-N 2.89Å; R394-K398 PolarHBondContact O-N 3.16Å
395Q96.6Very high94.9Very high59 Ų5955 Ų5528%0.27627%0.27SS..Hα-helixtrans-66.1-39.4176.3-70.9171.5-6300111.8R391 L392 K397 K398 C399 V446R391-Q395 HydrophobicContact CG-CG 4.46Å; R391-Q395 WeakPolarHBondContact O-CG 3.34Å; R391-Q395 PolarHBondContact O-N 3.5Å; L392-Q395 PolarHBondContact O-N 3.13Å; Q395-K397 VanDerWaalsContact C-N 3.33Å; Q395-K397 PolarHBondContact O-N 3.34Å; Q395-K398 CarbonylContact O-C 3.58Å; Q395-K398 PolarHBondContact O-N 3.3Å; Q395-K398 VanDerWaalsContact O-N 3.13Å; Q395-C399 PolarHBondContact O-N 3.32Å; Q395-V446 PolarHBondContact OE1-O 2.88Å
396H94.6Very high94.8Very high8 Ų858.6 Ų58.64%0.03729%0.287CS..Hα-helixtrans-54.1-47.2171.9173.551.2000112.2F336 L338 N339 L392 K398 C399 Y401 V446F336-H396 AromaticContact CD1-CE1 3.67Å; F336-H396 AromaticContact CE1-CE1 3.64Å; L338-H396 VanDerWaalsContact CB-CD2 3.41Å; L338-H396 WeakPolarHBondContact CB-CD2 3.44Å; L338-H396 VanDerWaalsContact CB-NE2 3.32Å; L338-H396 WeakPolarHBondContact CB-NE2 3.47Å; L338-H396 HydrophobicContact CD1-CB 4.09Å; N339-H396 PolarHBondContact OD1-NE2 3.47Å; L392-H396 WeakPolarHBondContact O-CB 3.47Å; L392-H396 PolarHBondContact O-N 3.38Å; H396-K398 VanDerWaalsContact C-N 3.3Å; H396-K398 PolarHBondContact O-N 3.41Å; H396-C399 WeakPolarHBondContact O-CB 3.43Å; H396-C399 PolarHBondContact O-N 3.34Å; H396-Y401 AromaticContact CE1-CE2 3.68Å; H396-Y401 AromaticContact CE1-CZ 3.97Å; H396-Y401 AromaticContact ND1-CE2 3.49Å; H396-Y401 WeakPolarHBondContact ND1-CE2 3.4Å; H396-Y401 AromaticContact ND1-CZ 3.6Å; H396-Y401 PolarHBondContact ND1-OH 3.12Å; H396-V446 HydrophobicContact CB-CG1 3.75Å
397K92.4Very high94.7Very high116 Ų11664.7 Ų64.750%0.50431%0.306SS..Hα-helixtrans-65.6-29.4178.4-68.5165-171.2172.80113.3L393 R394 Q395L393-K397 WeakPolarHBondContact O-CD 3.38Å; L393-K397 VanDerWaalsContact O-CG 3.27Å; L393-K397 WeakPolarHBondContact O-CG 3.48Å; L393-K397 PolarHBondContact O-N 2.9Å; R394-K397 PolarHBondContact O-N 2.89Å; Q395-K397 VanDerWaalsContact C-N 3.33Å; Q395-K397 PolarHBondContact O-N 3.34Å
398K94.9Very high94.6Very high186 Ų18661.8 Ų61.881%0.80929%0.286SS*.Hα-helixtrans-87.8-7.9176.5-70.2-165.8173.8-1650113.8R394 Q395 H396 P400R394-K398 PolarHBondContact O-N 3.16Å; Q395-K398 CarbonylContact O-C 3.58Å; Q395-K398 PolarHBondContact O-N 3.3Å; Q395-K398 VanDerWaalsContact O-N 3.13Å; H396-K398 VanDerWaalsContact C-N 3.3Å; H396-K398 PolarHBondContact O-N 3.41Å; K398-P400 WeakPolarHBondContact O-CD 3.43Å
399C94.8Very high94.4Very high11 Ų1160.3 Ų60.37%0.07428%0.278CS..  trans-74.9119.1-173.7-174.20000111.6Q395 H396 Y401 T445 V446Q395-C399 PolarHBondContact O-N 3.32Å; H396-C399 WeakPolarHBondContact O-CB 3.43Å; H396-C399 PolarHBondContact O-N 3.34Å; C399-Y401 HydrophobicContact CB-CD2 3.95Å; C399-Y401 HydrophobicContact CB-CE2 3.62Å; C399-Y401 VanDerWaalsContact O-CD2 3.29Å; C399-Y401 WeakPolarHBondContact O-CD2 3.34Å; C399-Y401 PolarHBondContact O-N 2.92Å; C399-T445 HydrophobicContact CB-CG2 4.16Å; C399-V446 HydrophobicContact CB-CG2 3.63Å
400P94.4Very high94.1Very high66 Ų6663.1 Ų63.143%0.42930%0.296SS..  trans-82.760.5-176.335.3-36.2000111.4K398 S402 K403 I404K398-P400 WeakPolarHBondContact O-CD 3.43Å; P400-S402 VanDerWaalsContact C-N 3.27Å; P400-S402 PolarHBondContact O-N 3.41Å; P400-S402 VanDerWaalsContact O-N 3.1Å; P400-K403 HydrophobicContact CB-CB 4.25Å; P400-K403 HydrophobicContact CB-CD 4.46Å; P400-K403 HydrophobicContact CB-CG 4.42Å; P400-K403 PolarHBondContact O-N 3.49Å; P400-I404 HydrophobicContact CG-CD1 4.16Å; P400-I404 HydrophobicContact CG-CG1 4.23Å; P400-I404 PolarHBondContact O-N 3.04Å
401Y93.4Very high93.5Very high14 Ų1464.4 Ų64.46%0.05530%0.301CS..Hα-helixtrans-45.5-45.6-173.5-74.1-79.7000113.8L333 H396 C399 I404 L405 C442 L529L333-Y401 HydrophobicContact CD1-CD2 4.44Å; L333-Y401 HydrophobicContact CD1-CG 4.18Å; L333-Y401 HydrophobicContact CD2-CD1 4.45Å; L333-Y401 HydrophobicContact CD2-CD2 4.48Å; L333-Y401 HydrophobicContact CD2-CG 4.25Å; H396-Y401 AromaticContact CE1-CE2 3.68Å; H396-Y401 AromaticContact CE1-CZ 3.97Å; H396-Y401 AromaticContact ND1-CE2 3.49Å; H396-Y401 WeakPolarHBondContact ND1-CE2 3.4Å; H396-Y401 AromaticContact ND1-CZ 3.6Å; H396-Y401 PolarHBondContact ND1-OH 3.12Å; C399-Y401 HydrophobicContact CB-CD2 3.95Å; C399-Y401 HydrophobicContact CB-CE2 3.62Å; C399-Y401 VanDerWaalsContact O-CD2 3.29Å; C399-Y401 WeakPolarHBondContact O-CD2 3.34Å; C399-Y401 PolarHBondContact O-N 2.92Å; Y401-I404 PolarHBondContact O-N 2.87Å; Y401-L405 VanDerWaalsContact O-CB 3.3Å; Y401-L405 WeakPolarHBondContact O-CB 3.35Å; Y401-L405 PolarHBondContact O-N 2.89Å; Y401-C442 HydrophobicContact CD1-CB 4.42Å; Y401-C442 HydrophobicContact CE1-CB 3.98Å; Y401-L529 HydrophobicContact CD1-CD1 3.75Å; Y401-L529 HydrophobicContact CE1-CD1 3.59Å; Y401-L529 HydrophobicContact CE1-CD2 4.07Å
402S91.2Very high92.1Very high85 Ų8565.7 Ų65.759%0.59432%0.317SS*.Hα-helixtrans-66.2-38.2-179.4-46.20000113.1P400 L405 Q406P400-S402 VanDerWaalsContact C-N 3.27Å; P400-S402 PolarHBondContact O-N 3.41Å; P400-S402 VanDerWaalsContact O-N 3.1Å; S402-L405 PolarHBondContact O-N 3.27Å; S402-Q406 WeakPolarHBondContact O-CB 3.13Å; S402-Q406 PolarHBondContact O-N 3.32Å
403K93.3Very high90.2Very high171 Ų17174.1 Ų74.174%0.74336%0.356SS*.Hα-helixtrans-68.3-41.8175.7-62.8-168.1175.6-170.40110.8P400 L405 Q406 R407P400-K403 HydrophobicContact CB-CB 4.25Å; P400-K403 HydrophobicContact CB-CD 4.46Å; P400-K403 HydrophobicContact CB-CG 4.42Å; P400-K403 PolarHBondContact O-N 3.49Å; K403-L405 VanDerWaalsContact C-N 3.34Å; K403-Q406 PolarHBondContact O-N 2.83Å; K403-R407 WeakPolarHBondContact O-CB 3.37Å; K403-R407 PolarHBondContact O-N 3.43Å
404I94.3Very high88.2Confident10 Ų1078 Ų785%0.05137%0.374CS..Hα-helixtrans-64.1-40.6175.6-59170000110.6P400 Y401 I408 F438 E441P400-I404 HydrophobicContact CG-CD1 4.16Å; P400-I404 HydrophobicContact CG-CG1 4.23Å; P400-I404 PolarHBondContact O-N 3.04Å; Y401-I404 PolarHBondContact O-N 2.87Å; I404-I408 HydrophobicContact CG2-CD1 3.9Å; I404-I408 WeakPolarHBondContact O-CG1 3.42Å; I404-I408 PolarHBondContact O-N 3.03Å; I404-F438 HydrophobicContact CB-CD2 4.49Å; I404-F438 HydrophobicContact CB-CE2 4.45Å; I404-F438 HydrophobicContact CG2-CD2 3.89Å; I404-F438 HydrophobicContact CG2-CE2 4.26Å; I404-E441 HydrophobicContact CD1-CG 4.45Å; I404-E441 HydrophobicContact CG2-CB 3.82Å; I404-E441 HydrophobicContact CG2-CG 3.85Å
405L92.8Very high85.8Confident12 Ų1281.8 Ų81.86%0.06339%0.388CS..Hα-helixtrans-63.9-49.6176.9-17564.1000111.3Y401 S402 K403 R407 I408 C409 F438 C533 F534Y401-L405 VanDerWaalsContact O-CB 3.3Å; Y401-L405 WeakPolarHBondContact O-CB 3.35Å; Y401-L405 PolarHBondContact O-N 2.89Å; S402-L405 PolarHBondContact O-N 3.27Å; K403-L405 VanDerWaalsContact C-N 3.34Å; L405-R407 VanDerWaalsContact C-N 3.35Å; L405-R407 PolarHBondContact O-N 3.4Å; L405-I408 PolarHBondContact O-N 3.22Å; L405-C409 HydrophobicContact CD1-CB 4.06Å; L405-C409 CarbonylContact O-C 3.58Å; L405-C409 VanDerWaalsContact O-C 3.23Å; L405-C409 WeakPolarHBondContact O-CA 3.19Å; L405-C409 PolarHBondContact O-N 3.31Å; L405-C409 VanDerWaalsContact O-O 3.14Å; L405-F438 HydrophobicContact CB-CD2 4.09Å; L405-F438 HydrophobicContact CB-CE2 3.65Å; L405-F438 HydrophobicContact CB-CZ 4.33Å; L405-F438 HydrophobicContact CD1-CD1 4.44Å; L405-F438 HydrophobicContact CD1-CD2 3.94Å; L405-F438 HydrophobicContact CD1-CE1 4.35Å; L405-F438 HydrophobicContact CD1-CE2 3.89Å; L405-F438 HydrophobicContact CD1-CG 4.24Å; L405-F438 HydrophobicContact CD1-CZ 4.09Å; L405-F438 HydrophobicContact CG-CE2 4.35Å; L405-C533 HydrophobicContact CD1-CB 4.45Å; L405-C533 HydrophobicContact CD2-CB 4.17Å; L405-F534 HydrophobicContact CD1-CE1 4.14Å; L405-F534 HydrophobicContact CD1-CE2 4.01Å; L405-F534 HydrophobicContact CD1-CZ 3.46Å; L405-F534 VanDerWaalsContact CD1-CZ 3.46Å
406Q92.9Very high83.3Confident75 Ų7586.7 Ų86.735%0.3542%0.416SS..Hα-helixtrans-63.3-38.8179.4-171.467.33.300112.1S402 K403 I408 P410S402-Q406 WeakPolarHBondContact O-CB 3.13Å; S402-Q406 PolarHBondContact O-N 3.32Å; K403-Q406 PolarHBondContact O-N 2.83Å; Q406-I408 VanDerWaalsContact C-N 3.34Å; Q406-I408 PolarHBondContact O-N 2.88Å; Q406-P410 VanDerWaalsContact O-CA 3.22Å; Q406-P410 WeakPolarHBondContact O-CA 3.26Å; Q406-P410 WeakPolarHBondContact O-CB 3.25Å; Q406-P410 WeakPolarHBondContact O-CD 3.18Å
407R93.9Very high81Confident159 Ų15992.7 Ų92.760%0.645%0.454SS*.Hα-helixtrans-65.2-31.5178.6-171.9-178.564.6168.72.9113.8K403 L405 E441K403-R407 WeakPolarHBondContact O-CB 3.37Å; K403-R407 PolarHBondContact O-N 3.43Å; L405-R407 VanDerWaalsContact C-N 3.35Å; L405-R407 PolarHBondContact O-N 3.4Å; R407-E441 IonicContact CZ-OE1 2.78Å; R407-E441 IonicContact NH1-OE1 3.06Å; R407-E441 IonicContact NH2-OE1 3.38Å; R407-E441 PolarHBondContact NH2-OE1 3.07Å
408I93.4Very high79Confident25 Ų2589.2 Ų89.213%0.12845%0.451CS..Hα-helixtrans-104.9-36.3-173.3-62.7171.9000111.8I404 L405 Q406 R434 L437 F438 E441I404-I408 HydrophobicContact CG2-CD1 3.9Å; I404-I408 WeakPolarHBondContact O-CG1 3.42Å; I404-I408 PolarHBondContact O-N 3.03Å; L405-I408 PolarHBondContact O-N 3.22Å; Q406-I408 VanDerWaalsContact C-N 3.34Å; Q406-I408 PolarHBondContact O-N 2.88Å; I408-R434 HydrophobicContact CG2-CB 4.33Å; I408-R434 WeakPolarHBondContact CG2-O 3.44Å; I408-R434 WeakPolarHBondContact O-CD 3.49Å; I408-L437 HydrophobicContact CG2-CB 3.94Å; I408-F438 HydrophobicContact CB-CB 4.5Å; I408-F438 HydrophobicContact CD1-CB 4.42Å; I408-F438 HydrophobicContact CG2-CB 4.18Å; I408-E441 HydrophobicContact CD1-CB 4.31Å
409C92Very high76.6Confident2 Ų287.2 Ų87.21%0.01446%0.457CS..SBendtrans-130.569.2179.9-660000109.3L405 C430 F534 R550L405-C409 HydrophobicContact CD1-CB 4.06Å; L405-C409 CarbonylContact O-C 3.58Å; L405-C409 VanDerWaalsContact O-C 3.23Å; L405-C409 WeakPolarHBondContact O-CA 3.19Å; L405-C409 PolarHBondContact O-N 3.31Å; L405-C409 VanDerWaalsContact O-O 3.14Å; C409-C430 VanDerWaalsContact CB-SG 3.6Å; C409-C430 VanDerWaalsContact SG-SG 3.66Å; C409-F534 HydrophobicContact CB-CE1 4.34Å; C409-F534 HydrophobicContact CB-CZ 4.39Å; C409-R550 WeakPolarHBondContact O-CD 3.39Å; C409-R550 PolarHBondContact O-NH1 3.09Å
410P89.6Confident75Confident59 Ų5988.8 Ų88.838%0.38348%0.475SS..  trans-60.3151.1-178.725-34.6000112Q406Q406-P410 VanDerWaalsContact O-CA 3.22Å; Q406-P410 WeakPolarHBondContact O-CA 3.26Å; Q406-P410 WeakPolarHBondContact O-CB 3.25Å; Q406-P410 WeakPolarHBondContact O-CD 3.18Å
411L83.2Confident73.8Confident58 Ų5887.5 Ų87.530%0.30446%0.463SS..  trans-72.2135.5154.2-62.9176.5000108R550 E552 V553L411-R550 HydrophobicContact CD2-CB 4.29Å; L411-E552 HydrophobicContact CD1-CB 4.34Å; L411-E552 HydrophobicContact CD1-CG 4.33Å; L411-E552 HydrophobicContact CD2-CB 4.17Å; L411-V553 HydrophobicContact CD2-CG2 3.85Å
412V68Low73.2Confident103 Ų10388.7 Ų88.762%0.62447%0.47SS*.  trans-91.5114.4164.1-179.70000106.1
413E56.1Low72.7Confident177 Ų17787.9 Ų87.983%0.82747%0.465SS*.  trans-71.8146.4174.3-66.2177.4-178.300110
414E53.6Low72.2Confident86 Ų8681.7 Ų81.740%0.40244%0.443SS..  trans-124.2124.2174.2-96.2162.7162.300108.6S424 K428E414-S424 PolarHBondContact OE1-OG 3.08Å; E414-K428 IonicContact OE1-NZ 3.48Å; E414-K428 PolarHBondContact OE1-NZ 3.31Å; E414-K428 IonicContact OE2-NZ 3.58Å; E414-K428 PolarHBondContact OE2-NZ 3.29Å
415R45.9Very low71.8Confident236 Ų23681.5 Ų81.589%0.89144%0.442SS*.  trans-82.3153.2154.2-61.3178.3-178.7-179.9-1.1107.1
416N45.7Very low71.6Confident161 Ų16181.1 Ų81.186%0.86144%0.44SS*.  trans79.9115.5-178.4-48.9-6.8000114.7
417T45.7Very low71.4Confident135 Ų13581.5 Ų81.583%0.82845%0.449SS*.  trans-99.2122.2173.446.80000110.1
418G49.6Very low71.1Confident42 Ų4276.4 Ų76.443%0.43343%0.431SS..  trans-159.6167.3178.400000112.6G420 E421G418-G420 PolarHBondContact O-N 3.1Å; G418-E421 PolarHBondContact O-N 3.3Å
419P46.1Very low71Confident145 Ų14578.4 Ų78.494%0.94244%0.44SS*.THydrogen-bonded Turntrans-62.2-12.4-170.722.2-32.6000115.4E421P419-E421 VanDerWaalsContact C-N 3.34Å
420G59.4Low71.1Confident43 Ų4379.1 Ų79.144%0.44345%0.445SS..THydrogen-bonded Turntrans-77.4-3.7172.100000116.1G418 L422 S423 S424G418-G420 PolarHBondContact O-N 3.1Å; G420-L422 PolarHBondContact O-N 3.22Å; G420-L422 VanDerWaalsContact O-N 3.1Å; G420-S423 PolarHBondContact O-N 3.2Å; G420-S423 VanDerWaalsContact O-N 3.13Å; G420-S423 PolarHBondContact O-OG 3.14Å; G420-S424 PolarHBondContact O-N 3.08Å
421E70.8Confident71.2Confident39 Ų3977.8 Ų77.818%0.18244%0.439CS..Hα-helixtrans-56.1-32.7-173.3-167.6-178.4-178.900113.2G418 P419 S423 S424 L425 K556 L560G418-E421 PolarHBondContact O-N 3.3Å; P419-E421 VanDerWaalsContact C-N 3.34Å; E421-S423 PolarHBondContact O-N 3.19Å; E421-S424 PolarHBondContact O-N 3.21Å; E421-S424 PolarHBondContact O-OG 3.11Å; E421-L425 HydrophobicContact CG-CD1 3.81Å; E421-L425 HydrophobicContact CG-CG 4.08Å; E421-L425 WeakPolarHBondContact O-CB 3.46Å; E421-L425 WeakPolarHBondContact O-CG 3.32Å; E421-L425 PolarHBondContact O-N 3.36Å; E421-K556 IonicContact OE1-NZ 3.7Å; E421-K556 PolarHBondContact OE1-NZ 3.47Å; E421-L560 HydrophobicContact CB-CD1 4.06Å; E421-L560 HydrophobicContact CG-CD1 3.78Å
422L79.4Confident71.6Confident39 Ų3976.5 Ų76.520%0.20443%0.434CS..Hα-helixtrans-66.9-38.7-179.3-164.173.2000112.7G420 L426 L557 L560 M600G420-L422 PolarHBondContact O-N 3.22Å; G420-L422 VanDerWaalsContact O-N 3.1Å; L422-L426 WeakPolarHBondContact O-CD1 3.47Å; L422-L426 VanDerWaalsContact O-CG 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.4Å; L422-L426 PolarHBondContact O-N 2.67Å; L422-L557 HydrophobicContact CD1-CD2 3.78Å; L422-L560 HydrophobicContact CD1-CB 4Å; L422-M600 HydrophobicContact CD1-CG 4.28Å
423S80.7Confident72.9Confident69 Ų6975.9 Ų75.948%0.48342%0.424SS..Hα-helixtrans-78.9-28.7179.558.40000112.5G420 E421 P427G420-S423 PolarHBondContact O-N 3.2Å; G420-S423 VanDerWaalsContact O-N 3.13Å; G420-S423 PolarHBondContact O-OG 3.14Å; E421-S423 PolarHBondContact O-N 3.19Å; S423-P427 WeakPolarHBondContact O-CD 3.28Å
424S84.3Confident74.7Confident41 Ų4173 Ų7329%0.28741%0.405SS..Hα-helixtrans-71-35.8171.885.30000112.4E414 G420 E421 P427 K428E414-S424 PolarHBondContact OE1-OG 3.08Å; G420-S424 PolarHBondContact O-N 3.08Å; E421-S424 PolarHBondContact O-N 3.21Å; E421-S424 PolarHBondContact O-OG 3.11Å; S424-P427 WeakPolarHBondContact O-CD 3.47Å; S424-K428 WeakPolarHBondContact O-CE 3.46Å; S424-K428 WeakPolarHBondContact O-CG 3.39Å
425L85.7Confident76.7Confident6 Ų669 Ų693%0.03139%0.386CS..Hα-helixtrans-78.4-29.2179.9-68.2-178.5000113.8E421 K428 K556 L557 L560E421-L425 HydrophobicContact CG-CD1 3.81Å; E421-L425 HydrophobicContact CG-CG 4.08Å; E421-L425 WeakPolarHBondContact O-CB 3.46Å; E421-L425 WeakPolarHBondContact O-CG 3.32Å; E421-L425 PolarHBondContact O-N 3.36Å; L425-K428 HydrophobicContact CD2-CD 3.92Å; L425-K428 WeakPolarHBondContact O-CB 3.48Å; L425-K428 PolarHBondContact O-N 3.24Å; L425-K556 HydrophobicContact CD1-CB 3.86Å; L425-K556 HydrophobicContact CD1-CD 4.16Å; L425-L557 HydrophobicContact CB-CD2 3.49Å; L425-L557 VanDerWaalsContact CB-CD2 3.49Å; L425-L557 HydrophobicContact CB-CG 3.97Å; L425-L557 HydrophobicContact CD1-CD2 4.38Å; L425-L557 HydrophobicContact CD1-CG 4.48Å; L425-L560 HydrophobicContact CD1-CD1 3.91Å
426L86.9Confident79.2Confident3 Ų358.6 Ų58.62%0.01635%0.348CS..THydrogen-bonded Turntrans-57.5-39.6-177.4-89167.3000114.7L422 K428 Y549 L557 P595 M600L422-L426 WeakPolarHBondContact O-CD1 3.47Å; L422-L426 VanDerWaalsContact O-CG 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.4Å; L422-L426 PolarHBondContact O-N 2.67Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 2.91Å; L426-Y549 WeakPolarHBondContact O-CE1 3.25Å; L426-Y549 PolarHBondContact O-OH 2.7Å; L426-L557 HydrophobicContact CD2-CD2 4.49Å; L426-L557 HydrophobicContact CG-CD2 4.2Å; L426-P595 HydrophobicContact CD2-CB 3.76Å; L426-P595 HydrophobicContact CD2-CG 4.42Å; L426-M600 HydrophobicContact CD2-SD 4.12Å
427P89Confident81.6Confident84 Ų8453.8 Ų53.855%0.54532%0.322SS..THydrogen-bonded Turntrans-69.3-17.3171.7-24.835.3000115.8S423 S424 H429S423-P427 WeakPolarHBondContact O-CD 3.28Å; S424-P427 WeakPolarHBondContact O-CD 3.47Å; P427-H429 PolarHBondContact O-N 3.29Å
428K89.1Confident84.1Confident52 Ų5247.4 Ų47.423%0.22628%0.282CS..  trans-77.344.5-171.3-57.5-172.6-170.4-177.30113.9E414 S424 L425 L426 V553E414-K428 IonicContact OE1-NZ 3.48Å; E414-K428 PolarHBondContact OE1-NZ 3.31Å; E414-K428 IonicContact OE2-NZ 3.58Å; E414-K428 PolarHBondContact OE2-NZ 3.29Å; S424-K428 WeakPolarHBondContact O-CE 3.46Å; S424-K428 WeakPolarHBondContact O-CG 3.39Å; L425-K428 HydrophobicContact CD2-CD 3.92Å; L425-K428 WeakPolarHBondContact O-CB 3.48Å; L425-K428 PolarHBondContact O-N 3.24Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 2.91Å; K428-V553 HydrophobicContact CB-CG1 4.22Å
429H91.1Very high86.3Confident67 Ų6745.4 Ų45.431%0.3126%0.262SS..EExtended strand (participates in β ladder)trans-94.5140.4173.462.461.8000112.1P427 A431 R547 Y549P427-H429 PolarHBondContact O-N 3.29Å; H429-A431 PolarHBondContact O-N 2.81Å; H429-R547 HydrophobicContact CB-CB 4.1Å; H429-R547 HydrophobicContact CB-CG 4.43Å; H429-R547 WeakPolarHBondContact CD2-CD 3.25Å; H429-R547 PolarHBondContact CD2-NE 3Å; H429-R547 PolarHBondContact NE2-NE 3.49Å; H429-R547 VanDerWaalsContact NE2-NE 3.15Å; H429-Y549 HydrophobicContact CB-CD1 3.97Å; H429-Y549 HydrophobicContact CB-CD2 4.39Å; H429-Y549 HydrophobicContact CB-CE1 3.78Å; H429-Y549 HydrophobicContact CB-CE2 4.2Å; H429-Y549 HydrophobicContact CB-CG 4.28Å
430C92.9Very high88.7Confident17 Ų1743 Ų4312%0.11523%0.234CC..EExtended strand (participates in β ladder)trans-72.4129.6174.6-64.30000110.7C409 V435 F534 F548C409-C430 VanDerWaalsContact CB-SG 3.6Å; C409-C430 VanDerWaalsContact SG-SG 3.66Å; C430-V435 HydrophobicContact CB-CG2 3.87Å; C430-F534 HydrophobicContact CB-CE1 4.01Å; C430-F548 HydrophobicContact CB-CB 4.46Å; C430-F548 WeakPolarHBondContact CB-O 3.38Å; C430-F548 PolarHBondContact N-O 2.94Å
431A91.7Very high90.5Very high31 Ų3143.3 Ų43.326%0.25622%0.224SC..PPolyproline II helixtrans-65.7146.1173.500000111H429 H433 R434 V435H429-A431 PolarHBondContact O-N 2.81Å; A431-H433 PolarHBondContact O-N 2.79Å; A431-R434 PolarHBondContact O-N 2.97Å; A431-V435 PolarHBondContact O-N 3.32Å
432P93Very high91.8Very high31 Ų3141.5 Ų41.520%0.20122%0.215CC..Hα-helixtrans-55.4-29.1-177.3-27.734.7000114.6F436 F548P432-F436 WeakPolarHBondContact O-CB 3.48Å; P432-F436 PolarHBondContact O-N 3.15Å; P432-F548 HydrophobicContact CB-CE2 4.24Å; P432-F548 HydrophobicContact CG-CD2 4.35Å; P432-F548 HydrophobicContact CG-CE2 4.04Å
433H93.8Very high92.6Very high90 Ų9039.6 Ų39.642%0.41721%0.206SC..Hα-helixtrans-68.3-36.9175.672.7-104.9000112.8A431 F436 L437A431-H433 PolarHBondContact O-N 2.79Å; H433-F436 PolarHBondContact O-N 3.19Å; H433-L437 WeakPolarHBondContact O-CG 3.42Å; H433-L437 PolarHBondContact O-N 3.04Å
434R95.1Very high93.3Very high117 Ų11739.1 Ų39.144%0.44220%0.202SC..Hα-helixtrans-70.9-40.4176.2-63.6-161.6177.2-1596.2111.2I408 A431 F436 L437 F438I408-R434 HydrophobicContact CG2-CB 4.33Å; I408-R434 WeakPolarHBondContact CG2-O 3.44Å; I408-R434 WeakPolarHBondContact O-CD 3.49Å; A431-R434 PolarHBondContact O-N 2.97Å; R434-F436 VanDerWaalsContact C-N 3.3Å; R434-F436 PolarHBondContact O-N 3.16Å; R434-L437 PolarHBondContact O-N 2.81Å; R434-L437 VanDerWaalsContact O-N 3.14Å; R434-F438 PolarHBondContact O-N 2.79Å
435V96Very high93.9Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-59.6-41.9172-177.20000110.7C430 A431 F438 V439 L469 V530 F534 F548C430-V435 HydrophobicContact CB-CG2 3.87Å; A431-V435 PolarHBondContact O-N 3.32Å; V435-F438 PolarHBondContact O-N 2.78Å; V435-V439 WeakPolarHBondContact O-CB 3.5Å; V435-V439 WeakPolarHBondContact O-CG2 3.27Å; V435-V439 PolarHBondContact O-N 3.32Å; V435-L469 HydrophobicContact CG1-CD1 4.49Å; V435-V530 HydrophobicContact CG1-CG2 3.93Å; V435-F534 HydrophobicContact CG1-CD2 4.32Å; V435-F534 HydrophobicContact CG1-CE2 4.08Å; V435-F534 HydrophobicContact CG2-CE1 4.17Å; V435-F534 HydrophobicContact CG2-CE2 4.46Å; V435-F534 HydrophobicContact CG2-CZ 4.14Å; V435-F548 HydrophobicContact CG1-CD1 4.39Å; V435-F548 HydrophobicContact CG2-CB 3.77Å; V435-F548 HydrophobicContact CG2-CD1 4.37Å; V435-F548 HydrophobicContact CG2-CD2 4.18Å; V435-F548 HydrophobicContact CG2-CG 3.88Å
436F97.1Very high94.4Very high19 Ų1939.4 Ų39.48%0.08320%0.203CC..Hα-helixtrans-62.6-44.1172.1167.4-107.5000112.9P432 H433 R434 F438 V439 R440 F462 R466 L469P432-F436 WeakPolarHBondContact O-CB 3.48Å; P432-F436 PolarHBondContact O-N 3.15Å; H433-F436 PolarHBondContact O-N 3.19Å; R434-F436 VanDerWaalsContact C-N 3.3Å; R434-F436 PolarHBondContact O-N 3.16Å; F436-F438 VanDerWaalsContact C-N 3.34Å; F436-F438 PolarHBondContact O-N 3.26Å; F436-V439 PolarHBondContact O-N 3.05Å; F436-R440 HydrophobicContact CE2-CB 4.21Å; F436-R440 HydrophobicContact CZ-CB 4.16Å; F436-R440 HydrophobicContact CZ-CG 4.21Å; F436-R440 VanDerWaalsContact O-CB 3.25Å; F436-R440 WeakPolarHBondContact O-CB 3.4Å; F436-R440 PolarHBondContact O-N 3Å; F436-F462 HydrophobicContact CE2-CB 4.4Å; F436-F462 WeakPolarHBondContact CE2-O 3.48Å; F436-F462 HydrophobicContact CZ-CB 4.26Å; F436-R466 HydrophobicContact CD1-CB 4.05Å; F436-R466 HydrophobicContact CD1-CG 3.83Å; F436-R466 HydrophobicContact CD2-CB 3.66Å; F436-R466 HydrophobicContact CD2-CG 4.26Å; F436-R466 HydrophobicContact CE1-CB 4.07Å; F436-R466 HydrophobicContact CE1-CG 4.12Å; F436-R466 HydrophobicContact CE2-CB 3.7Å; F436-R466 HydrophobicContact CG-CB 3.85Å; F436-R466 HydrophobicContact CG-CG 3.9Å; F436-R466 HydrophobicContact CZ-CB 3.89Å; F436-R466 HydrophobicContact CZ-CG 4.46Å; F436-L469 HydrophobicContact CB-CD1 3.93Å; F436-L469 HydrophobicContact CD2-CD1 4.43Å
437L97.1Very high94.9Very high60 Ų6039.5 Ų39.531%0.31420%0.203SC..Hα-helixtrans-60.8-42.9177.5-72.7170.4000111.8I408 H433 R434 R440 E441I408-L437 HydrophobicContact CG2-CB 3.94Å; H433-L437 WeakPolarHBondContact O-CG 3.42Å; H433-L437 PolarHBondContact O-N 3.04Å; R434-L437 PolarHBondContact O-N 2.81Å; R434-L437 VanDerWaalsContact O-N 3.14Å; L437-R440 PolarHBondContact O-N 2.86Å; L437-E441 PolarHBondContact O-N 3.14Å
438F96.8Very high95.2Very high0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-59.2-48.7173.5166.9-104.1000112.3I404 L405 I408 R434 V435 F436 E441 C442 L529 C533 F534I404-F438 HydrophobicContact CB-CD2 4.49Å; I404-F438 HydrophobicContact CB-CE2 4.45Å; I404-F438 HydrophobicContact CG2-CD2 3.89Å; I404-F438 HydrophobicContact CG2-CE2 4.26Å; L405-F438 HydrophobicContact CB-CD2 4.09Å; L405-F438 HydrophobicContact CB-CE2 3.65Å; L405-F438 HydrophobicContact CB-CZ 4.33Å; L405-F438 HydrophobicContact CD1-CD1 4.44Å; L405-F438 HydrophobicContact CD1-CD2 3.94Å; L405-F438 HydrophobicContact CD1-CE1 4.35Å; L405-F438 HydrophobicContact CD1-CE2 3.89Å; L405-F438 HydrophobicContact CD1-CG 4.24Å; L405-F438 HydrophobicContact CD1-CZ 4.09Å; L405-F438 HydrophobicContact CG-CE2 4.35Å; I408-F438 HydrophobicContact CB-CB 4.5Å; I408-F438 HydrophobicContact CD1-CB 4.42Å; I408-F438 HydrophobicContact CG2-CB 4.18Å; R434-F438 PolarHBondContact O-N 2.79Å; V435-F438 PolarHBondContact O-N 2.78Å; F436-F438 VanDerWaalsContact C-N 3.34Å; F436-F438 PolarHBondContact O-N 3.26Å; F438-E441 PolarHBondContact O-N 2.92Å; F438-C442 PolarHBondContact O-N 3.48Å; F438-C442 PolarHBondContact O-SG 3.03Å; F438-L529 HydrophobicContact CE1-CD1 4.25Å; F438-L529 HydrophobicContact CE1-CD2 3.97Å; F438-L529 HydrophobicContact CE1-CG 3.87Å; F438-L529 HydrophobicContact CZ-CD1 4.22Å; F438-L529 HydrophobicContact CZ-CD2 4.34Å; F438-L529 HydrophobicContact CZ-CG 4.3Å; F438-C533 HydrophobicContact CE1-CB 4.26Å; F438-C533 HydrophobicContact CZ-CB 4.39Å; F438-F534 AromaticContact CD1-CE2 3.78Å; F438-F534 HydrophobicContact CD1-CE2 3.78Å; F438-F534 HydrophobicContact CD1-CZ 4.28Å; F438-F534 AromaticContact CE1-CE2 3.95Å; F438-F534 HydrophobicContact CE1-CE2 3.95Å
439V96.9Very high95.5Very high0 Ų043.3 Ų43.30%021%0.205CC..Hα-helixtrans-61.8-42.8175.8165.60000112V435 F436 E441 C442 L443 L469 V526 V530V435-V439 WeakPolarHBondContact O-CB 3.5Å; V435-V439 WeakPolarHBondContact O-CG2 3.27Å; V435-V439 PolarHBondContact O-N 3.32Å; F436-V439 PolarHBondContact O-N 3.05Å; V439-E441 VanDerWaalsContact C-N 3.35Å; V439-E441 PolarHBondContact O-N 3.25Å; V439-C442 PolarHBondContact O-N 3.15Å; V439-L443 HydrophobicContact CG1-CD1 3.83Å; V439-L443 HydrophobicContact CG1-CG 4.33Å; V439-L443 WeakPolarHBondContact O-CB 3.23Å; V439-L443 WeakPolarHBondContact O-CG 3.33Å; V439-L443 PolarHBondContact O-N 2.92Å; V439-L469 HydrophobicContact CB-CD1 4.47Å; V439-L469 HydrophobicContact CG2-CD1 4.32Å; V439-V526 HydrophobicContact CG1-CB 4.25Å; V439-V526 HydrophobicContact CG1-CG1 3.81Å; V439-V526 HydrophobicContact CG1-CG2 3.68Å; V439-V526 HydrophobicContact CG2-CG1 4.39Å; V439-V530 HydrophobicContact CG2-CG2 3.98Å
440R97.1Very high95.7Very high96 Ų9644.3 Ų44.336%0.36221%0.21SC..Hα-helixtrans-60.7-43.7178.9-174.2-160.372.6174.63.2111.2F436 L437 S444 F462F436-R440 HydrophobicContact CE2-CB 4.21Å; F436-R440 HydrophobicContact CZ-CB 4.16Å; F436-R440 HydrophobicContact CZ-CG 4.21Å; F436-R440 VanDerWaalsContact O-CB 3.25Å; F436-R440 WeakPolarHBondContact O-CB 3.4Å; F436-R440 PolarHBondContact O-N 3Å; L437-R440 PolarHBondContact O-N 2.86Å; R440-S444 WeakPolarHBondContact O-CB 3.21Å; R440-S444 PolarHBondContact O-N 3Å; R440-S444 PolarHBondContact O-OG 3.15Å; R440-F462 HydrophobicContact CG-CD2 3.66Å; R440-F462 HydrophobicContact CG-CE2 3.57Å; R440-F462 HydrophobicContact CG-CG 4.28Å; R440-F462 HydrophobicContact CG-CZ 4.16Å
441E97Very high95.8Very high49 Ų4943.5 Ų43.523%0.22921%0.205CC..Hα-helixtrans-63.1-50176.4-157.480.1159.100110.4I404 R407 I408 L437 F438 V439 L443 S444 T445I404-E441 HydrophobicContact CD1-CG 4.45Å; I404-E441 HydrophobicContact CG2-CB 3.82Å; I404-E441 HydrophobicContact CG2-CG 3.85Å; R407-E441 IonicContact CZ-OE1 2.78Å; R407-E441 IonicContact NH1-OE1 3.06Å; R407-E441 IonicContact NH2-OE1 3.38Å; R407-E441 PolarHBondContact NH2-OE1 3.07Å; I408-E441 HydrophobicContact CD1-CB 4.31Å; L437-E441 PolarHBondContact O-N 3.14Å; F438-E441 PolarHBondContact O-N 2.92Å; V439-E441 VanDerWaalsContact C-N 3.35Å; V439-E441 PolarHBondContact O-N 3.25Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3Å; E441-S444 WeakPolarHBondContact O-CA 3.39Å; E441-S444 WeakPolarHBondContact O-CB 3.3Å; E441-S444 PolarHBondContact O-N 3.26Å; E441-T445 PolarHBondContact O-N 3.06Å; E441-T445 PolarHBondContact O-OG1 2.97Å; E441-T445 VanDerWaalsContact O-OG1 3.1Å
442C96.7Very high96Very high0 Ų042.5 Ų42.50%020%0.195CC..Hα-helixtrans-62.6-36.3-180-67.10000112.9Y401 F438 V439 V446 F525 L529Y401-C442 HydrophobicContact CD1-CB 4.42Å; Y401-C442 HydrophobicContact CE1-CB 3.98Å; F438-C442 PolarHBondContact O-N 3.48Å; F438-C442 PolarHBondContact O-SG 3.03Å; V439-C442 PolarHBondContact O-N 3.15Å; C442-V446 VanDerWaalsContact O-CB 3.27Å; C442-V446 WeakPolarHBondContact O-CB 3.35Å; C442-V446 VanDerWaalsContact O-CG2 3.28Å; C442-V446 WeakPolarHBondContact O-CG2 3.32Å; C442-V446 PolarHBondContact O-N 2.96Å; C442-F525 HydrophobicContact CB-CE1 4.47Å; C442-L529 HydrophobicContact CB-CD2 3.66Å
443L96.5Very high96.1Very high0 Ų042.5 Ų42.50%020%0.2CC..Hα-helixtrans-64.6-42.1171.3-76.1168.4000111.7V439 E441 T445 V446 I447 F461 F462 L521 F525 V526V439-L443 HydrophobicContact CG1-CD1 3.83Å; V439-L443 HydrophobicContact CG1-CG 4.33Å; V439-L443 WeakPolarHBondContact O-CB 3.23Å; V439-L443 WeakPolarHBondContact O-CG 3.33Å; V439-L443 PolarHBondContact O-N 2.92Å; E441-L443 VanDerWaalsContact C-N 3.32Å; E441-L443 PolarHBondContact O-N 3Å; L443-T445 VanDerWaalsContact C-N 3.35Å; L443-V446 PolarHBondContact O-N 2.72Å; L443-I447 HydrophobicContact CD2-CG1 3.91Å; L443-I447 VanDerWaalsContact O-CB 3.3Å; L443-I447 WeakPolarHBondContact O-CB 3.3Å; L443-I447 WeakPolarHBondContact O-CG1 3.5Å; L443-I447 PolarHBondContact O-N 3.36Å; L443-F461 HydrophobicContact CD1-CD1 4.5Å; L443-F461 HydrophobicContact CD1-CE1 4.02Å; L443-F462 HydrophobicContact CB-CE1 3.84Å; L443-F462 HydrophobicContact CB-CZ 4.21Å; L443-F462 HydrophobicContact CD1-CD1 4.18Å; L443-F462 HydrophobicContact CD1-CE1 3.87Å; L443-F462 HydrophobicContact CG-CE1 4.5Å; L443-L521 HydrophobicContact CD2-CD1 3.78Å; L443-L521 HydrophobicContact CD2-CD2 4.34Å; L443-L521 HydrophobicContact CD2-CG 4.01Å; L443-F525 HydrophobicContact CD2-CD1 3.55Å; L443-F525 HydrophobicContact CD2-CE1 3.63Å; L443-F525 HydrophobicContact CD2-CG 4.4Å; L443-F525 HydrophobicContact CG-CD1 4.24Å; L443-F525 HydrophobicContact CG-CE1 3.97Å; L443-V526 HydrophobicContact CD1-CG2 3.99Å; L443-V526 HydrophobicContact CD2-CG2 4.38Å; L443-V526 HydrophobicContact CG-CG2 4.5Å
444S96Very high96.2Very high59 Ų5939.6 Ų39.641%0.41319%0.19SC..Hα-helixtrans-69.1-32-179.7-54.50000112.6R440 E441 F462R440-S444 WeakPolarHBondContact O-CB 3.21Å; R440-S444 PolarHBondContact O-N 3Å; R440-S444 PolarHBondContact O-OG 3.15Å; E441-S444 WeakPolarHBondContact O-CA 3.39Å; E441-S444 WeakPolarHBondContact O-CB 3.3Å; E441-S444 PolarHBondContact O-N 3.26Å; S444-F462 WeakPolarHBondContact OG-CZ 3.24Å
445T96.3Very high96.3Very high53 Ų5338.6 Ų38.633%0.32519%0.193SC..Hα-helixtrans-78.3-34.7175.7-54.30000113.1C399 E441 L443C399-T445 HydrophobicContact CB-CG2 4.16Å; E441-T445 PolarHBondContact O-N 3.06Å; E441-T445 PolarHBondContact O-OG1 2.97Å; E441-T445 VanDerWaalsContact O-OG1 3.1Å; L443-T445 VanDerWaalsContact C-N 3.35Å
446V96.8Very high96.3Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-103.2-25.6-168.4-179.80000114.5L392 Q395 H396 C399 C442 L443 F525L392-V446 HydrophobicContact CD2-CG1 4.25Å; L392-V446 HydrophobicContact CG-CG1 4.32Å; Q395-V446 PolarHBondContact OE1-O 2.88Å; H396-V446 HydrophobicContact CB-CG1 3.75Å; C399-V446 HydrophobicContact CB-CG2 3.63Å; C442-V446 VanDerWaalsContact O-CB 3.27Å; C442-V446 WeakPolarHBondContact O-CB 3.35Å; C442-V446 VanDerWaalsContact O-CG2 3.28Å; C442-V446 WeakPolarHBondContact O-CG2 3.32Å; C442-V446 PolarHBondContact O-N 2.96Å; L443-V446 PolarHBondContact O-N 2.72Å; V446-F525 HydrophobicContact CB-CE2 4.14Å; V446-F525 HydrophobicContact CB-CZ 4.03Å; V446-F525 HydrophobicContact CG1-CE2 3.76Å; V446-F525 HydrophobicContact CG1-CZ 4.18Å; V446-F525 HydrophobicContact CG2-CZ 4.38Å
447I96.8Very high96.3Very high4 Ų441.8 Ų41.82%0.02121%0.208CC..SBendtrans-99.2116.3-178.1-50.5-56.8000109.8L392 L443 M451 W452 L521L392-I447 HydrophobicContact CD1-CD1 3.66Å; L392-I447 HydrophobicContact CG-CD1 4.09Å; L443-I447 HydrophobicContact CD2-CG1 3.91Å; L443-I447 VanDerWaalsContact O-CB 3.3Å; L443-I447 WeakPolarHBondContact O-CB 3.3Å; L443-I447 WeakPolarHBondContact O-CG1 3.5Å; L443-I447 PolarHBondContact O-N 3.36Å; I447-M451 HydrophobicContact CG2-CB 3.96Å; I447-M451 HydrophobicContact CG2-SD 4.13Å; I447-W452 HydrophobicContact CB-CZ2 3.88Å; I447-W452 HydrophobicContact CG1-CZ2 4.2Å; I447-W452 HydrophobicContact CG2-CZ2 3.75Å; I447-L521 HydrophobicContact CD1-CD1 3.53Å; I447-L521 HydrophobicContact CG1-CD1 3.92Å
448P96.3Very high96.3Very high4 Ų442.2 Ų42.23%0.02621%0.206CC..  trans-53.8143.1176.4-21.527.4000112.9R391 L392 E450 M451R391-P448 HydrophobicContact CG-CG 4.44Å; L392-P448 HydrophobicContact CB-CG 4.49Å; P448-E450 VanDerWaalsContact CB-OE2 3.26Å; P448-E450 WeakPolarHBondContact CB-OE2 3.47Å; P448-E450 PolarHBondContact O-N 2.98Å; P448-E450 VanDerWaalsContact O-N 3.16Å; P448-M451 HydrophobicContact CB-CG 4.37Å; P448-M451 HydrophobicContact CG-CE 4.38Å; P448-M451 HydrophobicContact CG-CG 4.34Å; P448-M451 HydrophobicContact CG-SD 4.34Å; P448-M451 WeakPolarHBondContact O-CB 3.41Å; P448-M451 PolarHBondContact O-N 3.18Å
449R94.8Very high96.2Very high212 Ų21246.2 Ų46.280%0.823%0.23SC*.G310 helixtrans-55-38.5-177.3-69.1-171.3-179.3-170.82.2111.9M451 W452R449-M451 VanDerWaalsContact C-N 3.28Å; R449-M451 PolarHBondContact O-N 3.06Å; R449-W452 PolarHBondContact O-N 3.46Å
450E94.5Very high96.1Very high88 Ų8847.9 Ų47.941%0.41124%0.238SC..G310 helixtrans-69.6-21.5-176.6-45.994.3127.400113R391 P448 W452 G453 W493R391-E450 IonicContact CZ-OE1 3.68Å; R391-E450 IonicContact CZ-OE2 3.85Å; R391-E450 IonicContact NH1-OE1 2.77Å; R391-E450 PolarHBondContact NH1-OE1 3.24Å; R391-E450 IonicContact NH1-OE2 3.19Å; R391-E450 IonicContact NH2-OE1 2.68Å; R391-E450 PolarHBondContact NH2-OE1 3.03Å; R391-E450 IonicContact NH2-OE2 2.73Å; R391-E450 PolarHBondContact NH2-OE2 2.85Å; P448-E450 VanDerWaalsContact CB-OE2 3.26Å; P448-E450 WeakPolarHBondContact CB-OE2 3.47Å; P448-E450 PolarHBondContact O-N 2.98Å; P448-E450 VanDerWaalsContact O-N 3.16Å; E450-W452 PolarHBondContact O-N 3.41Å; E450-G453 PolarHBondContact O-N 3.15Å; E450-W493 VanDerWaalsContact O-CD1 3.28Å
451M95.1Very high96.1Very high1 Ų143.3 Ų43.31%0.00522%0.221CC..G310 helixtrans-68.1-25.2174.3-74.1-167.5171.700112.6L388 F389 L392 I447 P448 R449 W493 F517L388-M451 VanDerWaalsContact C-CE 3.48Å; L388-M451 HydrophobicContact CB-CE 3.76Å; L388-M451 WeakPolarHBondContact O-CE 3.45Å; F389-M451 HydrophobicContact CD1-CE 4.21Å; F389-M451 HydrophobicContact CD2-CE 3.88Å; F389-M451 HydrophobicContact CE1-CE 4.34Å; F389-M451 HydrophobicContact CE2-CE 4.02Å; F389-M451 HydrophobicContact CG-CE 3.99Å; F389-M451 HydrophobicContact CZ-CE 4.25Å; L392-M451 HydrophobicContact CB-CE 4.16Å; L392-M451 HydrophobicContact CD1-CE 3.96Å; L392-M451 HydrophobicContact CD1-SD 3.8Å; I447-M451 HydrophobicContact CG2-CB 3.96Å; I447-M451 HydrophobicContact CG2-SD 4.13Å; P448-M451 HydrophobicContact CB-CG 4.37Å; P448-M451 HydrophobicContact CG-CE 4.38Å; P448-M451 HydrophobicContact CG-CG 4.34Å; P448-M451 HydrophobicContact CG-SD 4.34Å; P448-M451 WeakPolarHBondContact O-CB 3.41Å; P448-M451 PolarHBondContact O-N 3.18Å; R449-M451 VanDerWaalsContact C-N 3.28Å; R449-M451 PolarHBondContact O-N 3.06Å; M451-W493 PolarHBondContact O-NE1 3.28Å; M451-F517 HydrophobicContact CB-CE1 4.32Å; M451-F517 HydrophobicContact CB-CZ 4.14Å; M451-F517 HydrophobicContact CG-CZ 4.46Å; M451-F517 HydrophobicContact SD-CE2 4Å; M451-F517 HydrophobicContact SD-CZ 3.69Å
452W95.9Very high96.1Very high10 Ų1041.7 Ų41.74%0.03821%0.213CC..G310 helixtrans-79.5-19.7175-52.3103000112.7I447 R449 E450 S454 N457 R458 F461 F462 C491 L518 L521I447-W452 HydrophobicContact CB-CZ2 3.88Å; I447-W452 HydrophobicContact CG1-CZ2 4.2Å; I447-W452 HydrophobicContact CG2-CZ2 3.75Å; R449-W452 PolarHBondContact O-N 3.46Å; E450-W452 PolarHBondContact O-N 3.41Å; W452-S454 PolarHBondContact O-N 3.14Å; W452-N457 WeakPolarHBondContact O-CB 3.47Å; W452-N457 PolarHBondContact O-ND2 3.42Å; W452-R458 HydrophobicContact CB-CB 3.96Å; W452-R458 HydrophobicContact CD2-CB 3.88Å; W452-R458 HydrophobicContact CD2-CG 3.86Å; W452-R458 HydrophobicContact CE3-CB 4.26Å; W452-R458 HydrophobicContact CE3-CG 4.41Å; W452-R458 HydrophobicContact CG-CB 3.75Å; W452-R458 HydrophobicContact CG-CG 3.98Å; W452-R458 HydrophobicContact CZ2-CG 4.4Å; W452-F461 HydrophobicContact CE3-CB 4.34Å; W452-F461 HydrophobicContact CH2-CB 4.48Å; W452-F461 AromaticContact CH2-CD1 3.54Å; W452-F461 HydrophobicContact CH2-CD1 3.54Å; W452-F461 HydrophobicContact CH2-CE1 4.05Å; W452-F461 HydrophobicContact CH2-CG 4.16Å; W452-F461 HydrophobicContact CZ3-CB 3.66Å; W452-F461 AromaticContact CZ3-CD1 3.48Å; W452-F461 HydrophobicContact CZ3-CD1 3.48Å; W452-F461 VanDerWaalsContact CZ3-CD1 3.48Å; W452-F461 HydrophobicContact CZ3-CD2 4.42Å; W452-F461 HydrophobicContact CZ3-CE1 4.24Å; W452-F461 AromaticContact CZ3-CG 3.59Å; W452-F461 HydrophobicContact CZ3-CG 3.59Å; W452-F462 HydrophobicContact CH2-CD1 4.48Å; W452-F462 AromaticContact CH2-CE1 3.94Å; W452-F462 HydrophobicContact CH2-CE1 3.94Å; W452-F462 AromaticContact CZ2-CE1 3.95Å; W452-F462 HydrophobicContact CZ2-CE1 3.95Å; W452-C491 PolarHBondContact O-SG 3.39Å; W452-C491 VanDerWaalsContact O-SG 3.36Å; W452-L518 HydrophobicContact CZ3-CD2 4.43Å; W452-L521 HydrophobicContact CH2-CD2 3.43Å; W452-L521 VanDerWaalsContact CH2-CD2 3.43Å; W452-L521 HydrophobicContact CZ2-CD2 4.28Å; W452-L521 HydrophobicContact CZ3-CD2 3.66Å
453G95.4Very high95.9Very high30 Ų3044.3 Ų44.331%0.30923%0.234SC..SBendtrans73.3-53.8-169.300000113.1E450 D490E450-G453 PolarHBondContact O-N 3.15Å; G453-D490 WeakPolarHBondContact CA-O 3.49Å
454S96.4Very high95.8Very high30 Ų3046.2 Ų46.221%0.2124%0.242CC..SBendtrans-144.5160.8177.665.70000113.2W452 H456 N457 R458 D490W452-S454 PolarHBondContact O-N 3.14Å; S454-H456 PolarHBondContact O-N 2.97Å; S454-N457 PolarHBondContact O-N 3.44Å; S454-R458 PolarHBondContact O-N 3.47Å; S454-R458 VanDerWaalsContact O-N 3.12Å; S454-D490 WeakPolarHBondContact CB-OD2 3.29Å; S454-D490 PolarHBondContact OG-OD2 3.43Å
455D96.5Very high95.7Very high96 Ų9643.4 Ų43.451%0.51322%0.223SC..Hα-helixtrans-63-27.6175.4-80.5-55.6000113.1R458 V459D455-R458 PolarHBondContact O-N 2.68Å; D455-R458 IonicContact OD1-CZ 2.64Å; D455-R458 IonicContact OD1-NE 2.63Å; D455-R458 PolarHBondContact OD1-NE 2.8Å; D455-R458 IonicContact OD1-NH2 3.92Å; D455-R458 PolarHBondContact OD1-NH2 3.04Å; D455-V459 WeakPolarHBondContact O-CB 3.48Å; D455-V459 VanDerWaalsContact O-CG2 3.31Å; D455-V459 WeakPolarHBondContact O-CG2 3.22Å; D455-V459 PolarHBondContact O-N 2.92Å
456H96.7Very high95.6Very high82 Ų8247.3 Ų47.338%0.3823%0.232SC..Hα-helixtrans-56.4-51.4170.7170.991.1000111.3S454 H460 N485 K487S454-H456 PolarHBondContact O-N 2.97Å; H456-H460 VanDerWaalsContact O-CB 3.3Å; H456-H460 WeakPolarHBondContact O-CB 3.25Å; H456-H460 PolarHBondContact O-N 2.89Å; H456-N485 PolarHBondContact NE2-O 3.32Å; H456-K487 HydrophobicContact CB-CD 4.45Å
457N96.6Very high95.4Very high3 Ų350.2 Ų50.22%0.01625%0.252CS..Hα-helixtrans-63.7-42.2177.6-72.2-16.3000111.5W452 S454 H460 F461 M486 K487W452-N457 WeakPolarHBondContact O-CB 3.47Å; W452-N457 PolarHBondContact O-ND2 3.42Å; S454-N457 PolarHBondContact O-N 3.44Å; N457-H460 PolarHBondContact O-N 3.28Å; N457-F461 WeakPolarHBondContact O-CB 3.49Å; N457-F461 PolarHBondContact O-N 2.93Å; N457-M486 HydrophobicContact CB-SD 3.82Å; N457-M486 WeakPolarHBondContact O-CE 3.39Å; N457-K487 PolarHBondContact ND2-O 2.81Å; N457-K487 PolarHBondContact OD1-N 3.31Å
458R96.8Very high95.1Very high69 Ų6950.1 Ų50.126%0.2625%0.251SS..Hα-helixtrans-60.1-51.3178-174.4177.363.382.3-1.6112W452 S454 D455 F461 F462W452-R458 HydrophobicContact CB-CB 3.96Å; W452-R458 HydrophobicContact CD2-CB 3.88Å; W452-R458 HydrophobicContact CD2-CG 3.86Å; W452-R458 HydrophobicContact CE3-CB 4.26Å; W452-R458 HydrophobicContact CE3-CG 4.41Å; W452-R458 HydrophobicContact CG-CB 3.75Å; W452-R458 HydrophobicContact CG-CG 3.98Å; W452-R458 HydrophobicContact CZ2-CG 4.4Å; S454-R458 PolarHBondContact O-N 3.47Å; S454-R458 VanDerWaalsContact O-N 3.12Å; D455-R458 PolarHBondContact O-N 2.68Å; D455-R458 IonicContact OD1-CZ 2.64Å; D455-R458 IonicContact OD1-NE 2.63Å; D455-R458 PolarHBondContact OD1-NE 2.8Å; D455-R458 IonicContact OD1-NH2 3.92Å; D455-R458 PolarHBondContact OD1-NH2 3.04Å; R458-F461 PolarHBondContact O-N 3.49Å; R458-F462 HydrophobicContact CG-CE1 4.22Å; R458-F462 HydrophobicContact CG-CE2 4.13Å; R458-F462 HydrophobicContact CG-CZ 3.95Å; R458-F462 WeakPolarHBondContact O-CD1 3.45Å; R458-F462 WeakPolarHBondContact O-CG 3.07Å; R458-F462 PolarHBondContact O-N 3.1Å
459V96Very high94.9Very high84 Ų8450.1 Ų50.151%0.50925%0.251SS..Hα-helixtrans-65.6-40.5179.7172.70000110.8D455 F462 A463D455-V459 WeakPolarHBondContact O-CB 3.48Å; D455-V459 VanDerWaalsContact O-CG2 3.31Å; D455-V459 WeakPolarHBondContact O-CG2 3.22Å; D455-V459 PolarHBondContact O-N 2.92Å; V459-F462 PolarHBondContact O-N 3.08Å; V459-A463 PolarHBondContact O-N 3.27Å
460H94.7Very high94.7Very high36 Ų3642 Ų4217%0.16722%0.222CC..Hα-helixtrans-65.4-41.2176.3-172-103.8000112.3H456 N457 A463 K464 W484 M486H456-H460 VanDerWaalsContact O-CB 3.3Å; H456-H460 WeakPolarHBondContact O-CB 3.25Å; H456-H460 PolarHBondContact O-N 2.89Å; N457-H460 PolarHBondContact O-N 3.28Å; H460-A463 PolarHBondContact O-N 3.36Å; H460-K464 WeakPolarHBondContact CE1-CE 3.41Å; H460-K464 VanDerWaalsContact NE2-CE 3.28Å; H460-K464 WeakPolarHBondContact NE2-CE 3.34Å; H460-K464 WeakPolarHBondContact O-CG 3.19Å; H460-K464 PolarHBondContact O-N 3.33Å; H460-W484 PolarHBondContact CE1-O 3.03Å; H460-W484 PolarHBondContact ND1-O 3.32Å; H460-M486 HydrophobicContact CB-CE 4.17Å
461F96Very high94.4Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-62.6-42.4172.3-175.8-94.2000111.8L443 W452 N457 R458 A463 K464 A465 L482 M486 L518 L521 L522L443-F461 HydrophobicContact CD1-CD1 4.5Å; L443-F461 HydrophobicContact CD1-CE1 4.02Å; W452-F461 HydrophobicContact CE3-CB 4.34Å; W452-F461 HydrophobicContact CH2-CB 4.48Å; W452-F461 AromaticContact CH2-CD1 3.54Å; W452-F461 HydrophobicContact CH2-CD1 3.54Å; W452-F461 HydrophobicContact CH2-CE1 4.05Å; W452-F461 HydrophobicContact CH2-CG 4.16Å; W452-F461 HydrophobicContact CZ3-CB 3.66Å; W452-F461 AromaticContact CZ3-CD1 3.48Å; W452-F461 HydrophobicContact CZ3-CD1 3.48Å; W452-F461 VanDerWaalsContact CZ3-CD1 3.48Å; W452-F461 HydrophobicContact CZ3-CD2 4.42Å; W452-F461 HydrophobicContact CZ3-CE1 4.24Å; W452-F461 AromaticContact CZ3-CG 3.59Å; W452-F461 HydrophobicContact CZ3-CG 3.59Å; N457-F461 WeakPolarHBondContact O-CB 3.49Å; N457-F461 PolarHBondContact O-N 2.93Å; R458-F461 PolarHBondContact O-N 3.49Å; F461-A463 VanDerWaalsContact C-N 3.32Å; F461-A463 PolarHBondContact O-N 3.2Å; F461-K464 PolarHBondContact O-N 2.92Å; F461-A465 HydrophobicContact CE1-CB 4.38Å; F461-A465 WeakPolarHBondContact O-CB 3.11Å; F461-A465 PolarHBondContact O-N 3.36Å; F461-L482 HydrophobicContact CD2-CD1 3.87Å; F461-L482 HydrophobicContact CE2-CD1 3.99Å; F461-M486 HydrophobicContact CB-CE 4Å; F461-L518 HydrophobicContact CD2-CB 4.36Å; F461-L518 HydrophobicContact CD2-CD2 3.86Å; F461-L518 HydrophobicContact CE2-CB 4.21Å; F461-L518 HydrophobicContact CE2-CD2 4.18Å; F461-L518 HydrophobicContact CG-CD2 4.5Å; F461-L521 HydrophobicContact CD1-CD2 4.28Å; F461-L521 HydrophobicContact CE1-CD2 3.76Å; F461-L521 HydrophobicContact CE1-CG 3.96Å; F461-L521 HydrophobicContact CE2-CB 4.32Å; F461-L521 HydrophobicContact CE2-CD2 4.27Å; F461-L521 HydrophobicContact CE2-CG 4.49Å; F461-L521 HydrophobicContact CZ-CB 3.87Å; F461-L521 HydrophobicContact CZ-CD2 3.77Å; F461-L521 HydrophobicContact CZ-CG 3.72Å; F461-L522 HydrophobicContact CE2-CB 4.42Å; F461-L522 HydrophobicContact CZ-CB 4.21Å; F461-L522 HydrophobicContact CZ-CD1 4.3Å
462F96.8Very high94Very high14 Ų1438.3 Ų38.36%0.06121%0.206CC..Hα-helixtrans-60.7-40175.3-73.72000112F436 R440 L443 S444 W452 R458 V459 A465 R466F436-F462 HydrophobicContact CE2-CB 4.4Å; F436-F462 WeakPolarHBondContact CE2-O 3.48Å; F436-F462 HydrophobicContact CZ-CB 4.26Å; R440-F462 HydrophobicContact CG-CD2 3.66Å; R440-F462 HydrophobicContact CG-CE2 3.57Å; R440-F462 HydrophobicContact CG-CG 4.28Å; R440-F462 HydrophobicContact CG-CZ 4.16Å; L443-F462 HydrophobicContact CB-CE1 3.84Å; L443-F462 HydrophobicContact CB-CZ 4.21Å; L443-F462 HydrophobicContact CD1-CD1 4.18Å; L443-F462 HydrophobicContact CD1-CE1 3.87Å; L443-F462 HydrophobicContact CG-CE1 4.5Å; S444-F462 WeakPolarHBondContact OG-CZ 3.24Å; W452-F462 HydrophobicContact CH2-CD1 4.48Å; W452-F462 AromaticContact CH2-CE1 3.94Å; W452-F462 HydrophobicContact CH2-CE1 3.94Å; W452-F462 AromaticContact CZ2-CE1 3.95Å; W452-F462 HydrophobicContact CZ2-CE1 3.95Å; R458-F462 HydrophobicContact CG-CE1 4.22Å; R458-F462 HydrophobicContact CG-CE2 4.13Å; R458-F462 HydrophobicContact CG-CZ 3.95Å; R458-F462 WeakPolarHBondContact O-CD1 3.45Å; R458-F462 WeakPolarHBondContact O-CG 3.07Å; R458-F462 PolarHBondContact O-N 3.1Å; V459-F462 PolarHBondContact O-N 3.08Å; F462-A465 PolarHBondContact O-N 2.97Å; F462-R466 WeakPolarHBondContact O-CB 3.22Å; F462-R466 PolarHBondContact O-N 2.92Å
463A94.1Very high93.3Very high55 Ų5539.1 Ų39.146%0.45521%0.21SC..Hα-helixtrans-63.4-41.1174.300000112.4V459 H460 F461 R466 S467V459-A463 PolarHBondContact O-N 3.27Å; H460-A463 PolarHBondContact O-N 3.36Å; F461-A463 VanDerWaalsContact C-N 3.32Å; F461-A463 PolarHBondContact O-N 3.2Å; A463-R466 PolarHBondContact O-N 3.22Å; A463-S467 PolarHBondContact O-N 3.02Å
464K93.1Very high92.7Very high40 Ų4043.2 Ų43.217%0.17422%0.22CC..Hα-helixtrans-66.5-43175.3-64.9-73.4171.5165.90112.1H460 F461 S467 F468 E481 L482H460-K464 WeakPolarHBondContact CE1-CE 3.41Å; H460-K464 VanDerWaalsContact NE2-CE 3.28Å; H460-K464 WeakPolarHBondContact NE2-CE 3.34Å; H460-K464 WeakPolarHBondContact O-CG 3.19Å; H460-K464 PolarHBondContact O-N 3.33Å; F461-K464 PolarHBondContact O-N 2.92Å; K464-S467 PolarHBondContact O-N 3.16Å; K464-F468 WeakPolarHBondContact O-CB 3.38Å; K464-F468 PolarHBondContact O-N 2.78Å; K464-E481 WeakPolarHBondContact CE-O 3.14Å; K464-E481 PolarHBondContact NZ-O 2.98Å; K464-L482 HydrophobicContact CB-CD1 3.9Å; K464-L482 HydrophobicContact CG-CD1 4.23Å
465A94.4Very high92.1Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-63.6-40.3175.100000112.2F461 F462 F468 L469 L522F461-A465 HydrophobicContact CE1-CB 4.38Å; F461-A465 WeakPolarHBondContact O-CB 3.11Å; F461-A465 PolarHBondContact O-N 3.36Å; F462-A465 PolarHBondContact O-N 2.97Å; A465-F468 PolarHBondContact O-N 2.86Å; A465-L469 WeakPolarHBondContact O-CG 3.5Å; A465-L469 PolarHBondContact O-N 3.39Å; A465-L469 VanDerWaalsContact O-N 3.09Å; A465-L522 HydrophobicContact CB-CD1 4.03Å
466R94.9Very high91.4Very high136 Ų13642.5 Ų42.551%0.51321%0.206SC..Hα-helixtrans-58.2-52.7171.4-174178.9176.5-179.8-0.2110.6F436 F462 A463 F468 L469 H470F436-R466 HydrophobicContact CD1-CB 4.05Å; F436-R466 HydrophobicContact CD1-CG 3.83Å; F436-R466 HydrophobicContact CD2-CB 3.66Å; F436-R466 HydrophobicContact CD2-CG 4.26Å; F436-R466 HydrophobicContact CE1-CB 4.07Å; F436-R466 HydrophobicContact CE1-CG 4.12Å; F436-R466 HydrophobicContact CE2-CB 3.7Å; F436-R466 HydrophobicContact CG-CB 3.85Å; F436-R466 HydrophobicContact CG-CG 3.9Å; F436-R466 HydrophobicContact CZ-CB 3.89Å; F436-R466 HydrophobicContact CZ-CG 4.46Å; F462-R466 WeakPolarHBondContact O-CB 3.22Å; F462-R466 PolarHBondContact O-N 2.92Å; A463-R466 PolarHBondContact O-N 3.22Å; R466-F468 PolarHBondContact O-N 3.31Å; R466-L469 PolarHBondContact O-N 2.69Å; R466-H470 PolarHBondContact O-N 3.23Å; R466-H470 PolarHBondContact O-ND1 2.79Å
467S90.7Very high90.8Very high60 Ų6039.4 Ų39.442%0.4219%0.193SC..Hα-helixtrans-56.8-47.3-179.9-169.90000112A463 K464 L469 H470 S471A463-S467 PolarHBondContact O-N 3.02Å; K464-S467 PolarHBondContact O-N 3.16Å; S467-L469 VanDerWaalsContact C-N 3.33Å; S467-L469 PolarHBondContact O-N 2.59Å; S467-H470 CarbonylContact O-C 3.59Å; S467-H470 VanDerWaalsContact O-C 3.31Å; S467-H470 WeakPolarHBondContact O-CA 3.05Å; S467-H470 PolarHBondContact O-N 3.15Å; S467-S471 PolarHBondContact O-N 3.29Å; S467-S471 VanDerWaalsContact O-N 3.07Å; S467-S471 PolarHBondContact O-OG 2.58Å
468F91.5Very high90.2Very high3 Ų339.3 Ų39.31%0.01319%0.192CC..Hα-helixtrans-61.7-33.7178.3178.6-101.2000113.8I321 F326 K464 A465 R466 H470 S471 L477 L522 V527I321-F468 HydrophobicContact CG2-CE2 3.96Å; I321-F468 HydrophobicContact CG2-CZ 3.88Å; F326-F468 AromaticContact CD1-CE1 3.76Å; F326-F468 HydrophobicContact CD1-CE1 3.76Å; F326-F468 HydrophobicContact CD1-CZ 4.03Å; F326-F468 HydrophobicContact CE1-CD1 4.3Å; F326-F468 AromaticContact CE1-CE1 3.68Å; F326-F468 HydrophobicContact CE1-CE1 3.68Å; F326-F468 AromaticContact CE1-CZ 3.93Å; F326-F468 HydrophobicContact CE1-CZ 3.93Å; K464-F468 WeakPolarHBondContact O-CB 3.38Å; K464-F468 PolarHBondContact O-N 2.78Å; A465-F468 PolarHBondContact O-N 2.86Å; R466-F468 PolarHBondContact O-N 3.31Å; F468-H470 VanDerWaalsContact C-N 3.29Å; F468-S471 WeakPolarHBondContact O-CB 3.31Å; F468-S471 PolarHBondContact O-N 2.95Å; F468-L477 HydrophobicContact CD2-CB 4.19Å; F468-L522 HydrophobicContact CB-CD2 4.38Å; F468-L522 HydrophobicContact CD1-CD1 4.04Å; F468-L522 HydrophobicContact CD1-CD2 4.15Å; F468-L522 HydrophobicContact CD1-CG 4.15Å; F468-L522 HydrophobicContact CD2-CD2 4.26Å; F468-L522 HydrophobicContact CE1-CG 4.37Å; F468-L522 HydrophobicContact CG-CD1 4.47Å; F468-L522 HydrophobicContact CG-CD2 4Å; F468-L522 HydrophobicContact CG-CG 4.5Å; F468-V527 HydrophobicContact CE1-CG2 3.61Å; F468-V527 HydrophobicContact CZ-CG2 3.93Å
469L92.5Very high89.7Confident3 Ų336.9 Ų36.92%0.01618%0.184CC..Hα-helixtrans-75.5-17.4173.1-67.8171.4000113.2V435 F436 V439 A465 R466 S467 V526 V530V435-L469 HydrophobicContact CG1-CD1 4.49Å; F436-L469 HydrophobicContact CB-CD1 3.93Å; F436-L469 HydrophobicContact CD2-CD1 4.43Å; V439-L469 HydrophobicContact CB-CD1 4.47Å; V439-L469 HydrophobicContact CG2-CD1 4.32Å; A465-L469 WeakPolarHBondContact O-CG 3.5Å; A465-L469 PolarHBondContact O-N 3.39Å; A465-L469 VanDerWaalsContact O-N 3.09Å; R466-L469 PolarHBondContact O-N 2.69Å; S467-L469 VanDerWaalsContact C-N 3.33Å; S467-L469 PolarHBondContact O-N 2.59Å; L469-V526 HydrophobicContact CD2-CG1 4.46Å; L469-V530 HydrophobicContact CD2-CG2 4Å
470H90.7Very high89.1Confident41 Ų4133.7 Ų33.719%0.1917%0.167CC..THydrogen-bonded Turntrans-100.611.7173-61.461000112.1R466 S467 F468 R920 Y921R466-H470 PolarHBondContact O-N 3.23Å; R466-H470 PolarHBondContact O-ND1 2.79Å; S467-H470 CarbonylContact O-C 3.59Å; S467-H470 VanDerWaalsContact O-C 3.31Å; S467-H470 WeakPolarHBondContact O-CA 3.05Å; S467-H470 PolarHBondContact O-N 3.15Å; F468-H470 VanDerWaalsContact C-N 3.29Å; H470-R920 PolarHBondContact O-NE 3.26Å; H470-R920 PolarHBondContact O-NH2 2.85Å; H470-Y921 PolarHBondContact O-OH 3.47Å
471S87.7Confident88.7Confident13 Ų1332.9 Ų32.99%0.09116%0.163CC..SBendtrans-82.5143.2174.9-83.70000111.6S467 F468 E475S467-S471 PolarHBondContact O-N 3.29Å; S467-S471 VanDerWaalsContact O-N 3.07Å; S467-S471 PolarHBondContact O-OG 2.58Å; F468-S471 WeakPolarHBondContact O-CB 3.31Å; F468-S471 PolarHBondContact O-N 2.95Å; S471-E475 WeakPolarHBondContact CA-OE2 3.43Å; S471-E475 WeakPolarHBondContact CB-OE2 3.32Å; S471-E475 PolarHBondContact OG-OE2 3.26Å
472G86.2Confident88.4Confident0 Ų032.9 Ų32.90%016%0.163CC..  trans-70.7161.1174.900000113.4T323 F474 E475 N544T323-G472 WeakPolarHBondContact CB-O 3.23Å; T323-G472 WeakPolarHBondContact CG2-O 3.08Å; T323-G472 PolarHBondContact OG1-O 3.5Å; G472-F474 PolarHBondContact O-N 3.48Å; G472-E475 VanDerWaalsContact N-CD 3.34Å; G472-E475 PolarHBondContact N-OE1 3.02Å; G472-E475 WeakPolarHBondContact O-CB 3.41Å; G472-E475 PolarHBondContact O-N 3.35Å; G472-N544 CarbonylContact C-O 3.58Å; G472-N544 VanDerWaalsContact CA-O 3.28Å; G472-N544 WeakPolarHBondContact CA-O 3.24Å
473K82.3Confident88Confident26 Ų2633.5 Ų33.511%0.11317%0.166CC..THydrogen-bonded Turntrans-41.7-39.6-173.8178.1160.8-179166.50116.2L324 L327 Y328 E538 N544L324-K473 HydrophobicContact CD2-CG 3.75Å; L324-K473 WeakPolarHBondContact CD2-O 3.21Å; L324-K473 WeakPolarHBondContact CG-O 3.21Å; L327-K473 HydrophobicContact CD1-CD 4.19Å; L327-K473 HydrophobicContact CD1-CG 4.05Å; Y328-K473 PolarHBondContact OH-NZ 3.47Å; K473-E538 HydrophobicContact CD-CB 4.4Å; K473-E538 IonicContact NZ-OE1 2.75Å; K473-E538 PolarHBondContact NZ-OE1 3.06Å; K473-E538 IonicContact NZ-OE2 2.76Å; K473-E538 PolarHBondContact NZ-OE2 3.26Å; K473-N544 PolarHBondContact N-O 3.49Å
474F82.4Confident87.8Confident117 Ų11735.5 Ų35.551%0.51316%0.162SC..THydrogen-bonded Turntrans-103.55.4-173.9-56.6-71.1000114.6G472 N544G472-F474 PolarHBondContact O-N 3.48Å; F474-N544 WeakPolarHBondContact CD2-OD1 3.28Å; F474-N544 WeakPolarHBondContact CE2-OD1 3.33Å
475E82.8Confident87.6Confident32 Ų3238.3 Ų38.315%0.1518%0.179CC..  trans-71.6162.6175-75.1173.9-126.900112.7T323 S471 G472 R920T323-E475 PolarHBondContact N-O 3.3Å; T323-E475 VanDerWaalsContact N-O 3.15Å; T323-E475 PolarHBondContact OG1-O 3.1Å; S471-E475 WeakPolarHBondContact CA-OE2 3.43Å; S471-E475 WeakPolarHBondContact CB-OE2 3.32Å; S471-E475 PolarHBondContact OG-OE2 3.26Å; G472-E475 VanDerWaalsContact N-CD 3.34Å; G472-E475 PolarHBondContact N-OE1 3.02Å; G472-E475 WeakPolarHBondContact O-CB 3.41Å; G472-E475 PolarHBondContact O-N 3.35Å; E475-R920 IonicContact OE2-NH2 3.75Å
476R82.7Confident87.6Confident78 Ų7839.2 Ų39.229%0.29418%0.184SC..EExtended strand (participates in β ladder)trans-146.5136.6-178.9-58.4173.473.1177.11.4107.5F320 I321 R322 S927F320-R476 HydrophobicContact CB-CB 4.34Å; I321-R476 CarbonylContact O-C 3.47Å; I321-R476 VanDerWaalsContact O-CA 3.27Å; I321-R476 WeakPolarHBondContact O-CA 3.35Å; R322-R476 HydrophobicContact CG-CG 4.29Å; R476-S927 WeakPolarHBondContact O-CB 3.49Å
477L84.3Confident87.6Confident18 Ų1837.7 Ų37.79%0.09418%0.181CC..EExtended strand (participates in β ladder)trans-99.5128.7170.7-173.775.9000108.5F320 I321 F468 E481 L482 L522F320-L477 CarbonylContact C-O 3.21Å; F320-L477 WeakPolarHBondContact CA-O 3.13Å; I321-L477 PolarHBondContact N-O 3.45Å; I321-L477 PolarHBondContact O-N 3.47Å; F468-L477 HydrophobicContact CD2-CB 4.19Å; L477-E481 HydrophobicContact CD1-CB 3.88Å; L477-E481 HydrophobicContact CG-CB 4.44Å; L477-L482 HydrophobicContact CD2-CB 4.27Å; L477-L482 HydrophobicContact CD2-CD1 4.18Å; L477-L522 HydrophobicContact CD2-CD2 3.56Å
478S84.1Confident87.8Confident1 Ų135.7 Ų35.71%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-79.3153.8172.364.10000112.2C319 A480 E481 L482 S927C319-S478 WeakPolarHBondContact O-CA 3.43Å; S478-A480 PolarHBondContact O-N 3.18Å; S478-E481 PolarHBondContact N-OE2 2.89Å; S478-E481 PolarHBondContact O-N 3.2Å; S478-E481 WeakPolarHBondContact OG-CB 3.27Å; S478-E481 WeakPolarHBondContact OG-CG 3.23Å; S478-E481 PolarHBondContact OG-N 3.42Å; S478-E481 PolarHBondContact OG-OE1 3.08Å; S478-L482 PolarHBondContact O-N 2.72Å; S478-L482 VanDerWaalsContact O-N 3.1Å; S478-S927 VanDerWaalsContact CB-OG 3.22Å; S478-S927 WeakPolarHBondContact CB-OG 3.2Å; S478-S927 PolarHBondContact N-OG 3.48Å; S478-S927 PolarHBondContact OG-OG 2.95Å
479L85.6Confident87.9Confident18 Ų1838.2 Ų38.29%0.09418%0.179CC..Hα-helixtrans-60.4-35.8168.6172.855.7000111.1P316 C319 E481 L482 M483 T519P316-L479 HydrophobicContact CB-CB 4.46Å; P316-L479 HydrophobicContact CB-CD2 4.07Å; P316-L479 HydrophobicContact CB-CG 4.06Å; C319-L479 HydrophobicContact CB-CB 3.88Å; C319-L479 HydrophobicContact CB-CD2 4.33Å; C319-L479 PolarHBondContact O-N 2.72Å; L479-E481 PolarHBondContact O-N 2.99Å; L479-L482 PolarHBondContact O-N 3.43Å; L479-M483 HydrophobicContact CD1-CG 3.49Å; L479-M483 VanDerWaalsContact CD1-CG 3.49Å; L479-M483 HydrophobicContact CD1-SD 4.34Å; L479-M483 HydrophobicContact CG-CG 4.19Å; L479-M483 WeakPolarHBondContact O-CB 3.14Å; L479-M483 WeakPolarHBondContact O-CG 3.32Å; L479-M483 PolarHBondContact O-N 2.94Å; L479-T519 WeakPolarHBondContact CD1-OG1 3.44Å
480A84.5Confident88Confident17 Ų1740.7 Ų40.714%0.1419%0.193CC..Hα-helixtrans-57.5-44.2172.100000112.8P316 S478 L482 M483 W484 F986P316-A480 PolarHBondContact O-N 3.41Å; S478-A480 PolarHBondContact O-N 3.18Å; A480-L482 VanDerWaalsContact C-N 3.32Å; A480-L482 PolarHBondContact O-N 3.03Å; A480-M483 PolarHBondContact O-N 2.8Å; A480-W484 PolarHBondContact O-N 3.08Å; A480-F986 HydrophobicContact CB-CE1 4.14Å; A480-F986 HydrophobicContact CB-CZ 4.03Å
481E85.6Confident88.2Confident19 Ų1938.8 Ų38.89%0.08918%0.184CC..Hα-helixtrans-67.9-29175.7-79143.3-131.700113.7K464 L477 S478 L479 S927 P985 F986K464-E481 WeakPolarHBondContact CE-O 3.14Å; K464-E481 PolarHBondContact NZ-O 2.98Å; L477-E481 HydrophobicContact CD1-CB 3.88Å; L477-E481 HydrophobicContact CG-CB 4.44Å; S478-E481 PolarHBondContact N-OE2 2.89Å; S478-E481 PolarHBondContact O-N 3.2Å; S478-E481 WeakPolarHBondContact OG-CB 3.27Å; S478-E481 WeakPolarHBondContact OG-CG 3.23Å; S478-E481 PolarHBondContact OG-N 3.42Å; S478-E481 PolarHBondContact OG-OE1 3.08Å; L479-E481 PolarHBondContact O-N 2.99Å; E481-S927 VanDerWaalsContact CD-OG 3.29Å; E481-S927 WeakPolarHBondContact OE1-CB 3.07Å; E481-S927 PolarHBondContact OE1-OG 2.96Å; E481-S927 PolarHBondContact OE2-OG 3.3Å; E481-P985 HydrophobicContact CG-CB 3.76Å; E481-F986 HydrophobicContact CG-CE1 4.08Å; E481-F986 HydrophobicContact CG-CZ 3.97Å
482L89Confident88.5Confident0 Ų041.3 Ų41.30%020%0.197CC..Hα-helixtrans-76.2-38.1177-174.160.3000111.9I321 F461 K464 L477 S478 L479 A480 L518I321-L482 HydrophobicContact CD1-CD2 4.14Å; F461-L482 HydrophobicContact CD2-CD1 3.87Å; F461-L482 HydrophobicContact CE2-CD1 3.99Å; K464-L482 HydrophobicContact CB-CD1 3.9Å; K464-L482 HydrophobicContact CG-CD1 4.23Å; L477-L482 HydrophobicContact CD2-CB 4.27Å; L477-L482 HydrophobicContact CD2-CD1 4.18Å; S478-L482 PolarHBondContact O-N 2.72Å; S478-L482 VanDerWaalsContact O-N 3.1Å; L479-L482 PolarHBondContact O-N 3.43Å; A480-L482 VanDerWaalsContact C-N 3.32Å; A480-L482 PolarHBondContact O-N 3.03Å; L482-L518 HydrophobicContact CD2-CB 3.97Å; L482-L518 HydrophobicContact CG-CB 4.35Å
483M89.5Confident88.9Confident26 Ų2642.3 Ų42.313%0.12820%0.201CC..Hα-helixtrans-84.5-14.9179-68-62-67.200114.3L479 A480 N485 M486 V488 T511 L514 L518L479-M483 HydrophobicContact CD1-CG 3.49Å; L479-M483 VanDerWaalsContact CD1-CG 3.49Å; L479-M483 HydrophobicContact CD1-SD 4.34Å; L479-M483 HydrophobicContact CG-CG 4.19Å; L479-M483 WeakPolarHBondContact O-CB 3.14Å; L479-M483 WeakPolarHBondContact O-CG 3.32Å; L479-M483 PolarHBondContact O-N 2.94Å; A480-M483 PolarHBondContact O-N 2.8Å; M483-N485 PolarHBondContact O-N 3.04Å; M483-M486 HydrophobicContact CE-CB 4.42Å; M483-M486 WeakPolarHBondContact O-CB 3.43Å; M483-M486 PolarHBondContact O-N 2.89Å; M483-M486 HydrophobicContact SD-CG 4.46Å; M483-V488 HydrophobicContact CE-CG2 4.16Å; M483-T511 HydrophobicContact CE-CG2 3.77Å; M483-L514 HydrophobicContact CE-CB 4.08Å; M483-L514 HydrophobicContact CE-CD2 4.08Å; M483-L514 HydrophobicContact CE-CG 4.06Å; M483-L514 HydrophobicContact SD-CG 4.36Å; M483-L518 HydrophobicContact SD-CD1 3.95Å
484W88.8Confident89.4Confident98 Ų9841.1 Ų41.137%0.37120%0.195SC..THydrogen-bonded Turntrans-52.3132.3175.2-174-105.6000111H460 A480 M486 F986H460-W484 PolarHBondContact CE1-O 3.03Å; H460-W484 PolarHBondContact ND1-O 3.32Å; A480-W484 PolarHBondContact O-N 3.08Å; W484-M486 PolarHBondContact O-N 2.9Å; W484-M486 VanDerWaalsContact O-N 3.12Å; W484-F986 HydrophobicContact CB-CD1 4.15Å; W484-F986 HydrophobicContact CB-CE1 4.47Å; W484-F986 HydrophobicContact CD2-CB 4.2Å; W484-F986 AromaticContact CD2-CD1 3.64Å; W484-F986 HydrophobicContact CD2-CD1 3.64Å; W484-F986 HydrophobicContact CD2-CG 4.4Å; W484-F986 HydrophobicContact CE3-CB 4.42Å; W484-F986 AromaticContact CE3-CD1 3.58Å; W484-F986 HydrophobicContact CE3-CD1 3.58Å; W484-F986 HydrophobicContact CE3-CE1 4.33Å; W484-F986 HydrophobicContact CE3-CG 4.37Å; W484-F986 AromaticContact CG-CD1 3.9Å; W484-F986 HydrophobicContact CG-CD1 3.9Å; W484-F986 HydrophobicContact CH2-CB 4.31Å; W484-F986 HydrophobicContact CZ2-CB 4.07Å; W484-F986 HydrophobicContact CZ3-CB 4.48Å; W484-F986 HydrophobicContact CZ3-CD1 4.21Å
485N90.4Very high89.8Confident98 Ų9837.4 Ų37.452%0.52418%0.179SC..THydrogen-bonded Turntrans56.614.8-175.8-64.1-4.8000116.6H456 M483H456-N485 PolarHBondContact NE2-O 3.32Å; M483-N485 PolarHBondContact O-N 3.04Å
486M93.6Very high90Very high19 Ų1941.3 Ų41.39%0.09420%0.199CC..  trans-74.4128.7170-78.2-76.4165.300111.4N457 H460 F461 M483 W484 V488 L518N457-M486 HydrophobicContact CB-SD 3.82Å; N457-M486 WeakPolarHBondContact O-CE 3.39Å; H460-M486 HydrophobicContact CB-CE 4.17Å; F461-M486 HydrophobicContact CB-CE 4Å; M483-M486 HydrophobicContact CE-CB 4.42Å; M483-M486 WeakPolarHBondContact O-CB 3.43Å; M483-M486 PolarHBondContact O-N 2.89Å; M483-M486 HydrophobicContact SD-CG 4.46Å; W484-M486 PolarHBondContact O-N 2.9Å; W484-M486 VanDerWaalsContact O-N 3.12Å; M486-V488 PolarHBondContact O-N 2.7Å; M486-V488 VanDerWaalsContact O-N 3.17Å; M486-L518 HydrophobicContact CE-CD1 3.93Å; M486-L518 HydrophobicContact CG-CD1 4.18Å; M486-L518 HydrophobicContact SD-CD1 3.85Å
487K95.4Very high90.2Very high105 Ų10540.4 Ų40.446%0.45721%0.205SC..  trans-83.787.5173.7-64.7180177.3-1740109.8H456 N457 N489 D490H456-K487 HydrophobicContact CB-CD 4.45Å; N457-K487 PolarHBondContact ND2-O 2.81Å; N457-K487 PolarHBondContact OD1-N 3.31Å; K487-N489 VanDerWaalsContact C-N 3.29Å; K487-N489 PolarHBondContact O-N 2.94Å; K487-D490 HydrophobicContact CB-CB 4.29Å; K487-D490 WeakPolarHBondContact CB-OD1 3.46Å; K487-D490 VanDerWaalsContact CB-OD2 3.25Å; K487-D490 WeakPolarHBondContact CB-OD2 3.39Å; K487-D490 WeakPolarHBondContact CD-OD2 3.44Å; K487-D490 PolarHBondContact O-N 3.48Å
488V93.9Very high90Very high18 Ų1847 Ų4711%0.10923%0.233CC..G310 helixtrans-60.3-35.6-174.1-175.80000112.8M483 M486 D490 C491 L494 L507 R510 T511 L514M483-V488 HydrophobicContact CE-CG2 4.16Å; M486-V488 PolarHBondContact O-N 2.7Å; M486-V488 VanDerWaalsContact O-N 3.17Å; V488-D490 VanDerWaalsContact C-N 3.34Å; V488-D490 PolarHBondContact O-N 3.37Å; V488-C491 PolarHBondContact O-N 2.99Å; V488-L494 HydrophobicContact CG1-CD1 4.1Å; V488-L507 HydrophobicContact CB-CD1 4.35Å; V488-L507 HydrophobicContact CG1-CD1 4.39Å; V488-R510 HydrophobicContact CG1-CB 3.68Å; V488-T511 HydrophobicContact CG2-CG2 4.37Å; V488-L514 HydrophobicContact CB-CD2 4.36Å; V488-L514 HydrophobicContact CG1-CD2 4.27Å; V488-L514 HydrophobicContact CG2-CD2 4.24Å
489N93.1Very high89.7Confident55 Ų5552.6 Ų52.629%0.29427%0.267SS..G310 helixtrans-80.7-7.6-176.7-75.6-37.8000114.6K487 C491 K495 R510K487-N489 VanDerWaalsContact C-N 3.29Å; K487-N489 PolarHBondContact O-N 2.94Å; N489-C491 VanDerWaalsContact C-N 3.26Å; N489-K495 WeakPolarHBondContact O-CE 3.42Å; N489-K495 PolarHBondContact O-NZ 2.88Å; N489-R510 PolarHBondContact OD1-NH1 3.03Å
490D95.1Very high89.4Confident55 Ų5555 Ų5529%0.29430%0.296SS..G310 helixtrans-71.2-27.3170.9-60.612.5000110.5G453 S454 K487 V488 D492G453-D490 WeakPolarHBondContact CA-O 3.49Å; S454-D490 WeakPolarHBondContact CB-OD2 3.29Å; S454-D490 PolarHBondContact OG-OD2 3.43Å; K487-D490 HydrophobicContact CB-CB 4.29Å; K487-D490 WeakPolarHBondContact CB-OD1 3.46Å; K487-D490 VanDerWaalsContact CB-OD2 3.25Å; K487-D490 WeakPolarHBondContact CB-OD2 3.39Å; K487-D490 WeakPolarHBondContact CD-OD2 3.44Å; K487-D490 PolarHBondContact O-N 3.48Å; V488-D490 VanDerWaalsContact C-N 3.34Å; V488-D490 PolarHBondContact O-N 3.37Å; D490-D492 PolarHBondContact O-N 3.49Å
491C95.1Very high89.4Confident2 Ų266.1 Ų66.11%0.01434%0.335CS..  trans-76.782.2-178.6-66.10000111.6W452 V488 N489 W493 L494W452-C491 PolarHBondContact O-SG 3.39Å; W452-C491 VanDerWaalsContact O-SG 3.36Å; V488-C491 PolarHBondContact O-N 2.99Å; N489-C491 VanDerWaalsContact C-N 3.26Å; C491-W493 PolarHBondContact O-N 3.02Å; C491-W493 VanDerWaalsContact O-N 3.12Å; C491-L494 HydrophobicContact CB-CD1 3.48Å; C491-L494 VanDerWaalsContact CB-CD1 3.48Å; C491-L494 HydrophobicContact CB-CG 3.78Å; C491-L494 WeakPolarHBondContact O-CB 3.49Å; C491-L494 PolarHBondContact O-N 3.31Å
492D94.1Very high89.6Confident66 Ų6668.5 Ų68.535%0.35335%0.347SS..G310 helixtrans-50.5-35.5179.4-109.619.7000114.1D490 L494 K495 K498D490-D492 PolarHBondContact O-N 3.49Å; D492-L494 PolarHBondContact O-N 3.08Å; D492-L494 VanDerWaalsContact O-N 3.12Å; D492-K495 WeakPolarHBondContact O-CB 3.26Å; D492-K495 PolarHBondContact O-N 3.35Å; D492-K495 WeakPolarHBondContact OD1-CD 3.38Å; D492-K495 VanDerWaalsContact OD1-CE 3.3Å; D492-K495 WeakPolarHBondContact OD1-CE 3.4Å; D492-K495 IonicContact OD1-NZ 3.22Å; D492-K495 PolarHBondContact OD1-NZ 3.35Å; D492-K498 WeakPolarHBondContact OD2-CE 3.26Å; D492-K498 IonicContact OD2-NZ 2.66Å; D492-K498 PolarHBondContact OD2-NZ 2.82Å
493W94.1Very high89.7Confident21 Ų2171.7 Ų71.78%0.0837%0.368CS..G310 helixtrans-65.3-10.9178.968.3-88.6000115F361 M385 L388 F389 E450 M451 C491 I513 L514 F517F361-W493 HydrophobicContact CZ-CH2 4.17Å; F361-W493 AromaticContact CZ-CZ3 3.99Å; F361-W493 HydrophobicContact CZ-CZ3 3.99Å; M385-W493 HydrophobicContact CE-CE3 3.69Å; M385-W493 HydrophobicContact CE-CZ3 3.77Å; M385-W493 WeakPolarHBondContact CE-O 3.43Å; M385-W493 HydrophobicContact CG-CE3 3.93Å; M385-W493 HydrophobicContact CG-CZ3 4.44Å; M385-W493 HydrophobicContact SD-CE3 3.74Å; M385-W493 HydrophobicContact SD-CZ3 3.68Å; L388-W493 HydrophobicContact CD1-CB 3.45Å; L388-W493 VanDerWaalsContact CD1-CB 3.45Å; L388-W493 HydrophobicContact CD1-CG 4.24Å; F389-W493 HydrophobicContact CE2-CZ3 4.38Å; E450-W493 VanDerWaalsContact O-CD1 3.28Å; M451-W493 PolarHBondContact O-NE1 3.28Å; C491-W493 PolarHBondContact O-N 3.02Å; C491-W493 VanDerWaalsContact O-N 3.12Å; W493-I513 HydrophobicContact CH2-CG2 4.45Å; W493-I513 HydrophobicContact CZ3-CG2 4.22Å; W493-L514 HydrophobicContact CZ2-CD1 4.03Å; W493-F517 HydrophobicContact CH2-CB 3.8Å; W493-F517 HydrophobicContact CH2-CD1 4.05Å; W493-F517 HydrophobicContact CH2-CD2 4.37Å; W493-F517 AromaticContact CH2-CG 3.8Å; W493-F517 HydrophobicContact CH2-CG 3.8Å; W493-F517 HydrophobicContact CZ2-CB 4.34Å; W493-F517 AromaticContact CZ2-CD1 3.78Å; W493-F517 HydrophobicContact CZ2-CD1 3.78Å; W493-F517 HydrophobicContact CZ2-CE1 4.27Å; W493-F517 HydrophobicContact CZ2-CG 4.04Å
494L92.7Very high89.8Confident0 Ų075.9 Ų75.90%040%0.397CS..G310 helixtrans-86.9-14.8173.1-59.1174.7000113.1R381 V488 C491 D492 R510 I513 L514R381-L494 WeakPolarHBondContact CD-O 3.49Å; R381-L494 PolarHBondContact NH1-O 3.45Å; V488-L494 HydrophobicContact CG1-CD1 4.1Å; C491-L494 HydrophobicContact CB-CD1 3.48Å; C491-L494 VanDerWaalsContact CB-CD1 3.48Å; C491-L494 HydrophobicContact CB-CG 3.78Å; C491-L494 WeakPolarHBondContact O-CB 3.49Å; C491-L494 PolarHBondContact O-N 3.31Å; D492-L494 PolarHBondContact O-N 3.08Å; D492-L494 VanDerWaalsContact O-N 3.12Å; L494-R510 HydrophobicContact CB-CB 4.43Å; L494-R510 HydrophobicContact CB-CG 4.18Å; L494-R510 HydrophobicContact CD1-CB 4.3Å; L494-I513 HydrophobicContact CD2-CB 4Å; L494-I513 HydrophobicContact CD2-CG2 3.53Å; L494-L514 HydrophobicContact CD1-CB 3.85Å; L494-L514 HydrophobicContact CD1-CD2 4.28Å; L494-L514 HydrophobicContact CD1-CG 4.44Å
495K91.4Very high89.7Confident40 Ų4075.5 Ų75.517%0.17441%0.409CS..  trans-83.8153-169-58.5179.8-173.2168.90111.4N489 D492 K498N489-K495 WeakPolarHBondContact O-CE 3.42Å; N489-K495 PolarHBondContact O-NZ 2.88Å; D492-K495 WeakPolarHBondContact O-CB 3.26Å; D492-K495 PolarHBondContact O-N 3.35Å; D492-K495 WeakPolarHBondContact OD1-CD 3.38Å; D492-K495 VanDerWaalsContact OD1-CE 3.3Å; D492-K495 WeakPolarHBondContact OD1-CE 3.4Å; D492-K495 IonicContact OD1-NZ 3.22Å; D492-K495 PolarHBondContact OD1-NZ 3.35Å; K495-K498 HydrophobicContact CD-CG 4.43Å
496I87.5Confident89.7Confident113 Ų11372.5 Ų72.558%0.57939%0.392SS*.SBendtrans-99.1-62.6164.2-65.6178000107.9R381R381-I496 HydrophobicContact CB-CD1 4.29Å; R381-I496 HydrophobicContact CB-CG1 4.08Å; R381-I496 HydrophobicContact CG-CG1 4Å
497S85.9Confident89.5Confident60 Ų6074.7 Ų74.742%0.4240%0.404SS..  trans-94.1143.5161.6-177.30000110.9T499S497-T499 PolarHBondContact OG-N 3.5Å; S497-T499 PolarHBondContact OG-O 3.31Å; S497-T499 PolarHBondContact OG-OG1 3.25Å
498K80.3Confident89.2Confident156 Ų15672.5 Ų72.568%0.67841%0.406SS*.SBendtrans-81.7-21.8167.9-61.3-163.3-171.8-166.50112.9D492 K495D492-K498 WeakPolarHBondContact OD2-CE 3.26Å; D492-K498 IonicContact OD2-NZ 2.66Å; D492-K498 PolarHBondContact OD2-NZ 2.82Å; K495-K498 HydrophobicContact CD-CG 4.43Å
499T78.3Confident88.9Confident118 Ų11875.3 Ų75.372%0.72442%0.415SS*.SBendtrans-110.8159.9-17452.50000112.1S497S497-T499 PolarHBondContact OG-N 3.5Å; S497-T499 PolarHBondContact OG-O 3.31Å; S497-T499 PolarHBondContact OG-OG1 3.25Å
500G79.9Confident88.8Confident68 Ų6873.3 Ų73.370%0.70140%0.403SS*.SBendtrans96.9169.5179.100000114.8
501R84.6Confident88.6Confident252 Ų25272.9 Ų72.995%0.95140%0.403SS*.  trans-66.7145.8174.1-73.7-178175.5170.9-0.4110.3P503R501-P503 WeakPolarHBondContact O-CD 3.41Å
502I87.9Confident88.3Confident68 Ų6875.4 Ų75.435%0.34941%0.414SS..  trans-105.2111.1-178.8-57.7165.9000108.8E506 L507I502-E506 HydrophobicContact CG2-CB 4.3Å; I502-E506 HydrophobicContact CG2-CG 3.94Å; I502-L507 HydrophobicContact CG2-CB 4.07Å
503P91.9Very high88.1Confident68 Ų6872.3 Ų72.344%0.44240%0.397SS..  trans-60.7149.1174-25.335.3000112.3R501 S505 E506 L507R501-P503 WeakPolarHBondContact O-CD 3.41Å; P503-S505 PolarHBondContact O-N 2.65Å; P503-E506 HydrophobicContact CB-CB 4.43Å; P503-E506 PolarHBondContact O-N 2.96Å; P503-E506 VanDerWaalsContact O-N 3.09Å; P503-L507 PolarHBondContact O-N 3.08Å
504P91Very high88Confident114 Ų11471.4 Ų71.474%0.7439%0.394SS*.Hα-helixtrans-56.2-32.9176.4-27.435.7000113.9L507 A508P504-L507 PolarHBondContact O-N 2.89Å; P504-A508 WeakPolarHBondContact O-CB 3.5Å; P504-A508 PolarHBondContact O-N 3.34Å
505S88.1Confident88Confident89 Ų8971.4 Ų71.462%0.62240%0.395SS*.Hα-helixtrans-65.2-44.6174.848.30000113P503 A508 Y509P503-S505 PolarHBondContact O-N 2.65Å; S505-A508 PolarHBondContact O-N 2.91Å; S505-Y509 WeakPolarHBondContact O-CB 3.45Å; S505-Y509 PolarHBondContact O-N 3.37Å
506E90.1Very high87.9Confident35 Ų3571.4 Ų71.416%0.16440%0.395CS..Hα-helixtrans-65.3-40.8174.8168.263.6-178.500111.1R381 I502 P503 Y509 R510R381-E506 IonicContact CZ-OE1 3.18Å; R381-E506 IonicContact CZ-OE2 2.7Å; R381-E506 IonicContact NH1-OE1 3.59Å; R381-E506 PolarHBondContact NH1-OE1 3.25Å; R381-E506 IonicContact NH1-OE2 2.76Å; R381-E506 PolarHBondContact NH1-OE2 3.13Å; R381-E506 IonicContact NH2-OE1 2.67Å; R381-E506 PolarHBondContact NH2-OE1 3.33Å; R381-E506 IonicContact NH2-OE2 3.11Å; R381-E506 PolarHBondContact NH2-OE2 3.22Å; I502-E506 HydrophobicContact CG2-CB 4.3Å; I502-E506 HydrophobicContact CG2-CG 3.94Å; P503-E506 HydrophobicContact CB-CB 4.43Å; P503-E506 PolarHBondContact O-N 2.96Å; P503-E506 VanDerWaalsContact O-N 3.09Å; E506-Y509 PolarHBondContact O-N 3.11Å; E506-R510 VanDerWaalsContact O-CG 3.32Å; E506-R510 WeakPolarHBondContact O-CG 3.34Å; E506-R510 PolarHBondContact O-N 3.39Å; E506-R510 IonicContact OE1-CZ 3.67Å; E506-R510 IonicContact OE1-NE 2.72Å; E506-R510 PolarHBondContact OE1-NE 3.01Å; E506-R510 IonicContact OE1-NH2 2.93Å; E506-R510 PolarHBondContact OE1-NH2 3.45Å
507L89.5Confident88.1Confident66 Ų6666 Ų6635%0.34637%0.367SS..Hα-helixtrans-64-42.8174.5-178.758.2000111.7V488 I502 P503 P504 Y509 R510 T511V488-L507 HydrophobicContact CB-CD1 4.35Å; V488-L507 HydrophobicContact CG1-CD1 4.39Å; I502-L507 HydrophobicContact CG2-CB 4.07Å; P503-L507 PolarHBondContact O-N 3.08Å; P504-L507 PolarHBondContact O-N 2.89Å; L507-Y509 VanDerWaalsContact C-N 3.34Å; L507-Y509 PolarHBondContact O-N 3.05Å; L507-R510 PolarHBondContact O-N 3.23Å; L507-T511 WeakPolarHBondContact O-CB 3.18Å; L507-T511 PolarHBondContact O-N 2.85Å; L507-T511 PolarHBondContact O-OG1 3.49Å
508A87.8Confident88.5Confident59 Ų5963.3 Ų63.349%0.48835%0.348SS..Hα-helixtrans-60.9-42.3174.900000111.6P504 S505 T511 Q512P504-A508 WeakPolarHBondContact O-CB 3.5Å; P504-A508 PolarHBondContact O-N 3.34Å; S505-A508 PolarHBondContact O-N 2.91Å; A508-T511 WeakPolarHBondContact O-CB 3.35Å; A508-T511 PolarHBondContact O-N 3.22Å; A508-Q512 PolarHBondContact O-N 2.81Å
509Y88.4Confident89Confident77 Ų7756 Ų5630%0.30232%0.317SS..Hα-helixtrans-67.5-42.3178.1-168.2-118.8000112.7S505 E506 L507 T511 Q512 I513S505-Y509 WeakPolarHBondContact O-CB 3.45Å; S505-Y509 PolarHBondContact O-N 3.37Å; E506-Y509 PolarHBondContact O-N 3.11Å; L507-Y509 VanDerWaalsContact C-N 3.34Å; L507-Y509 PolarHBondContact O-N 3.05Å; Y509-T511 VanDerWaalsContact C-N 3.29Å; Y509-T511 PolarHBondContact O-N 3.2Å; Y509-Q512 WeakPolarHBondContact O-CB 3.45Å; Y509-Q512 PolarHBondContact O-N 3.46Å; Y509-I513 HydrophobicContact CD1-CD1 3.91Å; Y509-I513 HydrophobicContact CE1-CD1 3.63Å; Y509-I513 WeakPolarHBondContact O-CG1 3.47Å; Y509-I513 PolarHBondContact O-N 3.09Å
510R91.6Very high89.7Confident13 Ų1350.5 Ų50.55%0.04928%0.283CS..Hα-helixtrans-57.8-42.4169.8-68.9173.9-170.6-173.51.8111.7V488 N489 L494 E506 L507 I513 L514V488-R510 HydrophobicContact CG1-CB 3.68Å; N489-R510 PolarHBondContact OD1-NH1 3.03Å; L494-R510 HydrophobicContact CB-CB 4.43Å; L494-R510 HydrophobicContact CB-CG 4.18Å; L494-R510 HydrophobicContact CD1-CB 4.3Å; E506-R510 VanDerWaalsContact O-CG 3.32Å; E506-R510 WeakPolarHBondContact O-CG 3.34Å; E506-R510 PolarHBondContact O-N 3.39Å; E506-R510 IonicContact OE1-CZ 3.67Å; E506-R510 IonicContact OE1-NE 2.72Å; E506-R510 PolarHBondContact OE1-NE 3.01Å; E506-R510 IonicContact OE1-NH2 2.93Å; E506-R510 PolarHBondContact OE1-NH2 3.45Å; L507-R510 PolarHBondContact O-N 3.23Å; R510-I513 PolarHBondContact O-N 3.06Å; R510-L514 WeakPolarHBondContact O-CB 3.33Å; R510-L514 PolarHBondContact O-N 2.94Å
511T90.1Very high90.4Very high46 Ų4647.2 Ų47.228%0.28225%0.249SC..Hα-helixtrans-64-40.5178.7-55.50000111.4M483 V488 L507 A508 Y509 G515M483-T511 HydrophobicContact CE-CG2 3.77Å; V488-T511 HydrophobicContact CG2-CG2 4.37Å; L507-T511 WeakPolarHBondContact O-CB 3.18Å; L507-T511 PolarHBondContact O-N 2.85Å; L507-T511 PolarHBondContact O-OG1 3.49Å; A508-T511 WeakPolarHBondContact O-CB 3.35Å; A508-T511 PolarHBondContact O-N 3.22Å; Y509-T511 VanDerWaalsContact C-N 3.29Å; Y509-T511 PolarHBondContact O-N 3.2Å; T511-G515 PolarHBondContact O-N 2.93Å
512Q88.2Confident90.8Very high54 Ų5435.2 Ų35.225%0.25220%0.204SC..Hα-helixtrans-61.6-48.9174.2178.2-176.1-28.800111.7P313 A508 Y509 G515 Q516P313-Q512 HydrophobicContact CG-CG 4.18Å; A508-Q512 PolarHBondContact O-N 2.81Å; Y509-Q512 WeakPolarHBondContact O-CB 3.45Å; Y509-Q512 PolarHBondContact O-N 3.46Å; Q512-G515 PolarHBondContact O-N 3.32Å; Q512-Q516 WeakPolarHBondContact O-CG 3.5Å; Q512-Q516 PolarHBondContact O-N 3.44Å
513I90.2Very high90.9Very high1 Ų133.4 Ų33.41%0.00520%0.195CC..Hα-helixtrans-63.7-47-179.8-63.1168.9000110.7F361 F382 M385 W493 L494 Y509 R510 G515 Q516 F517F361-I513 HydrophobicContact CD1-CG2 4.06Å; F361-I513 HydrophobicContact CE1-CG2 3.56Å; F361-I513 WeakPolarHBondContact CE1-O 3.12Å; F361-I513 HydrophobicContact CZ-CG2 4.17Å; F382-I513 HydrophobicContact CE1-CD1 4.34Å; F382-I513 HydrophobicContact CE1-CG1 4.4Å; F382-I513 HydrophobicContact CE1-CG2 4.23Å; F382-I513 HydrophobicContact CZ-CD1 3.85Å; F382-I513 HydrophobicContact CZ-CG1 4.04Å; M385-I513 HydrophobicContact CE-CG2 4.15Å; W493-I513 HydrophobicContact CH2-CG2 4.45Å; W493-I513 HydrophobicContact CZ3-CG2 4.22Å; L494-I513 HydrophobicContact CD2-CB 4Å; L494-I513 HydrophobicContact CD2-CG2 3.53Å; Y509-I513 HydrophobicContact CD1-CD1 3.91Å; Y509-I513 HydrophobicContact CE1-CD1 3.63Å; Y509-I513 WeakPolarHBondContact O-CG1 3.47Å; Y509-I513 PolarHBondContact O-N 3.09Å; R510-I513 PolarHBondContact O-N 3.06Å; I513-G515 VanDerWaalsContact C-N 3.28Å; I513-G515 PolarHBondContact O-N 2.97Å; I513-Q516 PolarHBondContact O-N 3.04Å; I513-F517 PolarHBondContact O-N 2.91Å
514L93.4Very high90.7Very high2 Ų230.3 Ų30.31%0.0118%0.176CC..Hα-helixtrans-61.6-39.6176.4-17456.1000111.4M483 V488 W493 L494 R510 F517 L518M483-L514 HydrophobicContact CE-CB 4.08Å; M483-L514 HydrophobicContact CE-CD2 4.08Å; M483-L514 HydrophobicContact CE-CG 4.06Å; M483-L514 HydrophobicContact SD-CG 4.36Å; V488-L514 HydrophobicContact CB-CD2 4.36Å; V488-L514 HydrophobicContact CG1-CD2 4.27Å; V488-L514 HydrophobicContact CG2-CD2 4.24Å; W493-L514 HydrophobicContact CZ2-CD1 4.03Å; L494-L514 HydrophobicContact CD1-CB 3.85Å; L494-L514 HydrophobicContact CD1-CD2 4.28Å; L494-L514 HydrophobicContact CD1-CG 4.44Å; R510-L514 WeakPolarHBondContact O-CB 3.33Å; R510-L514 PolarHBondContact O-N 2.94Å; L514-F517 HydrophobicContact CD1-CD1 4.34Å; L514-F517 PolarHBondContact O-N 2.89Å; L514-L518 HydrophobicContact CD1-CD1 4.13Å; L514-L518 HydrophobicContact CD1-CD2 4.45Å; L514-L518 HydrophobicContact CD1-CG 3.98Å; L514-L518 HydrophobicContact CG-CD1 4.04Å; L514-L518 HydrophobicContact CG-CG 4.28Å; L514-L518 WeakPolarHBondContact O-CG 3.41Å; L514-L518 PolarHBondContact O-N 2.93Å
515G90.9Very high90.8Very high1 Ų124.9 Ų24.91%0.0114%0.14CC..Hα-helixtrans-62.2-42.4175.200000113.3T511 Q512 I513 T519T511-G515 PolarHBondContact O-N 2.93Å; Q512-G515 PolarHBondContact O-N 3.32Å; I513-G515 VanDerWaalsContact C-N 3.28Å; I513-G515 PolarHBondContact O-N 2.97Å; G515-T519 WeakPolarHBondContact O-CB 3.44Å; G515-T519 PolarHBondContact O-N 3.14Å; G515-T519 PolarHBondContact O-OG1 3.42Å
516Q89.6Confident91.1Very high39 Ų3920.7 Ų20.718%0.18211%0.111CC..Hα-helixtrans-61.7-45.1173-73.3174.7-3600111.4F361 Q512 I513 W520F361-Q516 HydrophobicContact CD1-CB 3.94Å; F361-Q516 HydrophobicContact CE1-CB 4.28Å; Q512-Q516 WeakPolarHBondContact O-CG 3.5Å; Q512-Q516 PolarHBondContact O-N 3.44Å; I513-Q516 PolarHBondContact O-N 3.04Å; Q516-W520 WeakPolarHBondContact O-CB 3.1Å; Q516-W520 PolarHBondContact O-N 3.47Å
517F93.4Very high91.2Very high0 Ų019.3 Ų19.30%011%0.105CC..Hα-helixtrans-64.2-51.4178.5174-108000112.9F361 F389 M451 W493 I513 L514 T519 W520 L521F361-F517 HydrophobicContact CE1-CB 3.99Å; F361-F517 HydrophobicContact CZ-CB 4.09Å; F389-F517 HydrophobicContact CE1-CD2 4.09Å; F389-F517 AromaticContact CE1-CE2 3.98Å; F389-F517 HydrophobicContact CE1-CE2 3.98Å; F389-F517 AromaticContact CZ-CD2 3.78Å; F389-F517 HydrophobicContact CZ-CD2 3.78Å; F389-F517 AromaticContact CZ-CE2 3.9Å; F389-F517 HydrophobicContact CZ-CE2 3.9Å; M451-F517 HydrophobicContact CB-CE1 4.32Å; M451-F517 HydrophobicContact CB-CZ 4.14Å; M451-F517 HydrophobicContact CG-CZ 4.46Å; M451-F517 HydrophobicContact SD-CE2 4Å; M451-F517 HydrophobicContact SD-CZ 3.69Å; W493-F517 HydrophobicContact CH2-CB 3.8Å; W493-F517 HydrophobicContact CH2-CD1 4.05Å; W493-F517 HydrophobicContact CH2-CD2 4.37Å; W493-F517 AromaticContact CH2-CG 3.8Å; W493-F517 HydrophobicContact CH2-CG 3.8Å; W493-F517 HydrophobicContact CZ2-CB 4.34Å; W493-F517 AromaticContact CZ2-CD1 3.78Å; W493-F517 HydrophobicContact CZ2-CD1 3.78Å; W493-F517 HydrophobicContact CZ2-CE1 4.27Å; W493-F517 HydrophobicContact CZ2-CG 4.04Å; I513-F517 PolarHBondContact O-N 2.91Å; L514-F517 HydrophobicContact CD1-CD1 4.34Å; L514-F517 PolarHBondContact O-N 2.89Å; F517-T519 VanDerWaalsContact C-N 3.29Å; F517-T519 PolarHBondContact O-N 2.81Å; F517-W520 HydrophobicContact CD2-CE3 4.08Å; F517-W520 HydrophobicContact CD2-CZ3 4.39Å; F517-W520 HydrophobicContact CE2-CE3 4.02Å; F517-W520 AromaticContact CE2-CZ3 3.88Å; F517-W520 HydrophobicContact CE2-CZ3 3.88Å; F517-W520 CarbonylContact O-C 3.47Å; F517-W520 PolarHBondContact O-N 2.82Å; F517-L521 HydrophobicContact CE1-CD2 4.25Å; F517-L521 HydrophobicContact CZ-CD2 4.34Å; F517-L521 WeakPolarHBondContact O-CB 3.38Å; F517-L521 PolarHBondContact O-N 3.15Å
518L94.1Very high91.3Very high4 Ų416.8 Ų16.82%0.02110%0.095CC..Hα-helixtrans-65.9-32.9179.8-65-178.6000111.9W452 F461 L482 M483 M486 L514 L521 L522W452-L518 HydrophobicContact CZ3-CD2 4.43Å; F461-L518 HydrophobicContact CD2-CB 4.36Å; F461-L518 HydrophobicContact CD2-CD2 3.86Å; F461-L518 HydrophobicContact CE2-CB 4.21Å; F461-L518 HydrophobicContact CE2-CD2 4.18Å; F461-L518 HydrophobicContact CG-CD2 4.5Å; L482-L518 HydrophobicContact CD2-CB 3.97Å; L482-L518 HydrophobicContact CG-CB 4.35Å; M483-L518 HydrophobicContact SD-CD1 3.95Å; M486-L518 HydrophobicContact CE-CD1 3.93Å; M486-L518 HydrophobicContact CG-CD1 4.18Å; M486-L518 HydrophobicContact SD-CD1 3.85Å; L514-L518 HydrophobicContact CD1-CD1 4.13Å; L514-L518 HydrophobicContact CD1-CD2 4.45Å; L514-L518 HydrophobicContact CD1-CG 3.98Å; L514-L518 HydrophobicContact CG-CD1 4.04Å; L514-L518 HydrophobicContact CG-CG 4.28Å; L514-L518 WeakPolarHBondContact O-CG 3.41Å; L514-L518 PolarHBondContact O-N 2.93Å; L518-L521 HydrophobicContact CD2-CD2 4.32Å; L518-L521 PolarHBondContact O-N 3.32Å; L518-L522 PolarHBondContact O-N 2.91Å
519T90.8Very high91.5Very high2 Ų214 Ų141%0.0127%0.072CC..Hα-helixtrans-63.9-47.8171.2-62.30000111.4W306 I321 L479 G515 F517 L521 L522 D523W306-T519 HydrophobicContact CD2-CG2 3.58Å; W306-T519 HydrophobicContact CE3-CG2 3.93Å; W306-T519 HydrophobicContact CG-CG2 4.23Å; W306-T519 HydrophobicContact CH2-CG2 3.63Å; W306-T519 HydrophobicContact CZ2-CG2 3.25Å; W306-T519 HydrophobicContact CZ3-CG2 3.95Å; I321-T519 HydrophobicContact CD1-CG2 4.07Å; I321-T519 HydrophobicContact CG1-CG2 4.15Å; L479-T519 WeakPolarHBondContact CD1-OG1 3.44Å; G515-T519 WeakPolarHBondContact O-CB 3.44Å; G515-T519 PolarHBondContact O-N 3.14Å; G515-T519 PolarHBondContact O-OG1 3.42Å; F517-T519 VanDerWaalsContact C-N 3.29Å; F517-T519 PolarHBondContact O-N 2.81Å; T519-L521 PolarHBondContact O-N 3.42Å; T519-L522 PolarHBondContact O-N 3.29Å; T519-D523 VanDerWaalsContact O-CB 3.31Å; T519-D523 WeakPolarHBondContact O-CB 3.41Å; T519-D523 PolarHBondContact O-N 3.22Å
520W91.9Very high91.7Very high2 Ų210.3 Ų10.31%0.0086%0.058CC..Hα-helixtrans-61.7-34.1173.416890.6000112L338 L356 V360 L392 Q516 F517 L522 G524 F525L338-W520 HydrophobicContact CD2-CZ2 3.98Å; L356-W520 HydrophobicContact CD1-CZ2 3.8Å; L356-W520 HydrophobicContact CD2-CH2 4.48Å; L356-W520 HydrophobicContact CD2-CZ2 4.46Å; V360-W520 HydrophobicContact CB-CG 4.4Å; V360-W520 HydrophobicContact CG1-CB 4.04Å; V360-W520 HydrophobicContact CG1-CG 4.19Å; V360-W520 HydrophobicContact CG2-CB 4.41Å; V360-W520 HydrophobicContact CG2-CD2 3.65Å; V360-W520 HydrophobicContact CG2-CE3 4.19Å; V360-W520 HydrophobicContact CG2-CG 3.69Å; L392-W520 HydrophobicContact CD1-CH2 4.28Å; L392-W520 HydrophobicContact CD1-CZ3 4.42Å; Q516-W520 WeakPolarHBondContact O-CB 3.1Å; Q516-W520 PolarHBondContact O-N 3.47Å; F517-W520 HydrophobicContact CD2-CE3 4.08Å; F517-W520 HydrophobicContact CD2-CZ3 4.39Å; F517-W520 HydrophobicContact CE2-CE3 4.02Å; F517-W520 AromaticContact CE2-CZ3 3.88Å; F517-W520 HydrophobicContact CE2-CZ3 3.88Å; F517-W520 CarbonylContact O-C 3.47Å; F517-W520 PolarHBondContact O-N 2.82Å; W520-L522 VanDerWaalsContact C-N 3.34Å; W520-L522 PolarHBondContact O-N 3.12Å; W520-G524 CarbonylContact O-C 3.53Å; W520-G524 WeakPolarHBondContact O-CA 3.29Å; W520-G524 PolarHBondContact O-N 3.38Å; W520-F525 PolarHBondContact O-N 3.07Å; W520-F525 VanDerWaalsContact O-N 3.12Å
521L94.9Very high91.7Very high0 Ų013.8 Ų13.80%07%0.071CC..Iπ-helixtrans-68.4-34.5178.6-165.763000111.5L443 I447 W452 F461 F517 L518 T519 F525 V526L443-L521 HydrophobicContact CD2-CD1 3.78Å; L443-L521 HydrophobicContact CD2-CD2 4.34Å; L443-L521 HydrophobicContact CD2-CG 4.01Å; I447-L521 HydrophobicContact CD1-CD1 3.53Å; I447-L521 HydrophobicContact CG1-CD1 3.92Å; W452-L521 HydrophobicContact CH2-CD2 3.43Å; W452-L521 VanDerWaalsContact CH2-CD2 3.43Å; W452-L521 HydrophobicContact CZ2-CD2 4.28Å; W452-L521 HydrophobicContact CZ3-CD2 3.66Å; F461-L521 HydrophobicContact CD1-CD2 4.28Å; F461-L521 HydrophobicContact CE1-CD2 3.76Å; F461-L521 HydrophobicContact CE1-CG 3.96Å; F461-L521 HydrophobicContact CE2-CB 4.32Å; F461-L521 HydrophobicContact CE2-CD2 4.27Å; F461-L521 HydrophobicContact CE2-CG 4.49Å; F461-L521 HydrophobicContact CZ-CB 3.87Å; F461-L521 HydrophobicContact CZ-CD2 3.77Å; F461-L521 HydrophobicContact CZ-CG 3.72Å; F517-L521 HydrophobicContact CE1-CD2 4.25Å; F517-L521 HydrophobicContact CZ-CD2 4.34Å; F517-L521 WeakPolarHBondContact O-CB 3.38Å; F517-L521 PolarHBondContact O-N 3.15Å; L518-L521 HydrophobicContact CD2-CD2 4.32Å; L518-L521 PolarHBondContact O-N 3.32Å; T519-L521 PolarHBondContact O-N 3.42Å; L521-F525 HydrophobicContact CD1-CB 3.96Å; L521-F525 HydrophobicContact CD1-CG 4.22Å; L521-F525 VanDerWaalsContact O-CB 3.31Å; L521-F525 WeakPolarHBondContact O-CB 3.28Å; L521-V526 WeakPolarHBondContact O-CG2 3.48Å; L521-V526 PolarHBondContact O-N 3.49Å
522L93.3Very high91.6Very high0 Ų011.7 Ų11.70%06%0.058CC..Iπ-helixtrans-81.6-46.6174.4-162.869.8000112.8I321 F461 A465 F468 L477 L518 T519 W520 V526 V527I321-L522 HydrophobicContact CD1-CB 4.11Å; I321-L522 HydrophobicContact CD1-CD2 3.73Å; I321-L522 HydrophobicContact CD1-CG 4.42Å; I321-L522 HydrophobicContact CG2-CD2 4.25Å; F461-L522 HydrophobicContact CE2-CB 4.42Å; F461-L522 HydrophobicContact CZ-CB 4.21Å; F461-L522 HydrophobicContact CZ-CD1 4.3Å; A465-L522 HydrophobicContact CB-CD1 4.03Å; F468-L522 HydrophobicContact CB-CD2 4.38Å; F468-L522 HydrophobicContact CD1-CD1 4.04Å; F468-L522 HydrophobicContact CD1-CD2 4.15Å; F468-L522 HydrophobicContact CD1-CG 4.15Å; F468-L522 HydrophobicContact CD2-CD2 4.26Å; F468-L522 HydrophobicContact CE1-CG 4.37Å; F468-L522 HydrophobicContact CG-CD1 4.47Å; F468-L522 HydrophobicContact CG-CD2 4Å; F468-L522 HydrophobicContact CG-CG 4.5Å; L477-L522 HydrophobicContact CD2-CD2 3.56Å; L518-L522 PolarHBondContact O-N 2.91Å; T519-L522 PolarHBondContact O-N 3.29Å; W520-L522 VanDerWaalsContact C-N 3.34Å; W520-L522 PolarHBondContact O-N 3.12Å; L522-V526 HydrophobicContact CD1-CB 4.04Å; L522-V526 HydrophobicContact CD1-CG1 4.13Å; L522-V526 HydrophobicContact CD1-CG2 4.17Å; L522-V526 WeakPolarHBondContact O-CB 3.47Å; L522-V526 PolarHBondContact O-N 3.04Å; L522-V527 WeakPolarHBondContact O-CB 3.33Å; L522-V527 VanDerWaalsContact O-CG2 3.32Å; L522-V527 WeakPolarHBondContact O-CG2 3.37Å; L522-V527 PolarHBondContact O-N 3.45Å
523D88.9Confident91.7Very high29 Ų299.6 Ų9.616%0.1555%0.049CC..Iπ-helixtrans-82-38.2-175.7177.979000114.1W306 R307 I321 T519 V527W306-D523 HydrophobicContact CH2-CB 3.77Å; W306-D523 HydrophobicContact CZ2-CB 3.61Å; W306-D523 VanDerWaalsContact CZ2-CG 3.44Å; W306-D523 WeakPolarHBondContact CZ2-OD2 3.2Å; R307-D523 IonicContact CZ-OD2 2.71Å; R307-D523 IonicContact NE-OD2 3.47Å; R307-D523 PolarHBondContact NE-OD2 2.89Å; R307-D523 IonicContact NH2-OD2 3.53Å; R307-D523 PolarHBondContact NH2-OD2 3.03Å; I321-D523 HydrophobicContact CG2-CB 4.38Å; T519-D523 VanDerWaalsContact O-CB 3.31Å; T519-D523 WeakPolarHBondContact O-CB 3.41Å; T519-D523 PolarHBondContact O-N 3.22Å; D523-V527 WeakPolarHBondContact O-CB 3.29Å
524G88.2Confident91.9Very high4 Ų49.6 Ų9.64%0.0415%0.049CC..Iπ-helixtrans-89-44.2-179.700000113.4W520W520-G524 CarbonylContact O-C 3.53Å; W520-G524 WeakPolarHBondContact O-CA 3.29Å; W520-G524 PolarHBondContact O-N 3.38Å
525F93.2Very high91.8Very high0 Ų010.5 Ų10.50%05%0.052CC..Iπ-helixtrans-91.4-62.9-178.9-169.5-79.4000112.7F336 L338 C442 L443 V446 W520 L521 G528 L529F336-F525 HydrophobicContact CE1-CD2 4.42Å; F336-F525 HydrophobicContact CE1-CE2 4.38Å; F336-F525 WeakPolarHBondContact CE2-O 3.45Å; F336-F525 AromaticContact CZ-CD2 3.68Å; F336-F525 HydrophobicContact CZ-CD2 3.68Å; F336-F525 AromaticContact CZ-CE2 3.98Å; F336-F525 HydrophobicContact CZ-CE2 3.98Å; F336-F525 HydrophobicContact CZ-CG 4.11Å; L338-F525 HydrophobicContact CD1-CD2 4.04Å; L338-F525 HydrophobicContact CD1-CE2 4.09Å; C442-F525 HydrophobicContact CB-CE1 4.47Å; L443-F525 HydrophobicContact CD2-CD1 3.55Å; L443-F525 HydrophobicContact CD2-CE1 3.63Å; L443-F525 HydrophobicContact CD2-CG 4.4Å; L443-F525 HydrophobicContact CG-CD1 4.24Å; L443-F525 HydrophobicContact CG-CE1 3.97Å; V446-F525 HydrophobicContact CB-CE2 4.14Å; V446-F525 HydrophobicContact CB-CZ 4.03Å; V446-F525 HydrophobicContact CG1-CE2 3.76Å; V446-F525 HydrophobicContact CG1-CZ 4.18Å; V446-F525 HydrophobicContact CG2-CZ 4.38Å; W520-F525 PolarHBondContact O-N 3.07Å; W520-F525 VanDerWaalsContact O-N 3.12Å; L521-F525 HydrophobicContact CD1-CB 3.96Å; L521-F525 HydrophobicContact CD1-CG 4.22Å; L521-F525 VanDerWaalsContact O-CB 3.31Å; L521-F525 WeakPolarHBondContact O-CB 3.28Å; F525-G528 PolarHBondContact O-N 2.87Å; F525-L529 HydrophobicContact CE1-CD2 4.08Å; F525-L529 WeakPolarHBondContact O-CB 3.47Å; F525-L529 PolarHBondContact O-N 2.95Å
526V94.9Very high91.9Very high0 Ų010.4 Ų10.40%05%0.052CC..Iπ-helixtrans-63.9-55.5-175172.50000112V439 L443 L469 L521 L522 G528 L529 V530V439-V526 HydrophobicContact CG1-CB 4.25Å; V439-V526 HydrophobicContact CG1-CG1 3.81Å; V439-V526 HydrophobicContact CG1-CG2 3.68Å; V439-V526 HydrophobicContact CG2-CG1 4.39Å; L443-V526 HydrophobicContact CD1-CG2 3.99Å; L443-V526 HydrophobicContact CD2-CG2 4.38Å; L443-V526 HydrophobicContact CG-CG2 4.5Å; L469-V526 HydrophobicContact CD2-CG1 4.46Å; L521-V526 WeakPolarHBondContact O-CG2 3.48Å; L521-V526 PolarHBondContact O-N 3.49Å; L522-V526 HydrophobicContact CD1-CB 4.04Å; L522-V526 HydrophobicContact CD1-CG1 4.13Å; L522-V526 HydrophobicContact CD1-CG2 4.17Å; L522-V526 WeakPolarHBondContact O-CB 3.47Å; L522-V526 PolarHBondContact O-N 3.04Å; V526-G528 VanDerWaalsContact C-N 3.34Å; V526-G528 PolarHBondContact O-N 3.41Å; V526-L529 PolarHBondContact O-N 2.87Å; V526-V530 WeakPolarHBondContact O-CG2 3.46Å; V526-V530 PolarHBondContact O-N 3.01Å
527V91.9Very high92Very high6 Ų68.6 Ų8.64%0.0364%0.043CC..Hα-helixtrans-58.5-46.2175.4161.90000110.5F326 F468 L522 D523 L529 V530 R531F326-V527 HydrophobicContact CB-CG1 4.1Å; F326-V527 HydrophobicContact CB-CG2 4.41Å; F326-V527 HydrophobicContact CD1-CG2 4.19Å; F468-V527 HydrophobicContact CE1-CG2 3.61Å; F468-V527 HydrophobicContact CZ-CG2 3.93Å; L522-V527 WeakPolarHBondContact O-CB 3.33Å; L522-V527 VanDerWaalsContact O-CG2 3.32Å; L522-V527 WeakPolarHBondContact O-CG2 3.37Å; L522-V527 PolarHBondContact O-N 3.45Å; D523-V527 WeakPolarHBondContact O-CB 3.29Å; V527-L529 VanDerWaalsContact C-N 3.33Å; V527-L529 PolarHBondContact O-N 3.3Å; V527-V530 PolarHBondContact O-N 3.13Å; V527-R531 HydrophobicContact CG1-CG 4.42Å; V527-R531 WeakPolarHBondContact O-CB 3.21Å; V527-R531 VanDerWaalsContact O-CG 3.25Å; V527-R531 WeakPolarHBondContact O-CG 3.33Å; V527-R531 PolarHBondContact O-N 3.03Å
528G90.8Very high91.8Very high14 Ų149.6 Ų9.614%0.1445%0.048CC..Hα-helixtrans-59.3-40.1178.200000113.7F336 F525 V526 A532F336-G528 VanDerWaalsContact CD2-C 3.47Å; F525-G528 PolarHBondContact O-N 2.87Å; V526-G528 VanDerWaalsContact C-N 3.34Å; V526-G528 PolarHBondContact O-N 3.41Å; G528-A532 WeakPolarHBondContact O-CB 3.32Å; G528-A532 PolarHBondContact O-N 3.37Å; G528-A532 VanDerWaalsContact O-N 3.09Å
529L92.3Very high91.4Very high0 Ų09.9 Ų9.90%05%0.05CC..Hα-helixtrans-73.1-41.3-179.9-17962.4000111.3L333 F336 Y401 F438 C442 F525 V526 V527 R531 A532 C533L333-L529 HydrophobicContact CD2-CD1 3.96Å; F336-L529 HydrophobicContact CD2-CB 4.49Å; F336-L529 HydrophobicContact CE2-CB 3.99Å; F336-L529 HydrophobicContact CZ-CB 4.45Å; Y401-L529 HydrophobicContact CD1-CD1 3.75Å; Y401-L529 HydrophobicContact CE1-CD1 3.59Å; Y401-L529 HydrophobicContact CE1-CD2 4.07Å; F438-L529 HydrophobicContact CE1-CD1 4.25Å; F438-L529 HydrophobicContact CE1-CD2 3.97Å; F438-L529 HydrophobicContact CE1-CG 3.87Å; F438-L529 HydrophobicContact CZ-CD1 4.22Å; F438-L529 HydrophobicContact CZ-CD2 4.34Å; F438-L529 HydrophobicContact CZ-CG 4.3Å; C442-L529 HydrophobicContact CB-CD2 3.66Å; F525-L529 HydrophobicContact CE1-CD2 4.08Å; F525-L529 WeakPolarHBondContact O-CB 3.47Å; F525-L529 PolarHBondContact O-N 2.95Å; V526-L529 PolarHBondContact O-N 2.87Å; V527-L529 VanDerWaalsContact C-N 3.33Å; V527-L529 PolarHBondContact O-N 3.3Å; L529-R531 VanDerWaalsContact C-N 3.34Å; L529-R531 PolarHBondContact O-N 2.83Å; L529-A532 WeakPolarHBondContact O-CB 3.45Å; L529-A532 PolarHBondContact O-N 3.02Å; L529-A532 VanDerWaalsContact O-N 3.09Å; L529-C533 PolarHBondContact O-N 3.26Å; L529-C533 VanDerWaalsContact O-N 3.09Å
530V93.4Very high91Very high0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-60.5-45172.4172.30000110.5F326 V435 V439 L469 V526 V527 A532 C533 F534 F548F326-V530 HydrophobicContact CB-CB 4.41Å; F326-V530 HydrophobicContact CB-CG1 4.05Å; F326-V530 HydrophobicContact CD2-CG1 4.27Å; F326-V530 HydrophobicContact CG-CG1 4.36Å; V435-V530 HydrophobicContact CG1-CG2 3.93Å; V439-V530 HydrophobicContact CG2-CG2 3.98Å; L469-V530 HydrophobicContact CD2-CG2 4Å; V526-V530 WeakPolarHBondContact O-CG2 3.46Å; V526-V530 PolarHBondContact O-N 3.01Å; V527-V530 PolarHBondContact O-N 3.13Å; V530-A532 PolarHBondContact O-N 2.91Å; V530-C533 PolarHBondContact O-N 2.85Å; V530-F534 PolarHBondContact O-N 3.05Å; V530-F548 HydrophobicContact CG1-CD1 3.97Å; V530-F548 HydrophobicContact CG1-CE1 3.81Å
531R90.4Very high90.2Very high86 Ų8615.1 Ų15.133%0.3259%0.092SC..Hα-helixtrans-62.3-23.5174.1-70.3-17975.968.121.5114.2G325 F326 L327 Y328 G330 V527 L529G325-R531 VanDerWaalsContact O-CD 3.32Å; G325-R531 WeakPolarHBondContact O-CD 3.44Å; G325-R531 PolarHBondContact O-NH1 3.36Å; F326-R531 HydrophobicContact CB-CG 4.29Å; L327-R531 PolarHBondContact O-NH1 3.23Å; Y328-R531 PolarHBondContact O-NH2 3.31Å; Y328-R531 VanDerWaalsContact O-NH2 3.16Å; G330-R531 PolarHBondContact N-O 2.66Å; V527-R531 HydrophobicContact CG1-CG 4.42Å; V527-R531 WeakPolarHBondContact O-CB 3.21Å; V527-R531 VanDerWaalsContact O-CG 3.25Å; V527-R531 WeakPolarHBondContact O-CG 3.33Å; V527-R531 PolarHBondContact O-N 3.03Å; L529-R531 VanDerWaalsContact C-N 3.34Å; L529-R531 PolarHBondContact O-N 2.83Å
532A89.2Confident89.5Confident2 Ų218.5 Ų18.52%0.01711%0.108CC..Hα-helixtrans-85.7-33.8-178.800000112.7G332 L333 F336 G528 L529 V530G332-A532 CarbonylContact C-O 3.29Å; G332-A532 WeakPolarHBondContact CA-O 3.21Å; G332-A532 PolarHBondContact N-O 3.24Å; L333-A532 HydrophobicContact CD2-CB 4.2Å; F336-A532 HydrophobicContact CB-CB 4.19Å; G528-A532 WeakPolarHBondContact O-CB 3.32Å; G528-A532 PolarHBondContact O-N 3.37Å; G528-A532 VanDerWaalsContact O-N 3.09Å; L529-A532 WeakPolarHBondContact O-CB 3.45Å; L529-A532 PolarHBondContact O-N 3.02Å; L529-A532 VanDerWaalsContact O-N 3.09Å; V530-A532 PolarHBondContact O-N 2.91Å
533C90.8Very high89.1Confident10 Ų1021.8 Ų21.87%0.06812%0.122CC..Hα-helixtrans-106.4-22.8-173.4-57.50000114.3L405 F438 L529 V530 Q551L405-C533 HydrophobicContact CD1-CB 4.45Å; L405-C533 HydrophobicContact CD2-CB 4.17Å; F438-C533 HydrophobicContact CE1-CB 4.26Å; F438-C533 HydrophobicContact CZ-CB 4.39Å; L529-C533 PolarHBondContact O-N 3.26Å; L529-C533 VanDerWaalsContact O-N 3.09Å; V530-C533 PolarHBondContact O-N 2.85Å; C533-Q551 PolarHBondContact O-N 1.94Å
534F92.6Very high89.1Confident0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-129.3146.8-174.3-57.6-87.6000112.4L405 C409 C430 V435 F438 V530 F548 Y549 R550L405-F534 HydrophobicContact CD1-CE1 4.14Å; L405-F534 HydrophobicContact CD1-CE2 4.01Å; L405-F534 HydrophobicContact CD1-CZ 3.46Å; L405-F534 VanDerWaalsContact CD1-CZ 3.46Å; C409-F534 HydrophobicContact CB-CE1 4.34Å; C409-F534 HydrophobicContact CB-CZ 4.39Å; C430-F534 HydrophobicContact CB-CE1 4.01Å; V435-F534 HydrophobicContact CG1-CD2 4.32Å; V435-F534 HydrophobicContact CG1-CE2 4.08Å; V435-F534 HydrophobicContact CG2-CE1 4.17Å; V435-F534 HydrophobicContact CG2-CE2 4.46Å; V435-F534 HydrophobicContact CG2-CZ 4.14Å; F438-F534 AromaticContact CD1-CE2 3.78Å; F438-F534 HydrophobicContact CD1-CE2 3.78Å; F438-F534 HydrophobicContact CD1-CZ 4.28Å; F438-F534 AromaticContact CE1-CE2 3.95Å; F438-F534 HydrophobicContact CE1-CE2 3.95Å; V530-F534 PolarHBondContact O-N 3.05Å; F534-F548 HydrophobicContact CB-CB 4.47Å; F534-F548 HydrophobicContact CD1-CB 4.28Å; F534-Y549 CarbonylContact C-O 3.23Å; F534-Y549 WeakPolarHBondContact CA-O 3.19Å; F534-Y549 WeakPolarHBondContact CB-O 3.27Å; F534-R550 HydrophobicContact CD1-CG 4.18Å; F534-R550 HydrophobicContact CE1-CG 3.96Å
535Y92.2Very high89.2Confident21 Ų2122.5 Ų22.58%0.08213%0.127CC..EExtended strand (participates in β ladder)trans-91.8108.5160.3-163.5-84.7000109.2Y328 G329 T537 Y549 W554Y328-Y535 HydrophobicContact CD1-CE1 4.46Å; G329-Y535 WeakPolarHBondContact O-CD2 3.25Å; G329-Y535 WeakPolarHBondContact O-CE2 3.4Å; Y535-T537 HydrophobicContact CD1-CG2 4.19Å; Y535-T537 HydrophobicContact CE1-CG2 4.3Å; Y535-Y549 PolarHBondContact N-O 2.8Å; Y535-Y549 PolarHBondContact O-N 2.86Å; Y535-W554 VanDerWaalsContact CB-CG 3.43Å; Y535-W554 AromaticContact CD1-CD2 3.45Å; Y535-W554 HydrophobicContact CD1-CD2 3.45Å; Y535-W554 VanDerWaalsContact CD1-CD2 3.45Å; Y535-W554 AromaticContact CD1-CE2 3.26Å; Y535-W554 AromaticContact CD1-CE3 3.91Å; Y535-W554 HydrophobicContact CD1-CE3 3.91Å; Y535-W554 AromaticContact CD1-CG 3.96Å; Y535-W554 HydrophobicContact CD1-CG 3.96Å; Y535-W554 AromaticContact CD1-CH2 4Å; Y535-W554 HydrophobicContact CD1-CH2 4Å; Y535-W554 AromaticContact CD1-CZ2 3.57Å; Y535-W554 HydrophobicContact CD1-CZ2 3.57Å; Y535-W554 HydrophobicContact CD1-CZ3 4.15Å; Y535-W554 AromaticContact CD1-NE1 3.61Å; Y535-W554 AromaticContact CD2-CD1 3.44Å; Y535-W554 VanDerWaalsContact CD2-CD1 3.44Å; Y535-W554 HydrophobicContact CD2-CD2 4.3Å; Y535-W554 AromaticContact CD2-CE2 3.9Å; Y535-W554 HydrophobicContact CD2-CG 4.05Å; Y535-W554 AromaticContact CD2-NE1 3.3Å; Y535-W554 VanDerWaalsContact CD2-NE1 3.3Å; Y535-W554 HydrophobicContact CE1-CD2 4.05Å; Y535-W554 AromaticContact CE1-CE2 3.35Å; Y535-W554 AromaticContact CE1-CH2 3.8Å; Y535-W554 HydrophobicContact CE1-CH2 3.8Å; Y535-W554 AromaticContact CE1-CZ2 3.23Å; Y535-W554 HydrophobicContact CE1-CZ2 3.23Å; Y535-W554 HydrophobicContact CE1-CZ3 4.41Å; Y535-W554 AromaticContact CE1-NE1 3.71Å; Y535-W554 AromaticContact CE2-CE2 3.98Å; Y535-W554 HydrophobicContact CE2-CZ2 4.42Å; Y535-W554 AromaticContact CE2-NE1 3.42Å; Y535-W554 HydrophobicContact CG-CB 4.44Å; Y535-W554 AromaticContact CG-CD1 3.43Å; Y535-W554 VanDerWaalsContact CG-CD1 3.43Å; Y535-W554 AromaticContact CG-CD2 3.6Å; Y535-W554 HydrophobicContact CG-CD2 3.6Å; Y535-W554 AromaticContact CG-CE2 3.55Å; Y535-W554 HydrophobicContact CG-CE3 4.4Å; Y535-W554 AromaticContact CG-CG 3.55Å; Y535-W554 HydrophobicContact CG-CG 3.55Å; Y535-W554 HydrophobicContact CG-CZ2 4.3Å; Y535-W554 AromaticContact CG-NE1 3.39Å; Y535-W554 AromaticContact CZ-CE2 3.71Å; Y535-W554 AromaticContact CZ-CZ2 3.7Å; Y535-W554 AromaticContact CZ-NE1 3.62Å
536A92.8Very high89.1Confident0 Ų023.4 Ų23.40%013%0.131CC..EExtended strand (participates in β ladder)trans-93.412717600000110.9F326 L327 Y328 I546 R547 F548F326-A536 HydrophobicContact CD2-CB 3.75Å; F326-A536 HydrophobicContact CE2-CB 4.23Å; L327-A536 HydrophobicContact CD2-CB 3.95Å; L327-A536 WeakPolarHBondContact CD2-O 3.37Å; Y328-A536 PolarHBondContact N-O 2.96Å; Y328-A536 VanDerWaalsContact N-O 3.08Å; A536-I546 HydrophobicContact CB-CG2 3.98Å; A536-R547 WeakPolarHBondContact CA-O 3.29Å; A536-F548 HydrophobicContact CB-CD1 3.81Å; A536-F548 HydrophobicContact CB-CE1 3.92Å
537T91.1Very high89Confident0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-148.6152.5-178.3-173.80000112.6Y535 R547 Y549 W554 R592 P595Y535-T537 HydrophobicContact CD1-CG2 4.19Å; Y535-T537 HydrophobicContact CE1-CG2 4.3Å; T537-R547 PolarHBondContact N-O 2.82Å; T537-R547 PolarHBondContact O-N 2.81Å; T537-Y549 HydrophobicContact CG2-CD2 4.18Å; T537-Y549 HydrophobicContact CG2-CE2 4.14Å; T537-W554 HydrophobicContact CG2-CH2 4.02Å; T537-W554 HydrophobicContact CG2-CZ3 3.85Å; T537-R592 PolarHBondContact OG1-NH2 3.02Å; T537-P595 HydrophobicContact CG2-CG 4.09Å
538E89.8Confident89Confident22 Ų2225.2 Ų25.210%0.10314%0.138CC..  trans-60.7161.9157.265-83.2-162.700112.1Y328 K473 R592 I594Y328-E538 PolarHBondContact OH-OE2 3.13Å; K473-E538 HydrophobicContact CD-CB 4.4Å; K473-E538 IonicContact NZ-OE1 2.75Å; K473-E538 PolarHBondContact NZ-OE1 3.06Å; K473-E538 IonicContact NZ-OE2 2.76Å; K473-E538 PolarHBondContact NZ-OE2 3.26Å; E538-R592 IonicContact OE1-CZ 2.69Å; E538-R592 IonicContact OE1-NH1 3.45Å; E538-R592 PolarHBondContact OE1-NH1 3.3Å; E538-R592 IonicContact OE1-NH2 3.48Å; E538-R592 PolarHBondContact OE1-NH2 2.94Å; E538-R592 IonicContact OE2-NH2 2.7Å; E538-R592 PolarHBondContact OE2-NH2 3.06Å; E538-I594 HydrophobicContact CG-CD1 4.04Å; E538-I594 HydrophobicContact CG-CG2 4.14Å; E538-I594 VanDerWaalsContact OE1-CD1 3.29Å; E538-I594 WeakPolarHBondContact OE1-CD1 3.5Å
539S86.4Confident89.1Confident9 Ų924.5 Ų24.56%0.06313%0.131CC..  trans-123.8150.6167.5175.20000109R547 P595S539-R547 PolarHBondContact OG-NH1 2.93Å; S539-P595 PolarHBondContact OG-O 3.1Å
540V82.6Confident89.1Confident68 Ų6825.3 Ų25.341%0.41213%0.134SC..SBendtrans-59.3150.3165.9-176.80000109.3Q542 I594 P595 K596V540-Q542 PolarHBondContact O-N 3.25Å; V540-I594 HydrophobicContact CG2-CG2 4.17Å; V540-P595 PolarHBondContact N-O 2.83Å; V540-K596 HydrophobicContact CG2-CG 4.26Å
541G75.3Confident88.8Confident47 Ų4728 Ų2849%0.48515%0.146SC..SBendtrans78.2-46.2-17700000115K543G541-K543 WeakPolarHBondContact O-CD 3.49Å; G541-K543 PolarHBondContact O-N 2.97Å
542Q79.4Confident88.6Confident71 Ų7127.8 Ų27.833%0.33215%0.149SC..SBendtrans-72.719.7-167.7-64.8-69.4-34.600116.1V540 N544 A545V540-Q542 PolarHBondContact O-N 3.25Å; Q542-N544 PolarHBondContact O-N 2.96Å; Q542-A545 HydrophobicContact CB-CB 4.32Å; Q542-A545 VanDerWaalsContact O-CB 3.25Å; Q542-A545 WeakPolarHBondContact O-CB 3.34Å; Q542-A545 PolarHBondContact O-N 2.57Å
543K85.9Confident88.7Confident68 Ų6828.5 Ų28.530%0.29615%0.153SC..THydrogen-bonded Turntrans49.4-122.8-179.8-42.8-53.2-179.7-1530112G541 S913 L917 Y921G541-K543 WeakPolarHBondContact O-CD 3.49Å; G541-K543 PolarHBondContact O-N 2.97Å; K543-S913 WeakPolarHBondContact CE-O 3.39Å; K543-S913 PolarHBondContact NZ-O 2.71Å; K543-S913 PolarHBondContact NZ-OG 2.94Å; K543-S913 VanDerWaalsContact NZ-OG 3.09Å; K543-L917 HydrophobicContact CD-CD1 4.43Å; K543-L917 HydrophobicContact CG-CD1 4.06Å; K543-Y921 WeakPolarHBondContact CB-O 3.43Å
544N88.5Confident88.7Confident34 Ų3428.2 Ų28.218%0.18215%0.151CC..THydrogen-bonded Turntrans-92.19.8179.5-63.2-38000114.6G472 K473 F474 Q542 Y921 L923 S924G472-N544 CarbonylContact C-O 3.58Å; G472-N544 VanDerWaalsContact CA-O 3.28Å; G472-N544 WeakPolarHBondContact CA-O 3.24Å; K473-N544 PolarHBondContact N-O 3.49Å; F474-N544 WeakPolarHBondContact CD2-OD1 3.28Å; F474-N544 WeakPolarHBondContact CE2-OD1 3.33Å; Q542-N544 PolarHBondContact O-N 2.96Å; N544-Y921 VanDerWaalsContact CB-O 3.32Å; N544-Y921 WeakPolarHBondContact CB-O 3.35Å; N544-Y921 PolarHBondContact N-O 3.47Å; N544-Y921 PolarHBondContact ND2-O 3Å; N544-L923 PolarHBondContact ND2-O 3.34Å; N544-S924 PolarHBondContact ND2-OG 3.09Å
545A89.3Confident88.5Confident15 Ų1531.3 Ų31.312%0.12417%0.17CC..  trans-69.5156.5179.500000111.6Q542 Y921Q542-A545 HydrophobicContact CB-CB 4.32Å; Q542-A545 VanDerWaalsContact O-CB 3.25Å; Q542-A545 WeakPolarHBondContact O-CB 3.34Å; Q542-A545 PolarHBondContact O-N 2.57Å; A545-Y921 HydrophobicContact CB-CD1 4.13Å; A545-Y921 HydrophobicContact CB-CD2 3.79Å; A545-Y921 HydrophobicContact CB-CE2 4.27Å; A545-Y921 HydrophobicContact CB-CG 3.72Å
546I91.4Very high88.4Confident18 Ų1835.2 Ų35.29%0.09219%0.187CC..  trans-121.4127.5-178.8-53.3170.9000108.9T323 F326 L327 A536 F548T323-I546 HydrophobicContact CG2-CD1 3.51Å; F326-I546 HydrophobicContact CE2-CD1 3.7Å; F326-I546 HydrophobicContact CE2-CG2 4.2Å; F326-I546 HydrophobicContact CZ-CD1 3.79Å; L327-I546 HydrophobicContact CD2-CD1 4.15Å; L327-I546 HydrophobicContact CD2-CG1 4.41Å; L327-I546 HydrophobicContact CD2-CG2 3.83Å; A536-I546 HydrophobicContact CB-CG2 3.98Å; I546-F548 HydrophobicContact CB-CE2 4.41Å; I546-F548 HydrophobicContact CG2-CE1 4.48Å; I546-F548 HydrophobicContact CG2-CE2 4.28Å; I546-F548 HydrophobicContact CG2-CZ 4.2Å
547R91.9Very high88.3Confident44 Ų4435.2 Ų35.217%0.16619%0.187CC..EExtended strand (participates in β ladder)trans-92.7139.7168.5-70.7-179.9167.5167.31.9109.4H429 A536 T537 S539 Y549H429-R547 HydrophobicContact CB-CB 4.1Å; H429-R547 HydrophobicContact CB-CG 4.43Å; H429-R547 WeakPolarHBondContact CD2-CD 3.25Å; H429-R547 PolarHBondContact CD2-NE 3Å; H429-R547 PolarHBondContact NE2-NE 3.49Å; H429-R547 VanDerWaalsContact NE2-NE 3.15Å; A536-R547 WeakPolarHBondContact CA-O 3.29Å; T537-R547 PolarHBondContact N-O 2.82Å; T537-R547 PolarHBondContact O-N 2.81Å; S539-R547 PolarHBondContact OG-NH1 2.93Å; R547-Y549 HydrophobicContact CB-CD2 4.22Å; R547-Y549 HydrophobicContact CB-CE2 3.67Å; R547-Y549 WeakPolarHBondContact CD-OH 3.22Å; R547-Y549 HydrophobicContact CG-CE2 4.48Å; R547-Y549 PolarHBondContact NH1-OH 3.31Å
548F93.6Very high88.2Confident0 Ų036.9 Ų36.90%020%0.195CC..EExtended strand (participates in β ladder)trans-112.894.5177.4-62.2-92.2000109.4F326 C430 P432 V435 V530 F534 A536 I546F326-F548 AromaticContact CD2-CE1 3.72Å; F326-F548 HydrophobicContact CD2-CE1 3.72Å; F326-F548 HydrophobicContact CD2-CZ 4.24Å; F326-F548 AromaticContact CE2-CE1 3.4Å; F326-F548 HydrophobicContact CE2-CE1 3.4Å; F326-F548 AromaticContact CE2-CZ 3.45Å; F326-F548 HydrophobicContact CE2-CZ 3.45Å; F326-F548 VanDerWaalsContact CE2-CZ 3.45Å; F326-F548 HydrophobicContact CZ-CE1 4.23Å; F326-F548 AromaticContact CZ-CZ 3.93Å; F326-F548 HydrophobicContact CZ-CZ 3.93Å; C430-F548 HydrophobicContact CB-CB 4.46Å; C430-F548 WeakPolarHBondContact CB-O 3.38Å; C430-F548 PolarHBondContact N-O 2.94Å; P432-F548 HydrophobicContact CB-CE2 4.24Å; P432-F548 HydrophobicContact CG-CD2 4.35Å; P432-F548 HydrophobicContact CG-CE2 4.04Å; V435-F548 HydrophobicContact CG1-CD1 4.39Å; V435-F548 HydrophobicContact CG2-CB 3.77Å; V435-F548 HydrophobicContact CG2-CD1 4.37Å; V435-F548 HydrophobicContact CG2-CD2 4.18Å; V435-F548 HydrophobicContact CG2-CG 3.88Å; V530-F548 HydrophobicContact CG1-CD1 3.97Å; V530-F548 HydrophobicContact CG1-CE1 3.81Å; F534-F548 HydrophobicContact CB-CB 4.47Å; F534-F548 HydrophobicContact CD1-CB 4.28Å; A536-F548 HydrophobicContact CB-CD1 3.81Å; A536-F548 HydrophobicContact CB-CE1 3.92Å; I546-F548 HydrophobicContact CB-CE2 4.41Å; I546-F548 HydrophobicContact CG2-CE1 4.48Å; I546-F548 HydrophobicContact CG2-CE2 4.28Å; I546-F548 HydrophobicContact CG2-CZ 4.2Å
549Y93.3Very high88.2Confident0 Ų038.9 Ų38.90%021%0.206CC..EExtended strand (participates in β ladder)trans-80.5143.8173.3-67-89000109.5L426 H429 F534 Y535 T537 R547 V553 W554 L557 P595L426-Y549 WeakPolarHBondContact O-CE1 3.25Å; L426-Y549 PolarHBondContact O-OH 2.7Å; H429-Y549 HydrophobicContact CB-CD1 3.97Å; H429-Y549 HydrophobicContact CB-CD2 4.39Å; H429-Y549 HydrophobicContact CB-CE1 3.78Å; H429-Y549 HydrophobicContact CB-CE2 4.2Å; H429-Y549 HydrophobicContact CB-CG 4.28Å; F534-Y549 CarbonylContact C-O 3.23Å; F534-Y549 WeakPolarHBondContact CA-O 3.19Å; F534-Y549 WeakPolarHBondContact CB-O 3.27Å; Y535-Y549 PolarHBondContact N-O 2.8Å; Y535-Y549 PolarHBondContact O-N 2.86Å; T537-Y549 HydrophobicContact CG2-CD2 4.18Å; T537-Y549 HydrophobicContact CG2-CE2 4.14Å; R547-Y549 HydrophobicContact CB-CD2 4.22Å; R547-Y549 HydrophobicContact CB-CE2 3.67Å; R547-Y549 WeakPolarHBondContact CD-OH 3.22Å; R547-Y549 HydrophobicContact CG-CE2 4.48Å; R547-Y549 PolarHBondContact NH1-OH 3.31Å; Y549-V553 HydrophobicContact CD1-CG1 4.22Å; Y549-W554 AromaticContact CD2-CE3 3.66Å; Y549-W554 HydrophobicContact CD2-CE3 3.66Å; Y549-W554 AromaticContact CD2-CZ3 3.91Å; Y549-W554 HydrophobicContact CD2-CZ3 3.91Å; Y549-W554 HydrophobicContact CE2-CE3 4.27Å; Y549-W554 HydrophobicContact CE2-CZ3 4.11Å; Y549-W554 AromaticContact CG-CE3 3.85Å; Y549-W554 HydrophobicContact CG-CE3 3.85Å; Y549-L557 HydrophobicContact CD1-CD1 3.74Å; Y549-L557 HydrophobicContact CE1-CD1 3.68Å; Y549-L557 HydrophobicContact CG-CD1 4.45Å; Y549-P595 HydrophobicContact CE2-CG 3.91Å
550R91.5Very high88.3Confident17 Ų1740.7 Ų40.76%0.06422%0.215CC..EExtended strand (participates in β ladder)trans-64.4146.7164.6-100.1-171.173.7166.1-2.8109.5C409 L411 F534 E552 V553 W554C409-R550 WeakPolarHBondContact O-CD 3.39Å; C409-R550 PolarHBondContact O-NH1 3.09Å; L411-R550 HydrophobicContact CD2-CB 4.29Å; F534-R550 HydrophobicContact CD1-CG 4.18Å; F534-R550 HydrophobicContact CE1-CG 3.96Å; R550-E552 WeakPolarHBondContact CB-OE2 3.39Å; R550-E552 IonicContact CZ-OE1 2.67Å; R550-E552 IonicContact CZ-OE2 2.69Å; R550-E552 IonicContact NE-OE1 3.49Å; R550-E552 PolarHBondContact NE-OE1 2.81Å; R550-E552 IonicContact NE-OE2 2.73Å; R550-E552 PolarHBondContact NE-OE2 3.03Å; R550-E552 IonicContact NH2-OE1 3.21Å; R550-E552 PolarHBondContact NH2-OE1 2.82Å; R550-E552 IonicContact NH2-OE2 3.5Å; R550-E552 PolarHBondContact O-N 3.07Å; R550-V553 HydrophobicContact CB-CG2 4.27Å; R550-V553 PolarHBondContact O-N 3.47Å; R550-W554 WeakPolarHBondContact O-CB 3.06Å; R550-W554 PolarHBondContact O-N 2.89Å
551Q86.9Confident88.6Confident55 Ų5538 Ų3826%0.25720%0.2SC..Hα-helixtrans-57.8-38.7-173.6-174.2-177.9-54.700111.8C533 W554 T555C533-Q551 PolarHBondContact O-N 1.94Å; Q551-W554 PolarHBondContact O-N 3.09Å; Q551-T555 PolarHBondContact O-N 2.6Å; Q551-T555 PolarHBondContact O-OG1 3.19Å
552E86.8Confident89.3Confident82 Ų8236.1 Ų36.138%0.38318%0.178SC..Hα-helixtrans-64.8-47.5-178.2-50.491.4150.300111.6L411 R550 W554 T555 K556L411-E552 HydrophobicContact CD1-CB 4.34Å; L411-E552 HydrophobicContact CD1-CG 4.33Å; L411-E552 HydrophobicContact CD2-CB 4.17Å; R550-E552 WeakPolarHBondContact CB-OE2 3.39Å; R550-E552 IonicContact CZ-OE1 2.67Å; R550-E552 IonicContact CZ-OE2 2.69Å; R550-E552 IonicContact NE-OE1 3.49Å; R550-E552 PolarHBondContact NE-OE1 2.81Å; R550-E552 IonicContact NE-OE2 2.73Å; R550-E552 PolarHBondContact NE-OE2 3.03Å; R550-E552 IonicContact NH2-OE1 3.21Å; R550-E552 PolarHBondContact NH2-OE1 2.82Å; R550-E552 IonicContact NH2-OE2 3.5Å; R550-E552 PolarHBondContact O-N 3.07Å; E552-W554 VanDerWaalsContact C-N 3.32Å; E552-W554 PolarHBondContact O-N 3.45Å; E552-T555 PolarHBondContact O-N 2.81Å; E552-K556 PolarHBondContact O-N 2.83Å
553V90.3Very high89.7Confident18 Ų1839.3 Ų39.311%0.10919%0.191CC..Hα-helixtrans-62.1-41.6174.3179.70000110.7L411 K428 Y549 R550 K556 L557L411-V553 HydrophobicContact CD2-CG2 3.85Å; K428-V553 HydrophobicContact CB-CG1 4.22Å; Y549-V553 HydrophobicContact CD1-CG1 4.22Å; R550-V553 HydrophobicContact CB-CG2 4.27Å; R550-V553 PolarHBondContact O-N 3.47Å; V553-K556 PolarHBondContact O-N 3.09Å; V553-L557 HydrophobicContact CG1-CD1 4.19Å; V553-L557 WeakPolarHBondContact O-CG 3.42Å; V553-L557 PolarHBondContact O-N 3.44Å
554W91.1Very high89.7Confident4 Ų437.4 Ų37.42%0.01519%0.191CC..Hα-helixtrans-67.8-39.8-179.2-177.7-96.5000112.8Y535 T537 Y549 R550 Q551 E552 L557 Q558 P595 M600Y535-W554 VanDerWaalsContact CB-CG 3.43Å; Y535-W554 AromaticContact CD1-CD2 3.45Å; Y535-W554 HydrophobicContact CD1-CD2 3.45Å; Y535-W554 VanDerWaalsContact CD1-CD2 3.45Å; Y535-W554 AromaticContact CD1-CE2 3.26Å; Y535-W554 AromaticContact CD1-CE3 3.91Å; Y535-W554 HydrophobicContact CD1-CE3 3.91Å; Y535-W554 AromaticContact CD1-CG 3.96Å; Y535-W554 HydrophobicContact CD1-CG 3.96Å; Y535-W554 AromaticContact CD1-CH2 4Å; Y535-W554 HydrophobicContact CD1-CH2 4Å; Y535-W554 AromaticContact CD1-CZ2 3.57Å; Y535-W554 HydrophobicContact CD1-CZ2 3.57Å; Y535-W554 HydrophobicContact CD1-CZ3 4.15Å; Y535-W554 AromaticContact CD1-NE1 3.61Å; Y535-W554 AromaticContact CD2-CD1 3.44Å; Y535-W554 VanDerWaalsContact CD2-CD1 3.44Å; Y535-W554 HydrophobicContact CD2-CD2 4.3Å; Y535-W554 AromaticContact CD2-CE2 3.9Å; Y535-W554 HydrophobicContact CD2-CG 4.05Å; Y535-W554 AromaticContact CD2-NE1 3.3Å; Y535-W554 VanDerWaalsContact CD2-NE1 3.3Å; Y535-W554 HydrophobicContact CE1-CD2 4.05Å; Y535-W554 AromaticContact CE1-CE2 3.35Å; Y535-W554 AromaticContact CE1-CH2 3.8Å; Y535-W554 HydrophobicContact CE1-CH2 3.8Å; Y535-W554 AromaticContact CE1-CZ2 3.23Å; Y535-W554 HydrophobicContact CE1-CZ2 3.23Å; Y535-W554 HydrophobicContact CE1-CZ3 4.41Å; Y535-W554 AromaticContact CE1-NE1 3.71Å; Y535-W554 AromaticContact CE2-CE2 3.98Å; Y535-W554 HydrophobicContact CE2-CZ2 4.42Å; Y535-W554 AromaticContact CE2-NE1 3.42Å; Y535-W554 HydrophobicContact CG-CB 4.44Å; Y535-W554 AromaticContact CG-CD1 3.43Å; Y535-W554 VanDerWaalsContact CG-CD1 3.43Å; Y535-W554 AromaticContact CG-CD2 3.6Å; Y535-W554 HydrophobicContact CG-CD2 3.6Å; Y535-W554 AromaticContact CG-CE2 3.55Å; Y535-W554 HydrophobicContact CG-CE3 4.4Å; Y535-W554 AromaticContact CG-CG 3.55Å; Y535-W554 HydrophobicContact CG-CG 3.55Å; Y535-W554 HydrophobicContact CG-CZ2 4.3Å; Y535-W554 AromaticContact CG-NE1 3.39Å; Y535-W554 AromaticContact CZ-CE2 3.71Å; Y535-W554 AromaticContact CZ-CZ2 3.7Å; Y535-W554 AromaticContact CZ-NE1 3.62Å; T537-W554 HydrophobicContact CG2-CH2 4.02Å; T537-W554 HydrophobicContact CG2-CZ3 3.85Å; Y549-W554 AromaticContact CD2-CE3 3.66Å; Y549-W554 HydrophobicContact CD2-CE3 3.66Å; Y549-W554 AromaticContact CD2-CZ3 3.91Å; Y549-W554 HydrophobicContact CD2-CZ3 3.91Å; Y549-W554 HydrophobicContact CE2-CE3 4.27Å; Y549-W554 HydrophobicContact CE2-CZ3 4.11Å; Y549-W554 AromaticContact CG-CE3 3.85Å; Y549-W554 HydrophobicContact CG-CE3 3.85Å; R550-W554 WeakPolarHBondContact O-CB 3.06Å; R550-W554 PolarHBondContact O-N 2.89Å; Q551-W554 PolarHBondContact O-N 3.09Å; E552-W554 VanDerWaalsContact C-N 3.32Å; E552-W554 PolarHBondContact O-N 3.45Å; W554-L557 HydrophobicContact CE3-CD1 4.29Å; W554-L557 PolarHBondContact O-N 3.47Å; W554-Q558 HydrophobicContact CD2-CG 4.47Å; W554-Q558 HydrophobicContact CZ2-CG 4.07Å; W554-Q558 VanDerWaalsContact NE1-CD 3.3Å; W554-Q558 WeakPolarHBondContact O-CG 3.36Å; W554-Q558 PolarHBondContact O-N 2.85Å; W554-P595 HydrophobicContact CH2-CG 4.24Å; W554-P595 HydrophobicContact CZ3-CG 3.83Å; W554-M600 HydrophobicContact CE3-CE 4.49Å; W554-M600 HydrophobicContact CH2-CE 3.48Å; W554-M600 VanDerWaalsContact CH2-CE 3.48Å; W554-M600 HydrophobicContact CZ2-CE 4.08Å; W554-M600 HydrophobicContact CZ3-CE 3.71Å
555T88.6Confident89.5Confident65 Ų6537 Ų3740%0.39919%0.188SC..Hα-helixtrans-59.2-50.2174.1-70.60000110.8Q551 E552 L557 Q558 D559Q551-T555 PolarHBondContact O-N 2.6Å; Q551-T555 PolarHBondContact O-OG1 3.19Å; E552-T555 PolarHBondContact O-N 2.81Å; T555-L557 PolarHBondContact O-N 2.81Å; T555-Q558 PolarHBondContact O-N 3.04Å; T555-Q558 VanDerWaalsContact O-N 3.09Å; T555-D559 VanDerWaalsContact CG2-OD2 3.31Å; T555-D559 WeakPolarHBondContact CG2-OD2 3.29Å; T555-D559 PolarHBondContact O-N 3.29Å
556K89.5Confident89.4Confident102 Ų10239.2 Ų39.244%0.44320%0.197SC..Hα-helixtrans-52.5-49.8173.2-80-170156.8-143.50112.5E421 L425 E552 V553 Q558 D559 L560E421-K556 IonicContact OE1-NZ 3.7Å; E421-K556 PolarHBondContact OE1-NZ 3.47Å; L425-K556 HydrophobicContact CD1-CB 3.86Å; L425-K556 HydrophobicContact CD1-CD 4.16Å; E552-K556 PolarHBondContact O-N 2.83Å; V553-K556 PolarHBondContact O-N 3.09Å; K556-Q558 VanDerWaalsContact C-N 3.3Å; K556-Q558 PolarHBondContact O-N 2.85Å; K556-D559 PolarHBondContact O-N 2.94Å; K556-L560 WeakPolarHBondContact O-CB 3.37Å; K556-L560 WeakPolarHBondContact O-CG 3.06Å; K556-L560 PolarHBondContact O-N 3.16Å
557L90.6Very high89.1Confident0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-58.6-37.4178.1-78.2172.6000113.1L422 L425 L426 Y549 V553 W554 T555 A561 M600L422-L557 HydrophobicContact CD1-CD2 3.78Å; L425-L557 HydrophobicContact CB-CD2 3.49Å; L425-L557 VanDerWaalsContact CB-CD2 3.49Å; L425-L557 HydrophobicContact CB-CG 3.97Å; L425-L557 HydrophobicContact CD1-CD2 4.38Å; L425-L557 HydrophobicContact CD1-CG 4.48Å; L426-L557 HydrophobicContact CD2-CD2 4.49Å; L426-L557 HydrophobicContact CG-CD2 4.2Å; Y549-L557 HydrophobicContact CD1-CD1 3.74Å; Y549-L557 HydrophobicContact CE1-CD1 3.68Å; Y549-L557 HydrophobicContact CG-CD1 4.45Å; V553-L557 HydrophobicContact CG1-CD1 4.19Å; V553-L557 WeakPolarHBondContact O-CG 3.42Å; V553-L557 PolarHBondContact O-N 3.44Å; W554-L557 HydrophobicContact CE3-CD1 4.29Å; W554-L557 PolarHBondContact O-N 3.47Å; T555-L557 PolarHBondContact O-N 2.81Å; L557-A561 VanDerWaalsContact O-CB 3.28Å; L557-A561 WeakPolarHBondContact O-CB 3.12Å; L557-A561 PolarHBondContact O-N 3.19Å; L557-M600 HydrophobicContact CB-CE 4.16Å
558Q90.1Very high88.8Confident35 Ų3547.7 Ų47.716%0.16425%0.247CC..Hα-helixtrans-71.6-43.5176.1-68.5-154.1-120.400112.4W554 T555 K556 A561 F562 F593 Y784W554-Q558 HydrophobicContact CD2-CG 4.47Å; W554-Q558 HydrophobicContact CZ2-CG 4.07Å; W554-Q558 VanDerWaalsContact NE1-CD 3.3Å; W554-Q558 WeakPolarHBondContact O-CG 3.36Å; W554-Q558 PolarHBondContact O-N 2.85Å; T555-Q558 PolarHBondContact O-N 3.04Å; T555-Q558 VanDerWaalsContact O-N 3.09Å; K556-Q558 VanDerWaalsContact C-N 3.3Å; K556-Q558 PolarHBondContact O-N 2.85Å; Q558-A561 PolarHBondContact O-N 2.83Å; Q558-F562 WeakPolarHBondContact O-CB 3.33Å; Q558-F562 PolarHBondContact O-N 2.78Å; Q558-F593 HydrophobicContact CB-CD2 4.06Å; Q558-F593 HydrophobicContact CB-CE2 4.31Å; Q558-F593 HydrophobicContact CG-CD2 3.99Å; Q558-F593 WeakPolarHBondContact O-CE2 3.5Å; Q558-Y784 VanDerWaalsContact CB-OH 3.25Å; Q558-Y784 WeakPolarHBondContact CB-OH 3.39Å
559D88.9Confident88.3Confident64 Ų6450 Ų5034%0.34227%0.271SS..Hα-helixtrans-71.1-38.8-175.3-66.3-33.5000111.8T555 K556 F562 K563 Y784T555-D559 VanDerWaalsContact CG2-OD2 3.31Å; T555-D559 WeakPolarHBondContact CG2-OD2 3.29Å; T555-D559 PolarHBondContact O-N 3.29Å; K556-D559 PolarHBondContact O-N 2.94Å; D559-F562 PolarHBondContact O-N 3.01Å; D559-K563 WeakPolarHBondContact O-CG 3.42Å; D559-K563 PolarHBondContact O-N 2.67Å; D559-Y784 PolarHBondContact N-OH 2.83Å; D559-Y784 WeakPolarHBondContact OD1-CE1 3.34Å; D559-Y784 PolarHBondContact OD1-OH 2.98Å
560L89.4Confident88Confident47 Ų4751 Ų5125%0.24628%0.276CS..Hα-helixtrans-62.1-45.9171.3-69.5169.4000111.7E421 L422 L425 K556 F562 K563 G564E421-L560 HydrophobicContact CB-CD1 4.06Å; E421-L560 HydrophobicContact CG-CD1 3.78Å; L422-L560 HydrophobicContact CD1-CB 4Å; L425-L560 HydrophobicContact CD1-CD1 3.91Å; K556-L560 WeakPolarHBondContact O-CB 3.37Å; K556-L560 WeakPolarHBondContact O-CG 3.06Å; K556-L560 PolarHBondContact O-N 3.16Å; L560-F562 VanDerWaalsContact C-N 3.32Å; L560-F562 PolarHBondContact O-N 3.41Å; L560-K563 PolarHBondContact O-N 3.25Å; L560-G564 PolarHBondContact O-N 3.29Å
561A89.2Confident87.9Confident11 Ų1151.2 Ų51.29%0.09128%0.278CS..Hα-helixtrans-63.2-37.6177.100000112.4L557 Q558 G564 H565 F593 M600L557-A561 VanDerWaalsContact O-CB 3.28Å; L557-A561 WeakPolarHBondContact O-CB 3.12Å; L557-A561 PolarHBondContact O-N 3.19Å; Q558-A561 PolarHBondContact O-N 2.83Å; A561-G564 PolarHBondContact O-N 3.25Å; A561-H565 PolarHBondContact O-CD2 3.19Å; A561-F593 HydrophobicContact CB-CD1 4.1Å; A561-F593 HydrophobicContact CB-CD2 4.41Å; A561-F593 HydrophobicContact CB-CE1 3.84Å; A561-F593 HydrophobicContact CB-CE2 4.17Å; A561-F593 HydrophobicContact CB-CG 4.37Å; A561-F593 HydrophobicContact CB-CZ 3.87Å; A561-M600 HydrophobicContact CB-CB 3.72Å; A561-M600 HydrophobicContact CB-CG 3.92Å
562F89.9Confident88Confident8 Ų854.2 Ų54.24%0.03529%0.292CS..Hα-helixtrans-72-40.4178.1-171.1-111000112.7Q558 D559 L560 G564 H565 L566 L591 F593 Y784 Y789Q558-F562 WeakPolarHBondContact O-CB 3.33Å; Q558-F562 PolarHBondContact O-N 2.78Å; D559-F562 PolarHBondContact O-N 3.01Å; L560-F562 VanDerWaalsContact C-N 3.32Å; L560-F562 PolarHBondContact O-N 3.41Å; F562-G564 PolarHBondContact O-N 3.03Å; F562-H565 PolarHBondContact O-N 3.15Å; F562-L566 HydrophobicContact CD1-CD1 4.03Å; F562-L566 HydrophobicContact CD1-CG 4.38Å; F562-L566 HydrophobicContact CE1-CD1 3.8Å; F562-L566 HydrophobicContact CE1-CD2 4.14Å; F562-L566 HydrophobicContact CE1-CG 4.04Å; F562-L566 HydrophobicContact CZ-CD2 4.16Å; F562-L566 HydrophobicContact CZ-CG 4.38Å; F562-L566 PolarHBondContact O-N 2.68Å; F562-L591 HydrophobicContact CD2-CD2 3.56Å; F562-L591 HydrophobicContact CE2-CD2 3.89Å; F562-F593 HydrophobicContact CB-CE2 4.27Å; F562-F593 HydrophobicContact CB-CZ 4.1Å; F562-F593 HydrophobicContact CD2-CZ 4.46Å; F562-Y784 HydrophobicContact CB-CD1 4.41Å; F562-Y784 HydrophobicContact CB-CE1 4.09Å; F562-Y784 HydrophobicContact CB-CE2 4.33Å; F562-Y784 AromaticContact CD1-CD1 3.43Å; F562-Y784 HydrophobicContact CD1-CD1 3.43Å; F562-Y784 VanDerWaalsContact CD1-CD1 3.43Å; F562-Y784 AromaticContact CD1-CE1 3.76Å; F562-Y784 HydrophobicContact CD1-CE1 3.76Å; F562-Y784 AromaticContact CD1-CG 3.96Å; F562-Y784 HydrophobicContact CD1-CG 3.96Å; F562-Y784 HydrophobicContact CD2-CD1 4.29Å; F562-Y784 HydrophobicContact CD2-CD2 4.16Å; F562-Y784 AromaticContact CD2-CG 3.99Å; F562-Y784 HydrophobicContact CD2-CG 3.99Å; F562-Y784 AromaticContact CE1-CD1 3.67Å; F562-Y784 HydrophobicContact CE1-CD1 3.67Å; F562-Y784 HydrophobicContact CE1-CE1 4.44Å; F562-Y784 HydrophobicContact CE1-CG 4.02Å; F562-Y784 HydrophobicContact CE2-CD1 4.49Å; F562-Y784 HydrophobicContact CE2-CG 4.07Å; F562-Y784 AromaticContact CG-CD1 3.77Å; F562-Y784 HydrophobicContact CG-CD1 3.77Å; F562-Y784 HydrophobicContact CG-CD2 4.23Å; F562-Y784 AromaticContact CG-CE1 3.95Å; F562-Y784 HydrophobicContact CG-CE1 3.95Å; F562-Y784 HydrophobicContact CG-CE2 4.38Å; F562-Y784 AromaticContact CG-CG 3.94Å; F562-Y784 HydrophobicContact CG-CG 3.94Å; F562-Y784 HydrophobicContact CZ-CD1 4.21Å; F562-Y784 HydrophobicContact CZ-CG 4.09Å; F562-Y789 HydrophobicContact CE1-CD1 4.43Å; F562-Y789 HydrophobicContact CE1-CD2 4.43Å; F562-Y789 AromaticContact CE1-CE1 3.84Å; F562-Y789 HydrophobicContact CE1-CE1 3.84Å; F562-Y789 AromaticContact CE1-CE2 3.83Å; F562-Y789 HydrophobicContact CE1-CE2 3.83Å; F562-Y789 AromaticContact CE1-CZ 3.52Å; F562-Y789 AromaticContact CZ-CD1 3.94Å; F562-Y789 HydrophobicContact CZ-CD1 3.94Å; F562-Y789 AromaticContact CZ-CD2 3.76Å; F562-Y789 HydrophobicContact CZ-CD2 3.76Å; F562-Y789 AromaticContact CZ-CE1 3.81Å; F562-Y789 HydrophobicContact CZ-CE1 3.81Å; F562-Y789 AromaticContact CZ-CE2 3.61Å; F562-Y789 HydrophobicContact CZ-CE2 3.61Å; F562-Y789 AromaticContact CZ-CG 3.94Å; F562-Y789 HydrophobicContact CZ-CG 3.94Å; F562-Y789 AromaticContact CZ-CZ 3.66Å
563K87.9Confident88.2Confident138 Ų13854.4 Ų54.460%0.629%0.293SS*.Hα-helixtrans-53.5-41.8171-76.8176.4177-172.60111.9D559 L560 H565 L566 S567D559-K563 WeakPolarHBondContact O-CG 3.42Å; D559-K563 PolarHBondContact O-N 2.67Å; L560-K563 PolarHBondContact O-N 3.25Å; K563-H565 PolarHBondContact O-N 3.07Å; K563-L566 PolarHBondContact O-N 2.91Å; K563-S567 PolarHBondContact O-N 2.93Å; K563-S567 PolarHBondContact O-OG 2.94Å
564G84.8Confident88.2Confident29 Ų2954.8 Ų54.830%0.29929%0.294SS..Hα-helixtrans-68.9-7.617700000116.2L560 A561 F562 K568L560-G564 PolarHBondContact O-N 3.29Å; A561-G564 PolarHBondContact O-N 3.25Å; F562-G564 PolarHBondContact O-N 3.03Å; G564-K568 VanDerWaalsContact O-CD 3.31Å; G564-K568 WeakPolarHBondContact O-CD 3.22Å; G564-K568 WeakPolarHBondContact O-CE 3.25Å; G564-K568 WeakPolarHBondContact O-CG 3.46Å
565H83.7Confident88.1Confident26 Ų2656.7 Ų56.712%0.1231%0.308CS..Hα-helixtrans-94.9-38.4168-73.3-67.5000111.8A561 F562 K563 K568 Q570 F593A561-H565 PolarHBondContact O-CD2 3.19Å; F562-H565 PolarHBondContact O-N 3.15Å; K563-H565 PolarHBondContact O-N 3.07Å; H565-K568 PolarHBondContact O-N 2.86Å; H565-Q570 PolarHBondContact ND1-OE1 2.77Å; H565-Q570 PolarHBondContact O-N 2.73Å; H565-F593 AromaticContact CD2-CE1 3.96Å; H565-F593 AromaticContact NE2-CE1 3.82Å
566L87.1Confident88Confident61 Ų6159.2 Ų59.232%0.31933%0.325SS..Hα-helixtrans-60.2-48.2172.9-64.3171.4000110.8F562 K563 K568 G569 M571 Y789F562-L566 HydrophobicContact CD1-CD1 4.03Å; F562-L566 HydrophobicContact CD1-CG 4.38Å; F562-L566 HydrophobicContact CE1-CD1 3.8Å; F562-L566 HydrophobicContact CE1-CD2 4.14Å; F562-L566 HydrophobicContact CE1-CG 4.04Å; F562-L566 HydrophobicContact CZ-CD2 4.16Å; F562-L566 HydrophobicContact CZ-CG 4.38Å; F562-L566 PolarHBondContact O-N 2.68Å; K563-L566 PolarHBondContact O-N 2.91Å; L566-K568 PolarHBondContact O-N 3.27Å; L566-G569 PolarHBondContact O-N 2.64Å; L566-M571 HydrophobicContact CD2-CB 4.03Å; L566-M571 WeakPolarHBondContact CD2-O 3.37Å; L566-Y789 HydrophobicContact CD2-CD1 3.99Å; L566-Y789 HydrophobicContact CD2-CE1 3.88Å
567S86.6Confident87.8Confident100 Ų10057.8 Ų57.870%0.69933%0.333SS*.THydrogen-bonded Turntrans-66.90.1179.876.20000114.9K563K563-S567 PolarHBondContact O-N 2.93Å; K563-S567 PolarHBondContact O-OG 2.94Å
568K84.4Confident87.6Confident140 Ų14062.3 Ų62.361%0.60935%0.354SS*.THydrogen-bonded Turntrans-113.57.3176.8-66.3-175.8-177.4-174.30112.9G564 H565 L566 Q570G564-K568 VanDerWaalsContact O-CD 3.31Å; G564-K568 WeakPolarHBondContact O-CD 3.22Å; G564-K568 WeakPolarHBondContact O-CE 3.25Å; G564-K568 WeakPolarHBondContact O-CG 3.46Å; H565-K568 PolarHBondContact O-N 2.86Å; L566-K568 PolarHBondContact O-N 3.27Å; K568-Q570 HydrophobicContact CB-CG 3.97Å; K568-Q570 PolarHBondContact O-N 3.14Å
569G83Confident87.2Confident48 Ų4862.1 Ų62.150%0.49536%0.358SS..THydrogen-bonded Turntrans62.125.7-176.600000113.5L566L566-G569 PolarHBondContact O-N 2.64Å
570Q87.1Confident86.8Confident22 Ų2263.2 Ų63.210%0.10338%0.376CS..SBendtrans-89-19.3-178.6-66.7176.5-27.700112.8H565 K568 E678 C792H565-Q570 PolarHBondContact ND1-OE1 2.77Å; H565-Q570 PolarHBondContact O-N 2.73Å; K568-Q570 HydrophobicContact CB-CG 3.97Å; K568-Q570 PolarHBondContact O-N 3.14Å; Q570-E678 PolarHBondContact NE2-O 3.47Å; Q570-C792 PolarHBondContact O-N 3.01Å
571M89.5Confident86.6Confident21 Ų2165.4 Ų65.410%0.10340%0.395CS..  trans-143134.5-179.9-63.9-74.6163.400108.7L566 V782 H790 Q791L566-M571 HydrophobicContact CD2-CB 4.03Å; L566-M571 WeakPolarHBondContact CD2-O 3.37Å; M571-V782 HydrophobicContact CE-CG2 4.08Å; M571-V782 HydrophobicContact SD-CB 4.15Å; M571-V782 HydrophobicContact SD-CG2 4.1Å; M571-H790 VanDerWaalsContact CA-O 3.28Å; M571-H790 WeakPolarHBondContact CA-O 3.33Å; M571-Q791 HydrophobicContact CE-CB 3.99Å; M571-Q791 HydrophobicContact CE-CG 3.71Å; M571-Q791 HydrophobicContact SD-CB 3.96Å; M571-Q791 HydrophobicContact SD-CG 4.23Å
572E90Very high86.2Confident117 Ų11767 Ų6755%0.54740%0.402SS..EExtended strand (participates in β ladder)trans-115.1142174.7-179.5177.4-173.100109.5Y789 H790 C792E572-Y789 CarbonylContact O-C 3.28Å; E572-Y789 WeakPolarHBondContact O-CA 3.45Å; E572-Y789 VanDerWaalsContact O-CB 3.28Å; E572-Y789 WeakPolarHBondContact O-CB 3.25Å; E572-H790 PolarHBondContact N-O 3.19Å; E572-H790 PolarHBondContact O-N 2.95Å; E572-C792 WeakPolarHBondContact CB-SG 3.33Å
573E91.4Very high85.8Confident87 Ų8771 Ų7141%0.40743%0.429SS..EExtended strand (participates in β ladder)trans-83.4122.5-179.3-168.4173.2139.800111.5K787 Y789E573-K787 WeakPolarHBondContact OE1-CD 3.33Å; E573-K787 WeakPolarHBondContact OE1-CE 3.19Å; E573-K787 IonicContact OE1-NZ 2.94Å; E573-K787 PolarHBondContact OE1-NZ 3.26Å; E573-K787 WeakPolarHBondContact OE2-CD 3.43Å; E573-K787 IonicContact OE2-NZ 3.69Å; E573-K787 PolarHBondContact OE2-NZ 3.46Å; E573-Y789 HydrophobicContact CB-CD1 3.85Å; E573-Y789 HydrophobicContact CB-CE1 3.62Å; E573-Y789 HydrophobicContact CG-CD1 4.14Å; E573-Y789 HydrophobicContact CG-CE1 3.68Å; E573-Y789 PolarHBondContact OE2-OH 3.2Å
574L89.9Confident85Confident25 Ų2574.1 Ų74.113%0.13144%0.442CS..PPolyproline II helixtrans-82.5128.8174.8-65.1176.7000110.2Q578 A579 L582 T788 H790L574-Q578 HydrophobicContact CB-CB 4.39Å; L574-Q578 HydrophobicContact CD2-CB 4.3Å; L574-A579 HydrophobicContact CB-CB 4.47Å; L574-L582 HydrophobicContact CD1-CD1 4.33Å; L574-L582 HydrophobicContact CD1-CD2 4.31Å; L574-T788 HydrophobicContact CD1-CG2 4.29Å; L574-T788 PolarHBondContact N-O 2.97Å; L574-H790 HydrophobicContact CD1-CB 4.42Å; L574-H790 HydrophobicContact CD2-CB 4.17Å; L574-H790 HydrophobicContact CG-CB 4.28Å
575S89.1Confident84.4Confident44 Ų4475.2 Ų75.231%0.30845%0.453SS..PPolyproline II helixtrans-59.7157.8171.667.90000111.5A577 Q578 A579S575-A577 PolarHBondContact O-N 2.89Å; S575-Q578 VanDerWaalsContact CB-OE1 3.27Å; S575-Q578 PolarHBondContact O-N 3.38Å; S575-Q578 VanDerWaalsContact OG-CD 3.27Å; S575-Q578 WeakPolarHBondContact OG-CG 3.48Å; S575-Q578 PolarHBondContact OG-N 3.03Å; S575-Q578 PolarHBondContact OG-OE1 3.49Å; S575-A579 WeakPolarHBondContact O-CB 3.38Å; S575-A579 PolarHBondContact O-N 3.48Å
576P85.1Confident84.2Confident118 Ų11875.2 Ų75.277%0.76646%0.456SS*.Hα-helixtrans-56-33.5177.6-2736000113.8A580P576-A580 WeakPolarHBondContact O-CB 3.41Å; P576-A580 PolarHBondContact O-N 2.91Å
577A86.1Confident84Confident73 Ų7373.1 Ų73.160%0.60345%0.445SS*.Hα-helixtrans-68.4-51.4175.700000111.8S575 A579 A580 S581S575-A577 PolarHBondContact O-N 2.89Å; A577-A579 VanDerWaalsContact C-N 3.27Å; A577-A579 PolarHBondContact O-N 3.49Å; A577-A580 PolarHBondContact O-N 2.87Å; A577-A580 VanDerWaalsContact O-N 3.08Å; A577-S581 PolarHBondContact O-N 2.66Å; A577-S581 PolarHBondContact O-OG 3Å
578Q86Confident84Confident95 Ų9571.1 Ų71.144%0.44443%0.426SS..Hα-helixtrans-60.4-36.8175.8-70.9160.2-44.500112.1L574 S575 A580 S581 L582L574-Q578 HydrophobicContact CB-CB 4.39Å; L574-Q578 HydrophobicContact CD2-CB 4.3Å; S575-Q578 VanDerWaalsContact CB-OE1 3.27Å; S575-Q578 PolarHBondContact O-N 3.38Å; S575-Q578 VanDerWaalsContact OG-CD 3.27Å; S575-Q578 WeakPolarHBondContact OG-CG 3.48Å; S575-Q578 PolarHBondContact OG-N 3.03Å; S575-Q578 PolarHBondContact OG-OE1 3.49Å; Q578-A580 VanDerWaalsContact C-N 3.33Å; Q578-S581 WeakPolarHBondContact CA-OG 3.3Å; Q578-S581 PolarHBondContact O-N 2.88Å; Q578-S581 PolarHBondContact O-OG 3.26Å; Q578-S581 VanDerWaalsContact O-OG 3.12Å; Q578-L582 WeakPolarHBondContact O-CG 3.48Å; Q578-L582 PolarHBondContact O-N 2.9Å
579A82.1Confident84.1Confident31 Ų3165 Ų6526%0.25640%0.401SS..Hα-helixtrans-69.3-29.6176.500000112.9L574 S575 A577L574-A579 HydrophobicContact CB-CB 4.47Å; S575-A579 WeakPolarHBondContact O-CB 3.38Å; S575-A579 PolarHBondContact O-N 3.48Å; A577-A579 VanDerWaalsContact C-N 3.27Å; A577-A579 PolarHBondContact O-N 3.49Å
580A81Confident84.3Confident86 Ų8669 Ų6971%0.71140%0.401SS*.Hα-helixtrans-80-31.7173.600000112.9P576 A577 Q578 L582P576-A580 WeakPolarHBondContact O-CB 3.41Å; P576-A580 PolarHBondContact O-N 2.91Å; A577-A580 PolarHBondContact O-N 2.87Å; A577-A580 VanDerWaalsContact O-N 3.08Å; Q578-A580 VanDerWaalsContact C-N 3.33Å; A580-L582 VanDerWaalsContact C-N 3.26Å; A580-L582 PolarHBondContact O-N 2.94Å
581S84.6Confident84.4Confident93 Ų9368.3 Ų68.365%0.6540%0.398SS*.SBendtrans-80.50.3175.6700000114.1A577 Q578A577-S581 PolarHBondContact O-N 2.66Å; A577-S581 PolarHBondContact O-OG 3Å; Q578-S581 WeakPolarHBondContact CA-OG 3.3Å; Q578-S581 PolarHBondContact O-N 2.88Å; Q578-S581 PolarHBondContact O-OG 3.26Å; Q578-S581 VanDerWaalsContact O-OG 3.12Å
582L81.1Confident84.3Confident46 Ų4668.9 Ų68.924%0.24140%0.399CS..SBendtrans-58.4136.3172.9-73.4176.7000110.7L574 Q578 A580 K584 V781L574-L582 HydrophobicContact CD1-CD1 4.33Å; L574-L582 HydrophobicContact CD1-CD2 4.31Å; Q578-L582 WeakPolarHBondContact O-CG 3.48Å; Q578-L582 PolarHBondContact O-N 2.9Å; A580-L582 VanDerWaalsContact C-N 3.26Å; A580-L582 PolarHBondContact O-N 2.94Å; L582-K584 PolarHBondContact O-N 2.92Å; L582-V781 HydrophobicContact CD1-CG1 4.07Å; L582-V781 HydrophobicContact CD1-CG2 4.19Å; L582-V781 HydrophobicContact CD2-CG2 4.19Å
583P81.2Confident84.3Confident91 Ų9163.3 Ų63.359%0.59137%0.373SS*.  trans-50.8139178-3034.6000113.1G585 T586P583-G585 PolarHBondContact O-N 3.08Å; P583-T586 VanDerWaalsContact O-CB 3.29Å; P583-T586 WeakPolarHBondContact O-CB 3.46Å; P583-T586 PolarHBondContact O-N 2.79Å; P583-T586 PolarHBondContact O-OG1 3.34Å; P583-T586 VanDerWaalsContact O-OG1 3.07Å
584K71.7Confident84.3Confident203 Ų20359.9 Ų59.988%0.88336%0.358SS*.THydrogen-bonded Turntrans-55.1-26.7-178.6-65.3176.9-177.41720112.7L582 K612L582-K584 PolarHBondContact O-N 2.92Å; K584-K612 WeakPolarHBondContact O-CD 3.36Å; K584-K612 PolarHBondContact O-NZ 3.43Å
585G71.4Confident84.3Confident52 Ų5258.7 Ų58.754%0.53635%0.351SS..THydrogen-bonded Turntrans-77-15.6174.800000116.4P583P583-G585 PolarHBondContact O-N 3.08Å
586T79.9Confident84.3Confident27 Ų2759.6 Ų59.617%0.16635%0.35CS..  trans-59.6139.5-174.2-60.60000112.5P583 K612 V781P583-T586 VanDerWaalsContact O-CB 3.29Å; P583-T586 WeakPolarHBondContact O-CB 3.46Å; P583-T586 PolarHBondContact O-N 2.79Å; P583-T586 PolarHBondContact O-OG1 3.34Å; P583-T586 VanDerWaalsContact O-OG1 3.07Å; T586-K612 PolarHBondContact O-NZ 3.43Å; T586-V781 HydrophobicContact CG2-CB 4.27Å; T586-V781 HydrophobicContact CG2-CG2 3.89Å
587V83.7Confident84.1Confident16 Ų1659.2 Ų59.210%0.09735%0.35CS..  trans-111.7113.8-173.3173.40000110.1V606 F616V587-V606 HydrophobicContact CG1-CB 4.45Å; V587-V606 HydrophobicContact CG1-CG1 3.35Å; V587-V606 HydrophobicContact CG1-CG2 4.33Å; V587-F616 HydrophobicContact CB-CD1 4.34Å; V587-F616 HydrophobicContact CB-CD2 4.26Å; V587-F616 HydrophobicContact CB-CG 4.13Å; V587-F616 HydrophobicContact CG1-CD1 3.88Å; V587-F616 HydrophobicContact CG1-CE1 4.21Å; V587-F616 HydrophobicContact CG1-CG 4.12Å; V587-F616 HydrophobicContact CG2-CB 3.8Å; V587-F616 HydrophobicContact CG2-CD2 4.16Å; V587-F616 HydrophobicContact CG2-CG 3.93Å
588I85.2Confident83.8Confident58 Ų5860.3 Ų60.330%0.29735%0.346SS..EExtended strand (participates in β ladder)trans-89.8128-173.2-58.9175.7000110.4I607 V781 Q783I588-I607 HydrophobicContact CG2-CD1 4.25Å; I588-I607 PolarHBondContact O-N 3.33Å; I588-V781 HydrophobicContact CG1-CG1 4.18Å; I588-Q783 HydrophobicContact CG2-CB 3.75Å
589S87.4Confident83.8Confident13 Ų1356.2 Ų56.29%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-97.6138.6174.5-74.30000112V781 V782 Q783S589-V781 PolarHBondContact N-O 3.1Å; S589-V782 CarbonylContact O-C 3.52Å; S589-V782 VanDerWaalsContact O-CA 3.25Å; S589-V782 WeakPolarHBondContact O-CA 3.22Å; S589-Q783 PolarHBondContact O-N 3.47Å
590R87.5Confident84.1Confident130 Ų13055.5 Ų55.549%0.49132%0.32SS..EExtended strand (participates in β ladder)trans-91134.7170.6-173.9172.3179.5125.46110.9T604 R605 I607R590-T604 CarbonylContact O-C 3.31Å; R590-T604 WeakPolarHBondContact O-CA 3.17Å; R590-R605 PolarHBondContact N-O 3.29Å; R590-R605 PolarHBondContact O-N 2.91Å; R590-I607 HydrophobicContact CB-CD1 3.78Å; R590-I607 HydrophobicContact CB-CG1 3.68Å
591L87.8Confident84.5Confident9 Ų955.7 Ų55.75%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-78.7139.9170.5-161.364000112.1F562 F593 P602 T604 V782 Q783 Y784F562-L591 HydrophobicContact CD2-CD2 3.56Å; F562-L591 HydrophobicContact CE2-CD2 3.89Å; L591-F593 HydrophobicContact CD2-CE1 4.13Å; L591-F593 HydrophobicContact CD2-CE2 4Å; L591-F593 HydrophobicContact CD2-CZ 3.52Å; L591-F593 HydrophobicContact CG-CE2 4.46Å; L591-F593 HydrophobicContact CG-CZ 4.22Å; L591-P602 HydrophobicContact CD1-CB 3.83Å; L591-T604 HydrophobicContact CD1-CG2 4.32Å; L591-V782 HydrophobicContact CB-CG1 4.01Å; L591-Q783 PolarHBondContact N-O 3.26Å; L591-Y784 HydrophobicContact CB-CD2 4.37Å; L591-Y784 HydrophobicContact CD2-CD2 4.35Å
592R88.4Confident84.8Confident32 Ų3251.8 Ų51.812%0.12128%0.275CS..EExtended strand (participates in β ladder)trans-136.4140.5169.3171.7-177.6172.6-122.3-11.5108.9T537 E538 P602 I603T537-R592 PolarHBondContact OG1-NH2 3.02Å; E538-R592 IonicContact OE1-CZ 2.69Å; E538-R592 IonicContact OE1-NH1 3.45Å; E538-R592 PolarHBondContact OE1-NH1 3.3Å; E538-R592 IonicContact OE1-NH2 3.48Å; E538-R592 PolarHBondContact OE1-NH2 2.94Å; E538-R592 IonicContact OE2-NH2 2.7Å; E538-R592 PolarHBondContact OE2-NH2 3.06Å; R592-P602 CarbonylContact O-C 3.47Å; R592-I603 PolarHBondContact N-O 3.27Å; R592-I603 PolarHBondContact O-N 2.91Å
593F90.2Very high85.1Confident0 Ų051.8 Ų51.80%028%0.275CS..EExtended strand (participates in β ladder)trans-100.9154.5173.6-64-73.9000113.6Q558 A561 F562 H565 L591 M600 R601 P602 Y784Q558-F593 HydrophobicContact CB-CD2 4.06Å; Q558-F593 HydrophobicContact CB-CE2 4.31Å; Q558-F593 HydrophobicContact CG-CD2 3.99Å; Q558-F593 WeakPolarHBondContact O-CE2 3.5Å; A561-F593 HydrophobicContact CB-CD1 4.1Å; A561-F593 HydrophobicContact CB-CD2 4.41Å; A561-F593 HydrophobicContact CB-CE1 3.84Å; A561-F593 HydrophobicContact CB-CE2 4.17Å; A561-F593 HydrophobicContact CB-CG 4.37Å; A561-F593 HydrophobicContact CB-CZ 3.87Å; F562-F593 HydrophobicContact CB-CE2 4.27Å; F562-F593 HydrophobicContact CB-CZ 4.1Å; F562-F593 HydrophobicContact CD2-CZ 4.46Å; H565-F593 AromaticContact CD2-CE1 3.96Å; H565-F593 AromaticContact NE2-CE1 3.82Å; L591-F593 HydrophobicContact CD2-CE1 4.13Å; L591-F593 HydrophobicContact CD2-CE2 4Å; L591-F593 HydrophobicContact CD2-CZ 3.52Å; L591-F593 HydrophobicContact CG-CE2 4.46Å; L591-F593 HydrophobicContact CG-CZ 4.22Å; F593-M600 HydrophobicContact CB-CB 4.24Å; F593-M600 HydrophobicContact CB-CE 3.45Å; F593-M600 VanDerWaalsContact CB-CE 3.45Å; F593-M600 HydrophobicContact CB-SD 4.36Å; F593-M600 HydrophobicContact CD1-CB 3.98Å; F593-M600 HydrophobicContact CG-CB 4.33Å; F593-M600 HydrophobicContact CG-CE 4.27Å; F593-R601 CarbonylContact C-O 3.57Å; F593-R601 WeakPolarHBondContact CA-O 3.18Å; F593-P602 HydrophobicContact CD1-CB 4.29Å; F593-P602 HydrophobicContact CE1-CB 4.06Å; F593-Y784 HydrophobicContact CE2-CE2 4.13Å
594I90.9Very high85.4Confident16 Ų1648.3 Ų48.38%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-126.9129.5167.7-62.4-173.8000109.6E538 V540 R601 I603E538-I594 HydrophobicContact CG-CD1 4.04Å; E538-I594 HydrophobicContact CG-CG2 4.14Å; E538-I594 VanDerWaalsContact OE1-CD1 3.29Å; E538-I594 WeakPolarHBondContact OE1-CD1 3.5Å; V540-I594 HydrophobicContact CG2-CG2 4.17Å; I594-R601 PolarHBondContact N-O 3.14Å; I594-R601 PolarHBondContact O-N 3.03Å; I594-I603 HydrophobicContact CD1-CD1 3.53Å; I594-I603 HydrophobicContact CG1-CD1 4.19Å
595P91Very high85.9Confident0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-58.6138174.4-28.537.9000114.6L426 T537 S539 V540 Y549 W554 M600L426-P595 HydrophobicContact CD2-CB 3.76Å; L426-P595 HydrophobicContact CD2-CG 4.42Å; T537-P595 HydrophobicContact CG2-CG 4.09Å; S539-P595 PolarHBondContact OG-O 3.1Å; V540-P595 PolarHBondContact N-O 2.83Å; Y549-P595 HydrophobicContact CE2-CG 3.91Å; W554-P595 HydrophobicContact CH2-CG 4.24Å; W554-P595 HydrophobicContact CZ3-CG 3.83Å; P595-M600 HydrophobicContact CB-SD 4.21Å; P595-M600 HydrophobicContact CG-SD 3.96Å
596K88.6Confident86.4Confident63 Ų6345.3 Ų45.327%0.27422%0.223SC..  trans-101.9-156.9161.2-53.2179.5-177.6175.40109.5V540 D598 G599V540-K596 HydrophobicContact CG2-CG 4.26Å; K596-D598 WeakPolarHBondContact CB-OD1 3.29Å; K596-D598 VanDerWaalsContact CD-OD1 3.3Å; K596-D598 WeakPolarHBondContact CD-OD1 3.36Å; K596-G599 WeakPolarHBondContact CB-O 3.37Å; K596-G599 PolarHBondContact N-O 3.19Å
597S79.8Confident85.9Confident110 Ų11047.4 Ų47.477%0.76923%0.232SC*.SBendtrans-83-38.2166.337.20000112.5
598D80.3Confident85.1Confident96 Ų9648.2 Ų48.251%0.51324%0.243SC..SBendtrans-111.5-23-164.958.7-37.2000113.2K596K596-D598 WeakPolarHBondContact CB-OD1 3.29Å; K596-D598 VanDerWaalsContact CD-OD1 3.3Å; K596-D598 WeakPolarHBondContact CD-OD1 3.36Å
599G86.1Confident84.3Confident8 Ų850.3 Ų50.38%0.08226%0.259CS..SBendtrans-169.1-152.1-177.700000113.6K596K596-G599 WeakPolarHBondContact CB-O 3.37Å; K596-G599 PolarHBondContact N-O 3.19Å
600M88.9Confident84Confident17 Ų1752.3 Ų52.38%0.08427%0.269CS..EExtended strand (participates in β ladder)trans-123.4137.2-175.7-68.1-73.5-9700109.9L422 L426 W554 L557 A561 F593 P595L422-M600 HydrophobicContact CD1-CG 4.28Å; L426-M600 HydrophobicContact CD2-SD 4.12Å; W554-M600 HydrophobicContact CE3-CE 4.49Å; W554-M600 HydrophobicContact CH2-CE 3.48Å; W554-M600 VanDerWaalsContact CH2-CE 3.48Å; W554-M600 HydrophobicContact CZ2-CE 4.08Å; W554-M600 HydrophobicContact CZ3-CE 3.71Å; L557-M600 HydrophobicContact CB-CE 4.16Å; A561-M600 HydrophobicContact CB-CB 3.72Å; A561-M600 HydrophobicContact CB-CG 3.92Å; F593-M600 HydrophobicContact CB-CB 4.24Å; F593-M600 HydrophobicContact CB-CE 3.45Å; F593-M600 VanDerWaalsContact CB-CE 3.45Å; F593-M600 HydrophobicContact CB-SD 4.36Å; F593-M600 HydrophobicContact CD1-CB 3.98Å; F593-M600 HydrophobicContact CG-CB 4.33Å; F593-M600 HydrophobicContact CG-CE 4.27Å; P595-M600 HydrophobicContact CB-SD 4.21Å; P595-M600 HydrophobicContact CG-SD 3.96Å
601R88.8Confident83.7Confident89 Ų8951.4 Ų51.434%0.33628%0.279SS..EExtended strand (participates in β ladder)trans-94.7121.1172.9179.9169.3-110.7158.10.8109.9F593 I594 Q797F593-R601 CarbonylContact C-O 3.57Å; F593-R601 WeakPolarHBondContact CA-O 3.18Å; I594-R601 PolarHBondContact N-O 3.14Å; I594-R601 PolarHBondContact O-N 3.03Å; R601-Q797 VanDerWaalsContact NE-OE1 3.11Å
602P90Very high83.6Confident11 Ų1155.2 Ų55.27%0.07130%0.296CS..EExtended strand (participates in β ladder)trans-71.2143.1172.331.1-36.2000111.1L591 R592 F593 E678 Q797L591-P602 HydrophobicContact CD1-CB 3.83Å; R592-P602 CarbonylContact O-C 3.47Å; F593-P602 HydrophobicContact CD1-CB 4.29Å; F593-P602 HydrophobicContact CE1-CB 4.06Å; P602-E678 HydrophobicContact CG-CG 4.16Å; P602-Q797 VanDerWaalsContact O-CB 3.31Å; P602-Q797 WeakPolarHBondContact O-CB 3.47Å; P602-Q797 PolarHBondContact O-OE1 3.06Å; P602-Q797 VanDerWaalsContact O-OE1 3.05Å
603I88.9Confident83.4Confident47 Ų4753.9 Ų53.924%0.24129%0.291CS..EExtended strand (participates in β ladder)trans-138.5124.4168.1-62.6-173.8000108.3R592 I594 Q797R592-I603 PolarHBondContact N-O 3.27Å; R592-I603 PolarHBondContact O-N 2.91Å; I594-I603 HydrophobicContact CD1-CD1 3.53Å; I594-I603 HydrophobicContact CG1-CD1 4.19Å; I603-Q797 CarbonylContact C-O 3.43Å; I603-Q797 WeakPolarHBondContact CA-O 3.47Å
604T86.5Confident83.1Confident17 Ų1759.5 Ų59.510%0.10431%0.312CS..EExtended strand (participates in β ladder)trans-82.6140.2172.449.80000111.1R590 L591 V782 P796 Q797R590-T604 CarbonylContact O-C 3.31Å; R590-T604 WeakPolarHBondContact O-CA 3.17Å; L591-T604 HydrophobicContact CD1-CG2 4.32Å; T604-V782 HydrophobicContact CG2-CG2 4.44Å; T604-P796 HydrophobicContact CG2-CB 4.15Å; T604-P796 WeakPolarHBondContact OG1-CB 3.45Å; T604-Q797 PolarHBondContact N-O 3.44Å; T604-Q797 PolarHBondContact OG1-O 3.44Å
605R83.2Confident82.9Confident157 Ų15764.2 Ų64.259%0.59234%0.337SS*.EExtended strand (participates in β ladder)trans-130.9116.1168.4179-170.1-65.2-167.4-1.9109.6R590 I607R590-R605 PolarHBondContact N-O 3.29Å; R590-R605 PolarHBondContact O-N 2.91Å; R605-I607 PolarHBondContact O-N 3.07Å
606V80.8Confident82.8Confident36 Ų3666.6 Ų66.622%0.21835%0.347CS..EExtended strand (participates in β ladder)trans-49.9128.8170.5178.30000110.8V587 T613 F616V587-V606 HydrophobicContact CG1-CB 4.45Å; V587-V606 HydrophobicContact CG1-CG1 3.35Å; V587-V606 HydrophobicContact CG1-CG2 4.33Å; V606-T613 HydrophobicContact CG1-CG2 3.56Å; V606-F616 HydrophobicContact CG2-CE1 4.22Å
607I70.2Confident82.8Confident71 Ų7167.2 Ų67.236%0.36435%0.351SS..  trans-93.7127.3177.3-45172.5000108.5I588 R590 R605 Q783I588-I607 HydrophobicContact CG2-CD1 4.25Å; I588-I607 PolarHBondContact O-N 3.33Å; R590-I607 HydrophobicContact CB-CD1 3.78Å; R590-I607 HydrophobicContact CB-CG1 3.68Å; R605-I607 PolarHBondContact O-N 3.07Å; I607-Q783 HydrophobicContact CD1-CB 4.4Å
608G67.1Low83.1Confident32 Ų3263.2 Ų63.233%0.3333%0.325SS..  trans138.4162.1171.700000114D610G608-D610 WeakPolarHBondContact CA-OD1 3.23Å
609T67.9Low83.6Confident102 Ų10261.6 Ų61.663%0.62631%0.312SS*.  trans-138.39167.956.40000111.9R614T609-R614 VanDerWaalsContact O-CZ 3.29Å; T609-R614 PolarHBondContact O-NE 3.19Å; T609-R614 PolarHBondContact O-NH2 3.37Å
610D81.5Confident83.8Confident56 Ų5661.6 Ų61.630%0.29931%0.31SS..SBendtrans-66.2163.6172.948.4-79.9000112.7G608 K612 T613 R614G608-D610 WeakPolarHBondContact CA-OD1 3.23Å; D610-K612 PolarHBondContact O-N 3.26Å; D610-K612 WeakPolarHBondContact OD2-CG 3.44Å; D610-T613 VanDerWaalsContact CG-OG1 3.29Å; D610-T613 PolarHBondContact O-N 2.95Å; D610-T613 PolarHBondContact OD1-OG1 2.91Å; D610-T613 WeakPolarHBondContact OD2-CB 3.47Å; D610-T613 PolarHBondContact OD2-N 3.38Å; D610-T613 PolarHBondContact OD2-OG1 3.2Å; D610-R614 WeakPolarHBondContact O-CG 3.49Å; D610-R614 PolarHBondContact O-N 3.04Å; D610-R614 VanDerWaalsContact O-N 3.14Å
611P81.6Confident83.9Confident110 Ų11066.5 Ų66.571%0.71433%0.328SS*.Hα-helixtrans-58.5-44.9-177.1-26.736.2000114T613 R614 L615P611-T613 PolarHBondContact O-N 2.92Å; P611-R614 PolarHBondContact O-N 3.15Å; P611-R614 VanDerWaalsContact O-N 3.14Å; P611-L615 WeakPolarHBondContact O-CB 3.35Å; P611-L615 PolarHBondContact O-N 2.63Å
612K84.4Confident84Confident90 Ų9063.1 Ų63.139%0.39132%0.316SS..Hα-helixtrans-62.3-41-179.264.7169-176.3167.20112.3K584 T586 D610 R614 L615 F616K584-K612 WeakPolarHBondContact O-CD 3.36Å; K584-K612 PolarHBondContact O-NZ 3.43Å; T586-K612 PolarHBondContact O-NZ 3.43Å; D610-K612 PolarHBondContact O-N 3.26Å; D610-K612 WeakPolarHBondContact OD2-CG 3.44Å; K612-R614 VanDerWaalsContact C-N 3.35Å; K612-R614 PolarHBondContact O-N 3.31Å; K612-L615 PolarHBondContact O-N 3.4Å; K612-F616 WeakPolarHBondContact O-CB 3.33Å; K612-F616 PolarHBondContact O-N 3.2Å
613T84.9Confident84.1Confident3 Ų362.7 Ų62.72%0.01831%0.313CS..Hα-helixtrans-63.2-39.6174.8-66.80000112.1V606 D610 P611 Q617V606-T613 HydrophobicContact CG1-CG2 3.56Å; D610-T613 VanDerWaalsContact CG-OG1 3.29Å; D610-T613 PolarHBondContact O-N 2.95Å; D610-T613 PolarHBondContact OD1-OG1 2.91Å; D610-T613 WeakPolarHBondContact OD2-CB 3.47Å; D610-T613 PolarHBondContact OD2-N 3.38Å; D610-T613 PolarHBondContact OD2-OG1 3.2Å; P611-T613 PolarHBondContact O-N 2.92Å; T613-Q617 WeakPolarHBondContact O-CB 3.2Å; T613-Q617 VanDerWaalsContact O-CG 3.24Å; T613-Q617 WeakPolarHBondContact O-CG 3.05Å; T613-Q617 PolarHBondContact O-N 3.16Å
614R84.8Confident84.4Confident118 Ų11861 Ų6145%0.44531%0.305SS..Hα-helixtrans-67.1-42.2175.6-65.9178.7-161.6-159.15.3112T609 D610 P611 K612 Q617 A618T609-R614 VanDerWaalsContact O-CZ 3.29Å; T609-R614 PolarHBondContact O-NE 3.19Å; T609-R614 PolarHBondContact O-NH2 3.37Å; D610-R614 WeakPolarHBondContact O-CG 3.49Å; D610-R614 PolarHBondContact O-N 3.04Å; D610-R614 VanDerWaalsContact O-N 3.14Å; P611-R614 PolarHBondContact O-N 3.15Å; P611-R614 VanDerWaalsContact O-N 3.14Å; K612-R614 VanDerWaalsContact C-N 3.35Å; K612-R614 PolarHBondContact O-N 3.31Å; R614-Q617 CarbonylContact O-C 3.35Å; R614-Q617 PolarHBondContact O-N 2.86Å; R614-A618 PolarHBondContact O-N 2.95Å
615L86.6Confident84.6Confident115 Ų11560.5 Ų60.560%0.60230%0.301SS*.Hα-helixtrans-63.2-48.5178.2179.560.4000111.3P611 K612 Q617 A618 R619P611-L615 WeakPolarHBondContact O-CB 3.35Å; P611-L615 PolarHBondContact O-N 2.63Å; K612-L615 PolarHBondContact O-N 3.4Å; L615-Q617 VanDerWaalsContact C-N 3.32Å; L615-Q617 PolarHBondContact O-N 2.77Å; L615-A618 WeakPolarHBondContact O-CA 3.07Å; L615-A618 VanDerWaalsContact O-CB 3.31Å; L615-A618 WeakPolarHBondContact O-CB 3.34Å; L615-A618 PolarHBondContact O-N 3.05Å; L615-R619 HydrophobicContact CD1-CG 4.36Å; L615-R619 WeakPolarHBondContact O-CG 3.19Å; L615-R619 PolarHBondContact O-N 2.88Å
616F87.6Confident85Confident50 Ų5053 Ų5322%0.21927%0.273CS..Hα-helixtrans-57-45.3173.3-179.6-91.4000111.6V587 V606 K612 A618 R619 V620 F772 M776V587-F616 HydrophobicContact CB-CD1 4.34Å; V587-F616 HydrophobicContact CB-CD2 4.26Å; V587-F616 HydrophobicContact CB-CG 4.13Å; V587-F616 HydrophobicContact CG1-CD1 3.88Å; V587-F616 HydrophobicContact CG1-CE1 4.21Å; V587-F616 HydrophobicContact CG1-CG 4.12Å; V587-F616 HydrophobicContact CG2-CB 3.8Å; V587-F616 HydrophobicContact CG2-CD2 4.16Å; V587-F616 HydrophobicContact CG2-CG 3.93Å; V606-F616 HydrophobicContact CG2-CE1 4.22Å; K612-F616 WeakPolarHBondContact O-CB 3.33Å; K612-F616 PolarHBondContact O-N 3.2Å; F616-A618 PolarHBondContact O-N 3.37Å; F616-R619 PolarHBondContact O-N 2.83Å; F616-V620 HydrophobicContact CD1-CG2 3.98Å; F616-V620 HydrophobicContact CE1-CG2 3.69Å; F616-V620 HydrophobicContact CE2-CG2 4.45Å; F616-V620 HydrophobicContact CG-CG2 4.49Å; F616-V620 HydrophobicContact CZ-CG2 3.96Å; F616-V620 VanDerWaalsContact O-CG2 3.31Å; F616-V620 WeakPolarHBondContact O-CG2 3.4Å; F616-V620 PolarHBondContact O-N 2.75Å; F616-F772 AromaticContact CD2-CE2 3.85Å; F616-F772 HydrophobicContact CD2-CE2 3.85Å; F616-F772 AromaticContact CD2-CZ 3.75Å; F616-F772 HydrophobicContact CD2-CZ 3.75Å; F616-F772 HydrophobicContact CE2-CE2 4.18Å; F616-F772 AromaticContact CE2-CZ 3.84Å; F616-F772 HydrophobicContact CE2-CZ 3.84Å; F616-F772 HydrophobicContact CG-CZ 4.41Å; F616-M776 HydrophobicContact CE2-CB 4.41Å; F616-M776 HydrophobicContact CE2-CG 4.11Å; F616-M776 HydrophobicContact CZ-CG 3.92Å
617Q88.2Confident85.6Confident76 Ų7651.3 Ų51.336%0.35526%0.263SS..Hα-helixtrans-66.8-16.9174.4-71.7177.922.600114T613 R614 L615 R621T613-Q617 WeakPolarHBondContact O-CB 3.2Å; T613-Q617 VanDerWaalsContact O-CG 3.24Å; T613-Q617 WeakPolarHBondContact O-CG 3.05Å; T613-Q617 PolarHBondContact O-N 3.16Å; R614-Q617 CarbonylContact O-C 3.35Å; R614-Q617 PolarHBondContact O-N 2.86Å; L615-Q617 VanDerWaalsContact C-N 3.32Å; L615-Q617 PolarHBondContact O-N 2.77Å; Q617-R621 VanDerWaalsContact O-CZ 3.23Å; Q617-R621 PolarHBondContact O-NE 3.33Å; Q617-R621 PolarHBondContact O-NH2 2.84Å
618A87.1Confident86.7Confident26 Ų2653.7 Ų53.722%0.21527%0.267CS..Hα-helixtrans-77.2-57.4166.300000109.3R614 L615 F616 V620 R621 D622R614-A618 PolarHBondContact O-N 2.95Å; L615-A618 WeakPolarHBondContact O-CA 3.07Å; L615-A618 VanDerWaalsContact O-CB 3.31Å; L615-A618 WeakPolarHBondContact O-CB 3.34Å; L615-A618 PolarHBondContact O-N 3.05Å; F616-A618 PolarHBondContact O-N 3.37Å; A618-V620 VanDerWaalsContact C-N 3.3Å; A618-V620 PolarHBondContact O-N 3Å; A618-V620 VanDerWaalsContact O-N 3.17Å; A618-R621 CarbonylContact O-C 3.58Å; A618-R621 WeakPolarHBondContact O-CA 3.45Å; A618-R621 WeakPolarHBondContact O-CB 3.3Å; A618-R621 PolarHBondContact O-N 3.49Å; A618-D622 PolarHBondContact O-N 2.83Å
619R89.9Confident87.8Confident62 Ų6252.2 Ų52.223%0.23425%0.252CS..Hα-helixtrans-56-36.5-177-61.5-67.2-77.7-150.6-5.5114.1L615 F616 R621 D622 L623 E768 F772L615-R619 HydrophobicContact CD1-CG 4.36Å; L615-R619 WeakPolarHBondContact O-CG 3.19Å; L615-R619 PolarHBondContact O-N 2.88Å; F616-R619 PolarHBondContact O-N 2.83Å; R619-R621 VanDerWaalsContact C-N 3.32Å; R619-R621 PolarHBondContact O-N 2.95Å; R619-D622 VanDerWaalsContact CA-OD2 3.27Å; R619-D622 WeakPolarHBondContact CA-OD2 3.33Å; R619-D622 PolarHBondContact N-OD2 3.13Å; R619-D622 PolarHBondContact O-N 2.98Å; R619-L623 WeakPolarHBondContact O-CB 3.47Å; R619-L623 PolarHBondContact O-N 2.87Å; R619-E768 IonicContact CZ-OE2 3.42Å; R619-E768 IonicContact NH1-OE2 2.74Å; R619-E768 PolarHBondContact NH1-OE2 3.33Å; R619-E768 PolarHBondContact NH2-O 3.47Å; R619-E768 IonicContact NH2-OE2 3.21Å; R619-E768 PolarHBondContact NH2-OE2 3.28Å; R619-F772 VanDerWaalsContact C-CE1 3.45Å; R619-F772 HydrophobicContact CB-CD1 3.82Å; R619-F772 HydrophobicContact CB-CD2 3.65Å; R619-F772 HydrophobicContact CB-CE1 3.68Å; R619-F772 HydrophobicContact CB-CE2 3.49Å; R619-F772 VanDerWaalsContact CB-CE2 3.49Å; R619-F772 HydrophobicContact CB-CG 3.81Å; R619-F772 HydrophobicContact CB-CZ 3.52Å; R619-F772 HydrophobicContact CG-CD2 4.23Å; R619-F772 HydrophobicContact CG-CE2 4.27Å
620V91.6Very high88.9Confident9 Ų947.6 Ų47.66%0.05522%0.224CC..Hα-helixtrans-62.6-35.2172174.10000112.8F616 A618 L624 F772 M776 S799 V800 V801F616-V620 HydrophobicContact CD1-CG2 3.98Å; F616-V620 HydrophobicContact CE1-CG2 3.69Å; F616-V620 HydrophobicContact CE2-CG2 4.45Å; F616-V620 HydrophobicContact CG-CG2 4.49Å; F616-V620 HydrophobicContact CZ-CG2 3.96Å; F616-V620 VanDerWaalsContact O-CG2 3.31Å; F616-V620 WeakPolarHBondContact O-CG2 3.4Å; F616-V620 PolarHBondContact O-N 2.75Å; A618-V620 VanDerWaalsContact C-N 3.3Å; A618-V620 PolarHBondContact O-N 3Å; A618-V620 VanDerWaalsContact O-N 3.17Å; V620-L624 WeakPolarHBondContact O-CB 3.21Å; V620-L624 PolarHBondContact O-N 2.76Å; V620-F772 HydrophobicContact CB-CE1 4.44Å; V620-F772 HydrophobicContact CG2-CE1 3.81Å; V620-F772 HydrophobicContact CG2-CZ 3.76Å; V620-M776 HydrophobicContact CG2-SD 3.86Å; V620-S799 WeakPolarHBondContact CG1-OG 3.45Å; V620-V800 HydrophobicContact CG1-CG2 3.87Å; V620-V801 HydrophobicContact CG1-CB 4.36Å; V620-V801 HydrophobicContact CG1-CG1 4.03Å
621R91.1Very high89.5Confident119 Ų11945.9 Ų45.945%0.44922%0.215SC..Hα-helixtrans-78.4-33.7173.7-78177.1-78.5-157-7.2111.5Q617 A618 R619 L624 D625 R723 V800Q617-R621 VanDerWaalsContact O-CZ 3.23Å; Q617-R621 PolarHBondContact O-NE 3.33Å; Q617-R621 PolarHBondContact O-NH2 2.84Å; A618-R621 CarbonylContact O-C 3.58Å; A618-R621 WeakPolarHBondContact O-CA 3.45Å; A618-R621 WeakPolarHBondContact O-CB 3.3Å; A618-R621 PolarHBondContact O-N 3.49Å; R619-R621 VanDerWaalsContact C-N 3.32Å; R619-R621 PolarHBondContact O-N 2.95Å; R621-L624 PolarHBondContact O-N 3.03Å; R621-D625 PolarHBondContact O-N 2.65Å; R621-R723 PolarHBondContact O-NH1 2.81Å; R621-V800 HydrophobicContact CG-CG2 3.91Å
622D90.4Very high89.8Confident19 Ų1946.4 Ų46.410%0.10220%0.203CC..Hα-helixtrans-62.3-51.8176.9-54.2-26.2000110A618 R619 L624 D625 V626 R723 L764A618-D622 PolarHBondContact O-N 2.83Å; R619-D622 VanDerWaalsContact CA-OD2 3.27Å; R619-D622 WeakPolarHBondContact CA-OD2 3.33Å; R619-D622 PolarHBondContact N-OD2 3.13Å; R619-D622 PolarHBondContact O-N 2.98Å; D622-L624 VanDerWaalsContact C-N 3.35Å; D622-L624 PolarHBondContact O-N 3.01Å; D622-D625 PolarHBondContact O-N 3.4Å; D622-D625 VanDerWaalsContact O-N 3.14Å; D622-V626 WeakPolarHBondContact O-CG2 3.09Å; D622-V626 PolarHBondContact O-N 3.17Å; D622-R723 IonicContact OD1-CZ 2.7Å; D622-R723 VanDerWaalsContact OD1-CZ 3.32Å; D622-R723 IonicContact OD1-NH1 3.09Å; D622-R723 PolarHBondContact OD1-NH1 2.87Å; D622-R723 IonicContact OD1-NH2 3.22Å; D622-R723 PolarHBondContact OD1-NH2 2.96Å; D622-L764 HydrophobicContact CB-CD2 3.89Å
623L93Very high90.1Very high1 Ų145.7 Ų45.71%0.00521%0.209CC..Hα-helixtrans-53-46.7170.6173.863.7000112.9R619 D625 V626 L627 L693 A769 F772 F773 M776 V801R619-L623 WeakPolarHBondContact O-CB 3.47Å; R619-L623 PolarHBondContact O-N 2.87Å; L623-D625 VanDerWaalsContact C-N 3.31Å; L623-D625 PolarHBondContact O-N 3.03Å; L623-V626 PolarHBondContact O-N 3.5Å; L623-L627 HydrophobicContact CD1-CD1 3.82Å; L623-L627 HydrophobicContact CD1-CG 4.04Å; L623-L627 HydrophobicContact CG-CD1 3.97Å; L623-L627 WeakPolarHBondContact O-CB 3.31Å; L623-L627 WeakPolarHBondContact O-CG 3.38Å; L623-L627 PolarHBondContact O-N 3.31Å; L623-L693 HydrophobicContact CD1-CD1 4.41Å; L623-A769 HydrophobicContact CD1-CB 4.17Å; L623-F772 HydrophobicContact CB-CD1 4.37Å; L623-F772 HydrophobicContact CD2-CD1 4.34Å; L623-F773 HydrophobicContact CD1-CB 3.99Å; L623-F773 HydrophobicContact CD2-CB 3.8Å; L623-F773 HydrophobicContact CD2-CD2 3.94Å; L623-F773 HydrophobicContact CD2-CG 4.32Å; L623-M776 HydrophobicContact CD2-CE 4.06Å; L623-M776 HydrophobicContact CD2-SD 4.47Å; L623-V801 HydrophobicContact CD2-CG2 4.28Å; L623-V801 HydrophobicContact CG-CG2 4.27Å
624L93.6Very high90.4Very high11 Ų1148.7 Ų48.76%0.05823%0.228CC..Hα-helixtrans-59.4-41.5178.1170.360.9000112.2V620 R621 D622 R628 V800 V801 L804V620-L624 WeakPolarHBondContact O-CB 3.21Å; V620-L624 PolarHBondContact O-N 2.76Å; R621-L624 PolarHBondContact O-N 3.03Å; D622-L624 VanDerWaalsContact C-N 3.35Å; D622-L624 PolarHBondContact O-N 3.01Å; L624-R628 HydrophobicContact CD1-CG 4.4Å; L624-R628 WeakPolarHBondContact O-CB 3.12Å; L624-R628 WeakPolarHBondContact O-CD 3.4Å; L624-R628 WeakPolarHBondContact O-CG 3.47Å; L624-R628 PolarHBondContact O-N 2.9Å; L624-R628 VanDerWaalsContact O-N 3.11Å; L624-V800 HydrophobicContact CD2-CB 3.93Å; L624-V800 HydrophobicContact CD2-CG2 3.85Å; L624-V801 HydrophobicContact CB-CB 4.19Å; L624-V801 HydrophobicContact CB-CG2 4Å; L624-V801 HydrophobicContact CD1-CG2 4.34Å; L624-L804 HydrophobicContact CD1-CB 4.25Å; L624-L804 HydrophobicContact CD1-CD2 3.83Å
625D90.5Very high90.7Very high7 Ų747.2 Ų47.24%0.03723%0.234CC..Hα-helixtrans-80-29.4-177.2-65.9-35.8000112.3R621 D622 L623 R628 A629 R723 A725R621-D625 PolarHBondContact O-N 2.65Å; D622-D625 PolarHBondContact O-N 3.4Å; D622-D625 VanDerWaalsContact O-N 3.14Å; L623-D625 VanDerWaalsContact C-N 3.31Å; L623-D625 PolarHBondContact O-N 3.03Å; D625-R628 WeakPolarHBondContact O-CB 3.44Å; D625-R628 PolarHBondContact O-N 2.99Å; D625-R628 WeakPolarHBondContact OD1-CD 3.18Å; D625-R628 IonicContact OD1-CZ 3.74Å; D625-R628 IonicContact OD1-NE 3.75Å; D625-R628 IonicContact OD1-NH1 3.83Å; D625-R628 PolarHBondContact OD1-NH1 2.83Å; D625-A629 PolarHBondContact O-N 3.15Å; D625-A629 VanDerWaalsContact O-N 3.08Å; D625-R723 WeakPolarHBondContact OD2-CD 3.23Å; D625-R723 WeakPolarHBondContact OD2-CG 3.35Å; D625-R723 IonicContact OD2-CZ 3.32Å; D625-R723 VanDerWaalsContact OD2-CZ 3.26Å; D625-R723 IonicContact OD2-NE 2.73Å; D625-R723 PolarHBondContact OD2-NE 2.81Å; D625-R723 IonicContact OD2-NH1 3.25Å; D625-R723 PolarHBondContact OD2-NH1 3.44Å; D625-A725 HydrophobicContact CB-CB 3.73Å
626V91.9Very high91Very high0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-63.3-50.3166.7171.20000111.1D622 L623 R628 A629 C630 L693 F701 L764 A769D622-V626 WeakPolarHBondContact O-CG2 3.09Å; D622-V626 PolarHBondContact O-N 3.17Å; L623-V626 PolarHBondContact O-N 3.5Å; V626-R628 PolarHBondContact O-N 3.1Å; V626-A629 WeakPolarHBondContact O-CA 3.37Å; V626-A629 VanDerWaalsContact O-CB 3.26Å; V626-A629 WeakPolarHBondContact O-CB 3.47Å; V626-A629 PolarHBondContact O-N 2.9Å; V626-C630 PolarHBondContact O-N 3.18Å; V626-C630 PolarHBondContact O-SG 3.44Å; V626-L693 HydrophobicContact CG1-CD2 3.9Å; V626-F701 HydrophobicContact CG1-CD2 4.3Å; V626-F701 HydrophobicContact CG1-CE1 4.34Å; V626-F701 HydrophobicContact CG1-CE2 3.94Å; V626-F701 HydrophobicContact CG1-CZ 3.95Å; V626-F701 HydrophobicContact CG2-CB 4.34Å; V626-F701 HydrophobicContact CG2-CD1 4.4Å; V626-F701 HydrophobicContact CG2-CD2 4.07Å; V626-F701 HydrophobicContact CG2-CG 4Å; V626-L764 HydrophobicContact CG2-CD2 3.48Å; V626-L764 VanDerWaalsContact CG2-CD2 3.48Å; V626-L764 HydrophobicContact CG2-CG 4.21Å; V626-A769 HydrophobicContact CB-CB 4.39Å; V626-A769 HydrophobicContact CG1-CB 4.2Å; V626-A769 HydrophobicContact CG2-CB 4.38Å
627L94Very high91.3Very high1 Ų145 Ų451%0.00523%0.23CC..Hα-helixtrans-59.9-30.3176.8-70.4170.5000112.2L623 V631 I689 L693 V801 L804 L805 L808L623-L627 HydrophobicContact CD1-CD1 3.82Å; L623-L627 HydrophobicContact CD1-CG 4.04Å; L623-L627 HydrophobicContact CG-CD1 3.97Å; L623-L627 WeakPolarHBondContact O-CB 3.31Å; L623-L627 WeakPolarHBondContact O-CG 3.38Å; L623-L627 PolarHBondContact O-N 3.31Å; L627-V631 WeakPolarHBondContact O-CB 3.2Å; L627-V631 VanDerWaalsContact O-CG2 3.3Å; L627-V631 WeakPolarHBondContact O-CG2 3.24Å; L627-V631 PolarHBondContact O-N 3.28Å; L627-I689 HydrophobicContact CD2-CG2 4.22Å; L627-L693 HydrophobicContact CD2-CD1 4.39Å; L627-L693 HydrophobicContact CD2-CD2 3.77Å; L627-L693 HydrophobicContact CD2-CG 4.02Å; L627-V801 HydrophobicContact CD1-CG2 4.1Å; L627-L804 HydrophobicContact CB-CD2 3.55Å; L627-L804 HydrophobicContact CB-CG 4.45Å; L627-L805 HydrophobicContact CD1-CD2 3.89Å; L627-L808 HydrophobicContact CD1-CD1 4.47Å; L627-L808 HydrophobicContact CD2-CD1 4.11Å
628R92.8Very high91.5Very high121 Ų12142 Ų4246%0.45722%0.217SC..Hα-helixtrans-74.5-19170.9-74.9164.5167.7172-3.3114.3L624 D625 V626 R632 L804L624-R628 HydrophobicContact CD1-CG 4.4Å; L624-R628 WeakPolarHBondContact O-CB 3.12Å; L624-R628 WeakPolarHBondContact O-CD 3.4Å; L624-R628 WeakPolarHBondContact O-CG 3.47Å; L624-R628 PolarHBondContact O-N 2.9Å; L624-R628 VanDerWaalsContact O-N 3.11Å; D625-R628 WeakPolarHBondContact O-CB 3.44Å; D625-R628 PolarHBondContact O-N 2.99Å; D625-R628 WeakPolarHBondContact OD1-CD 3.18Å; D625-R628 IonicContact OD1-CZ 3.74Å; D625-R628 IonicContact OD1-NE 3.75Å; D625-R628 IonicContact OD1-NH1 3.83Å; D625-R628 PolarHBondContact OD1-NH1 2.83Å; V626-R628 PolarHBondContact O-N 3.1Å; R628-R632 VanDerWaalsContact O-CG 3.26Å; R628-R632 WeakPolarHBondContact O-CG 3.45Å; R628-R632 PolarHBondContact O-NE 2.87Å; R628-L804 HydrophobicContact CG-CD2 4.05Å
629A90.2Very high91.8Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-76.4-52168.500000109.3D625 V626 V631 R632 S633 F701 F727D625-A629 PolarHBondContact O-N 3.15Å; D625-A629 VanDerWaalsContact O-N 3.08Å; V626-A629 WeakPolarHBondContact O-CA 3.37Å; V626-A629 VanDerWaalsContact O-CB 3.26Å; V626-A629 WeakPolarHBondContact O-CB 3.47Å; V626-A629 PolarHBondContact O-N 2.9Å; A629-V631 VanDerWaalsContact C-N 3.33Å; A629-V631 PolarHBondContact O-N 3.35Å; A629-R632 WeakPolarHBondContact O-CB 3.3Å; A629-R632 PolarHBondContact O-N 3.42Å; A629-S633 PolarHBondContact O-N 2.89Å; A629-S633 VanDerWaalsContact O-N 3.11Å; A629-F701 HydrophobicContact CB-CD1 3.97Å; A629-F701 HydrophobicContact CB-CE1 3.6Å; A629-F727 HydrophobicContact CB-CD2 4.35Å; A629-F727 HydrophobicContact CB-CE2 3.77Å; A629-F727 HydrophobicContact CB-CZ 4.21Å
630C92.3Very high92Very high6 Ų640.5 Ų40.54%0.04122%0.218CC..Hα-helixtrans-51-49.1174.9-53.90000112.1V626 R632 S633 T634 L637V626-C630 PolarHBondContact O-N 3.18Å; V626-C630 PolarHBondContact O-SG 3.44Å; C630-R632 VanDerWaalsContact C-N 3.26Å; C630-R632 PolarHBondContact O-N 3.24Å; C630-S633 PolarHBondContact O-N 2.84Å; C630-T634 PolarHBondContact O-N 3.03Å; C630-L637 HydrophobicContact CB-CD1 4.39Å
631V93.1Very high92.2Very high20 Ų2040.9 Ų40.912%0.12122%0.22CC..Hα-helixtrans-66.4-21.5178.21610000114L627 A629 P635 L637 L638 L804 L808L627-V631 WeakPolarHBondContact O-CB 3.2Å; L627-V631 VanDerWaalsContact O-CG2 3.3Å; L627-V631 WeakPolarHBondContact O-CG2 3.24Å; L627-V631 PolarHBondContact O-N 3.28Å; A629-V631 VanDerWaalsContact C-N 3.33Å; A629-V631 PolarHBondContact O-N 3.35Å; V631-P635 WeakPolarHBondContact O-CA 3.38Å; V631-L637 HydrophobicContact CG2-CB 4.46Å; V631-L638 HydrophobicContact CG1-CD1 3.51Å; V631-L638 HydrophobicContact CG1-CD2 4.35Å; V631-L638 HydrophobicContact CG1-CG 3.76Å; V631-L638 HydrophobicContact CG2-CD2 4.19Å; V631-L638 HydrophobicContact CG2-CG 4.15Å; V631-L804 HydrophobicContact CG2-CD1 4.41Å; V631-L808 HydrophobicContact CG2-CD2 3.79Å
632R88.7Confident92.4Very high121 Ų12135.6 Ų35.646%0.45720%0.201SC..Hα-helixtrans-83.5-32.3174.5-79.7-176.4-62141.3-11.8112.8R628 A629 C630 A725 D726R628-R632 VanDerWaalsContact O-CG 3.26Å; R628-R632 WeakPolarHBondContact O-CG 3.45Å; R628-R632 PolarHBondContact O-NE 2.87Å; A629-R632 WeakPolarHBondContact O-CB 3.3Å; A629-R632 PolarHBondContact O-N 3.42Å; C630-R632 VanDerWaalsContact C-N 3.26Å; C630-R632 PolarHBondContact O-N 3.24Å; R632-A725 PolarHBondContact NH2-O 3.49Å; R632-D726 IonicContact CZ-OD1 2.65Å; R632-D726 IonicContact NH1-OD1 2.64Å; R632-D726 PolarHBondContact NH1-OD1 3.44Å; R632-D726 IonicContact NH2-OD1 2.89Å; R632-D726 PolarHBondContact NH2-OD1 2.99Å
633S89.1Confident92.4Very high75 Ų7540.7 Ų40.752%0.52422%0.219SC..Hα-helixtrans-76.9-38.9172.6-570000111.6A629 C630 P635 F727A629-S633 PolarHBondContact O-N 2.89Å; A629-S633 VanDerWaalsContact O-N 3.11Å; C630-S633 PolarHBondContact O-N 2.84Å; S633-P635 WeakPolarHBondContact O-CD 3.27Å; S633-F727 WeakPolarHBondContact OG-CE2 3.49Å
634T92.3Very high92.4Very high66 Ų6641.6 Ų41.641%0.40523%0.229SC..  trans-126.677.5-175.9-46.50000110.9C630 S636 L637C630-T634 PolarHBondContact O-N 3.03Å; T634-S636 PolarHBondContact O-N 2.77Å; T634-L637 HydrophobicContact CG2-CD1 4.3Å; T634-L637 HydrophobicContact CG2-CG 3.94Å; T634-L637 WeakPolarHBondContact O-CB 3.28Å; T634-L637 WeakPolarHBondContact O-CG 3.27Å; T634-L637 PolarHBondContact O-N 2.88Å
635P91.5Very high92.3Very high87 Ų8743.3 Ų43.357%0.56524%0.237SC*.G310 helixtrans-61.4-26-176.1-25.836.1000114.8V631 S633 L637 L638V631-P635 WeakPolarHBondContact O-CA 3.38Å; S633-P635 WeakPolarHBondContact O-CD 3.27Å; P635-L637 PolarHBondContact O-N 3.46Å; P635-L637 VanDerWaalsContact O-N 3.15Å; P635-L638 PolarHBondContact O-N 2.87Å; P635-L638 VanDerWaalsContact O-N 3.11Å
636S91.6Very high92.4Very high75 Ų7546.8 Ų46.852%0.52426%0.259SS..G310 helixtrans-59.8-22.1178.550.10000113.7T634 L638 G639 N815T634-S636 PolarHBondContact O-N 2.77Å; S636-L638 PolarHBondContact O-N 3.06Å; S636-L638 VanDerWaalsContact O-N 3.1Å; S636-G639 PolarHBondContact O-N 3.22Å; S636-N815 PolarHBondContact O-ND2 3.46Å
637L94.3Very high92.5Very high44 Ų4448.6 Ų48.623%0.2327%0.269CS..G310 helixtrans-56.3-24.6173.1-67.8173.4000113.4C630 V631 T634 P635 A692 L808C630-L637 HydrophobicContact CB-CD1 4.39Å; V631-L637 HydrophobicContact CG2-CB 4.46Å; T634-L637 HydrophobicContact CG2-CD1 4.3Å; T634-L637 HydrophobicContact CG2-CG 3.94Å; T634-L637 WeakPolarHBondContact O-CB 3.28Å; T634-L637 WeakPolarHBondContact O-CG 3.27Å; T634-L637 PolarHBondContact O-N 2.88Å; P635-L637 PolarHBondContact O-N 3.46Å; P635-L637 VanDerWaalsContact O-N 3.15Å; L637-A692 HydrophobicContact CD1-CB 4.3Å; L637-A692 HydrophobicContact CD2-CB 4.27Å; L637-L808 HydrophobicContact CB-CD2 3.77Å
638L93.7Very high92.6Very high13 Ų1348.8 Ų48.87%0.06827%0.27CS..G310 helixtrans-87-7.4177.8-73.1-175.1000114.6V631 P635 S636 S640 T641 W643 L804 C807 L808 R830V631-L638 HydrophobicContact CG1-CD1 3.51Å; V631-L638 HydrophobicContact CG1-CD2 4.35Å; V631-L638 HydrophobicContact CG1-CG 3.76Å; V631-L638 HydrophobicContact CG2-CD2 4.19Å; V631-L638 HydrophobicContact CG2-CG 4.15Å; P635-L638 PolarHBondContact O-N 2.87Å; P635-L638 VanDerWaalsContact O-N 3.11Å; S636-L638 PolarHBondContact O-N 3.06Å; S636-L638 VanDerWaalsContact O-N 3.1Å; L638-S640 PolarHBondContact O-N 2.94Å; L638-T641 WeakPolarHBondContact O-CB 3.42Å; L638-T641 PolarHBondContact O-N 2.88Å; L638-T641 PolarHBondContact O-OG1 2.84Å; L638-W643 HydrophobicContact CD1-CZ2 3.77Å; L638-W643 HydrophobicContact CD2-CZ2 3.95Å; L638-L804 HydrophobicContact CD2-CD1 3.91Å; L638-C807 HydrophobicContact CD2-CB 4.05Å; L638-L808 HydrophobicContact CD2-CD2 4.15Å; L638-L808 HydrophobicContact CD2-CG 4.41Å; L638-R830 PolarHBondContact O-NH2 3.33Å
639G92.6Very high92.7Very high27 Ų2744.3 Ų44.328%0.27825%0.254SS..THydrogen-bonded Turntrans52.3-129.4-169.400000111.5S636 T641 E814S636-G639 PolarHBondContact O-N 3.22Å; G639-T641 VanDerWaalsContact C-N 3.29Å; G639-T641 PolarHBondContact O-N 3.49Å; G639-E814 WeakPolarHBondContact CA-OE2 3.49Å
640S93.8Very high92.8Very high28 Ų2850.4 Ų50.420%0.19628%0.28CS..THydrogen-bonded Turntrans-86.122.3-179.1-64.70000114.8L638 V642 E814 L828 R830L638-S640 PolarHBondContact O-N 2.94Å; S640-V642 PolarHBondContact O-N 2.91Å; S640-E814 PolarHBondContact N-OE2 3.17Å; S640-L828 WeakPolarHBondContact CB-O 3.4Å; S640-L828 WeakPolarHBondContact OG-CB 3.42Å; S640-L828 PolarHBondContact OG-O 3.24Å; S640-R830 PolarHBondContact O-N 2.91Å
641T95.8Very high92.8Very high17 Ų1752 Ų5210%0.10429%0.29CS..BIsolated β-bridgetrans-65.3126.1-179.6-54.30000112.4L638 G639 W643 C807 R830L638-T641 WeakPolarHBondContact O-CB 3.42Å; L638-T641 PolarHBondContact O-N 2.88Å; L638-T641 PolarHBondContact O-OG1 2.84Å; G639-T641 VanDerWaalsContact C-N 3.29Å; G639-T641 PolarHBondContact O-N 3.49Å; T641-W643 HydrophobicContact CG2-CD2 4.37Å; T641-W643 HydrophobicContact CG2-CZ2 4.14Å; T641-C807 HydrophobicContact CG2-CB 4.05Å; T641-R830 CarbonylContact C-O 3.54Å; T641-R830 WeakPolarHBondContact CA-O 3.3Å; T641-R830 PolarHBondContact OG1-NH1 3.38Å; T641-R830 PolarHBondContact OG1-NH2 3.36Å; T641-R830 VanDerWaalsContact OG1-NH2 3.07Å
642V95.4Very high92.8Very high8 Ų851 Ų515%0.04828%0.284CS..  trans-108.7134.5165.6-69.40000110.3S640 D647 I648 V651 M829 R830 L831 W895S640-V642 PolarHBondContact O-N 2.91Å; V642-D647 HydrophobicContact CB-CB 3.92Å; V642-D647 HydrophobicContact CG1-CB 3.96Å; V642-I648 HydrophobicContact CB-CG1 4.06Å; V642-I648 HydrophobicContact CG1-CG1 4.39Å; V642-I648 HydrophobicContact CG2-CD1 4.32Å; V642-I648 HydrophobicContact CG2-CG1 3.75Å; V642-V651 HydrophobicContact CG1-CG2 4.42Å; V642-M829 HydrophobicContact CG1-CB 4.49Å; V642-M829 HydrophobicContact CG1-CG 4.23Å; V642-M829 HydrophobicContact CG2-CB 4.37Å; V642-R830 WeakPolarHBondContact CG2-O 3.43Å; V642-R830 PolarHBondContact N-O 2.86Å; V642-L831 HydrophobicContact CG2-CB 4.45Å; V642-L831 WeakPolarHBondContact O-CD1 3.1Å; V642-W895 HydrophobicContact CG2-CH2 3.87Å
643W91.1Very high92.9Very high126 Ų12647.2 Ų47.248%0.47728%0.276SS..  trans-89.9-6.9-177.9-63.396.3000113.7L638 T641 D647 L804 C807L638-W643 HydrophobicContact CD1-CZ2 3.77Å; L638-W643 HydrophobicContact CD2-CZ2 3.95Å; T641-W643 HydrophobicContact CG2-CD2 4.37Å; T641-W643 HydrophobicContact CG2-CZ2 4.14Å; W643-D647 WeakPolarHBondContact CB-OD2 3.39Å; W643-D647 PolarHBondContact N-OD2 2.87Å; W643-L804 HydrophobicContact CH2-CD1 3.81Å; W643-L804 HydrophobicContact CZ2-CD1 3.91Å; W643-C807 HydrophobicContact CH2-CB 4.28Å
644G92.1Very high92.9Very high21 Ų2147.7 Ų47.722%0.21628%0.279CS..SBendtrans160.6-163.7173.500000113.7T646 D647 I648G644-T646 PolarHBondContact O-N 2.95Å; G644-D647 PolarHBondContact O-N 3.18Å; G644-I648 WeakPolarHBondContact O-CG1 3.4Å; G644-I648 PolarHBondContact O-N 3.21Å; G644-I648 VanDerWaalsContact O-N 3.09Å
645M92.4Very high92.8Very high46 Ų4646.4 Ų46.423%0.22727%0.27CS..Hα-helixtrans-54.3-28.8-172.1-69.1173.8170.600114.7H649 L898 K909 H948 L950 F951M645-H649 VanDerWaalsContact O-CB 3.23Å; M645-H649 WeakPolarHBondContact O-CB 3.28Å; M645-H649 PolarHBondContact O-N 3.43Å; M645-L898 HydrophobicContact CE-CD2 4.18Å; M645-K909 HydrophobicContact CE-CD 4.1Å; M645-H948 PolarHBondContact O-CE1 3Å; M645-H948 VanDerWaalsContact O-CE1 3.22Å; M645-L950 HydrophobicContact CB-CD2 3.94Å; M645-L950 HydrophobicContact CG-CD2 3.99Å; M645-F951 HydrophobicContact CE-CE2 4.13Å; M645-F951 HydrophobicContact CE-CZ 3.98Å; M645-F951 HydrophobicContact SD-CE2 3.99Å; M645-F951 HydrophobicContact SD-CZ 4.32Å
646T92.7Very high92.8Very high81 Ų8142.2 Ų42.250%0.49724%0.243SC..Hα-helixtrans-76.2-31179.5-44.40000112.6G644 K650 H948G644-T646 PolarHBondContact O-N 2.95Å; T646-K650 WeakPolarHBondContact O-CG 3.16Å; T646-K650 PolarHBondContact O-N 3.47Å; T646-H948 PolarHBondContact OG1-NE2 2.84Å
647D93.4Very high92.7Very high38 Ų3841.5 Ų41.520%0.20324%0.236CC..Hα-helixtrans-83-39.8176.5-58.6-39.5000110.9V642 W643 G644 H649 K650 V651V642-D647 HydrophobicContact CB-CB 3.92Å; V642-D647 HydrophobicContact CG1-CB 3.96Å; W643-D647 WeakPolarHBondContact CB-OD2 3.39Å; W643-D647 PolarHBondContact N-OD2 2.87Å; G644-D647 PolarHBondContact O-N 3.18Å; D647-H649 PolarHBondContact O-N 3.1Å; D647-K650 WeakPolarHBondContact O-CB 3.35Å; D647-K650 PolarHBondContact O-N 2.78Å; D647-K650 VanDerWaalsContact O-N 3.08Å; D647-K650 IonicContact OD1-NZ 2.79Å; D647-K650 PolarHBondContact OD1-NZ 3.38Å; D647-V651 PolarHBondContact O-N 3.06Å; D647-V651 VanDerWaalsContact O-N 3.14Å
648I95.3Very high92.4Very high4 Ų442.6 Ų42.62%0.02125%0.252CS..Hα-helixtrans-55.2-42.5169.2-62.6165.8000110.4V642 G644 K650 V651 L652 M829 W895 L898 L950V642-I648 HydrophobicContact CB-CG1 4.06Å; V642-I648 HydrophobicContact CG1-CG1 4.39Å; V642-I648 HydrophobicContact CG2-CD1 4.32Å; V642-I648 HydrophobicContact CG2-CG1 3.75Å; G644-I648 WeakPolarHBondContact O-CG1 3.4Å; G644-I648 PolarHBondContact O-N 3.21Å; G644-I648 VanDerWaalsContact O-N 3.09Å; I648-K650 PolarHBondContact O-N 2.94Å; I648-V651 PolarHBondContact O-N 3.5Å; I648-L652 HydrophobicContact CG2-CD1 3.75Å; I648-L652 HydrophobicContact CG2-CG 4.35Å; I648-L652 WeakPolarHBondContact O-CB 3.45Å; I648-L652 WeakPolarHBondContact O-CG 3.48Å; I648-L652 PolarHBondContact O-N 3.13Å; I648-M829 HydrophobicContact CG1-SD 4.47Å; I648-M829 HydrophobicContact CG2-SD 4.22Å; I648-W895 HydrophobicContact CD1-CH2 4.26Å; I648-W895 HydrophobicContact CD1-CZ3 3.73Å; I648-W895 HydrophobicContact CG1-CH2 4.4Å; I648-W895 HydrophobicContact CG1-CZ3 4Å; I648-L898 HydrophobicContact CD1-CD1 4.14Å; I648-L898 HydrophobicContact CG2-CD1 3.93Å; I648-L950 HydrophobicContact CG2-CD1 4.2Å; I648-L950 HydrophobicContact CG2-CD2 4.48Å
649H94.6Very high92.3Very high27 Ų2742.3 Ų42.313%0.12525%0.25CC..Hα-helixtrans-62.9-39.1176.3-178.2-137.2000112.6M645 D647 S653 L950 D953 T956M645-H649 VanDerWaalsContact O-CB 3.23Å; M645-H649 WeakPolarHBondContact O-CB 3.28Å; M645-H649 PolarHBondContact O-N 3.43Å; D647-H649 PolarHBondContact O-N 3.1Å; H649-S653 PolarHBondContact CD2-OG 3Å; H649-S653 VanDerWaalsContact CD2-OG 3.3Å; H649-S653 PolarHBondContact NE2-OG 2.85Å; H649-S653 VanDerWaalsContact NE2-OG 3.13Å; H649-S653 VanDerWaalsContact O-CB 3.24Å; H649-S653 WeakPolarHBondContact O-CB 3.34Å; H649-S653 PolarHBondContact O-N 3.19Å; H649-S653 PolarHBondContact O-OG 2.91Å; H649-L950 HydrophobicContact CB-CB 4.08Å; H649-L950 HydrophobicContact CB-CD1 3.9Å; H649-D953 IonicContact CE1-OD2 2.82Å; H649-D953 IonicContact NE2-OD2 3.48Å; H649-D953 PolarHBondContact NE2-OD2 3.19Å; H649-T956 PolarHBondContact CD2-OG1 2.75Å; H649-T956 PolarHBondContact NE2-OG1 3.23Å; H649-T956 VanDerWaalsContact NE2-OG1 3.12Å
650K92.8Very high92.1Very high128 Ų12844.4 Ų44.456%0.55725%0.251SS*.Hα-helixtrans-60.3-51.3175.2-64.9164-165.8164.50111.2T646 D647 I648 L652 S653 S654T646-K650 WeakPolarHBondContact O-CG 3.16Å; T646-K650 PolarHBondContact O-N 3.47Å; D647-K650 WeakPolarHBondContact O-CB 3.35Å; D647-K650 PolarHBondContact O-N 2.78Å; D647-K650 VanDerWaalsContact O-N 3.08Å; D647-K650 IonicContact OD1-NZ 2.79Å; D647-K650 PolarHBondContact OD1-NZ 3.38Å; I648-K650 PolarHBondContact O-N 2.94Å; K650-L652 PolarHBondContact O-N 2.9Å; K650-S653 WeakPolarHBondContact O-CB 3.47Å; K650-S653 PolarHBondContact O-N 2.92Å; K650-S654 PolarHBondContact O-N 3.37Å; K650-S654 PolarHBondContact O-OG 3.45Å
651V93.1Very high91.9Very high39 Ų3948.6 Ų48.624%0.23627%0.272CS..Hα-helixtrans-61.6-44.6-177.5178.40000111.1V642 D647 I648 S654 L655 C827 M829V642-V651 HydrophobicContact CG1-CG2 4.42Å; D647-V651 PolarHBondContact O-N 3.06Å; D647-V651 VanDerWaalsContact O-N 3.14Å; I648-V651 PolarHBondContact O-N 3.5Å; V651-S654 PolarHBondContact O-N 2.89Å; V651-S654 PolarHBondContact O-OG 3.17Å; V651-L655 WeakPolarHBondContact O-CD1 3.31Å; V651-C827 HydrophobicContact CG1-CB 3.84Å; V651-M829 HydrophobicContact CB-CG 4.37Å; V651-M829 HydrophobicContact CB-SD 3.94Å; V651-M829 HydrophobicContact CG1-CE 4.44Å; V651-M829 HydrophobicContact CG1-CG 3.93Å; V651-M829 HydrophobicContact CG1-SD 3.83Å; V651-M829 HydrophobicContact CG2-CG 4.42Å; V651-M829 HydrophobicContact CG2-SD 4.43Å
652L93.1Very high91.6Very high0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-72.2-31.3178-64176.4000112.6I648 K650 S654 L655 A656 M829 I838 L900 V907 L950 T956I648-L652 HydrophobicContact CG2-CD1 3.75Å; I648-L652 HydrophobicContact CG2-CG 4.35Å; I648-L652 WeakPolarHBondContact O-CB 3.45Å; I648-L652 WeakPolarHBondContact O-CG 3.48Å; I648-L652 PolarHBondContact O-N 3.13Å; K650-L652 PolarHBondContact O-N 2.9Å; L652-S654 PolarHBondContact O-N 3.25Å; L652-L655 PolarHBondContact O-N 2.97Å; L652-L655 VanDerWaalsContact O-N 3.14Å; L652-A656 VanDerWaalsContact O-CB 3.29Å; L652-A656 WeakPolarHBondContact O-CB 3.3Å; L652-A656 PolarHBondContact O-N 3.23Å; L652-M829 HydrophobicContact CD2-CE 3.99Å; L652-M829 HydrophobicContact CG-CE 4.39Å; L652-I838 HydrophobicContact CD2-CD1 4.21Å; L652-L900 HydrophobicContact CD1-CD2 3.9Å; L652-L900 HydrophobicContact CD2-CD2 4.1Å; L652-V907 HydrophobicContact CD1-CG2 3.61Å; L652-L950 HydrophobicContact CD1-CD1 4.24Å; L652-T956 HydrophobicContact CB-CG2 4.33Å
653S90.8Very high91.3Very high41 Ų4160.1 Ų60.129%0.28732%0.322SS..Hα-helixtrans-61.6-29.1174.2-62.80000112.9H649 K650 P657 T956H649-S653 PolarHBondContact CD2-OG 3Å; H649-S653 VanDerWaalsContact CD2-OG 3.3Å; H649-S653 PolarHBondContact NE2-OG 2.85Å; H649-S653 VanDerWaalsContact NE2-OG 3.13Å; H649-S653 VanDerWaalsContact O-CB 3.24Å; H649-S653 WeakPolarHBondContact O-CB 3.34Å; H649-S653 PolarHBondContact O-N 3.19Å; H649-S653 PolarHBondContact O-OG 2.91Å; K650-S653 WeakPolarHBondContact O-CB 3.47Å; K650-S653 PolarHBondContact O-N 2.92Å; S653-P657 WeakPolarHBondContact O-CD 3.24Å; S653-P657 WeakPolarHBondContact O-CG 3.03Å; S653-T956 PolarHBondContact OG-OG1 3.39Å
654S89.4Confident91.3Very high86 Ų8657.5 Ų57.560%0.60132%0.315SS*.Hα-helixtrans-78.7-22.8175.530.10000114.4K650 V651 L652K650-S654 PolarHBondContact O-N 3.37Å; K650-S654 PolarHBondContact O-OG 3.45Å; V651-S654 PolarHBondContact O-N 2.89Å; V651-S654 PolarHBondContact O-OG 3.17Å; L652-S654 PolarHBondContact O-N 3.25Å
655L88.9Confident91.2Very high38 Ų3860.6 Ų60.620%0.19933%0.332CS..Hα-helixtrans-103.9-42.9-176.8-85.474.5000113.1V651 L652 P657 A658 Q659 C827 L905V651-L655 WeakPolarHBondContact O-CD1 3.31Å; L652-L655 PolarHBondContact O-N 2.97Å; L652-L655 VanDerWaalsContact O-N 3.14Å; L655-P657 VanDerWaalsContact C-CD 3.5Å; L655-A658 PolarHBondContact O-N 3.33Å; L655-Q659 PolarHBondContact O-N 3Å; L655-Q659 VanDerWaalsContact O-N 3.09Å; L655-C827 HydrophobicContact CD1-CB 4.21Å; L655-C827 HydrophobicContact CD2-CB 3.86Å; L655-L905 HydrophobicContact CB-CD1 4.08Å
656A91.3Very high91.3Very high0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-58.1-37.9-172.500000114.8L652 K660 L905 T956L652-A656 VanDerWaalsContact O-CB 3.29Å; L652-A656 WeakPolarHBondContact O-CB 3.3Å; L652-A656 PolarHBondContact O-N 3.23Å; A656-K660 WeakPolarHBondContact O-CB 3.45Å; A656-K660 VanDerWaalsContact O-CG 3.25Å; A656-K660 WeakPolarHBondContact O-CG 3.42Å; A656-K660 PolarHBondContact O-N 3.25Å; A656-K660 VanDerWaalsContact O-N 3.14Å; A656-L905 HydrophobicContact CB-CB 4Å; A656-L905 HydrophobicContact CB-CD1 4.49Å; A656-T956 HydrophobicContact CB-CG2 4.26Å
657P89.6Confident91.5Very high60 Ų6057.5 Ų57.539%0.3931%0.31SS..Hα-helixtrans-63.7-42.7176.4-23.535.1000113S653 L655 K660 D661S653-P657 WeakPolarHBondContact O-CD 3.24Å; S653-P657 WeakPolarHBondContact O-CG 3.03Å; L655-P657 VanDerWaalsContact C-CD 3.5Å; P657-K660 PolarHBondContact O-N 2.74Å; P657-D661 PolarHBondContact O-N 3.38Å
658A88.9Confident91.6Very high67 Ų6755.7 Ų55.755%0.55430%0.3SS*.Hα-helixtrans-69.4-39.8-179.500000111.9L655 K660 D661 R662L655-A658 PolarHBondContact O-N 3.33Å; A658-K660 PolarHBondContact O-N 3.41Å; A658-D661 PolarHBondContact O-N 3.07Å; A658-R662 PolarHBondContact O-N 3.28Å
659Q90.6Very high91.7Very high7 Ų755.5 Ų55.53%0.03330%0.299CS..Hα-helixtrans-62.8-26.8173.6-178.564.721.300112.7L655 R662 P663 Q664 L666 H903 L905L655-Q659 PolarHBondContact O-N 3Å; L655-Q659 VanDerWaalsContact O-N 3.09Å; Q659-R662 CarbonylContact O-C 3.59Å; Q659-P663 VanDerWaalsContact O-CA 3.26Å; Q659-P663 WeakPolarHBondContact O-CA 3.3Å; Q659-Q664 PolarHBondContact NE2-O 2.97Å; Q659-L666 HydrophobicContact CG-CD1 4Å; Q659-H903 WeakPolarHBondContact CG-O 3.4Å; Q659-H903 PolarHBondContact NE2-O 3.18Å; Q659-L905 HydrophobicContact CB-CD1 3.93Å; Q659-L905 HydrophobicContact CG-CD1 4.03Å; Q659-L905 HydrophobicContact CG-CG 4.13Å
660K89.4Confident91.8Very high71 Ų7155.6 Ų55.631%0.30930%0.299SS..Hα-helixtrans-87.7-32.5179-73.5174.2-178.1-175.20113.6A656 P657 A658 S904 D906 T956A656-K660 WeakPolarHBondContact O-CB 3.45Å; A656-K660 VanDerWaalsContact O-CG 3.25Å; A656-K660 WeakPolarHBondContact O-CG 3.42Å; A656-K660 PolarHBondContact O-N 3.25Å; A656-K660 VanDerWaalsContact O-N 3.14Å; P657-K660 PolarHBondContact O-N 2.74Å; A658-K660 PolarHBondContact O-N 3.41Å; K660-S904 WeakPolarHBondContact CE-O 3.26Å; K660-D906 IonicContact NZ-OD1 3.55Å; K660-D906 PolarHBondContact NZ-OD1 3.45Å; K660-T956 PolarHBondContact NZ-O 2.74Å
661D89.3Confident91.9Very high116 Ų11649.5 Ų49.562%0.6227%0.272SS*.Hα-helixtrans-64.7-43.4168.4-173.371.5000110.6P657 A658P657-D661 PolarHBondContact O-N 3.38Å; A658-D661 PolarHBondContact O-N 3.07Å
662R89.1Confident92Very high188 Ų18848.4 Ų48.471%0.70927%0.265SS*.SBendtrans-136.287.2-177.2-63.2175.2-160.5-141.9-4.4110.8A658 Q659 Q664A658-R662 PolarHBondContact O-N 3.28Å; Q659-R662 CarbonylContact O-C 3.59Å; R662-Q664 PolarHBondContact O-N 3.37Å
663P89.2Confident92Very high78 Ų7848.5 Ų48.551%0.50627%0.266SS..  trans-58.4126.3174.2-24.735.2000111.8Q659Q659-P663 VanDerWaalsContact O-CA 3.26Å; Q659-P663 WeakPolarHBondContact O-CA 3.3Å
664Q90.8Very high91.9Very high71 Ų7148.9 Ų48.933%0.33227%0.269SS..  trans-134.5153176.453.91768.800108.9Q659 R662 L666Q659-Q664 PolarHBondContact NE2-O 2.97Å; R662-Q664 PolarHBondContact O-N 3.37Å; Q664-L666 HydrophobicContact CG-CD2 4.46Å; Q664-L666 PolarHBondContact O-N 3.01Å
665P91.6Very high91.7Very high87 Ų8746.3 Ų46.357%0.56526%0.256SS*.  trans-56.7134.8173.4-24.635000111.4Y667P665-Y667 HydrophobicContact CB-CE2 4.43Å
666L94.3Very high91.8Very high12 Ų1244.6 Ų44.66%0.06325%0.247CC..  trans-122.2130.6176.1-67.5-179000110.8Q659 Q664 F668 I838 P840 N871 L905Q659-L666 HydrophobicContact CG-CD1 4Å; Q664-L666 HydrophobicContact CG-CD2 4.46Å; Q664-L666 PolarHBondContact O-N 3.01Å; L666-F668 HydrophobicContact CB-CD2 4.23Å; L666-F668 HydrophobicContact CB-CE2 3.79Å; L666-F668 HydrophobicContact CD1-CE2 4.35Å; L666-I838 HydrophobicContact CB-CG2 4.36Å; L666-I838 HydrophobicContact CD1-CG2 4.05Å; L666-I838 HydrophobicContact CD2-CG2 4.5Å; L666-P840 HydrophobicContact CD2-CB 4.33Å; L666-N871 PolarHBondContact O-ND2 3.12Å; L666-L905 HydrophobicContact CD1-CD1 4.03Å; L666-L905 HydrophobicContact CD1-CD2 3.88Å; L666-L905 HydrophobicContact CD1-CG 3.97Å
667Y95.2Very high91.9Very high49 Ų4946.6 Ų46.619%0.19226%0.255CS..EExtended strand (participates in β ladder)trans-99.5118.9179-57.2-72.6000109.6P665 I838 T839 P840 Q842 F872P665-Y667 HydrophobicContact CB-CE2 4.43Å; Y667-I838 WeakPolarHBondContact O-CA 3.37Å; Y667-T839 WeakPolarHBondContact CB-O 3.15Å; Y667-T839 WeakPolarHBondContact CD2-O 3.41Å; Y667-T839 PolarHBondContact N-O 3.39Å; Y667-T839 PolarHBondContact O-N 2.88Å; Y667-P840 WeakPolarHBondContact CD2-O 3.32Å; Y667-P840 VanDerWaalsContact CE2-O 3.32Å; Y667-P840 WeakPolarHBondContact CE2-O 3.4Å; Y667-Q842 HydrophobicContact CD1-CB 4.07Å; Y667-Q842 HydrophobicContact CD1-CG 3.93Å; Y667-Q842 HydrophobicContact CD2-CB 3.84Å; Y667-Q842 HydrophobicContact CE1-CB 3.93Å; Y667-Q842 HydrophobicContact CE1-CG 3.85Å; Y667-Q842 HydrophobicContact CE2-CB 3.7Å; Y667-Q842 HydrophobicContact CG-CB 4.03Å; Y667-Q842 HydrophobicContact CG-CG 4.3Å; Y667-F872 HydrophobicContact CD1-CB 3.62Å; Y667-F872 AromaticContact CD1-CD1 3.73Å; Y667-F872 HydrophobicContact CD1-CD1 3.73Å; Y667-F872 AromaticContact CD1-CG 3.73Å; Y667-F872 HydrophobicContact CD1-CG 3.73Å; Y667-F872 HydrophobicContact CE1-CB 3.97Å; Y667-F872 HydrophobicContact CE1-CG 4.47Å; Y667-F872 HydrophobicContact CG-CD1 4.28Å
668F97Very high91.9Very high0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans-105.5132.4-178.1-78.9-118.8000109.7L666 L836 L837 I838 V870 N871 F872 F893 L900 T902 L905L666-F668 HydrophobicContact CB-CD2 4.23Å; L666-F668 HydrophobicContact CB-CE2 3.79Å; L666-F668 HydrophobicContact CD1-CE2 4.35Å; F668-L836 HydrophobicContact CD1-CD1 4.04Å; F668-L837 WeakPolarHBondContact CA-O 3.41Å; F668-I838 HydrophobicContact CD1-CD1 4.31Å; F668-I838 HydrophobicContact CD1-CG1 3.93Å; F668-I838 HydrophobicContact CD2-CG2 4.22Å; F668-I838 HydrophobicContact CE1-CD1 3.64Å; F668-I838 HydrophobicContact CE1-CG1 3.74Å; F668-I838 HydrophobicContact CE1-CG2 4.43Å; F668-I838 HydrophobicContact CE2-CG2 3.76Å; F668-I838 HydrophobicContact CG-CG1 4.4Å; F668-I838 HydrophobicContact CZ-CD1 3.89Å; F668-I838 HydrophobicContact CZ-CG1 4.05Å; F668-I838 HydrophobicContact CZ-CG2 3.88Å; F668-V870 WeakPolarHBondContact O-CA 3.42Å; F668-N871 PolarHBondContact N-OD1 2.98Å; F668-F872 WeakPolarHBondContact O-CE1 3.36Å; F668-F893 HydrophobicContact CB-CD1 4.25Å; F668-F893 HydrophobicContact CB-CD2 3.7Å; F668-F893 HydrophobicContact CB-CE1 4.1Å; F668-F893 HydrophobicContact CB-CE2 3.54Å; F668-F893 HydrophobicContact CB-CG 4.06Å; F668-F893 HydrophobicContact CB-CZ 3.75Å; F668-F893 HydrophobicContact CD1-CB 3.98Å; F668-F893 AromaticContact CD1-CD1 3.63Å; F668-F893 HydrophobicContact CD1-CD1 3.63Å; F668-F893 HydrophobicContact CD1-CD2 4.18Å; F668-F893 HydrophobicContact CD1-CE1 4.12Å; F668-F893 AromaticContact CD1-CG 3.66Å; F668-F893 HydrophobicContact CD1-CG 3.66Å; F668-F893 HydrophobicContact CE1-CB 4.3Å; F668-F893 HydrophobicContact CE1-CD1 4.45Å; F668-F893 HydrophobicContact CE1-CG 4.43Å; F668-F893 HydrophobicContact CG-CD1 4.36Å; F668-F893 HydrophobicContact CG-CD2 4.18Å; F668-F893 HydrophobicContact CG-CE2 4.46Å; F668-F893 HydrophobicContact CG-CG 4.12Å; F668-L900 HydrophobicContact CE1-CB 4.03Å; F668-L900 HydrophobicContact CE1-CD2 4.31Å; F668-T902 HydrophobicContact CD1-CG2 4.29Å; F668-T902 HydrophobicContact CD2-CG2 3.69Å; F668-T902 HydrophobicContact CE1-CG2 4.32Å; F668-T902 HydrophobicContact CE2-CG2 3.72Å; F668-T902 HydrophobicContact CG-CG2 3.99Å; F668-T902 HydrophobicContact CZ-CG2 4.05Å; F668-L905 HydrophobicContact CE2-CD2 4.43Å; F668-L905 HydrophobicContact CZ-CD2 3.7Å
669V96.8Very high91.9Very high0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-129.3118.4170.7-172.20000109.4V671 L836 L837 A845 F848 L849 V870 F872V669-V671 HydrophobicContact CG1-CG2 4.12Å; V669-L836 WeakPolarHBondContact O-CA 3.49Å; V669-L837 HydrophobicContact CB-CB 4.3Å; V669-L837 PolarHBondContact N-O 2.85Å; V669-L837 PolarHBondContact O-N 3.24Å; V669-A845 HydrophobicContact CG2-CB 3.89Å; V669-F848 HydrophobicContact CB-CD1 4.02Å; V669-F848 HydrophobicContact CB-CE1 4.17Å; V669-F848 HydrophobicContact CG1-CD1 3.95Å; V669-F848 HydrophobicContact CG1-CE1 4.06Å; V669-F848 HydrophobicContact CG2-CD1 4.45Å; V669-L849 HydrophobicContact CG1-CB 3.96Å; V669-L849 HydrophobicContact CG1-CD1 3.91Å; V669-L849 HydrophobicContact CG1-CG 4.33Å; V669-V870 HydrophobicContact CG1-CG1 4.25Å; V669-V870 HydrophobicContact CG2-CG1 4.25Å; V669-F872 HydrophobicContact CG2-CE1 3.77Å; V669-F872 HydrophobicContact CG2-CZ 3.85Å
670K96.9Very high92.1Very high29 Ų2942 Ų4213%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-102.5136.9168.1165173.2-179-78.90110.3D834 F835 K867 V868 A869 F893 P894K670-D834 WeakPolarHBondContact CE-OD1 3.36Å; K670-F835 WeakPolarHBondContact CA-O 3.46Å; K670-K867 PolarHBondContact NZ-O 3.42Å; K670-V868 VanDerWaalsContact O-CA 3.32Å; K670-V868 WeakPolarHBondContact O-CA 3.4Å; K670-V868 WeakPolarHBondContact O-CG1 3.45Å; K670-A869 HydrophobicContact CB-CB 4.36Å; K670-A869 PolarHBondContact N-O 3.24Å; K670-A869 PolarHBondContact O-N 2.63Å; K670-F893 HydrophobicContact CB-CE1 3.73Å; K670-F893 HydrophobicContact CB-CZ 3.8Å; K670-P894 VanDerWaalsContact CD-O 3.23Å; K670-P894 WeakPolarHBondContact CD-O 3.23Å
671V95.5Very high92.3Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-133.2138.9173.4176.20000109.5V669 F835 L849 L852 V863V669-V671 HydrophobicContact CG1-CG2 4.12Å; V671-F835 HydrophobicContact CB-CB 4.23Å; V671-F835 PolarHBondContact N-O 3.07Å; V671-F835 VanDerWaalsContact N-O 3.14Å; V671-F835 PolarHBondContact O-N 2.86Å; V671-L849 HydrophobicContact CG2-CD1 4.18Å; V671-L852 HydrophobicContact CB-CD1 4.17Å; V671-L852 HydrophobicContact CG1-CB 4.43Å; V671-L852 HydrophobicContact CG1-CD1 4.16Å; V671-L852 HydrophobicContact CG2-CB 4.48Å; V671-L852 HydrophobicContact CG2-CD1 3.96Å; V671-V863 HydrophobicContact CG1-CB 4.19Å; V671-V863 HydrophobicContact CG1-CG1 3.79Å; V671-V863 HydrophobicContact CG1-CG2 3.37Å
672D94.5Very high92.5Very high16 Ų1635.9 Ų35.99%0.08619%0.189CC..EExtended strand (participates in β ladder)trans-119.1129.7174.5172.2-67.8000108.4N864 K867D672-N864 PolarHBondContact O-N 2.78Å; D672-K867 HydrophobicContact CB-CB 3.82Å; D672-K867 HydrophobicContact CB-CD 3.67Å; D672-K867 VanDerWaalsContact OD1-CD 3.26Å; D672-K867 WeakPolarHBondContact OD1-CD 3.39Å; D672-K867 IonicContact OD1-NZ 3.03Å; D672-K867 PolarHBondContact OD1-NZ 3.37Å; D672-K867 WeakPolarHBondContact OD2-CD 3.26Å; D672-K867 IonicContact OD2-NZ 2.83Å; D672-K867 PolarHBondContact OD2-NZ 2.86Å
673V92.4Very high92.8Very high2 Ų229.4 Ų29.41%0.01218%0.181CC..BIsolated β-bridgetrans-91.8121.9-174.9-179.80000112.1G675 A676 Y810 D833 F835 L861 M862V673-G675 PolarHBondContact O-N 2.56Å; V673-A676 HydrophobicContact CB-CB 4.18Å; V673-A676 HydrophobicContact CG1-CB 3.86Å; V673-Y810 HydrophobicContact CG1-CE2 4.38Å; V673-D833 HydrophobicContact CB-CB 4.36Å; V673-D833 PolarHBondContact N-O 3Å; V673-F835 HydrophobicContact CG2-CD2 4.06Å; V673-F835 HydrophobicContact CG2-CE2 3.68Å; V673-L861 HydrophobicContact CG1-CG 4.02Å; V673-L861 HydrophobicContact CG2-CD1 3.96Å; V673-L861 HydrophobicContact CG2-CD2 4.29Å; V673-L861 HydrophobicContact CG2-CG 3.85Å; V673-M862 CarbonylContact C-O 3.49Å
674S88.8Confident93Very high49 Ų4927.1 Ų27.134%0.34316%0.163SC..THydrogen-bonded Turntrans-6692.7179.5-72.50000112.9M862 V863 N864S674-M862 WeakPolarHBondContact CB-O 3.4Å; S674-M862 PolarHBondContact N-O 3.22Å; S674-V863 PolarHBondContact OG-O 2.76Å; S674-V863 VanDerWaalsContact OG-O 3.13Å; S674-N864 WeakPolarHBondContact OG-CB 3.34Å; S674-N864 PolarHBondContact OG-N 3.27Å
675G86.6Confident93.3Very high32 Ų3223.7 Ų23.733%0.3315%0.147SC..THydrogen-bonded Turntrans77.540.7170.400000113.7V673 Y677 E678 S679V673-G675 PolarHBondContact O-N 2.56Å; G675-Y677 PolarHBondContact O-N 2.91Å; G675-E678 PolarHBondContact O-N 3.31Å; G675-S679 PolarHBondContact O-N 2.92Å; G675-S679 PolarHBondContact O-OG 3.3Å
676A90.4Very high93.4Very high2 Ų222.4 Ų22.42%0.01714%0.135CC..THydrogen-bonded Turntrans-51.7-19.5-172.400000117V673 L680 Y810 D833V673-A676 HydrophobicContact CB-CB 4.18Å; V673-A676 HydrophobicContact CG1-CB 3.86Å; A676-L680 VanDerWaalsContact O-CD1 3.23Å; A676-L680 WeakPolarHBondContact O-CD1 3.42Å; A676-L680 VanDerWaalsContact O-CG 3.25Å; A676-L680 WeakPolarHBondContact O-CG 3.32Å; A676-Y810 HydrophobicContact CB-CE2 3.9Å; A676-D833 HydrophobicContact CB-CB 3.69Å
677Y92.7Very high93.5Very high42 Ų4225.7 Ų25.717%0.16515%0.15CC..THydrogen-bonded Turntrans-93.9-37.7173.7-73.220.7000110.9G675 S679 G794 I795 Q797 C803 C806 V832G675-Y677 PolarHBondContact O-N 2.91Å; Y677-S679 VanDerWaalsContact C-N 3.32Å; Y677-G794 CarbonylContact O-C 3.38Å; Y677-G794 WeakPolarHBondContact O-CA 3.46Å; Y677-I795 HydrophobicContact CD2-CG1 4.3Å; Y677-I795 HydrophobicContact CG-CD1 4.29Å; Y677-I795 HydrophobicContact CG-CG1 4.07Å; Y677-I795 PolarHBondContact O-N 2.87Å; Y677-Q797 HydrophobicContact CD2-CG 3.53Å; Y677-Q797 HydrophobicContact CE2-CG 4.33Å; Y677-Q797 HydrophobicContact CG-CG 4.12Å; Y677-C803 VanDerWaalsContact OH-CA 3.3Å; Y677-C803 WeakPolarHBondContact OH-CA 3.4Å; Y677-C803 WeakPolarHBondContact OH-CB 3.43Å; Y677-C806 HydrophobicContact CD1-CB 3.91Å; Y677-C806 HydrophobicContact CE1-CB 3.63Å; Y677-V832 HydrophobicContact CE1-CG1 3.62Å
678E89.3Confident93.5Very high28 Ų2823.7 Ų23.713%0.13114%0.143CC..THydrogen-bonded Turntrans-75.4-17.7-179.1-5693.9133.800113.1Q570 P602 G675 Q797Q570-E678 PolarHBondContact NE2-O 3.47Å; P602-E678 HydrophobicContact CG-CG 4.16Å; G675-E678 PolarHBondContact O-N 3.31Å; E678-Q797 PolarHBondContact OE1-NE2 2.87Å; E678-Q797 PolarHBondContact OE2-NE2 2.92Å
679S90.8Very high93.5Very high10 Ų1023.7 Ų23.77%0.0714%0.143CC..SBendtrans-97.1-16.2-175.770.20000115.6G675 Y677 P681 R793 G860G675-S679 PolarHBondContact O-N 2.92Å; G675-S679 PolarHBondContact O-OG 3.3Å; Y677-S679 VanDerWaalsContact C-N 3.32Å; S679-P681 WeakPolarHBondContact O-CD 3.39Å; S679-R793 VanDerWaalsContact O-CZ 3.3Å; S679-R793 PolarHBondContact O-NE 3.06Å; S679-R793 PolarHBondContact O-NH2 2.94Å; S679-G860 WeakPolarHBondContact CB-O 3.12Å; S679-G860 PolarHBondContact OG-O 3.23Å
680L93.9Very high93.3Very high0 Ų025 Ų250%016%0.156CC..  trans-61.9124-173.5-72.4160000112.5A676 L685 G794 I795 C806 C809 Y810A676-L680 VanDerWaalsContact O-CD1 3.23Å; A676-L680 WeakPolarHBondContact O-CD1 3.42Å; A676-L680 VanDerWaalsContact O-CG 3.25Å; A676-L680 WeakPolarHBondContact O-CG 3.32Å; L680-L685 HydrophobicContact CB-CD1 3.71Å; L680-L685 HydrophobicContact CB-CG 4.23Å; L680-L685 HydrophobicContact CD1-CD1 4.35Å; L680-L685 HydrophobicContact CD1-CD2 4.47Å; L680-G794 WeakPolarHBondContact O-CA 3.17Å; L680-G794 PolarHBondContact O-N 3.28Å; L680-I795 HydrophobicContact CD1-CD1 3.59Å; L680-I795 HydrophobicContact CD1-CG1 4Å; L680-C806 HydrophobicContact CD1-CB 4.28Å; L680-C809 HydrophobicContact CD2-CB 3.98Å; L680-Y810 HydrophobicContact CD2-CE1 3.91Å
681P93.9Very high93.2Very high30 Ų3028 Ų2820%0.19517%0.17CC..  trans-69.1134.6174.2-20.935.4000111.5S679 G683 K684 L685 Y859S679-P681 WeakPolarHBondContact O-CD 3.39Å; P681-G683 PolarHBondContact O-N 2.61Å; P681-K684 HydrophobicContact CB-CB 4.5Å; P681-K684 PolarHBondContact O-N 3.03Å; P681-L685 PolarHBondContact O-N 3.42Å; P681-L685 VanDerWaalsContact O-N 3.16Å; P681-Y859 VanDerWaalsContact CD-C 3.45Å
682H93.8Very high93Very high28 Ų2828.3 Ų28.313%0.1317%0.173CC..Hα-helixtrans-63.8-41.1-178.8-76.4-162.8000112.7K684 L685 I686 L777 Q791 G794H682-K684 PolarHBondContact O-N 3.13Å; H682-L685 WeakPolarHBondContact O-CB 3.16Å; H682-L685 PolarHBondContact O-N 3.47Å; H682-I686 WeakPolarHBondContact O-CG1 3.37Å; H682-I686 PolarHBondContact O-N 2.71Å; H682-L777 HydrophobicContact CB-CD2 4Å; H682-L777 HydrophobicContact CB-CG 4.3Å; H682-L777 PolarHBondContact CE1-O 3.41Å; H682-Q791 PolarHBondContact CE1-O 2.86Å; H682-G794 PolarHBondContact NE2-O 3.29Å
683G94Very high92.9Very high53 Ų5327.6 Ų27.655%0.54617%0.169SC..Hα-helixtrans-57.7-48.1177.400000113.3P681 L685 I686 E687P681-G683 PolarHBondContact O-N 2.61Å; G683-L685 VanDerWaalsContact C-N 3.32Å; G683-L685 PolarHBondContact O-N 2.83Å; G683-I686 PolarHBondContact O-N 3.28Å; G683-I686 VanDerWaalsContact O-N 3.16Å; G683-E687 PolarHBondContact O-N 3.45Å
684K95Very high92.9Very high29 Ų2931 Ų3113%0.12619%0.192CC..Hα-helixtrans-68.9-30.1178.7-165.554.3158-178.40112.8P681 H682 E687 V688 Q858 Y859P681-K684 HydrophobicContact CB-CB 4.5Å; P681-K684 PolarHBondContact O-N 3.03Å; H682-K684 PolarHBondContact O-N 3.13Å; K684-E687 HydrophobicContact CD-CB 4.4Å; K684-E687 WeakPolarHBondContact CD-OE2 3.42Å; K684-E687 WeakPolarHBondContact CE-OE2 3.45Å; K684-E687 IonicContact NZ-OE1 3.77Å; K684-E687 PolarHBondContact NZ-OE1 2.97Å; K684-E687 IonicContact NZ-OE2 3.78Å; K684-E687 PolarHBondContact NZ-OE2 3.22Å; K684-V688 HydrophobicContact CD-CG2 4.24Å; K684-V688 HydrophobicContact CG-CG2 4.4Å; K684-V688 WeakPolarHBondContact O-CB 3.35Å; K684-V688 VanDerWaalsContact O-CG2 3.32Å; K684-V688 WeakPolarHBondContact O-CG2 3.29Å; K684-V688 PolarHBondContact O-N 3.09Å; K684-Q858 VanDerWaalsContact CB-O 3.29Å; K684-Q858 WeakPolarHBondContact CB-O 3.33Å; K684-Q858 WeakPolarHBondContact CG-O 3.43Å; K684-Y859 HydrophobicContact CD-CE1 4.33Å; K684-Y859 WeakPolarHBondContact CE-OH 3.41Å; K684-Y859 HydrophobicContact CG-CD1 3.93Å; K684-Y859 HydrophobicContact CG-CE1 4.02Å; K684-Y859 HydrophobicContact CG-CG 4.41Å
685L95.1Very high92.9Very high0 Ų033.6 Ų33.60%021%0.208CC..Hα-helixtrans-67.1-39.6170.1-81.1173.1000112.4L680 P681 H682 G683 I689 F773 L777 I795 L805 C809L680-L685 HydrophobicContact CB-CD1 3.71Å; L680-L685 HydrophobicContact CB-CG 4.23Å; L680-L685 HydrophobicContact CD1-CD1 4.35Å; L680-L685 HydrophobicContact CD1-CD2 4.47Å; P681-L685 PolarHBondContact O-N 3.42Å; P681-L685 VanDerWaalsContact O-N 3.16Å; H682-L685 WeakPolarHBondContact O-CB 3.16Å; H682-L685 PolarHBondContact O-N 3.47Å; G683-L685 VanDerWaalsContact C-N 3.32Å; G683-L685 PolarHBondContact O-N 2.83Å; L685-I689 VanDerWaalsContact O-CB 3.28Å; L685-I689 WeakPolarHBondContact O-CB 3.34Å; L685-I689 WeakPolarHBondContact O-CG1 3.38Å; L685-I689 PolarHBondContact O-N 2.74Å; L685-F773 HydrophobicContact CB-CZ 4.32Å; L685-L777 HydrophobicContact CB-CD2 4.05Å; L685-L777 HydrophobicContact CD1-CD1 4.39Å; L685-I795 HydrophobicContact CD1-CG2 3.53Å; L685-L805 HydrophobicContact CD2-CB 4.49Å; L685-C809 HydrophobicContact CD2-CB 3.85Å
686I95.6Very high93Very high60 Ų6032.7 Ų32.731%0.30820%0.196SC..Hα-helixtrans-64.3-44.8175-68.5165.9000110.5H682 G683 G690 F773 T774 L777 T778H682-I686 WeakPolarHBondContact O-CG1 3.37Å; H682-I686 PolarHBondContact O-N 2.71Å; G683-I686 PolarHBondContact O-N 3.28Å; G683-I686 VanDerWaalsContact O-N 3.16Å; I686-G690 WeakPolarHBondContact O-CA 3.42Å; I686-G690 PolarHBondContact O-N 3.16Å; I686-F773 HydrophobicContact CG1-CE1 4.45Å; I686-T774 HydrophobicContact CD1-CG2 4.43Å; I686-L777 HydrophobicContact CD1-CD2 4.3Å; I686-L777 HydrophobicContact CG1-CD2 3.9Å; I686-T778 HydrophobicContact CD1-CG2 4.49Å
687E95.4Very high92.9Very high81 Ų8135.7 Ų35.738%0.37921%0.21SC..Hα-helixtrans-58.2-57.5175.9-169.7-154.512400112.1G683 K684 I689 G690 Q691G683-E687 PolarHBondContact O-N 3.45Å; K684-E687 HydrophobicContact CD-CB 4.4Å; K684-E687 WeakPolarHBondContact CD-OE2 3.42Å; K684-E687 WeakPolarHBondContact CE-OE2 3.45Å; K684-E687 IonicContact NZ-OE1 3.77Å; K684-E687 PolarHBondContact NZ-OE1 2.97Å; K684-E687 IonicContact NZ-OE2 3.78Å; K684-E687 PolarHBondContact NZ-OE2 3.22Å; E687-I689 PolarHBondContact O-N 3Å; E687-G690 PolarHBondContact O-N 3.29Å; E687-Q691 WeakPolarHBondContact O-CG 3.25Å; E687-Q691 PolarHBondContact O-N 2.96Å; E687-Q691 PolarHBondContact OE1-NE2 3.19Å
688V95.9Very high92.7Very high7 Ų739.2 Ų39.24%0.04223%0.231CC..Hα-helixtrans-68.1-39.6-173.2173.80000112.5K684 A692 H812K684-V688 HydrophobicContact CD-CG2 4.24Å; K684-V688 HydrophobicContact CG-CG2 4.4Å; K684-V688 WeakPolarHBondContact O-CB 3.35Å; K684-V688 VanDerWaalsContact O-CG2 3.32Å; K684-V688 WeakPolarHBondContact O-CG2 3.29Å; K684-V688 PolarHBondContact O-N 3.09Å; V688-A692 WeakPolarHBondContact O-CB 3.46Å; V688-A692 PolarHBondContact O-N 2.98Å; V688-H812 HydrophobicContact CB-CB 4.4Å; V688-H812 HydrophobicContact CG1-CB 3.6Å; V688-H812 HydrophobicContact CG2-CB 3.84Å
689I95.4Very high92.6Very high0 Ų042 Ų420%024%0.244CC..Hα-helixtrans-76.2-31.1177.8-57.9-63.3000110.9L627 L685 E687 A692 L693 F773 L805 L808L627-I689 HydrophobicContact CD2-CG2 4.22Å; L685-I689 VanDerWaalsContact O-CB 3.28Å; L685-I689 WeakPolarHBondContact O-CB 3.34Å; L685-I689 WeakPolarHBondContact O-CG1 3.38Å; L685-I689 PolarHBondContact O-N 2.74Å; E687-I689 PolarHBondContact O-N 3Å; I689-A692 PolarHBondContact O-N 2.99Å; I689-L693 HydrophobicContact CG2-CD1 3.92Å; I689-L693 HydrophobicContact CG2-CG 4.37Å; I689-L693 WeakPolarHBondContact O-CB 3.36Å; I689-L693 WeakPolarHBondContact O-CG 3.35Å; I689-L693 PolarHBondContact O-N 3.08Å; I689-F773 HydrophobicContact CB-CD1 3.97Å; I689-F773 HydrophobicContact CB-CE1 3.48Å; I689-F773 VanDerWaalsContact CB-CE1 3.48Å; I689-F773 HydrophobicContact CB-CZ 3.82Å; I689-F773 HydrophobicContact CG1-CE1 3.91Å; I689-F773 HydrophobicContact CG1-CE2 4.29Å; I689-F773 HydrophobicContact CG1-CZ 3.68Å; I689-F773 HydrophobicContact CG2-CD1 3.57Å; I689-F773 HydrophobicContact CG2-CD2 4.33Å; I689-F773 HydrophobicContact CG2-CE1 3.61Å; I689-F773 HydrophobicContact CG2-CE2 4.38Å; I689-F773 HydrophobicContact CG2-CG 3.94Å; I689-F773 HydrophobicContact CG2-CZ 4.03Å; I689-L805 HydrophobicContact CD1-CD2 3.69Å; I689-L805 HydrophobicContact CG1-CD2 3.96Å; I689-L808 HydrophobicContact CD1-CB 3.88Å; I689-L808 HydrophobicContact CD1-CD1 3.52Å; I689-L808 HydrophobicContact CD1-CG 4.34Å
690G94.3Very high92.4Very high26 Ų2644.1 Ų44.127%0.26826%0.255SS..Hα-helixtrans-58.6-50.9168.900000111.6I686 E687 A692 L693 C694I686-G690 WeakPolarHBondContact O-CA 3.42Å; I686-G690 PolarHBondContact O-N 3.16Å; E687-G690 PolarHBondContact O-N 3.29Å; G690-A692 PolarHBondContact O-N 2.74Å; G690-L693 CarbonylContact O-C 3.47Å; G690-L693 PolarHBondContact O-N 2.64Å; G690-C694 WeakPolarHBondContact O-CB 3.24Å; G690-C694 PolarHBondContact O-N 3.47Å
691Q93.1Very high92.1Very high93 Ų9344.1 Ų44.144%0.43526%0.255SS..Hα-helixtrans-57.8-44.3173.6-69.8169.210.300112.3E687 L693 C694 P695 H812E687-Q691 WeakPolarHBondContact O-CG 3.25Å; E687-Q691 PolarHBondContact O-N 2.96Å; E687-Q691 PolarHBondContact OE1-NE2 3.19Å; Q691-L693 VanDerWaalsContact C-N 3.27Å; Q691-L693 PolarHBondContact O-N 3.23Å; Q691-C694 PolarHBondContact O-N 3.29Å; Q691-P695 VanDerWaalsContact O-CD 3.3Å; Q691-P695 WeakPolarHBondContact O-CD 3.36Å; Q691-H812 PolarHBondContact OE1-CD2 3.39Å; Q691-H812 PolarHBondContact OE1-NE2 2.95Å; Q691-H812 VanDerWaalsContact OE1-NE2 3.1Å
692A92.6Very high91.8Very high7 Ų743.3 Ų43.36%0.05825%0.249CC..Hα-helixtrans-67.1-23.7179.900000114.1L637 V688 I689 G690L637-A692 HydrophobicContact CD1-CB 4.3Å; L637-A692 HydrophobicContact CD2-CB 4.27Å; V688-A692 WeakPolarHBondContact O-CB 3.46Å; V688-A692 PolarHBondContact O-N 2.98Å; I689-A692 PolarHBondContact O-N 2.99Å; G690-A692 PolarHBondContact O-N 2.74Å
693L92.6Very high91.4Very high0 Ų042.2 Ų42.20%024%0.244CC..Hα-helixtrans-100.2-12.5176.5-67.6175.8000113.5L623 V626 L627 I689 G690 Q691 V696 Q697L623-L693 HydrophobicContact CD1-CD1 4.41Å; V626-L693 HydrophobicContact CG1-CD2 3.9Å; L627-L693 HydrophobicContact CD2-CD1 4.39Å; L627-L693 HydrophobicContact CD2-CD2 3.77Å; L627-L693 HydrophobicContact CD2-CG 4.02Å; I689-L693 HydrophobicContact CG2-CD1 3.92Å; I689-L693 HydrophobicContact CG2-CG 4.37Å; I689-L693 WeakPolarHBondContact O-CB 3.36Å; I689-L693 WeakPolarHBondContact O-CG 3.35Å; I689-L693 PolarHBondContact O-N 3.08Å; G690-L693 CarbonylContact O-C 3.47Å; G690-L693 PolarHBondContact O-N 2.64Å; Q691-L693 VanDerWaalsContact C-N 3.27Å; Q691-L693 PolarHBondContact O-N 3.23Å; L693-V696 HydrophobicContact CD2-CG2 4.17Å; L693-V696 VanDerWaalsContact O-CG2 3.25Å; L693-V696 WeakPolarHBondContact O-CG2 3.4Å; L693-V696 PolarHBondContact O-N 2.99Å; L693-V696 VanDerWaalsContact O-N 3.11Å; L693-Q697 PolarHBondContact O-N 3.46Å
694C91.1Very high91.1Very high73 Ų7340 Ų4049%0.49322%0.22SC..G310 helixtrans-60.3-41.8-176.2-164.60000113.9G690 Q691 V696G690-C694 WeakPolarHBondContact O-CB 3.24Å; G690-C694 PolarHBondContact O-N 3.47Å; Q691-C694 PolarHBondContact O-N 3.29Å; C694-V696 PolarHBondContact O-N 3.21Å; C694-V696 VanDerWaalsContact O-N 3.11Å
695P89.9Confident90.9Very high105 Ų10542.7 Ų42.768%0.68223%0.229SC*.G310 helixtrans-69.6-2.9177.4-19.433000114.7Q691Q691-P695 VanDerWaalsContact O-CD 3.3Å; Q691-P695 WeakPolarHBondContact O-CD 3.36Å
696V88.6Confident90.7Very high12 Ų1243.3 Ų43.37%0.07323%0.231CC..G310 helixtrans-132.818.9-171.5-55.20000113.3L693 C694 D698 E699 F701 F727 G766L693-V696 HydrophobicContact CD2-CG2 4.17Å; L693-V696 VanDerWaalsContact O-CG2 3.25Å; L693-V696 WeakPolarHBondContact O-CG2 3.4Å; L693-V696 PolarHBondContact O-N 2.99Å; L693-V696 VanDerWaalsContact O-N 3.11Å; C694-V696 PolarHBondContact O-N 3.21Å; C694-V696 VanDerWaalsContact O-N 3.11Å; V696-D698 PolarHBondContact O-N 3.19Å; V696-E699 HydrophobicContact CB-CB 4.04Å; V696-E699 HydrophobicContact CB-CG 4.01Å; V696-E699 HydrophobicContact CG1-CG 4.31Å; V696-E699 WeakPolarHBondContact O-CB 3.43Å; V696-E699 PolarHBondContact O-N 2.8Å; V696-F701 HydrophobicContact CB-CE2 4.23Å; V696-F701 HydrophobicContact CB-CZ 3.9Å; V696-F701 HydrophobicContact CG1-CZ 4.34Å; V696-F701 HydrophobicContact CG2-CE2 4.35Å; V696-F701 HydrophobicContact CG2-CZ 4.07Å; V696-F727 HydrophobicContact CB-CE1 4.46Å; V696-F727 HydrophobicContact CG1-CE1 3.72Å; V696-F727 HydrophobicContact CG1-CZ 4.14Å; V696-G766 VanDerWaalsContact O-CA 3.26Å; V696-G766 WeakPolarHBondContact O-CA 3.27Å
697Q87.8Confident90.7Very high66 Ų6640.5 Ų40.531%0.30822%0.217SC..SBendtrans-62.1-46-174.9-69.3-163.462.100112.5L693 G766 K767L693-Q697 PolarHBondContact O-N 3.46Å; Q697-G766 PolarHBondContact O-N 2.9Å; Q697-K767 HydrophobicContact CB-CB 4.26Å; Q697-K767 VanDerWaalsContact O-CB 3.29Å; Q697-K767 WeakPolarHBondContact O-CB 3.34Å; Q697-K767 PolarHBondContact O-N 3.4Å
698D88.5Confident90.6Very high115 Ų11539.3 Ų39.362%0.61521%0.21SC*.SBendtrans-93.8-4.7-177.3-56.4-69.1000113.1V696V696-D698 PolarHBondContact O-N 3.19Å
699E87.1Confident90.4Very high86 Ų8639 Ų3940%0.40221%0.208SC..  trans-63.5142.7172.3-72-67153.300112.8V696 F701 F727 R765 G766V696-E699 HydrophobicContact CB-CB 4.04Å; V696-E699 HydrophobicContact CB-CG 4.01Å; V696-E699 HydrophobicContact CG1-CG 4.31Å; V696-E699 WeakPolarHBondContact O-CB 3.43Å; V696-E699 PolarHBondContact O-N 2.8Å; E699-F701 HydrophobicContact CB-CE2 4.03Å; E699-F701 HydrophobicContact CB-CZ 4.34Å; E699-F727 HydrophobicContact CG-CD1 4.49Å; E699-R765 WeakPolarHBondContact O-CA 3.32Å; E699-G766 PolarHBondContact O-N 2.93Å
700L87.9Confident90.2Very high56 Ų5642.5 Ų42.529%0.29322%0.222SC..EExtended strand (participates in β ladder)trans-99.7133.7175.4-76.1167.4000111.6L728 R765L700-L728 HydrophobicContact CB-CB 4.04Å; L700-L728 HydrophobicContact CB-CD2 3.88Å; L700-L728 HydrophobicContact CD1-CD2 3.87Å; L700-L728 WeakPolarHBondContact O-CB 3.49Å; L700-L728 PolarHBondContact O-N 3.2Å; L700-R765 HydrophobicContact CD2-CG 3.66Å
701F87.3Confident89.9Confident0 Ų043.6 Ų43.60%023%0.228CC..EExtended strand (participates in β ladder)trans-111.7119.4-177.9-69.6-85.4000112.3V626 A629 V696 E699 D726 F727 L764V626-F701 HydrophobicContact CG1-CD2 4.3Å; V626-F701 HydrophobicContact CG1-CE1 4.34Å; V626-F701 HydrophobicContact CG1-CE2 3.94Å; V626-F701 HydrophobicContact CG1-CZ 3.95Å; V626-F701 HydrophobicContact CG2-CB 4.34Å; V626-F701 HydrophobicContact CG2-CD1 4.4Å; V626-F701 HydrophobicContact CG2-CD2 4.07Å; V626-F701 HydrophobicContact CG2-CG 4Å; A629-F701 HydrophobicContact CB-CD1 3.97Å; A629-F701 HydrophobicContact CB-CE1 3.6Å; V696-F701 HydrophobicContact CB-CE2 4.23Å; V696-F701 HydrophobicContact CB-CZ 3.9Å; V696-F701 HydrophobicContact CG1-CZ 4.34Å; V696-F701 HydrophobicContact CG2-CE2 4.35Å; V696-F701 HydrophobicContact CG2-CZ 4.07Å; E699-F701 HydrophobicContact CB-CE2 4.03Å; E699-F701 HydrophobicContact CB-CZ 4.34Å; F701-D726 CarbonylContact C-O 3.55Å; F701-F727 AromaticContact CE1-CD1 3.74Å; F701-F727 HydrophobicContact CE1-CD1 3.74Å; F701-F727 HydrophobicContact CE1-CD2 4.39Å; F701-F727 AromaticContact CE1-CE1 3.51Å; F701-F727 HydrophobicContact CE1-CE1 3.51Å; F701-F727 HydrophobicContact CE1-CE2 4.18Å; F701-F727 HydrophobicContact CE1-CG 4.18Å; F701-F727 AromaticContact CE1-CZ 3.74Å; F701-F727 HydrophobicContact CE1-CZ 3.74Å; F701-F727 HydrophobicContact CZ-CD1 4.04Å; F701-F727 AromaticContact CZ-CE1 3.59Å; F701-F727 HydrophobicContact CZ-CE1 3.59Å; F701-F727 HydrophobicContact CZ-CZ 4.08Å; F701-L764 HydrophobicContact CB-CB 4.49Å; F701-L764 PolarHBondContact N-O 2.8Å
702T86.7Confident89.3Confident12 Ų1240.5 Ų40.57%0.07422%0.215CC..EExtended strand (participates in β ladder)trans-81.7118.6172.166.50000111A725 D726 L728 F760 C761T702-A725 CarbonylContact O-C 3.58Å; T702-A725 VanDerWaalsContact O-CA 3.23Å; T702-A725 WeakPolarHBondContact O-CA 3.26Å; T702-D726 PolarHBondContact N-O 3.41Å; T702-D726 PolarHBondContact O-N 2.94Å; T702-D726 PolarHBondContact OG1-O 3.38Å; T702-L728 HydrophobicContact CG2-CB 4.18Å; T702-L728 HydrophobicContact CG2-CD1 3.57Å; T702-L728 HydrophobicContact CG2-CG 4.47Å; T702-F760 HydrophobicContact CG2-CE2 4.41Å; T702-F760 HydrophobicContact CG2-CZ 4.02Å; T702-C761 CarbonylContact C-O 3.57Å; T702-C761 WeakPolarHBondContact CA-O 3.49Å
703I86.1Confident88.3Confident6 Ų644.1 Ų44.13%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-96.8115177.1-73.3156.3000109.3R723 A725 F760 C761 L764I703-R723 VanDerWaalsContact CG2-NE 3.28Å; I703-R723 VanDerWaalsContact CG2-NH2 3.31Å; I703-A725 HydrophobicContact CG1-CB 4.04Å; I703-F760 VanDerWaalsContact O-CA 3.31Å; I703-F760 WeakPolarHBondContact O-CA 3.28Å; I703-C761 HydrophobicContact CB-CB 4.38Å; I703-C761 PolarHBondContact N-O 3.35Å; I703-C761 PolarHBondContact O-N 2.95Å; I703-C761 VanDerWaalsContact O-N 3.12Å; I703-L764 HydrophobicContact CD1-CB 4.14Å; I703-L764 HydrophobicContact CD1-CD2 3.69Å
704R87.8Confident87.1Confident7 Ų747 Ų473%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-111.8131.2174.4-154.6179.1-60.4-94.96.4111.1Y706 R723 Q724 S734 T735 E757 F760R704-Y706 HydrophobicContact CG-CD1 4.33Å; R704-R723 WeakPolarHBondContact O-CA 3.14Å; R704-Q724 PolarHBondContact N-O 3.05Å; R704-Q724 PolarHBondContact O-N 3.19Å; R704-S734 PolarHBondContact NH2-O 3.04Å; R704-T735 PolarHBondContact NH1-O 2.76Å; R704-T735 PolarHBondContact NH2-O 3.35Å; R704-E757 WeakPolarHBondContact CD-OE1 3.22Å; R704-E757 HydrophobicContact CG-CG 4.35Å; R704-E757 VanDerWaalsContact CG-OE1 3.23Å; R704-E757 WeakPolarHBondContact CG-OE1 3.16Å; R704-E757 IonicContact CZ-OE1 3.47Å; R704-E757 IonicContact NE-OE1 2.7Å; R704-E757 IonicContact NH1-OE1 3.39Å; R704-E757 PolarHBondContact NH1-OE1 2.82Å; R704-F760 HydrophobicContact CB-CD2 4.38Å; R704-F760 HydrophobicContact CG-CD2 4.21Å
705R90.3Very high86.1Confident85 Ų8545.1 Ų45.132%0.32124%0.237SC..EExtended strand (participates in β ladder)trans-118.1125.2171.8-58.6-176.7-173.7148.33.7109.4V722 R723 Q758 H759R705-V722 WeakPolarHBondContact CA-O 3.4Å; R705-R723 HydrophobicContact CG-CB 4.22Å; R705-R723 HydrophobicContact CG-CG 3.94Å; R705-Q758 HydrophobicContact CB-CB 4.38Å; R705-Q758 WeakPolarHBondContact O-CB 3.34Å; R705-Q758 PolarHBondContact O-N 2.81Å; R705-H759 HydrophobicContact CB-CB 4.17Å; R705-H759 HydrophobicContact CG-CB 4.38Å; R705-H759 PolarHBondContact N-O 2.84Å; R705-H759 PolarHBondContact O-N 2.86Å
706Y91.7Very high85.6Confident13 Ų1341.5 Ų41.55%0.05122%0.218CC..EExtended strand (participates in β ladder)trans-148.7151.2-176.862.7-87.1000112.6R704 V722 F740 L755 V756R704-Y706 HydrophobicContact CG-CD1 4.33Å; Y706-V722 HydrophobicContact CD1-CB 4.37Å; Y706-V722 HydrophobicContact CD2-CB 4.25Å; Y706-V722 HydrophobicContact CE1-CB 3.96Å; Y706-V722 HydrophobicContact CE1-CG1 3.84Å; Y706-V722 HydrophobicContact CE2-CB 3.86Å; Y706-V722 HydrophobicContact CE2-CG1 4.3Å; Y706-V722 HydrophobicContact CE2-CG2 4.03Å; Y706-V722 PolarHBondContact N-O 2.7Å; Y706-V722 PolarHBondContact O-N 3.07Å; Y706-F740 HydrophobicContact CD1-CE1 4.13Å; Y706-F740 HydrophobicContact CD1-CZ 4.44Å; Y706-F740 AromaticContact CE1-CE1 3.63Å; Y706-F740 HydrophobicContact CE1-CE1 3.63Å; Y706-F740 AromaticContact CE1-CZ 3.67Å; Y706-F740 HydrophobicContact CE1-CZ 3.67Å; Y706-F740 AromaticContact CZ-CE1 3.89Å; Y706-L755 HydrophobicContact CD2-CD1 3.95Å; Y706-L755 HydrophobicContact CD2-CD2 3.81Å; Y706-L755 HydrophobicContact CD2-CG 4.36Å; Y706-L755 HydrophobicContact CE2-CD1 3.97Å; Y706-L755 HydrophobicContact CE2-CD2 3.89Å; Y706-V756 CarbonylContact C-O 3.58Å; Y706-V756 VanDerWaalsContact CA-O 3.28Å; Y706-V756 WeakPolarHBondContact CA-O 3.43Å; Y706-V756 WeakPolarHBondContact CB-O 3.29Å
707A93.9Very high85.5Confident0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-90132.6167.800000110Y173 A720 F721 L755 V756Y173-A707 HydrophobicContact CD1-CB 3.4Å; Y173-A707 HydrophobicContact CE1-CB 4.06Å; Y173-A707 HydrophobicContact CG-CB 3.87Å; A707-A720 CarbonylContact C-O 3.6Å; A707-A720 WeakPolarHBondContact CA-O 3.24Å; A707-F721 HydrophobicContact CB-CD1 3.73Å; A707-F721 HydrophobicContact CB-CE1 3.73Å; A707-L755 CarbonylContact O-C 3.6Å; A707-L755 WeakPolarHBondContact O-CA 3.28Å; A707-V756 HydrophobicContact CB-CB 4.34Å; A707-V756 PolarHBondContact N-O 2.77Å; A707-V756 PolarHBondContact O-N 2.83Å
708K93.3Very high85.4Confident56 Ų5641.6 Ų41.624%0.24322%0.219CC..EExtended strand (participates in β ladder)trans-102.7127.3168.4175.7-176.8171.2167.90109W710 K719 A720 L750 A753 L755K708-W710 HydrophobicContact CD-CE3 4.23Å; K708-W710 HydrophobicContact CD-CZ3 4.4Å; K708-W710 HydrophobicContact CG-CE3 3.9Å; K708-W710 HydrophobicContact CG-CZ3 4.25Å; K708-K719 CarbonylContact O-C 3.53Å; K708-K719 VanDerWaalsContact O-CA 3.27Å; K708-K719 WeakPolarHBondContact O-CA 3.13Å; K708-A720 PolarHBondContact N-O 2.88Å; K708-A720 PolarHBondContact O-N 2.99Å; K708-L750 HydrophobicContact CD-CD1 3.61Å; K708-L750 HydrophobicContact CG-CD1 4.12Å; K708-L750 VanDerWaalsContact NZ-CD1 3.3Å; K708-A753 HydrophobicContact CG-CB 4.32Å; K708-L755 HydrophobicContact CB-CD2 3.88Å; K708-L755 HydrophobicContact CG-CD2 4.1Å
709I93.4Very high85.4Confident0 Ų039.2 Ų39.20%020%0.204CC..EExtended strand (participates in β ladder)trans-119.6134.7176.2-53.6164.7000108.6I12 A172 V176 L717 K718 K719 A753 I754 V756I12-I709 HydrophobicContact CG2-CG2 4.23Å; A172-I709 HydrophobicContact CB-CD1 3.76Å; V176-I709 HydrophobicContact CG2-CB 4.46Å; V176-I709 HydrophobicContact CG2-CD1 3.91Å; V176-I709 HydrophobicContact CG2-CG1 4.07Å; V176-I709 HydrophobicContact CG2-CG2 3.56Å; I709-L717 HydrophobicContact CG2-CD1 3.89Å; I709-L717 HydrophobicContact CG2-CG 4.28Å; I709-K718 WeakPolarHBondContact CA-O 3.42Å; I709-K718 WeakPolarHBondContact CG2-O 3.26Å; I709-K719 HydrophobicContact CG1-CB 4.31Å; I709-A753 VanDerWaalsContact O-CA 3.31Å; I709-A753 WeakPolarHBondContact O-CA 3.48Å; I709-A753 WeakPolarHBondContact O-CB 3.31Å; I709-I754 HydrophobicContact CB-CB 4.18Å; I709-I754 HydrophobicContact CD1-CB 4.47Å; I709-I754 HydrophobicContact CD1-CG2 4.43Å; I709-I754 PolarHBondContact N-O 2.95Å; I709-I754 PolarHBondContact O-N 3.07Å; I709-V756 HydrophobicContact CD1-CG2 4.26Å
710W91.4Very high85.6Confident74 Ų7436.9 Ų36.928%0.2820%0.199SC..EExtended strand (participates in β ladder)trans-153.9155.8179.273103.5000111.8K708 K718 A720K708-W710 HydrophobicContact CD-CE3 4.23Å; K708-W710 HydrophobicContact CD-CZ3 4.4Å; K708-W710 HydrophobicContact CG-CE3 3.9Å; K708-W710 HydrophobicContact CG-CZ3 4.25Å; W710-K718 HydrophobicContact CD2-CB 3.88Å; W710-K718 HydrophobicContact CE3-CB 4.11Å; W710-K718 HydrophobicContact CH2-CB 4Å; W710-K718 HydrophobicContact CZ2-CB 3.75Å; W710-K718 HydrophobicContact CZ2-CD 3.69Å; W710-K718 HydrophobicContact CZ2-CG 4.35Å; W710-K718 HydrophobicContact CZ3-CB 4.18Å; W710-K718 PolarHBondContact N-O 2.69Å; W710-K718 PolarHBondContact O-N 2.68Å; W710-A720 HydrophobicContact CH2-CB 3.96Å; W710-A720 HydrophobicContact CZ3-CB 3.8Å
711A86.7Confident85.7Confident50 Ų5039.7 Ų39.741%0.41321%0.209SC..EExtended strand (participates in β ladder)trans-89.3149.3174.400000112.3I12I12-A711 HydrophobicContact CD1-CB 4.14Å; I12-A711 HydrophobicContact CG1-CB 3.82Å
712D80.6Confident85.8Confident27 Ų2741.7 Ų41.714%0.14422%0.221CC..EExtended strand (participates in β ladder)trans-127.4131.6168.1-177.6-60.6000108.5H714 E715 G716 K718 R944D712-H714 PolarHBondContact O-N 3.1Å; D712-H714 VanDerWaalsContact O-N 3.13Å; D712-H714 PolarHBondContact OD1-N 2.82Å; D712-E715 HydrophobicContact CB-CB 4.06Å; D712-E715 PolarHBondContact OD1-N 3.02Å; D712-G716 WeakPolarHBondContact CB-O 3.16Å; D712-G716 PolarHBondContact N-O 3.25Å; D712-G716 VanDerWaalsContact O-CA 3.28Å; D712-G716 WeakPolarHBondContact O-CA 3.25Å; D712-G716 PolarHBondContact O-N 3.27Å; D712-K718 HydrophobicContact CB-CD 4.02Å; D712-K718 IonicContact OD2-NZ 3.66Å; D712-K718 PolarHBondContact OD2-NZ 2.91Å; D712-R944 IonicContact OD2-NE 2.7Å
713S71.6Confident85.9Confident84 Ų8443.4 Ų43.459%0.58723%0.226SC*.THydrogen-bonded Turntrans-69.5-10.1-17265.60000115K1010S713-K1010 PolarHBondContact OG-NZ 3.49Å
714H68Low85.9Confident59 Ų5944.9 Ų44.927%0.27323%0.233SC..THydrogen-bonded Turntrans-126-30.6179.8-53.8-88.5000113D712 M940 Y1007D712-H714 PolarHBondContact O-N 3.1Å; D712-H714 VanDerWaalsContact O-N 3.13Å; D712-H714 PolarHBondContact OD1-N 2.82Å; H714-M940 HydrophobicContact CB-CG 4.43Å; H714-M940 HydrophobicContact CB-SD 4.43Å; H714-Y1007 HydrophobicContact CB-CD1 4.14Å; H714-Y1007 HydrophobicContact CB-CD2 4.31Å; H714-Y1007 HydrophobicContact CB-CE1 4.01Å; H714-Y1007 HydrophobicContact CB-CE2 4.18Å; H714-Y1007 HydrophobicContact CB-CG 4.27Å; H714-Y1007 AromaticContact CD2-CD2 3.18Å; H714-Y1007 WeakPolarHBondContact CD2-CD2 3.46Å; H714-Y1007 AromaticContact CD2-CE2 3.17Å; H714-Y1007 WeakPolarHBondContact CD2-CE2 3.27Å; H714-Y1007 AromaticContact CD2-CG 3.88Å; H714-Y1007 AromaticContact CD2-CZ 3.86Å; H714-Y1007 AromaticContact CG-CD2 3.6Å; H714-Y1007 AromaticContact CG-CE2 3.77Å; H714-Y1007 AromaticContact CG-CG 3.8Å; H714-Y1007 AromaticContact NE2-CD2 3.53Å; H714-Y1007 AromaticContact NE2-CE2 3.91Å
715E70.4Confident85.9Confident35 Ų3544.6 Ų44.616%0.16423%0.232CC..THydrogen-bonded Turntrans-88.5-21.1173.4-73.9-176.7-112.500113.6D712 K718 M940 A941 R944D712-E715 HydrophobicContact CB-CB 4.06Å; D712-E715 PolarHBondContact OD1-N 3.02Å; E715-K718 IonicContact OE1-NZ 2.68Å; E715-K718 PolarHBondContact OE1-NZ 2.93Å; E715-K718 WeakPolarHBondContact OE2-CE 3.38Å; E715-K718 IonicContact OE2-NZ 3.37Å; E715-K718 PolarHBondContact OE2-NZ 3.07Å; E715-M940 HydrophobicContact CG-CB 4.34Å; E715-A941 VanDerWaalsContact CD-CB 3.46Å; E715-A941 HydrophobicContact CG-CB 4.05Å; E715-A941 WeakPolarHBondContact OE2-CB 3.44Å; E715-R944 IonicContact OE1-CZ 2.72Å; E715-R944 VanDerWaalsContact OE1-CZ 3.22Å; E715-R944 IonicContact OE1-NE 2.67Å; E715-R944 PolarHBondContact OE1-NE 2.81Å; E715-R944 IonicContact OE1-NH2 3.8Å; E715-R944 PolarHBondContact OE1-NH2 2.9Å; E715-R944 IonicContact OE2-NH2 3.63Å
716G79.3Confident85.6Confident28 Ų2842 Ų4229%0.28922%0.224SC..EExtended strand (participates in β ladder)trans88.1-155.6-17600000113.5D712D712-G716 WeakPolarHBondContact CB-O 3.16Å; D712-G716 PolarHBondContact N-O 3.25Å; D712-G716 VanDerWaalsContact O-CA 3.28Å; D712-G716 WeakPolarHBondContact O-CA 3.25Å; D712-G716 PolarHBondContact O-N 3.27Å
717L86Confident85.2Confident54 Ų5443.9 Ų43.928%0.28323%0.233SC..EExtended strand (participates in β ladder)trans-75.2131.9-175.3-168.863.8000112.3I12 L16 V176 I709I12-L717 HydrophobicContact CB-CD1 4.41Å; I12-L717 HydrophobicContact CG1-CD1 4.1Å; I12-L717 HydrophobicContact CG2-CD1 3.6Å; L16-L717 HydrophobicContact CD1-CD2 4.21Å; L16-L717 HydrophobicContact CD2-CD2 3.52Å; L16-L717 HydrophobicContact CG-CD2 3.89Å; V176-L717 HydrophobicContact CB-CD2 4.45Å; V176-L717 HydrophobicContact CG1-CD2 4.25Å; V176-L717 HydrophobicContact CG1-CG 4.1Å; V176-L717 HydrophobicContact CG2-CD2 3.88Å; V176-L717 HydrophobicContact CG2-CG 4.3Å; I709-L717 HydrophobicContact CG2-CD1 3.89Å; I709-L717 HydrophobicContact CG2-CG 4.28Å
718K85.4Confident84.3Confident27 Ų2747 Ų4712%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-122153.5-175.2-68.9173.1176.6175.60111.7I709 W710 D712 E715I709-K718 WeakPolarHBondContact CA-O 3.42Å; I709-K718 WeakPolarHBondContact CG2-O 3.26Å; W710-K718 HydrophobicContact CD2-CB 3.88Å; W710-K718 HydrophobicContact CE3-CB 4.11Å; W710-K718 HydrophobicContact CH2-CB 4Å; W710-K718 HydrophobicContact CZ2-CB 3.75Å; W710-K718 HydrophobicContact CZ2-CD 3.69Å; W710-K718 HydrophobicContact CZ2-CG 4.35Å; W710-K718 HydrophobicContact CZ3-CB 4.18Å; W710-K718 PolarHBondContact N-O 2.69Å; W710-K718 PolarHBondContact O-N 2.68Å; D712-K718 HydrophobicContact CB-CD 4.02Å; D712-K718 IonicContact OD2-NZ 3.66Å; D712-K718 PolarHBondContact OD2-NZ 2.91Å; E715-K718 IonicContact OE1-NZ 2.68Å; E715-K718 PolarHBondContact OE1-NZ 2.93Å; E715-K718 WeakPolarHBondContact OE2-CE 3.38Å; E715-K718 IonicContact OE2-NZ 3.37Å; E715-K718 PolarHBondContact OE2-NZ 3.07Å
719K89.5Confident83Confident65 Ų6549.7 Ų49.728%0.28326%0.263SS..EExtended strand (participates in β ladder)trans-135.3150.3167.363.4179.8171.9-149.80111.5Y173 V176 K708 I709 F721Y173-K719 WeakPolarHBondContact O-CD 3.17Å; Y173-K719 PolarHBondContact O-NZ 2.77Å; V176-K719 HydrophobicContact CB-CB 4.48Å; V176-K719 HydrophobicContact CB-CD 4.03Å; V176-K719 HydrophobicContact CB-CG 4.48Å; V176-K719 HydrophobicContact CG1-CB 3.98Å; V176-K719 HydrophobicContact CG1-CD 4.01Å; V176-K719 HydrophobicContact CG1-CG 3.95Å; V176-K719 PolarHBondContact O-NZ 3.27Å; K708-K719 CarbonylContact O-C 3.53Å; K708-K719 VanDerWaalsContact O-CA 3.27Å; K708-K719 WeakPolarHBondContact O-CA 3.13Å; I709-K719 HydrophobicContact CG1-CB 4.31Å; K719-F721 HydrophobicContact CD-CZ 4.5Å
720A90Very high81Confident36 Ų3657.4 Ų57.430%0.29830%0.304SS..EExtended strand (participates in β ladder)trans-139.5149.4167.900000109.2A707 K708 W710A707-A720 CarbonylContact C-O 3.6Å; A707-A720 WeakPolarHBondContact CA-O 3.24Å; K708-A720 PolarHBondContact N-O 2.88Å; K708-A720 PolarHBondContact O-N 2.99Å; W710-A720 HydrophobicContact CH2-CB 3.96Å; W710-A720 HydrophobicContact CZ3-CB 3.8Å
721F91.1Very high79.1Confident115 Ų11559.5 Ų59.550%0.50432%0.321SS..EExtended strand (participates in β ladder)trans-101.9129.5170.7-60.4-74.9000108.2Y173 A707 K719Y173-F721 HydrophobicContact CD1-CE1 4.3Å; Y173-F721 AromaticContact CD2-CE1 3.71Å; Y173-F721 HydrophobicContact CD2-CE1 3.71Å; Y173-F721 AromaticContact CD2-CZ 3.78Å; Y173-F721 HydrophobicContact CD2-CZ 3.78Å; Y173-F721 HydrophobicContact CE1-CE1 4.47Å; Y173-F721 AromaticContact CE2-CE1 3.9Å; Y173-F721 HydrophobicContact CE2-CE1 3.9Å; Y173-F721 HydrophobicContact CE2-CZ 4.16Å; Y173-F721 AromaticContact CG-CE1 3.92Å; Y173-F721 HydrophobicContact CG-CE1 3.92Å; Y173-F721 HydrophobicContact CG-CZ 4.27Å; A707-F721 HydrophobicContact CB-CD1 3.73Å; A707-F721 HydrophobicContact CB-CE1 3.73Å; K719-F721 HydrophobicContact CD-CZ 4.5Å
722V89.2Confident77.3Confident43 Ų4364.7 Ų64.726%0.26134%0.338SS..EExtended strand (participates in β ladder)trans-117139.3-178.1-175.50000108.4R705 Y706R705-V722 WeakPolarHBondContact CA-O 3.4Å; Y706-V722 HydrophobicContact CD1-CB 4.37Å; Y706-V722 HydrophobicContact CD2-CB 4.25Å; Y706-V722 HydrophobicContact CE1-CB 3.96Å; Y706-V722 HydrophobicContact CE1-CG1 3.84Å; Y706-V722 HydrophobicContact CE2-CB 3.86Å; Y706-V722 HydrophobicContact CE2-CG1 4.3Å; Y706-V722 HydrophobicContact CE2-CG2 4.03Å; Y706-V722 PolarHBondContact N-O 2.7Å; Y706-V722 PolarHBondContact O-N 3.07Å
723R88.6Confident75.9Confident47 Ų4765.4 Ų65.418%0.17735%0.352CS..EExtended strand (participates in β ladder)trans-119.4138.3159.8-179.2171.9-175.8-131.94.8107.8R621 D622 D625 I703 R704 R705R621-R723 PolarHBondContact O-NH1 2.81Å; D622-R723 IonicContact OD1-CZ 2.7Å; D622-R723 VanDerWaalsContact OD1-CZ 3.32Å; D622-R723 IonicContact OD1-NH1 3.09Å; D622-R723 PolarHBondContact OD1-NH1 2.87Å; D622-R723 IonicContact OD1-NH2 3.22Å; D622-R723 PolarHBondContact OD1-NH2 2.96Å; D625-R723 WeakPolarHBondContact OD2-CD 3.23Å; D625-R723 WeakPolarHBondContact OD2-CG 3.35Å; D625-R723 IonicContact OD2-CZ 3.32Å; D625-R723 VanDerWaalsContact OD2-CZ 3.26Å; D625-R723 IonicContact OD2-NE 2.73Å; D625-R723 PolarHBondContact OD2-NE 2.81Å; D625-R723 IonicContact OD2-NH1 3.25Å; D625-R723 PolarHBondContact OD2-NH1 3.44Å; I703-R723 VanDerWaalsContact CG2-NE 3.28Å; I703-R723 VanDerWaalsContact CG2-NH2 3.31Å; R704-R723 WeakPolarHBondContact O-CA 3.14Å; R705-R723 HydrophobicContact CG-CB 4.22Å; R705-R723 HydrophobicContact CG-CG 3.94Å
724Q86.1Confident75.2Confident38 Ų3862.8 Ų62.818%0.17833%0.334CS..EExtended strand (participates in β ladder)trans-139.2140.7179-169.1170.4-4400107.1R704 D726R704-Q724 PolarHBondContact N-O 3.05Å; R704-Q724 PolarHBondContact O-N 3.19Å; Q724-D726 WeakPolarHBondContact CG-OD2 3.42Å; Q724-D726 VanDerWaalsContact NE2-CG 3.32Å; Q724-D726 PolarHBondContact NE2-OD1 3.14Å; Q724-D726 VanDerWaalsContact NE2-OD1 3.09Å; Q724-D726 PolarHBondContact NE2-OD2 3.08Å
725A86.4Confident75.1Confident1 Ų162.3 Ų62.31%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-118.8121.9167.200000107.7D625 R632 T702 I703D625-A725 HydrophobicContact CB-CB 3.73Å; R632-A725 PolarHBondContact NH2-O 3.49Å; T702-A725 CarbonylContact O-C 3.58Å; T702-A725 VanDerWaalsContact O-CA 3.23Å; T702-A725 WeakPolarHBondContact O-CA 3.26Å; I703-A725 HydrophobicContact CG1-CB 4.04Å
726D84.1Confident75.6Confident29 Ų2963.2 Ų63.216%0.15534%0.341CS..EExtended strand (participates in β ladder)trans-119.7154.7179.4-61.5-57.2000109.3R632 F701 T702 Q724R632-D726 IonicContact CZ-OD1 2.65Å; R632-D726 IonicContact NH1-OD1 2.64Å; R632-D726 PolarHBondContact NH1-OD1 3.44Å; R632-D726 IonicContact NH2-OD1 2.89Å; R632-D726 PolarHBondContact NH2-OD1 2.99Å; F701-D726 CarbonylContact C-O 3.55Å; T702-D726 PolarHBondContact N-O 3.41Å; T702-D726 PolarHBondContact O-N 2.94Å; T702-D726 PolarHBondContact OG1-O 3.38Å; Q724-D726 WeakPolarHBondContact CG-OD2 3.42Å; Q724-D726 VanDerWaalsContact NE2-CG 3.32Å; Q724-D726 PolarHBondContact NE2-OD1 3.14Å; Q724-D726 VanDerWaalsContact NE2-OD1 3.09Å; Q724-D726 PolarHBondContact NE2-OD2 3.08Å
727F83.5Confident75.9Confident54 Ų5462.2 Ų62.224%0.23733%0.329CS..EExtended strand (participates in β ladder)trans-58.7148.6172.4-63.6-94000110.4A629 S633 V696 E699 F701 E729A629-F727 HydrophobicContact CB-CD2 4.35Å; A629-F727 HydrophobicContact CB-CE2 3.77Å; A629-F727 HydrophobicContact CB-CZ 4.21Å; S633-F727 WeakPolarHBondContact OG-CE2 3.49Å; V696-F727 HydrophobicContact CB-CE1 4.46Å; V696-F727 HydrophobicContact CG1-CE1 3.72Å; V696-F727 HydrophobicContact CG1-CZ 4.14Å; E699-F727 HydrophobicContact CG-CD1 4.49Å; F701-F727 AromaticContact CE1-CD1 3.74Å; F701-F727 HydrophobicContact CE1-CD1 3.74Å; F701-F727 HydrophobicContact CE1-CD2 4.39Å; F701-F727 AromaticContact CE1-CE1 3.51Å; F701-F727 HydrophobicContact CE1-CE1 3.51Å; F701-F727 HydrophobicContact CE1-CE2 4.18Å; F701-F727 HydrophobicContact CE1-CG 4.18Å; F701-F727 AromaticContact CE1-CZ 3.74Å; F701-F727 HydrophobicContact CE1-CZ 3.74Å; F701-F727 HydrophobicContact CZ-CD1 4.04Å; F701-F727 AromaticContact CZ-CE1 3.59Å; F701-F727 HydrophobicContact CZ-CE1 3.59Å; F701-F727 HydrophobicContact CZ-CZ 4.08Å; F727-E729 PolarHBondContact O-N 2.79Å; F727-E729 VanDerWaalsContact O-N 3.09Å
728L75.5Confident76Confident65 Ų6563 Ų6334%0.3433%0.33SS..  trans-7593.3173.9-178.563.7000109.6L700 T702L700-L728 HydrophobicContact CB-CB 4.04Å; L700-L728 HydrophobicContact CB-CD2 3.88Å; L700-L728 HydrophobicContact CD1-CD2 3.87Å; L700-L728 WeakPolarHBondContact O-CB 3.49Å; L700-L728 PolarHBondContact O-N 3.2Å; T702-L728 HydrophobicContact CG2-CB 4.18Å; T702-L728 HydrophobicContact CG2-CD1 3.57Å; T702-L728 HydrophobicContact CG2-CG 4.47Å
729E65.9Low76Confident112 Ų11262.7 Ų62.752%0.52333%0.334SS..  trans-71.5127.3170.8-64174.6-171.700110.4F727 N731F727-E729 PolarHBondContact O-N 2.79Å; F727-E729 VanDerWaalsContact O-N 3.09Å; E729-N731 PolarHBondContact O-N 2.78Å
730D51.6Low75.8Confident162 Ų16260 Ų6087%0.86632%0.323SS*.SBendtrans-56-18.2176.3-59.8-55.9000114.2M732D730-M732 PolarHBondContact O-N 3.18Å
731N52Low75.7Confident118 Ų11858.3 Ų58.363%0.63131%0.309SS*.  trans-65.292.8174.6-76.5-65.8000111E729 G733 S734E729-N731 PolarHBondContact O-N 2.78Å; N731-G733 PolarHBondContact O-N 3.23Å; N731-S734 WeakPolarHBondContact O-CB 3.37Å; N731-S734 PolarHBondContact O-N 3.03Å; N731-S734 PolarHBondContact O-OG 3.01Å; N731-S734 VanDerWaalsContact O-OG 3.07Å
732M49.2Very low75.6Confident159 Ų15957.2 Ų57.278%0.78331%0.306SS*.THydrogen-bonded Turntrans-48.5-14.9179.1-156.661.7151.600115.9D730D730-M732 PolarHBondContact O-N 3.18Å
733G50.3Low75.4Confident43 Ų4357.6 Ų57.644%0.44331%0.31SS..THydrogen-bonded Turntrans-67.9-32.6168.400000114.6N731 N736 G739N731-G733 PolarHBondContact O-N 3.23Å; G733-N736 PolarHBondContact O-ND2 3.45Å; G733-G739 VanDerWaalsContact O-CA 3.32Å; G733-G739 WeakPolarHBondContact O-CA 3.41Å
734S56.4Low75.2Confident29 Ų2956 Ų5620%0.20331%0.305CS..THydrogen-bonded Turntrans-68.6-32.9-175.675.40000112.8R704 N731 N736R704-S734 PolarHBondContact NH2-O 3.04Å; N731-S734 WeakPolarHBondContact O-CB 3.37Å; N731-S734 PolarHBondContact O-N 3.03Å; N731-S734 PolarHBondContact O-OG 3.01Å; N731-S734 VanDerWaalsContact O-OG 3.07Å; S734-N736 PolarHBondContact O-N 3.36Å
735T67.1Low75.3Confident48 Ų4854.6 Ų54.629%0.29430%0.299SS..THydrogen-bonded Turntrans-61.2-40.7-172.8-35.30000112.1R704 F760R704-T735 PolarHBondContact NH1-O 2.76Å; R704-T735 PolarHBondContact NH2-O 3.35Å; T735-F760 HydrophobicContact CG2-CE1 4.16Å; T735-F760 HydrophobicContact CG2-CZ 3.9Å
736N80.2Confident75.2Confident54 Ų5463.8 Ų63.829%0.28934%0.339SS..SBendtrans-84154.5179.97077.2000113G733 S734 K738 G739 F740G733-N736 PolarHBondContact O-ND2 3.45Å; S734-N736 PolarHBondContact O-N 3.36Å; N736-K738 PolarHBondContact O-N 2.91Å; N736-K738 VanDerWaalsContact O-N 3.15Å; N736-K738 WeakPolarHBondContact OD1-CA 3.39Å; N736-K738 VanDerWaalsContact OD1-CB 3.3Å; N736-K738 WeakPolarHBondContact OD1-CB 3.43Å; N736-K738 PolarHBondContact OD1-N 2.77Å; N736-G739 PolarHBondContact O-N 3.08Å; N736-G739 PolarHBondContact OD1-N 2.83Å; N736-F740 PolarHBondContact O-N 2.95Å; N736-F740 VanDerWaalsContact O-N 3.17Å
737M85.9Confident74.8Confident7 Ų766.9 Ų66.93%0.03436%0.355CS..Hα-helixtrans-58.8-28-178.9175.655.26300113.7F165 F740 L741 L755 E757F165-M737 HydrophobicContact CB-CG 3.57Å; F165-M737 HydrophobicContact CB-SD 4.36Å; F165-M737 HydrophobicContact CD1-CG 4.06Å; F165-M737 HydrophobicContact CD2-CB 4.01Å; F165-M737 HydrophobicContact CD2-CG 3.51Å; F165-M737 HydrophobicContact CE2-CB 4.17Å; F165-M737 HydrophobicContact CE2-CG 4.16Å; F165-M737 HydrophobicContact CG-CB 4.31Å; F165-M737 HydrophobicContact CG-CG 3.44Å; F165-M737 VanDerWaalsContact CG-CG 3.44Å; M737-F740 HydrophobicContact CE-CD1 4.29Å; M737-F740 HydrophobicContact SD-CD1 4.03Å; M737-L741 WeakPolarHBondContact O-CB 3.49Å; M737-L741 PolarHBondContact O-N 3.03Å; M737-L755 HydrophobicContact SD-CB 4.11Å; M737-L755 HydrophobicContact SD-CD1 3.76Å; M737-E757 HydrophobicContact CE-CB 3.86Å; M737-E757 HydrophobicContact CE-CG 3.48Å; M737-E757 VanDerWaalsContact CE-CG 3.48Å; M737-E757 WeakPolarHBondContact CE-OE1 3.3Å
738K87.1Confident74Confident72 Ų7267.9 Ų67.931%0.31337%0.373SS..Hα-helixtrans-68.8-48.7179.4-174.7170.2-177.91750111.3V159 F165 N736 L741 M742V159-K738 HydrophobicContact CG1-CG 4.43Å; V159-K738 HydrophobicContact CG2-CG 4.01Å; F165-K738 HydrophobicContact CE1-CB 3.79Å; F165-K738 HydrophobicContact CE1-CG 4.32Å; F165-K738 HydrophobicContact CZ-CB 4.17Å; N736-K738 PolarHBondContact O-N 2.91Å; N736-K738 VanDerWaalsContact O-N 3.15Å; N736-K738 WeakPolarHBondContact OD1-CA 3.39Å; N736-K738 VanDerWaalsContact OD1-CB 3.3Å; N736-K738 WeakPolarHBondContact OD1-CB 3.43Å; N736-K738 PolarHBondContact OD1-N 2.77Å; K738-L741 PolarHBondContact O-N 2.83Å; K738-M742 WeakPolarHBondContact O-CG 3.48Å; K738-M742 PolarHBondContact O-N 2.67Å
739G85.8Confident73.7Confident19 Ų1971.2 Ų71.220%0.19639%0.385CS..Hα-helixtrans-68-40177.700000113G733 N736 L741 M742 S743G733-G739 VanDerWaalsContact O-CA 3.32Å; G733-G739 WeakPolarHBondContact O-CA 3.41Å; N736-G739 PolarHBondContact O-N 3.08Å; N736-G739 PolarHBondContact OD1-N 2.83Å; G739-L741 VanDerWaalsContact C-N 3.3Å; G739-L741 PolarHBondContact O-N 2.75Å; G739-M742 WeakPolarHBondContact O-CB 3.23Å; G739-M742 PolarHBondContact O-N 3.3Å; G739-M742 VanDerWaalsContact O-N 3.09Å; G739-S743 PolarHBondContact O-N 2.56Å
740F86.3Confident74.5Confident10 Ų1066.1 Ų66.14%0.04436%0.361CS..Hα-helixtrans-56.2-42.4170.9179.3-102.6000112.6Y706 N736 M737 S743 L744Y706-F740 HydrophobicContact CD1-CE1 4.13Å; Y706-F740 HydrophobicContact CD1-CZ 4.44Å; Y706-F740 AromaticContact CE1-CE1 3.63Å; Y706-F740 HydrophobicContact CE1-CE1 3.63Å; Y706-F740 AromaticContact CE1-CZ 3.67Å; Y706-F740 HydrophobicContact CE1-CZ 3.67Å; Y706-F740 AromaticContact CZ-CE1 3.89Å; N736-F740 PolarHBondContact O-N 2.95Å; N736-F740 VanDerWaalsContact O-N 3.17Å; M737-F740 HydrophobicContact CE-CD1 4.29Å; M737-F740 HydrophobicContact SD-CD1 4.03Å; F740-S743 PolarHBondContact O-N 2.99Å; F740-S743 PolarHBondContact O-OG 3.22Å; F740-S743 VanDerWaalsContact O-OG 3.09Å; F740-L744 HydrophobicContact CD1-CD1 4.05Å; F740-L744 HydrophobicContact CE1-CD1 3.48Å; F740-L744 VanDerWaalsContact CE1-CD1 3.48Å; F740-L744 HydrophobicContact CE1-CG 4.29Å; F740-L744 HydrophobicContact CZ-CD1 3.76Å; F740-L744 HydrophobicContact CZ-CG 4.28Å; F740-L744 WeakPolarHBondContact O-CG 3.34Å; F740-L744 PolarHBondContact O-N 2.91Å
741L88.1Confident76.1Confident0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-74.3-23.9177.1-17550.7000113.2V159 C163 F165 M737 K738 G739 Q745 L750 L755V159-L741 HydrophobicContact CB-CB 4.44Å; V159-L741 HydrophobicContact CB-CD2 3.86Å; V159-L741 HydrophobicContact CB-CG 3.92Å; V159-L741 HydrophobicContact CG1-CB 4.04Å; V159-L741 HydrophobicContact CG1-CD2 4.36Å; V159-L741 HydrophobicContact CG1-CG 3.89Å; V159-L741 HydrophobicContact CG2-CB 4.44Å; V159-L741 HydrophobicContact CG2-CD2 3.77Å; V159-L741 HydrophobicContact CG2-CG 4.21Å; C163-L741 HydrophobicContact CB-CD1 3.75Å; C163-L741 HydrophobicContact CB-CD2 3.86Å; C163-L741 HydrophobicContact CB-CG 3.99Å; F165-L741 HydrophobicContact CB-CD2 4.24Å; F165-L741 HydrophobicContact CD1-CD2 4.43Å; M737-L741 WeakPolarHBondContact O-CB 3.49Å; M737-L741 PolarHBondContact O-N 3.03Å; K738-L741 PolarHBondContact O-N 2.83Å; G739-L741 VanDerWaalsContact C-N 3.3Å; G739-L741 PolarHBondContact O-N 2.75Å; L741-Q745 WeakPolarHBondContact O-CB 3.5Å; L741-Q745 PolarHBondContact O-N 2.56Å; L741-Q745 PolarHBondContact O-NE2 3.28Å; L741-L750 HydrophobicContact CD1-CD2 3.44Å; L741-L750 VanDerWaalsContact CD1-CD2 3.44Å; L741-L750 HydrophobicContact CD1-CG 4.29Å; L741-L755 HydrophobicContact CD1-CD1 3.85Å; L741-L755 HydrophobicContact CD1-CG 4.15Å; L741-L755 HydrophobicContact CD2-CD1 4.4Å; L741-L755 HydrophobicContact CD2-CG 4.33Å
742M87.6Confident77.9Confident92 Ų9259.5 Ų59.545%0.45332%0.321SS..Hα-helixtrans-70-45.8167.5-70.4-65.1-6500111.5V159 K738 G739 L744 Q745 K746V159-M742 HydrophobicContact CG1-CG 3.68Å; V159-M742 HydrophobicContact CG1-SD 3.44Å; V159-M742 WeakPolarHBondContact CG1-SD 3.46Å; K738-M742 WeakPolarHBondContact O-CG 3.48Å; K738-M742 PolarHBondContact O-N 2.67Å; G739-M742 WeakPolarHBondContact O-CB 3.23Å; G739-M742 PolarHBondContact O-N 3.3Å; G739-M742 VanDerWaalsContact O-N 3.09Å; M742-L744 PolarHBondContact O-N 3.41Å; M742-Q745 PolarHBondContact O-N 2.75Å; M742-K746 PolarHBondContact O-N 2.86Å
743S84.8Confident80Confident50 Ų5052 Ų5235%0.3528%0.284SS..Hα-helixtrans-67.8-35.7-179.174.60000112.2G739 F740 Q745 N747G739-S743 PolarHBondContact O-N 2.56Å; F740-S743 PolarHBondContact O-N 2.99Å; F740-S743 PolarHBondContact O-OG 3.22Å; F740-S743 VanDerWaalsContact O-OG 3.09Å; S743-Q745 VanDerWaalsContact C-N 3.34Å; S743-Q745 PolarHBondContact O-N 2.97Å; S743-N747 WeakPolarHBondContact O-CB 3.35Å; S743-N747 PolarHBondContact O-N 3.44Å; S743-N747 VanDerWaalsContact O-N 3.16Å; S743-N747 PolarHBondContact O-ND2 3.45Å
744L84.7Confident82.2Confident13 Ų1349.9 Ų49.97%0.06826%0.263CS..Hα-helixtrans-63.8-35.6170.8-73-177.6000113.2F740 M742 K749 L750F740-L744 HydrophobicContact CD1-CD1 4.05Å; F740-L744 HydrophobicContact CE1-CD1 3.48Å; F740-L744 VanDerWaalsContact CE1-CD1 3.48Å; F740-L744 HydrophobicContact CE1-CG 4.29Å; F740-L744 HydrophobicContact CZ-CD1 3.76Å; F740-L744 HydrophobicContact CZ-CG 4.28Å; F740-L744 WeakPolarHBondContact O-CG 3.34Å; F740-L744 PolarHBondContact O-N 2.91Å; M742-L744 PolarHBondContact O-N 3.41Å; L744-K749 HydrophobicContact CD2-CB 4.31Å; L744-K749 HydrophobicContact CD2-CD 4.33Å; L744-K749 PolarHBondContact O-N 2.95Å; L744-L750 HydrophobicContact CB-CB 4.07Å; L744-L750 HydrophobicContact CB-CD2 4.35Å; L744-L750 HydrophobicContact CD1-CD2 3.81Å
745Q88.2Confident84Confident10 Ų1048.5 Ų48.55%0.04725%0.253CS..Hα-helixtrans-75.3-41.2175.8-83.7177.9116.100112.5V159 P160 S162 C163 L741 M742 S743 N747 A748 L750V159-Q745 PolarHBondContact O-NE2 2.67Å; V159-Q745 PolarHBondContact O-OE1 2.95Å; P160-Q745 PolarHBondContact O-NE2 3.11Å; S162-Q745 PolarHBondContact OG-OE1 3.44Å; C163-Q745 PolarHBondContact SG-OE1 3.42Å; L741-Q745 WeakPolarHBondContact O-CB 3.5Å; L741-Q745 PolarHBondContact O-N 2.56Å; L741-Q745 PolarHBondContact O-NE2 3.28Å; M742-Q745 PolarHBondContact O-N 2.75Å; S743-Q745 VanDerWaalsContact C-N 3.34Å; S743-Q745 PolarHBondContact O-N 2.97Å; Q745-N747 PolarHBondContact O-N 3.1Å; Q745-A748 PolarHBondContact O-N 3.16Å; Q745-L750 WeakPolarHBondContact CG-O 3.47Å
746K84.3Confident85.3Confident193 Ų19346.2 Ų46.284%0.83924%0.239SC*.Hα-helixtrans-57-38.1174.4-174.4-179.5178.7-175.90111.6M742 A748M742-K746 PolarHBondContact O-N 2.86Å; K746-A748 VanDerWaalsContact C-N 3.28Å; K746-A748 PolarHBondContact O-N 2.95Å
747N76.8Confident85.8Confident94 Ų9443.9 Ų43.950%0.50323%0.226SC..THydrogen-bonded Turntrans-82.38.1177.7-74.7-65.7000114.6S743 Q745 K749S743-N747 WeakPolarHBondContact O-CB 3.35Å; S743-N747 PolarHBondContact O-N 3.44Å; S743-N747 VanDerWaalsContact O-N 3.16Å; S743-N747 PolarHBondContact O-ND2 3.45Å; Q745-N747 PolarHBondContact O-N 3.1Å; N747-K749 HydrophobicContact CB-CD 3.72Å; N747-K749 HydrophobicContact CB-CG 4.03Å; N747-K749 PolarHBondContact O-N 2.84Å
748A66.2Low85.9Confident75 Ų7546.3 Ų46.362%0.6224%0.238SC*.THydrogen-bonded Turntrans5515.4-175.400000115.9Q745 K746Q745-A748 PolarHBondContact O-N 3.16Å; K746-A748 VanDerWaalsContact C-N 3.28Å; K746-A748 PolarHBondContact O-N 2.95Å
749K69.5Low85.8Confident135 Ų13546.2 Ų46.259%0.58724%0.238SC*.SBendtrans-78.2-19.5-175.3-72.2164.8-175164.40112.8L744 N747L744-K749 HydrophobicContact CD2-CB 4.31Å; L744-K749 HydrophobicContact CD2-CD 4.33Å; L744-K749 PolarHBondContact O-N 2.95Å; N747-K749 HydrophobicContact CB-CD 3.72Å; N747-K749 HydrophobicContact CB-CG 4.03Å; N747-K749 PolarHBondContact O-N 2.84Å
750L82.3Confident85.6Confident5 Ų546.8 Ų46.83%0.02624%0.235CC..  trans-153120.9-172.3-178.461.7000111.8K708 L741 L744 Q745 A753 L755K708-L750 HydrophobicContact CD-CD1 3.61Å; K708-L750 HydrophobicContact CG-CD1 4.12Å; K708-L750 VanDerWaalsContact NZ-CD1 3.3Å; L741-L750 HydrophobicContact CD1-CD2 3.44Å; L741-L750 VanDerWaalsContact CD1-CD2 3.44Å; L741-L750 HydrophobicContact CD1-CG 4.29Å; L744-L750 HydrophobicContact CB-CB 4.07Å; L744-L750 HydrophobicContact CB-CD2 4.35Å; L744-L750 HydrophobicContact CD1-CD2 3.81Å; Q745-L750 WeakPolarHBondContact CG-O 3.47Å; L750-A753 HydrophobicContact CD1-CB 3.62Å; L750-A753 HydrophobicContact CG-CB 4.31Å; L750-L755 HydrophobicContact CD2-CD1 3.86Å; L750-L755 HydrophobicContact CD2-CD2 3.85Å; L750-L755 HydrophobicContact CD2-CG 4.05Å
751H85.3Confident85.3Confident75 Ų7547.7 Ų47.735%0.34724%0.243SC..  trans-139.1159.1171.9-69.2-75.3000111S162 A753S162-H751 WeakPolarHBondContact OG-CA 3.32Å; S162-H751 WeakPolarHBondContact OG-CB 3.42Å; S162-H751 PolarHBondContact OG-ND1 3.02Å; H751-A753 PolarHBondContact O-N 2.86Å
752H90.8Very high84.5Confident67 Ų6749.8 Ų49.831%0.3126%0.257SS..SBendtrans50.247175.9-46.9-74.5000114.4D5 T8 V9 S162D5-H752 IonicContact OD2-CE1 3.27Å; D5-H752 PolarHBondContact OD2-CE1 3.3Å; D5-H752 IonicContact OD2-ND1 2.66Å; D5-H752 PolarHBondContact OD2-ND1 3.1Å; T8-H752 HydrophobicContact CG2-CB 3.8Å; V9-H752 HydrophobicContact CG2-CB 4.37Å; S162-H752 WeakPolarHBondContact O-CA 3.46Å; S162-H752 PolarHBondContact O-N 3.26Å; S162-H752 PolarHBondContact OG-N 3.45Å
753A93.2Very high84Confident0 Ų050.4 Ų50.40%026%0.262CS..EExtended strand (participates in β ladder)trans-132.4154.9-174.100000113.7C163 V164 K708 I709 L750 H751C163-A753 WeakPolarHBondContact CA-O 3.23Å; C163-A753 WeakPolarHBondContact CB-O 3.49Å; V164-A753 PolarHBondContact N-O 3.48Å; K708-A753 HydrophobicContact CG-CB 4.32Å; I709-A753 VanDerWaalsContact O-CA 3.31Å; I709-A753 WeakPolarHBondContact O-CA 3.48Å; I709-A753 WeakPolarHBondContact O-CB 3.31Å; L750-A753 HydrophobicContact CD1-CB 3.62Å; L750-A753 HydrophobicContact CG-CB 4.31Å; H751-A753 PolarHBondContact O-N 2.86Å
754I94.8Very high83.9Confident0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-99.9129.1164.5-52.8175.5000107.8V9 I12 L13 L16 F156 V164 I709 V756V9-I754 HydrophobicContact CG1-CG1 3.78Å; I12-I754 HydrophobicContact CB-CD1 4.28Å; I12-I754 HydrophobicContact CG2-CD1 3.5Å; I12-I754 HydrophobicContact CG2-CG1 4.24Å; L13-I754 HydrophobicContact CD2-CD1 3.57Å; L13-I754 HydrophobicContact CG-CD1 4.01Å; L16-I754 HydrophobicContact CD1-CD1 4.45Å; F156-I754 HydrophobicContact CD1-CG2 3.94Å; F156-I754 HydrophobicContact CE1-CG2 3.76Å; V164-I754 HydrophobicContact CG2-CB 4.08Å; V164-I754 HydrophobicContact CG2-CG1 3.74Å; V164-I754 HydrophobicContact CG2-CG2 3.95Å; V164-I754 CarbonylContact O-C 3.2Å; V164-I754 WeakPolarHBondContact O-CA 3.3Å; I709-I754 HydrophobicContact CB-CB 4.18Å; I709-I754 HydrophobicContact CD1-CB 4.47Å; I709-I754 HydrophobicContact CD1-CG2 4.43Å; I709-I754 PolarHBondContact N-O 2.95Å; I709-I754 PolarHBondContact O-N 3.07Å; I754-V756 HydrophobicContact CG2-CG2 4.33Å
755L95Very high84Confident0 Ų054.2 Ų54.20%027%0.269CS..EExtended strand (participates in β ladder)trans-100.6145.9165.5-61.9-161.5000111.8V164 F165 Q166 Y706 A707 K708 M737 L741 L750V164-L755 PolarHBondContact O-N 2.93Å; F165-L755 CarbonylContact C-O 3.58Å; F165-L755 WeakPolarHBondContact CA-O 2.87Å; F165-L755 HydrophobicContact CB-CB 4.24Å; Q166-L755 PolarHBondContact N-O 3.18Å; Y706-L755 HydrophobicContact CD2-CD1 3.95Å; Y706-L755 HydrophobicContact CD2-CD2 3.81Å; Y706-L755 HydrophobicContact CD2-CG 4.36Å; Y706-L755 HydrophobicContact CE2-CD1 3.97Å; Y706-L755 HydrophobicContact CE2-CD2 3.89Å; A707-L755 CarbonylContact O-C 3.6Å; A707-L755 WeakPolarHBondContact O-CA 3.28Å; K708-L755 HydrophobicContact CB-CD2 3.88Å; K708-L755 HydrophobicContact CG-CD2 4.1Å; M737-L755 HydrophobicContact SD-CB 4.11Å; M737-L755 HydrophobicContact SD-CD1 3.76Å; L741-L755 HydrophobicContact CD1-CD1 3.85Å; L741-L755 HydrophobicContact CD1-CG 4.15Å; L741-L755 HydrophobicContact CD2-CD1 4.4Å; L741-L755 HydrophobicContact CD2-CG 4.33Å; L750-L755 HydrophobicContact CD2-CD1 3.86Å; L750-L755 HydrophobicContact CD2-CD2 3.85Å; L750-L755 HydrophobicContact CD2-CG 4.05Å
756V93.5Very high84Confident0 Ų053.7 Ų53.70%027%0.267CS..EExtended strand (participates in β ladder)trans-133.7115.4171.8-173.30000108.1V95 Q166 P171 A172 Y173 Y706 A707 I709 I754V95-V756 HydrophobicContact CG1-CG1 4.08Å; V95-V756 HydrophobicContact CG2-CG1 3.57Å; Q166-V756 HydrophobicContact CB-CB 4.5Å; Q166-V756 HydrophobicContact CB-CG1 4.27Å; Q166-V756 HydrophobicContact CB-CG2 3.99Å; P171-V756 HydrophobicContact CB-CG1 4.3Å; A172-V756 HydrophobicContact CB-CG2 4.17Å; Y173-V756 HydrophobicContact CD1-CB 3.87Å; Y173-V756 HydrophobicContact CD1-CG1 3.92Å; Y173-V756 HydrophobicContact CD1-CG2 4.17Å; Y173-V756 HydrophobicContact CE1-CB 4.13Å; Y173-V756 HydrophobicContact CE1-CG1 3.77Å; Y706-V756 CarbonylContact C-O 3.58Å; Y706-V756 VanDerWaalsContact CA-O 3.28Å; Y706-V756 WeakPolarHBondContact CA-O 3.43Å; Y706-V756 WeakPolarHBondContact CB-O 3.29Å; A707-V756 HydrophobicContact CB-CB 4.34Å; A707-V756 PolarHBondContact N-O 2.77Å; A707-V756 PolarHBondContact O-N 2.83Å; I709-V756 HydrophobicContact CD1-CG2 4.26Å; I754-V756 HydrophobicContact CG2-CG2 4.33Å
757E90.9Very high84.3Confident4 Ų449.1 Ų49.12%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-73.7146.4180-140.1173.4-147.300111.4H98 Q123 R704 M737H98-E757 PolarHBondContact ND1-O 3.44Å; Q123-E757 VanDerWaalsContact CB-OE2 3.31Å; Q123-E757 WeakPolarHBondContact CB-OE2 3.21Å; Q123-E757 VanDerWaalsContact NE2-CD 3.35Å; Q123-E757 VanDerWaalsContact NE2-CG 3.27Å; Q123-E757 PolarHBondContact NE2-OE2 2.95Å; R704-E757 WeakPolarHBondContact CD-OE1 3.22Å; R704-E757 HydrophobicContact CG-CG 4.35Å; R704-E757 VanDerWaalsContact CG-OE1 3.23Å; R704-E757 WeakPolarHBondContact CG-OE1 3.16Å; R704-E757 IonicContact CZ-OE1 3.47Å; R704-E757 IonicContact NE-OE1 2.7Å; R704-E757 IonicContact NH1-OE1 3.39Å; R704-E757 PolarHBondContact NH1-OE1 2.82Å; M737-E757 HydrophobicContact CE-CB 3.86Å; M737-E757 HydrophobicContact CE-CG 3.48Å; M737-E757 VanDerWaalsContact CE-CG 3.48Å; M737-E757 WeakPolarHBondContact CE-OE1 3.3Å
758Q88.4Confident85Confident58 Ų5847.6 Ų47.627%0.27124%0.236SC..EExtended strand (participates in β ladder)trans-126.5-32.2-175.1-59.9-175.2-68.300112.9Y173 R705Y173-Q758 HydrophobicContact CE1-CG 4.14Å; Y173-Q758 VanDerWaalsContact CZ-NE2 3.35Å; Y173-Q758 PolarHBondContact OH-NE2 2.83Å; Y173-Q758 VanDerWaalsContact OH-NE2 3.17Å; R705-Q758 HydrophobicContact CB-CB 4.38Å; R705-Q758 WeakPolarHBondContact O-CB 3.34Å; R705-Q758 PolarHBondContact O-N 2.81Å
759H84.5Confident86.2Confident70 Ų7044.1 Ų44.132%0.32421%0.208SC..EExtended strand (participates in β ladder)trans-166.1144.6176.4172.466000109.9Q123 R705Q123-H759 VanDerWaalsContact NE2-CA 3.28Å; R705-H759 HydrophobicContact CB-CB 4.17Å; R705-H759 HydrophobicContact CG-CB 4.38Å; R705-H759 PolarHBondContact N-O 2.84Å; R705-H759 PolarHBondContact O-N 2.86Å
760F82.3Confident87.2Confident31 Ų3139 Ų3914%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-135147.2172.7-177.7-98.6000108.2Q123 T702 I703 R704 T735Q123-F760 HydrophobicContact CG-CB 3.87Å; T702-F760 HydrophobicContact CG2-CE2 4.41Å; T702-F760 HydrophobicContact CG2-CZ 4.02Å; I703-F760 VanDerWaalsContact O-CA 3.31Å; I703-F760 WeakPolarHBondContact O-CA 3.28Å; R704-F760 HydrophobicContact CB-CD2 4.38Å; R704-F760 HydrophobicContact CG-CD2 4.21Å; T735-F760 HydrophobicContact CG2-CE1 4.16Å; T735-F760 HydrophobicContact CG2-CZ 3.9Å
761C79.6Confident87.7Confident30 Ų3043.6 Ų43.620%0.20321%0.21CC..EExtended strand (participates in β ladder)trans-158.4142.3-179.2163.10000107.5T702 I703 D763T702-C761 CarbonylContact C-O 3.57Å; T702-C761 WeakPolarHBondContact CA-O 3.49Å; I703-C761 HydrophobicContact CB-CB 4.38Å; I703-C761 PolarHBondContact N-O 3.35Å; I703-C761 PolarHBondContact O-N 2.95Å; I703-C761 VanDerWaalsContact O-N 3.12Å; C761-D763 PolarHBondContact SG-OD2 3.47Å
762S72.9Confident88Confident43 Ų4340.9 Ų40.930%0.30120%0.198SC..EExtended strand (participates in β ladder)trans-115.7-3.5-17228.50000113.5
763D75.6Confident88.2Confident105 Ų10537.8 Ų37.856%0.56118%0.183SC*.EExtended strand (participates in β ladder)trans-107.19.3-142.9-32.8-59.6000112.2C761C761-D763 PolarHBondContact SG-OD2 3.47Å
764L83Confident88.1Confident9 Ų940.1 Ų40.15%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-93.9116-176.8178.363.7000110.8D622 V626 F701 I703 E768D622-L764 HydrophobicContact CB-CD2 3.89Å; V626-L764 HydrophobicContact CG2-CD2 3.48Å; V626-L764 VanDerWaalsContact CG2-CD2 3.48Å; V626-L764 HydrophobicContact CG2-CG 4.21Å; F701-L764 HydrophobicContact CB-CB 4.49Å; F701-L764 PolarHBondContact N-O 2.8Å; I703-L764 HydrophobicContact CD1-CB 4.14Å; I703-L764 HydrophobicContact CD1-CD2 3.69Å; L764-E768 HydrophobicContact CD1-CB 4.29Å
765R87.6Confident87.9Confident134 Ų13446.1 Ų46.151%0.50623%0.226SC..EExtended strand (participates in β ladder)trans-88.2149.7172-61.9-179.2-173.9-149.41.1111.9E699 L700 K767 E768 A769E699-R765 WeakPolarHBondContact O-CA 3.32Å; L700-R765 HydrophobicContact CD2-CG 3.66Å; R765-K767 VanDerWaalsContact C-N 3.3Å; R765-K767 PolarHBondContact O-N 3.4Å; R765-E768 WeakPolarHBondContact O-CB 3.42Å; R765-E768 PolarHBondContact O-N 2.9Å; R765-A769 PolarHBondContact O-N 3.28Å
766G87.4Confident87.6Confident0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-64.4-32.1176.200000113.8V696 Q697 E699 E768 A769 S770V696-G766 VanDerWaalsContact O-CA 3.26Å; V696-G766 WeakPolarHBondContact O-CA 3.27Å; Q697-G766 PolarHBondContact O-N 2.9Å; E699-G766 PolarHBondContact O-N 2.93Å; G766-E768 VanDerWaalsContact C-N 3.29Å; G766-E768 PolarHBondContact O-N 3.46Å; G766-A769 WeakPolarHBondContact O-CB 3.33Å; G766-A769 PolarHBondContact O-N 3.07Å; G766-S770 PolarHBondContact O-N 2.87Å
767K91.2Very high87.4Confident96 Ų9647.1 Ų47.142%0.41723%0.231SC..Hα-helixtrans-56.6-41173.8-170.5170.2-169.5164.70112.1Q697 R765 S770 Q771Q697-K767 HydrophobicContact CB-CB 4.26Å; Q697-K767 VanDerWaalsContact O-CB 3.29Å; Q697-K767 WeakPolarHBondContact O-CB 3.34Å; Q697-K767 PolarHBondContact O-N 3.4Å; R765-K767 VanDerWaalsContact C-N 3.3Å; R765-K767 PolarHBondContact O-N 3.4Å; K767-S770 PolarHBondContact O-N 3.02Å; K767-Q771 WeakPolarHBondContact O-CB 3.45Å; K767-Q771 VanDerWaalsContact O-CG 3.32Å; K767-Q771 WeakPolarHBondContact O-CG 3.22Å; K767-Q771 PolarHBondContact O-N 3.09Å
768E90.6Very high87.2Confident62 Ų6250.4 Ų50.429%0.2925%0.251SS..Hα-helixtrans-67.9-33.9175.4-89.2-166.2-103.100113.4R619 L764 R765 G766 F772R619-E768 IonicContact CZ-OE2 3.42Å; R619-E768 IonicContact NH1-OE2 2.74Å; R619-E768 PolarHBondContact NH1-OE2 3.33Å; R619-E768 PolarHBondContact NH2-O 3.47Å; R619-E768 IonicContact NH2-OE2 3.21Å; R619-E768 PolarHBondContact NH2-OE2 3.28Å; L764-E768 HydrophobicContact CD1-CB 4.29Å; R765-E768 WeakPolarHBondContact O-CB 3.42Å; R765-E768 PolarHBondContact O-N 2.9Å; G766-E768 VanDerWaalsContact C-N 3.29Å; G766-E768 PolarHBondContact O-N 3.46Å; E768-F772 VanDerWaalsContact O-CB 3.26Å; E768-F772 WeakPolarHBondContact O-CB 3.2Å; E768-F772 PolarHBondContact O-N 2.9Å
769A91.3Very high87Confident3 Ų349.2 Ų49.23%0.02526%0.255CS..Hα-helixtrans-70.2-40.7174.100000111.1L623 V626 R765 G766 F772 F773L623-A769 HydrophobicContact CD1-CB 4.17Å; V626-A769 HydrophobicContact CB-CB 4.39Å; V626-A769 HydrophobicContact CG1-CB 4.2Å; V626-A769 HydrophobicContact CG2-CB 4.38Å; R765-A769 PolarHBondContact O-N 3.28Å; G766-A769 WeakPolarHBondContact O-CB 3.33Å; G766-A769 PolarHBondContact O-N 3.07Å; A769-F772 PolarHBondContact O-N 3.38Å; A769-F773 WeakPolarHBondContact O-CB 3.22Å; A769-F773 PolarHBondContact O-N 3.41Å
770S91.6Very high87Confident26 Ų2646.7 Ų46.718%0.18225%0.245CC..Hα-helixtrans-62.6-51175.3-175.20000112G766 K767 F772 F773 T774G766-S770 PolarHBondContact O-N 2.87Å; K767-S770 PolarHBondContact O-N 3.02Å; S770-F772 VanDerWaalsContact C-N 3.34Å; S770-F772 PolarHBondContact O-N 2.88Å; S770-F773 WeakPolarHBondContact O-CB 3.26Å; S770-F773 PolarHBondContact O-N 3.25Å; S770-F773 VanDerWaalsContact O-N 3.16Å; S770-T774 PolarHBondContact O-N 3.21Å; S770-T774 VanDerWaalsContact O-N 3.11Å; S770-T774 PolarHBondContact O-OG1 2.93Å
771Q92.3Very high87.3Confident103 Ų10345.3 Ų45.348%0.48124%0.239SC..Hα-helixtrans-57.1-45.9175-73.2173.8-12.300112K767 F773 T774 Q775K767-Q771 WeakPolarHBondContact O-CB 3.45Å; K767-Q771 VanDerWaalsContact O-CG 3.32Å; K767-Q771 WeakPolarHBondContact O-CG 3.22Å; K767-Q771 PolarHBondContact O-N 3.09Å; Q771-F773 PolarHBondContact O-N 3.4Å; Q771-T774 PolarHBondContact O-N 3.49Å; Q771-Q775 VanDerWaalsContact O-CG 3.27Å; Q771-Q775 WeakPolarHBondContact O-CG 3.33Å; Q771-Q775 PolarHBondContact O-N 3.39Å
772F92.7Very high87.8Confident18 Ų1843.9 Ų43.98%0.07923%0.229CC..Hα-helixtrans-64.9-37.2177.5177.7-98000112.6F616 R619 V620 L623 E768 A769 S770 Q775 M776F616-F772 AromaticContact CD2-CE2 3.85Å; F616-F772 HydrophobicContact CD2-CE2 3.85Å; F616-F772 AromaticContact CD2-CZ 3.75Å; F616-F772 HydrophobicContact CD2-CZ 3.75Å; F616-F772 HydrophobicContact CE2-CE2 4.18Å; F616-F772 AromaticContact CE2-CZ 3.84Å; F616-F772 HydrophobicContact CE2-CZ 3.84Å; F616-F772 HydrophobicContact CG-CZ 4.41Å; R619-F772 VanDerWaalsContact C-CE1 3.45Å; R619-F772 HydrophobicContact CB-CD1 3.82Å; R619-F772 HydrophobicContact CB-CD2 3.65Å; R619-F772 HydrophobicContact CB-CE1 3.68Å; R619-F772 HydrophobicContact CB-CE2 3.49Å; R619-F772 VanDerWaalsContact CB-CE2 3.49Å; R619-F772 HydrophobicContact CB-CG 3.81Å; R619-F772 HydrophobicContact CB-CZ 3.52Å; R619-F772 HydrophobicContact CG-CD2 4.23Å; R619-F772 HydrophobicContact CG-CE2 4.27Å; V620-F772 HydrophobicContact CB-CE1 4.44Å; V620-F772 HydrophobicContact CG2-CE1 3.81Å; V620-F772 HydrophobicContact CG2-CZ 3.76Å; L623-F772 HydrophobicContact CB-CD1 4.37Å; L623-F772 HydrophobicContact CD2-CD1 4.34Å; E768-F772 VanDerWaalsContact O-CB 3.26Å; E768-F772 WeakPolarHBondContact O-CB 3.2Å; E768-F772 PolarHBondContact O-N 2.9Å; A769-F772 PolarHBondContact O-N 3.38Å; S770-F772 VanDerWaalsContact C-N 3.34Å; S770-F772 PolarHBondContact O-N 2.88Å; F772-Q775 PolarHBondContact O-N 3.03Å; F772-M776 HydrophobicContact CE1-CB 4.13Å; F772-M776 HydrophobicContact CE1-CG 4.46Å; F772-M776 HydrophobicContact CE1-SD 4.18Å; F772-M776 HydrophobicContact CZ-CB 4.17Å; F772-M776 HydrophobicContact CZ-CG 4.49Å; F772-M776 WeakPolarHBondContact O-CB 3.36Å; F772-M776 PolarHBondContact O-N 3.04Å
773F93.9Very high88.5Confident2 Ų244.6 Ų44.61%0.00923%0.228CC..Hα-helixtrans-60.6-49176.3167.6-109.3000111.7L623 L685 I686 I689 A769 S770 Q771 M776 L777 L805L623-F773 HydrophobicContact CD1-CB 3.99Å; L623-F773 HydrophobicContact CD2-CB 3.8Å; L623-F773 HydrophobicContact CD2-CD2 3.94Å; L623-F773 HydrophobicContact CD2-CG 4.32Å; L685-F773 HydrophobicContact CB-CZ 4.32Å; I686-F773 HydrophobicContact CG1-CE1 4.45Å; I689-F773 HydrophobicContact CB-CD1 3.97Å; I689-F773 HydrophobicContact CB-CE1 3.48Å; I689-F773 VanDerWaalsContact CB-CE1 3.48Å; I689-F773 HydrophobicContact CB-CZ 3.82Å; I689-F773 HydrophobicContact CG1-CE1 3.91Å; I689-F773 HydrophobicContact CG1-CE2 4.29Å; I689-F773 HydrophobicContact CG1-CZ 3.68Å; I689-F773 HydrophobicContact CG2-CD1 3.57Å; I689-F773 HydrophobicContact CG2-CD2 4.33Å; I689-F773 HydrophobicContact CG2-CE1 3.61Å; I689-F773 HydrophobicContact CG2-CE2 4.38Å; I689-F773 HydrophobicContact CG2-CG 3.94Å; I689-F773 HydrophobicContact CG2-CZ 4.03Å; A769-F773 WeakPolarHBondContact O-CB 3.22Å; A769-F773 PolarHBondContact O-N 3.41Å; S770-F773 WeakPolarHBondContact O-CB 3.26Å; S770-F773 PolarHBondContact O-N 3.25Å; S770-F773 VanDerWaalsContact O-N 3.16Å; Q771-F773 PolarHBondContact O-N 3.4Å; F773-M776 HydrophobicContact CD2-CE 3.79Å; F773-M776 HydrophobicContact CE2-CE 4.21Å; F773-M776 PolarHBondContact O-N 2.88Å; F773-L777 HydrophobicContact CZ-CD2 4.03Å; F773-L777 PolarHBondContact O-N 3.18Å; F773-L805 HydrophobicContact CD2-CD1 4.48Å; F773-L805 HydrophobicContact CD2-CD2 4.15Å; F773-L805 HydrophobicContact CE2-CD1 3.86Å; F773-L805 HydrophobicContact CE2-CD2 3.7Å; F773-L805 HydrophobicContact CE2-CG 4.42Å; F773-L805 HydrophobicContact CZ-CD2 4.42Å
774T92.1Very high89.1Confident49 Ų4941.1 Ų41.130%0.30121%0.207SC..Hα-helixtrans-60.9-47.3177.7-57.90000111I686 S770 Q771 M776 L777 T778I686-T774 HydrophobicContact CD1-CG2 4.43Å; S770-T774 PolarHBondContact O-N 3.21Å; S770-T774 VanDerWaalsContact O-N 3.11Å; S770-T774 PolarHBondContact O-OG1 2.93Å; Q771-T774 PolarHBondContact O-N 3.49Å; T774-M776 VanDerWaalsContact C-N 3.34Å; T774-M776 PolarHBondContact O-N 2.86Å; T774-L777 PolarHBondContact O-N 2.81Å; T774-T778 HydrophobicContact CG2-CG2 4.47Å; T774-T778 PolarHBondContact O-N 3.05Å; T774-T778 PolarHBondContact O-OG1 3.35Å; T774-T778 VanDerWaalsContact O-OG1 3.07Å
775Q89.4Confident89.1Confident126 Ų12643.4 Ų43.459%0.58923%0.233SC*.Hα-helixtrans-59.6-40175.6-71.1170.63.300113.2Q771 F772 L777 G779Q771-Q775 VanDerWaalsContact O-CG 3.27Å; Q771-Q775 WeakPolarHBondContact O-CG 3.33Å; Q771-Q775 PolarHBondContact O-N 3.39Å; F772-Q775 PolarHBondContact O-N 3.03Å; Q775-L777 VanDerWaalsContact C-N 3.32Å; Q775-G779 WeakPolarHBondContact O-CA 3.37Å; Q775-G779 PolarHBondContact O-N 2.87Å
776M89.9Confident88.9Confident17 Ų1746.9 Ų46.98%0.08425%0.251CS..Hα-helixtrans-65.7-36177.9178-166.26900111.7F616 V620 L623 F772 F773 T774 V801 L805F616-M776 HydrophobicContact CE2-CB 4.41Å; F616-M776 HydrophobicContact CE2-CG 4.11Å; F616-M776 HydrophobicContact CZ-CG 3.92Å; V620-M776 HydrophobicContact CG2-SD 3.86Å; L623-M776 HydrophobicContact CD2-CE 4.06Å; L623-M776 HydrophobicContact CD2-SD 4.47Å; F772-M776 HydrophobicContact CE1-CB 4.13Å; F772-M776 HydrophobicContact CE1-CG 4.46Å; F772-M776 HydrophobicContact CE1-SD 4.18Å; F772-M776 HydrophobicContact CZ-CB 4.17Å; F772-M776 HydrophobicContact CZ-CG 4.49Å; F772-M776 WeakPolarHBondContact O-CB 3.36Å; F772-M776 PolarHBondContact O-N 3.04Å; F773-M776 HydrophobicContact CD2-CE 3.79Å; F773-M776 HydrophobicContact CE2-CE 4.21Å; F773-M776 PolarHBondContact O-N 2.88Å; T774-M776 VanDerWaalsContact C-N 3.34Å; T774-M776 PolarHBondContact O-N 2.86Å; M776-V801 HydrophobicContact CE-CG1 4.1Å; M776-V801 HydrophobicContact SD-CG1 4.22Å; M776-L805 HydrophobicContact CE-CD1 4.21Å
777L89Confident88.9Confident4 Ų451.8 Ų51.82%0.02127%0.273CS..Hα-helixtrans-78.4-51.7-177.3-167.664.9000111.4H682 L685 I686 F773 T774 Q775 I795H682-L777 HydrophobicContact CB-CD2 4Å; H682-L777 HydrophobicContact CB-CG 4.3Å; H682-L777 PolarHBondContact CE1-O 3.41Å; L685-L777 HydrophobicContact CB-CD2 4.05Å; L685-L777 HydrophobicContact CD1-CD1 4.39Å; I686-L777 HydrophobicContact CD1-CD2 4.3Å; I686-L777 HydrophobicContact CG1-CD2 3.9Å; F773-L777 HydrophobicContact CZ-CD2 4.03Å; F773-L777 PolarHBondContact O-N 3.18Å; T774-L777 PolarHBondContact O-N 2.81Å; Q775-L777 VanDerWaalsContact C-N 3.32Å; L777-I795 HydrophobicContact CD1-CG2 3.98Å
778T86.3Confident88.9Confident72 Ų7248.3 Ų48.344%0.44226%0.26SS..Hα-helixtrans-75.5-25.4-178.962.40000113.1I686 T774 H790I686-T778 HydrophobicContact CD1-CG2 4.49Å; T774-T778 HydrophobicContact CG2-CG2 4.47Å; T774-T778 PolarHBondContact O-N 3.05Å; T774-T778 PolarHBondContact O-OG1 3.35Å; T774-T778 VanDerWaalsContact O-OG1 3.07Å; T778-H790 PolarHBondContact O-NE2 3.17Å
779G83.6Confident88.9Confident34 Ų3445.9 Ų45.935%0.35125%0.248SC..THydrogen-bonded Turntrans-90.214.5176.400000115.3Q775 V781Q775-G779 WeakPolarHBondContact O-CA 3.37Å; Q775-G779 PolarHBondContact O-N 2.87Å; G779-V781 PolarHBondContact O-N 3.33Å; G779-V781 VanDerWaalsContact O-N 3.16Å
780S85.1Confident88.9Confident16 Ų1648 Ų4811%0.11226%0.257CS..  trans-72.9104.8-175.4-171.10000112.2Q791S780-Q791 PolarHBondContact O-N 2.68Å; S780-Q791 PolarHBondContact OG-OE1 2.9Å; S780-Q791 VanDerWaalsContact OG-OE1 3.07Å
781V88.8Confident88.8Confident3 Ų347.2 Ų47.22%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-113.1130.1-179.2177.70000111.7L582 T586 I588 S589 G779 T788 Y789L582-V781 HydrophobicContact CD1-CG1 4.07Å; L582-V781 HydrophobicContact CD1-CG2 4.19Å; L582-V781 HydrophobicContact CD2-CG2 4.19Å; T586-V781 HydrophobicContact CG2-CB 4.27Å; T586-V781 HydrophobicContact CG2-CG2 3.89Å; I588-V781 HydrophobicContact CG1-CG1 4.18Å; S589-V781 PolarHBondContact N-O 3.1Å; G779-V781 PolarHBondContact O-N 3.33Å; G779-V781 VanDerWaalsContact O-N 3.16Å; V781-T788 HydrophobicContact CG1-CG2 3.36Å; V781-Y789 WeakPolarHBondContact CA-O 3.4Å
782V89.1Confident88.6Confident0 Ų044.6 Ų44.60%024%0.243CC..EExtended strand (participates in β ladder)trans-121.1130.4-175.6-177.10000111.7M571 S589 L591 T604 Y789M571-V782 HydrophobicContact CE-CG2 4.08Å; M571-V782 HydrophobicContact SD-CB 4.15Å; M571-V782 HydrophobicContact SD-CG2 4.1Å; S589-V782 CarbonylContact O-C 3.52Å; S589-V782 VanDerWaalsContact O-CA 3.25Å; S589-V782 WeakPolarHBondContact O-CA 3.22Å; L591-V782 HydrophobicContact CB-CG1 4.01Å; T604-V782 HydrophobicContact CG2-CG2 4.44Å; V782-Y789 PolarHBondContact N-O 2.71Å; V782-Y789 PolarHBondContact O-N 3.19Å
783Q88.6Confident88.5Confident57 Ų5748.1 Ų48.127%0.26626%0.256SS..EExtended strand (participates in β ladder)trans-96.7127.8172.8-177177.872.700111.2I588 S589 L591 I607I588-Q783 HydrophobicContact CG2-CB 3.75Å; S589-Q783 PolarHBondContact O-N 3.47Å; L591-Q783 PolarHBondContact N-O 3.26Å; I607-Q783 HydrophobicContact CD1-CB 4.4Å
784Y87.1Confident88.3Confident32 Ų3248 Ų4813%0.12526%0.256CS..EExtended strand (participates in β ladder)trans-129.8129.6170.1-174.3-98.9000110.9Q558 D559 F562 L591 F593 K786 K787Q558-Y784 VanDerWaalsContact CB-OH 3.25Å; Q558-Y784 WeakPolarHBondContact CB-OH 3.39Å; D559-Y784 PolarHBondContact N-OH 2.83Å; D559-Y784 WeakPolarHBondContact OD1-CE1 3.34Å; D559-Y784 PolarHBondContact OD1-OH 2.98Å; F562-Y784 HydrophobicContact CB-CD1 4.41Å; F562-Y784 HydrophobicContact CB-CE1 4.09Å; F562-Y784 HydrophobicContact CB-CE2 4.33Å; F562-Y784 AromaticContact CD1-CD1 3.43Å; F562-Y784 HydrophobicContact CD1-CD1 3.43Å; F562-Y784 VanDerWaalsContact CD1-CD1 3.43Å; F562-Y784 AromaticContact CD1-CE1 3.76Å; F562-Y784 HydrophobicContact CD1-CE1 3.76Å; F562-Y784 AromaticContact CD1-CG 3.96Å; F562-Y784 HydrophobicContact CD1-CG 3.96Å; F562-Y784 HydrophobicContact CD2-CD1 4.29Å; F562-Y784 HydrophobicContact CD2-CD2 4.16Å; F562-Y784 AromaticContact CD2-CG 3.99Å; F562-Y784 HydrophobicContact CD2-CG 3.99Å; F562-Y784 AromaticContact CE1-CD1 3.67Å; F562-Y784 HydrophobicContact CE1-CD1 3.67Å; F562-Y784 HydrophobicContact CE1-CE1 4.44Å; F562-Y784 HydrophobicContact CE1-CG 4.02Å; F562-Y784 HydrophobicContact CE2-CD1 4.49Å; F562-Y784 HydrophobicContact CE2-CG 4.07Å; F562-Y784 AromaticContact CG-CD1 3.77Å; F562-Y784 HydrophobicContact CG-CD1 3.77Å; F562-Y784 HydrophobicContact CG-CD2 4.23Å; F562-Y784 AromaticContact CG-CE1 3.95Å; F562-Y784 HydrophobicContact CG-CE1 3.95Å; F562-Y784 HydrophobicContact CG-CE2 4.38Å; F562-Y784 AromaticContact CG-CG 3.94Å; F562-Y784 HydrophobicContact CG-CG 3.94Å; F562-Y784 HydrophobicContact CZ-CD1 4.21Å; F562-Y784 HydrophobicContact CZ-CG 4.09Å; L591-Y784 HydrophobicContact CB-CD2 4.37Å; L591-Y784 HydrophobicContact CD2-CD2 4.35Å; F593-Y784 HydrophobicContact CE2-CE2 4.13Å; Y784-K786 PolarHBondContact O-N 3.24Å; Y784-K786 VanDerWaalsContact O-N 3.16Å; Y784-K787 PolarHBondContact N-O 2.98Å; Y784-K787 PolarHBondContact O-N 2.76Å; Y784-K787 VanDerWaalsContact O-O 3.08Å
785G82.9Confident88.4Confident57 Ų5745.9 Ų45.959%0.58824%0.242SC*.THydrogen-bonded Turntrans60.6-115.4-173.600000112.4
786K83.8Confident88.3Confident207 Ų20740.9 Ų40.990%0.922%0.221SC*.THydrogen-bonded Turntrans-103-10.3169.9-67.9-177.3179.1178.70113.2Y784Y784-K786 PolarHBondContact O-N 3.24Å; Y784-K786 VanDerWaalsContact O-N 3.16Å
787K88.6Confident88.2Confident103 Ų10341 Ų4145%0.44822%0.221SC..EExtended strand (participates in β ladder)trans-95.6159.8-170.7-69.8-180164.5-146.40111.4E573 Y784 Y789E573-K787 WeakPolarHBondContact OE1-CD 3.33Å; E573-K787 WeakPolarHBondContact OE1-CE 3.19Å; E573-K787 IonicContact OE1-NZ 2.94Å; E573-K787 PolarHBondContact OE1-NZ 3.26Å; E573-K787 WeakPolarHBondContact OE2-CD 3.43Å; E573-K787 IonicContact OE2-NZ 3.69Å; E573-K787 PolarHBondContact OE2-NZ 3.46Å; Y784-K787 PolarHBondContact N-O 2.98Å; Y784-K787 PolarHBondContact O-N 2.76Å; Y784-K787 VanDerWaalsContact O-O 3.08Å; K787-Y789 HydrophobicContact CB-CE2 3.53Å; K787-Y789 WeakPolarHBondContact CB-OH 3.4Å; K787-Y789 WeakPolarHBondContact CD-OH 3.38Å
788T90.5Very high87.9Confident23 Ų2343.6 Ų43.614%0.14125%0.248CC..EExtended strand (participates in β ladder)trans-122.7138-177.2-54.20000108.8L574 V781L574-T788 HydrophobicContact CD1-CG2 4.29Å; L574-T788 PolarHBondContact N-O 2.97Å; V781-T788 HydrophobicContact CG1-CG2 3.36Å
789Y91.4Very high88.1Confident11 Ų1141.8 Ų41.84%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-131.8145.3-172.5-59.6-94.2000110.2F562 L566 E572 E573 V781 V782 K787F562-Y789 HydrophobicContact CE1-CD1 4.43Å; F562-Y789 HydrophobicContact CE1-CD2 4.43Å; F562-Y789 AromaticContact CE1-CE1 3.84Å; F562-Y789 HydrophobicContact CE1-CE1 3.84Å; F562-Y789 AromaticContact CE1-CE2 3.83Å; F562-Y789 HydrophobicContact CE1-CE2 3.83Å; F562-Y789 AromaticContact CE1-CZ 3.52Å; F562-Y789 AromaticContact CZ-CD1 3.94Å; F562-Y789 HydrophobicContact CZ-CD1 3.94Å; F562-Y789 AromaticContact CZ-CD2 3.76Å; F562-Y789 HydrophobicContact CZ-CD2 3.76Å; F562-Y789 AromaticContact CZ-CE1 3.81Å; F562-Y789 HydrophobicContact CZ-CE1 3.81Å; F562-Y789 AromaticContact CZ-CE2 3.61Å; F562-Y789 HydrophobicContact CZ-CE2 3.61Å; F562-Y789 AromaticContact CZ-CG 3.94Å; F562-Y789 HydrophobicContact CZ-CG 3.94Å; F562-Y789 AromaticContact CZ-CZ 3.66Å; L566-Y789 HydrophobicContact CD2-CD1 3.99Å; L566-Y789 HydrophobicContact CD2-CE1 3.88Å; E572-Y789 CarbonylContact O-C 3.28Å; E572-Y789 WeakPolarHBondContact O-CA 3.45Å; E572-Y789 VanDerWaalsContact O-CB 3.28Å; E572-Y789 WeakPolarHBondContact O-CB 3.25Å; E573-Y789 HydrophobicContact CB-CD1 3.85Å; E573-Y789 HydrophobicContact CB-CE1 3.62Å; E573-Y789 HydrophobicContact CG-CD1 4.14Å; E573-Y789 HydrophobicContact CG-CE1 3.68Å; E573-Y789 PolarHBondContact OE2-OH 3.2Å; V781-Y789 WeakPolarHBondContact CA-O 3.4Å; V782-Y789 PolarHBondContact N-O 2.71Å; V782-Y789 PolarHBondContact O-N 3.19Å; K787-Y789 HydrophobicContact CB-CE2 3.53Å; K787-Y789 WeakPolarHBondContact CB-OH 3.4Å; K787-Y789 WeakPolarHBondContact CD-OH 3.38Å
790H90.3Very high88.3Confident47 Ų4744.1 Ų44.122%0.21825%0.246CC..EExtended strand (participates in β ladder)trans-86142.4165.3-172.5-78.7000109.4M571 E572 L574 T778 C792M571-H790 VanDerWaalsContact CA-O 3.28Å; M571-H790 WeakPolarHBondContact CA-O 3.33Å; E572-H790 PolarHBondContact N-O 3.19Å; E572-H790 PolarHBondContact O-N 2.95Å; L574-H790 HydrophobicContact CD1-CB 4.42Å; L574-H790 HydrophobicContact CD2-CB 4.17Å; L574-H790 HydrophobicContact CG-CB 4.28Å; T778-H790 PolarHBondContact O-NE2 3.17Å; H790-C792 PolarHBondContact ND1-N 3.08Å
791Q90Very high88.7Confident10 Ų1043.4 Ų43.45%0.04724%0.241CC..  trans-9594.8172.2-177.1-179.34.400110.5M571 H682 S780 R793 G794M571-Q791 HydrophobicContact CE-CB 3.99Å; M571-Q791 HydrophobicContact CE-CG 3.71Å; M571-Q791 HydrophobicContact SD-CB 3.96Å; M571-Q791 HydrophobicContact SD-CG 4.23Å; H682-Q791 PolarHBondContact CE1-O 2.86Å; S780-Q791 PolarHBondContact O-N 2.68Å; S780-Q791 PolarHBondContact OG-OE1 2.9Å; S780-Q791 VanDerWaalsContact OG-OE1 3.07Å; Q791-R793 VanDerWaalsContact C-N 3.32Å; Q791-R793 VanDerWaalsContact CG-O 3.3Å; Q791-R793 WeakPolarHBondContact CG-O 3.18Å; Q791-R793 PolarHBondContact NE2-O 3.05Å; Q791-R793 PolarHBondContact O-N 3.33Å; Q791-G794 VanDerWaalsContact NE2-C 3.29Å; Q791-G794 PolarHBondContact NE2-O 3.42Å
792C88.4Confident89Confident48 Ų4843.3 Ų43.332%0.32424%0.24SC..  trans-75.8-18.4-176.5-380000113.5Q570 E572 H790Q570-C792 PolarHBondContact O-N 3.01Å; E572-C792 WeakPolarHBondContact CB-SG 3.33Å; H790-C792 PolarHBondContact ND1-N 3.08Å
793R89.3Confident89.3Confident93 Ų9345.2 Ų45.235%0.35125%0.253SS..SBendtrans-145.7148.4-175.7-165.6171.6177.4168.21.5113S679 Q791S679-R793 VanDerWaalsContact O-CZ 3.3Å; S679-R793 PolarHBondContact O-NE 3.06Å; S679-R793 PolarHBondContact O-NH2 2.94Å; Q791-R793 VanDerWaalsContact C-N 3.32Å; Q791-R793 VanDerWaalsContact CG-O 3.3Å; Q791-R793 WeakPolarHBondContact CG-O 3.18Å; Q791-R793 PolarHBondContact NE2-O 3.05Å; Q791-R793 PolarHBondContact O-N 3.33Å
794G91.1Very high89.6Confident0 Ų042.9 Ų42.90%024%0.243CC..SBendtrans73.3-175.6178.800000114.2Y677 L680 H682 Q791Y677-G794 CarbonylContact O-C 3.38Å; Y677-G794 WeakPolarHBondContact O-CA 3.46Å; L680-G794 WeakPolarHBondContact O-CA 3.17Å; L680-G794 PolarHBondContact O-N 3.28Å; H682-G794 PolarHBondContact NE2-O 3.29Å; Q791-G794 VanDerWaalsContact NE2-C 3.29Å; Q791-G794 PolarHBondContact NE2-O 3.42Å
795I92.3Very high90Very high3 Ų341.4 Ų41.42%0.01524%0.237CC..  trans-124.5148.4-174.858-176.1000112Y677 L680 L685 L777 Q797 S802 L805 C806Y677-I795 HydrophobicContact CD2-CG1 4.3Å; Y677-I795 HydrophobicContact CG-CD1 4.29Å; Y677-I795 HydrophobicContact CG-CG1 4.07Å; Y677-I795 PolarHBondContact O-N 2.87Å; L680-I795 HydrophobicContact CD1-CD1 3.59Å; L680-I795 HydrophobicContact CD1-CG1 4Å; L685-I795 HydrophobicContact CD1-CG2 3.53Å; L777-I795 HydrophobicContact CD1-CG2 3.98Å; I795-Q797 PolarHBondContact O-N 3.12Å; I795-S802 VanDerWaalsContact CD1-O 3.22Å; I795-S802 WeakPolarHBondContact CD1-O 3.46Å; I795-L805 HydrophobicContact CD1-CB 4.05Å; I795-L805 HydrophobicContact CG2-CD1 4.45Å; I795-C806 HydrophobicContact CD1-CB 4.37Å
796P88.5Confident90.7Very high22 Ų2238.7 Ų38.714%0.14321%0.209CC..  trans-62.5109.1-174.920-32.1000113.1T604 G798 S799 S802T604-P796 HydrophobicContact CG2-CB 4.15Å; T604-P796 WeakPolarHBondContact OG1-CB 3.45Å; P796-G798 PolarHBondContact O-N 3.26Å; P796-S799 PolarHBondContact O-N 2.97Å; P796-S802 PolarHBondContact O-OG 3.29Å
797Q88.2Confident91.3Very high19 Ų1928.8 Ų28.89%0.08917%0.166CC..THydrogen-bonded Turntrans-61.3121.4168.2-85.1-168.233.100110R601 P602 I603 T604 Y677 E678 I795R601-Q797 VanDerWaalsContact NE-OE1 3.11Å; P602-Q797 VanDerWaalsContact O-CB 3.31Å; P602-Q797 WeakPolarHBondContact O-CB 3.47Å; P602-Q797 PolarHBondContact O-OE1 3.06Å; P602-Q797 VanDerWaalsContact O-OE1 3.05Å; I603-Q797 CarbonylContact C-O 3.43Å; I603-Q797 WeakPolarHBondContact CA-O 3.47Å; T604-Q797 PolarHBondContact N-O 3.44Å; T604-Q797 PolarHBondContact OG1-O 3.44Å; Y677-Q797 HydrophobicContact CD2-CG 3.53Å; Y677-Q797 HydrophobicContact CE2-CG 4.33Å; Y677-Q797 HydrophobicContact CG-CG 4.12Å; E678-Q797 PolarHBondContact OE1-NE2 2.87Å; E678-Q797 PolarHBondContact OE2-NE2 2.92Å; I795-Q797 PolarHBondContact O-N 3.12Å
798G83.2Confident91.7Very high58 Ų5824 Ų2460%0.59815%0.146SC*.THydrogen-bonded Turntrans104.8-10.4-176.200000115P796P796-G798 PolarHBondContact O-N 3.26Å
799S88.4Confident92Very high34 Ų3423 Ų2324%0.23814%0.139CC..  trans-72.2146.8162.6-179.30000110.6V620 P796 V801V620-S799 WeakPolarHBondContact CG1-OG 3.45Å; P796-S799 PolarHBondContact O-N 2.97Å; S799-V801 VanDerWaalsContact C-N 3.28Å; S799-V801 PolarHBondContact O-N 3.49Å
800V89.8Confident92.2Very high84 Ų8422.4 Ų22.451%0.50914%0.137SC..SBendtrans-72.2-21.1-174.8-65.40000113.5V620 R621 L624V620-V800 HydrophobicContact CG1-CG2 3.87Å; R621-V800 HydrophobicContact CG-CG2 3.91Å; L624-V800 HydrophobicContact CD2-CB 3.93Å; L624-V800 HydrophobicContact CD2-CG2 3.85Å
801V93.1Very high92.4Very high0 Ų020.2 Ų20.20%013%0.126CC..SBendtrans-91.5-24.4-176.873.70000113.3V620 L623 L624 L627 M776 S799 C803 L804 L805V620-V801 HydrophobicContact CG1-CB 4.36Å; V620-V801 HydrophobicContact CG1-CG1 4.03Å; L623-V801 HydrophobicContact CD2-CG2 4.28Å; L623-V801 HydrophobicContact CG-CG2 4.27Å; L624-V801 HydrophobicContact CB-CB 4.19Å; L624-V801 HydrophobicContact CB-CG2 4Å; L624-V801 HydrophobicContact CD1-CG2 4.34Å; L627-V801 HydrophobicContact CD1-CG2 4.1Å; M776-V801 HydrophobicContact CE-CG1 4.1Å; M776-V801 HydrophobicContact SD-CG1 4.22Å; S799-V801 VanDerWaalsContact C-N 3.28Å; S799-V801 PolarHBondContact O-N 3.49Å; V801-C803 VanDerWaalsContact C-N 3.27Å; V801-C803 PolarHBondContact O-N 2.97Å; V801-C803 VanDerWaalsContact O-N 3.11Å; V801-L804 PolarHBondContact O-N 2.95Å; V801-L805 HydrophobicContact CG1-CD1 3.95Å; V801-L805 HydrophobicContact CG1-CG 4.46Å; V801-L805 HydrophobicContact CG2-CD1 4.46Å; V801-L805 HydrophobicContact CG2-CD2 4.29Å; V801-L805 HydrophobicContact CG2-CG 4.12Å; V801-L805 PolarHBondContact O-N 3.39Å; V801-L805 VanDerWaalsContact O-N 3.15Å
802S94.2Very high92.7Very high1 Ų121.4 Ų21.41%0.00713%0.132CC..Hα-helixtrans-57-35.2-170.4-53.40000114.4I795 P796 L804 L805 C806I795-S802 VanDerWaalsContact CD1-O 3.22Å; I795-S802 WeakPolarHBondContact CD1-O 3.46Å; P796-S802 PolarHBondContact O-OG 3.29Å; S802-L804 VanDerWaalsContact C-N 3.32Å; S802-L804 PolarHBondContact O-N 3.16Å; S802-L805 PolarHBondContact O-N 3.07Å; S802-C806 WeakPolarHBondContact O-CB 3.37Å; S802-C806 PolarHBondContact O-N 2.85Å
803C94.7Very high93.1Very high40 Ų4019.1 Ų19.127%0.2712%0.117SC..Hα-helixtrans-63.1-38.1176.2-170.40000112.6Y677 V801 C807Y677-C803 VanDerWaalsContact OH-CA 3.3Å; Y677-C803 WeakPolarHBondContact OH-CA 3.4Å; Y677-C803 WeakPolarHBondContact OH-CB 3.43Å; V801-C803 VanDerWaalsContact C-N 3.27Å; V801-C803 PolarHBondContact O-N 2.97Å; V801-C803 VanDerWaalsContact O-N 3.11Å; C803-C807 PolarHBondContact O-N 2.92Å; C803-C807 VanDerWaalsContact O-N 3.15Å; C803-C807 PolarHBondContact O-SG 2.97Å
804L95.8Very high93.3Very high8 Ų814.9 Ų14.94%0.04210%0.101CC..Hα-helixtrans-75.4-39.5179.1-174.957.8000111.1L624 L627 R628 V631 L638 W643 V801 S802 C806 C807 L808L624-L804 HydrophobicContact CD1-CB 4.25Å; L624-L804 HydrophobicContact CD1-CD2 3.83Å; L627-L804 HydrophobicContact CB-CD2 3.55Å; L627-L804 HydrophobicContact CB-CG 4.45Å; R628-L804 HydrophobicContact CG-CD2 4.05Å; V631-L804 HydrophobicContact CG2-CD1 4.41Å; L638-L804 HydrophobicContact CD2-CD1 3.91Å; W643-L804 HydrophobicContact CH2-CD1 3.81Å; W643-L804 HydrophobicContact CZ2-CD1 3.91Å; V801-L804 PolarHBondContact O-N 2.95Å; S802-L804 VanDerWaalsContact C-N 3.32Å; S802-L804 PolarHBondContact O-N 3.16Å; L804-C806 VanDerWaalsContact C-N 3.34Å; L804-C806 PolarHBondContact O-N 3.47Å; L804-C807 PolarHBondContact O-N 2.81Å; L804-L808 HydrophobicContact CD1-CD1 4.36Å; L804-L808 HydrophobicContact CD1-CG 4.3Å; L804-L808 HydrophobicContact CG-CD1 4Å; L804-L808 HydrophobicContact CG-CG 4.42Å; L804-L808 WeakPolarHBondContact O-CB 3.24Å; L804-L808 VanDerWaalsContact O-CG 3.29Å; L804-L808 WeakPolarHBondContact O-CG 3.49Å; L804-L808 PolarHBondContact O-N 3.11Å
805L96.3Very high93.4Very high1 Ų118.1 Ų18.11%0.00512%0.118CC..Hα-helixtrans-58.8-44.5174.2-59.2176.5000111.8L627 L685 I689 F773 M776 I795 V801 S802 L808 C809L627-L805 HydrophobicContact CD1-CD2 3.89Å; L685-L805 HydrophobicContact CD2-CB 4.49Å; I689-L805 HydrophobicContact CD1-CD2 3.69Å; I689-L805 HydrophobicContact CG1-CD2 3.96Å; F773-L805 HydrophobicContact CD2-CD1 4.48Å; F773-L805 HydrophobicContact CD2-CD2 4.15Å; F773-L805 HydrophobicContact CE2-CD1 3.86Å; F773-L805 HydrophobicContact CE2-CD2 3.7Å; F773-L805 HydrophobicContact CE2-CG 4.42Å; F773-L805 HydrophobicContact CZ-CD2 4.42Å; M776-L805 HydrophobicContact CE-CD1 4.21Å; I795-L805 HydrophobicContact CD1-CB 4.05Å; I795-L805 HydrophobicContact CG2-CD1 4.45Å; V801-L805 HydrophobicContact CG1-CD1 3.95Å; V801-L805 HydrophobicContact CG1-CG 4.46Å; V801-L805 HydrophobicContact CG2-CD1 4.46Å; V801-L805 HydrophobicContact CG2-CD2 4.29Å; V801-L805 HydrophobicContact CG2-CG 4.12Å; V801-L805 PolarHBondContact O-N 3.39Å; V801-L805 VanDerWaalsContact O-N 3.15Å; S802-L805 PolarHBondContact O-N 3.07Å; L805-L808 PolarHBondContact O-N 3.11Å; L805-C809 WeakPolarHBondContact O-CB 3.47Å; L805-C809 PolarHBondContact O-N 3.13Å
806C96.3Very high93.4Very high0 Ų021.5 Ų21.50%014%0.138CC..Hα-helixtrans-62.4-46175.5-168.10000111.8Y677 L680 I795 S802 L804 L808 C809 Y810Y677-C806 HydrophobicContact CD1-CB 3.91Å; Y677-C806 HydrophobicContact CE1-CB 3.63Å; L680-C806 HydrophobicContact CD1-CB 4.28Å; I795-C806 HydrophobicContact CD1-CB 4.37Å; S802-C806 WeakPolarHBondContact O-CB 3.37Å; S802-C806 PolarHBondContact O-N 2.85Å; L804-C806 VanDerWaalsContact C-N 3.34Å; L804-C806 PolarHBondContact O-N 3.47Å; C806-L808 PolarHBondContact O-N 2.98Å; C806-C809 PolarHBondContact O-N 3.33Å; C806-Y810 PolarHBondContact O-N 2.94Å
807C96.5Very high93.6Very high0 Ų023.9 Ų23.90%015%0.15CC..Hα-helixtrans-67.7-31.6179.7-69.70000113.8L638 T641 W643 C803 L804 G811L638-C807 HydrophobicContact CD2-CB 4.05Å; T641-C807 HydrophobicContact CG2-CB 4.05Å; W643-C807 HydrophobicContact CH2-CB 4.28Å; C803-C807 PolarHBondContact O-N 2.92Å; C803-C807 VanDerWaalsContact O-N 3.15Å; C803-C807 PolarHBondContact O-SG 2.97Å; L804-C807 PolarHBondContact O-N 2.81Å; C807-G811 WeakPolarHBondContact O-CA 3.37Å; C807-G811 PolarHBondContact O-N 3.12Å
808L96.8Very high93.6Very high3 Ų324 Ų242%0.01615%0.15CC..Hα-helixtrans-70.7-43.7172.2-72.8167.8000111.2L627 V631 L637 L638 I689 L804 L805 C806 G811 H812L627-L808 HydrophobicContact CD1-CD1 4.47Å; L627-L808 HydrophobicContact CD2-CD1 4.11Å; V631-L808 HydrophobicContact CG2-CD2 3.79Å; L637-L808 HydrophobicContact CB-CD2 3.77Å; L638-L808 HydrophobicContact CD2-CD2 4.15Å; L638-L808 HydrophobicContact CD2-CG 4.41Å; I689-L808 HydrophobicContact CD1-CB 3.88Å; I689-L808 HydrophobicContact CD1-CD1 3.52Å; I689-L808 HydrophobicContact CD1-CG 4.34Å; L804-L808 HydrophobicContact CD1-CD1 4.36Å; L804-L808 HydrophobicContact CD1-CG 4.3Å; L804-L808 HydrophobicContact CG-CD1 4Å; L804-L808 HydrophobicContact CG-CG 4.42Å; L804-L808 WeakPolarHBondContact O-CB 3.24Å; L804-L808 VanDerWaalsContact O-CG 3.29Å; L804-L808 WeakPolarHBondContact O-CG 3.49Å; L804-L808 PolarHBondContact O-N 3.11Å; L805-L808 PolarHBondContact O-N 3.11Å; C806-L808 PolarHBondContact O-N 2.98Å; L808-G811 PolarHBondContact O-N 3.07Å; L808-H812 PolarHBondContact O-N 3.2Å
809C96.7Very high93.4Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-63.4-45.1179.4-161.90000112.1L680 L685 L805 C806 M813 Y859L680-C809 HydrophobicContact CD2-CB 3.98Å; L685-C809 HydrophobicContact CD2-CB 3.85Å; L805-C809 WeakPolarHBondContact O-CB 3.47Å; L805-C809 PolarHBondContact O-N 3.13Å; C806-C809 PolarHBondContact O-N 3.33Å; C809-M813 PolarHBondContact O-N 2.77Å; C809-M813 VanDerWaalsContact O-N 3.1Å; C809-Y859 WeakPolarHBondContact O-CD1 3.17Å
810Y96.3Very high93Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-77.1-23.8174.5-64.7-14000113.3V673 A676 L680 C806 M813 E814 F835 L861V673-Y810 HydrophobicContact CG1-CE2 4.38Å; A676-Y810 HydrophobicContact CB-CE2 3.9Å; L680-Y810 HydrophobicContact CD2-CE1 3.91Å; C806-Y810 PolarHBondContact O-N 2.94Å; Y810-M813 HydrophobicContact CD1-SD 4.47Å; Y810-M813 WeakPolarHBondContact O-CB 3.03Å; Y810-M813 PolarHBondContact O-N 2.77Å; Y810-E814 VanDerWaalsContact O-CG 3.29Å; Y810-E814 WeakPolarHBondContact O-CG 3.36Å; Y810-E814 PolarHBondContact O-N 2.78Å; Y810-F835 HydrophobicContact CD2-CE2 4.39Å; Y810-F835 HydrophobicContact CD2-CZ 4.42Å; Y810-L861 HydrophobicContact CE1-CB 4.42Å
811G95.7Very high92.5Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-64.9-45.1169.600000112.2C807 L808 E814 N815C807-G811 WeakPolarHBondContact O-CA 3.37Å; C807-G811 PolarHBondContact O-N 3.12Å; L808-G811 PolarHBondContact O-N 3.07Å; G811-E814 PolarHBondContact O-N 2.96Å; G811-N815 WeakPolarHBondContact O-CB 3.33Å; G811-N815 PolarHBondContact O-N 3.31Å; G811-N815 PolarHBondContact O-ND2 2.89Å
812H96.3Very high91.4Very high36 Ų3631.1 Ų31.117%0.16716%0.164CC..Hα-helixtrans-61.5-42.3170.9-177.5-74.6000111.8V688 Q691 L808 E814 N815 V816 Y859V688-H812 HydrophobicContact CB-CB 4.4Å; V688-H812 HydrophobicContact CG1-CB 3.6Å; V688-H812 HydrophobicContact CG2-CB 3.84Å; Q691-H812 PolarHBondContact OE1-CD2 3.39Å; Q691-H812 PolarHBondContact OE1-NE2 2.95Å; Q691-H812 VanDerWaalsContact OE1-NE2 3.1Å; L808-H812 PolarHBondContact O-N 3.2Å; H812-E814 PolarHBondContact O-N 3.01Å; H812-N815 PolarHBondContact O-N 2.95Å; H812-V816 WeakPolarHBondContact O-CG2 3.42Å; H812-V816 PolarHBondContact O-N 3.14Å; H812-Y859 PolarHBondContact CE1-OH 2.75Å; H812-Y859 VanDerWaalsContact CE1-OH 3.3Å; H812-Y859 AromaticContact ND1-CE1 3.66Å; H812-Y859 AromaticContact ND1-CZ 3.7Å; H812-Y859 PolarHBondContact ND1-OH 3.14Å
813M95.6Very high90.3Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-58.3-46.4175.6-170.8-161.775.100112.3C809 Y810 V816 L817 F818 F835 L852 V856 Y859 L861C809-M813 PolarHBondContact O-N 2.77Å; C809-M813 VanDerWaalsContact O-N 3.1Å; Y810-M813 HydrophobicContact CD1-SD 4.47Å; Y810-M813 WeakPolarHBondContact O-CB 3.03Å; Y810-M813 PolarHBondContact O-N 2.77Å; M813-V816 PolarHBondContact O-N 2.9Å; M813-L817 HydrophobicContact CG-CD1 3.81Å; M813-L817 HydrophobicContact CG-CG 4.43Å; M813-L817 PolarHBondContact O-N 3.14Å; M813-L817 HydrophobicContact SD-CD1 4.45Å; M813-F818 HydrophobicContact CE-CE2 4.23Å; M813-F835 HydrophobicContact CE-CE1 4.14Å; M813-F835 HydrophobicContact CE-CZ 3.85Å; M813-L852 HydrophobicContact CE-CD2 4.31Å; M813-V856 HydrophobicContact CG-CG1 4.46Å; M813-V856 HydrophobicContact SD-CB 4.15Å; M813-V856 HydrophobicContact SD-CG1 4.38Å; M813-V856 HydrophobicContact SD-CG2 3.97Å; M813-Y859 HydrophobicContact CB-CD1 3.71Å; M813-Y859 HydrophobicContact CB-CD2 4.17Å; M813-Y859 HydrophobicContact CB-CE1 3.69Å; M813-Y859 HydrophobicContact CB-CE2 4.15Å; M813-Y859 HydrophobicContact CB-CG 3.95Å; M813-Y859 HydrophobicContact CG-CD1 4.17Å; M813-Y859 HydrophobicContact CG-CD2 3.73Å; M813-Y859 HydrophobicContact CG-CE1 4.3Å; M813-Y859 HydrophobicContact CG-CE2 3.87Å; M813-Y859 HydrophobicContact CG-CG 3.88Å; M813-Y859 HydrophobicContact SD-CD2 4.43Å; M813-Y859 HydrophobicContact SD-CG 4.33Å; M813-L861 HydrophobicContact CE-CD1 3.63Å; M813-L861 HydrophobicContact SD-CB 4.35Å; M813-L861 HydrophobicContact SD-CD1 3.59Å; M813-L861 VanDerWaalsContact SD-CD1 3.59Å
814E94.6Very high88.9Confident4 Ų440.2 Ų40.22%0.01920%0.203CC..Hα-helixtrans-61-45.4175.4-73164.3169.300111.6G639 S640 Y810 G811 H812 V816 L817 F818 L828 R830 F835G639-E814 WeakPolarHBondContact CA-OE2 3.49Å; S640-E814 PolarHBondContact N-OE2 3.17Å; Y810-E814 VanDerWaalsContact O-CG 3.29Å; Y810-E814 WeakPolarHBondContact O-CG 3.36Å; Y810-E814 PolarHBondContact O-N 2.78Å; G811-E814 PolarHBondContact O-N 2.96Å; H812-E814 PolarHBondContact O-N 3.01Å; E814-V816 PolarHBondContact O-N 3.17Å; E814-L817 PolarHBondContact O-N 2.84Å; E814-F818 HydrophobicContact CB-CD2 4.48Å; E814-F818 HydrophobicContact CG-CD2 4.21Å; E814-F818 CarbonylContact O-C 3.58Å; E814-F818 WeakPolarHBondContact O-CA 3.35Å; E814-F818 PolarHBondContact O-N 3.21Å; E814-L828 HydrophobicContact CG-CD2 4.09Å; E814-R830 VanDerWaalsContact CD-NH2 3.33Å; E814-R830 IonicContact OE1-CZ 3.31Å; E814-R830 IonicContact OE1-NE 3.33Å; E814-R830 PolarHBondContact OE1-NE 2.77Å; E814-R830 IonicContact OE1-NH2 2.69Å; E814-R830 PolarHBondContact OE1-NH2 2.78Å; E814-R830 IonicContact OE2-CZ 2.8Å; E814-R830 IonicContact OE2-NE 1.94Å; E814-R830 IonicContact OE2-NH2 2.71Å; E814-R830 PolarHBondContact OE2-NH2 2.92Å; E814-F835 HydrophobicContact CG-CE1 4.28Å; E814-F835 VanDerWaalsContact OE1-CE1 3.31Å; E814-F835 WeakPolarHBondContact OE1-CE1 3.44Å
815N92.3Very high87.9Confident68 Ų6847.4 Ų47.436%0.36423%0.234SC..Hα-helixtrans-66.7-14.1177.8-66.7-16.5000113.8S636 G811 H812 K819S636-N815 PolarHBondContact O-ND2 3.46Å; G811-N815 WeakPolarHBondContact O-CB 3.33Å; G811-N815 PolarHBondContact O-N 3.31Å; G811-N815 PolarHBondContact O-ND2 2.89Å; H812-N815 PolarHBondContact O-N 2.95Å; N815-K819 WeakPolarHBondContact O-CE 3.06Å; N815-K819 WeakPolarHBondContact O-CG 3.36Å
816V92.8Very high87.2Confident73 Ų7347.7 Ų47.744%0.44224%0.237SC..Hα-helixtrans-94.6-49.1172.8170.50000111.3H812 M813 E814H812-V816 WeakPolarHBondContact O-CG2 3.42Å; H812-V816 PolarHBondContact O-N 3.14Å; M813-V816 PolarHBondContact O-N 2.9Å; E814-V816 PolarHBondContact O-N 3.17Å
817L91.6Very high87Confident72 Ų7248 Ų4838%0.37724%0.24SC..Hα-helixtrans-91.2-24.9-169.8-60.2-179.9000114.8M813 E814 T851 V856M813-L817 HydrophobicContact CG-CD1 3.81Å; M813-L817 HydrophobicContact CG-CG 4.43Å; M813-L817 PolarHBondContact O-N 3.14Å; M813-L817 HydrophobicContact SD-CD1 4.45Å; E814-L817 PolarHBondContact O-N 2.84Å; L817-T851 HydrophobicContact CD1-CG2 4.44Å; L817-V856 HydrophobicContact CD1-CG1 3.99Å; L817-V856 HydrophobicContact CD1-CG2 3.98Å
818F89.6Confident87Confident22 Ų2248.5 Ų48.510%0.09624%0.242CC..  trans-129.726.7-165-55-45.8000113.5M813 E814 D820 I821 L828 F848 T851 L852M813-F818 HydrophobicContact CE-CE2 4.23Å; E814-F818 HydrophobicContact CB-CD2 4.48Å; E814-F818 HydrophobicContact CG-CD2 4.21Å; E814-F818 CarbonylContact O-C 3.58Å; E814-F818 WeakPolarHBondContact O-CA 3.35Å; E814-F818 PolarHBondContact O-N 3.21Å; F818-D820 PolarHBondContact O-N 2.89Å; F818-I821 HydrophobicContact CB-CB 4.09Å; F818-I821 HydrophobicContact CB-CD1 4.2Å; F818-I821 HydrophobicContact CB-CG2 4Å; F818-I821 HydrophobicContact CD1-CD1 4.22Å; F818-I821 HydrophobicContact CG-CD1 4.24Å; F818-I821 WeakPolarHBondContact O-CB 3.28Å; F818-I821 VanDerWaalsContact O-CG2 3.24Å; F818-I821 WeakPolarHBondContact O-CG2 3.5Å; F818-I821 PolarHBondContact O-N 3.11Å; F818-L828 HydrophobicContact CD2-CD2 4.42Å; F818-F848 HydrophobicContact CD1-CD2 4.09Å; F818-F848 HydrophobicContact CD2-CD2 4.27Å; F818-F848 HydrophobicContact CD2-CE2 4.08Å; F818-F848 AromaticContact CE1-CD2 3.75Å; F818-F848 HydrophobicContact CE1-CD2 3.75Å; F818-F848 HydrophobicContact CE1-CE2 4.38Å; F818-F848 AromaticContact CE2-CD2 3.94Å; F818-F848 HydrophobicContact CE2-CD2 3.94Å; F818-F848 AromaticContact CE2-CE2 3.72Å; F818-F848 HydrophobicContact CE2-CE2 3.72Å; F818-F848 HydrophobicContact CG-CD2 4.36Å; F818-F848 AromaticContact CZ-CD2 3.67Å; F818-F848 HydrophobicContact CZ-CD2 3.67Å; F818-F848 AromaticContact CZ-CE2 3.89Å; F818-F848 HydrophobicContact CZ-CE2 3.89Å; F818-T851 HydrophobicContact CE1-CG2 4.01Å; F818-T851 HydrophobicContact CZ-CG2 4.09Å; F818-L852 HydrophobicContact CE2-CD2 4.18Å; F818-L852 HydrophobicContact CZ-CD2 3.98Å; F818-L852 HydrophobicContact CZ-CG 4.1Å
819K79.1Confident86.9Confident148 Ų14848.4 Ų48.464%0.64324%0.241SC*.THydrogen-bonded Turntrans-47.9-38.1-177.1-68.5-179.2-179.4177.80114.6N815N815-K819 WeakPolarHBondContact O-CE 3.06Å; N815-K819 WeakPolarHBondContact O-CG 3.36Å
820D79.6Confident86.9Confident90 Ų9048.4 Ų48.448%0.48124%0.241SC..THydrogen-bonded Turntrans-98.4-2.2-173.2-56.2-73.1000113.7F818 T822 K823F818-D820 PolarHBondContact O-N 2.89Å; D820-T822 PolarHBondContact O-N 3.01Å; D820-T822 VanDerWaalsContact O-N 3.11Å; D820-K823 HydrophobicContact CB-CD 4.12Å; D820-K823 WeakPolarHBondContact O-CB 3.44Å; D820-K823 PolarHBondContact O-N 3.43Å; D820-K823 WeakPolarHBondContact OD1-CD 3.29Å; D820-K823 WeakPolarHBondContact OD1-CE 3.47Å; D820-K823 IonicContact OD1-NZ 2.83Å; D820-K823 PolarHBondContact OD1-NZ 3.45Å
821I77.9Confident86.9Confident13 Ų1350.9 Ų50.97%0.06725%0.254CS..THydrogen-bonded Turntrans-64.2-24.8-168.3-151.4169.3000113.6F818 L828 L837 Q844 F848F818-I821 HydrophobicContact CB-CB 4.09Å; F818-I821 HydrophobicContact CB-CD1 4.2Å; F818-I821 HydrophobicContact CB-CG2 4Å; F818-I821 HydrophobicContact CD1-CD1 4.22Å; F818-I821 HydrophobicContact CG-CD1 4.24Å; F818-I821 WeakPolarHBondContact O-CB 3.28Å; F818-I821 VanDerWaalsContact O-CG2 3.24Å; F818-I821 WeakPolarHBondContact O-CG2 3.5Å; F818-I821 PolarHBondContact O-N 3.11Å; I821-L828 HydrophobicContact CG2-CB 4.17Å; I821-L828 HydrophobicContact CG2-CD2 4.24Å; I821-L837 HydrophobicContact CD1-CD1 3.83Å; I821-L837 HydrophobicContact CD1-CD2 4.02Å; I821-L837 HydrophobicContact CG1-CD1 3.87Å; I821-L837 HydrophobicContact CG1-CD2 4.49Å; I821-Q844 HydrophobicContact CG1-CG 3.93Å; I821-Q844 PolarHBondContact O-NE2 3.37Å; I821-Q844 PolarHBondContact O-OE1 3.33Å; I821-F848 HydrophobicContact CD1-CB 4.04Å; I821-F848 HydrophobicContact CD1-CD2 3.43Å; I821-F848 VanDerWaalsContact CD1-CD2 3.43Å; I821-F848 HydrophobicContact CD1-CE2 4.1Å; I821-F848 HydrophobicContact CD1-CG 3.95Å
822T70.7Confident86.7Confident74 Ų7451.8 Ų51.845%0.45426%0.26SS..THydrogen-bonded Turntrans-96.6-4.3179.153.40000114.1D820 G826D820-T822 PolarHBondContact O-N 3.01Å; D820-T822 VanDerWaalsContact O-N 3.11Å; T822-G826 WeakPolarHBondContact CA-O 3.47Å
823K70.4Confident86.5Confident147 Ų14752 Ų5264%0.63926%0.263SS*.THydrogen-bonded Turntrans-68-38.7-178.2-69.6-177.2174.8174.70112.4D820 K825D820-K823 HydrophobicContact CB-CD 4.12Å; D820-K823 WeakPolarHBondContact O-CB 3.44Å; D820-K823 PolarHBondContact O-N 3.43Å; D820-K823 WeakPolarHBondContact OD1-CD 3.29Å; D820-K823 WeakPolarHBondContact OD1-CE 3.47Å; D820-K823 IonicContact OD1-NZ 2.83Å; D820-K823 PolarHBondContact OD1-NZ 3.45Å; K823-K825 PolarHBondContact O-N 3.4Å
824N66.5Low86.5Confident85 Ų8553.7 Ų53.746%0.45527%0.271SS..THydrogen-bonded Turntrans-83.742-175.5-65.20.1000113.1G826 P840 D841N824-G826 PolarHBondContact O-N 3.23Å; N824-P840 WeakPolarHBondContact O-CD 3.46Å; N824-P840 WeakPolarHBondContact O-CG 3.3Å; N824-D841 PolarHBondContact ND2-OD2 2.99Å
825K74.3Confident86.6Confident160 Ų16053.5 Ų53.570%0.69627%0.27SS*.SBendtrans59.34.7-174.9-53.3175.5-176.2171.20115.9K823K823-K825 PolarHBondContact O-N 3.4Å
826G82.5Confident86.8Confident7 Ų750.2 Ų50.27%0.07225%0.253CS..  trans-75.6160.7173.400000113T822 N824 I838T822-G826 WeakPolarHBondContact CA-O 3.47Å; N824-G826 PolarHBondContact O-N 3.23Å; G826-I838 CarbonylContact C-O 3.55Å; G826-I838 WeakPolarHBondContact CA-O 3.32Å
827C92Very high87Confident7 Ų746.8 Ų46.85%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-128.7138170.276.50000111.8V651 L655 I838V651-C827 HydrophobicContact CG1-CB 3.84Å; L655-C827 HydrophobicContact CD1-CB 4.21Å; L655-C827 HydrophobicContact CD2-CB 3.86Å; C827-I838 PolarHBondContact N-O 2.78Å; C827-I838 PolarHBondContact O-N 3.28Å
828L95.3Very high87.2Confident9 Ų943.4 Ų43.45%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-105.5137.8168.6-178.565.2000108.2S640 E814 F818 I821 F835 L837 F848S640-L828 WeakPolarHBondContact CB-O 3.4Å; S640-L828 WeakPolarHBondContact OG-CB 3.42Å; S640-L828 PolarHBondContact OG-O 3.24Å; E814-L828 HydrophobicContact CG-CD2 4.09Å; F818-L828 HydrophobicContact CD2-CD2 4.42Å; I821-L828 HydrophobicContact CG2-CB 4.17Å; I821-L828 HydrophobicContact CG2-CD2 4.24Å; L828-F835 HydrophobicContact CD1-CD1 4.45Å; L828-L837 HydrophobicContact CB-CD1 4.44Å; L828-L837 HydrophobicContact CD1-CB 4.16Å; L828-F848 HydrophobicContact CD1-CE2 3.77Å; L828-F848 HydrophobicContact CD1-CZ 3.6Å; L828-F848 HydrophobicContact CD2-CE2 4.4Å
829M96.3Very high87.4Confident1 Ų142.3 Ų42.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-136136174.2-70.4-177.9-79.700110.1V642 I648 V651 L652 F835 L836 I838 W895V642-M829 HydrophobicContact CG1-CB 4.49Å; V642-M829 HydrophobicContact CG1-CG 4.23Å; V642-M829 HydrophobicContact CG2-CB 4.37Å; I648-M829 HydrophobicContact CG1-SD 4.47Å; I648-M829 HydrophobicContact CG2-SD 4.22Å; V651-M829 HydrophobicContact CB-CG 4.37Å; V651-M829 HydrophobicContact CB-SD 3.94Å; V651-M829 HydrophobicContact CG1-CE 4.44Å; V651-M829 HydrophobicContact CG1-CG 3.93Å; V651-M829 HydrophobicContact CG1-SD 3.83Å; V651-M829 HydrophobicContact CG2-CG 4.42Å; V651-M829 HydrophobicContact CG2-SD 4.43Å; L652-M829 HydrophobicContact CD2-CE 3.99Å; L652-M829 HydrophobicContact CG-CE 4.39Å; M829-F835 CarbonylContact O-C 3.37Å; M829-L836 HydrophobicContact CE-CD2 4.01Å; M829-L836 PolarHBondContact N-O 2.81Å; M829-L836 PolarHBondContact O-N 2.94Å; M829-I838 HydrophobicContact CE-CD1 4.19Å; M829-W895 HydrophobicContact CB-CH2 3.76Å; M829-W895 HydrophobicContact CB-CZ2 4.25Å; M829-W895 HydrophobicContact CB-CZ3 4.39Å; M829-W895 HydrophobicContact SD-CZ3 4.42Å
830R96.3Very high88.1Confident0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-128.9125.7174.9174.5168.747.768.65.8111.7L638 S640 T641 V642 E814 V832 D834 F835L638-R830 PolarHBondContact O-NH2 3.33Å; S640-R830 PolarHBondContact O-N 2.91Å; T641-R830 CarbonylContact C-O 3.54Å; T641-R830 WeakPolarHBondContact CA-O 3.3Å; T641-R830 PolarHBondContact OG1-NH1 3.38Å; T641-R830 PolarHBondContact OG1-NH2 3.36Å; T641-R830 VanDerWaalsContact OG1-NH2 3.07Å; V642-R830 WeakPolarHBondContact CG2-O 3.43Å; V642-R830 PolarHBondContact N-O 2.86Å; E814-R830 VanDerWaalsContact CD-NH2 3.33Å; E814-R830 IonicContact OE1-CZ 3.31Å; E814-R830 IonicContact OE1-NE 3.33Å; E814-R830 PolarHBondContact OE1-NE 2.77Å; E814-R830 IonicContact OE1-NH2 2.69Å; E814-R830 PolarHBondContact OE1-NH2 2.78Å; E814-R830 IonicContact OE2-CZ 2.8Å; E814-R830 IonicContact OE2-NE 1.94Å; E814-R830 IonicContact OE2-NH2 2.71Å; E814-R830 PolarHBondContact OE2-NH2 2.92Å; R830-V832 WeakPolarHBondContact CD-O 3.44Å; R830-V832 WeakPolarHBondContact CG-O 3.37Å; R830-D834 CarbonylContact C-O 3.59Å; R830-D834 WeakPolarHBondContact CA-O 3.49Å; R830-F835 HydrophobicContact CB-CD1 4.35Å; R830-F835 VanDerWaalsContact CD-CZ 3.44Å; R830-F835 HydrophobicContact CG-CD1 4.49Å; R830-F835 HydrophobicContact CG-CD2 4.41Å; R830-F835 HydrophobicContact CG-CE2 4.43Å; R830-F835 HydrophobicContact CG-CG 4.45Å
831L95.1Very high88.7Confident52 Ų5235.1 Ų35.127%0.27218%0.18SC..EExtended strand (participates in β ladder)trans-105.484.1168.1-175.664.7000108.6V642 D833 D834 W895 C896V642-L831 HydrophobicContact CG2-CB 4.45Å; V642-L831 WeakPolarHBondContact O-CD1 3.1Å; L831-D833 PolarHBondContact O-N 2.93Å; L831-D834 PolarHBondContact N-O 2.94Å; L831-D834 PolarHBondContact O-N 3.25Å; L831-W895 HydrophobicContact CB-CH2 4.37Å; L831-W895 HydrophobicContact CB-CZ2 4.18Å; L831-C896 HydrophobicContact CD2-CB 3.97Å; L831-C896 VanDerWaalsContact CD2-SG 3.5Å
832V91.4Very high89.3Confident19 Ų1937.5 Ų37.512%0.11519%0.191CC..THydrogen-bonded Turntrans61.1-87-177.1-1700000113.1Y677 R830Y677-V832 HydrophobicContact CE1-CG1 3.62Å; R830-V832 WeakPolarHBondContact CD-O 3.44Å; R830-V832 WeakPolarHBondContact CG-O 3.37Å
833D92.7Very high90.2Very high42 Ų4240.4 Ų40.423%0.22520%0.199CC..THydrogen-bonded Turntrans-108.3-10.9-176.448.7-27.6000114.2V673 A676 L831V673-D833 HydrophobicContact CB-CB 4.36Å; V673-D833 PolarHBondContact N-O 3Å; A676-D833 HydrophobicContact CB-CB 3.69Å; L831-D833 PolarHBondContact O-N 2.93Å
834D95.6Very high91.2Very high34 Ų3434.6 Ų34.618%0.18217%0.174CC..EExtended strand (participates in β ladder)trans-93.7116.3170.7-95.5-67.9000110.5K670 R830 L831K670-D834 WeakPolarHBondContact CE-OD1 3.36Å; R830-D834 CarbonylContact C-O 3.59Å; R830-D834 WeakPolarHBondContact CA-O 3.49Å; L831-D834 PolarHBondContact N-O 2.94Å; L831-D834 PolarHBondContact O-N 3.25Å
835F96.8Very high92.5Very high0 Ų030.5 Ų30.50%015%0.153CC..EExtended strand (participates in β ladder)trans-100.2147.6171.4-71.3-110.7000111.3K670 V671 V673 Y810 M813 E814 L828 M829 R830 F848 L861 W895K670-F835 WeakPolarHBondContact CA-O 3.46Å; V671-F835 HydrophobicContact CB-CB 4.23Å; V671-F835 PolarHBondContact N-O 3.07Å; V671-F835 VanDerWaalsContact N-O 3.14Å; V671-F835 PolarHBondContact O-N 2.86Å; V673-F835 HydrophobicContact CG2-CD2 4.06Å; V673-F835 HydrophobicContact CG2-CE2 3.68Å; Y810-F835 HydrophobicContact CD2-CE2 4.39Å; Y810-F835 HydrophobicContact CD2-CZ 4.42Å; M813-F835 HydrophobicContact CE-CE1 4.14Å; M813-F835 HydrophobicContact CE-CZ 3.85Å; E814-F835 HydrophobicContact CG-CE1 4.28Å; E814-F835 VanDerWaalsContact OE1-CE1 3.31Å; E814-F835 WeakPolarHBondContact OE1-CE1 3.44Å; L828-F835 HydrophobicContact CD1-CD1 4.45Å; M829-F835 CarbonylContact O-C 3.37Å; R830-F835 HydrophobicContact CB-CD1 4.35Å; R830-F835 VanDerWaalsContact CD-CZ 3.44Å; R830-F835 HydrophobicContact CG-CD1 4.49Å; R830-F835 HydrophobicContact CG-CD2 4.41Å; R830-F835 HydrophobicContact CG-CE2 4.43Å; R830-F835 HydrophobicContact CG-CG 4.45Å; F835-F848 HydrophobicContact CB-CZ 4.48Å; F835-F848 HydrophobicContact CD1-CZ 4.27Å; F835-L861 HydrophobicContact CE2-CD1 4.08Å; F835-L861 HydrophobicContact CZ-CD1 3.98Å; F835-W895 PolarHBondContact O-NE1 3.03Å
836L97.5Very high93.3Very high0 Ų024.9 Ų24.90%013%0.129CC..EExtended strand (participates in β ladder)trans-141.3119.2168.7173.160.7000110.5F668 V669 M829 I838 F893 W895 L900F668-L836 HydrophobicContact CD1-CD1 4.04Å; V669-L836 WeakPolarHBondContact O-CA 3.49Å; M829-L836 HydrophobicContact CE-CD2 4.01Å; M829-L836 PolarHBondContact N-O 2.81Å; M829-L836 PolarHBondContact O-N 2.94Å; L836-I838 HydrophobicContact CD1-CG1 4.22Å; L836-I838 HydrophobicContact CD2-CD1 4.25Å; L836-I838 HydrophobicContact CD2-CG1 4.37Å; L836-I838 HydrophobicContact CG-CG1 4.11Å; L836-F893 HydrophobicContact CD1-CD1 4.29Å; L836-F893 HydrophobicContact CD1-CE1 3.79Å; L836-W895 HydrophobicContact CB-CD2 3.66Å; L836-W895 VanDerWaalsContact CB-CE2 3.48Å; L836-W895 HydrophobicContact CB-CE3 4.29Å; L836-W895 HydrophobicContact CB-CG 3.83Å; L836-W895 HydrophobicContact CB-CZ2 3.98Å; L836-W895 HydrophobicContact CD2-CB 3.99Å; L836-W895 HydrophobicContact CD2-CD2 3.65Å; L836-W895 HydrophobicContact CD2-CE3 3.65Å; L836-W895 HydrophobicContact CD2-CG 3.82Å; L836-W895 HydrophobicContact CD2-CZ3 4.33Å; L836-W895 HydrophobicContact CG-CD2 4.29Å; L836-W895 HydrophobicContact CG-CG 4.34Å; L836-L900 HydrophobicContact CD2-CD1 4.44Å; L836-L900 HydrophobicContact CD2-CD2 4.31Å
837L96.9Very high93.7Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-99.3138.6164.6176.668000109.5F668 V669 I821 L828 T839 F848F668-L837 WeakPolarHBondContact CA-O 3.41Å; V669-L837 HydrophobicContact CB-CB 4.3Å; V669-L837 PolarHBondContact N-O 2.85Å; V669-L837 PolarHBondContact O-N 3.24Å; I821-L837 HydrophobicContact CD1-CD1 3.83Å; I821-L837 HydrophobicContact CD1-CD2 4.02Å; I821-L837 HydrophobicContact CG1-CD1 3.87Å; I821-L837 HydrophobicContact CG1-CD2 4.49Å; L828-L837 HydrophobicContact CB-CD1 4.44Å; L828-L837 HydrophobicContact CD1-CB 4.16Å; L837-T839 HydrophobicContact CD2-CG2 4.01Å; L837-T839 HydrophobicContact CG-CG2 4.11Å; L837-F848 HydrophobicContact CB-CD1 3.89Å; L837-F848 HydrophobicContact CB-CE1 3.72Å; L837-F848 HydrophobicContact CB-CZ 4.23Å; L837-F848 HydrophobicContact CD2-CB 3.72Å; L837-F848 HydrophobicContact CD2-CD1 3.63Å; L837-F848 HydrophobicContact CD2-CD2 4.44Å; L837-F848 HydrophobicContact CD2-CE1 4.33Å; L837-F848 HydrophobicContact CD2-CG 3.69Å; L837-F848 HydrophobicContact CG-CD1 4.41Å
838I95.7Very high93.8Very high1 Ų127.3 Ų27.31%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-128.3123.1167.4-52.8176.8000107.1L652 L666 Y667 F668 G826 C827 M829 L836 L900 L905L652-I838 HydrophobicContact CD2-CD1 4.21Å; L666-I838 HydrophobicContact CB-CG2 4.36Å; L666-I838 HydrophobicContact CD1-CG2 4.05Å; L666-I838 HydrophobicContact CD2-CG2 4.5Å; Y667-I838 WeakPolarHBondContact O-CA 3.37Å; F668-I838 HydrophobicContact CD1-CD1 4.31Å; F668-I838 HydrophobicContact CD1-CG1 3.93Å; F668-I838 HydrophobicContact CD2-CG2 4.22Å; F668-I838 HydrophobicContact CE1-CD1 3.64Å; F668-I838 HydrophobicContact CE1-CG1 3.74Å; F668-I838 HydrophobicContact CE1-CG2 4.43Å; F668-I838 HydrophobicContact CE2-CG2 3.76Å; F668-I838 HydrophobicContact CG-CG1 4.4Å; F668-I838 HydrophobicContact CZ-CD1 3.89Å; F668-I838 HydrophobicContact CZ-CG1 4.05Å; F668-I838 HydrophobicContact CZ-CG2 3.88Å; G826-I838 CarbonylContact C-O 3.55Å; G826-I838 WeakPolarHBondContact CA-O 3.32Å; C827-I838 PolarHBondContact N-O 2.78Å; C827-I838 PolarHBondContact O-N 3.28Å; M829-I838 HydrophobicContact CE-CD1 4.19Å; L836-I838 HydrophobicContact CD1-CG1 4.22Å; L836-I838 HydrophobicContact CD2-CD1 4.25Å; L836-I838 HydrophobicContact CD2-CG1 4.37Å; L836-I838 HydrophobicContact CG-CG1 4.11Å; I838-L900 HydrophobicContact CD1-CD2 4.03Å; I838-L905 HydrophobicContact CD1-CD2 4.3Å; I838-L905 HydrophobicContact CG2-CD2 4.45Å
839T93.9Very high93.7Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-151.3146.9-178.8-179.30000112.1Y667 L837 D841 Q844 A845Y667-T839 WeakPolarHBondContact CB-O 3.15Å; Y667-T839 WeakPolarHBondContact CD2-O 3.41Å; Y667-T839 PolarHBondContact N-O 3.39Å; Y667-T839 PolarHBondContact O-N 2.88Å; L837-T839 HydrophobicContact CD2-CG2 4.01Å; L837-T839 HydrophobicContact CG-CG2 4.11Å; T839-D841 VanDerWaalsContact CG2-O 3.28Å; T839-D841 WeakPolarHBondContact CG2-O 3.43Å; T839-D841 PolarHBondContact O-N 3.36Å; T839-D841 PolarHBondContact OG1-N 3.03Å; T839-Q844 VanDerWaalsContact CB-OE1 3.24Å; T839-Q844 PolarHBondContact OG1-OE1 2.93Å; T839-A845 HydrophobicContact CG2-CB 3.89Å
840P92.6Very high93.5Very high38 Ų3833.6 Ų33.625%0.24717%0.169CC..SBendtrans-73.9-5.8169.132.3-36.3000113.4L666 Y667 N824L666-P840 HydrophobicContact CD2-CB 4.33Å; Y667-P840 WeakPolarHBondContact CD2-O 3.32Å; Y667-P840 VanDerWaalsContact CE2-O 3.32Å; Y667-P840 WeakPolarHBondContact CE2-O 3.4Å; N824-P840 WeakPolarHBondContact O-CD 3.46Å; N824-P840 WeakPolarHBondContact O-CG 3.3Å
841D91.9Very high93.3Very high48 Ų4836 Ų3626%0.25718%0.184SC..  trans-101.2107.3-176.8-179.2-17.7000111.8N824 T839 H843 Q844 A845N824-D841 PolarHBondContact ND2-OD2 2.99Å; T839-D841 VanDerWaalsContact CG2-O 3.28Å; T839-D841 WeakPolarHBondContact CG2-O 3.43Å; T839-D841 PolarHBondContact O-N 3.36Å; T839-D841 PolarHBondContact OG1-N 3.03Å; D841-H843 VanDerWaalsContact C-N 3.33Å; D841-H843 PolarHBondContact O-N 3.07Å; D841-H843 WeakPolarHBondContact OD1-CA 3.47Å; D841-H843 WeakPolarHBondContact OD1-CB 3.31Å; D841-H843 PolarHBondContact OD1-N 2.71Å; D841-Q844 HydrophobicContact CB-CB 3.77Å; D841-Q844 PolarHBondContact O-N 2.64Å; D841-Q844 PolarHBondContact OD1-N 2.74Å; D841-A845 PolarHBondContact O-N 2.93Å
842Q91.4Very high93.3Very high63 Ų6333.6 Ų33.629%0.29417%0.171SC..Hα-helixtrans-66.1-33.5180-168.1176.6-9.300112.7Y667 A845 Q846 F872 Q873Y667-Q842 HydrophobicContact CD1-CB 4.07Å; Y667-Q842 HydrophobicContact CD1-CG 3.93Å; Y667-Q842 HydrophobicContact CD2-CB 3.84Å; Y667-Q842 HydrophobicContact CE1-CB 3.93Å; Y667-Q842 HydrophobicContact CE1-CG 3.85Å; Y667-Q842 HydrophobicContact CE2-CB 3.7Å; Y667-Q842 HydrophobicContact CG-CB 4.03Å; Y667-Q842 HydrophobicContact CG-CG 4.3Å; Q842-A845 PolarHBondContact O-N 2.85Å; Q842-Q846 WeakPolarHBondContact O-CB 3.49Å; Q842-Q846 WeakPolarHBondContact O-CG 3.31Å; Q842-Q846 PolarHBondContact O-N 3.36Å; Q842-F872 HydrophobicContact CG-CD2 4.12Å; Q842-Q873 PolarHBondContact NE2-O 3.13Å
843H89.9Confident93.3Very high135 Ų13535 Ų3563%0.62518%0.177SC*.Hα-helixtrans-71.5-40.1179.7176.4-98.8000110.7D841 Q846 T847D841-H843 VanDerWaalsContact C-N 3.33Å; D841-H843 PolarHBondContact O-N 3.07Å; D841-H843 WeakPolarHBondContact OD1-CA 3.47Å; D841-H843 WeakPolarHBondContact OD1-CB 3.31Å; D841-H843 PolarHBondContact OD1-N 2.71Å; H843-Q846 PolarHBondContact O-N 2.93Å; H843-T847 VanDerWaalsContact O-CB 3.29Å; H843-T847 WeakPolarHBondContact O-CB 3.4Å; H843-T847 PolarHBondContact O-N 3.4Å; H843-T847 PolarHBondContact O-OG1 3.34Å
844Q91.3Very high93.2Very high25 Ų2536.9 Ų36.912%0.11720%0.199CC..Hα-helixtrans-60.8-43.3170.4-175-174.879.600111.5I821 T839 D841 T847 F848I821-Q844 HydrophobicContact CG1-CG 3.93Å; I821-Q844 PolarHBondContact O-NE2 3.37Å; I821-Q844 PolarHBondContact O-OE1 3.33Å; T839-Q844 VanDerWaalsContact CB-OE1 3.24Å; T839-Q844 PolarHBondContact OG1-OE1 2.93Å; D841-Q844 HydrophobicContact CB-CB 3.77Å; D841-Q844 PolarHBondContact O-N 2.64Å; D841-Q844 PolarHBondContact OD1-N 2.74Å; Q844-T847 PolarHBondContact O-N 3.47Å; Q844-F848 WeakPolarHBondContact O-CB 3.22Å; Q844-F848 PolarHBondContact O-N 3.09Å
845A93Very high93Very high0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-62.5-45176.400000112.7V669 T839 D841 Q842 L849 F872V669-A845 HydrophobicContact CG2-CB 3.89Å; T839-A845 HydrophobicContact CG2-CB 3.89Å; D841-A845 PolarHBondContact O-N 2.93Å; Q842-A845 PolarHBondContact O-N 2.85Å; A845-L849 WeakPolarHBondContact O-CB 3.46Å; A845-L849 PolarHBondContact O-N 2.93Å; A845-L849 VanDerWaalsContact O-N 3.1Å; A845-F872 HydrophobicContact CB-CE1 3.84Å; A845-F872 HydrophobicContact CB-CZ 3.68Å
846Q92Very high92.9Very high41 Ų4136.4 Ų36.419%0.19220%0.2CC..Hα-helixtrans-63.6-42.2174.7-75.2177.9-700112Q842 H843 L849 K850 F872 Q873Q842-Q846 WeakPolarHBondContact O-CB 3.49Å; Q842-Q846 WeakPolarHBondContact O-CG 3.31Å; Q842-Q846 PolarHBondContact O-N 3.36Å; H843-Q846 PolarHBondContact O-N 2.93Å; Q846-L849 PolarHBondContact O-N 3Å; Q846-K850 WeakPolarHBondContact O-CB 3.42Å; Q846-K850 PolarHBondContact O-N 2.68Å; Q846-F872 HydrophobicContact CG-CD2 4.48Å; Q846-F872 HydrophobicContact CG-CE2 3.67Å; Q846-F872 HydrophobicContact CG-CZ 4.47Å; Q846-Q873 PolarHBondContact NE2-O 3.21Å
847T91.4Very high92.6Very high62 Ų6240.9 Ų40.938%0.3823%0.229SC..Hα-helixtrans-63.9-46.8178.7-61.10000111.8H843 Q844 L849 K850 T851H843-T847 VanDerWaalsContact O-CB 3.29Å; H843-T847 WeakPolarHBondContact O-CB 3.4Å; H843-T847 PolarHBondContact O-N 3.4Å; H843-T847 PolarHBondContact O-OG1 3.34Å; Q844-T847 PolarHBondContact O-N 3.47Å; T847-L849 PolarHBondContact O-N 3.14Å; T847-K850 PolarHBondContact O-N 3Å; T847-T851 WeakPolarHBondContact O-CB 3.39Å; T847-T851 PolarHBondContact O-N 2.97Å; T847-T851 PolarHBondContact O-OG1 2.84Å; T847-T851 VanDerWaalsContact O-OG1 3.08Å
848F93.4Very high92.5Very high3 Ų347.4 Ų47.41%0.01326%0.259CS..Hα-helixtrans-58.1-46.5175.2172.8-103.2000111.9V669 F818 I821 L828 F835 L837 Q844 L852V669-F848 HydrophobicContact CB-CD1 4.02Å; V669-F848 HydrophobicContact CB-CE1 4.17Å; V669-F848 HydrophobicContact CG1-CD1 3.95Å; V669-F848 HydrophobicContact CG1-CE1 4.06Å; V669-F848 HydrophobicContact CG2-CD1 4.45Å; F818-F848 HydrophobicContact CD1-CD2 4.09Å; F818-F848 HydrophobicContact CD2-CD2 4.27Å; F818-F848 HydrophobicContact CD2-CE2 4.08Å; F818-F848 AromaticContact CE1-CD2 3.75Å; F818-F848 HydrophobicContact CE1-CD2 3.75Å; F818-F848 HydrophobicContact CE1-CE2 4.38Å; F818-F848 AromaticContact CE2-CD2 3.94Å; F818-F848 HydrophobicContact CE2-CD2 3.94Å; F818-F848 AromaticContact CE2-CE2 3.72Å; F818-F848 HydrophobicContact CE2-CE2 3.72Å; F818-F848 HydrophobicContact CG-CD2 4.36Å; F818-F848 AromaticContact CZ-CD2 3.67Å; F818-F848 HydrophobicContact CZ-CD2 3.67Å; F818-F848 AromaticContact CZ-CE2 3.89Å; F818-F848 HydrophobicContact CZ-CE2 3.89Å; I821-F848 HydrophobicContact CD1-CB 4.04Å; I821-F848 HydrophobicContact CD1-CD2 3.43Å; I821-F848 VanDerWaalsContact CD1-CD2 3.43Å; I821-F848 HydrophobicContact CD1-CE2 4.1Å; I821-F848 HydrophobicContact CD1-CG 3.95Å; L828-F848 HydrophobicContact CD1-CE2 3.77Å; L828-F848 HydrophobicContact CD1-CZ 3.6Å; L828-F848 HydrophobicContact CD2-CE2 4.4Å; F835-F848 HydrophobicContact CB-CZ 4.48Å; F835-F848 HydrophobicContact CD1-CZ 4.27Å; L837-F848 HydrophobicContact CB-CD1 3.89Å; L837-F848 HydrophobicContact CB-CE1 3.72Å; L837-F848 HydrophobicContact CB-CZ 4.23Å; L837-F848 HydrophobicContact CD2-CB 3.72Å; L837-F848 HydrophobicContact CD2-CD1 3.63Å; L837-F848 HydrophobicContact CD2-CD2 4.44Å; L837-F848 HydrophobicContact CD2-CE1 4.33Å; L837-F848 HydrophobicContact CD2-CG 3.69Å; L837-F848 HydrophobicContact CG-CD1 4.41Å; Q844-F848 WeakPolarHBondContact O-CB 3.22Å; Q844-F848 PolarHBondContact O-N 3.09Å; F848-L852 HydrophobicContact CD1-CD1 4.39Å; F848-L852 HydrophobicContact CD2-CD1 4.27Å; F848-L852 HydrophobicContact CE1-CD1 3.8Å; F848-L852 HydrophobicContact CE2-CD1 3.66Å; F848-L852 HydrophobicContact CE2-CG 4.45Å; F848-L852 HydrophobicContact CZ-CD1 3.39Å; F848-L852 PolarHBondContact O-N 3.3Å; F848-L852 VanDerWaalsContact O-N 3.12Å
849L93.4Very high92.4Very high1 Ų147.5 Ų47.51%0.00526%0.26CS..Hα-helixtrans-64.1-46.3178.5179.957.9000112.1V669 V671 A845 Q846 T847 T851 L852 L853 V868 V870 L874 V878V669-L849 HydrophobicContact CG1-CB 3.96Å; V669-L849 HydrophobicContact CG1-CD1 3.91Å; V669-L849 HydrophobicContact CG1-CG 4.33Å; V671-L849 HydrophobicContact CG2-CD1 4.18Å; A845-L849 WeakPolarHBondContact O-CB 3.46Å; A845-L849 PolarHBondContact O-N 2.93Å; A845-L849 VanDerWaalsContact O-N 3.1Å; Q846-L849 PolarHBondContact O-N 3Å; T847-L849 PolarHBondContact O-N 3.14Å; L849-T851 PolarHBondContact O-N 3.08Å; L849-L852 PolarHBondContact O-N 2.98Å; L849-L853 HydrophobicContact CD1-CD1 3.77Å; L849-L853 HydrophobicContact CD1-CD2 4.44Å; L849-L853 HydrophobicContact CD1-CG 3.78Å; L849-L853 HydrophobicContact CD2-CD1 4.31Å; L849-L853 HydrophobicContact CG-CD1 3.71Å; L849-L853 HydrophobicContact CG-CG 4.17Å; L849-L853 WeakPolarHBondContact O-CB 3.36Å; L849-L853 WeakPolarHBondContact O-CG 3.48Å; L849-L853 PolarHBondContact O-N 2.95Å; L849-V868 HydrophobicContact CD1-CG1 3.64Å; L849-V870 HydrophobicContact CD2-CG1 3.8Å; L849-L874 HydrophobicContact CD2-CD2 3.64Å; L849-V878 HydrophobicContact CD2-CG1 4.33Å
850K91.9Very high92.4Very high142 Ų14247.6 Ų47.662%0.61726%0.26SS*.Hα-helixtrans-58.5-46.1179.1-175.1-179.4178.5-176.10111.4Q846 T847 L852 L853 A854 V878Q846-K850 WeakPolarHBondContact O-CB 3.42Å; Q846-K850 PolarHBondContact O-N 2.68Å; T847-K850 PolarHBondContact O-N 3Å; K850-L852 PolarHBondContact O-N 2.84Å; K850-L853 PolarHBondContact O-N 3.39Å; K850-A854 PolarHBondContact O-N 2.84Å; K850-A854 VanDerWaalsContact O-N 3.08Å; K850-V878 HydrophobicContact CB-CG2 4.48Å; K850-V878 HydrophobicContact CG-CG2 4.38Å
851T92.4Very high92.4Very high51 Ų5145.8 Ų45.831%0.31325%0.248SC..Hα-helixtrans-62.2-39.9177.8-63.90000112.5L817 F818 T847 L849L817-T851 HydrophobicContact CD1-CG2 4.44Å; F818-T851 HydrophobicContact CE1-CG2 4.01Å; F818-T851 HydrophobicContact CZ-CG2 4.09Å; T847-T851 WeakPolarHBondContact O-CB 3.39Å; T847-T851 PolarHBondContact O-N 2.97Å; T847-T851 PolarHBondContact O-OG1 2.84Å; T847-T851 VanDerWaalsContact O-OG1 3.08Å; L849-T851 PolarHBondContact O-N 3.08Å
852L93.4Very high92.5Very high0 Ų048.2 Ų48.20%026%0.259CS..Hα-helixtrans-76.6-35.9177.2-68.5-178.5000113V671 M813 F818 F848 L849 K850 A854 G855 V856 L861 V863V671-L852 HydrophobicContact CB-CD1 4.17Å; V671-L852 HydrophobicContact CG1-CB 4.43Å; V671-L852 HydrophobicContact CG1-CD1 4.16Å; V671-L852 HydrophobicContact CG2-CB 4.48Å; V671-L852 HydrophobicContact CG2-CD1 3.96Å; M813-L852 HydrophobicContact CE-CD2 4.31Å; F818-L852 HydrophobicContact CE2-CD2 4.18Å; F818-L852 HydrophobicContact CZ-CD2 3.98Å; F818-L852 HydrophobicContact CZ-CG 4.1Å; F848-L852 HydrophobicContact CD1-CD1 4.39Å; F848-L852 HydrophobicContact CD2-CD1 4.27Å; F848-L852 HydrophobicContact CE1-CD1 3.8Å; F848-L852 HydrophobicContact CE2-CD1 3.66Å; F848-L852 HydrophobicContact CE2-CG 4.45Å; F848-L852 HydrophobicContact CZ-CD1 3.39Å; F848-L852 PolarHBondContact O-N 3.3Å; F848-L852 VanDerWaalsContact O-N 3.12Å; L849-L852 PolarHBondContact O-N 2.98Å; K850-L852 PolarHBondContact O-N 2.84Å; L852-A854 VanDerWaalsContact C-N 3.35Å; L852-A854 PolarHBondContact O-N 3.34Å; L852-G855 WeakPolarHBondContact O-CA 3.35Å; L852-G855 PolarHBondContact O-N 2.61Å; L852-V856 HydrophobicContact CD2-CG2 4.43Å; L852-L861 HydrophobicContact CD2-CD1 3.97Å; L852-L861 HydrophobicContact CD2-CD2 4.04Å; L852-V863 HydrophobicContact CB-CG2 4.06Å; L852-V863 WeakPolarHBondContact O-CG2 3.4Å
853L91.6Very high92.5Very high48 Ų4846 Ų4625%0.25125%0.25SS..Hα-helixtrans-65.5-34.6176.6-77.2174.2000113.1L849 K850 G855 V863 V868 V878 I884L849-L853 HydrophobicContact CD1-CD1 3.77Å; L849-L853 HydrophobicContact CD1-CD2 4.44Å; L849-L853 HydrophobicContact CD1-CG 3.78Å; L849-L853 HydrophobicContact CD2-CD1 4.31Å; L849-L853 HydrophobicContact CG-CD1 3.71Å; L849-L853 HydrophobicContact CG-CG 4.17Å; L849-L853 WeakPolarHBondContact O-CB 3.36Å; L849-L853 WeakPolarHBondContact O-CG 3.48Å; L849-L853 PolarHBondContact O-N 2.95Å; K850-L853 PolarHBondContact O-N 3.39Å; L853-G855 PolarHBondContact O-N 2.99Å; L853-V863 HydrophobicContact CD2-CG1 4.03Å; L853-V868 HydrophobicContact CD2-CG2 4.24Å; L853-V878 HydrophobicContact CD1-CG1 3.67Å; L853-I884 HydrophobicContact CD1-CD1 3.74Å; L853-I884 HydrophobicContact CD2-CD1 4.5Å
854A91.1Very high92.4Very high82 Ų8241.2 Ų41.268%0.67823%0.229SC*.THydrogen-bonded Turntrans-63.6-16.2170.100000113.1K850 L852K850-A854 PolarHBondContact O-N 2.84Å; K850-A854 VanDerWaalsContact O-N 3.08Å; L852-A854 VanDerWaalsContact C-N 3.35Å; L852-A854 PolarHBondContact O-N 3.34Å
855G92.3Very high92.3Very high11 Ų1142 Ų4211%0.11324%0.237CC..  trans76.4165.7-172.800000112.5L852 L853 L861L852-G855 WeakPolarHBondContact O-CA 3.35Å; L852-G855 PolarHBondContact O-N 2.61Å; L853-G855 PolarHBondContact O-N 2.99Å; G855-L861 WeakPolarHBondContact CA-O 3.38Å
856V94.4Very high92.1Very high14 Ų1448.5 Ų48.59%0.08527%0.267CS..BIsolated β-bridgetrans-127.482.5173.8-160.70000108.9M813 L817 L852 Q858 Y859 G860 L861M813-V856 HydrophobicContact CG-CG1 4.46Å; M813-V856 HydrophobicContact SD-CB 4.15Å; M813-V856 HydrophobicContact SD-CG1 4.38Å; M813-V856 HydrophobicContact SD-CG2 3.97Å; L817-V856 HydrophobicContact CD1-CG1 3.99Å; L817-V856 HydrophobicContact CD1-CG2 3.98Å; L852-V856 HydrophobicContact CD2-CG2 4.43Å; V856-Q858 VanDerWaalsContact C-N 3.26Å; V856-Q858 PolarHBondContact O-N 3.29Å; V856-Q858 VanDerWaalsContact O-N 3.17Å; V856-Y859 HydrophobicContact CG1-CD2 3.64Å; V856-Y859 HydrophobicContact CG1-CE2 4.27Å; V856-Y859 PolarHBondContact O-N 2.86Å; V856-G860 PolarHBondContact O-N 2.81Å; V856-G860 VanDerWaalsContact O-N 3.12Å; V856-L861 HydrophobicContact CB-CB 4.07Å; V856-L861 HydrophobicContact CG2-CB 4.35Å; V856-L861 PolarHBondContact N-O 2.64Å; V856-L861 PolarHBondContact O-N 3.42Å; V856-L861 VanDerWaalsContact O-N 3.14Å
857P91.8Very high92Very high94 Ų9450.6 Ų50.661%0.6128%0.275SS*.G310 helixtrans-57-35.1-170.5-28.736.5000114.3Y859 G860P857-Y859 PolarHBondContact O-N 3.16Å; P857-G860 PolarHBondContact O-N 2.85Å
858Q93.8Very high92.1Very high137 Ų13747.7 Ų47.764%0.6426%0.257SS*.G310 helixtrans-56.5-32.1176.9-63.8-1792.100113.4K684 V856K684-Q858 VanDerWaalsContact CB-O 3.29Å; K684-Q858 WeakPolarHBondContact CB-O 3.33Å; K684-Q858 WeakPolarHBondContact CG-O 3.43Å; V856-Q858 VanDerWaalsContact C-N 3.26Å; V856-Q858 PolarHBondContact O-N 3.29Å; V856-Q858 VanDerWaalsContact O-N 3.17Å
859Y94.6Very high92.2Very high3 Ų347.8 Ų47.81%0.01226%0.259CS..G310 helixtrans-105.33.5177.1-60.4-97.9000111.9P681 K684 C809 H812 M813 V856 P857 L861P681-Y859 VanDerWaalsContact CD-C 3.45Å; K684-Y859 HydrophobicContact CD-CE1 4.33Å; K684-Y859 WeakPolarHBondContact CE-OH 3.41Å; K684-Y859 HydrophobicContact CG-CD1 3.93Å; K684-Y859 HydrophobicContact CG-CE1 4.02Å; K684-Y859 HydrophobicContact CG-CG 4.41Å; C809-Y859 WeakPolarHBondContact O-CD1 3.17Å; H812-Y859 PolarHBondContact CE1-OH 2.75Å; H812-Y859 VanDerWaalsContact CE1-OH 3.3Å; H812-Y859 AromaticContact ND1-CE1 3.66Å; H812-Y859 AromaticContact ND1-CZ 3.7Å; H812-Y859 PolarHBondContact ND1-OH 3.14Å; M813-Y859 HydrophobicContact CB-CD1 3.71Å; M813-Y859 HydrophobicContact CB-CD2 4.17Å; M813-Y859 HydrophobicContact CB-CE1 3.69Å; M813-Y859 HydrophobicContact CB-CE2 4.15Å; M813-Y859 HydrophobicContact CB-CG 3.95Å; M813-Y859 HydrophobicContact CG-CD1 4.17Å; M813-Y859 HydrophobicContact CG-CD2 3.73Å; M813-Y859 HydrophobicContact CG-CE1 4.3Å; M813-Y859 HydrophobicContact CG-CE2 3.87Å; M813-Y859 HydrophobicContact CG-CG 3.88Å; M813-Y859 HydrophobicContact SD-CD2 4.43Å; M813-Y859 HydrophobicContact SD-CG 4.33Å; V856-Y859 HydrophobicContact CG1-CD2 3.64Å; V856-Y859 HydrophobicContact CG1-CE2 4.27Å; V856-Y859 PolarHBondContact O-N 2.86Å; P857-Y859 PolarHBondContact O-N 3.16Å; Y859-L861 PolarHBondContact O-N 3.3Å
860G92.2Very high92.3Very high1 Ų147.7 Ų47.71%0.0126%0.258CS..THydrogen-bonded Turntrans62.221.5-174.400000114.3S679 V856 P857 M862S679-G860 WeakPolarHBondContact CB-O 3.12Å; S679-G860 PolarHBondContact OG-O 3.23Å; V856-G860 PolarHBondContact O-N 2.81Å; V856-G860 VanDerWaalsContact O-N 3.12Å; P857-G860 PolarHBondContact O-N 2.85Å; G860-M862 PolarHBondContact O-N 3.35Å
861L94.4Very high92.5Very high0 Ų041.2 Ų41.20%023%0.23CC..BIsolated β-bridgetrans-76.9118.9177.8-170.1155.9000109.1V673 Y810 M813 F835 L852 G855 V856 Y859 V863V673-L861 HydrophobicContact CG1-CG 4.02Å; V673-L861 HydrophobicContact CG2-CD1 3.96Å; V673-L861 HydrophobicContact CG2-CD2 4.29Å; V673-L861 HydrophobicContact CG2-CG 3.85Å; Y810-L861 HydrophobicContact CE1-CB 4.42Å; M813-L861 HydrophobicContact CE-CD1 3.63Å; M813-L861 HydrophobicContact SD-CB 4.35Å; M813-L861 HydrophobicContact SD-CD1 3.59Å; M813-L861 VanDerWaalsContact SD-CD1 3.59Å; F835-L861 HydrophobicContact CE2-CD1 4.08Å; F835-L861 HydrophobicContact CZ-CD1 3.98Å; L852-L861 HydrophobicContact CD2-CD1 3.97Å; L852-L861 HydrophobicContact CD2-CD2 4.04Å; G855-L861 WeakPolarHBondContact CA-O 3.38Å; V856-L861 HydrophobicContact CB-CB 4.07Å; V856-L861 HydrophobicContact CG2-CB 4.35Å; V856-L861 PolarHBondContact N-O 2.64Å; V856-L861 PolarHBondContact O-N 3.42Å; V856-L861 VanDerWaalsContact O-N 3.14Å; Y859-L861 PolarHBondContact O-N 3.3Å; L861-V863 HydrophobicContact CD2-CG2 3.89Å
862M92.2Very high92.5Very high100 Ų10039.3 Ų39.349%0.49322%0.218SC..  trans-126.5132.2168.5-64.8-57.7-59.600108.4V673 S674 G860V673-M862 CarbonylContact C-O 3.49Å; S674-M862 WeakPolarHBondContact CB-O 3.4Å; S674-M862 PolarHBondContact N-O 3.22Å; G860-M862 PolarHBondContact O-N 3.35Å
863V92.1Very high92.2Very high16 Ų1646.4 Ų46.410%0.09725%0.251CS..BIsolated β-bridgetrans-80.6159.6-179.1171.10000111.4V671 S674 L852 L853 L861 V868V671-V863 HydrophobicContact CG1-CB 4.19Å; V671-V863 HydrophobicContact CG1-CG1 3.79Å; V671-V863 HydrophobicContact CG1-CG2 3.37Å; S674-V863 PolarHBondContact OG-O 2.76Å; S674-V863 VanDerWaalsContact OG-O 3.13Å; L852-V863 HydrophobicContact CB-CG2 4.06Å; L852-V863 WeakPolarHBondContact O-CG2 3.4Å; L853-V863 HydrophobicContact CD2-CG1 4.03Å; L861-V863 HydrophobicContact CD2-CG2 3.89Å; V863-V868 HydrophobicContact CG1-CG2 3.47Å; V863-V868 VanDerWaalsContact CG1-CG2 3.47Å
864N88.5Confident91.7Very high35 Ų3545.2 Ų45.219%0.18725%0.245CC..  trans-103.5102.1162-171.9-43.1000109.7D672 S674 Q866 K867 V868D672-N864 PolarHBondContact O-N 2.78Å; S674-N864 WeakPolarHBondContact OG-CB 3.34Å; S674-N864 PolarHBondContact OG-N 3.27Å; N864-Q866 VanDerWaalsContact C-N 3.3Å; N864-Q866 PolarHBondContact O-N 2.88Å; N864-Q866 PolarHBondContact OD1-N 3.19Å; N864-K867 HydrophobicContact CB-CB 4.32Å; N864-K867 HydrophobicContact CB-CD 4.06Å; N864-K867 HydrophobicContact CB-CG 4.28Å; N864-K867 PolarHBondContact O-N 2.9Å; N864-V868 PolarHBondContact O-N 3.23Å
865P88.8Confident90.7Very high42 Ų4246.9 Ų46.927%0.27324%0.242SC..G310 helixtrans-53.1-43.5-177.3-29.937.5000113.5K867 V868 D883P865-K867 PolarHBondContact O-N 3.31Å; P865-V868 WeakPolarHBondContact O-CB 3.49Å; P865-V868 PolarHBondContact O-N 3.16Å; P865-D883 HydrophobicContact CB-CB 3.61Å
866Q87.8Confident89.5Confident136 Ų13649.5 Ų49.564%0.63627%0.268SS*.G310 helixtrans-63.6-5.6-179.5-65179.9-11.600114.9N864 D883N864-Q866 VanDerWaalsContact C-N 3.3Å; N864-Q866 PolarHBondContact O-N 2.88Å; N864-Q866 PolarHBondContact OD1-N 3.19Å; Q866-D883 WeakPolarHBondContact CA-O 3.26Å; Q866-D883 HydrophobicContact CG-CB 3.84Å; Q866-D883 VanDerWaalsContact CG-CG 3.49Å; Q866-D883 WeakPolarHBondContact CG-OD1 3.45Å; Q866-D883 PolarHBondContact NE2-OD1 3.18Å
867K89.8Confident87.8Confident85 Ų8554 Ų5437%0.3730%0.301SS..G310 helixtrans-119-4.8176-62.6-177.8-175.6177.10113.7K670 D672 N864 P865K670-K867 PolarHBondContact NZ-O 3.42Å; D672-K867 HydrophobicContact CB-CB 3.82Å; D672-K867 HydrophobicContact CB-CD 3.67Å; D672-K867 VanDerWaalsContact OD1-CD 3.26Å; D672-K867 WeakPolarHBondContact OD1-CD 3.39Å; D672-K867 IonicContact OD1-NZ 3.03Å; D672-K867 PolarHBondContact OD1-NZ 3.37Å; D672-K867 WeakPolarHBondContact OD2-CD 3.26Å; D672-K867 IonicContact OD2-NZ 2.83Å; D672-K867 PolarHBondContact OD2-NZ 2.86Å; N864-K867 HydrophobicContact CB-CB 4.32Å; N864-K867 HydrophobicContact CB-CD 4.06Å; N864-K867 HydrophobicContact CB-CG 4.28Å; N864-K867 PolarHBondContact O-N 2.9Å; P865-K867 PolarHBondContact O-N 3.31Å
868V94.3Very high86.3Confident0 Ų051 Ų510%028%0.281CS..  trans-65.3140.4170177.40000108.2K670 L849 L853 V863 N864 P865 I884 R885K670-V868 VanDerWaalsContact O-CA 3.32Å; K670-V868 WeakPolarHBondContact O-CA 3.4Å; K670-V868 WeakPolarHBondContact O-CG1 3.45Å; L849-V868 HydrophobicContact CD1-CG1 3.64Å; L853-V868 HydrophobicContact CD2-CG2 4.24Å; V863-V868 HydrophobicContact CG1-CG2 3.47Å; V863-V868 VanDerWaalsContact CG1-CG2 3.47Å; N864-V868 PolarHBondContact O-N 3.23Å; P865-V868 WeakPolarHBondContact O-CB 3.49Å; P865-V868 PolarHBondContact O-N 3.16Å; V868-I884 HydrophobicContact CB-CG1 4.41Å; V868-I884 HydrophobicContact CB-CG2 4.22Å; V868-I884 HydrophobicContact CG1-CG1 4.41Å; V868-I884 HydrophobicContact CG1-CG2 3.77Å; V868-R885 WeakPolarHBondContact O-CB 2.86Å; V868-R885 PolarHBondContact O-N 2.88Å; V868-R885 VanDerWaalsContact O-N 3.1Å
869A95.4Very high84.5Confident5 Ų546.5 Ų46.54%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-137.8144.2170.400000111.1K670 R885 L887 F893K670-A869 HydrophobicContact CB-CB 4.36Å; K670-A869 PolarHBondContact N-O 3.24Å; K670-A869 PolarHBondContact O-N 2.63Å; A869-R885 VanDerWaalsContact CA-O 3.26Å; A869-R885 WeakPolarHBondContact CA-O 3.25Å; A869-R885 HydrophobicContact CB-CB 4.43Å; A869-L887 HydrophobicContact CB-CD1 4.32Å; A869-F893 HydrophobicContact CB-CE2 4.16Å; A869-F893 HydrophobicContact CB-CZ 3.95Å; A869-F893 WeakPolarHBondContact O-CZ 3.44Å
870V96.1Very high82.7Confident0 Ų050.8 Ų50.80%030%0.301CS..EExtended strand (participates in β ladder)trans-139.3154.4175.3-66.40000110.3F668 V669 L849 F872 L874 I884 R885 M886 L887F668-V870 WeakPolarHBondContact O-CA 3.42Å; V669-V870 HydrophobicContact CG1-CG1 4.25Å; V669-V870 HydrophobicContact CG2-CG1 4.25Å; L849-V870 HydrophobicContact CD2-CG1 3.8Å; V870-F872 HydrophobicContact CB-CD1 4.12Å; V870-F872 HydrophobicContact CB-CE1 3.9Å; V870-F872 HydrophobicContact CB-CZ 4.21Å; V870-F872 HydrophobicContact CG1-CE1 3.94Å; V870-F872 HydrophobicContact CG1-CZ 3.94Å; V870-L874 HydrophobicContact CG1-CD2 4.49Å; V870-L874 HydrophobicContact CG2-CD1 4.16Å; V870-L874 HydrophobicContact CG2-CD2 4.27Å; V870-L874 HydrophobicContact CG2-CG 4.2Å; V870-I884 HydrophobicContact CG2-CG2 4.33Å; V870-R885 PolarHBondContact N-O 2.9Å; V870-M886 HydrophobicContact CG2-CG 4.03Å; V870-M886 CarbonylContact O-C 3.59Å; V870-L887 WeakPolarHBondContact O-CB 3.45Å; V870-L887 PolarHBondContact O-N 2.8Å
871N95.9Very high81.2Confident5 Ų553 Ų533%0.02732%0.315CS..SBendtrans-104.617.117473.1-41.1000113.7L666 F668 L887 P889 F893 T902L666-N871 PolarHBondContact O-ND2 3.12Å; F668-N871 PolarHBondContact N-OD1 2.98Å; N871-L887 CarbonylContact C-O 3.56Å; N871-L887 WeakPolarHBondContact CA-O 3.29Å; N871-P889 PolarHBondContact ND2-O 3.19Å; N871-P889 VanDerWaalsContact O-CA 3.22Å; N871-P889 WeakPolarHBondContact O-CA 3.41Å; N871-F893 HydrophobicContact CB-CD2 4.44Å; N871-T902 HydrophobicContact CB-CG2 4.32Å
872F92.9Very high79.8Confident11 Ų1159.7 Ų59.75%0.04836%0.357CS..SBendtrans-142.6164.3-172.661.1-92.9000112.8Y667 F668 V669 Q842 A845 Q846 V870 L874Y667-F872 HydrophobicContact CD1-CB 3.62Å; Y667-F872 AromaticContact CD1-CD1 3.73Å; Y667-F872 HydrophobicContact CD1-CD1 3.73Å; Y667-F872 AromaticContact CD1-CG 3.73Å; Y667-F872 HydrophobicContact CD1-CG 3.73Å; Y667-F872 HydrophobicContact CE1-CB 3.97Å; Y667-F872 HydrophobicContact CE1-CG 4.47Å; Y667-F872 HydrophobicContact CG-CD1 4.28Å; F668-F872 WeakPolarHBondContact O-CE1 3.36Å; V669-F872 HydrophobicContact CG2-CE1 3.77Å; V669-F872 HydrophobicContact CG2-CZ 3.85Å; Q842-F872 HydrophobicContact CG-CD2 4.12Å; A845-F872 HydrophobicContact CB-CE1 3.84Å; A845-F872 HydrophobicContact CB-CZ 3.68Å; Q846-F872 HydrophobicContact CG-CD2 4.48Å; Q846-F872 HydrophobicContact CG-CE2 3.67Å; Q846-F872 HydrophobicContact CG-CZ 4.47Å; V870-F872 HydrophobicContact CB-CD1 4.12Å; V870-F872 HydrophobicContact CB-CE1 3.9Å; V870-F872 HydrophobicContact CB-CZ 4.21Å; V870-F872 HydrophobicContact CG1-CE1 3.94Å; V870-F872 HydrophobicContact CG1-CZ 3.94Å; F872-L874 HydrophobicContact CE2-CD2 3.91Å
873Q85.8Confident79.2Confident149 Ų14958.4 Ų58.470%0.69635%0.352SS*.PPolyproline II helixtrans-72.2130.2-179.9-66.8-179.2-3.400111.7Q842 Q846 M886Q842-Q873 PolarHBondContact NE2-O 3.13Å; Q846-Q873 PolarHBondContact NE2-O 3.21Å; Q873-M886 HydrophobicContact CG-CE 4.48Å
874L81.8Confident78.9Confident23 Ų2358.2 Ų58.212%0.1235%0.35CS..PPolyproline II helixtrans-90.5122.3179.1-64.4170.7000109.2L849 V870 F872 V878 I884 M886L849-L874 HydrophobicContact CD2-CD2 3.64Å; V870-L874 HydrophobicContact CG1-CD2 4.49Å; V870-L874 HydrophobicContact CG2-CD1 4.16Å; V870-L874 HydrophobicContact CG2-CD2 4.27Å; V870-L874 HydrophobicContact CG2-CG 4.2Å; F872-L874 HydrophobicContact CE2-CD2 3.91Å; L874-V878 HydrophobicContact CD1-CG1 4.35Å; L874-V878 HydrophobicContact CD2-CG1 4.28Å; L874-I884 HydrophobicContact CD1-CB 4.44Å; L874-I884 HydrophobicContact CD1-CD1 4.13Å; L874-I884 HydrophobicContact CD1-CG2 3.96Å; L874-M886 HydrophobicContact CD1-CG 4.39Å; L874-M886 HydrophobicContact CD1-SD 4.47Å
875L71.1Confident79.1Confident118 Ų11863.9 Ų63.962%0.61837%0.369SS*.PPolyproline II helixtrans-93.7147.5-179.2-64.2172.2000111.6
876G66.1Low79.2Confident65 Ų6566.6 Ų66.667%0.6738%0.379SS*.G310 helixtrans64.2-152.8177.100000114.3V878 G879G876-V878 PolarHBondContact O-N 3.41Å; G876-G879 PolarHBondContact O-N 3.15Å
877S58Low79.4Confident110 Ų11061.4 Ų61.477%0.76936%0.356SS*.G310 helixtrans-55.1-19.6-173.2179.80000115.7S880S877-S880 PolarHBondContact O-OG 3.45Å; S877-S880 VanDerWaalsContact O-OG 3.06Å
878V60.8Low79.6Confident31 Ų3161.2 Ų61.219%0.18836%0.363CS..G310 helixtrans-76.5-26.3175.5-176.30000111.8L849 K850 L853 L874 G876 S880 C881 I884L849-V878 HydrophobicContact CD2-CG1 4.33Å; K850-V878 HydrophobicContact CB-CG2 4.48Å; K850-V878 HydrophobicContact CG-CG2 4.38Å; L853-V878 HydrophobicContact CD1-CG1 3.67Å; L874-V878 HydrophobicContact CD1-CG1 4.35Å; L874-V878 HydrophobicContact CD2-CG1 4.28Å; G876-V878 PolarHBondContact O-N 3.41Å; V878-S880 VanDerWaalsContact C-N 3.32Å; V878-S880 PolarHBondContact O-N 2.92Å; V878-C881 WeakPolarHBondContact O-CB 3.32Å; V878-C881 PolarHBondContact O-N 2.88Å; V878-I884 HydrophobicContact CG1-CD1 4.16Å
879G57.2Low79.4Confident41 Ų4165.1 Ų65.142%0.42339%0.388SS..THydrogen-bonded Turntrans-73.5-15.2-179.500000115.2G876 C881G876-G879 PolarHBondContact O-N 3.15Å; G879-C881 VanDerWaalsContact C-N 3.31Å
880S55.3Low79.3Confident94 Ų9471.3 Ų71.366%0.65742%0.416SS*.THydrogen-bonded Turntrans-83.6-3.9174.458.20000113.8S877 V878 T882S877-S880 PolarHBondContact O-OG 3.45Å; S877-S880 VanDerWaalsContact O-OG 3.06Å; V878-S880 VanDerWaalsContact C-N 3.32Å; V878-S880 PolarHBondContact O-N 2.92Å; S880-T882 PolarHBondContact O-N 2.87Å; S880-T882 VanDerWaalsContact O-N 3.11Å
881C61.6Low79.2Confident46 Ų4672.4 Ų72.431%0.31142%0.424SS..  trans-80.890.5-178.5-170.50000111.7V878 G879 D883 I884V878-C881 WeakPolarHBondContact O-CB 3.32Å; V878-C881 PolarHBondContact O-N 2.88Å; G879-C881 VanDerWaalsContact C-N 3.31Å; C881-D883 PolarHBondContact O-N 2.99Å; C881-I884 HydrophobicContact CB-CD1 3.8Å; C881-I884 HydrophobicContact CB-CG1 4.13Å; C881-I884 PolarHBondContact O-N 3.29Å; C881-I884 VanDerWaalsContact O-N 3.11Å
882T63.8Low79.2Confident141 Ų14175.5 Ų75.587%0.86544%0.44SS*.THydrogen-bonded Turntrans-60-17-176.254.30000115.4S880 I884S880-T882 PolarHBondContact O-N 2.87Å; S880-T882 VanDerWaalsContact O-N 3.11Å; T882-I884 VanDerWaalsContact C-N 3.34Å
883D79.8Confident79.4Confident73 Ų7375 Ų7539%0.3944%0.438SS..THydrogen-bonded Turntrans-75-19.2176.4-80.6-39.9000113.4P865 Q866 C881 R885P865-D883 HydrophobicContact CB-CB 3.61Å; Q866-D883 WeakPolarHBondContact CA-O 3.26Å; Q866-D883 HydrophobicContact CG-CB 3.84Å; Q866-D883 VanDerWaalsContact CG-CG 3.49Å; Q866-D883 WeakPolarHBondContact CG-OD1 3.45Å; Q866-D883 PolarHBondContact NE2-OD1 3.18Å; C881-D883 PolarHBondContact O-N 2.99Å; D883-R885 PolarHBondContact O-N 3.49Å
884I86.8Confident79.9Confident13 Ų1369.7 Ų69.77%0.06742%0.416CS..SBendtrans-78.1124.8-174.2-61.6175000110.8L853 V868 V870 L874 V878 C881 T882 M886L853-I884 HydrophobicContact CD1-CD1 3.74Å; L853-I884 HydrophobicContact CD2-CD1 4.5Å; V868-I884 HydrophobicContact CB-CG1 4.41Å; V868-I884 HydrophobicContact CB-CG2 4.22Å; V868-I884 HydrophobicContact CG1-CG1 4.41Å; V868-I884 HydrophobicContact CG1-CG2 3.77Å; V870-I884 HydrophobicContact CG2-CG2 4.33Å; L874-I884 HydrophobicContact CD1-CB 4.44Å; L874-I884 HydrophobicContact CD1-CD1 4.13Å; L874-I884 HydrophobicContact CD1-CG2 3.96Å; V878-I884 HydrophobicContact CG1-CD1 4.16Å; C881-I884 HydrophobicContact CB-CD1 3.8Å; C881-I884 HydrophobicContact CB-CG1 4.13Å; C881-I884 PolarHBondContact O-N 3.29Å; C881-I884 VanDerWaalsContact O-N 3.11Å; T882-I884 VanDerWaalsContact C-N 3.34Å; I884-M886 PolarHBondContact O-N 3.18Å
885R91.3Very high80.5Confident154 Ų15468.7 Ų68.758%0.58141%0.411SS*.EExtended strand (participates in β ladder)trans-78.892.4178.8-170.8177.3178.3-177.9-2.7112.1V868 A869 V870 D883 L887V868-R885 WeakPolarHBondContact O-CB 2.86Å; V868-R885 PolarHBondContact O-N 2.88Å; V868-R885 VanDerWaalsContact O-N 3.1Å; A869-R885 VanDerWaalsContact CA-O 3.26Å; A869-R885 WeakPolarHBondContact CA-O 3.25Å; A869-R885 HydrophobicContact CB-CB 4.43Å; V870-R885 PolarHBondContact N-O 2.9Å; D883-R885 PolarHBondContact O-N 3.49Å; R885-L887 HydrophobicContact CG-CD2 4.19Å
886M91.5Very high81.5Confident98 Ų9864.8 Ų64.848%0.48339%0.393SS..EExtended strand (participates in β ladder)trans-67.2139.8164.9-62.9179.567.300110.8V870 Q873 L874 I884V870-M886 HydrophobicContact CG2-CG 4.03Å; V870-M886 CarbonylContact O-C 3.59Å; Q873-M886 HydrophobicContact CG-CE 4.48Å; L874-M886 HydrophobicContact CD1-CG 4.39Å; L874-M886 HydrophobicContact CD1-SD 4.47Å; I884-M886 PolarHBondContact O-N 3.18Å
887L93.1Very high82.8Confident28 Ų2863 Ų6315%0.14737%0.374CS..  trans-125.7159177-63175.3000109.5A869 V870 N871 R885 F893A869-L887 HydrophobicContact CB-CD1 4.32Å; V870-L887 WeakPolarHBondContact O-CB 3.45Å; V870-L887 PolarHBondContact O-N 2.8Å; N871-L887 CarbonylContact C-O 3.56Å; N871-L887 WeakPolarHBondContact CA-O 3.29Å; R885-L887 HydrophobicContact CG-CD2 4.19Å; L887-F893 HydrophobicContact CD1-CD2 3.72Å; L887-F893 HydrophobicContact CD1-CE2 3.97Å; L887-F893 HydrophobicContact CD1-CG 4.49Å
888P92.9Very high84.6Confident80 Ų8057.8 Ų57.852%0.51934%0.338SS..  trans-60.2149173.7-22.633.9000112.3H890 C891P888-H890 VanDerWaalsContact C-N 3.26Å; P888-H890 PolarHBondContact O-N 2.79Å; P888-C891 HydrophobicContact CB-CB 4.48Å; P888-C891 WeakPolarHBondContact O-CB 3.36Å; P888-C891 PolarHBondContact O-SG 3.41Å
889P90.3Very high86.3Confident82 Ų8258 Ų5853%0.53234%0.338SS..SBendtrans-51.6-43177.8-29.536.4000113.9N871 T902N871-P889 PolarHBondContact ND2-O 3.19Å; N871-P889 VanDerWaalsContact O-CA 3.22Å; N871-P889 WeakPolarHBondContact O-CA 3.41Å; P889-T902 WeakPolarHBondContact O-CB 3.24Å; P889-T902 PolarHBondContact O-OG1 3.42Å
890H92.7Very high88.2Confident135 Ų13556.1 Ų56.163%0.62532%0.318SS*.SBendtrans-100.4104.8171.6-55.3-49.5000109.5P888 T902 H903P888-H890 VanDerWaalsContact C-N 3.26Å; P888-H890 PolarHBondContact O-N 2.79Å; H890-T902 WeakPolarHBondContact CA-OG1 3.42Å; H890-H903 AromaticContact CE1-CD2 3.99Å
891C94.4Very high90.1Very high24 Ų2453.2 Ų53.216%0.16230%0.295CS..SBendtrans-153.6170179.968.50000113P888 F893 T902P888-C891 HydrophobicContact CB-CB 4.48Å; P888-C891 WeakPolarHBondContact O-CB 3.36Å; P888-C891 PolarHBondContact O-SG 3.41Å; C891-F893 PolarHBondContact O-N 2.8Å; C891-T902 PolarHBondContact N-OG1 3.19Å; C891-T902 PolarHBondContact O-N 2.81Å; C891-T902 VanDerWaalsContact O-N 3.08Å; C891-T902 PolarHBondContact O-OG1 2.79Å
892L95.8Very high91.7Very high70 Ų7051.1 Ų51.137%0.36628%0.281SS..EExtended strand (participates in β ladder)trans-88.487.4169.6-71.3-177.8000109.8L899 L900 D901 Y908L892-L899 HydrophobicContact CB-CB 4.13Å; L892-L899 HydrophobicContact CB-CD1 4.43Å; L892-L899 HydrophobicContact CD1-CD1 4.45Å; L892-L900 CarbonylContact C-O 3.47Å; L892-D901 HydrophobicContact CD2-CB 4.13Å; L892-Y908 HydrophobicContact CD2-CD2 3.66Å; L892-Y908 HydrophobicContact CD2-CE2 3.69Å
893F97.1Very high93Very high0 Ų048.4 Ų48.40%026%0.258CS..EExtended strand (participates in β ladder)trans-72.6123.2-170.5-166.9-84.7000112.7F668 K670 L836 A869 N871 L887 C891 L899 L900 T902F668-F893 HydrophobicContact CB-CD1 4.25Å; F668-F893 HydrophobicContact CB-CD2 3.7Å; F668-F893 HydrophobicContact CB-CE1 4.1Å; F668-F893 HydrophobicContact CB-CE2 3.54Å; F668-F893 HydrophobicContact CB-CG 4.06Å; F668-F893 HydrophobicContact CB-CZ 3.75Å; F668-F893 HydrophobicContact CD1-CB 3.98Å; F668-F893 AromaticContact CD1-CD1 3.63Å; F668-F893 HydrophobicContact CD1-CD1 3.63Å; F668-F893 HydrophobicContact CD1-CD2 4.18Å; F668-F893 HydrophobicContact CD1-CE1 4.12Å; F668-F893 AromaticContact CD1-CG 3.66Å; F668-F893 HydrophobicContact CD1-CG 3.66Å; F668-F893 HydrophobicContact CE1-CB 4.3Å; F668-F893 HydrophobicContact CE1-CD1 4.45Å; F668-F893 HydrophobicContact CE1-CG 4.43Å; F668-F893 HydrophobicContact CG-CD1 4.36Å; F668-F893 HydrophobicContact CG-CD2 4.18Å; F668-F893 HydrophobicContact CG-CE2 4.46Å; F668-F893 HydrophobicContact CG-CG 4.12Å; K670-F893 HydrophobicContact CB-CE1 3.73Å; K670-F893 HydrophobicContact CB-CZ 3.8Å; L836-F893 HydrophobicContact CD1-CD1 4.29Å; L836-F893 HydrophobicContact CD1-CE1 3.79Å; A869-F893 HydrophobicContact CB-CE2 4.16Å; A869-F893 HydrophobicContact CB-CZ 3.95Å; A869-F893 WeakPolarHBondContact O-CZ 3.44Å; N871-F893 HydrophobicContact CB-CD2 4.44Å; L887-F893 HydrophobicContact CD1-CD2 3.72Å; L887-F893 HydrophobicContact CD1-CE2 3.97Å; L887-F893 HydrophobicContact CD1-CG 4.49Å; C891-F893 PolarHBondContact O-N 2.8Å; F893-L899 CarbonylContact O-C 3.42Å; F893-L899 WeakPolarHBondContact O-CA 3.27Å; F893-L900 WeakPolarHBondContact CB-O 3.32Å; F893-L900 PolarHBondContact N-O 2.94Å; F893-L900 PolarHBondContact O-N 3.02Å; F893-T902 HydrophobicContact CB-CG2 3.74Å; F893-T902 HydrophobicContact CD2-CG2 4.34Å; F893-T902 HydrophobicContact CG-CG2 4.39Å
894P95.9Very high93.6Very high38 Ų3845.7 Ų45.725%0.24725%0.245CC..EExtended strand (participates in β ladder)trans-92.6118.5-169.233.7-33.7000114.2K670 L898 L899K670-P894 VanDerWaalsContact CD-O 3.23Å; K670-P894 WeakPolarHBondContact CD-O 3.23Å; P894-L898 WeakPolarHBondContact CA-O 3.31Å; P894-L899 HydrophobicContact CB-CD2 3.81Å
895W95.7Very high94Very high2 Ų245.1 Ų45.11%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-145.2134.1175.4-17873.7000112.7V642 I648 M829 L831 F835 L836 G897 L898V642-W895 HydrophobicContact CG2-CH2 3.87Å; I648-W895 HydrophobicContact CD1-CH2 4.26Å; I648-W895 HydrophobicContact CD1-CZ3 3.73Å; I648-W895 HydrophobicContact CG1-CH2 4.4Å; I648-W895 HydrophobicContact CG1-CZ3 4Å; M829-W895 HydrophobicContact CB-CH2 3.76Å; M829-W895 HydrophobicContact CB-CZ2 4.25Å; M829-W895 HydrophobicContact CB-CZ3 4.39Å; M829-W895 HydrophobicContact SD-CZ3 4.42Å; L831-W895 HydrophobicContact CB-CH2 4.37Å; L831-W895 HydrophobicContact CB-CZ2 4.18Å; F835-W895 PolarHBondContact O-NE1 3.03Å; L836-W895 HydrophobicContact CB-CD2 3.66Å; L836-W895 VanDerWaalsContact CB-CE2 3.48Å; L836-W895 HydrophobicContact CB-CE3 4.29Å; L836-W895 HydrophobicContact CB-CG 3.83Å; L836-W895 HydrophobicContact CB-CZ2 3.98Å; L836-W895 HydrophobicContact CD2-CB 3.99Å; L836-W895 HydrophobicContact CD2-CD2 3.65Å; L836-W895 HydrophobicContact CD2-CE3 3.65Å; L836-W895 HydrophobicContact CD2-CG 3.82Å; L836-W895 HydrophobicContact CD2-CZ3 4.33Å; L836-W895 HydrophobicContact CG-CD2 4.29Å; L836-W895 HydrophobicContact CG-CG 4.34Å; W895-G897 PolarHBondContact O-N 3.32Å; W895-L898 PolarHBondContact N-O 2.95Å; W895-L898 WeakPolarHBondContact O-CA 3.2Å; W895-L898 WeakPolarHBondContact O-CB 3.47Å; W895-L898 PolarHBondContact O-N 3.38Å
896C92.1Very high94.2Very high36 Ų3638.1 Ų38.124%0.24322%0.216CC..THydrogen-bonded Turntrans51.425.7179.6-67.80000115.5L831 L898L831-C896 HydrophobicContact CD2-CB 3.97Å; L831-C896 VanDerWaalsContact CD2-SG 3.5Å; C896-L898 VanDerWaalsContact C-N 3.28Å; C896-L898 PolarHBondContact O-N 2.88Å
897G92.1Very high94.5Very high26 Ų2633.5 Ų33.527%0.26819%0.193SC..THydrogen-bonded Turntrans69.920.8-172.300000114.1W895 K909 D910W895-G897 PolarHBondContact O-N 3.32Å; G897-K909 WeakPolarHBondContact O-CD 3.36Å; G897-K909 WeakPolarHBondContact O-CE 3.48Å; G897-K909 PolarHBondContact O-NZ 3.36Å; G897-D910 VanDerWaalsContact C-CB 3.49Å; G897-D910 VanDerWaalsContact O-CB 3.23Å; G897-D910 WeakPolarHBondContact O-CB 3.45Å; G897-D910 PolarHBondContact O-N 2.89Å
898L95.9Very high94.6Very high2 Ų232.9 Ų32.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-97.6159.5158.5-53.5175.7000107.9M645 I648 P894 W895 C896 L900 V907 Y908 K909 L950 F951M645-L898 HydrophobicContact CE-CD2 4.18Å; I648-L898 HydrophobicContact CD1-CD1 4.14Å; I648-L898 HydrophobicContact CG2-CD1 3.93Å; P894-L898 WeakPolarHBondContact CA-O 3.31Å; W895-L898 PolarHBondContact N-O 2.95Å; W895-L898 WeakPolarHBondContact O-CA 3.2Å; W895-L898 WeakPolarHBondContact O-CB 3.47Å; W895-L898 PolarHBondContact O-N 3.38Å; C896-L898 VanDerWaalsContact C-N 3.28Å; C896-L898 PolarHBondContact O-N 2.88Å; L898-L900 HydrophobicContact CB-CD1 4.03Å; L898-V907 HydrophobicContact CB-CG1 4.35Å; L898-V907 HydrophobicContact CD1-CG1 4.27Å; L898-V907 HydrophobicContact CD2-CG1 4.34Å; L898-Y908 WeakPolarHBondContact CA-O 3.5Å; L898-K909 HydrophobicContact CD2-CD 4.42Å; L898-L950 HydrophobicContact CD1-CD2 3.97Å; L898-L950 HydrophobicContact CD2-CD2 3.93Å; L898-F951 HydrophobicContact CD2-CE1 3.75Å; L898-F951 HydrophobicContact CD2-CZ 3.57Å
899L97Very high94.7Very high35 Ų3530.9 Ų30.918%0.18317%0.172CC..EExtended strand (participates in β ladder)trans-119.1127.6161.5-50.2172.3000106.6L892 F893 P894 Y908 D910L892-L899 HydrophobicContact CB-CB 4.13Å; L892-L899 HydrophobicContact CB-CD1 4.43Å; L892-L899 HydrophobicContact CD1-CD1 4.45Å; F893-L899 CarbonylContact O-C 3.42Å; F893-L899 WeakPolarHBondContact O-CA 3.27Å; P894-L899 HydrophobicContact CB-CD2 3.81Å; L899-Y908 PolarHBondContact N-O 3.02Å; L899-Y908 PolarHBondContact O-N 3.43Å; L899-D910 HydrophobicContact CD2-CB 4.04Å; L899-D910 HydrophobicContact CG-CB 4Å
900L96.9Very high94.8Very high1 Ų128.4 Ų28.41%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-108.7128.7177.2-65.683.2000108.1L652 F668 L836 I838 L892 F893 L898 T902L652-L900 HydrophobicContact CD1-CD2 3.9Å; L652-L900 HydrophobicContact CD2-CD2 4.1Å; F668-L900 HydrophobicContact CE1-CB 4.03Å; F668-L900 HydrophobicContact CE1-CD2 4.31Å; L836-L900 HydrophobicContact CD2-CD1 4.44Å; L836-L900 HydrophobicContact CD2-CD2 4.31Å; I838-L900 HydrophobicContact CD1-CD2 4.03Å; L892-L900 CarbonylContact C-O 3.47Å; F893-L900 WeakPolarHBondContact CB-O 3.32Å; F893-L900 PolarHBondContact N-O 2.94Å; F893-L900 PolarHBondContact O-N 3.02Å; L898-L900 HydrophobicContact CB-CD1 4.03Å; L900-T902 PolarHBondContact O-N 3.38Å
901D95.8Very high94.6Very high34 Ų3424.7 Ų24.718%0.18214%0.135CC..EExtended strand (participates in β ladder)trans-66.8120.9167.4177.8-9.4000109.3L892 H903 S904 L905 D906L892-D901 HydrophobicContact CD2-CB 4.13Å; D901-H903 PolarHBondContact O-N 3.19Å; D901-H903 WeakPolarHBondContact OD1-CB 3.41Å; D901-H903 PolarHBondContact OD1-N 2.96Å; D901-S904 WeakPolarHBondContact CB-OG 3.15Å; D901-S904 PolarHBondContact OD1-N 3.03Å; D901-S904 VanDerWaalsContact OD2-CB 3.32Å; D901-S904 WeakPolarHBondContact OD2-CB 3.16Å; D901-S904 PolarHBondContact OD2-OG 3.35Å; D901-L905 VanDerWaalsContact O-CA 3.26Å; D901-L905 WeakPolarHBondContact O-CA 3.41Å; D901-L905 PolarHBondContact O-N 2.8Å; D901-D906 HydrophobicContact CB-CB 4.2Å; D901-D906 PolarHBondContact N-O 3.27Å
902T94.9Very high94.3Very high2 Ų227 Ų271%0.01215%0.152CC..THydrogen-bonded Turntrans-69.4-18.9-178.955.70000114F668 N871 P889 H890 C891 F893 L900F668-T902 HydrophobicContact CD1-CG2 4.29Å; F668-T902 HydrophobicContact CD2-CG2 3.69Å; F668-T902 HydrophobicContact CE1-CG2 4.32Å; F668-T902 HydrophobicContact CE2-CG2 3.72Å; F668-T902 HydrophobicContact CG-CG2 3.99Å; F668-T902 HydrophobicContact CZ-CG2 4.05Å; N871-T902 HydrophobicContact CB-CG2 4.32Å; P889-T902 WeakPolarHBondContact O-CB 3.24Å; P889-T902 PolarHBondContact O-OG1 3.42Å; H890-T902 WeakPolarHBondContact CA-OG1 3.42Å; C891-T902 PolarHBondContact N-OG1 3.19Å; C891-T902 PolarHBondContact O-N 2.81Å; C891-T902 VanDerWaalsContact O-N 3.08Å; C891-T902 PolarHBondContact O-OG1 2.79Å; F893-T902 HydrophobicContact CB-CG2 3.74Å; F893-T902 HydrophobicContact CD2-CG2 4.34Å; F893-T902 HydrophobicContact CG-CG2 4.39Å; L900-T902 PolarHBondContact O-N 3.38Å
903H91.8Very high93.7Very high83 Ų8326.4 Ų26.438%0.38415%0.153SC..THydrogen-bonded Turntrans-90-54.9175.8-177.9-86.9000111.6Q659 H890 D901Q659-H903 WeakPolarHBondContact CG-O 3.4Å; Q659-H903 PolarHBondContact NE2-O 3.18Å; H890-H903 AromaticContact CE1-CD2 3.99Å; D901-H903 PolarHBondContact O-N 3.19Å; D901-H903 WeakPolarHBondContact OD1-CB 3.41Å; D901-H903 PolarHBondContact OD1-N 2.96Å
904S92.3Very high93.1Very high17 Ų1728.7 Ų28.712%0.11916%0.162CC..THydrogen-bonded Turntrans-93.6-14.1-171.675.20000115.2K660 D901 D906K660-S904 WeakPolarHBondContact CE-O 3.26Å; D901-S904 WeakPolarHBondContact CB-OG 3.15Å; D901-S904 PolarHBondContact OD1-N 3.03Å; D901-S904 VanDerWaalsContact OD2-CB 3.32Å; D901-S904 WeakPolarHBondContact OD2-CB 3.16Å; D901-S904 PolarHBondContact OD2-OG 3.35Å; S904-D906 PolarHBondContact O-N 2.8Å; S904-D906 VanDerWaalsContact OG-CB 3.3Å; S904-D906 WeakPolarHBondContact OG-CB 3.46Å; S904-D906 VanDerWaalsContact OG-CG 3.29Å; S904-D906 PolarHBondContact OG-N 3.44Å; S904-D906 VanDerWaalsContact OG-N 3.11Å
905L94.8Very high92.6Very high1 Ų130.7 Ų30.71%0.00518%0.182CC..  trans59.916.8-166.3-60.2176.7000115.2L655 A656 Q659 L666 F668 I838 D901 V907L655-L905 HydrophobicContact CB-CD1 4.08Å; A656-L905 HydrophobicContact CB-CB 4Å; A656-L905 HydrophobicContact CB-CD1 4.49Å; Q659-L905 HydrophobicContact CB-CD1 3.93Å; Q659-L905 HydrophobicContact CG-CD1 4.03Å; Q659-L905 HydrophobicContact CG-CG 4.13Å; L666-L905 HydrophobicContact CD1-CD1 4.03Å; L666-L905 HydrophobicContact CD1-CD2 3.88Å; L666-L905 HydrophobicContact CD1-CG 3.97Å; F668-L905 HydrophobicContact CE2-CD2 4.43Å; F668-L905 HydrophobicContact CZ-CD2 3.7Å; I838-L905 HydrophobicContact CD1-CD2 4.3Å; I838-L905 HydrophobicContact CG2-CD2 4.45Å; D901-L905 VanDerWaalsContact O-CA 3.26Å; D901-L905 WeakPolarHBondContact O-CA 3.41Å; D901-L905 PolarHBondContact O-N 2.8Å; L905-V907 WeakPolarHBondContact O-CG2 3.16Å; L905-V907 PolarHBondContact O-N 3.44Å
906D96.1Very high92Very high7 Ų734.9 Ų34.94%0.03723%0.226CC..  trans-60.1131.9167.8-80.5-13.8000111.5K660 D901 S904 Y908 N957 S958 A961K660-D906 IonicContact NZ-OD1 3.55Å; K660-D906 PolarHBondContact NZ-OD1 3.45Å; D901-D906 HydrophobicContact CB-CB 4.2Å; D901-D906 PolarHBondContact N-O 3.27Å; S904-D906 PolarHBondContact O-N 2.8Å; S904-D906 VanDerWaalsContact OG-CB 3.3Å; S904-D906 WeakPolarHBondContact OG-CB 3.46Å; S904-D906 VanDerWaalsContact OG-CG 3.29Å; S904-D906 PolarHBondContact OG-N 3.44Å; S904-D906 VanDerWaalsContact OG-N 3.11Å; D906-Y908 HydrophobicContact CB-CE2 3.79Å; D906-N957 VanDerWaalsContact OD1-CA 3.22Å; D906-N957 WeakPolarHBondContact OD1-CA 3.36Å; D906-S958 PolarHBondContact OD1-N 3.13Å; D906-S958 WeakPolarHBondContact OD2-CB 3.08Å; D906-S958 PolarHBondContact OD2-OG 2.79Å; D906-A961 HydrophobicContact CB-CB 3.81Å; D906-A961 VanDerWaalsContact OD2-CB 3.24Å; D906-A961 WeakPolarHBondContact OD2-CB 3.31Å
907V96.6Very high91.6Very high0 Ų034.9 Ų34.90%022%0.224CC..EExtended strand (participates in β ladder)trans-106.9116.4-172.9-169.70000110.4L652 L898 L905 L950 F951 N957 N965L652-V907 HydrophobicContact CD1-CG2 3.61Å; L898-V907 HydrophobicContact CB-CG1 4.35Å; L898-V907 HydrophobicContact CD1-CG1 4.27Å; L898-V907 HydrophobicContact CD2-CG1 4.34Å; L905-V907 WeakPolarHBondContact O-CG2 3.16Å; L905-V907 PolarHBondContact O-N 3.44Å; V907-L950 HydrophobicContact CB-CD1 4.26Å; V907-L950 HydrophobicContact CB-CG 4.37Å; V907-L950 HydrophobicContact CG1-CD1 4.01Å; V907-L950 HydrophobicContact CG1-CD2 4.22Å; V907-L950 HydrophobicContact CG1-CG 3.91Å; V907-L950 HydrophobicContact CG2-CD1 4.09Å; V907-F951 HydrophobicContact CG1-CD1 4.46Å; V907-F951 HydrophobicContact CG1-CE1 4.16Å; V907-F951 WeakPolarHBondContact O-CD1 3.39Å; V907-N957 PolarHBondContact N-OD1 2.9Å; V907-N957 PolarHBondContact O-OD1 3.06Å; V907-N965 PolarHBondContact O-ND2 2.81Å
908Y95.9Very high91.4Very high15 Ų1537 Ų376%0.05923%0.234CC..EExtended strand (participates in β ladder)trans-106153175.4-56.1-89.7000111.2L892 L898 L899 D906 A961 R964 N965L892-Y908 HydrophobicContact CD2-CD2 3.66Å; L892-Y908 HydrophobicContact CD2-CE2 3.69Å; L898-Y908 WeakPolarHBondContact CA-O 3.5Å; L899-Y908 PolarHBondContact N-O 3.02Å; L899-Y908 PolarHBondContact O-N 3.43Å; D906-Y908 HydrophobicContact CB-CE2 3.79Å; Y908-A961 HydrophobicContact CE1-CB 3.81Å; Y908-A961 WeakPolarHBondContact OH-CB 3.42Å; Y908-R964 HydrophobicContact CE1-CB 4.22Å; Y908-R964 HydrophobicContact CE1-CG 4.33Å; Y908-N965 WeakPolarHBondContact CA-OD1 3.26Å
909K94.2Very high91Very high39 Ų3938.7 Ų38.717%0.1724%0.243CC..EExtended strand (participates in β ladder)trans-82.1128.5169.7-175.665.3-155.5163.20110.6M645 G897 L898 Y911 F951 N965M645-K909 HydrophobicContact CE-CD 4.1Å; G897-K909 WeakPolarHBondContact O-CD 3.36Å; G897-K909 WeakPolarHBondContact O-CE 3.48Å; G897-K909 PolarHBondContact O-NZ 3.36Å; L898-K909 HydrophobicContact CD2-CD 4.42Å; K909-Y911 HydrophobicContact CB-CE2 3.81Å; K909-Y911 HydrophobicContact CG-CE1 4.19Å; K909-Y911 HydrophobicContact CG-CE2 4.14Å; K909-Y911 WeakPolarHBondContact O-CD2 3.35Å; K909-Y911 VanDerWaalsContact O-CE2 3.22Å; K909-Y911 WeakPolarHBondContact O-CE2 3.32Å; K909-F951 HydrophobicContact CB-CD1 4.41Å; K909-F951 HydrophobicContact CB-CE1 3.81Å; K909-F951 HydrophobicContact CB-CZ 3.91Å; K909-F951 HydrophobicContact CD-CE1 4.41Å; K909-F951 HydrophobicContact CD-CE2 4.48Å; K909-F951 HydrophobicContact CD-CZ 3.79Å; K909-F951 HydrophobicContact CG-CZ 4.37Å; K909-N965 PolarHBondContact N-OD1 2.97Å
910D92.9Very high90.5Very high29 Ų2939.9 Ų39.916%0.15525%0.245CC..  trans-73130.7168.8-177.524.3000111.1G897 L899 S912G897-D910 VanDerWaalsContact C-CB 3.49Å; G897-D910 VanDerWaalsContact O-CB 3.23Å; G897-D910 WeakPolarHBondContact O-CB 3.45Å; G897-D910 PolarHBondContact O-N 2.89Å; L899-D910 HydrophobicContact CD2-CB 4.04Å; L899-D910 HydrophobicContact CG-CB 4Å; D910-S912 VanDerWaalsContact CG-OG 3.26Å; D910-S912 WeakPolarHBondContact OD1-CB 3.47Å; D910-S912 PolarHBondContact OD1-N 3.22Å; D910-S912 PolarHBondContact OD1-OG 2.88Å; D910-S912 PolarHBondContact OD2-OG 3.14Å
911Y89.5Confident90Very high57 Ų5741.8 Ų41.822%0.22425%0.253CS..  trans-113-1.3177.3-65.6-78.2000113.1K909 S913 Y914 K968 L969 L972K909-Y911 HydrophobicContact CB-CE2 3.81Å; K909-Y911 HydrophobicContact CG-CE1 4.19Å; K909-Y911 HydrophobicContact CG-CE2 4.14Å; K909-Y911 WeakPolarHBondContact O-CD2 3.35Å; K909-Y911 VanDerWaalsContact O-CE2 3.22Å; K909-Y911 WeakPolarHBondContact O-CE2 3.32Å; Y911-S913 PolarHBondContact O-N 3.27Å; Y911-S913 VanDerWaalsContact O-N 3.09Å; Y911-Y914 HydrophobicContact CD1-CD2 4.06Å; Y911-Y914 AromaticContact CD1-CE2 3.93Å; Y911-Y914 HydrophobicContact CD1-CE2 3.93Å; Y911-Y914 WeakPolarHBondContact O-CD2 3.24Å; Y911-Y914 PolarHBondContact O-N 2.88Å; Y911-K968 HydrophobicContact CD2-CB 4.27Å; Y911-K968 HydrophobicContact CE2-CB 3.68Å; Y911-L969 WeakPolarHBondContact OH-CA 3.44Å; Y911-L969 PolarHBondContact OH-N 3.39Å; Y911-L972 HydrophobicContact CD1-CD2 3.78Å; Y911-L972 HydrophobicContact CE1-CB 4.49Å; Y911-L972 HydrophobicContact CE1-CD2 3.6Å
912S87.2Confident89.4Confident74 Ų7441.2 Ų41.252%0.51725%0.251SS..G310 helixtrans-48.3-40176.673.90000112.3D910 Y914 A915D910-S912 VanDerWaalsContact CG-OG 3.26Å; D910-S912 WeakPolarHBondContact OD1-CB 3.47Å; D910-S912 PolarHBondContact OD1-N 3.22Å; D910-S912 PolarHBondContact OD1-OG 2.88Å; D910-S912 PolarHBondContact OD2-OG 3.14Å; S912-Y914 PolarHBondContact O-N 2.85Å; S912-A915 VanDerWaalsContact O-CB 3.27Å; S912-A915 WeakPolarHBondContact O-CB 3.38Å; S912-A915 PolarHBondContact O-N 3.44Å
913S83.2Confident88.9Confident56 Ų5641.8 Ų41.839%0.39225%0.254SS..G310 helixtrans-67.27.2179.180.30000115.3K543 Y911 L917K543-S913 WeakPolarHBondContact CE-O 3.39Å; K543-S913 PolarHBondContact NZ-O 2.71Å; K543-S913 PolarHBondContact NZ-OG 2.94Å; K543-S913 VanDerWaalsContact NZ-OG 3.09Å; Y911-S913 PolarHBondContact O-N 3.27Å; Y911-S913 VanDerWaalsContact O-N 3.09Å; S913-L917 VanDerWaalsContact O-CD1 3.23Å; S913-L917 WeakPolarHBondContact O-CD1 3.38Å
914Y85.1Confident88.3Confident48 Ų4838.6 Ų38.619%0.18824%0.241CC..G310 helixtrans-111.5-9.6167.4-60.5-85.6000113.4Y911 S912 G916 L917 L919 L972 R976Y911-Y914 HydrophobicContact CD1-CD2 4.06Å; Y911-Y914 AromaticContact CD1-CE2 3.93Å; Y911-Y914 HydrophobicContact CD1-CE2 3.93Å; Y911-Y914 WeakPolarHBondContact O-CD2 3.24Å; Y911-Y914 PolarHBondContact O-N 2.88Å; S912-Y914 PolarHBondContact O-N 2.85Å; Y914-G916 PolarHBondContact O-N 2.94Å; Y914-L917 WeakPolarHBondContact O-CB 3.42Å; Y914-L917 PolarHBondContact O-N 2.86Å; Y914-L919 HydrophobicContact CD1-CD2 3.65Å; Y914-L919 HydrophobicContact CE1-CD2 4.37Å; Y914-L919 HydrophobicContact CG-CD2 4.32Å; Y914-L972 HydrophobicContact CD2-CD2 4.31Å; Y914-L972 HydrophobicContact CE1-CD2 4.31Å; Y914-L972 HydrophobicContact CE2-CD2 3.8Å; Y914-R976 PolarHBondContact OH-NH2 3.4Å
915A85.6Confident87.3Confident80 Ų8039.1 Ų39.166%0.66124%0.243SC*.THydrogen-bonded Turntrans-58.5135.8177.100000110.9S912 L917S912-A915 VanDerWaalsContact O-CB 3.27Å; S912-A915 WeakPolarHBondContact O-CB 3.38Å; S912-A915 PolarHBondContact O-N 3.44Å; A915-L917 PolarHBondContact O-N 3.4Å
916G82.1Confident85.9Confident91 Ų9140.6 Ų40.694%0.93826%0.258SS*.THydrogen-bonded Turntrans65.20.3-17500000116Y914Y914-G916 PolarHBondContact O-N 2.94Å
917L84.8Confident84.2Confident35 Ų3540.5 Ų40.518%0.18326%0.258CS..  trans-99.9131-176.5-55.9-168.2000112.6K543 S913 Y914 A915 L919K543-L917 HydrophobicContact CD-CD1 4.43Å; K543-L917 HydrophobicContact CG-CD1 4.06Å; S913-L917 VanDerWaalsContact O-CD1 3.23Å; S913-L917 WeakPolarHBondContact O-CD1 3.38Å; Y914-L917 WeakPolarHBondContact O-CB 3.42Å; Y914-L917 PolarHBondContact O-N 2.86Å; A915-L917 PolarHBondContact O-N 3.4Å; L917-L919 PolarHBondContact O-N 3.04Å; L917-L919 VanDerWaalsContact O-N 3.15Å
918S86.8Confident82.6Confident71 Ų7142.5 Ų42.550%0.49727%0.267SS..  trans-65.2116.6169.9-176.20000111R920 Y921S918-R920 PolarHBondContact O-N 3.26Å; S918-Y921 PolarHBondContact O-N 3.45Å
919L87.8Confident80.8Confident37 Ų3746.4 Ų46.419%0.19429%0.285CS..G310 helixtrans-62.9-12.3-179.2-67.1178.2000114.1Y914 L917 Y921 S922 L972 C975 V979Y914-L919 HydrophobicContact CD1-CD2 3.65Å; Y914-L919 HydrophobicContact CE1-CD2 4.37Å; Y914-L919 HydrophobicContact CG-CD2 4.32Å; L917-L919 PolarHBondContact O-N 3.04Å; L917-L919 VanDerWaalsContact O-N 3.15Å; L919-Y921 PolarHBondContact O-N 3.17Å; L919-S922 VanDerWaalsContact O-CB 3.25Å; L919-S922 WeakPolarHBondContact O-CB 3.15Å; L919-S922 PolarHBondContact O-N 3.26Å; L919-S922 PolarHBondContact O-OG 3.45Å; L919-L972 HydrophobicContact CD1-CD1 3.89Å; L919-L972 HydrophobicContact CD2-CD1 3.8Å; L919-C975 HydrophobicContact CD1-CB 3.47Å; L919-C975 VanDerWaalsContact CD1-CB 3.47Å; L919-V979 HydrophobicContact CB-CG2 4.43Å
920R85.8Confident79.8Confident60 Ų6046.7 Ų46.723%0.22629%0.292CS..G310 helixtrans-45.7-44.1163-177.9176.2174.676.54.5112.1H470 E475 S918 S922 V979H470-R920 PolarHBondContact O-NE 3.26Å; H470-R920 PolarHBondContact O-NH2 2.85Å; E475-R920 IonicContact OE2-NH2 3.75Å; S918-R920 PolarHBondContact O-N 3.26Å; R920-S922 VanDerWaalsContact C-N 3.31Å; R920-S922 PolarHBondContact O-N 3.15Å; R920-V979 HydrophobicContact CB-CG1 4.3Å
921Y87.3Confident79.2Confident41 Ų4145.7 Ų45.716%0.16129%0.288CS..G310 helixtrans-86.70.7-177.4-53.9-63.2000113.6H470 K543 N544 A545 S918 L919 L923H470-Y921 PolarHBondContact O-OH 3.47Å; K543-Y921 WeakPolarHBondContact CB-O 3.43Å; N544-Y921 VanDerWaalsContact CB-O 3.32Å; N544-Y921 WeakPolarHBondContact CB-O 3.35Å; N544-Y921 PolarHBondContact N-O 3.47Å; N544-Y921 PolarHBondContact ND2-O 3Å; A545-Y921 HydrophobicContact CB-CD1 4.13Å; A545-Y921 HydrophobicContact CB-CD2 3.79Å; A545-Y921 HydrophobicContact CB-CE2 4.27Å; A545-Y921 HydrophobicContact CB-CG 3.72Å; S918-Y921 PolarHBondContact O-N 3.45Å; L919-Y921 PolarHBondContact O-N 3.17Å; Y921-L923 VanDerWaalsContact C-N 3.29Å; Y921-L923 PolarHBondContact O-N 3.33Å
922S83.9Confident78.9Confident22 Ų2243.5 Ų43.515%0.15428%0.282CS..G310 helixtrans-78.4-11178.8810000114.2L919 R920 R976L919-S922 VanDerWaalsContact O-CB 3.25Å; L919-S922 WeakPolarHBondContact O-CB 3.15Å; L919-S922 PolarHBondContact O-N 3.26Å; L919-S922 PolarHBondContact O-OG 3.45Å; R920-S922 VanDerWaalsContact C-N 3.31Å; R920-S922 PolarHBondContact O-N 3.15Å; S922-R976 PolarHBondContact OG-NE 2.97Å
923L84.2Confident78.7Confident15 Ų1545 Ų458%0.07928%0.281CS..  trans-150.2179.4178.465.8101.3000110.4N544 Y921 L925 I942 R976 C980N544-L923 PolarHBondContact ND2-O 3.34Å; Y921-L923 VanDerWaalsContact C-N 3.29Å; Y921-L923 PolarHBondContact O-N 3.33Å; L923-L925 HydrophobicContact CD1-CD2 4.31Å; L923-L925 HydrophobicContact CD1-CG 4.09Å; L923-I942 HydrophobicContact CB-CD1 4.19Å; L923-R976 HydrophobicContact CD2-CB 3.79Å; L923-R976 HydrophobicContact CD2-CG 3.68Å; L923-C980 VanDerWaalsContact CD1-SG 3.54Å
924S79Confident78.6Confident16 Ų1644 Ų4411%0.11227%0.27CS..  trans-146.2127.6162.9-54.10000107.9N544 K938N544-S924 PolarHBondContact ND2-OG 3.09Å; S924-K938 VanDerWaalsContact O-CE 3.27Å; S924-K938 WeakPolarHBondContact O-CE 2.97Å
925L71.3Confident78.8Confident28 Ų2841.7 Ų41.715%0.14726%0.261CS..  trans-73.1-52.1177.1-73.8175.7000110.8L923 Q934 M935 K938 C980L923-L925 HydrophobicContact CD1-CD2 4.31Å; L923-L925 HydrophobicContact CD1-CG 4.09Å; L925-Q934 PolarHBondContact O-NE2 2.87Å; L925-Q934 PolarHBondContact O-OE1 2.9Å; L925-M935 HydrophobicContact CD2-CB 3.99Å; L925-M935 HydrophobicContact CD2-CG 4.47Å; L925-K938 HydrophobicContact CD2-CB 4.39Å; L925-C980 HydrophobicContact CD1-CB 4.12Å; L925-C980 HydrophobicContact CD2-CB 4.31Å
926G64.8Low78.9Confident31 Ų3140.7 Ų40.732%0.3224%0.242SC..  trans102.6178.6-16300000111
927S60.6Low79.1Confident6 Ų642.7 Ų42.74%0.04222%0.221CC..  trans-122.5115.1174.61590000108.1F320 R476 S478 E481F320-S927 WeakPolarHBondContact CE1-O 3.17Å; F320-S927 WeakPolarHBondContact CE1-OG 3.34Å; R476-S927 WeakPolarHBondContact O-CB 3.49Å; S478-S927 VanDerWaalsContact CB-OG 3.22Å; S478-S927 WeakPolarHBondContact CB-OG 3.2Å; S478-S927 PolarHBondContact N-OG 3.48Å; S478-S927 PolarHBondContact OG-OG 2.95Å; E481-S927 VanDerWaalsContact CD-OG 3.29Å; E481-S927 WeakPolarHBondContact OE1-CB 3.07Å; E481-S927 PolarHBondContact OE1-OG 2.96Å; E481-S927 PolarHBondContact OE2-OG 3.3Å
928F62.1Low79.1Confident41 Ų4145.1 Ų45.118%0.1823%0.23CC..  trans-153.6152-169.2-74.9-108.6000109.7S179 S930 A931S179-F928 WeakPolarHBondContact OG-CE1 3.37Å; F928-S930 VanDerWaalsContact C-N 3.3Å; F928-S930 PolarHBondContact O-N 3.47Å; F928-A931 PolarHBondContact O-N 3.15Å
929H58.6Low79.3Confident98 Ų9841.7 Ų41.745%0.45421%0.206SC..THydrogen-bonded Turntrans-66.8-28.9-173.3-50.3-35.4000114S317S317-H929 VanDerWaalsContact CA-CE1 3.41Å; S317-H929 WeakPolarHBondContact CA-CE1 3.41Å; S317-H929 WeakPolarHBondContact CB-CE1 3.09Å; S317-H929 WeakPolarHBondContact CB-NE2 3.44Å; S317-H929 PolarHBondContact O-CE1 2.91Å; S317-H929 PolarHBondContact O-NE2 2.89Å; S317-H929 PolarHBondContact OG-CE1 3.17Å; S317-H929 PolarHBondContact OG-NE2 3.45Å
930S74.4Confident79.4Confident45 Ų4540 Ų4032%0.31520%0.198SC..THydrogen-bonded Turntrans-105.652177.453.40000111.6F928 G932 H933 Q934F928-S930 VanDerWaalsContact C-N 3.3Å; F928-S930 PolarHBondContact O-N 3.47Å; S930-G932 VanDerWaalsContact C-N 3.29Å; S930-G932 PolarHBondContact O-N 2.72Å; S930-G932 VanDerWaalsContact O-N 3.12Å; S930-H933 WeakPolarHBondContact O-CA 3.25Å; S930-H933 WeakPolarHBondContact O-CB 3.23Å; S930-H933 PolarHBondContact O-N 3.21Å; S930-Q934 PolarHBondContact O-N 3.41Å
931A79.2Confident79.5Confident8 Ų838.3 Ų38.37%0.06620%0.196CC..Hα-helixtrans-47.8-42.3-17400000114.6F928 H933 Q934 M935 L984 P985F928-A931 PolarHBondContact O-N 3.15Å; A931-H933 PolarHBondContact O-N 2.96Å; A931-Q934 PolarHBondContact O-N 2.9Å; A931-M935 WeakPolarHBondContact O-CB 3.22Å; A931-M935 PolarHBondContact O-N 2.81Å; A931-L984 HydrophobicContact CB-CD2 4Å; A931-P985 VanDerWaalsContact CB-CD 3.48Å; A931-P985 HydrophobicContact CB-CG 3.7Å
932G84.2Confident79.6Confident10 Ų1037.5 Ų37.510%0.10319%0.194CC..Hα-helixtrans-61.7-40.4174.400000114.1S930 Q934 M935 K936 Y996S930-G932 VanDerWaalsContact C-N 3.29Å; S930-G932 PolarHBondContact O-N 2.72Å; S930-G932 VanDerWaalsContact O-N 3.12Å; G932-Q934 VanDerWaalsContact C-N 3.35Å; G932-M935 WeakPolarHBondContact O-CB 3.21Å; G932-M935 PolarHBondContact O-N 3.26Å; G932-K936 PolarHBondContact O-N 3.07Å; G932-Y996 PolarHBondContact O-OH 3.36Å
933H82.7Confident80Confident105 Ų10536.4 Ų36.449%0.48619%0.187SC..Hα-helixtrans-68.9-34.9175.7-74.491.8000112S930 A931 R937 Y996S930-H933 WeakPolarHBondContact O-CA 3.25Å; S930-H933 WeakPolarHBondContact O-CB 3.23Å; S930-H933 PolarHBondContact O-N 3.21Å; A931-H933 PolarHBondContact O-N 2.96Å; H933-R937 WeakPolarHBondContact O-CG 3.31Å; H933-R937 PolarHBondContact O-N 2.89Å; H933-Y996 WeakPolarHBondContact CA-OH 3.46Å; H933-Y996 PolarHBondContact N-OH 3.01Å
934Q81.6Confident80.2Confident35 Ų3540.5 Ų40.516%0.16420%0.201CC..Hα-helixtrans-67.4-43.7171.7173.316272.500112L925 S930 A931 G932 K936 R937 K938L925-Q934 PolarHBondContact O-NE2 2.87Å; L925-Q934 PolarHBondContact O-OE1 2.9Å; S930-Q934 PolarHBondContact O-N 3.41Å; A931-Q934 PolarHBondContact O-N 2.9Å; G932-Q934 VanDerWaalsContact C-N 3.35Å; Q934-K936 VanDerWaalsContact C-N 3.34Å; Q934-K936 PolarHBondContact O-N 2.65Å; Q934-R937 PolarHBondContact O-N 2.89Å; Q934-K938 WeakPolarHBondContact O-CB 3.35Å; Q934-K938 PolarHBondContact O-N 3.38Å
935M88Confident80.6Confident0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-54.8-50172.8169.9178.1167.600110.6L925 A931 G932 K938 L939 F977 C980 A981 L984 F997 M1000L925-M935 HydrophobicContact CD2-CB 3.99Å; L925-M935 HydrophobicContact CD2-CG 4.47Å; A931-M935 WeakPolarHBondContact O-CB 3.22Å; A931-M935 PolarHBondContact O-N 2.81Å; G932-M935 WeakPolarHBondContact O-CB 3.21Å; G932-M935 PolarHBondContact O-N 3.26Å; M935-K938 PolarHBondContact O-N 3.37Å; M935-L939 HydrophobicContact CE-CD1 3.87Å; M935-L939 HydrophobicContact CG-CD1 3.8Å; M935-L939 HydrophobicContact CG-CG 4.42Å; M935-L939 WeakPolarHBondContact O-CB 3.4Å; M935-L939 VanDerWaalsContact O-CG 3.3Å; M935-L939 WeakPolarHBondContact O-CG 3.39Å; M935-L939 PolarHBondContact O-N 3.43Å; M935-F977 HydrophobicContact CE-CD2 3.36Å; M935-F977 HydrophobicContact CE-CE2 3.56Å; M935-F977 HydrophobicContact CE-CG 3.94Å; M935-F977 HydrophobicContact CE-CZ 4.26Å; M935-F977 WeakPolarHBondContact CE-O 3.46Å; M935-C980 HydrophobicContact CE-CB 3.81Å; M935-C980 HydrophobicContact CG-CB 3.81Å; M935-C980 HydrophobicContact SD-CB 3.67Å; M935-A981 HydrophobicContact CE-CB 4.15Å; M935-L984 HydrophobicContact SD-CD2 4.29Å; M935-F997 HydrophobicContact CE-CD1 4.32Å; M935-F997 HydrophobicContact CE-CE1 4.11Å; M935-F997 HydrophobicContact SD-CE1 4.05Å; M935-M1000 HydrophobicContact CE-CE 4.42Å; M935-M1000 HydrophobicContact CE-SD 4.11Å; M935-M1000 HydrophobicContact CG-CE 4.46Å; M935-M1000 HydrophobicContact CG-SD 4.25Å
936K88.3Confident81.5Confident59 Ų5946.4 Ų46.426%0.25723%0.228SC..Hα-helixtrans-54.4-56.6174.2-177.4170.4-178.1175.40111.9G932 Q934 K938 L939 M940 M1000 D1003G932-K936 PolarHBondContact O-N 3.07Å; Q934-K936 VanDerWaalsContact C-N 3.34Å; Q934-K936 PolarHBondContact O-N 2.65Å; K936-K938 VanDerWaalsContact C-N 3.3Å; K936-K938 PolarHBondContact O-N 2.93Å; K936-L939 PolarHBondContact O-N 3.4Å; K936-M940 HydrophobicContact CG-CE 4.34Å; K936-M940 HydrophobicContact CG-CG 4.5Å; K936-M940 VanDerWaalsContact O-CG 3.25Å; K936-M940 WeakPolarHBondContact O-CG 3.48Å; K936-M940 PolarHBondContact O-N 2.92Å; K936-M1000 HydrophobicContact CB-CE 4.06Å; K936-M1000 HydrophobicContact CB-CG 4.17Å; K936-M1000 HydrophobicContact CB-SD 4.02Å; K936-M1000 HydrophobicContact CD-CG 4.38Å; K936-M1000 HydrophobicContact CG-CG 4.02Å; K936-D1003 WeakPolarHBondContact CE-OD2 3.48Å; K936-D1003 IonicContact NZ-OD2 3.6Å; K936-D1003 PolarHBondContact NZ-OD2 3.01Å
937R85.2Confident82.7Confident133 Ų13345.4 Ų45.450%0.50222%0.216SC..Hα-helixtrans-57.1-41178.8-73.2177.9-176.8176.20.1112.6H933 Q934 A941H933-R937 WeakPolarHBondContact O-CG 3.31Å; H933-R937 PolarHBondContact O-N 2.89Å; Q934-R937 PolarHBondContact O-N 2.89Å; R937-A941 WeakPolarHBondContact O-CB 3.49Å; R937-A941 PolarHBondContact O-N 3.25Å
938K86.6Confident84.2Confident86 Ų8646.6 Ų46.637%0.37422%0.221SC..Hα-helixtrans-70.6-39.9-178-169.865.6173.7-170.10112.1S924 L925 Q934 M935 K936 I942S924-K938 VanDerWaalsContact O-CE 3.27Å; S924-K938 WeakPolarHBondContact O-CE 2.97Å; L925-K938 HydrophobicContact CD2-CB 4.39Å; Q934-K938 WeakPolarHBondContact O-CB 3.35Å; Q934-K938 PolarHBondContact O-N 3.38Å; M935-K938 PolarHBondContact O-N 3.37Å; K936-K938 VanDerWaalsContact C-N 3.3Å; K936-K938 PolarHBondContact O-N 2.93Å; K938-I942 HydrophobicContact CG-CD1 4.28Å; K938-I942 WeakPolarHBondContact O-CD1 3.29Å; K938-I942 VanDerWaalsContact O-CG1 3.26Å; K938-I942 WeakPolarHBondContact O-CG1 3.36Å; K938-I942 PolarHBondContact O-N 2.94Å
939L90.6Very high85.7Confident0 Ų046.7 Ų46.70%023%0.226CC..Hα-helixtrans-66.5-47.7174.2-70.2174.6000110.7M935 K936 A941 I942 L943 H973 R976 F977 M1000 M1004M935-L939 HydrophobicContact CE-CD1 3.87Å; M935-L939 HydrophobicContact CG-CD1 3.8Å; M935-L939 HydrophobicContact CG-CG 4.42Å; M935-L939 WeakPolarHBondContact O-CB 3.4Å; M935-L939 VanDerWaalsContact O-CG 3.3Å; M935-L939 WeakPolarHBondContact O-CG 3.39Å; M935-L939 PolarHBondContact O-N 3.43Å; K936-L939 PolarHBondContact O-N 3.4Å; L939-A941 VanDerWaalsContact C-N 3.33Å; L939-A941 PolarHBondContact O-N 3.03Å; L939-I942 CarbonylContact O-C 3.48Å; L939-I942 PolarHBondContact O-N 3.14Å; L939-I942 VanDerWaalsContact O-N 3.09Å; L939-L943 WeakPolarHBondContact O-CB 3.44Å; L939-L943 PolarHBondContact O-N 2.99Å; L939-H973 WeakPolarHBondContact CB-NE2 3.27Å; L939-H973 PolarHBondContact O-CE1 3.39Å; L939-H973 VanDerWaalsContact O-CE1 3.22Å; L939-H973 PolarHBondContact O-NE2 3.28Å; L939-R976 HydrophobicContact CD2-CB 4.08Å; L939-F977 HydrophobicContact CD1-CB 4.2Å; L939-F977 HydrophobicContact CD1-CD2 3.96Å; L939-M1000 HydrophobicContact CD1-SD 4.01Å; L939-M1004 HydrophobicContact CB-SD 3.99Å; L939-M1004 HydrophobicContact CD1-SD 4.45Å
940M90Very high87.4Confident2 Ų242 Ų421%0.0120%0.204CC..Hα-helixtrans-55.1-44.8173.6-65.9-62.8171.600112.7H714 E715 K936 I942 L943 R944 D1003 M1004 Y1007H714-M940 HydrophobicContact CB-CG 4.43Å; H714-M940 HydrophobicContact CB-SD 4.43Å; E715-M940 HydrophobicContact CG-CB 4.34Å; K936-M940 HydrophobicContact CG-CE 4.34Å; K936-M940 HydrophobicContact CG-CG 4.5Å; K936-M940 VanDerWaalsContact O-CG 3.25Å; K936-M940 WeakPolarHBondContact O-CG 3.48Å; K936-M940 PolarHBondContact O-N 2.92Å; M940-I942 PolarHBondContact O-N 3.41Å; M940-L943 WeakPolarHBondContact O-CB 3.33Å; M940-L943 PolarHBondContact O-N 2.77Å; M940-R944 PolarHBondContact O-N 2.63Å; M940-D1003 HydrophobicContact CE-CB 3.46Å; M940-D1003 VanDerWaalsContact CE-CB 3.46Å; M940-M1004 HydrophobicContact CE-CB 4.35Å; M940-M1004 HydrophobicContact CE-CG 3.48Å; M940-M1004 VanDerWaalsContact CE-CG 3.48Å; M940-M1004 HydrophobicContact SD-CG 3.82Å; M940-Y1007 HydrophobicContact CB-CD1 4.46Å; M940-Y1007 HydrophobicContact CB-CE1 4.29Å; M940-Y1007 HydrophobicContact SD-CD1 3.69Å; M940-Y1007 HydrophobicContact SD-CE1 4.41Å; M940-Y1007 HydrophobicContact SD-CG 4.41Å
941A87.4Confident88.4Confident24 Ų2440.1 Ų40.120%0.19819%0.19CC..Hα-helixtrans-64.2-37.2177.200000113.2E715 R937 L939 L945E715-A941 VanDerWaalsContact CD-CB 3.46Å; E715-A941 HydrophobicContact CG-CB 4.05Å; E715-A941 WeakPolarHBondContact OE2-CB 3.44Å; R937-A941 WeakPolarHBondContact O-CB 3.49Å; R937-A941 PolarHBondContact O-N 3.25Å; L939-A941 VanDerWaalsContact C-N 3.33Å; L939-A941 PolarHBondContact O-N 3.03Å; A941-L945 WeakPolarHBondContact O-CB 3.48Å; A941-L945 PolarHBondContact O-N 2.85Å
942I89.9Confident89Confident23 Ų2339.9 Ų39.912%0.11819%0.188CC..Hα-helixtrans-69.1-38.5173.4-70.2166.1000110.5L923 K938 L939 M940 L945 K946L923-I942 HydrophobicContact CB-CD1 4.19Å; K938-I942 HydrophobicContact CG-CD1 4.28Å; K938-I942 WeakPolarHBondContact O-CD1 3.29Å; K938-I942 VanDerWaalsContact O-CG1 3.26Å; K938-I942 WeakPolarHBondContact O-CG1 3.36Å; K938-I942 PolarHBondContact O-N 2.94Å; L939-I942 CarbonylContact O-C 3.48Å; L939-I942 PolarHBondContact O-N 3.14Å; L939-I942 VanDerWaalsContact O-N 3.09Å; M940-I942 PolarHBondContact O-N 3.41Å; I942-L945 PolarHBondContact O-N 3.44Å; I942-K946 WeakPolarHBondContact O-CG 3.15Å; I942-K946 PolarHBondContact O-N 3.35Å; I942-K946 VanDerWaalsContact O-N 3.16Å
943L91.4Very high89.4Confident0 Ų039.9 Ų39.90%019%0.185CC..Hα-helixtrans-62.6-52.1178.8-171.259.6000110.2L939 M940 L945 K946 C947 L969 M1004 Y1007 A1008L939-L943 WeakPolarHBondContact O-CB 3.44Å; L939-L943 PolarHBondContact O-N 2.99Å; M940-L943 WeakPolarHBondContact O-CB 3.33Å; M940-L943 PolarHBondContact O-N 2.77Å; L943-L945 VanDerWaalsContact C-N 3.26Å; L943-L945 PolarHBondContact O-N 3.29Å; L943-K946 PolarHBondContact O-N 3.17Å; L943-C947 WeakPolarHBondContact O-CB 3.45Å; L943-C947 PolarHBondContact O-N 3.11Å; L943-L969 HydrophobicContact CD1-CD2 3.76Å; L943-M1004 HydrophobicContact CD2-CB 3.8Å; L943-M1004 HydrophobicContact CD2-CG 4.07Å; L943-M1004 WeakPolarHBondContact CD2-O 3.48Å; L943-Y1007 HydrophobicContact CD2-CD1 4.15Å; L943-A1008 HydrophobicContact CD2-CB 4.43Å
944R89.1Confident89.8Confident101 Ų10136.5 Ų36.538%0.38117%0.171SC..Hα-helixtrans-57.6-35.9174.4-172.2-175.951.381.17113.2D712 E715 M940 K946 Y1007 L1011D712-R944 IonicContact OD2-NE 2.7Å; E715-R944 IonicContact OE1-CZ 2.72Å; E715-R944 VanDerWaalsContact OE1-CZ 3.22Å; E715-R944 IonicContact OE1-NE 2.67Å; E715-R944 PolarHBondContact OE1-NE 2.81Å; E715-R944 IonicContact OE1-NH2 3.8Å; E715-R944 PolarHBondContact OE1-NH2 2.9Å; E715-R944 IonicContact OE2-NH2 3.63Å; M940-R944 PolarHBondContact O-N 2.63Å; R944-K946 VanDerWaalsContact C-N 3.26Å; R944-K946 PolarHBondContact O-N 3.38Å; R944-Y1007 HydrophobicContact CB-CE1 4.01Å; R944-Y1007 WeakPolarHBondContact CD-OH 3.38Å; R944-L1011 HydrophobicContact CB-CD1 4.19Å; R944-L1011 HydrophobicContact CG-CD1 4.34Å; R944-L1011 HydrophobicContact CG-CD2 4.16Å
945L86.9Confident90.1Very high109 Ų10941.2 Ų41.257%0.57119%0.191SC*.THydrogen-bonded Turntrans-75.6-9.9178.6-173.959.2000113.9A941 I942 L943A941-L945 WeakPolarHBondContact O-CB 3.48Å; A941-L945 PolarHBondContact O-N 2.85Å; I942-L945 PolarHBondContact O-N 3.44Å; L943-L945 VanDerWaalsContact C-N 3.26Å; L943-L945 PolarHBondContact O-N 3.29Å
946K89.6Confident90.1Very high59 Ų5941.2 Ų41.226%0.25719%0.191SC..THydrogen-bonded Turntrans-116-31.3179.6-61.5-61.6164.1-1500113.6I942 L943 R944 H948 L969I942-K946 WeakPolarHBondContact O-CG 3.15Å; I942-K946 PolarHBondContact O-N 3.35Å; I942-K946 VanDerWaalsContact O-N 3.16Å; L943-K946 PolarHBondContact O-N 3.17Å; R944-K946 VanDerWaalsContact C-N 3.26Å; R944-K946 PolarHBondContact O-N 3.38Å; K946-H948 PolarHBondContact O-N 3.08Å; K946-L969 VanDerWaalsContact C-CD1 3.47Å; K946-L969 HydrophobicContact CB-CD1 3.69Å; K946-L969 HydrophobicContact CB-CG 4.02Å; K946-L969 WeakPolarHBondContact O-CD1 3.41Å
947C90.5Very high90.4Very high10 Ų1038.4 Ų38.47%0.06818%0.179CC..SBendtrans-73.963166.4-68.50000110.4L943 L952 L1011L943-C947 WeakPolarHBondContact O-CB 3.45Å; L943-C947 PolarHBondContact O-N 3.11Å; C947-L952 HydrophobicContact CB-CD1 3.7Å; C947-L1011 HydrophobicContact CB-CB 4.11Å; C947-L1011 HydrophobicContact CB-CD1 3.71Å
948H92.3Very high90.7Very high30 Ų3034 Ų3414%0.13917%0.168CC..  trans-93.2143.2-179.9-179.2-83.8000110.3M645 T646 K946 L950 F951M645-H948 PolarHBondContact O-CE1 3Å; M645-H948 VanDerWaalsContact O-CE1 3.22Å; T646-H948 PolarHBondContact OG1-NE2 2.84Å; K946-H948 PolarHBondContact O-N 3.08Å; H948-L950 VanDerWaalsContact C-N 3.26Å; H948-L950 WeakPolarHBondContact ND1-CB 3.35Å; H948-L950 PolarHBondContact ND1-N 2.73Å; H948-L950 VanDerWaalsContact ND1-N 3.16Å; H948-L950 PolarHBondContact O-N 3.05Å; H948-L950 VanDerWaalsContact O-N 3.1Å; H948-F951 HydrophobicContact CB-CD2 4.24Å; H948-F951 HydrophobicContact CB-CE2 4.48Å; H948-F951 PolarHBondContact O-N 2.68Å
949P92.5Very high90.8Very high43 Ų4332.6 Ų32.628%0.27917%0.165SC..G310 helixtrans-46.9-41.6-178.2-33.237000115.2F951 L952 D953P949-F951 PolarHBondContact O-N 2.87Å; P949-L952 PolarHBondContact O-N 2.77Å; P949-D953 VanDerWaalsContact O-CB 3.26Å; P949-D953 WeakPolarHBondContact O-CB 3.19Å; P949-D953 PolarHBondContact O-N 3.38Å
950L94.8Very high90.7Very high0 Ų036.6 Ų36.60%018%0.183CC..G310 helixtrans-40.1-34.1172.1-174.463.9000115.7M645 I648 H649 L652 L898 V907 H948 N957M645-L950 HydrophobicContact CB-CD2 3.94Å; M645-L950 HydrophobicContact CG-CD2 3.99Å; I648-L950 HydrophobicContact CG2-CD1 4.2Å; I648-L950 HydrophobicContact CG2-CD2 4.48Å; H649-L950 HydrophobicContact CB-CB 4.08Å; H649-L950 HydrophobicContact CB-CD1 3.9Å; L652-L950 HydrophobicContact CD1-CD1 4.24Å; L898-L950 HydrophobicContact CD1-CD2 3.97Å; L898-L950 HydrophobicContact CD2-CD2 3.93Å; V907-L950 HydrophobicContact CB-CD1 4.26Å; V907-L950 HydrophobicContact CB-CG 4.37Å; V907-L950 HydrophobicContact CG1-CD1 4.01Å; V907-L950 HydrophobicContact CG1-CD2 4.22Å; V907-L950 HydrophobicContact CG1-CG 3.91Å; V907-L950 HydrophobicContact CG2-CD1 4.09Å; H948-L950 VanDerWaalsContact C-N 3.26Å; H948-L950 WeakPolarHBondContact ND1-CB 3.35Å; H948-L950 PolarHBondContact ND1-N 2.73Å; H948-L950 VanDerWaalsContact ND1-N 3.16Å; H948-L950 PolarHBondContact O-N 3.05Å; H948-L950 VanDerWaalsContact O-N 3.1Å; L950-N957 PolarHBondContact O-ND2 2.72Å
951F95.1Very high90.8Very high6 Ų636.5 Ų36.53%0.02618%0.183CC..G310 helixtrans-106.9-4.9-177.8-53-65.3000114.2M645 L898 V907 K909 H948 P949 N965M645-F951 HydrophobicContact CE-CE2 4.13Å; M645-F951 HydrophobicContact CE-CZ 3.98Å; M645-F951 HydrophobicContact SD-CE2 3.99Å; M645-F951 HydrophobicContact SD-CZ 4.32Å; L898-F951 HydrophobicContact CD2-CE1 3.75Å; L898-F951 HydrophobicContact CD2-CZ 3.57Å; V907-F951 HydrophobicContact CG1-CD1 4.46Å; V907-F951 HydrophobicContact CG1-CE1 4.16Å; V907-F951 WeakPolarHBondContact O-CD1 3.39Å; K909-F951 HydrophobicContact CB-CD1 4.41Å; K909-F951 HydrophobicContact CB-CE1 3.81Å; K909-F951 HydrophobicContact CB-CZ 3.91Å; K909-F951 HydrophobicContact CD-CE1 4.41Å; K909-F951 HydrophobicContact CD-CE2 4.48Å; K909-F951 HydrophobicContact CD-CZ 3.79Å; K909-F951 HydrophobicContact CG-CZ 4.37Å; H948-F951 HydrophobicContact CB-CD2 4.24Å; H948-F951 HydrophobicContact CB-CE2 4.48Å; H948-F951 PolarHBondContact O-N 2.68Å; P949-F951 PolarHBondContact O-N 2.87Å; F951-N965 HydrophobicContact CB-CB 4.13Å; F951-N965 PolarHBondContact O-ND2 3.16Å
952L93.3Very high91.1Very high2 Ų235.4 Ų35.41%0.0117%0.173CC..THydrogen-bonded Turntrans-128-21.5-166.6-63.8-174.7000113.7C947 P949 L954 V962 I966 L1012 N1016C947-L952 HydrophobicContact CB-CD1 3.7Å; P949-L952 PolarHBondContact O-N 2.77Å; L952-L954 PolarHBondContact O-N 3.12Å; L952-V962 HydrophobicContact CD2-CG1 4.46Å; L952-I966 HydrophobicContact CD2-CD1 4.02Å; L952-I966 HydrophobicContact CD2-CG1 3.59Å; L952-L1012 HydrophobicContact CB-CD1 4.01Å; L952-L1012 HydrophobicContact CD2-CD1 4.32Å; L952-L1012 WeakPolarHBondContact O-CD1 3.34Å; L952-N1016 PolarHBondContact O-ND2 2.72Å
953D91.9Very high91.1Very high10 Ų1034.3 Ų34.35%0.05317%0.168CC..  trans-72.2118.5176.8167.836000110.4H649 P949 K955 T956 N957H649-D953 IonicContact CE1-OD2 2.82Å; H649-D953 IonicContact NE2-OD2 3.48Å; H649-D953 PolarHBondContact NE2-OD2 3.19Å; P949-D953 VanDerWaalsContact O-CB 3.26Å; P949-D953 WeakPolarHBondContact O-CB 3.19Å; P949-D953 PolarHBondContact O-N 3.38Å; D953-K955 VanDerWaalsContact C-N 3.27Å; D953-K955 PolarHBondContact O-N 3.32Å; D953-K955 WeakPolarHBondContact OD1-CB 3.48Å; D953-K955 PolarHBondContact OD1-N 2.87Å; D953-T956 PolarHBondContact O-N 3.09Å; D953-T956 WeakPolarHBondContact OD2-CB 3.47Å; D953-T956 PolarHBondContact OD2-N 3.29Å; D953-T956 VanDerWaalsContact OD2-N 3.16Å; D953-T956 PolarHBondContact OD2-OG1 3.29Å; D953-N957 WeakPolarHBondContact O-CB 3.4Å; D953-N957 PolarHBondContact O-N 3.46Å; D953-N957 PolarHBondContact O-ND2 2.89Å; D953-N957 VanDerWaalsContact O-ND2 3.1Å
954L90.7Very high91.1Very high35 Ų3536.3 Ų36.318%0.18318%0.176CC..THydrogen-bonded Turntrans-77.1-8.1179.6-67.2164.2000113.2L952 N957 L959 V962 N1016 L1019 L1021 V1030L952-L954 PolarHBondContact O-N 3.12Å; L954-N957 CarbonylContact C-O 3.5Å; L954-N957 WeakPolarHBondContact CA-O 3.23Å; L954-L959 HydrophobicContact CD2-CB 4.49Å; L954-L959 HydrophobicContact CD2-CD1 4.19Å; L954-V962 HydrophobicContact CD2-CB 4.1Å; L954-V962 HydrophobicContact CD2-CG1 4.49Å; L954-V962 HydrophobicContact CD2-CG2 3.71Å; L954-V962 HydrophobicContact CG-CG2 4.33Å; L954-N1016 WeakPolarHBondContact CB-OD1 3.49Å; L954-N1016 PolarHBondContact N-OD1 3.14Å; L954-L1019 HydrophobicContact CB-CD1 3.99Å; L954-L1019 HydrophobicContact CD1-CD1 4.36Å; L954-L1021 HydrophobicContact CD1-CD2 3.68Å; L954-V1030 HydrophobicContact CD1-CG2 4.13Å
955K87.7Confident91.3Very high133 Ų13331.8 Ų31.858%0.57816%0.159SC*.THydrogen-bonded Turntrans-78.4-37.1168.4-58.9-175.1175.6-1700111.1D953D953-K955 VanDerWaalsContact C-N 3.27Å; D953-K955 PolarHBondContact O-N 3.32Å; D953-K955 WeakPolarHBondContact OD1-CB 3.48Å; D953-K955 PolarHBondContact OD1-N 2.87Å
956T88.9Confident91.6Very high0 Ų027 Ų270%013%0.133CC..THydrogen-bonded Turntrans-84-41.2175.4-54.50000112H649 L652 S653 A656 K660 D953H649-T956 PolarHBondContact CD2-OG1 2.75Å; H649-T956 PolarHBondContact NE2-OG1 3.23Å; H649-T956 VanDerWaalsContact NE2-OG1 3.12Å; L652-T956 HydrophobicContact CB-CG2 4.33Å; S653-T956 PolarHBondContact OG-OG1 3.39Å; A656-T956 HydrophobicContact CB-CG2 4.26Å; K660-T956 PolarHBondContact NZ-O 2.74Å; D953-T956 PolarHBondContact O-N 3.09Å; D953-T956 WeakPolarHBondContact OD2-CB 3.47Å; D953-T956 PolarHBondContact OD2-N 3.29Å; D953-T956 VanDerWaalsContact OD2-N 3.16Å; D953-T956 PolarHBondContact OD2-OG1 3.29Å
957N93.4Very high91.7Very high1 Ų125.5 Ų25.51%0.00513%0.126CC..SBendtrans-115150-170.2-59.7-90.2000112.8D906 V907 L950 D953 L954 A961 V962D906-N957 VanDerWaalsContact OD1-CA 3.22Å; D906-N957 WeakPolarHBondContact OD1-CA 3.36Å; V907-N957 PolarHBondContact N-OD1 2.9Å; V907-N957 PolarHBondContact O-OD1 3.06Å; L950-N957 PolarHBondContact O-ND2 2.72Å; D953-N957 WeakPolarHBondContact O-CB 3.4Å; D953-N957 PolarHBondContact O-N 3.46Å; D953-N957 PolarHBondContact O-ND2 2.89Å; D953-N957 VanDerWaalsContact O-ND2 3.1Å; L954-N957 CarbonylContact C-O 3.5Å; L954-N957 WeakPolarHBondContact CA-O 3.23Å; N957-A961 HydrophobicContact CB-CB 4.27Å; N957-V962 HydrophobicContact CB-CG2 3.77Å
958S91.3Very high91.8Very high41 Ų4128.4 Ų28.429%0.28714%0.138SC..  trans-65.5161.4169.372.30000112.2D906 E960 A961 V962D906-S958 PolarHBondContact OD1-N 3.13Å; D906-S958 WeakPolarHBondContact OD2-CB 3.08Å; D906-S958 PolarHBondContact OD2-OG 2.79Å; S958-E960 VanDerWaalsContact C-N 3.29Å; S958-E960 PolarHBondContact O-N 3.12Å; S958-A961 PolarHBondContact O-N 2.79Å; S958-A961 VanDerWaalsContact OG-CB 3.3Å; S958-A961 WeakPolarHBondContact OG-CB 3.35Å; S958-A961 PolarHBondContact OG-N 2.99Å; S958-V962 WeakPolarHBondContact O-CG2 3.26Å; S958-V962 PolarHBondContact O-N 3.43Å
959L89.5Confident91.9Very high56 Ų5627.5 Ų27.529%0.29313%0.134SC..Hα-helixtrans-59.5-40.8174.9-179.559.4000111.8L954 V962 Y963 T1029 V1030L954-L959 HydrophobicContact CD2-CB 4.49Å; L954-L959 HydrophobicContact CD2-CD1 4.19Å; L959-V962 PolarHBondContact O-N 2.97Å; L959-Y963 HydrophobicContact CD1-CD2 3.97Å; L959-Y963 HydrophobicContact CD1-CE2 3.53Å; L959-Y963 HydrophobicContact CD2-CE2 4.29Å; L959-Y963 HydrophobicContact CG-CD2 4Å; L959-Y963 HydrophobicContact CG-CE2 3.76Å; L959-Y963 WeakPolarHBondContact O-CD2 3.38Å; L959-Y963 PolarHBondContact O-N 3.01Å; L959-Y963 VanDerWaalsContact O-N 3.07Å; L959-T1029 WeakPolarHBondContact CD1-O 3.31Å; L959-V1030 HydrophobicContact CD1-CG2 3.56Å
960E89.4Confident92Very high84 Ų8425.5 Ų25.539%0.39312%0.121SC..Hα-helixtrans-62.5-49.3175.4-164.1-153.5135.100110.8S958 V962 Y963 R964 V1080S958-E960 VanDerWaalsContact C-N 3.29Å; S958-E960 PolarHBondContact O-N 3.12Å; E960-V962 VanDerWaalsContact C-N 3.32Å; E960-V962 PolarHBondContact O-N 3.18Å; E960-Y963 PolarHBondContact O-N 3.32Å; E960-Y963 VanDerWaalsContact O-N 3.15Å; E960-R964 VanDerWaalsContact O-CB 3.29Å; E960-R964 WeakPolarHBondContact O-CB 3.46Å; E960-R964 PolarHBondContact O-N 2.99Å; E960-V1080 HydrophobicContact CG-CG2 3.38Å
961A91.9Very high91.9Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-60.4-39.9179.900000112.6D906 Y908 N957 S958 R964 N965D906-A961 HydrophobicContact CB-CB 3.81Å; D906-A961 VanDerWaalsContact OD2-CB 3.24Å; D906-A961 WeakPolarHBondContact OD2-CB 3.31Å; Y908-A961 HydrophobicContact CE1-CB 3.81Å; Y908-A961 WeakPolarHBondContact OH-CB 3.42Å; N957-A961 HydrophobicContact CB-CB 4.27Å; S958-A961 PolarHBondContact O-N 2.79Å; S958-A961 VanDerWaalsContact OG-CB 3.3Å; S958-A961 WeakPolarHBondContact OG-CB 3.35Å; S958-A961 PolarHBondContact OG-N 2.99Å; A961-R964 PolarHBondContact O-N 3.03Å; A961-N965 WeakPolarHBondContact O-CB 3.11Å; A961-N965 PolarHBondContact O-N 3.49Å; A961-N965 PolarHBondContact O-ND2 3.37Å; A961-N965 VanDerWaalsContact O-ND2 3.15Å
962V92.5Very high91.7Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-62.9-46.6174.1171.60000111.2L952 L954 N957 S958 L959 E960 N965 I966 L1012L952-V962 HydrophobicContact CD2-CG1 4.46Å; L954-V962 HydrophobicContact CD2-CB 4.1Å; L954-V962 HydrophobicContact CD2-CG1 4.49Å; L954-V962 HydrophobicContact CD2-CG2 3.71Å; L954-V962 HydrophobicContact CG-CG2 4.33Å; N957-V962 HydrophobicContact CB-CG2 3.77Å; S958-V962 WeakPolarHBondContact O-CG2 3.26Å; S958-V962 PolarHBondContact O-N 3.43Å; L959-V962 PolarHBondContact O-N 2.97Å; E960-V962 VanDerWaalsContact C-N 3.32Å; E960-V962 PolarHBondContact O-N 3.18Å; V962-N965 PolarHBondContact O-N 3.05Å; V962-I966 HydrophobicContact CG1-CD1 3.81Å; V962-I966 VanDerWaalsContact O-CG1 3.25Å; V962-I966 WeakPolarHBondContact O-CG1 3.3Å; V962-I966 PolarHBondContact O-N 3.33Å; V962-L1012 HydrophobicContact CG1-CD1 3.91Å
963Y90.9Very high91.7Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-63.4-43.8176.1-77.5-48.8000112.6L959 E960 N965 I966 Y967 V1030 A1034 L1038 N1073 V1076L959-Y963 HydrophobicContact CD1-CD2 3.97Å; L959-Y963 HydrophobicContact CD1-CE2 3.53Å; L959-Y963 HydrophobicContact CD2-CE2 4.29Å; L959-Y963 HydrophobicContact CG-CD2 4Å; L959-Y963 HydrophobicContact CG-CE2 3.76Å; L959-Y963 WeakPolarHBondContact O-CD2 3.38Å; L959-Y963 PolarHBondContact O-N 3.01Å; L959-Y963 VanDerWaalsContact O-N 3.07Å; E960-Y963 PolarHBondContact O-N 3.32Å; E960-Y963 VanDerWaalsContact O-N 3.15Å; Y963-N965 PolarHBondContact O-N 3.49Å; Y963-I966 PolarHBondContact O-N 3Å; Y963-Y967 WeakPolarHBondContact O-CB 3.45Å; Y963-Y967 PolarHBondContact O-N 3.09Å; Y963-V1030 HydrophobicContact CE1-CG1 3.74Å; Y963-A1034 HydrophobicContact CE1-CB 3.89Å; Y963-L1038 HydrophobicContact CD1-CD1 3.83Å; Y963-N1073 PolarHBondContact OH-OD1 3.24Å; Y963-V1076 HydrophobicContact CD2-CG1 4.08Å; Y963-V1076 HydrophobicContact CE2-CG1 4.39Å
964R91.2Very high91.8Very high43 Ų4327.2 Ų27.216%0.16213%0.131CC..Hα-helixtrans-65-36.8178.8-160.5173.1-166-152.67.5111.9Y908 E960 A961 K968 V1080 S1083 T1084Y908-R964 HydrophobicContact CE1-CB 4.22Å; Y908-R964 HydrophobicContact CE1-CG 4.33Å; E960-R964 VanDerWaalsContact O-CB 3.29Å; E960-R964 WeakPolarHBondContact O-CB 3.46Å; E960-R964 PolarHBondContact O-N 2.99Å; A961-R964 PolarHBondContact O-N 3.03Å; R964-K968 WeakPolarHBondContact O-CG 3.15Å; R964-K968 PolarHBondContact O-N 3.3Å; R964-K968 VanDerWaalsContact O-N 3.08Å; R964-V1080 HydrophobicContact CB-CG1 3.99Å; R964-V1080 HydrophobicContact CG-CG1 4.14Å; R964-S1083 PolarHBondContact NH2-O 3.24Å; R964-T1084 HydrophobicContact CG-CG2 3.89Å
965N93.8Very high91.9Very high5 Ų527 Ų273%0.02713%0.133CC..Hα-helixtrans-66.4-47.9171.6-88.1-43.1000112.2V907 Y908 K909 F951 A961 V962 Y963 Y967 L969V907-N965 PolarHBondContact O-ND2 2.81Å; Y908-N965 WeakPolarHBondContact CA-OD1 3.26Å; K909-N965 PolarHBondContact N-OD1 2.97Å; F951-N965 HydrophobicContact CB-CB 4.13Å; F951-N965 PolarHBondContact O-ND2 3.16Å; A961-N965 WeakPolarHBondContact O-CB 3.11Å; A961-N965 PolarHBondContact O-N 3.49Å; A961-N965 PolarHBondContact O-ND2 3.37Å; A961-N965 VanDerWaalsContact O-ND2 3.15Å; V962-N965 PolarHBondContact O-N 3.05Å; Y963-N965 PolarHBondContact O-N 3.49Å; N965-Y967 VanDerWaalsContact C-N 3.35Å; N965-Y967 PolarHBondContact O-N 3.4Å; N965-L969 WeakPolarHBondContact O-CB 3.37Å; N965-L969 PolarHBondContact O-N 2.94Å
966I92.6Very high92.1Very high8 Ų821.3 Ų21.34%0.04111%0.107CC..Hα-helixtrans-58.3-48.6176-69.3165.8000109.7L952 V962 Y963 L969 V970 L1012 L1038L952-I966 HydrophobicContact CD2-CD1 4.02Å; L952-I966 HydrophobicContact CD2-CG1 3.59Å; V962-I966 HydrophobicContact CG1-CD1 3.81Å; V962-I966 VanDerWaalsContact O-CG1 3.25Å; V962-I966 WeakPolarHBondContact O-CG1 3.3Å; V962-I966 PolarHBondContact O-N 3.33Å; Y963-I966 PolarHBondContact O-N 3Å; I966-L969 PolarHBondContact O-N 3.2Å; I966-V970 HydrophobicContact CG2-CG2 4.17Å; I966-V970 WeakPolarHBondContact O-CB 3.22Å; I966-V970 WeakPolarHBondContact O-CG2 3.19Å; I966-V970 PolarHBondContact O-N 3.39Å; I966-L1012 HydrophobicContact CD1-CD2 4.38Å; I966-L1038 HydrophobicContact CB-CD1 4.12Å; I966-L1038 HydrophobicContact CG2-CB 4.47Å; I966-L1038 HydrophobicContact CG2-CD1 3.75Å
967Y92.1Very high92.3Very high28 Ų2821.3 Ų21.311%0.1111%0.107CC..Hα-helixtrans-57.5-58.3179.5177.6-119.7000112.3Y963 N965 L969 V970 V971 L1038 S1042 L1081 T1084Y963-Y967 WeakPolarHBondContact O-CB 3.45Å; Y963-Y967 PolarHBondContact O-N 3.09Å; N965-Y967 VanDerWaalsContact C-N 3.35Å; N965-Y967 PolarHBondContact O-N 3.4Å; Y967-L969 VanDerWaalsContact C-N 3.25Å; Y967-L969 PolarHBondContact O-N 3.17Å; Y967-V970 PolarHBondContact O-N 3.15Å; Y967-V971 HydrophobicContact CD2-CG2 3.9Å; Y967-V971 HydrophobicContact CE1-CG2 4.24Å; Y967-V971 HydrophobicContact CE2-CG2 3.45Å; Y967-V971 VanDerWaalsContact CE2-CG2 3.45Å; Y967-V971 HydrophobicContact CG-CG2 4.46Å; Y967-V971 WeakPolarHBondContact O-CG2 3.4Å; Y967-V971 PolarHBondContact O-N 3.05Å; Y967-L1038 HydrophobicContact CD2-CD2 4.28Å; Y967-S1042 WeakPolarHBondContact CD2-OG 3.39Å; Y967-L1081 HydrophobicContact CD1-CD2 4.22Å; Y967-L1081 HydrophobicContact CD2-CD2 4.07Å; Y967-L1081 HydrophobicContact CE1-CD2 3.73Å; Y967-L1081 HydrophobicContact CE2-CD2 3.56Å; Y967-L1081 HydrophobicContact CG-CD2 4.38Å; Y967-T1084 WeakPolarHBondContact CE1-OG1 3.15Å
968K91.6Very high92.3Very high72 Ų7222.1 Ų22.131%0.31311%0.111SC..Hα-helixtrans-60-35-179.1-69.7-179177.8-179.10112.6Y911 R964 L972Y911-K968 HydrophobicContact CD2-CB 4.27Å; Y911-K968 HydrophobicContact CE2-CB 3.68Å; R964-K968 WeakPolarHBondContact O-CG 3.15Å; R964-K968 PolarHBondContact O-N 3.3Å; R964-K968 VanDerWaalsContact O-N 3.08Å; K968-L972 PolarHBondContact O-N 3.49Å
969L93.8Very high92.2Very high10 Ų1021.3 Ų21.35%0.05210%0.104CC..Hα-helixtrans-64.1-46.7174-176.7164.3000111.6Y911 L943 K946 N965 I966 Y967 L972 H973Y911-L969 WeakPolarHBondContact OH-CA 3.44Å; Y911-L969 PolarHBondContact OH-N 3.39Å; L943-L969 HydrophobicContact CD1-CD2 3.76Å; K946-L969 VanDerWaalsContact C-CD1 3.47Å; K946-L969 HydrophobicContact CB-CD1 3.69Å; K946-L969 HydrophobicContact CB-CG 4.02Å; K946-L969 WeakPolarHBondContact O-CD1 3.41Å; N965-L969 WeakPolarHBondContact O-CB 3.37Å; N965-L969 PolarHBondContact O-N 2.94Å; I966-L969 PolarHBondContact O-N 3.2Å; Y967-L969 VanDerWaalsContact C-N 3.25Å; Y967-L969 PolarHBondContact O-N 3.17Å; L969-L972 PolarHBondContact O-N 3.22Å; L969-H973 WeakPolarHBondContact O-CB 3.43Å; L969-H973 PolarHBondContact O-N 3Å
970V94.6Very high92.3Very high1 Ų118.7 Ų18.71%0.0069%0.091CC..Hα-helixtrans-76-33-175.1-1800000112I966 Y967 H973 A974 F1039 F1043I966-V970 HydrophobicContact CG2-CG2 4.17Å; I966-V970 WeakPolarHBondContact O-CB 3.22Å; I966-V970 WeakPolarHBondContact O-CG2 3.19Å; I966-V970 PolarHBondContact O-N 3.39Å; Y967-V970 PolarHBondContact O-N 3.15Å; V970-H973 CarbonylContact O-C 3.57Å; V970-H973 WeakPolarHBondContact O-CA 3.41Å; V970-H973 WeakPolarHBondContact O-CB 3.4Å; V970-H973 PolarHBondContact O-N 2.91Å; V970-A974 PolarHBondContact O-N 3.39Å; V970-F1039 HydrophobicContact CB-CE2 4.4Å; V970-F1039 HydrophobicContact CG1-CB 4.47Å; V970-F1039 HydrophobicContact CG1-CD1 3.7Å; V970-F1039 HydrophobicContact CG1-CD2 3.87Å; V970-F1039 HydrophobicContact CG1-CE1 3.78Å; V970-F1039 HydrophobicContact CG1-CE2 3.95Å; V970-F1039 HydrophobicContact CG1-CG 3.75Å; V970-F1039 HydrophobicContact CG1-CZ 3.92Å; V970-F1039 HydrophobicContact CG2-CD2 3.96Å; V970-F1039 HydrophobicContact CG2-CE1 4.37Å; V970-F1039 HydrophobicContact CG2-CE2 3.43Å; V970-F1039 VanDerWaalsContact CG2-CE2 3.43Å; V970-F1039 HydrophobicContact CG2-CZ 3.68Å; V970-F1043 HydrophobicContact CG1-CD2 4.32Å; V970-F1043 HydrophobicContact CG1-CE2 4.04Å
971V92.9Very high92.3Very high31 Ų3115 Ų1519%0.1887%0.074CC..Hα-helixtrans-57-51.3168.1172.60000110.4Y967 H973 A974 C975 L1045 V1046Y967-V971 HydrophobicContact CD2-CG2 3.9Å; Y967-V971 HydrophobicContact CE1-CG2 4.24Å; Y967-V971 HydrophobicContact CE2-CG2 3.45Å; Y967-V971 VanDerWaalsContact CE2-CG2 3.45Å; Y967-V971 HydrophobicContact CG-CG2 4.46Å; Y967-V971 WeakPolarHBondContact O-CG2 3.4Å; Y967-V971 PolarHBondContact O-N 3.05Å; V971-H973 PolarHBondContact O-N 3.43Å; V971-A974 PolarHBondContact O-N 2.92Å; V971-A974 VanDerWaalsContact O-N 3.15Å; V971-C975 PolarHBondContact O-N 3.18Å; V971-C975 PolarHBondContact O-SG 2.85Å; V971-C975 VanDerWaalsContact O-SG 3.41Å; V971-L1045 HydrophobicContact CG1-CD2 4.36Å; V971-L1045 HydrophobicContact CG2-CD2 4.33Å; V971-V1046 HydrophobicContact CG1-CG2 4.46Å
972L91.4Very high92.2Very high21 Ų2120.4 Ų20.411%0.1110%0.1CC..Hα-helixtrans-62.6-29.4174.9-17764.7000112Y911 Y914 L919 K968 L969 R976Y911-L972 HydrophobicContact CD1-CD2 3.78Å; Y911-L972 HydrophobicContact CE1-CB 4.49Å; Y911-L972 HydrophobicContact CE1-CD2 3.6Å; Y914-L972 HydrophobicContact CD2-CD2 4.31Å; Y914-L972 HydrophobicContact CE1-CD2 4.31Å; Y914-L972 HydrophobicContact CE2-CD2 3.8Å; L919-L972 HydrophobicContact CD1-CD1 3.89Å; L919-L972 HydrophobicContact CD2-CD1 3.8Å; K968-L972 PolarHBondContact O-N 3.49Å; L969-L972 PolarHBondContact O-N 3.22Å; L972-R976 VanDerWaalsContact CD2-NH1 3.28Å; L972-R976 WeakPolarHBondContact O-CG 3.38Å; L972-R976 PolarHBondContact O-N 3.18Å
973H92.8Very high91.8Very high2 Ų222.9 Ų22.91%0.00912%0.117CC..Hα-helixtrans-70.9-38.4175.3-144.399.9000112.7L939 L969 V970 V971 R976 F977L939-H973 WeakPolarHBondContact CB-NE2 3.27Å; L939-H973 PolarHBondContact O-CE1 3.39Å; L939-H973 VanDerWaalsContact O-CE1 3.22Å; L939-H973 PolarHBondContact O-NE2 3.28Å; L969-H973 WeakPolarHBondContact O-CB 3.43Å; L969-H973 PolarHBondContact O-N 3Å; V970-H973 CarbonylContact O-C 3.57Å; V970-H973 WeakPolarHBondContact O-CA 3.41Å; V970-H973 WeakPolarHBondContact O-CB 3.4Å; V970-H973 PolarHBondContact O-N 2.91Å; V971-H973 PolarHBondContact O-N 3.43Å; H973-R976 WeakPolarHBondContact O-CB 3.49Å; H973-R976 PolarHBondContact O-N 3.3Å; H973-F977 WeakPolarHBondContact O-CB 3.44Å; H973-F977 PolarHBondContact O-N 3.15Å
974A94.1Very high91.6Very high0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-64.5-42.4173.200000111.2V970 V971 R976 F977 H978 F1043 V1046V970-A974 PolarHBondContact O-N 3.39Å; V971-A974 PolarHBondContact O-N 2.92Å; V971-A974 VanDerWaalsContact O-N 3.15Å; A974-R976 VanDerWaalsContact C-N 3.33Å; A974-R976 PolarHBondContact O-N 2.99Å; A974-F977 WeakPolarHBondContact O-CB 3.3Å; A974-F977 PolarHBondContact O-N 2.63Å; A974-H978 PolarHBondContact O-N 2.93Å; A974-F1043 HydrophobicContact CB-CD1 3.97Å; A974-F1043 HydrophobicContact CB-CD2 3.79Å; A974-F1043 HydrophobicContact CB-CE1 4.04Å; A974-F1043 HydrophobicContact CB-CE2 3.87Å; A974-F1043 HydrophobicContact CB-CG 3.85Å; A974-F1043 HydrophobicContact CB-CZ 4Å; A974-V1046 HydrophobicContact CB-CB 3.97Å; A974-V1046 HydrophobicContact CB-CG1 4.4Å; A974-V1046 HydrophobicContact CB-CG2 3.81Å
975C92.4Very high91.2Very high31 Ų3122.6 Ų22.621%0.20912%0.12CC..Hα-helixtrans-60.1-41172.3-63.90000112.2L919 V971 H978 V979 V1046L919-C975 HydrophobicContact CD1-CB 3.47Å; L919-C975 VanDerWaalsContact CD1-CB 3.47Å; V971-C975 PolarHBondContact O-N 3.18Å; V971-C975 PolarHBondContact O-SG 2.85Å; V971-C975 VanDerWaalsContact O-SG 3.41Å; C975-H978 PolarHBondContact O-N 3.04Å; C975-V979 WeakPolarHBondContact O-CG2 3.31Å; C975-V979 PolarHBondContact O-N 3.04Å; C975-V979 VanDerWaalsContact O-N 3.15Å; C975-V1046 WeakPolarHBondContact SG-CG2 3.45Å
976R92.3Very high90.7Very high13 Ų1324.5 Ų24.55%0.04913%0.128CC..Hα-helixtrans-64.3-43.3173-74.5-172.8172.81082.6112.3Y914 S922 L923 L939 L972 H973 A974 H978 V979 C980Y914-R976 PolarHBondContact OH-NH2 3.4Å; S922-R976 PolarHBondContact OG-NE 2.97Å; L923-R976 HydrophobicContact CD2-CB 3.79Å; L923-R976 HydrophobicContact CD2-CG 3.68Å; L939-R976 HydrophobicContact CD2-CB 4.08Å; L972-R976 VanDerWaalsContact CD2-NH1 3.28Å; L972-R976 WeakPolarHBondContact O-CG 3.38Å; L972-R976 PolarHBondContact O-N 3.18Å; H973-R976 WeakPolarHBondContact O-CB 3.49Å; H973-R976 PolarHBondContact O-N 3.3Å; A974-R976 VanDerWaalsContact C-N 3.33Å; A974-R976 PolarHBondContact O-N 2.99Å; R976-H978 PolarHBondContact O-N 3.18Å; R976-V979 PolarHBondContact O-N 2.93Å; R976-C980 WeakPolarHBondContact O-CB 3.41Å; R976-C980 PolarHBondContact O-N 3.41Å; R976-C980 PolarHBondContact O-SG 3.03Å
977F94.1Very high90.1Very high0 Ų026.1 Ų26.10%015%0.147CC..Hα-helixtrans-58.9-45.8176.5169.5-83.7000111.6M935 L939 H973 A974 C980 A981 F997 M1000 I1001 M1004 F1043 L1047 Y1054 L1057M935-F977 HydrophobicContact CE-CD2 3.36Å; M935-F977 HydrophobicContact CE-CE2 3.56Å; M935-F977 HydrophobicContact CE-CG 3.94Å; M935-F977 HydrophobicContact CE-CZ 4.26Å; M935-F977 WeakPolarHBondContact CE-O 3.46Å; L939-F977 HydrophobicContact CD1-CB 4.2Å; L939-F977 HydrophobicContact CD1-CD2 3.96Å; H973-F977 WeakPolarHBondContact O-CB 3.44Å; H973-F977 PolarHBondContact O-N 3.15Å; A974-F977 WeakPolarHBondContact O-CB 3.3Å; A974-F977 PolarHBondContact O-N 2.63Å; F977-C980 PolarHBondContact O-N 3.03Å; F977-A981 WeakPolarHBondContact O-CB 3.47Å; F977-A981 PolarHBondContact O-N 3Å; F977-F997 AromaticContact CE2-CD1 3.98Å; F977-F997 HydrophobicContact CE2-CD1 3.98Å; F977-F997 HydrophobicContact CZ-CB 4.06Å; F977-F997 AromaticContact CZ-CD1 3.89Å; F977-F997 HydrophobicContact CZ-CD1 3.89Å; F977-F997 HydrophobicContact CZ-CG 4.35Å; F977-M1000 HydrophobicContact CD2-SD 4.29Å; F977-M1000 HydrophobicContact CE2-SD 4.11Å; F977-I1001 HydrophobicContact CE2-CG1 4.35Å; F977-I1001 HydrophobicContact CZ-CD1 4.36Å; F977-I1001 HydrophobicContact CZ-CG1 4.49Å; F977-M1004 HydrophobicContact CD2-CE 4.31Å; F977-F1043 HydrophobicContact CB-CE1 3.87Å; F977-F1043 HydrophobicContact CB-CZ 4.25Å; F977-F1043 HydrophobicContact CD1-CD1 4.35Å; F977-F1043 AromaticContact CD1-CE1 3.79Å; F977-F1043 HydrophobicContact CD1-CE1 3.79Å; F977-F1043 HydrophobicContact CD2-CE1 4.13Å; F977-F1043 HydrophobicContact CE1-CE1 4.36Å; F977-F1043 AromaticContact CG-CE1 3.67Å; F977-F1043 HydrophobicContact CG-CE1 3.67Å; F977-F1043 HydrophobicContact CG-CZ 4.41Å; F977-L1047 HydrophobicContact CD1-CD2 4.41Å; F977-L1047 HydrophobicContact CE1-CD1 4.38Å; F977-L1047 HydrophobicContact CE1-CD2 4.46Å; F977-Y1054 HydrophobicContact CE1-CE1 4.49Å; F977-L1057 HydrophobicContact CE1-CD1 4.33Å; F977-L1057 HydrophobicContact CZ-CD1 4.25Å
978H92.8Very high89.8Confident18 Ų1828.7 Ų28.78%0.08316%0.16CC..Hα-helixtrans-55.7-54.6175.8166.771000111.8A974 C975 R976 C980 A981 Q982 V1046 L1047 H1050 Y1054A974-H978 PolarHBondContact O-N 2.93Å; C975-H978 PolarHBondContact O-N 3.04Å; R976-H978 PolarHBondContact O-N 3.18Å; H978-C980 VanDerWaalsContact C-N 3.32Å; H978-C980 PolarHBondContact O-N 3.45Å; H978-A981 PolarHBondContact O-N 3.12Å; H978-A981 VanDerWaalsContact O-N 3.13Å; H978-Q982 VanDerWaalsContact CE1-CD 3.45Å; H978-Q982 PolarHBondContact CE1-NE2 2.9Å; H978-Q982 PolarHBondContact NE2-NE2 2.69Å; H978-Q982 PolarHBondContact O-N 3.31Å; H978-V1046 HydrophobicContact CB-CG1 4.24Å; H978-L1047 HydrophobicContact CB-CD2 4.33Å; H978-H1050 AromaticContact CE1-CD2 3.12Å; H978-H1050 PolarHBondContact CE1-CD2 2.87Å; H978-H1050 AromaticContact CE1-CG 3.69Å; H978-H1050 AromaticContact CE1-NE2 3.45Å; H978-H1050 PolarHBondContact CE1-NE2 2.69Å; H978-H1050 AromaticContact ND1-CD2 3.5Å; H978-H1050 PolarHBondContact ND1-CD2 3.3Å; H978-H1050 AromaticContact NE2-CD2 3.62Å; H978-H1050 AromaticContact NE2-NE2 3.45Å; H978-H1050 PolarHBondContact NE2-NE2 2.65Å; H978-Y1054 AromaticContact ND1-CE2 3.44Å; H978-Y1054 WeakPolarHBondContact ND1-CE2 3.29Å; H978-Y1054 AromaticContact ND1-CZ 3.51Å; H978-Y1054 PolarHBondContact ND1-OH 3.18Å
979V90.4Very high89.6Confident24 Ų2428.3 Ų28.315%0.14516%0.164CC..Hα-helixtrans-61.4-38.8179.6169.50000112L919 R920 C975 R976 S983L919-V979 HydrophobicContact CB-CG2 4.43Å; R920-V979 HydrophobicContact CB-CG1 4.3Å; C975-V979 WeakPolarHBondContact O-CG2 3.31Å; C975-V979 PolarHBondContact O-N 3.04Å; C975-V979 VanDerWaalsContact O-N 3.15Å; R976-V979 PolarHBondContact O-N 2.93Å; V979-S983 WeakPolarHBondContact O-CB 3.3Å; V979-S983 PolarHBondContact O-N 2.94Å; V979-S983 PolarHBondContact O-OG 2.85Å
980C90.1Very high89.4Confident1 Ų128.1 Ų28.11%0.00716%0.163CC..Hα-helixtrans-62.9-46.1173.2-73.50000111.9L923 L925 M935 R976 F977 H978 Q982 S983L923-C980 VanDerWaalsContact CD1-SG 3.54Å; L925-C980 HydrophobicContact CD1-CB 4.12Å; L925-C980 HydrophobicContact CD2-CB 4.31Å; M935-C980 HydrophobicContact CE-CB 3.81Å; M935-C980 HydrophobicContact CG-CB 3.81Å; M935-C980 HydrophobicContact SD-CB 3.67Å; R976-C980 WeakPolarHBondContact O-CB 3.41Å; R976-C980 PolarHBondContact O-N 3.41Å; R976-C980 PolarHBondContact O-SG 3.03Å; F977-C980 PolarHBondContact O-N 3.03Å; H978-C980 VanDerWaalsContact C-N 3.32Å; H978-C980 PolarHBondContact O-N 3.45Å; C980-Q982 PolarHBondContact O-N 3.42Å; C980-S983 PolarHBondContact O-N 3.08Å
981A90.6Very high89.1Confident6 Ų630.8 Ų30.85%0.0519%0.185CC..Hα-helixtrans-65-37.7-17900000112.7M935 F977 H978 S983 L984 V990M935-A981 HydrophobicContact CE-CB 4.15Å; F977-A981 WeakPolarHBondContact O-CB 3.47Å; F977-A981 PolarHBondContact O-N 3Å; H978-A981 PolarHBondContact O-N 3.12Å; H978-A981 VanDerWaalsContact O-N 3.13Å; A981-S983 VanDerWaalsContact C-N 3.26Å; A981-S983 PolarHBondContact O-N 3.09Å; A981-L984 WeakPolarHBondContact O-CG 3.48Å; A981-V990 HydrophobicContact CB-CG2 3.96Å
982Q88.3Confident88.9Confident115 Ų11536.5 Ų36.554%0.53721%0.207SC..Hα-helixtrans-67.5-24.6171.4-73.7-170.8-22.400113.4H978 C980 L984H978-Q982 VanDerWaalsContact CE1-CD 3.45Å; H978-Q982 PolarHBondContact CE1-NE2 2.9Å; H978-Q982 PolarHBondContact NE2-NE2 2.69Å; H978-Q982 PolarHBondContact O-N 3.31Å; C980-Q982 PolarHBondContact O-N 3.42Å; Q982-L984 VanDerWaalsContact C-N 3.34Å
983S85.3Confident88.8Confident51 Ų5139.3 Ų39.336%0.35722%0.223SC..THydrogen-bonded Turntrans-91.510.6-176.7-57.60000113.7V979 C980 A981V979-S983 WeakPolarHBondContact O-CB 3.3Å; V979-S983 PolarHBondContact O-N 2.94Å; V979-S983 PolarHBondContact O-OG 2.85Å; C980-S983 PolarHBondContact O-N 3.08Å; A981-S983 VanDerWaalsContact C-N 3.26Å; A981-S983 PolarHBondContact O-N 3.09Å
984L86.1Confident88.7Confident16 Ų1641 Ų418%0.08423%0.234CC..  trans-73.3138-178.9-67.1172.5000112.1A931 M935 A981 Q982 Q988 F997A931-L984 HydrophobicContact CB-CD2 4Å; M935-L984 HydrophobicContact SD-CD2 4.29Å; A981-L984 WeakPolarHBondContact O-CG 3.48Å; Q982-L984 VanDerWaalsContact C-N 3.34Å; L984-Q988 HydrophobicContact CB-CB 4.03Å; L984-Q988 HydrophobicContact CD1-CB 4.43Å; L984-F997 HydrophobicContact CD1-CE1 4.11Å; L984-F997 HydrophobicContact CD1-CZ 3.62Å
985P83.1Confident88.6Confident22 Ų2246.8 Ų46.814%0.14326%0.264CS..G310 helixtrans-75172.8-177.932.8-36.8000112.5E481 A931 G987 Q988E481-P985 HydrophobicContact CG-CB 3.76Å; A931-P985 VanDerWaalsContact CB-CD 3.48Å; A931-P985 HydrophobicContact CB-CG 3.7Å; P985-G987 PolarHBondContact O-N 2.7Å; P985-Q988 WeakPolarHBondContact O-CG 3.38Å; P985-Q988 PolarHBondContact O-N 3.39Å; P985-Q988 VanDerWaalsContact O-N 3.09Å
986F83.9Confident88.6Confident45 Ų4547.8 Ų47.820%0.19726%0.264CS..G310 helixtrans57.418.4173.6-44.6-63.8000115.5A480 E481 W484 Q988A480-F986 HydrophobicContact CB-CE1 4.14Å; A480-F986 HydrophobicContact CB-CZ 4.03Å; E481-F986 HydrophobicContact CG-CE1 4.08Å; E481-F986 HydrophobicContact CG-CZ 3.97Å; W484-F986 HydrophobicContact CB-CD1 4.15Å; W484-F986 HydrophobicContact CB-CE1 4.47Å; W484-F986 HydrophobicContact CD2-CB 4.2Å; W484-F986 AromaticContact CD2-CD1 3.64Å; W484-F986 HydrophobicContact CD2-CD1 3.64Å; W484-F986 HydrophobicContact CD2-CG 4.4Å; W484-F986 HydrophobicContact CE3-CB 4.42Å; W484-F986 AromaticContact CE3-CD1 3.58Å; W484-F986 HydrophobicContact CE3-CD1 3.58Å; W484-F986 HydrophobicContact CE3-CE1 4.33Å; W484-F986 HydrophobicContact CE3-CG 4.37Å; W484-F986 AromaticContact CG-CD1 3.9Å; W484-F986 HydrophobicContact CG-CD1 3.9Å; W484-F986 HydrophobicContact CH2-CB 4.31Å; W484-F986 HydrophobicContact CZ2-CB 4.07Å; W484-F986 HydrophobicContact CZ3-CB 4.48Å; W484-F986 HydrophobicContact CZ3-CD1 4.21Å; F986-Q988 VanDerWaalsContact C-N 3.31Å
987G80.3Confident88.7Confident42 Ų4247.6 Ų47.643%0.43326%0.263SS..G310 helixtrans68.827.5-17700000113.5P985 K992P985-G987 PolarHBondContact O-N 2.7Å; G987-K992 PolarHBondContact O-NZ 3.1Å
988Q85.6Confident88.6Confident82 Ų8248.5 Ų48.538%0.38327%0.268SS..  trans-67135.6167.4-66.4177.2600109.4L984 P985 F986L984-Q988 HydrophobicContact CB-CB 4.03Å; L984-Q988 HydrophobicContact CD1-CB 4.43Å; P985-Q988 WeakPolarHBondContact O-CG 3.38Å; P985-Q988 PolarHBondContact O-N 3.39Å; P985-Q988 VanDerWaalsContact O-N 3.09Å; F986-Q988 VanDerWaalsContact C-N 3.31Å
989T87.6Confident88.6Confident64 Ų6452.1 Ų52.139%0.39329%0.285SS..  trans-141.4162.2-178.759.20000109.8A991 K992T989-A991 PolarHBondContact O-N 2.82Å; T989-K992 PolarHBondContact O-N 3.22Å; T989-K992 WeakPolarHBondContact OG1-CG 3.3Å
990V89.2Confident88.8Confident6 Ų651 Ų514%0.03628%0.278CS..G310 helixtrans-62.8-43.9-178.2174.30000112.4A981 K992 N993 P994 F997 Y1054 L1057A981-V990 HydrophobicContact CB-CG2 3.96Å; V990-K992 PolarHBondContact O-N 2.7Å; V990-N993 CarbonylContact O-C 3.59Å; V990-N993 PolarHBondContact O-N 2.69Å; V990-P994 WeakPolarHBondContact O-CA 3.18Å; V990-P994 WeakPolarHBondContact O-CD 3.41Å; V990-F997 HydrophobicContact CB-CD2 3.98Å; V990-F997 HydrophobicContact CB-CE2 4.35Å; V990-F997 HydrophobicContact CB-CG 4.41Å; V990-F997 HydrophobicContact CG1-CB 4.05Å; V990-F997 HydrophobicContact CG1-CD2 3.89Å; V990-F997 HydrophobicContact CG1-CG 4.11Å; V990-F997 HydrophobicContact CG2-CD1 4.14Å; V990-F997 HydrophobicContact CG2-CD2 3.78Å; V990-F997 HydrophobicContact CG2-CE1 4.34Å; V990-F997 HydrophobicContact CG2-CE2 4.01Å; V990-F997 HydrophobicContact CG2-CG 3.87Å; V990-F997 HydrophobicContact CG2-CZ 4.29Å; V990-Y1054 HydrophobicContact CB-CD1 4.14Å; V990-Y1054 HydrophobicContact CB-CE1 4.18Å; V990-Y1054 HydrophobicContact CG1-CD1 4.15Å; V990-Y1054 HydrophobicContact CG2-CD1 4.08Å; V990-Y1054 HydrophobicContact CG2-CE1 3.67Å; V990-L1057 HydrophobicContact CG1-CD1 3.61Å; V990-L1057 HydrophobicContact CG1-CD2 4.32Å; V990-L1057 HydrophobicContact CG1-CG 3.71Å
991A88Confident89Confident57 Ų5751 Ų5147%0.47128%0.278SS..G310 helixtrans-57.2-19.8176.400000114.3T989T989-A991 PolarHBondContact O-N 2.82Å
992K88.9Confident89.1Confident150 Ų15052 Ų5265%0.65228%0.28SS*.G310 helixtrans-82.2-14.7175.7-70.3175.4-179177.30114.1G987 T989 V990G987-K992 PolarHBondContact O-NZ 3.1Å; T989-K992 PolarHBondContact O-N 3.22Å; T989-K992 WeakPolarHBondContact OG1-CG 3.3Å; V990-K992 PolarHBondContact O-N 2.7Å
993N89.8Confident89.3Confident81 Ų8147.6 Ų47.643%0.43326%0.261SS..SBendtrans-159.264.8174.5-168.7-15.1000111.2V990 L995 Y996 F997V990-N993 CarbonylContact O-C 3.59Å; V990-N993 PolarHBondContact O-N 2.69Å; N993-L995 VanDerWaalsContact C-N 3.27Å; N993-L995 PolarHBondContact O-N 2.96Å; N993-Y996 VanDerWaalsContact CG-CB 3.48Å; N993-Y996 PolarHBondContact O-N 2.74Å; N993-Y996 VanDerWaalsContact OD1-CB 3.29Å; N993-Y996 WeakPolarHBondContact OD1-CB 3.17Å; N993-Y996 PolarHBondContact OD1-N 3.31Å; N993-F997 WeakPolarHBondContact O-CD2 3.23Å
994P90.8Very high89.7Confident37 Ų3745.2 Ų45.224%0.2424%0.244CC..Hα-helixtrans-63.6-33.1-172.324.2-33.6000112.4V990 Y996 F997 L998 D1056 L1057V990-P994 WeakPolarHBondContact O-CA 3.18Å; V990-P994 WeakPolarHBondContact O-CD 3.41Å; P994-Y996 PolarHBondContact O-N 3.17Å; P994-F997 PolarHBondContact O-N 3.08Å; P994-L998 WeakPolarHBondContact O-CB 3.21Å; P994-L998 PolarHBondContact O-N 3.17Å; P994-D1056 HydrophobicContact CB-CB 3.8Å; P994-D1056 HydrophobicContact CG-CB 4.09Å; P994-L1057 HydrophobicContact CB-CD2 4.37Å; P994-L1057 WeakPolarHBondContact O-CD2 3.29Å
995L91.7Very high90.1Very high121 Ų12144.4 Ų44.463%0.63424%0.24SC*.Hα-helixtrans-60.5-41.3178.5-63.9177000112.7N993 F997 L998 Q999N993-L995 VanDerWaalsContact C-N 3.27Å; N993-L995 PolarHBondContact O-N 2.96Å; L995-F997 VanDerWaalsContact C-N 3.34Å; L995-F997 PolarHBondContact O-N 3.49Å; L995-L998 PolarHBondContact O-N 3.12Å; L995-Q999 WeakPolarHBondContact O-CB 3.44Å; L995-Q999 PolarHBondContact O-N 2.74Å
996Y92.3Very high90.5Very high53 Ų5348 Ų4821%0.20825%0.254CS..Hα-helixtrans-62.6-41.7176.7179.7-97.9000112.4G932 H933 N993 P994 M1000G932-Y996 PolarHBondContact O-OH 3.36Å; H933-Y996 WeakPolarHBondContact CA-OH 3.46Å; H933-Y996 PolarHBondContact N-OH 3.01Å; N993-Y996 VanDerWaalsContact CG-CB 3.48Å; N993-Y996 PolarHBondContact O-N 2.74Å; N993-Y996 VanDerWaalsContact OD1-CB 3.29Å; N993-Y996 WeakPolarHBondContact OD1-CB 3.17Å; N993-Y996 PolarHBondContact OD1-N 3.31Å; P994-Y996 PolarHBondContact O-N 3.17Å; Y996-M1000 HydrophobicContact CD1-CE 4.02Å; Y996-M1000 HydrophobicContact CE1-CE 3.47Å; Y996-M1000 VanDerWaalsContact CE1-CE 3.47Å; Y996-M1000 PolarHBondContact O-N 3.2Å; Y996-M1000 VanDerWaalsContact O-N 3.08Å
997F93.4Very high90.8Very high9 Ų946.2 Ų46.24%0.03925%0.246CC..Hα-helixtrans-72.9-37178.8-71.9-69.7000112.3M935 F977 L984 V990 N993 P994 L995 M1000 I1001 L1057M935-F997 HydrophobicContact CE-CD1 4.32Å; M935-F997 HydrophobicContact CE-CE1 4.11Å; M935-F997 HydrophobicContact SD-CE1 4.05Å; F977-F997 AromaticContact CE2-CD1 3.98Å; F977-F997 HydrophobicContact CE2-CD1 3.98Å; F977-F997 HydrophobicContact CZ-CB 4.06Å; F977-F997 AromaticContact CZ-CD1 3.89Å; F977-F997 HydrophobicContact CZ-CD1 3.89Å; F977-F997 HydrophobicContact CZ-CG 4.35Å; L984-F997 HydrophobicContact CD1-CE1 4.11Å; L984-F997 HydrophobicContact CD1-CZ 3.62Å; V990-F997 HydrophobicContact CB-CD2 3.98Å; V990-F997 HydrophobicContact CB-CE2 4.35Å; V990-F997 HydrophobicContact CB-CG 4.41Å; V990-F997 HydrophobicContact CG1-CB 4.05Å; V990-F997 HydrophobicContact CG1-CD2 3.89Å; V990-F997 HydrophobicContact CG1-CG 4.11Å; V990-F997 HydrophobicContact CG2-CD1 4.14Å; V990-F997 HydrophobicContact CG2-CD2 3.78Å; V990-F997 HydrophobicContact CG2-CE1 4.34Å; V990-F997 HydrophobicContact CG2-CE2 4.01Å; V990-F997 HydrophobicContact CG2-CG 3.87Å; V990-F997 HydrophobicContact CG2-CZ 4.29Å; N993-F997 WeakPolarHBondContact O-CD2 3.23Å; P994-F997 PolarHBondContact O-N 3.08Å; L995-F997 VanDerWaalsContact C-N 3.34Å; L995-F997 PolarHBondContact O-N 3.49Å; F997-M1000 HydrophobicContact CD1-CE 3.95Å; F997-M1000 HydrophobicContact CE1-CE 4.13Å; F997-M1000 WeakPolarHBondContact O-CB 3.44Å; F997-M1000 PolarHBondContact O-N 2.97Å; F997-I1001 WeakPolarHBondContact O-CG1 3.42Å; F997-I1001 PolarHBondContact O-N 3.47Å; F997-L1057 HydrophobicContact CB-CD1 4.23Å; F997-L1057 HydrophobicContact CB-CD2 4.25Å
998L92.8Very high91.4Very high18 Ų1844.5 Ų44.59%0.09423%0.228CC..Hα-helixtrans-63.3-47173.8-174.860.6000111.2P994 L995 M1000 I1001 W1002 L1057 H1060P994-L998 WeakPolarHBondContact O-CB 3.21Å; P994-L998 PolarHBondContact O-N 3.17Å; L995-L998 PolarHBondContact O-N 3.12Å; L998-M1000 VanDerWaalsContact C-N 3.27Å; L998-M1000 PolarHBondContact O-N 3.02Å; L998-I1001 WeakPolarHBondContact O-CB 3.25Å; L998-I1001 PolarHBondContact O-N 3.16Å; L998-I1001 VanDerWaalsContact O-N 3.1Å; L998-W1002 HydrophobicContact CD1-CZ2 3.94Å; L998-W1002 VanDerWaalsContact O-CD1 3.26Å; L998-W1002 PolarHBondContact O-N 2.95Å; L998-L1057 HydrophobicContact CB-CD2 3.72Å; L998-L1057 HydrophobicContact CD1-CD2 4.35Å; L998-H1060 HydrophobicContact CD1-CB 4.01Å; L998-H1060 HydrophobicContact CD2-CB 3.68Å
999Q93.3Very high91.6Very high94 Ų9441.6 Ų41.644%0.43922%0.215SC..Hα-helixtrans-59.6-39.2174.6-173.460.642.100111.6L995 I1001 W1002 D1003L995-Q999 WeakPolarHBondContact O-CB 3.44Å; L995-Q999 PolarHBondContact O-N 2.74Å; Q999-I1001 VanDerWaalsContact C-N 3.26Å; Q999-I1001 PolarHBondContact O-N 2.92Å; Q999-W1002 PolarHBondContact O-N 3.07Å; Q999-D1003 PolarHBondContact NE2-OD1 3.12Å; Q999-D1003 WeakPolarHBondContact O-CB 3.37Å; Q999-D1003 PolarHBondContact O-N 3.47Å
1000M93.1Very high91.7Very high2 Ų243.6 Ų43.61%0.0122%0.218CC..Hα-helixtrans-59.1-36.5176.1-164.1-172.7-5000112.5M935 K936 L939 F977 Y996 F997 L998 M1004M935-M1000 HydrophobicContact CE-CE 4.42Å; M935-M1000 HydrophobicContact CE-SD 4.11Å; M935-M1000 HydrophobicContact CG-CE 4.46Å; M935-M1000 HydrophobicContact CG-SD 4.25Å; K936-M1000 HydrophobicContact CB-CE 4.06Å; K936-M1000 HydrophobicContact CB-CG 4.17Å; K936-M1000 HydrophobicContact CB-SD 4.02Å; K936-M1000 HydrophobicContact CD-CG 4.38Å; K936-M1000 HydrophobicContact CG-CG 4.02Å; L939-M1000 HydrophobicContact CD1-SD 4.01Å; F977-M1000 HydrophobicContact CD2-SD 4.29Å; F977-M1000 HydrophobicContact CE2-SD 4.11Å; Y996-M1000 HydrophobicContact CD1-CE 4.02Å; Y996-M1000 HydrophobicContact CE1-CE 3.47Å; Y996-M1000 VanDerWaalsContact CE1-CE 3.47Å; Y996-M1000 PolarHBondContact O-N 3.2Å; Y996-M1000 VanDerWaalsContact O-N 3.08Å; F997-M1000 HydrophobicContact CD1-CE 3.95Å; F997-M1000 HydrophobicContact CE1-CE 4.13Å; F997-M1000 WeakPolarHBondContact O-CB 3.44Å; F997-M1000 PolarHBondContact O-N 2.97Å; L998-M1000 VanDerWaalsContact C-N 3.27Å; L998-M1000 PolarHBondContact O-N 3.02Å; M1000-M1004 HydrophobicContact CG-CE 4.43Å; M1000-M1004 WeakPolarHBondContact O-CE 3.44Å; M1000-M1004 VanDerWaalsContact O-CG 3.29Å; M1000-M1004 WeakPolarHBondContact O-CG 3.46Å; M1000-M1004 PolarHBondContact O-N 3.47Å
1001I94.5Very high91.7Very high0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-67.5-46.9176.5-63.4168000110.5F977 F997 L998 Q999 M1004 A1005 F1039 F1043 L1057F977-I1001 HydrophobicContact CE2-CG1 4.35Å; F977-I1001 HydrophobicContact CZ-CD1 4.36Å; F977-I1001 HydrophobicContact CZ-CG1 4.49Å; F997-I1001 WeakPolarHBondContact O-CG1 3.42Å; F997-I1001 PolarHBondContact O-N 3.47Å; L998-I1001 WeakPolarHBondContact O-CB 3.25Å; L998-I1001 PolarHBondContact O-N 3.16Å; L998-I1001 VanDerWaalsContact O-N 3.1Å; Q999-I1001 VanDerWaalsContact C-N 3.26Å; Q999-I1001 PolarHBondContact O-N 2.92Å; I1001-M1004 HydrophobicContact CG1-CE 4.33Å; I1001-M1004 WeakPolarHBondContact O-CB 3.32Å; I1001-M1004 PolarHBondContact O-N 3.46Å; I1001-M1004 VanDerWaalsContact O-N 3.16Å; I1001-A1005 PolarHBondContact O-N 3.23Å; I1001-F1039 HydrophobicContact CG2-CD1 4.33Å; I1001-F1043 HydrophobicContact CD1-CD1 3.59Å; I1001-F1043 HydrophobicContact CD1-CE1 3.87Å; I1001-F1043 HydrophobicContact CD1-CG 4.28Å; I1001-F1043 HydrophobicContact CG1-CD1 3.89Å; I1001-F1043 HydrophobicContact CG1-CE1 3.67Å; I1001-F1043 HydrophobicContact CG1-CZ 4.18Å; I1001-F1043 HydrophobicContact CG2-CD1 4.45Å; I1001-F1043 HydrophobicContact CG2-CD2 4.27Å; I1001-F1043 HydrophobicContact CG2-CE2 4.37Å; I1001-F1043 HydrophobicContact CG2-CG 4.31Å; I1001-F1043 HydrophobicContact CG2-CZ 4.5Å; I1001-L1057 HydrophobicContact CD1-CD1 4.24Å
1002W93.3Very high91.8Very high26 Ų2641.7 Ų41.710%0.09820%0.2CC..Hα-helixtrans-66.1-39178.4-56.1132.9000113L998 Q999 M1004 A1005 Q1006 E1036 L1061 R1064L998-W1002 HydrophobicContact CD1-CZ2 3.94Å; L998-W1002 VanDerWaalsContact O-CD1 3.26Å; L998-W1002 PolarHBondContact O-N 2.95Å; Q999-W1002 PolarHBondContact O-N 3.07Å; W1002-M1004 PolarHBondContact O-N 2.98Å; W1002-A1005 PolarHBondContact O-N 3.2Å; W1002-Q1006 WeakPolarHBondContact O-CB 3.39Å; W1002-Q1006 WeakPolarHBondContact O-CG 3.29Å; W1002-Q1006 PolarHBondContact O-N 3.41Å; W1002-E1036 HydrophobicContact CE3-CG 3.94Å; W1002-E1036 HydrophobicContact CZ3-CG 3.56Å; W1002-L1061 HydrophobicContact CH2-CD2 3.88Å; W1002-L1061 HydrophobicContact CZ2-CD2 4.14Å; W1002-R1064 HydrophobicContact CH2-CB 4.07Å; W1002-R1064 HydrophobicContact CH2-CG 3.85Å; W1002-R1064 HydrophobicContact CZ2-CG 4Å
1003D92.7Very high91.7Very high24 Ų2438 Ų3813%0.12818%0.182CC..Hα-helixtrans-58.8-36.7173.1-64.2-27.3000111.4K936 M940 Q999 Y1007K936-D1003 WeakPolarHBondContact CE-OD2 3.48Å; K936-D1003 IonicContact NZ-OD2 3.6Å; K936-D1003 PolarHBondContact NZ-OD2 3.01Å; M940-D1003 HydrophobicContact CE-CB 3.46Å; M940-D1003 VanDerWaalsContact CE-CB 3.46Å; Q999-D1003 PolarHBondContact NE2-OD1 3.12Å; Q999-D1003 WeakPolarHBondContact O-CB 3.37Å; Q999-D1003 PolarHBondContact O-N 3.47Å; D1003-Y1007 VanDerWaalsContact O-CB 3.29Å; D1003-Y1007 WeakPolarHBondContact O-CB 3.28Å; D1003-Y1007 PolarHBondContact O-N 3.48Å
1004M94Very high91.6Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-71.7-41.5177.1-73.3-175.9-62.800111.5L939 M940 L943 F977 M1000 I1001 W1002 Y1007 A1008 F1039 F1043L939-M1004 HydrophobicContact CB-SD 3.99Å; L939-M1004 HydrophobicContact CD1-SD 4.45Å; M940-M1004 HydrophobicContact CE-CB 4.35Å; M940-M1004 HydrophobicContact CE-CG 3.48Å; M940-M1004 VanDerWaalsContact CE-CG 3.48Å; M940-M1004 HydrophobicContact SD-CG 3.82Å; L943-M1004 HydrophobicContact CD2-CB 3.8Å; L943-M1004 HydrophobicContact CD2-CG 4.07Å; L943-M1004 WeakPolarHBondContact CD2-O 3.48Å; F977-M1004 HydrophobicContact CD2-CE 4.31Å; M1000-M1004 HydrophobicContact CG-CE 4.43Å; M1000-M1004 WeakPolarHBondContact O-CE 3.44Å; M1000-M1004 VanDerWaalsContact O-CG 3.29Å; M1000-M1004 WeakPolarHBondContact O-CG 3.46Å; M1000-M1004 PolarHBondContact O-N 3.47Å; I1001-M1004 HydrophobicContact CG1-CE 4.33Å; I1001-M1004 WeakPolarHBondContact O-CB 3.32Å; I1001-M1004 PolarHBondContact O-N 3.46Å; I1001-M1004 VanDerWaalsContact O-N 3.16Å; W1002-M1004 PolarHBondContact O-N 2.98Å; M1004-Y1007 PolarHBondContact O-N 3.38Å; M1004-A1008 WeakPolarHBondContact O-CB 3.48Å; M1004-A1008 PolarHBondContact O-N 2.89Å; M1004-F1039 HydrophobicContact CB-CE1 3.61Å; M1004-F1039 HydrophobicContact CB-CZ 4.09Å; M1004-F1043 HydrophobicContact CE-CE1 4.41Å; M1004-F1043 HydrophobicContact CE-CZ 3.77Å
1005A93.3Very high91.3Very high0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-61.5-46.1174.900000111.9I1001 W1002 Y1007 A1008 N1009 F1039I1001-A1005 PolarHBondContact O-N 3.23Å; W1002-A1005 PolarHBondContact O-N 3.2Å; A1005-Y1007 VanDerWaalsContact C-N 3.34Å; A1005-Y1007 PolarHBondContact O-N 3.06Å; A1005-A1008 PolarHBondContact O-N 3.11Å; A1005-N1009 WeakPolarHBondContact O-CB 3.22Å; A1005-N1009 PolarHBondContact O-N 3.44Å; A1005-F1039 HydrophobicContact CB-CB 4.13Å; A1005-F1039 HydrophobicContact CB-CD1 4.07Å; A1005-F1039 HydrophobicContact CB-CD2 3.83Å; A1005-F1039 HydrophobicContact CB-CE1 4.46Å; A1005-F1039 HydrophobicContact CB-CE2 4.23Å; A1005-F1039 HydrophobicContact CB-CG 3.74Å
1006Q91.8Very high91.1Very high96 Ų9631 Ų3145%0.44915%0.151SC..Hα-helixtrans-60.5-41.9174.7-70.5176.913.700112.1W1002 N1009 K1010 Y1032W1002-Q1006 WeakPolarHBondContact O-CB 3.39Å; W1002-Q1006 WeakPolarHBondContact O-CG 3.29Å; W1002-Q1006 PolarHBondContact O-N 3.41Å; Q1006-N1009 PolarHBondContact O-N 3.16Å; Q1006-K1010 PolarHBondContact O-N 2.89Å; Q1006-Y1032 HydrophobicContact CG-CE2 3.99Å
1007Y91.2Very high90.6Very high8 Ų836.5 Ų36.53%0.03118%0.175CC..Hα-helixtrans-70.7-39.5179.3-172.6-145.2000112.7H714 M940 L943 R944 D1003 M1004 A1005 N1009 K1010 L1011H714-Y1007 HydrophobicContact CB-CD1 4.14Å; H714-Y1007 HydrophobicContact CB-CD2 4.31Å; H714-Y1007 HydrophobicContact CB-CE1 4.01Å; H714-Y1007 HydrophobicContact CB-CE2 4.18Å; H714-Y1007 HydrophobicContact CB-CG 4.27Å; H714-Y1007 AromaticContact CD2-CD2 3.18Å; H714-Y1007 WeakPolarHBondContact CD2-CD2 3.46Å; H714-Y1007 AromaticContact CD2-CE2 3.17Å; H714-Y1007 WeakPolarHBondContact CD2-CE2 3.27Å; H714-Y1007 AromaticContact CD2-CG 3.88Å; H714-Y1007 AromaticContact CD2-CZ 3.86Å; H714-Y1007 AromaticContact CG-CD2 3.6Å; H714-Y1007 AromaticContact CG-CE2 3.77Å; H714-Y1007 AromaticContact CG-CG 3.8Å; H714-Y1007 AromaticContact NE2-CD2 3.53Å; H714-Y1007 AromaticContact NE2-CE2 3.91Å; M940-Y1007 HydrophobicContact CB-CD1 4.46Å; M940-Y1007 HydrophobicContact CB-CE1 4.29Å; M940-Y1007 HydrophobicContact SD-CD1 3.69Å; M940-Y1007 HydrophobicContact SD-CE1 4.41Å; M940-Y1007 HydrophobicContact SD-CG 4.41Å; L943-Y1007 HydrophobicContact CD2-CD1 4.15Å; R944-Y1007 HydrophobicContact CB-CE1 4.01Å; R944-Y1007 WeakPolarHBondContact CD-OH 3.38Å; D1003-Y1007 VanDerWaalsContact O-CB 3.29Å; D1003-Y1007 WeakPolarHBondContact O-CB 3.28Å; D1003-Y1007 PolarHBondContact O-N 3.48Å; M1004-Y1007 PolarHBondContact O-N 3.38Å; A1005-Y1007 VanDerWaalsContact C-N 3.34Å; A1005-Y1007 PolarHBondContact O-N 3.06Å; Y1007-N1009 PolarHBondContact O-N 3.38Å; Y1007-K1010 HydrophobicContact CD2-CD 4.48Å; Y1007-K1010 WeakPolarHBondContact O-CB 3.26Å; Y1007-K1010 PolarHBondContact O-N 3.46Å; Y1007-L1011 HydrophobicContact CD1-CD1 4.33Å; Y1007-L1011 HydrophobicContact CD2-CD1 4.27Å; Y1007-L1011 HydrophobicContact CD2-CG 4.17Å; Y1007-L1011 HydrophobicContact CE1-CD1 4.2Å; Y1007-L1011 HydrophobicContact CE2-CD1 4.14Å; Y1007-L1011 HydrophobicContact CE2-CD2 4.12Å; Y1007-L1011 HydrophobicContact CE2-CG 4.05Å; Y1007-L1011 HydrophobicContact CG-CD1 4.39Å; Y1007-L1011 WeakPolarHBondContact O-CG 3.24Å; Y1007-L1011 PolarHBondContact O-N 3.37Å
1008A91.9Very high89.6Confident6 Ų640 Ų405%0.0521%0.214CC..Hα-helixtrans-59.2-46172.700000111.5L943 M1004 A1005 K1010 L1011 L1012 V1035 F1039L943-A1008 HydrophobicContact CD2-CB 4.43Å; M1004-A1008 WeakPolarHBondContact O-CB 3.48Å; M1004-A1008 PolarHBondContact O-N 2.89Å; A1005-A1008 PolarHBondContact O-N 3.11Å; A1008-K1010 PolarHBondContact O-N 3.06Å; A1008-L1011 PolarHBondContact O-N 3.39Å; A1008-L1012 WeakPolarHBondContact O-CB 3.37Å; A1008-L1012 PolarHBondContact O-N 3.42Å; A1008-V1035 HydrophobicContact CB-CG1 4.33Å; A1008-F1039 HydrophobicContact CB-CE2 3.79Å; A1008-F1039 HydrophobicContact CB-CZ 4.07Å
1009N90.3Very high88.9Confident22 Ų2242.4 Ų42.412%0.11823%0.227CC..Hα-helixtrans-61-39.9173.5173.462.1000112.8A1005 Q1006 Y1007 L1011 L1012 R1013 Y1032 V1035A1005-N1009 WeakPolarHBondContact O-CB 3.22Å; A1005-N1009 PolarHBondContact O-N 3.44Å; Q1006-N1009 PolarHBondContact O-N 3.16Å; Y1007-N1009 PolarHBondContact O-N 3.38Å; N1009-L1011 VanDerWaalsContact C-N 3.34Å; N1009-L1011 PolarHBondContact O-N 3.42Å; N1009-L1012 PolarHBondContact O-N 3.47Å; N1009-R1013 WeakPolarHBondContact O-CB 3.47Å; N1009-R1013 VanDerWaalsContact O-CG 3.3Å; N1009-R1013 WeakPolarHBondContact O-CG 3.29Å; N1009-R1013 PolarHBondContact O-N 3.07Å; N1009-R1013 WeakPolarHBondContact OD1-CD 3.39Å; N1009-R1013 PolarHBondContact OD1-NE 3.37Å; N1009-Y1032 HydrophobicContact CB-CD2 3.78Å; N1009-Y1032 HydrophobicContact CB-CE2 4.41Å; N1009-V1035 HydrophobicContact CB-CG1 4.4Å
1010K89.1Confident87.8Confident105 Ų10544.1 Ų44.146%0.45724%0.237SC..Hα-helixtrans-61.3-40.9173.7-177.3176.3179.7174.50111.9S713 Q1006 Y1007 A1008 S1014S713-K1010 PolarHBondContact OG-NZ 3.49Å; Q1006-K1010 PolarHBondContact O-N 2.89Å; Y1007-K1010 HydrophobicContact CD2-CD 4.48Å; Y1007-K1010 WeakPolarHBondContact O-CB 3.26Å; Y1007-K1010 PolarHBondContact O-N 3.46Å; A1008-K1010 PolarHBondContact O-N 3.06Å; K1010-S1014 WeakPolarHBondContact O-CB 3.42Å; K1010-S1014 PolarHBondContact O-N 3.26Å; K1010-S1014 PolarHBondContact O-OG 2.86Å
1011L89.1Confident86.4Confident21 Ų2144.4 Ų44.411%0.1124%0.239CC..Hα-helixtrans-70.2-43.1178.9-67.9169.3000112R944 C947 Y1007 A1008 N1009 R1013 S1014 S1015R944-L1011 HydrophobicContact CB-CD1 4.19Å; R944-L1011 HydrophobicContact CG-CD1 4.34Å; R944-L1011 HydrophobicContact CG-CD2 4.16Å; C947-L1011 HydrophobicContact CB-CB 4.11Å; C947-L1011 HydrophobicContact CB-CD1 3.71Å; Y1007-L1011 HydrophobicContact CD1-CD1 4.33Å; Y1007-L1011 HydrophobicContact CD2-CD1 4.27Å; Y1007-L1011 HydrophobicContact CD2-CG 4.17Å; Y1007-L1011 HydrophobicContact CE1-CD1 4.2Å; Y1007-L1011 HydrophobicContact CE2-CD1 4.14Å; Y1007-L1011 HydrophobicContact CE2-CD2 4.12Å; Y1007-L1011 HydrophobicContact CE2-CG 4.05Å; Y1007-L1011 HydrophobicContact CG-CD1 4.39Å; Y1007-L1011 WeakPolarHBondContact O-CG 3.24Å; Y1007-L1011 PolarHBondContact O-N 3.37Å; A1008-L1011 PolarHBondContact O-N 3.39Å; N1009-L1011 VanDerWaalsContact C-N 3.34Å; N1009-L1011 PolarHBondContact O-N 3.42Å; L1011-R1013 PolarHBondContact O-N 3.47Å; L1011-S1014 WeakPolarHBondContact CA-OG 3.28Å; L1011-S1014 PolarHBondContact O-N 3.06Å; L1011-S1014 PolarHBondContact O-OG 2.9Å; L1011-S1015 PolarHBondContact O-N 3.1Å; L1011-S1015 PolarHBondContact O-OG 3.45Å
1012L89.8Confident84.7Confident3 Ų344.7 Ų44.72%0.01624%0.242CC..Hα-helixtrans-54.6-52.1171.7175.868.2000111.2L952 V962 I966 A1008 N1009 S1014 S1015 N1016 V1030 V1035L952-L1012 HydrophobicContact CB-CD1 4.01Å; L952-L1012 HydrophobicContact CD2-CD1 4.32Å; L952-L1012 WeakPolarHBondContact O-CD1 3.34Å; V962-L1012 HydrophobicContact CG1-CD1 3.91Å; I966-L1012 HydrophobicContact CD1-CD2 4.38Å; A1008-L1012 WeakPolarHBondContact O-CB 3.37Å; A1008-L1012 PolarHBondContact O-N 3.42Å; N1009-L1012 PolarHBondContact O-N 3.47Å; L1012-S1014 VanDerWaalsContact C-N 3.3Å; L1012-S1014 PolarHBondContact O-N 3.4Å; L1012-S1015 WeakPolarHBondContact O-CB 3.47Å; L1012-S1015 PolarHBondContact O-N 3.46Å; L1012-S1015 VanDerWaalsContact O-N 3.1Å; L1012-N1016 PolarHBondContact O-N 2.92Å; L1012-N1016 VanDerWaalsContact O-N 3.13Å; L1012-N1016 PolarHBondContact O-ND2 2.93Å; L1012-V1030 HydrophobicContact CD2-CB 3.97Å; L1012-V1030 HydrophobicContact CD2-CG1 3.5Å; L1012-V1030 VanDerWaalsContact CD2-CG1 3.5Å; L1012-V1035 HydrophobicContact CD2-CG2 4.17Å
1013R88.3Confident83.1Confident72 Ų7245.8 Ų45.827%0.27225%0.254SS..Hα-helixtrans-64.6-32.2178.2-69.7172.1-178.5-94.2-16.6112.8N1009 L1011 S1015 N1016 L1021 G1022 V1030N1009-R1013 WeakPolarHBondContact O-CB 3.47Å; N1009-R1013 VanDerWaalsContact O-CG 3.3Å; N1009-R1013 WeakPolarHBondContact O-CG 3.29Å; N1009-R1013 PolarHBondContact O-N 3.07Å; N1009-R1013 WeakPolarHBondContact OD1-CD 3.39Å; N1009-R1013 PolarHBondContact OD1-NE 3.37Å; L1011-R1013 PolarHBondContact O-N 3.47Å; R1013-S1015 VanDerWaalsContact C-N 3.32Å; R1013-N1016 PolarHBondContact O-N 2.74Å; R1013-L1021 HydrophobicContact CB-CD1 4.17Å; R1013-L1021 HydrophobicContact CG-CD1 3.69Å; R1013-L1021 PolarHBondContact NH2-O 3.1Å; R1013-G1022 PolarHBondContact NH1-O 3.37Å; R1013-G1022 PolarHBondContact NH2-O 2.9Å; R1013-G1022 VanDerWaalsContact NH2-O 3.08Å; R1013-V1030 PolarHBondContact NH2-O 3.36Å
1014S86.2Confident81.2Confident62 Ų6252.2 Ų52.243%0.43428%0.28SS..Hα-helixtrans-72-24173.876.60000114.2K1010 L1011 L1012K1010-S1014 WeakPolarHBondContact O-CB 3.42Å; K1010-S1014 PolarHBondContact O-N 3.26Å; K1010-S1014 PolarHBondContact O-OG 2.86Å; L1011-S1014 WeakPolarHBondContact CA-OG 3.28Å; L1011-S1014 PolarHBondContact O-N 3.06Å; L1011-S1014 PolarHBondContact O-OG 2.9Å; L1012-S1014 VanDerWaalsContact C-N 3.3Å; L1012-S1014 PolarHBondContact O-N 3.4Å
1015S86.1Confident79.1Confident26 Ų2656.7 Ų56.718%0.18232%0.317CS..Hα-helixtrans-81.6-28.9175.6-510000111.8L1011 L1012 R1013L1011-S1015 PolarHBondContact O-N 3.1Å; L1011-S1015 PolarHBondContact O-OG 3.45Å; L1012-S1015 WeakPolarHBondContact O-CB 3.47Å; L1012-S1015 PolarHBondContact O-N 3.46Å; L1012-S1015 VanDerWaalsContact O-N 3.1Å; R1013-S1015 VanDerWaalsContact C-N 3.32Å
1016N87.4Confident77.3Confident5 Ų562.7 Ų62.73%0.02735%0.345CS..SBendtrans-11141.7-172.9-70-82.5000112.6L952 L954 L1012 R1013 G1018 L1019 L1021L952-N1016 PolarHBondContact O-ND2 2.72Å; L954-N1016 WeakPolarHBondContact CB-OD1 3.49Å; L954-N1016 PolarHBondContact N-OD1 3.14Å; L1012-N1016 PolarHBondContact O-N 2.92Å; L1012-N1016 VanDerWaalsContact O-N 3.13Å; L1012-N1016 PolarHBondContact O-ND2 2.93Å; R1013-N1016 PolarHBondContact O-N 2.74Å; N1016-G1018 PolarHBondContact O-N 2.69Å; N1016-L1019 HydrophobicContact CB-CD1 4.22Å; N1016-L1019 PolarHBondContact O-N 2.94Å; N1016-L1021 HydrophobicContact CB-CD1 3.71Å; N1016-L1021 HydrophobicContact CB-CD2 4.17Å; N1016-L1021 HydrophobicContact CB-CG 4.43Å
1017K81Confident75.7Confident167 Ų16764 Ų6473%0.72636%0.36SS*.THydrogen-bonded Turntrans-61.3133178-69.8-178179.4-176.90110.6
1018G73.2Confident74.3Confident83 Ų8364.8 Ų64.886%0.85637%0.371SS*.THydrogen-bonded Turntrans91.7-4.9-177.600000115.1N1016N1016-G1018 PolarHBondContact O-N 2.69Å
1019L76.9Confident73.3Confident69 Ų6967.8 Ų67.836%0.36139%0.388SS..SBendtrans-98.4142.2173.9-63179.8000111.9L954 N1016 L1021L954-L1019 HydrophobicContact CB-CD1 3.99Å; L954-L1019 HydrophobicContact CD1-CD1 4.36Å; N1016-L1019 HydrophobicContact CB-CD1 4.22Å; N1016-L1019 PolarHBondContact O-N 2.94Å; L1019-L1021 HydrophobicContact CB-CD2 4.49Å; L1019-L1021 HydrophobicContact CB-CG 4.36Å; L1019-L1021 PolarHBondContact O-N 3.46Å
1020I70.6Confident72.6Confident129 Ų12966.7 Ų66.766%0.66238%0.383SS*.  trans-80.683.2177.5-54.1179.6000109.6G1022 G1028 T1029I1020-G1022 PolarHBondContact O-N 3.36Å; I1020-G1028 VanDerWaalsContact O-CA 3.32Å; I1020-G1028 WeakPolarHBondContact O-CA 3.44Å; I1020-T1029 PolarHBondContact O-N 2.91Å
1021L64Low72.2Confident9 Ų963 Ų635%0.04737%0.367CS..  trans-79.77.5179.9-59.2159.6000113L954 R1013 N1016 L1019 V1030L954-L1021 HydrophobicContact CD1-CD2 3.68Å; R1013-L1021 HydrophobicContact CB-CD1 4.17Å; R1013-L1021 HydrophobicContact CG-CD1 3.69Å; R1013-L1021 PolarHBondContact NH2-O 3.1Å; N1016-L1021 HydrophobicContact CB-CD1 3.71Å; N1016-L1021 HydrophobicContact CB-CD2 4.17Å; N1016-L1021 HydrophobicContact CB-CG 4.43Å; L1019-L1021 HydrophobicContact CB-CD2 4.49Å; L1019-L1021 HydrophobicContact CB-CG 4.36Å; L1019-L1021 PolarHBondContact O-N 3.46Å; L1021-V1030 HydrophobicContact CD2-CB 4.38Å; L1021-V1030 HydrophobicContact CD2-CG2 4.5Å; L1021-V1030 CarbonylContact O-C 3.53Å; L1021-V1030 VanDerWaalsContact O-C 3.28Å
1022G58.8Low72Confident6 Ų663.7 Ų63.76%0.06237%0.368CS..  trans69.2172.3-179.700000114.9R1013 I1020 Q1026R1013-G1022 PolarHBondContact NH1-O 3.37Å; R1013-G1022 PolarHBondContact NH2-O 2.9Å; R1013-G1022 VanDerWaalsContact NH2-O 3.08Å; I1020-G1022 PolarHBondContact O-N 3.36Å; G1022-Q1026 CarbonylContact C-O 3.4Å; G1022-Q1026 WeakPolarHBondContact CA-O 3.45Å
1023S58.8Low71.8Confident49 Ų4965.6 Ų65.634%0.34338%0.377SS..BIsolated β-bridgetrans-149.2-176.6178.778.20000110A1025 Q1026S1023-A1025 PolarHBondContact O-N 3.03Å; S1023-A1025 PolarHBondContact OG-N 2.8Å; S1023-Q1026 PolarHBondContact N-O 3.42Å; S1023-Q1026 PolarHBondContact O-N 3.45Å; S1023-Q1026 PolarHBondContact OG-N 2.7Å
1024K53.5Low71.5Confident158 Ų15862.1 Ų62.169%0.68736%0.364SS*.THydrogen-bonded Turntrans-60-16.8173.4-72.5-169.2172.2-169.90114.6E1033K1024-E1033 WeakPolarHBondContact CE-OE1 3.32Å; K1024-E1033 WeakPolarHBondContact CG-OE1 3.43Å
1025A49.5Very low71.6Confident94 Ų9459.2 Ų59.278%0.77734%0.344SS*.THydrogen-bonded Turntrans-115.8-0.7179.800000113.7S1023S1023-A1025 PolarHBondContact O-N 3.03Å; S1023-A1025 PolarHBondContact OG-N 2.8Å
1026Q55.5Low71.8Confident126 Ų12659 Ų5959%0.58934%0.34SS*.BIsolated β-bridgetrans-141.6130.9-177.2-75.1176.2-32.200111.2G1022 S1023G1022-Q1026 CarbonylContact C-O 3.4Å; G1022-Q1026 WeakPolarHBondContact CA-O 3.45Å; S1023-Q1026 PolarHBondContact N-O 3.42Å; S1023-Q1026 PolarHBondContact O-N 3.45Å; S1023-Q1026 PolarHBondContact OG-N 2.7Å
1027T57.7Low71.8Confident123 Ų12359.2 Ų59.276%0.75534%0.341SS*.  trans-63.8153.4165.840.60000110.8
1028G63.3Low72.2Confident25 Ų2551.3 Ų51.326%0.25831%0.307SS..  trans170.6167.8-178.200000111.2I1020 V1030I1020-G1028 VanDerWaalsContact O-CA 3.32Å; I1020-G1028 WeakPolarHBondContact O-CA 3.44Å; G1028-V1030 PolarHBondContact O-N 2.89Å
1029T70.1Confident73.2Confident69 Ų6947.4 Ų47.442%0.42327%0.266SS..SBendtrans-65.8-29.9-156.650.90000115.5L959 I1020L959-T1029 WeakPolarHBondContact CD1-O 3.31Å; I1020-T1029 PolarHBondContact O-N 2.91Å
1030V76.3Confident73.9Confident0 Ų044.1 Ų44.10%025%0.249CC..SBendtrans-137.691.5172.7-169.50000112.5L954 L959 Y963 L1012 R1013 L1021 G1028 V1035L954-V1030 HydrophobicContact CD1-CG2 4.13Å; L959-V1030 HydrophobicContact CD1-CG2 3.56Å; Y963-V1030 HydrophobicContact CE1-CG1 3.74Å; L1012-V1030 HydrophobicContact CD2-CB 3.97Å; L1012-V1030 HydrophobicContact CD2-CG1 3.5Å; L1012-V1030 VanDerWaalsContact CD2-CG1 3.5Å; R1013-V1030 PolarHBondContact NH2-O 3.36Å; L1021-V1030 HydrophobicContact CD2-CB 4.38Å; L1021-V1030 HydrophobicContact CD2-CG2 4.5Å; L1021-V1030 CarbonylContact O-C 3.53Å; L1021-V1030 VanDerWaalsContact O-C 3.28Å; G1028-V1030 PolarHBondContact O-N 2.89Å; V1030-V1035 HydrophobicContact CG1-CG2 4.11Å
1031Q81.2Confident74.8Confident28 Ų2840.1 Ų40.113%0.13123%0.229CC..  trans-60.9147.7173.6-70.3174.6-36.100112E1033 A1034 N1073Q1031-E1033 HydrophobicContact CB-CB 4.49Å; Q1031-E1033 PolarHBondContact O-N 3.2Å; Q1031-A1034 WeakPolarHBondContact O-CB 3.49Å; Q1031-A1034 PolarHBondContact O-N 3.18Å; Q1031-N1073 PolarHBondContact OE1-ND2 3.11Å
1032Y84.3Confident76.2Confident34 Ų3439.7 Ų39.713%0.13323%0.227CC..Hα-helixtrans-61.5-37.3174.7162.4-102.2000111.2Q1006 N1009 A1034 V1035 E1036Q1006-Y1032 HydrophobicContact CG-CE2 3.99Å; N1009-Y1032 HydrophobicContact CB-CD2 3.78Å; N1009-Y1032 HydrophobicContact CB-CE2 4.41Å; Y1032-A1034 PolarHBondContact O-N 3.42Å; Y1032-V1035 WeakPolarHBondContact O-CB 3.49Å; Y1032-V1035 PolarHBondContact O-N 2.68Å; Y1032-V1035 VanDerWaalsContact O-N 3.07Å; Y1032-E1036 HydrophobicContact CE1-CB 4.33Å; Y1032-E1036 WeakPolarHBondContact CE1-OE2 3.5Å; Y1032-E1036 PolarHBondContact O-N 3.22Å; Y1032-E1036 PolarHBondContact OH-OE2 2.99Å
1033E84.4Confident77.9Confident43 Ų4339.4 Ų39.420%0.20122%0.224CC..Hα-helixtrans-58.7-33.2178-70.966.2-15300112.4K1024 Q1031 L1037 I1070K1024-E1033 WeakPolarHBondContact CE-OE1 3.32Å; K1024-E1033 WeakPolarHBondContact CG-OE1 3.43Å; Q1031-E1033 HydrophobicContact CB-CB 4.49Å; Q1031-E1033 PolarHBondContact O-N 3.2Å; E1033-L1037 WeakPolarHBondContact O-CB 3.3Å; E1033-L1037 PolarHBondContact O-N 3.11Å; E1033-I1070 HydrophobicContact CB-CD1 3.8Å; E1033-I1070 HydrophobicContact CB-CG1 4.12Å
1034A83.6Confident79.5Confident0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-70.6-41.2173.900000111.8Y963 Q1031 Y1032 L1037 L1038 N1073 I1077Y963-A1034 HydrophobicContact CE1-CB 3.89Å; Q1031-A1034 WeakPolarHBondContact O-CB 3.49Å; Q1031-A1034 PolarHBondContact O-N 3.18Å; Y1032-A1034 PolarHBondContact O-N 3.42Å; A1034-L1037 PolarHBondContact O-N 3.1Å; A1034-L1038 WeakPolarHBondContact O-CG 3.32Å; A1034-L1038 PolarHBondContact O-N 3.15Å; A1034-N1073 HydrophobicContact CB-CB 4.37Å; A1034-I1077 HydrophobicContact CB-CD1 4.02Å
1035V87.9Confident81.3Confident1 Ų134 Ų341%0.00620%0.198CC..Hα-helixtrans-64.8-41173.4-176.40000110.7A1008 N1009 L1012 V1030 Y1032 L1038 F1039A1008-V1035 HydrophobicContact CB-CG1 4.33Å; N1009-V1035 HydrophobicContact CB-CG1 4.4Å; L1012-V1035 HydrophobicContact CD2-CG2 4.17Å; V1030-V1035 HydrophobicContact CG1-CG2 4.11Å; Y1032-V1035 WeakPolarHBondContact O-CB 3.49Å; Y1032-V1035 PolarHBondContact O-N 2.68Å; Y1032-V1035 VanDerWaalsContact O-N 3.07Å; V1035-L1038 PolarHBondContact O-N 3Å; V1035-F1039 HydrophobicContact CG1-CD2 4.23Å; V1035-F1039 HydrophobicContact CG1-CE2 4.3Å; V1035-F1039 WeakPolarHBondContact O-CD2 3.26Å; V1035-F1039 PolarHBondContact O-N 3.29Å; V1035-F1039 VanDerWaalsContact O-N 3.08Å
1036E89.4Confident83.3Confident20 Ų2030 Ų309%0.09316%0.164CC..Hα-helixtrans-62.8-41175.8-165.4179.2118.300111.7W1002 Y1032 F1039 C1040 R1064W1002-E1036 HydrophobicContact CE3-CG 3.94Å; W1002-E1036 HydrophobicContact CZ3-CG 3.56Å; Y1032-E1036 HydrophobicContact CE1-CB 4.33Å; Y1032-E1036 WeakPolarHBondContact CE1-OE2 3.5Å; Y1032-E1036 PolarHBondContact O-N 3.22Å; Y1032-E1036 PolarHBondContact OH-OE2 2.99Å; E1036-F1039 WeakPolarHBondContact O-CB 3.26Å; E1036-F1039 PolarHBondContact O-N 3.03Å; E1036-C1040 PolarHBondContact O-N 2.83Å; E1036-C1040 PolarHBondContact O-SG 3Å; E1036-R1064 WeakPolarHBondContact OE1-CD 3.37Å; E1036-R1064 IonicContact OE1-CZ 2.69Å; E1036-R1064 IonicContact OE1-NE 3.98Å; E1036-R1064 IonicContact OE1-NH1 3.93Å; E1036-R1064 PolarHBondContact OE1-NH1 2.97Å; E1036-R1064 IonicContact OE2-NH1 2.74Å; E1036-R1064 PolarHBondContact OE2-NH1 3.33Å
1037L87.7Confident85.2Confident11 Ų1124 Ų246%0.05814%0.135CC..Hα-helixtrans-62.9-44.9175.2-179.660000112.2E1033 A1034 F1039 C1040 L1041 L1065 K1074 I1077E1033-L1037 WeakPolarHBondContact O-CB 3.3Å; E1033-L1037 PolarHBondContact O-N 3.11Å; A1034-L1037 PolarHBondContact O-N 3.1Å; L1037-F1039 VanDerWaalsContact C-N 3.27Å; L1037-F1039 PolarHBondContact O-N 3Å; L1037-C1040 WeakPolarHBondContact O-CB 3.38Å; L1037-C1040 PolarHBondContact O-N 3.32Å; L1037-C1040 VanDerWaalsContact O-N 3.1Å; L1037-L1041 HydrophobicContact CD1-CD1 4.02Å; L1037-L1041 HydrophobicContact CD1-CG 4.14Å; L1037-L1041 HydrophobicContact CG-CD1 3.88Å; L1037-L1041 HydrophobicContact CG-CG 4.45Å; L1037-L1041 WeakPolarHBondContact O-CG 3.49Å; L1037-L1041 PolarHBondContact O-N 2.93Å; L1037-L1065 HydrophobicContact CD1-CD2 3.89Å; L1037-K1074 HydrophobicContact CD2-CG 3.94Å; L1037-I1077 HydrophobicContact CD2-CD1 4.29Å
1038L89.9Confident86.8Confident1 Ų120.9 Ų20.91%0.00512%0.119CC..Hα-helixtrans-61-35.8175.1-71.2-178.6000112.3Y963 I966 Y967 A1034 V1035 S1042 I1077Y963-L1038 HydrophobicContact CD1-CD1 3.83Å; I966-L1038 HydrophobicContact CB-CD1 4.12Å; I966-L1038 HydrophobicContact CG2-CB 4.47Å; I966-L1038 HydrophobicContact CG2-CD1 3.75Å; Y967-L1038 HydrophobicContact CD2-CD2 4.28Å; A1034-L1038 WeakPolarHBondContact O-CG 3.32Å; A1034-L1038 PolarHBondContact O-N 3.15Å; V1035-L1038 PolarHBondContact O-N 3Å; L1038-S1042 VanDerWaalsContact O-CB 3.23Å; L1038-S1042 WeakPolarHBondContact O-CB 3.35Å; L1038-S1042 PolarHBondContact O-N 3.09Å; L1038-S1042 PolarHBondContact O-OG 3.18Å; L1038-I1077 HydrophobicContact CD2-CD1 4.21Å; L1038-I1077 HydrophobicContact CD2-CG1 4.23Å; L1038-I1077 HydrophobicContact CD2-CG2 3.88Å; L1038-I1077 HydrophobicContact CG-CD1 4.16Å
1039F93.3Very high88.2Confident0 Ų026.5 Ų26.50%014%0.138CC..Hα-helixtrans-65.5-44.9170.6-93.8-100.6000112.2V970 I1001 M1004 A1005 A1008 V1035 E1036 L1037 L1041 F1043V970-F1039 HydrophobicContact CB-CE2 4.4Å; V970-F1039 HydrophobicContact CG1-CB 4.47Å; V970-F1039 HydrophobicContact CG1-CD1 3.7Å; V970-F1039 HydrophobicContact CG1-CD2 3.87Å; V970-F1039 HydrophobicContact CG1-CE1 3.78Å; V970-F1039 HydrophobicContact CG1-CE2 3.95Å; V970-F1039 HydrophobicContact CG1-CG 3.75Å; V970-F1039 HydrophobicContact CG1-CZ 3.92Å; V970-F1039 HydrophobicContact CG2-CD2 3.96Å; V970-F1039 HydrophobicContact CG2-CE1 4.37Å; V970-F1039 HydrophobicContact CG2-CE2 3.43Å; V970-F1039 VanDerWaalsContact CG2-CE2 3.43Å; V970-F1039 HydrophobicContact CG2-CZ 3.68Å; I1001-F1039 HydrophobicContact CG2-CD1 4.33Å; M1004-F1039 HydrophobicContact CB-CE1 3.61Å; M1004-F1039 HydrophobicContact CB-CZ 4.09Å; A1005-F1039 HydrophobicContact CB-CB 4.13Å; A1005-F1039 HydrophobicContact CB-CD1 4.07Å; A1005-F1039 HydrophobicContact CB-CD2 3.83Å; A1005-F1039 HydrophobicContact CB-CE1 4.46Å; A1005-F1039 HydrophobicContact CB-CE2 4.23Å; A1005-F1039 HydrophobicContact CB-CG 3.74Å; A1008-F1039 HydrophobicContact CB-CE2 3.79Å; A1008-F1039 HydrophobicContact CB-CZ 4.07Å; V1035-F1039 HydrophobicContact CG1-CD2 4.23Å; V1035-F1039 HydrophobicContact CG1-CE2 4.3Å; V1035-F1039 WeakPolarHBondContact O-CD2 3.26Å; V1035-F1039 PolarHBondContact O-N 3.29Å; V1035-F1039 VanDerWaalsContact O-N 3.08Å; E1036-F1039 WeakPolarHBondContact O-CB 3.26Å; E1036-F1039 PolarHBondContact O-N 3.03Å; L1037-F1039 VanDerWaalsContact C-N 3.27Å; L1037-F1039 PolarHBondContact O-N 3Å; F1039-L1041 PolarHBondContact O-N 3.11Å; F1039-F1043 HydrophobicContact CD1-CD2 4.19Å; F1039-F1043 AromaticContact CD1-CE2 3.77Å; F1039-F1043 HydrophobicContact CD1-CE2 3.77Å; F1039-F1043 HydrophobicContact CE1-CE2 4.11Å; F1039-F1043 WeakPolarHBondContact O-CB 3.5Å; F1039-F1043 VanDerWaalsContact O-CD2 3.32Å; F1039-F1043 WeakPolarHBondContact O-CD2 3.4Å; F1039-F1043 PolarHBondContact O-N 2.79Å
1040C91.4Very high89.2Confident0 Ų026.3 Ų26.30%013%0.133CC..Hα-helixtrans-57.1-52.7176.6-64.70000111.3E1036 L1037 F1043 L1044 L1065E1036-C1040 PolarHBondContact O-N 2.83Å; E1036-C1040 PolarHBondContact O-SG 3Å; L1037-C1040 WeakPolarHBondContact O-CB 3.38Å; L1037-C1040 PolarHBondContact O-N 3.32Å; L1037-C1040 VanDerWaalsContact O-N 3.1Å; C1040-F1043 PolarHBondContact O-N 2.9Å; C1040-L1044 WeakPolarHBondContact O-CB 3.39Å; C1040-L1044 WeakPolarHBondContact O-CG 3.32Å; C1040-L1044 PolarHBondContact O-N 2.95Å; C1040-L1065 HydrophobicContact CB-CD2 4.04Å
1041L90.6Very high89.8Confident46 Ų4635.5 Ų35.524%0.24117%0.167CC..Hα-helixtrans-62.3-46.8-178.1-66.7166.6000112.1L1037 F1039 F1043 L1044 L1045 L1065 I1077 L1081L1037-L1041 HydrophobicContact CD1-CD1 4.02Å; L1037-L1041 HydrophobicContact CD1-CG 4.14Å; L1037-L1041 HydrophobicContact CG-CD1 3.88Å; L1037-L1041 HydrophobicContact CG-CG 4.45Å; L1037-L1041 WeakPolarHBondContact O-CG 3.49Å; L1037-L1041 PolarHBondContact O-N 2.93Å; F1039-L1041 PolarHBondContact O-N 3.11Å; L1041-F1043 PolarHBondContact O-N 2.74Å; L1041-L1044 PolarHBondContact O-N 3.07Å; L1041-L1045 WeakPolarHBondContact O-CB 3.41Å; L1041-L1045 PolarHBondContact O-N 3.09Å; L1041-L1065 HydrophobicContact CD2-CD2 3.75Å; L1041-L1065 HydrophobicContact CG-CD2 4.17Å; L1041-I1077 HydrophobicContact CD1-CG2 4.18Å; L1041-L1081 HydrophobicContact CD1-CD1 3.71Å
1042S92.8Very high90.1Very high0 Ų043.4 Ų43.40%020%0.204CC..Hα-helixtrans-61.4-41.4178.6-59.50000113Y967 L1038 V1046Y967-S1042 WeakPolarHBondContact CD2-OG 3.39Å; L1038-S1042 VanDerWaalsContact O-CB 3.23Å; L1038-S1042 WeakPolarHBondContact O-CB 3.35Å; L1038-S1042 PolarHBondContact O-N 3.09Å; L1038-S1042 PolarHBondContact O-OG 3.18Å; S1042-V1046 WeakPolarHBondContact O-CG2 3.47Å; S1042-V1046 PolarHBondContact O-N 2.9Å
1043F93.9Very high90.3Very high0 Ų045.9 Ų45.90%022%0.219CC..Hα-helixtrans-76.5-32.9178.4-84-102.9000112.2V970 A974 F977 I1001 M1004 F1039 C1040 L1041 L1047 L1061V970-F1043 HydrophobicContact CG1-CD2 4.32Å; V970-F1043 HydrophobicContact CG1-CE2 4.04Å; A974-F1043 HydrophobicContact CB-CD1 3.97Å; A974-F1043 HydrophobicContact CB-CD2 3.79Å; A974-F1043 HydrophobicContact CB-CE1 4.04Å; A974-F1043 HydrophobicContact CB-CE2 3.87Å; A974-F1043 HydrophobicContact CB-CG 3.85Å; A974-F1043 HydrophobicContact CB-CZ 4Å; F977-F1043 HydrophobicContact CB-CE1 3.87Å; F977-F1043 HydrophobicContact CB-CZ 4.25Å; F977-F1043 HydrophobicContact CD1-CD1 4.35Å; F977-F1043 AromaticContact CD1-CE1 3.79Å; F977-F1043 HydrophobicContact CD1-CE1 3.79Å; F977-F1043 HydrophobicContact CD2-CE1 4.13Å; F977-F1043 HydrophobicContact CE1-CE1 4.36Å; F977-F1043 AromaticContact CG-CE1 3.67Å; F977-F1043 HydrophobicContact CG-CE1 3.67Å; F977-F1043 HydrophobicContact CG-CZ 4.41Å; I1001-F1043 HydrophobicContact CD1-CD1 3.59Å; I1001-F1043 HydrophobicContact CD1-CE1 3.87Å; I1001-F1043 HydrophobicContact CD1-CG 4.28Å; I1001-F1043 HydrophobicContact CG1-CD1 3.89Å; I1001-F1043 HydrophobicContact CG1-CE1 3.67Å; I1001-F1043 HydrophobicContact CG1-CZ 4.18Å; I1001-F1043 HydrophobicContact CG2-CD1 4.45Å; I1001-F1043 HydrophobicContact CG2-CD2 4.27Å; I1001-F1043 HydrophobicContact CG2-CE2 4.37Å; I1001-F1043 HydrophobicContact CG2-CG 4.31Å; I1001-F1043 HydrophobicContact CG2-CZ 4.5Å; M1004-F1043 HydrophobicContact CE-CE1 4.41Å; M1004-F1043 HydrophobicContact CE-CZ 3.77Å; F1039-F1043 HydrophobicContact CD1-CD2 4.19Å; F1039-F1043 AromaticContact CD1-CE2 3.77Å; F1039-F1043 HydrophobicContact CD1-CE2 3.77Å; F1039-F1043 HydrophobicContact CE1-CE2 4.11Å; F1039-F1043 WeakPolarHBondContact O-CB 3.5Å; F1039-F1043 VanDerWaalsContact O-CD2 3.32Å; F1039-F1043 WeakPolarHBondContact O-CD2 3.4Å; F1039-F1043 PolarHBondContact O-N 2.79Å; C1040-F1043 PolarHBondContact O-N 2.9Å; L1041-F1043 PolarHBondContact O-N 2.74Å; F1043-L1047 HydrophobicContact CD1-CD1 4.15Å; F1043-L1047 WeakPolarHBondContact O-CB 3.08Å; F1043-L1047 WeakPolarHBondContact O-CG 3.32Å; F1043-L1047 PolarHBondContact O-N 3.36Å; F1043-L1061 HydrophobicContact CB-CD1 3.93Å
1044L92.9Very high90.7Very high16 Ų1644 Ų448%0.08421%0.211CC..Hα-helixtrans-64.8-44.8172.3-74.7174.9000111.7C1040 L1041 V1046 S1048 L1058 L1061 H1062 L1065C1040-L1044 WeakPolarHBondContact O-CB 3.39Å; C1040-L1044 WeakPolarHBondContact O-CG 3.32Å; C1040-L1044 PolarHBondContact O-N 2.95Å; L1041-L1044 PolarHBondContact O-N 3.07Å; L1044-V1046 VanDerWaalsContact C-N 3.31Å; L1044-V1046 PolarHBondContact O-N 3.01Å; L1044-S1048 WeakPolarHBondContact O-CB 3.49Å; L1044-S1048 PolarHBondContact O-N 2.79Å; L1044-S1048 PolarHBondContact O-OG 2.71Å; L1044-L1058 HydrophobicContact CD2-CD2 3.64Å; L1044-L1061 HydrophobicContact CD1-CB 4.33Å; L1044-L1061 HydrophobicContact CD2-CB 3.6Å; L1044-L1061 HydrophobicContact CD2-CD1 4.19Å; L1044-L1061 HydrophobicContact CG-CB 3.88Å; L1044-L1061 HydrophobicContact CG-CD1 4.42Å; L1044-H1062 VanDerWaalsContact CD2-CE1 3.4Å; L1044-H1062 WeakPolarHBondContact CD2-CE1 3.4Å; L1044-L1065 HydrophobicContact CD1-CD1 3.74Å; L1044-L1065 HydrophobicContact CD1-CD2 3.99Å; L1044-L1065 HydrophobicContact CD1-CG 4.06Å
1045L91.4Very high91Very high77 Ų7752.7 Ų52.740%0.40324%0.243SC..Hα-helixtrans-53.9-46.6176.9178.162.7000112V971 L1041 S1048V971-L1045 HydrophobicContact CG1-CD2 4.36Å; V971-L1045 HydrophobicContact CG2-CD2 4.33Å; L1041-L1045 WeakPolarHBondContact O-CB 3.41Å; L1041-L1045 PolarHBondContact O-N 3.09Å; L1045-S1048 PolarHBondContact O-OG 3.42Å
1046V92.5Very high91Very high9 Ų955.6 Ų55.66%0.05526%0.259CS..Hα-helixtrans-81.4-41.4-177177.70000113V971 A974 C975 H978 S1042 L1044V971-V1046 HydrophobicContact CG1-CG2 4.46Å; A974-V1046 HydrophobicContact CB-CB 3.97Å; A974-V1046 HydrophobicContact CB-CG1 4.4Å; A974-V1046 HydrophobicContact CB-CG2 3.81Å; C975-V1046 WeakPolarHBondContact SG-CG2 3.45Å; H978-V1046 HydrophobicContact CB-CG1 4.24Å; S1042-V1046 WeakPolarHBondContact O-CG2 3.47Å; S1042-V1046 PolarHBondContact O-N 2.9Å; L1044-V1046 VanDerWaalsContact C-N 3.31Å; L1044-V1046 PolarHBondContact O-N 3.01Å
1047L94.1Very high91Very high0 Ų054.7 Ų54.70%026%0.255CS..Hα-helixtrans-82.5-21.2-174-59.1-175.6000113.3F977 H978 F1043 H1050 R1051 Y1054 L1057 L1058 L1061F977-L1047 HydrophobicContact CD1-CD2 4.41Å; F977-L1047 HydrophobicContact CE1-CD1 4.38Å; F977-L1047 HydrophobicContact CE1-CD2 4.46Å; H978-L1047 HydrophobicContact CB-CD2 4.33Å; F1043-L1047 HydrophobicContact CD1-CD1 4.15Å; F1043-L1047 WeakPolarHBondContact O-CB 3.08Å; F1043-L1047 WeakPolarHBondContact O-CG 3.32Å; F1043-L1047 PolarHBondContact O-N 3.36Å; L1047-H1050 CarbonylContact O-C 3.55Å; L1047-H1050 VanDerWaalsContact O-C 3.29Å; L1047-H1050 PolarHBondContact O-N 2.96Å; L1047-H1050 VanDerWaalsContact O-N 3.1Å; L1047-R1051 PolarHBondContact O-N 3.03Å; L1047-Y1054 HydrophobicContact CB-CD2 4.12Å; L1047-Y1054 HydrophobicContact CB-CG 4.09Å; L1047-Y1054 HydrophobicContact CD1-CD1 4.21Å; L1047-Y1054 HydrophobicContact CD1-CG 4.26Å; L1047-Y1054 HydrophobicContact CD2-CD1 3.95Å; L1047-Y1054 HydrophobicContact CD2-CD2 3.79Å; L1047-Y1054 HydrophobicContact CD2-CE1 3.92Å; L1047-Y1054 HydrophobicContact CD2-CE2 3.79Å; L1047-Y1054 HydrophobicContact CD2-CG 3.89Å; L1047-Y1054 HydrophobicContact CG-CD2 4.45Å; L1047-Y1054 HydrophobicContact CG-CG 4.29Å; L1047-L1057 HydrophobicContact CD1-CD1 4.02Å; L1047-L1058 HydrophobicContact CB-CD2 3.86Å; L1047-L1061 HydrophobicContact CD1-CD1 4.49Å
1048S92.2Very high91.1Very high58 Ų5854.8 Ų54.841%0.40626%0.255SS..Hα-helixtrans-64.5-39.2176.457.50000112.5L1044 L1045 H1050 R1051L1044-S1048 WeakPolarHBondContact O-CB 3.49Å; L1044-S1048 PolarHBondContact O-N 2.79Å; L1044-S1048 PolarHBondContact O-OG 2.71Å; L1045-S1048 PolarHBondContact O-OG 3.42Å; S1048-H1050 PolarHBondContact O-N 3.16Å; S1048-R1051 WeakPolarHBondContact O-CB 3.32Å; S1048-R1051 PolarHBondContact O-N 2.86Å
1049Q91.9Very high90.9Very high143 Ų14358.2 Ų58.267%0.66828%0.276SS*.THydrogen-bonded Turntrans-56.1-16.7171.7-60.8-178.6-0.600113.1
1050H91.6Very high90.5Very high65 Ų6562.2 Ų62.230%0.30130%0.295SS..THydrogen-bonded Turntrans-12635.4-179.1-58.1-47.7000111.9H978 L1047 S1048 Q1052 L1053 Y1054H978-H1050 AromaticContact CE1-CD2 3.12Å; H978-H1050 PolarHBondContact CE1-CD2 2.87Å; H978-H1050 AromaticContact CE1-CG 3.69Å; H978-H1050 AromaticContact CE1-NE2 3.45Å; H978-H1050 PolarHBondContact CE1-NE2 2.69Å; H978-H1050 AromaticContact ND1-CD2 3.5Å; H978-H1050 PolarHBondContact ND1-CD2 3.3Å; H978-H1050 AromaticContact NE2-CD2 3.62Å; H978-H1050 AromaticContact NE2-NE2 3.45Å; H978-H1050 PolarHBondContact NE2-NE2 2.65Å; L1047-H1050 CarbonylContact O-C 3.55Å; L1047-H1050 VanDerWaalsContact O-C 3.29Å; L1047-H1050 PolarHBondContact O-N 2.96Å; L1047-H1050 VanDerWaalsContact O-N 3.1Å; S1048-H1050 PolarHBondContact O-N 3.16Å; H1050-Q1052 PolarHBondContact O-N 3.21Å; H1050-L1053 HydrophobicContact CB-CD1 4.5Å; H1050-L1053 PolarHBondContact O-N 3.08Å; H1050-Y1054 HydrophobicContact CB-CD2 3.67Å; H1050-Y1054 HydrophobicContact CB-CE2 3.64Å; H1050-Y1054 WeakPolarHBondContact O-CD2 3.39Å
1051R88.8Confident90.3Very high193 Ų19362.2 Ų62.273%0.72830%0.295SS*.Hα-helixtrans-42.1-40-174.2-169.1175.7-177.8-178.30.6115.3L1047 S1048 L1053 Y1054 R1055 L1058L1047-R1051 PolarHBondContact O-N 3.03Å; S1048-R1051 WeakPolarHBondContact O-CB 3.32Å; S1048-R1051 PolarHBondContact O-N 2.86Å; R1051-L1053 VanDerWaalsContact C-N 3.3Å; R1051-L1053 PolarHBondContact O-N 2.78Å; R1051-Y1054 PolarHBondContact O-N 2.92Å; R1051-R1055 PolarHBondContact O-N 3.42Å; R1051-L1058 HydrophobicContact CB-CD1 4.28Å; R1051-L1058 HydrophobicContact CG-CD1 4.04Å
1052Q88.3Confident90Very high194 Ų19464.5 Ų64.591%0.90730%0.304SS*.Hα-helixtrans-62.4-31.8178.3-66.6-178-4.100113.8H1050H1050-Q1052 PolarHBondContact O-N 3.21Å
1053L88.3Confident89.4Confident86 Ų8672.9 Ų72.945%0.4534%0.341SS..Hα-helixtrans-88.7-19.3-177.7-61.6178.9000113.6H1050 R1051H1050-L1053 HydrophobicContact CB-CD1 4.5Å; H1050-L1053 PolarHBondContact O-N 3.08Å; R1051-L1053 VanDerWaalsContact C-N 3.3Å; R1051-L1053 PolarHBondContact O-N 2.78Å
1054Y93.3Very high88.5Confident5 Ų578.4 Ų78.42%0.0236%0.361CS..Hα-helixtrans-13111.7-167.9-57.5-73000114.7F977 H978 V990 L1047 H1050 R1051 D1056 L1057 L1058F977-Y1054 HydrophobicContact CE1-CE1 4.49Å; H978-Y1054 AromaticContact ND1-CE2 3.44Å; H978-Y1054 WeakPolarHBondContact ND1-CE2 3.29Å; H978-Y1054 AromaticContact ND1-CZ 3.51Å; H978-Y1054 PolarHBondContact ND1-OH 3.18Å; V990-Y1054 HydrophobicContact CB-CD1 4.14Å; V990-Y1054 HydrophobicContact CB-CE1 4.18Å; V990-Y1054 HydrophobicContact CG1-CD1 4.15Å; V990-Y1054 HydrophobicContact CG2-CD1 4.08Å; V990-Y1054 HydrophobicContact CG2-CE1 3.67Å; L1047-Y1054 HydrophobicContact CB-CD2 4.12Å; L1047-Y1054 HydrophobicContact CB-CG 4.09Å; L1047-Y1054 HydrophobicContact CD1-CD1 4.21Å; L1047-Y1054 HydrophobicContact CD1-CG 4.26Å; L1047-Y1054 HydrophobicContact CD2-CD1 3.95Å; L1047-Y1054 HydrophobicContact CD2-CD2 3.79Å; L1047-Y1054 HydrophobicContact CD2-CE1 3.92Å; L1047-Y1054 HydrophobicContact CD2-CE2 3.79Å; L1047-Y1054 HydrophobicContact CD2-CG 3.89Å; L1047-Y1054 HydrophobicContact CG-CD2 4.45Å; L1047-Y1054 HydrophobicContact CG-CG 4.29Å; H1050-Y1054 HydrophobicContact CB-CD2 3.67Å; H1050-Y1054 HydrophobicContact CB-CE2 3.64Å; H1050-Y1054 WeakPolarHBondContact O-CD2 3.39Å; R1051-Y1054 PolarHBondContact O-N 2.92Å; Y1054-D1056 PolarHBondContact O-N 3.19Å; Y1054-L1057 HydrophobicContact CD1-CD1 4.19Å; Y1054-L1057 PolarHBondContact O-N 3.02Å; Y1054-L1058 WeakPolarHBondContact O-CG 3.49Å; Y1054-L1058 PolarHBondContact O-N 3.1Å
1055R89.6Confident87.4Confident181 Ų18179 Ų7968%0.68337%0.365SS*.Hα-helixtrans-40.5-46.7-179.8-175.7179.4-179.3172.5-0.2112.9R1051 L1058 T1059R1051-R1055 PolarHBondContact O-N 3.42Å; R1055-L1058 PolarHBondContact O-N 3.28Å; R1055-T1059 PolarHBondContact O-N 3.03Å
1056D87.2Confident85.9Confident63 Ų6384.3 Ų84.334%0.33738%0.381SS..Hα-helixtrans-75.5-23.4-174.4-42.3-47.3000113.8P994 Y1054 T1059 H1060P994-D1056 HydrophobicContact CB-CB 3.8Å; P994-D1056 HydrophobicContact CG-CB 4.09Å; Y1054-D1056 PolarHBondContact O-N 3.19Å; D1056-T1059 PolarHBondContact O-OG1 3.3Å; D1056-H1060 PolarHBondContact O-ND1 3.49Å
1057L89.8Confident84Confident1 Ų186 Ų861%0.00539%0.391CS..Hα-helixtrans-80.7-42.6169-67.1-173.2000110.9F977 V990 P994 F997 L998 I1001 L1047 Y1054 T1059 H1060 L1061F977-L1057 HydrophobicContact CE1-CD1 4.33Å; F977-L1057 HydrophobicContact CZ-CD1 4.25Å; V990-L1057 HydrophobicContact CG1-CD1 3.61Å; V990-L1057 HydrophobicContact CG1-CD2 4.32Å; V990-L1057 HydrophobicContact CG1-CG 3.71Å; P994-L1057 HydrophobicContact CB-CD2 4.37Å; P994-L1057 WeakPolarHBondContact O-CD2 3.29Å; F997-L1057 HydrophobicContact CB-CD1 4.23Å; F997-L1057 HydrophobicContact CB-CD2 4.25Å; L998-L1057 HydrophobicContact CB-CD2 3.72Å; L998-L1057 HydrophobicContact CD1-CD2 4.35Å; I1001-L1057 HydrophobicContact CD1-CD1 4.24Å; L1047-L1057 HydrophobicContact CD1-CD1 4.02Å; Y1054-L1057 HydrophobicContact CD1-CD1 4.19Å; Y1054-L1057 PolarHBondContact O-N 3.02Å; L1057-T1059 VanDerWaalsContact C-N 3.31Å; L1057-T1059 PolarHBondContact O-N 2.92Å; L1057-H1060 PolarHBondContact O-N 3Å; L1057-H1060 VanDerWaalsContact O-N 3.1Å; L1057-L1061 WeakPolarHBondContact O-CG 3.44Å; L1057-L1061 PolarHBondContact O-N 2.94Å
1058L89.9Confident81.8Confident12 Ų1292 Ų926%0.06343%0.43CS..Hα-helixtrans-57.7-43.2-176.5-68.7173.5000111.5L1044 L1047 R1051 Y1054 R1055 H1060 L1061 H1062L1044-L1058 HydrophobicContact CD2-CD2 3.64Å; L1047-L1058 HydrophobicContact CB-CD2 3.86Å; R1051-L1058 HydrophobicContact CB-CD1 4.28Å; R1051-L1058 HydrophobicContact CG-CD1 4.04Å; Y1054-L1058 WeakPolarHBondContact O-CG 3.49Å; Y1054-L1058 PolarHBondContact O-N 3.1Å; R1055-L1058 PolarHBondContact O-N 3.28Å; L1058-H1060 VanDerWaalsContact C-N 3.3Å; L1058-H1060 PolarHBondContact O-N 3.35Å; L1058-L1061 PolarHBondContact O-N 3.38Å; L1058-H1062 PolarHBondContact O-N 3.35Å; L1058-H1062 PolarHBondContact O-ND1 3.06Å
1059T85.6Confident79.9Confident73 Ų7398.9 Ų98.945%0.44845%0.447SS..Hα-helixtrans-59.8-37.2177.250.80000113.3R1055 D1056 L1057 K1063R1055-T1059 PolarHBondContact O-N 3.03Å; D1056-T1059 PolarHBondContact O-OG1 3.3Å; L1057-T1059 VanDerWaalsContact C-N 3.31Å; L1057-T1059 PolarHBondContact O-N 2.92Å; T1059-K1063 WeakPolarHBondContact O-CG 3.37Å; T1059-K1063 PolarHBondContact O-N 3.05Å
1060H85.1Confident78.1Confident84 Ų8492.3 Ų92.339%0.38942%0.417SS..Hα-helixtrans-76.3-34.6178.3-69.889.1000112.8L998 D1056 L1057 L1058L998-H1060 HydrophobicContact CD1-CB 4.01Å; L998-H1060 HydrophobicContact CD2-CB 3.68Å; D1056-H1060 PolarHBondContact O-ND1 3.49Å; L1057-H1060 PolarHBondContact O-N 3Å; L1057-H1060 VanDerWaalsContact O-N 3.1Å; L1058-H1060 VanDerWaalsContact C-N 3.3Å; L1058-H1060 PolarHBondContact O-N 3.35Å
1061L86.4Confident76.3Confident0 Ų095.4 Ų95.40%043%0.434CS..Hα-helixtrans-70.4-42.2176.9-67.8172.2000112.1W1002 F1043 L1044 L1047 L1057 L1058 K1063 R1064W1002-L1061 HydrophobicContact CH2-CD2 3.88Å; W1002-L1061 HydrophobicContact CZ2-CD2 4.14Å; F1043-L1061 HydrophobicContact CB-CD1 3.93Å; L1044-L1061 HydrophobicContact CD1-CB 4.33Å; L1044-L1061 HydrophobicContact CD2-CB 3.6Å; L1044-L1061 HydrophobicContact CD2-CD1 4.19Å; L1044-L1061 HydrophobicContact CG-CB 3.88Å; L1044-L1061 HydrophobicContact CG-CD1 4.42Å; L1047-L1061 HydrophobicContact CD1-CD1 4.49Å; L1057-L1061 WeakPolarHBondContact O-CG 3.44Å; L1057-L1061 PolarHBondContact O-N 2.94Å; L1058-L1061 PolarHBondContact O-N 3.38Å; L1061-K1063 VanDerWaalsContact C-N 3.33Å; L1061-K1063 PolarHBondContact O-N 2.85Å; L1061-R1064 PolarHBondContact O-N 2.92Å; L1061-R1064 VanDerWaalsContact O-N 3.08Å
1062H84.3Confident74.5Confident95 Ų9593.9 Ų93.944%0.4443%0.433SS..Hα-helixtrans-61.5-40176.4-72.294.4000112.2L1044 L1058 R1064 L1065L1044-H1062 VanDerWaalsContact CD2-CE1 3.4Å; L1044-H1062 WeakPolarHBondContact CD2-CE1 3.4Å; L1058-H1062 PolarHBondContact O-N 3.35Å; L1058-H1062 PolarHBondContact O-ND1 3.06Å; H1062-R1064 PolarHBondContact O-N 3.25Å; H1062-L1065 PolarHBondContact O-N 2.87Å; H1062-L1065 VanDerWaalsContact O-N 3.14Å
1063K80.9Confident72.9Confident176 Ų17685.4 Ų85.477%0.76539%0.394SS*.THydrogen-bonded Turntrans-59.7-15.9175.5-76.2-177.9176.7-170.80114.1T1059 L1061T1059-K1063 WeakPolarHBondContact O-CG 3.37Å; T1059-K1063 PolarHBondContact O-N 3.05Å; L1061-K1063 VanDerWaalsContact C-N 3.33Å; L1061-K1063 PolarHBondContact O-N 2.85Å
1064R75.1Confident71.4Confident116 Ų11684.2 Ų84.244%0.43839%0.385SS..THydrogen-bonded Turntrans-99.1-0.9-179.8-75.9-102.1169157.7-0.2114.4W1002 E1036 L1061 H1062 P1067W1002-R1064 HydrophobicContact CH2-CB 4.07Å; W1002-R1064 HydrophobicContact CH2-CG 3.85Å; W1002-R1064 HydrophobicContact CZ2-CG 4Å; E1036-R1064 WeakPolarHBondContact OE1-CD 3.37Å; E1036-R1064 IonicContact OE1-CZ 2.69Å; E1036-R1064 IonicContact OE1-NE 3.98Å; E1036-R1064 IonicContact OE1-NH1 3.93Å; E1036-R1064 PolarHBondContact OE1-NH1 2.97Å; E1036-R1064 IonicContact OE2-NH1 2.74Å; E1036-R1064 PolarHBondContact OE2-NH1 3.33Å; L1061-R1064 PolarHBondContact O-N 2.92Å; L1061-R1064 VanDerWaalsContact O-N 3.08Å; H1062-R1064 PolarHBondContact O-N 3.25Å; R1064-P1067 WeakPolarHBondContact O-CD 3.43Å
1065L70Confident69.5Low29 Ų2988.5 Ų88.515%0.15241%0.408CS..SBendtrans-75.5-19.5177.5-66.8175.6000114.5L1037 C1040 L1041 L1044 H1062 P1067 K1074L1037-L1065 HydrophobicContact CD1-CD2 3.89Å; C1040-L1065 HydrophobicContact CB-CD2 4.04Å; L1041-L1065 HydrophobicContact CD2-CD2 3.75Å; L1041-L1065 HydrophobicContact CG-CD2 4.17Å; L1044-L1065 HydrophobicContact CD1-CD1 3.74Å; L1044-L1065 HydrophobicContact CD1-CD2 3.99Å; L1044-L1065 HydrophobicContact CD1-CG 4.06Å; H1062-L1065 PolarHBondContact O-N 2.87Å; H1062-L1065 VanDerWaalsContact O-N 3.14Å; L1065-P1067 WeakPolarHBondContact O-CD 3.29Å; L1065-K1074 PolarHBondContact O-NZ 2.81Å; L1065-K1074 VanDerWaalsContact O-NZ 3.11Å
1066Y58.5Low68Low188 Ų18881.6 Ų81.674%0.73739%0.385SS*.  trans-112.850.1-173.1-56.9-88000115.7
1067P54Low66.7Low43 Ų4378.7 Ų78.728%0.27937%0.37SS..  trans-71.5135168.2-14.431.7000110.9R1064 L1065 R1069 I1070R1064-P1067 WeakPolarHBondContact O-CD 3.43Å; L1065-P1067 WeakPolarHBondContact O-CD 3.29Å; P1067-R1069 PolarHBondContact O-N 3.33Å; P1067-R1069 VanDerWaalsContact O-N 3.15Å; P1067-I1070 HydrophobicContact CB-CD1 3.9Å; P1067-I1070 HydrophobicContact CB-CG1 4.2Å; P1067-I1070 HydrophobicContact CG-CD1 3.73Å
1068P47.9Very low65.3Low126 Ų12682.7 Ų82.782%0.81839%0.394SS*.THydrogen-bonded Turntrans-761.2-172.329.6-36.5000115.4
1069R51.5Low63.7Low203 Ų20386.4 Ų86.477%0.76641%0.414SS*.THydrogen-bonded Turntrans-111.112.4-175.6-69.6-171.7174.5-171.4-2.8114.9P1067P1067-R1069 PolarHBondContact O-N 3.33Å; P1067-R1069 VanDerWaalsContact O-N 3.15Å
1070I55.3Low62.5Low5 Ų583 Ų833%0.02639%0.393CS..  trans-120.480.7-176.4-39.4172.3000109.5E1033 P1067 N1073 K1074E1033-I1070 HydrophobicContact CB-CD1 3.8Å; E1033-I1070 HydrophobicContact CB-CG1 4.12Å; P1067-I1070 HydrophobicContact CB-CD1 3.9Å; P1067-I1070 HydrophobicContact CB-CG1 4.2Å; P1067-I1070 HydrophobicContact CG-CD1 3.73Å; I1070-N1073 HydrophobicContact CG2-CB 3.81Å; I1070-K1074 HydrophobicContact CB-CG 4.35Å; I1070-K1074 HydrophobicContact CG2-CG 3.98Å; I1070-K1074 WeakPolarHBondContact O-CD 3.42Å; I1070-K1074 WeakPolarHBondContact O-CG 3.36Å
1071I52.9Low61.3Low131 Ų13181 Ų8167%0.67239%0.385SS*.SBendtrans-101.2-65.9175.3-59178.8000109.8N1073 K1074 I1075I1071-N1073 PolarHBondContact O-N 3.39Å; I1071-K1074 WeakPolarHBondContact O-CA 3.46Å; I1071-K1074 WeakPolarHBondContact O-CB 3.48Å; I1071-K1074 PolarHBondContact O-N 3.38Å; I1071-I1075 PolarHBondContact O-N 3.23Å
1072F50.1Low59.7Low160 Ų16084 Ų8470%0.70241%0.41SS*.Hα-helixtrans-56.9-48.5-178.1-162.7-91.8000113.1K1074 I1075F1072-K1074 PolarHBondContact O-N 2.8Å; F1072-I1075 PolarHBondContact O-N 3.47Å; F1072-I1075 VanDerWaalsContact O-N 3.15Å
1073N54.8Low57.9Low17 Ų1782 Ų829%0.09141%0.407CS..Hα-helixtrans-65.5-18.3175.1-80.7-42.6000113.6Y963 Q1031 A1034 I1070 I1071 I1077Y963-N1073 PolarHBondContact OH-OD1 3.24Å; Q1031-N1073 PolarHBondContact OE1-ND2 3.11Å; A1034-N1073 HydrophobicContact CB-CB 4.37Å; I1070-N1073 HydrophobicContact CG2-CB 3.81Å; I1071-N1073 PolarHBondContact O-N 3.39Å; N1073-I1077 VanDerWaalsContact O-CB 3.29Å; N1073-I1077 WeakPolarHBondContact O-CB 3.26Å; N1073-I1077 WeakPolarHBondContact O-CD1 3.37Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.49Å; N1073-I1077 PolarHBondContact O-N 3.46Å
1074K56.5Low56.3Low61 Ų6174.6 Ų74.627%0.26538%0.376SS..Hα-helixtrans-74.9-35.2172.3-91.3-173.9-171.7179.50112L1037 L1065 I1070 I1071 F1072 I1077 V1078L1037-K1074 HydrophobicContact CD2-CG 3.94Å; L1065-K1074 PolarHBondContact O-NZ 2.81Å; L1065-K1074 VanDerWaalsContact O-NZ 3.11Å; I1070-K1074 HydrophobicContact CB-CG 4.35Å; I1070-K1074 HydrophobicContact CG2-CG 3.98Å; I1070-K1074 WeakPolarHBondContact O-CD 3.42Å; I1070-K1074 WeakPolarHBondContact O-CG 3.36Å; I1071-K1074 WeakPolarHBondContact O-CA 3.46Å; I1071-K1074 WeakPolarHBondContact O-CB 3.48Å; I1071-K1074 PolarHBondContact O-N 3.38Å; F1072-K1074 PolarHBondContact O-N 2.8Å; K1074-I1077 PolarHBondContact O-N 3.3Å; K1074-V1078 WeakPolarHBondContact O-CB 3.44Å; K1074-V1078 VanDerWaalsContact O-CG2 3.22Å; K1074-V1078 WeakPolarHBondContact O-CG2 3.46Å; K1074-V1078 PolarHBondContact O-N 3.21Å
1075I54.6Low54.2Low95 Ų9580 Ų8049%0.48740%0.397SS..Hα-helixtrans-61.3-60.6178.8-60.4170.7000109I1071 F1072 I1077 V1078 D1079I1071-I1075 PolarHBondContact O-N 3.23Å; F1072-I1075 PolarHBondContact O-N 3.47Å; F1072-I1075 VanDerWaalsContact O-N 3.15Å; I1075-I1077 PolarHBondContact O-N 3.45Å; I1075-I1077 VanDerWaalsContact O-N 3.12Å; I1075-V1078 WeakPolarHBondContact O-CA 3.45Å; I1075-V1078 WeakPolarHBondContact O-CB 3.38Å; I1075-V1078 PolarHBondContact O-N 3.04Å; I1075-D1079 WeakPolarHBondContact CG2-OD2 3.13Å; I1075-D1079 VanDerWaalsContact O-CG 3.32Å; I1075-D1079 PolarHBondContact O-N 3.11Å; I1075-D1079 VanDerWaalsContact O-OD2 3.13Å
1076V58.3Low52.3Low35 Ų3588.5 Ų88.521%0.21245%0.449CS..Hα-helixtrans-54.2-38.4177.4-176.90000112.6Y963 V1080Y963-V1076 HydrophobicContact CD2-CG1 4.08Å; Y963-V1076 HydrophobicContact CE2-CG1 4.39Å; V1076-V1080 WeakPolarHBondContact O-CB 3.42Å; V1076-V1080 VanDerWaalsContact O-CG2 3.22Å; V1076-V1080 WeakPolarHBondContact O-CG2 3.25Å; V1076-V1080 PolarHBondContact O-N 3.26Å
1077I60Low51.9Low2 Ų283.6 Ų83.61%0.0144%0.435CS..Hα-helixtrans-69.8-39.4175.7-75.2173.9000111.9A1034 L1037 L1038 L1041 N1073 K1074 I1075 V1080 L1081A1034-I1077 HydrophobicContact CB-CD1 4.02Å; L1037-I1077 HydrophobicContact CD2-CD1 4.29Å; L1038-I1077 HydrophobicContact CD2-CD1 4.21Å; L1038-I1077 HydrophobicContact CD2-CG1 4.23Å; L1038-I1077 HydrophobicContact CD2-CG2 3.88Å; L1038-I1077 HydrophobicContact CG-CD1 4.16Å; L1041-I1077 HydrophobicContact CD1-CG2 4.18Å; N1073-I1077 VanDerWaalsContact O-CB 3.29Å; N1073-I1077 WeakPolarHBondContact O-CB 3.26Å; N1073-I1077 WeakPolarHBondContact O-CD1 3.37Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.49Å; N1073-I1077 PolarHBondContact O-N 3.46Å; K1074-I1077 PolarHBondContact O-N 3.3Å; I1075-I1077 PolarHBondContact O-N 3.45Å; I1075-I1077 VanDerWaalsContact O-N 3.12Å; I1077-V1080 PolarHBondContact O-N 3.29Å; I1077-L1081 HydrophobicContact CG2-CD1 3.63Å; I1077-L1081 HydrophobicContact CG2-CG 4.39Å; I1077-L1081 WeakPolarHBondContact O-CB 3.4Å; I1077-L1081 VanDerWaalsContact O-CD1 3.24Å; I1077-L1081 WeakPolarHBondContact O-CD1 3.13Å; I1077-L1081 WeakPolarHBondContact O-CG 2.94Å; I1077-L1081 PolarHBondContact O-N 2.99Å
1078V59.8Low51.8Low85 Ų8585.7 Ų85.752%0.51544%0.443SS..Hα-helixtrans-65.2-41.2176.2164.50000111K1074 I1075 L1081 A1082K1074-V1078 WeakPolarHBondContact O-CB 3.44Å; K1074-V1078 VanDerWaalsContact O-CG2 3.22Å; K1074-V1078 WeakPolarHBondContact O-CG2 3.46Å; K1074-V1078 PolarHBondContact O-N 3.21Å; I1075-V1078 WeakPolarHBondContact O-CA 3.45Å; I1075-V1078 WeakPolarHBondContact O-CB 3.38Å; I1075-V1078 PolarHBondContact O-N 3.04Å; V1078-L1081 CarbonylContact O-C 3.54Å; V1078-L1081 WeakPolarHBondContact O-CB 3.35Å; V1078-L1081 PolarHBondContact O-N 2.97Å; V1078-L1081 VanDerWaalsContact O-N 3.11Å; V1078-A1082 PolarHBondContact O-N 2.95Å
1079D56.2Low52.1Low91 Ų9183.4 Ų83.449%0.48742%0.422SS..Hα-helixtrans-65.8-42.4177.1-57.4-36.1000111.2I1075 L1081 A1082 S1083I1075-D1079 WeakPolarHBondContact CG2-OD2 3.13Å; I1075-D1079 VanDerWaalsContact O-CG 3.32Å; I1075-D1079 PolarHBondContact O-N 3.11Å; I1075-D1079 VanDerWaalsContact O-OD2 3.13Å; D1079-L1081 VanDerWaalsContact C-N 3.25Å; D1079-L1081 PolarHBondContact O-N 3.19Å; D1079-A1082 PolarHBondContact O-N 2.78Å; D1079-S1083 WeakPolarHBondContact O-CB 3.45Å; D1079-S1083 PolarHBondContact O-N 2.88Å; D1079-S1083 PolarHBondContact O-OG 3.25Å
1080V59.4Low52.1Low1 Ų176.4 Ų76.41%0.00640%0.402CS..Hα-helixtrans-61-31.9171.3166.10000112.5E960 R964 V1076 I1077 S1083 T1084E960-V1080 HydrophobicContact CG-CG2 3.38Å; R964-V1080 HydrophobicContact CB-CG1 3.99Å; R964-V1080 HydrophobicContact CG-CG1 4.14Å; V1076-V1080 WeakPolarHBondContact O-CB 3.42Å; V1076-V1080 VanDerWaalsContact O-CG2 3.22Å; V1076-V1080 WeakPolarHBondContact O-CG2 3.25Å; V1076-V1080 PolarHBondContact O-N 3.26Å; I1077-V1080 PolarHBondContact O-N 3.29Å; V1080-S1083 PolarHBondContact O-OG 2.84Å; V1080-T1084 WeakPolarHBondContact O-CB 3.3Å; V1080-T1084 VanDerWaalsContact O-CG2 3.26Å; V1080-T1084 WeakPolarHBondContact O-CG2 3.4Å; V1080-T1084 PolarHBondContact O-N 2.83Å; V1080-T1084 PolarHBondContact O-OG1 3.33Å
1081L60.9Low51.9Low41 Ų4180.9 Ų80.922%0.21543%0.426CS..Hα-helixtrans-80-36.2177.5-70.5161.2000112.2Y967 L1041 I1077 V1078 D1079 T1084Y967-L1081 HydrophobicContact CD1-CD2 4.22Å; Y967-L1081 HydrophobicContact CD2-CD2 4.07Å; Y967-L1081 HydrophobicContact CE1-CD2 3.73Å; Y967-L1081 HydrophobicContact CE2-CD2 3.56Å; Y967-L1081 HydrophobicContact CG-CD2 4.38Å; L1041-L1081 HydrophobicContact CD1-CD1 3.71Å; I1077-L1081 HydrophobicContact CG2-CD1 3.63Å; I1077-L1081 HydrophobicContact CG2-CG 4.39Å; I1077-L1081 WeakPolarHBondContact O-CB 3.4Å; I1077-L1081 VanDerWaalsContact O-CD1 3.24Å; I1077-L1081 WeakPolarHBondContact O-CD1 3.13Å; I1077-L1081 WeakPolarHBondContact O-CG 2.94Å; I1077-L1081 PolarHBondContact O-N 2.99Å; V1078-L1081 CarbonylContact O-C 3.54Å; V1078-L1081 WeakPolarHBondContact O-CB 3.35Å; V1078-L1081 PolarHBondContact O-N 2.97Å; V1078-L1081 VanDerWaalsContact O-N 3.11Å; D1079-L1081 VanDerWaalsContact C-N 3.25Å; D1079-L1081 PolarHBondContact O-N 3.19Å; L1081-T1084 PolarHBondContact O-N 3.22Å; L1081-T1084 PolarHBondContact O-OG1 3.09Å
1082A53.5Low51.8Low65 Ų6577.5 Ų77.554%0.53741%0.409SS..Hα-helixtrans-62.6-48.6171.100000110.4V1078 D1079 T1084 R1085V1078-A1082 PolarHBondContact O-N 2.95Å; D1079-A1082 PolarHBondContact O-N 2.78Å; A1082-T1084 PolarHBondContact O-N 3.43Å; A1082-T1084 VanDerWaalsContact O-N 3.08Å; A1082-R1085 PolarHBondContact O-N 3.11Å
1083S46.8Very low51.9Low53 Ų5371.6 Ų71.637%0.37139%0.388SS..THydrogen-bonded Turntrans-73.78.2177.4820000114.7R964 D1079 V1080R964-S1083 PolarHBondContact NH2-O 3.24Å; D1079-S1083 WeakPolarHBondContact O-CB 3.45Å; D1079-S1083 PolarHBondContact O-N 2.88Å; D1079-S1083 PolarHBondContact O-OG 3.25Å; V1080-S1083 PolarHBondContact O-OG 2.84Å
1084T45.4Very low51.7Low19 Ų1975.8 Ų75.812%0.11741%0.411CS..THydrogen-bonded Turntrans-129.120.517456.10000114.8R964 Y967 V1080 L1081 A1082 V1086R964-T1084 HydrophobicContact CG-CG2 3.89Å; Y967-T1084 WeakPolarHBondContact CE1-OG1 3.15Å; V1080-T1084 WeakPolarHBondContact O-CB 3.3Å; V1080-T1084 VanDerWaalsContact O-CG2 3.26Å; V1080-T1084 WeakPolarHBondContact O-CG2 3.4Å; V1080-T1084 PolarHBondContact O-N 2.83Å; V1080-T1084 PolarHBondContact O-OG1 3.33Å; L1081-T1084 PolarHBondContact O-N 3.22Å; L1081-T1084 PolarHBondContact O-OG1 3.09Å; A1082-T1084 PolarHBondContact O-N 3.43Å; A1082-T1084 VanDerWaalsContact O-N 3.08Å; T1084-V1086 PolarHBondContact O-N 2.64Å
1085R32.3Very low51.3Low231 Ų23177.1 Ų77.187%0.87242%0.424SS*.  trans-70.589.2161.1-70.9-172.1177-1701.8110.8A1082A1082-R1085 PolarHBondContact O-N 3.11Å
1086V28.6Very low51Low207 Ų20775.5 Ų75.5100%1.25542%0.418SS*.  trans-1430170.4-174.10000108.9T1084T1084-V1086 PolarHBondContact O-N 2.64Å

Retrieved 1,086 of 1,086 residues in 522 ms (Link to these results)

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