A0A087YIX2_POEFO Loading...

WSC domain containing 1

AlphaFold DB , UniProt , Accession A0A087YIX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 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
1M80.7Confident80.6Confident114 Ų11466.5 Ų66.556%0.56238%0.379SS*.  0-34.10-61.2-70.9-75.500111.2F4 F40 I55 Q59 I85 K87M1-F4 HydrophobicContact CB-CE2 4.04Å; M1-F4 HydrophobicContact CB-CZ 4.44Å; M1-F40 HydrophobicContact CE-CE1 3.93Å; M1-I55 HydrophobicContact CE-CD1 3.78Å; M1-Q59 PolarHBondContact O-NE2 3.1Å; M1-I85 WeakPolarHBondContact CA-O 3.36Å; M1-I85 HydrophobicContact CB-CB 4.23Å; M1-I85 HydrophobicContact CB-CG2 4.12Å; M1-I85 WeakPolarHBondContact CB-O 3.29Å; M1-I85 HydrophobicContact CG-CG2 4.3Å; M1-I85 PolarHBondContact N-O 2.96Å; M1-K87 HydrophobicContact CG-CB 4.18Å; M1-K87 HydrophobicContact SD-CB 4.27Å
2G90.1Very high80.8Confident21 Ų2161 Ų6122%0.21635%0.347CS..EExtended strand (participates in β ladder)trans124.5-164.6173.400000111.9F4 I85G2-F4 WeakPolarHBondContact O-CD2 3.27Å; G2-I85 PolarHBondContact N-O 2.99Å; G2-I85 PolarHBondContact O-N 3.19Å
3C93.5Very high81.1Confident3 Ų356.7 Ų56.72%0.0232%0.322CS..EExtended strand (participates in β ladder)trans-94.7140.2176.3-1670000111.2Q59 A60 P61 C65 L83C3-Q59 CarbonylContact O-C 3.34Å; C3-Q59 WeakPolarHBondContact O-CA 3.46Å; C3-A60 HydrophobicContact CB-CB 4.4Å; C3-A60 PolarHBondContact O-N 2.67Å; C3-P61 WeakPolarHBondContact CB-O 3.46Å; C3-P61 PolarHBondContact SG-O 2.82Å; C3-P61 VanDerWaalsContact SG-O 3.37Å; C3-C65 WeakPolarHBondContact CA-SG 3.41Å; C3-C65 HydrophobicContact CB-CB 3.6Å; C3-C65 WeakPolarHBondContact CB-SG 3.35Å; C3-C65 WeakPolarHBondContact SG-CB 3.39Å; C3-C65 CovalentContact SG-SG 2.03Å; C3-C65 PolarHBondContact SG-SG 3.49Å; C3-L83 CarbonylContact C-O 3.57Å; C3-L83 WeakPolarHBondContact CA-O 3.37Å
4F94.8Very high80.7Confident14 Ų1454.8 Ų54.86%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-136.4150.8-177.9-67.3-97000111.6M1 G2 H6 A12 I55 Q59 R82 L83 I85M1-F4 HydrophobicContact CB-CE2 4.04Å; M1-F4 HydrophobicContact CB-CZ 4.44Å; G2-F4 WeakPolarHBondContact O-CD2 3.27Å; F4-H6 PolarHBondContact O-N 3.19Å; F4-A12 HydrophobicContact CB-CB 4.22Å; F4-I55 HydrophobicContact CD1-CG2 3.48Å; F4-I55 VanDerWaalsContact CD1-CG2 3.48Å; F4-I55 HydrophobicContact CE1-CD1 4.39Å; F4-I55 HydrophobicContact CE1-CG2 3.54Å; F4-I55 HydrophobicContact CE2-CD1 4.43Å; F4-I55 HydrophobicContact CG-CG2 4.11Å; F4-I55 HydrophobicContact CZ-CD1 4.04Å; F4-I55 HydrophobicContact CZ-CG2 4.21Å; F4-Q59 HydrophobicContact CD1-CB 4.49Å; F4-Q59 HydrophobicContact CD1-CG 3.83Å; F4-Q59 HydrophobicContact CE1-CB 4.37Å; F4-Q59 HydrophobicContact CE1-CG 3.29Å; F4-Q59 HydrophobicContact CE2-CG 4.32Å; F4-Q59 HydrophobicContact CZ-CG 3.58Å; F4-R82 CarbonylContact O-C 3.56Å; F4-R82 WeakPolarHBondContact O-CA 3.41Å; F4-L83 PolarHBondContact N-O 2.66Å; F4-L83 PolarHBondContact O-N 2.95Å; F4-I85 HydrophobicContact CB-CD1 3.84Å; F4-I85 HydrophobicContact CB-CG1 4.38Å; F4-I85 HydrophobicContact CD1-CD1 4.41Å; F4-I85 HydrophobicContact CD2-CB 3.73Å; F4-I85 HydrophobicContact CD2-CD1 3.47Å; F4-I85 VanDerWaalsContact CD2-CD1 3.47Å; F4-I85 HydrophobicContact CD2-CG1 3.58Å; F4-I85 HydrophobicContact CE2-CB 3.84Å; F4-I85 HydrophobicContact CE2-CD1 4.1Å; F4-I85 HydrophobicContact CE2-CG1 4.2Å; F4-I85 HydrophobicContact CG-CD1 3.65Å; F4-I85 HydrophobicContact CG-CG1 4.21Å
5L90.4Very high80Confident44 Ų4452 Ų5223%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-65.7132174.7-64.4-175.6000110.7A12 S57 P58 A60L5-A12 WeakPolarHBondContact O-CB 3.47Å; L5-S57 WeakPolarHBondContact O-CB 3.5Å; L5-S57 PolarHBondContact O-OG 3.14Å; L5-P58 HydrophobicContact CD1-CG 3.7Å; L5-P58 HydrophobicContact CG-CG 4.25Å; L5-P58 PolarHBondContact N-O 3.38Å; L5-P58 VanDerWaalsContact N-O 3.1Å; L5-A60 HydrophobicContact CD2-CB 4Å; L5-A60 HydrophobicContact CG-CB 4.45Å
6H84.4Confident79.1Confident16 Ų1650.9 Ų50.97%0.07430%0.303CS..  trans-135.9104.8172.1-16881.3000109.3F4 D10 A12 E44 H50 G81 L83F4-H6 PolarHBondContact O-N 3.19Å; H6-D10 WeakPolarHBondContact CA-O 3.48Å; H6-A12 PolarHBondContact ND1-N 2.99Å; H6-E44 IonicContact CD2-OE1 3.7Å; H6-E44 IonicContact CD2-OE2 3.55Å; H6-E44 PolarHBondContact CD2-OE2 3.37Å; H6-E44 IonicContact CG-OE2 2.63Å; H6-E44 IonicContact NE2-OE2 3.23Å; H6-H50 AromaticContact CD2-CE1 3.85Å; H6-H50 AromaticContact CE1-CE1 3.67Å; H6-H50 AromaticContact CE1-ND1 3.54Å; H6-H50 AromaticContact NE2-CE1 3.16Å; H6-H50 PolarHBondContact NE2-CE1 3.14Å; H6-H50 AromaticContact NE2-ND1 3.52Å; H6-G81 PolarHBondContact N-O 2.9Å; H6-G81 CarbonylContact O-C 3.52Å; H6-G81 WeakPolarHBondContact O-CA 3.36Å; H6-G81 VanDerWaalsContact O-O 3.04Å; H6-L83 HydrophobicContact CB-CB 4.32Å; H6-L83 HydrophobicContact CB-CD1 3.65Å; H6-L83 HydrophobicContact CB-CG 3.79Å; H6-L83 WeakPolarHBondContact ND1-CD1 3.19Å
7N78.3Confident78.9Confident60 Ų6053.5 Ų53.532%0.32131%0.313SS..  trans-132.7175.7179.873.850.6000110.7S9 D10N7-S9 PolarHBondContact O-N 2.74Å; N7-S9 WeakPolarHBondContact OD1-CA 3.29Å; N7-S9 WeakPolarHBondContact OD1-CB 3.28Å; N7-S9 PolarHBondContact OD1-N 2.87Å; N7-D10 PolarHBondContact N-O 3.23Å; N7-D10 PolarHBondContact ND2-OD2 3.2Å; N7-D10 CarbonylContact O-C 3.43Å; N7-D10 PolarHBondContact O-N 2.79Å; N7-D10 PolarHBondContact OD1-N 2.72Å
8A64.2Low78.3Confident102 Ų10252 Ų5284%0.84330%0.303SS*.SBendtrans-60.3-26.2-177.200000113.6
9S63.3Low77.9Confident110 Ų11051.1 Ų51.177%0.76929%0.294SS*.SBendtrans-95.9-33.5178.6-50.20000112.6N7N7-S9 PolarHBondContact O-N 2.74Å; N7-S9 WeakPolarHBondContact OD1-CA 3.29Å; N7-S9 WeakPolarHBondContact OD1-CB 3.28Å; N7-S9 PolarHBondContact OD1-N 2.87Å
10D66.7Low77.2Confident84 Ų8450.8 Ų50.845%0.44929%0.291SS..  trans-120.887.6-173.9-55.2-51.9000110.2H6 N7 A12H6-D10 WeakPolarHBondContact CA-O 3.48Å; N7-D10 PolarHBondContact N-O 3.23Å; N7-D10 PolarHBondContact ND2-OD2 3.2Å; N7-D10 CarbonylContact O-C 3.43Å; N7-D10 PolarHBondContact O-N 2.79Å; N7-D10 PolarHBondContact OD1-N 2.72Å; D10-A12 PolarHBondContact O-N 3.38Å
11R79.9Confident76.9Confident164 Ų16451.7 Ų51.762%0.61930%0.295SS*.  trans-81.2114.6173.9-73.4-174.3178.5159.52.3110.4L13R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.11Å
12A83.7Confident76.3Confident0 Ų056.4 Ų56.40%031%0.307CS..SBendtrans-56.9-43174.900000112.7F4 L5 H6 D10 I55 S56 S57 L83 I85F4-A12 HydrophobicContact CB-CB 4.22Å; L5-A12 WeakPolarHBondContact O-CB 3.47Å; H6-A12 PolarHBondContact ND1-N 2.99Å; D10-A12 PolarHBondContact O-N 3.38Å; A12-I55 WeakPolarHBondContact O-CA 3.05Å; A12-S56 PolarHBondContact O-N 2.81Å; A12-S57 VanDerWaalsContact CA-OG 3.24Å; A12-S57 WeakPolarHBondContact CA-OG 3.49Å; A12-S57 WeakPolarHBondContact CB-OG 3.46Å; A12-L83 HydrophobicContact CB-CB 4.47Å; A12-L83 HydrophobicContact CB-CD1 3.6Å; A12-I85 HydrophobicContact CB-CD1 3.97Å
13L84.9Confident75.7Confident5 Ų562.6 Ų62.63%0.02633%0.328CS..  trans-123.5126.3179-61179.5000109R11 F40 H50 R54 I55 L83 I85R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.11Å; L13-F40 HydrophobicContact CD1-CB 4.28Å; L13-F40 HydrophobicContact CD2-CB 3.74Å; L13-F40 HydrophobicContact CD2-CG 4.41Å; L13-H50 HydrophobicContact CB-CB 4.3Å; L13-H50 HydrophobicContact CD1-CB 4.22Å; L13-H50 VanDerWaalsContact CD1-O 3.25Å; L13-H50 WeakPolarHBondContact CD1-O 3.22Å; L13-R54 WeakPolarHBondContact CD2-O 3.41Å; L13-I55 HydrophobicContact CD2-CG1 4.13Å; L13-L83 HydrophobicContact CG-CD1 4.45Å; L13-I85 HydrophobicContact CD1-CD1 4.3Å; L13-I85 HydrophobicContact CD1-CG1 4.4Å; L13-I85 HydrophobicContact CD2-CD1 4.1Å; L13-I85 HydrophobicContact CG-CD1 4.03Å
14G74.4Confident75.3Confident30 Ų3062.5 Ų62.531%0.30933%0.327SS..  trans-97-1.7-173.800000115.9
15G70.8Confident75Confident13 Ų1362.7 Ų62.713%0.13433%0.329CS..SBendtrans-78.6-130.1-173.200000113.7Y38 C51G15-Y38 VanDerWaalsContact CA-CE1 3.49Å; G15-C51 CarbonylContact C-O 3.55Å; G15-C51 WeakPolarHBondContact CA-O 3.32Å; G15-C51 PolarHBondContact N-O 2.98Å
16T66Low74.8Confident35 Ų3561.7 Ų61.722%0.21533%0.326CS..  trans-87.1155.6177.6-163.40000111.2L18 Y38 C51T16-L18 HydrophobicContact CG2-CD2 4.42Å; T16-Y38 HydrophobicContact CG2-CD2 4.12Å; T16-Y38 HydrophobicContact CG2-CE2 3.57Å; T16-Y38 PolarHBondContact N-OH 2.86Å; T16-C51 HydrophobicContact CG2-CB 3.72Å; T16-C51 VanDerWaalsContact CG2-SG 3.53Å; T16-C51 PolarHBondContact N-O 3.02Å; T16-C51 PolarHBondContact O-N 3.04Å
17M75.6Confident74.7Confident95 Ų9563.6 Ų63.647%0.46834%0.341SS..EExtended strand (participates in β ladder)trans-133.5133.6171.7178.5-102.9-98.100109.4Y19 C49M17-Y19 HydrophobicContact SD-CD1 4.21Å; M17-C49 CarbonylContact C-O 3.53Å; M17-C49 WeakPolarHBondContact CA-O 2.98Å
18L67.9Low74.8Confident26 Ų2663.6 Ų63.614%0.13634%0.341CS..EExtended strand (participates in β ladder)trans-137160.9176.661.5117.7000108.7T16 M24 T32 C49T16-L18 HydrophobicContact CG2-CD2 4.42Å; L18-M24 HydrophobicContact CD1-CE 3.99Å; L18-T32 HydrophobicContact CD1-CG2 3.94Å; L18-T32 HydrophobicContact CD2-CG2 3.3Å; L18-T32 HydrophobicContact CG-CG2 4.25Å; L18-C49 HydrophobicContact CD1-CB 3.9Å; L18-C49 HydrophobicContact CD2-CB 4.48Å; L18-C49 HydrophobicContact CG-CB 3.83Å; L18-C49 PolarHBondContact N-O 3.21Å; L18-C49 CarbonylContact O-C 3.6Å; L18-C49 WeakPolarHBondContact O-CA 3.4Å; L18-C49 PolarHBondContact O-N 3.47Å
19Y70.7Confident75.8Confident34 Ų3458.8 Ų58.813%0.13330%0.301CS..EExtended strand (participates in β ladder)trans-148.8149.3175.262.9-82.7000110.2M17 L21 A47 E48 N255 R256M17-Y19 HydrophobicContact SD-CD1 4.21Å; Y19-L21 HydrophobicContact CD2-CD2 4.27Å; Y19-L21 HydrophobicContact CD2-CG 4.17Å; Y19-A47 CarbonylContact C-O 3.59Å; Y19-A47 WeakPolarHBondContact CA-O 3.34Å; Y19-A47 WeakPolarHBondContact CB-O 3.49Å; Y19-E48 HydrophobicContact CG-CG 4.44Å; Y19-N255 HydrophobicContact CD2-CB 3.75Å; Y19-N255 HydrophobicContact CE1-CB 4.49Å; Y19-N255 WeakPolarHBondContact CE1-O 3.2Å; Y19-N255 VanDerWaalsContact CE2-C 3.45Å; Y19-N255 HydrophobicContact CE2-CB 3.22Å; Y19-R256 HydrophobicContact CE2-CG 4.39Å; Y19-R256 WeakPolarHBondContact OH-CA 3.47Å; Y19-R256 VanDerWaalsContact OH-CB 3.23Å; Y19-R256 WeakPolarHBondContact OH-CB 3.2Å; Y19-R256 WeakPolarHBondContact OH-CG 3.46Å; Y19-R256 PolarHBondContact OH-N 3.1Å
20D63.3Low76.8Confident45 Ų4555.7 Ų55.724%0.24127%0.274CS..  trans-135.1105.8177.9-169.3-37.1000110.4R22 K23 M24 L28 A47D20-R22 PolarHBondContact O-N 2.72Å; D20-R22 VanDerWaalsContact O-N 3.1Å; D20-R22 PolarHBondContact OD1-N 2.75Å; D20-K23 PolarHBondContact OD1-N 2.82Å; D20-M24 HydrophobicContact CB-CB 4.07Å; D20-M24 HydrophobicContact CB-CE 3.92Å; D20-M24 WeakPolarHBondContact O-CB 3.43Å; D20-M24 PolarHBondContact O-N 3.13Å; D20-L28 HydrophobicContact CB-CD2 4.48Å; D20-A47 PolarHBondContact N-O 3.29Å
21L70.4Confident77.2Confident71 Ų7156.3 Ų56.337%0.37228%0.278SS..THydrogen-bonded Turntrans-72.6-5.2-173.1-56.8161.7000114.3Y19 A47 R70 N255Y19-L21 HydrophobicContact CD2-CD2 4.27Å; Y19-L21 HydrophobicContact CD2-CG 4.17Å; L21-A47 HydrophobicContact CD2-CB 3.93Å; L21-R70 WeakPolarHBondContact O-CB 3.49Å; L21-R70 WeakPolarHBondContact O-CG 3.34Å; L21-N255 HydrophobicContact CD1-CB 4.03Å; L21-N255 WeakPolarHBondContact CD1-ND2 3.13Å
22R68.9Low76.7Confident213 Ų21350 Ų5080%0.80426%0.257SS*.THydrogen-bonded Turntrans-127.4-34.1-176.5-66.2-173.1-177.7-1741.1113.3D20 R70 G71D20-R22 PolarHBondContact O-N 2.72Å; D20-R22 VanDerWaalsContact O-N 3.1Å; D20-R22 PolarHBondContact OD1-N 2.75Å; R22-R70 CarbonylContact O-C 3.56Å; R22-G71 VanDerWaalsContact O-CA 3.26Å; R22-G71 WeakPolarHBondContact O-CA 3.31Å; R22-G71 PolarHBondContact O-N 3.24Å
23K78.6Confident76.3Confident151 Ų15150 Ų5066%0.65726%0.257SS*.THydrogen-bonded Turntrans-121.36.8-173-59.7-176.2177.2-175.40112.8D20 T25 L28D20-K23 PolarHBondContact OD1-N 2.82Å; K23-T25 WeakPolarHBondContact O-CG2 3.28Å; K23-T25 PolarHBondContact O-N 2.98Å; K23-T25 VanDerWaalsContact O-N 3.1Å; K23-L28 WeakPolarHBondContact O-CD2 3.45Å
24M84.8Confident75.9Confident0 Ų051 Ų510%027%0.265CS..  trans-61.6121.1177.1-173.756.968.400110.2L18 D20 C29 L43 A47 C49 C69 G71L18-M24 HydrophobicContact CD1-CE 3.99Å; D20-M24 HydrophobicContact CB-CB 4.07Å; D20-M24 HydrophobicContact CB-CE 3.92Å; D20-M24 WeakPolarHBondContact O-CB 3.43Å; D20-M24 PolarHBondContact O-N 3.13Å; M24-C29 HydrophobicContact SD-CB 3.9Å; M24-L43 HydrophobicContact CG-CD2 3.69Å; M24-L43 HydrophobicContact SD-CD2 3.75Å; M24-A47 WeakPolarHBondContact CE-O 3.47Å; M24-A47 WeakPolarHBondContact CG-O 3.44Å; M24-C49 HydrophobicContact CE-CB 3.48Å; M24-C49 VanDerWaalsContact CE-CB 3.48Å; M24-C49 HydrophobicContact SD-CB 3.84Å; M24-C69 WeakPolarHBondContact O-CB 3.28Å; M24-G71 VanDerWaalsContact O-CA 3.29Å; M24-G71 WeakPolarHBondContact O-CA 3.46Å; M24-G71 PolarHBondContact O-N 3.17Å
25T87.1Confident75.3Confident19 Ų1954.5 Ų54.512%0.11727%0.273CS..  trans-128162172.566.60000108.3K23 S27 L28 C29 E72K23-T25 WeakPolarHBondContact O-CG2 3.28Å; K23-T25 PolarHBondContact O-N 2.98Å; K23-T25 VanDerWaalsContact O-N 3.1Å; T25-S27 VanDerWaalsContact C-N 3.26Å; T25-S27 PolarHBondContact O-N 3.44Å; T25-S27 PolarHBondContact OG1-OG 2.96Å; T25-L28 PolarHBondContact O-N 3.49Å; T25-L28 VanDerWaalsContact OG1-CB 3.25Å; T25-L28 WeakPolarHBondContact OG1-CB 3.43Å; T25-L28 PolarHBondContact OG1-N 3.04Å; T25-C29 PolarHBondContact O-N 3.08Å; T25-E72 HydrophobicContact CG2-CB 3.69Å
26S86.5Confident74.8Confident23 Ų2355.4 Ų55.416%0.16128%0.277CS..Hα-helixtrans-60.9-38.4173.862.60000112Q30 L43S26-Q30 VanDerWaalsContact C-NE2 3.35Å; S26-Q30 WeakPolarHBondContact O-CB 3.29Å; S26-Q30 VanDerWaalsContact O-CG 3.23Å; S26-Q30 WeakPolarHBondContact O-CG 3.47Å; S26-Q30 PolarHBondContact O-N 3.39Å; S26-Q30 PolarHBondContact O-NE2 3.22Å; S26-L43 VanDerWaalsContact CA-CD1 3.42Å
27S82.7Confident74.7Confident56 Ų5653.8 Ų53.839%0.39227%0.268SS..Hα-helixtrans-63.2-49.817550.20000112T25 C29 Q30 D31T25-S27 VanDerWaalsContact C-N 3.26Å; T25-S27 PolarHBondContact O-N 3.44Å; T25-S27 PolarHBondContact OG1-OG 2.96Å; S27-C29 VanDerWaalsContact C-N 3.26Å; S27-C29 PolarHBondContact O-N 3.09Å; S27-Q30 PolarHBondContact O-N 2.83Å; S27-Q30 VanDerWaalsContact O-N 3.14Å; S27-D31 WeakPolarHBondContact O-CB 3.33Å; S27-D31 PolarHBondContact O-N 2.02Å
28L79.4Confident74.5Confident60 Ų6049.6 Ų49.631%0.31425%0.247SC..Hα-helixtrans-58.4-41.8179.117962.3000111.4D20 K23 T25 T32D20-L28 HydrophobicContact CB-CD2 4.48Å; K23-L28 WeakPolarHBondContact O-CD2 3.45Å; T25-L28 PolarHBondContact O-N 3.49Å; T25-L28 VanDerWaalsContact OG1-CB 3.25Å; T25-L28 WeakPolarHBondContact OG1-CB 3.43Å; T25-L28 PolarHBondContact OG1-N 3.04Å; L28-T32 WeakPolarHBondContact O-CB 3.27Å; L28-T32 PolarHBondContact O-N 2.84Å; L28-T32 PolarHBondContact O-OG1 3.1Å
29C85.8Confident75.1Confident0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-66.1-46.9177.2-178.10000112M24 T25 S27 D31 T32 C33 L43 C49M24-C29 HydrophobicContact SD-CB 3.9Å; T25-C29 PolarHBondContact O-N 3.08Å; S27-C29 VanDerWaalsContact C-N 3.26Å; S27-C29 PolarHBondContact O-N 3.09Å; C29-D31 PolarHBondContact O-N 3.38Å; C29-T32 PolarHBondContact O-N 2.92Å; C29-C33 WeakPolarHBondContact O-CB 3.37Å; C29-C33 PolarHBondContact O-N 3.33Å; C29-C33 PolarHBondContact O-SG 2.7Å; C29-L43 HydrophobicContact CB-CD2 3.45Å; C29-L43 VanDerWaalsContact CB-CD2 3.45Å; C29-L43 HydrophobicContact CB-CG 4.12Å; C29-C49 WeakPolarHBondContact CA-SG 3.48Å; C29-C49 HydrophobicContact CB-CB 3.59Å; C29-C49 WeakPolarHBondContact CB-SG 3.03Å; C29-C49 WeakPolarHBondContact SG-CA 3.27Å; C29-C49 WeakPolarHBondContact SG-CB 3.31Å; C29-C49 CovalentContact SG-SG 2.03Å; C29-C49 PolarHBondContact SG-SG 3.07Å
30Q84.4Confident75.9Confident46 Ų4650.9 Ų50.922%0.21525%0.253CS..Hα-helixtrans-60.7-45.4177.5-74.8171.295.500112S26 S27 T32 C33 S34 A41 Y86 V88S26-Q30 VanDerWaalsContact C-NE2 3.35Å; S26-Q30 WeakPolarHBondContact O-CB 3.29Å; S26-Q30 VanDerWaalsContact O-CG 3.23Å; S26-Q30 WeakPolarHBondContact O-CG 3.47Å; S26-Q30 PolarHBondContact O-N 3.39Å; S26-Q30 PolarHBondContact O-NE2 3.22Å; S27-Q30 PolarHBondContact O-N 2.83Å; S27-Q30 VanDerWaalsContact O-N 3.14Å; Q30-T32 PolarHBondContact O-N 3.16Å; Q30-C33 PolarHBondContact O-N 2.87Å; Q30-S34 VanDerWaalsContact O-CB 3.28Å; Q30-S34 WeakPolarHBondContact O-CB 3.49Å; Q30-S34 PolarHBondContact O-N 2.86Å; Q30-A41 HydrophobicContact CB-CB 4.36Å; Q30-A41 HydrophobicContact CG-CB 3.8Å; Q30-Y86 HydrophobicContact CG-CG 4.3Å; Q30-V88 HydrophobicContact CB-CG2 4.49Å; Q30-V88 WeakPolarHBondContact O-CG1 3.22Å
31D74.9Confident77.2Confident97 Ų9748.8 Ų48.852%0.51924%0.242SC..Hα-helixtrans-61.5-44.8176.8-68.6-20.2000110.8S27 C29 C33 S34 E35S27-D31 WeakPolarHBondContact O-CB 3.33Å; S27-D31 PolarHBondContact O-N 2.02Å; C29-D31 PolarHBondContact O-N 3.38Å; D31-C33 PolarHBondContact O-N 2.95Å; D31-S34 VanDerWaalsContact O-CB 3.31Å; D31-S34 WeakPolarHBondContact O-CB 3.49Å; D31-S34 PolarHBondContact O-N 2.88Å; D31-E35 WeakPolarHBondContact O-CB 3.48Å; D31-E35 WeakPolarHBondContact O-CG 3.21Å; D31-E35 PolarHBondContact O-N 3.2Å
32T70.4Confident78.3Confident31 Ų3145.4 Ų45.419%0.1922%0.224CC..Hα-helixtrans-66.1-41.5-179.6-53.30000111.7L18 L28 C29 Q30 S34 S36L18-T32 HydrophobicContact CD1-CG2 3.94Å; L18-T32 HydrophobicContact CD2-CG2 3.3Å; L18-T32 HydrophobicContact CG-CG2 4.25Å; L28-T32 WeakPolarHBondContact O-CB 3.27Å; L28-T32 PolarHBondContact O-N 2.84Å; L28-T32 PolarHBondContact O-OG1 3.1Å; C29-T32 PolarHBondContact O-N 2.92Å; Q30-T32 PolarHBondContact O-N 3.16Å; T32-S34 VanDerWaalsContact C-N 3.33Å; T32-S36 VanDerWaalsContact O-CB 3.25Å; T32-S36 WeakPolarHBondContact O-CB 3.1Å; T32-S36 PolarHBondContact O-N 3.38Å; T32-S36 PolarHBondContact O-OG 3.04Å
33C75.3Confident79.5Confident0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-67.2-36.3174.7-64.80000111.5C29 Q30 D31 S36 G37 Y38 A41 C49 C51 V88C29-C33 WeakPolarHBondContact O-CB 3.37Å; C29-C33 PolarHBondContact O-N 3.33Å; C29-C33 PolarHBondContact O-SG 2.7Å; Q30-C33 PolarHBondContact O-N 2.87Å; D31-C33 PolarHBondContact O-N 2.95Å; C33-S36 CarbonylContact O-C 3.41Å; C33-S36 PolarHBondContact O-N 3.34Å; C33-G37 PolarHBondContact O-N 3.24Å; C33-Y38 PolarHBondContact O-N 3.28Å; C33-A41 HydrophobicContact CB-CB 3.78Å; C33-A41 VanDerWaalsContact SG-CB 3.55Å; C33-C49 VanDerWaalsContact SG-SG 3.62Å; C33-C51 WeakPolarHBondContact CA-SG 3.21Å; C33-C51 HydrophobicContact CB-CB 3.68Å; C33-C51 WeakPolarHBondContact CB-SG 3.49Å; C33-C51 WeakPolarHBondContact SG-CA 3.33Å; C33-C51 WeakPolarHBondContact SG-CB 3.5Å; C33-C51 CovalentContact SG-SG 2.03Å; C33-C51 PolarHBondContact SG-SG 3.13Å; C33-V88 HydrophobicContact CB-CG2 4.04Å
34S76Confident80.2Confident26 Ų2629 Ų2918%0.18216%0.159CC..Hα-helixtrans-61.3-51173-160.10000112.1Q30 D31 T32 S36 G37 V88Q30-S34 VanDerWaalsContact O-CB 3.28Å; Q30-S34 WeakPolarHBondContact O-CB 3.49Å; Q30-S34 PolarHBondContact O-N 2.86Å; D31-S34 VanDerWaalsContact O-CB 3.31Å; D31-S34 WeakPolarHBondContact O-CB 3.49Å; D31-S34 PolarHBondContact O-N 2.88Å; T32-S34 VanDerWaalsContact C-N 3.33Å; S34-S36 PolarHBondContact O-N 3.28Å; S34-G37 WeakPolarHBondContact O-CA 3.03Å; S34-G37 PolarHBondContact O-N 3.27Å; S34-V88 WeakPolarHBondContact OG-CG1 3.4Å
35E61Low80.4Confident104 Ų10435 Ų3549%0.48618%0.182SC..Hα-helixtrans-61.9-30177-73.9-166.9173.800112D31 G37 R99D31-E35 WeakPolarHBondContact O-CB 3.48Å; D31-E35 WeakPolarHBondContact O-CG 3.21Å; D31-E35 PolarHBondContact O-N 3.2Å; E35-G37 VanDerWaalsContact C-N 3.27Å; E35-R99 IonicContact OE1-NH1 3.22Å; E35-R99 PolarHBondContact OE1-NH1 2.97Å; E35-R99 IonicContact OE2-NH1 2.79Å; E35-R99 PolarHBondContact OE2-NH1 3.34Å
36S60.9Low80.4Confident31 Ų3134.1 Ų34.122%0.21718%0.177CC..THydrogen-bonded Turntrans-84.9-0.4175-56.20000113.1T32 C33 S34T32-S36 VanDerWaalsContact O-CB 3.25Å; T32-S36 WeakPolarHBondContact O-CB 3.1Å; T32-S36 PolarHBondContact O-N 3.38Å; T32-S36 PolarHBondContact O-OG 3.04Å; C33-S36 CarbonylContact O-C 3.41Å; C33-S36 PolarHBondContact O-N 3.34Å; S34-S36 PolarHBondContact O-N 3.28Å
37G63.6Low80.2Confident2 Ų233 Ų332%0.02117%0.17CC..THydrogen-bonded Turntrans68.230.8177.200000115.6C33 S34 E35C33-G37 PolarHBondContact O-N 3.24Å; S34-G37 WeakPolarHBondContact O-CA 3.03Å; S34-G37 PolarHBondContact O-N 3.27Å; E35-G37 VanDerWaalsContact C-N 3.27Å
38Y71.7Confident80.4Confident6 Ų632.8 Ų32.82%0.02416%0.162CC..  trans-93.5142.1172.8-67.4-78000111.6G15 T16 C33 F40 C51 G52 N53G15-Y38 VanDerWaalsContact CA-CE1 3.49Å; T16-Y38 HydrophobicContact CG2-CD2 4.12Å; T16-Y38 HydrophobicContact CG2-CE2 3.57Å; T16-Y38 PolarHBondContact N-OH 2.86Å; C33-Y38 PolarHBondContact O-N 3.28Å; Y38-F40 VanDerWaalsContact C-N 3.34Å; Y38-C51 HydrophobicContact CD1-CB 4.21Å; Y38-C51 HydrophobicContact CD2-CB 3.26Å; Y38-C51 HydrophobicContact CE2-CB 3.9Å; Y38-C51 HydrophobicContact CG-CB 3.45Å; Y38-C51 VanDerWaalsContact CG-CB 3.45Å; Y38-G52 VanDerWaalsContact CD1-CA 3.49Å; Y38-N53 VanDerWaalsContact CA-OD1 3.29Å; Y38-N53 WeakPolarHBondContact CA-OD1 3.26Å
39Q80.9Confident80.8Confident62 Ų6229.9 Ų29.929%0.2915%0.147SC..SBendtrans-75.5-25178.5-67.5176.769.100113.4G52 N53 V88Q39-G52 PolarHBondContact N-O 2.81Å; Q39-N53 PolarHBondContact N-OD1 2.9Å; Q39-V88 PolarHBondContact O-N 2.97Å
40F87.4Confident80.9Confident26 Ų2630.3 Ų30.311%0.11415%0.149CC..EExtended strand (participates in β ladder)trans-125.5139.4-177.3-55.4-69.1000110.7M1 L13 Y38 C51 G52 N53 I55 I85 Y86 K87M1-F40 HydrophobicContact CE-CE1 3.93Å; L13-F40 HydrophobicContact CD1-CB 4.28Å; L13-F40 HydrophobicContact CD2-CB 3.74Å; L13-F40 HydrophobicContact CD2-CG 4.41Å; Y38-F40 VanDerWaalsContact C-N 3.34Å; F40-C51 VanDerWaalsContact O-CA 3.32Å; F40-C51 WeakPolarHBondContact O-CA 3.42Å; F40-G52 WeakPolarHBondContact CA-O 3.3Å; F40-G52 WeakPolarHBondContact CB-O 3.49Å; F40-G52 WeakPolarHBondContact CD2-O 3.33Å; F40-G52 PolarHBondContact N-O 2.94Å; F40-G52 PolarHBondContact O-N 3.24Å; F40-N53 WeakPolarHBondContact CE2-O 3.4Å; F40-I55 HydrophobicContact CD1-CD1 4.06Å; F40-I55 HydrophobicContact CD1-CG1 4.32Å; F40-I55 HydrophobicContact CD2-CG1 4.04Å; F40-I55 HydrophobicContact CE1-CD1 4.07Å; F40-I55 HydrophobicContact CE1-CG1 4.49Å; F40-I55 HydrophobicContact CE2-CG1 4.21Å; F40-I55 HydrophobicContact CG-CD1 4.34Å; F40-I55 HydrophobicContact CG-CG1 4.1Å; F40-I55 HydrophobicContact CZ-CD1 4.35Å; F40-I55 HydrophobicContact CZ-CG1 4.43Å; F40-I85 HydrophobicContact CB-CG2 4.05Å; F40-I85 HydrophobicContact CD1-CG2 4.22Å; F40-I85 HydrophobicContact CG-CG2 4.42Å; F40-Y86 WeakPolarHBondContact CA-O 3.42Å; F40-K87 HydrophobicContact CE1-CB 4.47Å; F40-K87 HydrophobicContact CE1-CG 4.29Å
41A90.9Very high80.8Confident0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-116141.516800000107.7Q30 C33 H50 I85 Y86 V88Q30-A41 HydrophobicContact CB-CB 4.36Å; Q30-A41 HydrophobicContact CG-CB 3.8Å; C33-A41 HydrophobicContact CB-CB 3.78Å; C33-A41 VanDerWaalsContact SG-CB 3.55Å; A41-H50 CarbonylContact C-O 3.43Å; A41-H50 WeakPolarHBondContact CA-O 3.27Å; A41-I85 CarbonylContact O-C 3.56Å; A41-I85 WeakPolarHBondContact O-CA 3.14Å; A41-Y86 PolarHBondContact N-O 2.79Å; A41-Y86 PolarHBondContact O-N 3.33Å; A41-V88 HydrophobicContact CB-CG2 3.72Å
42G93.8Very high81.2Confident0 Ų023.5 Ų23.50%011%0.114CC..EExtended strand (participates in β ladder)trans-137.3127.3-176.700000109.7C49 H50 L83 S84G42-C49 CarbonylContact O-C 3.58Å; G42-C49 WeakPolarHBondContact O-CA 3.32Å; G42-H50 PolarHBondContact N-O 3.27Å; G42-H50 PolarHBondContact O-N 2.91Å; G42-L83 VanDerWaalsContact O-CD2 3.31Å; G42-L83 WeakPolarHBondContact O-CD2 3.45Å; G42-S84 CarbonylContact C-O 3.56Å; G42-S84 VanDerWaalsContact CA-O 3.25Å; G42-S84 WeakPolarHBondContact CA-O 3.05Å
43L93.5Very high81.6Confident0 Ų022.3 Ų22.30%011%0.107CC..EExtended strand (participates in β ladder)trans-98.7135.8177.5-68.3160.8000110.7M24 S26 C29 E48 C49 C77 G78 L83 S84 Y86M24-L43 HydrophobicContact CG-CD2 3.69Å; M24-L43 HydrophobicContact SD-CD2 3.75Å; S26-L43 VanDerWaalsContact CA-CD1 3.42Å; C29-L43 HydrophobicContact CB-CD2 3.45Å; C29-L43 VanDerWaalsContact CB-CD2 3.45Å; C29-L43 HydrophobicContact CB-CG 4.12Å; L43-E48 CarbonylContact C-O 3.41Å; L43-E48 WeakPolarHBondContact CA-O 3.47Å; L43-E48 WeakPolarHBondContact CD2-O 3.33Å; L43-C49 HydrophobicContact CD2-CB 4.39Å; L43-C77 HydrophobicContact CB-CB 4.3Å; L43-C77 HydrophobicContact CD1-CB 4.43Å; L43-G78 WeakPolarHBondContact O-CA 3.35Å; L43-G78 PolarHBondContact O-N 2.77Å; L43-L83 CarbonylContact O-C 3.49Å; L43-L83 WeakPolarHBondContact O-CA 3.45Å; L43-L83 WeakPolarHBondContact O-CD2 3.49Å; L43-S84 PolarHBondContact N-O 2.8Å; L43-S84 PolarHBondContact O-N 2.92Å; L43-Y86 HydrophobicContact CB-CE2 4.35Å; L43-Y86 HydrophobicContact CD1-CD2 4.25Å; L43-Y86 HydrophobicContact CD1-CE2 3.41Å; L43-Y86 VanDerWaalsContact CD1-CE2 3.41Å; L43-Y86 HydrophobicContact CG-CE2 4Å
44E92.5Very high81.9Confident21 Ų2129.4 Ų29.410%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-131.9149.1174.4-174.1177.1-158.500110.5H6 G46 A47 E48 H50 C77 G79 G81 R82 L83H6-E44 IonicContact CD2-OE1 3.7Å; H6-E44 IonicContact CD2-OE2 3.55Å; H6-E44 PolarHBondContact CD2-OE2 3.37Å; H6-E44 IonicContact CG-OE2 2.63Å; H6-E44 IonicContact NE2-OE2 3.23Å; E44-G46 PolarHBondContact O-N 3.2Å; E44-A47 PolarHBondContact O-N 3.45Å; E44-A47 VanDerWaalsContact O-N 3.13Å; E44-E48 HydrophobicContact CB-CB 4.15Å; E44-E48 PolarHBondContact N-O 3.01Å; E44-E48 WeakPolarHBondContact O-CA 3.36Å; E44-E48 WeakPolarHBondContact O-CB 2.95Å; E44-E48 PolarHBondContact O-N 3.29Å; E44-H50 IonicContact OE2-CE1 3.32Å; E44-H50 IonicContact OE2-NE2 3.91Å; E44-H50 PolarHBondContact OE2-NE2 2.72Å; E44-H50 VanDerWaalsContact OE2-NE2 3.08Å; E44-C77 CarbonylContact C-O 3.52Å; E44-G79 VanDerWaalsContact CG-O 3.26Å; E44-G79 WeakPolarHBondContact CG-O 3.37Å; E44-G81 WeakPolarHBondContact OE1-CA 3.42Å; E44-G81 PolarHBondContact OE1-N 2.04Å; E44-R82 PolarHBondContact OE1-N 2.81Å; E44-L83 HydrophobicContact CB-CD2 3.9Å; E44-L83 HydrophobicContact CB-CG 4.31Å
45Y89.1Confident82.6Confident124 Ų12430.4 Ų30.449%0.48614%0.136SC..THydrogen-bonded Turntrans56.323.7169.8-152.4-109.7000116.3A47 L67 C77 G79 V80Y45-A47 PolarHBondContact O-N 3.05Å; Y45-A47 VanDerWaalsContact O-N 3.17Å; Y45-L67 HydrophobicContact CD2-CD1 4.05Å; Y45-C77 PolarHBondContact N-O 2.86Å; Y45-G79 PolarHBondContact N-O 2.67Å; Y45-G79 VanDerWaalsContact N-O 3.14Å; Y45-V80 HydrophobicContact CD2-CG2 4.01Å; Y45-V80 HydrophobicContact CE2-CG2 3.88Å
46G87.2Confident83.8Confident1 Ų130 Ų301%0.0115%0.145CC..THydrogen-bonded Turntrans80.6-16.4-178.600000114.8E44 V68 C69 R70 C77E44-G46 PolarHBondContact O-N 3.2Å; G46-V68 WeakPolarHBondContact CA-O 3.21Å; G46-C69 CarbonylContact O-C 3.52Å; G46-C69 WeakPolarHBondContact O-CA 3.25Å; G46-R70 WeakPolarHBondContact O-CG 3.35Å; G46-R70 PolarHBondContact O-N 3.37Å; G46-C77 PolarHBondContact N-O 3.1Å
47A82.6Confident85.1Confident1 Ų129.1 Ų29.11%0.00814%0.139CC..THydrogen-bonded Turntrans-144.3-18.5-162.300000114.4Y19 D20 L21 M24 E44 Y45 R70Y19-A47 CarbonylContact C-O 3.59Å; Y19-A47 WeakPolarHBondContact CA-O 3.34Å; Y19-A47 WeakPolarHBondContact CB-O 3.49Å; D20-A47 PolarHBondContact N-O 3.29Å; L21-A47 HydrophobicContact CD2-CB 3.93Å; M24-A47 WeakPolarHBondContact CE-O 3.47Å; M24-A47 WeakPolarHBondContact CG-O 3.44Å; E44-A47 PolarHBondContact O-N 3.45Å; E44-A47 VanDerWaalsContact O-N 3.13Å; Y45-A47 PolarHBondContact O-N 3.05Å; Y45-A47 VanDerWaalsContact O-N 3.17Å; A47-R70 HydrophobicContact CB-CG 3.9Å
48E86.3Confident86.4Confident50 Ų5032.9 Ų32.923%0.23416%0.163CC..EExtended strand (participates in β ladder)trans-93.8143.6-177.6-50.8-170.1170.400110.8Y19 L43 E44 H50Y19-E48 HydrophobicContact CG-CG 4.44Å; L43-E48 CarbonylContact C-O 3.41Å; L43-E48 WeakPolarHBondContact CA-O 3.47Å; L43-E48 WeakPolarHBondContact CD2-O 3.33Å; E44-E48 HydrophobicContact CB-CB 4.15Å; E44-E48 PolarHBondContact N-O 3.01Å; E44-E48 WeakPolarHBondContact O-CA 3.36Å; E44-E48 WeakPolarHBondContact O-CB 2.95Å; E44-E48 PolarHBondContact O-N 3.29Å; E48-H50 IonicContact OE2-NE2 2.78Å; E48-H50 PolarHBondContact OE2-NE2 3.32Å
49C87.6Confident87.4Confident0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-130.2116.1179.6173.50000108.5M17 L18 M24 C29 C33 G42 L43M17-C49 CarbonylContact C-O 3.53Å; M17-C49 WeakPolarHBondContact CA-O 2.98Å; L18-C49 HydrophobicContact CD1-CB 3.9Å; L18-C49 HydrophobicContact CD2-CB 4.48Å; L18-C49 HydrophobicContact CG-CB 3.83Å; L18-C49 PolarHBondContact N-O 3.21Å; L18-C49 CarbonylContact O-C 3.6Å; L18-C49 WeakPolarHBondContact O-CA 3.4Å; L18-C49 PolarHBondContact O-N 3.47Å; M24-C49 HydrophobicContact CE-CB 3.48Å; M24-C49 VanDerWaalsContact CE-CB 3.48Å; M24-C49 HydrophobicContact SD-CB 3.84Å; C29-C49 WeakPolarHBondContact CA-SG 3.48Å; C29-C49 HydrophobicContact CB-CB 3.59Å; C29-C49 WeakPolarHBondContact CB-SG 3.03Å; C29-C49 WeakPolarHBondContact SG-CA 3.27Å; C29-C49 WeakPolarHBondContact SG-CB 3.31Å; C29-C49 CovalentContact SG-SG 2.03Å; C29-C49 PolarHBondContact SG-SG 3.07Å; C33-C49 VanDerWaalsContact SG-SG 3.62Å; G42-C49 CarbonylContact O-C 3.58Å; G42-C49 WeakPolarHBondContact O-CA 3.32Å; L43-C49 HydrophobicContact CD2-CB 4.39Å
50H88.6Confident87.9Confident9 Ų936.8 Ų36.84%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-110134.4-179.9-63-111.1000107.7H6 L13 A41 G42 E44 E48 L83H6-H50 AromaticContact CD2-CE1 3.85Å; H6-H50 AromaticContact CE1-CE1 3.67Å; H6-H50 AromaticContact CE1-ND1 3.54Å; H6-H50 AromaticContact NE2-CE1 3.16Å; H6-H50 PolarHBondContact NE2-CE1 3.14Å; H6-H50 AromaticContact NE2-ND1 3.52Å; L13-H50 HydrophobicContact CB-CB 4.3Å; L13-H50 HydrophobicContact CD1-CB 4.22Å; L13-H50 VanDerWaalsContact CD1-O 3.25Å; L13-H50 WeakPolarHBondContact CD1-O 3.22Å; A41-H50 CarbonylContact C-O 3.43Å; A41-H50 WeakPolarHBondContact CA-O 3.27Å; G42-H50 PolarHBondContact N-O 3.27Å; G42-H50 PolarHBondContact O-N 2.91Å; E44-H50 IonicContact OE2-CE1 3.32Å; E44-H50 IonicContact OE2-NE2 3.91Å; E44-H50 PolarHBondContact OE2-NE2 2.72Å; E44-H50 VanDerWaalsContact OE2-NE2 3.08Å; E48-H50 IonicContact OE2-NE2 2.78Å; E48-H50 PolarHBondContact OE2-NE2 3.32Å; H50-L83 HydrophobicContact CB-CD1 4.17Å; H50-L83 HydrophobicContact CB-CD2 3.87Å
51C83.4Confident88.2Confident0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-114147.7177.7-49.50000109.4G15 T16 C33 Y38 F40G15-C51 CarbonylContact C-O 3.55Å; G15-C51 WeakPolarHBondContact CA-O 3.32Å; G15-C51 PolarHBondContact N-O 2.98Å; T16-C51 HydrophobicContact CG2-CB 3.72Å; T16-C51 VanDerWaalsContact CG2-SG 3.53Å; T16-C51 PolarHBondContact N-O 3.02Å; T16-C51 PolarHBondContact O-N 3.04Å; C33-C51 WeakPolarHBondContact CA-SG 3.21Å; C33-C51 HydrophobicContact CB-CB 3.68Å; C33-C51 WeakPolarHBondContact CB-SG 3.49Å; C33-C51 WeakPolarHBondContact SG-CA 3.33Å; C33-C51 WeakPolarHBondContact SG-CB 3.5Å; C33-C51 CovalentContact SG-SG 2.03Å; C33-C51 PolarHBondContact SG-SG 3.13Å; Y38-C51 HydrophobicContact CD1-CB 4.21Å; Y38-C51 HydrophobicContact CD2-CB 3.26Å; Y38-C51 HydrophobicContact CE2-CB 3.9Å; Y38-C51 HydrophobicContact CG-CB 3.45Å; Y38-C51 VanDerWaalsContact CG-CB 3.45Å; F40-C51 VanDerWaalsContact O-CA 3.32Å; F40-C51 WeakPolarHBondContact O-CA 3.42Å
52G82.9Confident88.2Confident0 Ų045.9 Ų45.90%023%0.232CC..EExtended strand (participates in β ladder)trans-163.7161.1175.700000112.3Y38 Q39 F40Y38-G52 VanDerWaalsContact CD1-CA 3.49Å; Q39-G52 PolarHBondContact N-O 2.81Å; F40-G52 WeakPolarHBondContact CA-O 3.3Å; F40-G52 WeakPolarHBondContact CB-O 3.49Å; F40-G52 WeakPolarHBondContact CD2-O 3.33Å; F40-G52 PolarHBondContact N-O 2.94Å; F40-G52 PolarHBondContact O-N 3.24Å
53N77.5Confident88.1Confident6 Ų652.5 Ų52.53%0.03226%0.263CS..SBendtrans-98.8-8.2175.8-75.3-41.9000112.7Y38 Q39 F40 T136Y38-N53 VanDerWaalsContact CA-OD1 3.29Å; Y38-N53 WeakPolarHBondContact CA-OD1 3.26Å; Q39-N53 PolarHBondContact N-OD1 2.9Å; F40-N53 WeakPolarHBondContact CE2-O 3.4Å; N53-T136 PolarHBondContact ND2-O 3.09Å
54R83.1Confident87.9Confident149 Ų14955.3 Ų55.356%0.56228%0.278SS*.SBendtrans-144.5142-179.6-63.5-179.6174.8-163.3-9.9109.5L13L13-R54 WeakPolarHBondContact CD2-O 3.41Å
55I89.1Confident87.9Confident47 Ų4754.6 Ų54.624%0.24128%0.276CS..  trans-94.8113.4170.6-54.5172.7000106.8M1 F4 A12 L13 F40 I85M1-I55 HydrophobicContact CE-CD1 3.78Å; F4-I55 HydrophobicContact CD1-CG2 3.48Å; F4-I55 VanDerWaalsContact CD1-CG2 3.48Å; F4-I55 HydrophobicContact CE1-CD1 4.39Å; F4-I55 HydrophobicContact CE1-CG2 3.54Å; F4-I55 HydrophobicContact CE2-CD1 4.43Å; F4-I55 HydrophobicContact CG-CG2 4.11Å; F4-I55 HydrophobicContact CZ-CD1 4.04Å; F4-I55 HydrophobicContact CZ-CG2 4.21Å; A12-I55 WeakPolarHBondContact O-CA 3.05Å; L13-I55 HydrophobicContact CD2-CG1 4.13Å; F40-I55 HydrophobicContact CD1-CD1 4.06Å; F40-I55 HydrophobicContact CD1-CG1 4.32Å; F40-I55 HydrophobicContact CD2-CG1 4.04Å; F40-I55 HydrophobicContact CE1-CD1 4.07Å; F40-I55 HydrophobicContact CE1-CG1 4.49Å; F40-I55 HydrophobicContact CE2-CG1 4.21Å; F40-I55 HydrophobicContact CG-CD1 4.34Å; F40-I55 HydrophobicContact CG-CG1 4.1Å; F40-I55 HydrophobicContact CZ-CD1 4.35Å; F40-I55 HydrophobicContact CZ-CG1 4.43Å; I55-I85 HydrophobicContact CD1-CD1 4.25Å; I55-I85 HydrophobicContact CD1-CG2 3.85Å; I55-I85 HydrophobicContact CG1-CD1 4.09Å; I55-I85 HydrophobicContact CG1-CG2 4.32Å; I55-I85 HydrophobicContact CG2-CD1 3.89Å
56S87.3Confident88Confident95 Ų9552.7 Ų52.766%0.66428%0.281SS*.  trans-107.41.3-170.6-53.60000113.9A12A12-S56 PolarHBondContact O-N 2.81Å
57S87.8Confident88.2Confident12 Ų1255.7 Ų55.78%0.08430%0.296CS..SBendtrans-120.5157-179.870.80000111.4L5 A12L5-S57 WeakPolarHBondContact O-CB 3.5Å; L5-S57 PolarHBondContact O-OG 3.14Å; A12-S57 VanDerWaalsContact CA-OG 3.24Å; A12-S57 WeakPolarHBondContact CA-OG 3.49Å; A12-S57 WeakPolarHBondContact CB-OG 3.46Å
58P90.4Very high88.7Confident81 Ų8159.1 Ų59.153%0.52632%0.317SS..  trans-71.8158.6178.730.6-35.4000112L5L5-P58 HydrophobicContact CD1-CG 3.7Å; L5-P58 HydrophobicContact CG-CG 4.25Å; L5-P58 PolarHBondContact N-O 3.38Å; L5-P58 VanDerWaalsContact N-O 3.1Å
59Q93.4Very high88.8Confident134 Ų13457 Ų5763%0.62631%0.307SS*.EExtended strand (participates in β ladder)trans-63.4148172.4-78.8-178-40.300111.4M1 C3 F4M1-Q59 PolarHBondContact O-NE2 3.1Å; C3-Q59 CarbonylContact O-C 3.34Å; C3-Q59 WeakPolarHBondContact O-CA 3.46Å; F4-Q59 HydrophobicContact CD1-CB 4.49Å; F4-Q59 HydrophobicContact CD1-CG 3.83Å; F4-Q59 HydrophobicContact CE1-CB 4.37Å; F4-Q59 HydrophobicContact CE1-CG 3.29Å; F4-Q59 HydrophobicContact CE2-CG 4.32Å; F4-Q59 HydrophobicContact CZ-CG 3.58Å
60A91.9Very high88.6Confident16 Ų1664.3 Ų64.313%0.13234%0.335CS..EExtended strand (participates in β ladder)trans-117.7163.4173.500000109.7C3 L5C3-A60 HydrophobicContact CB-CB 4.4Å; C3-A60 PolarHBondContact O-N 2.67Å; L5-A60 HydrophobicContact CD2-CB 4Å; L5-A60 HydrophobicContact CG-CB 4.45Å
61P93.4Very high88.3Confident65 Ų6565.6 Ų65.642%0.42235%0.35SS..  trans-54.8144.2173.4-24.334.7000111.9C3 E63 D64C3-P61 WeakPolarHBondContact CB-O 3.46Å; C3-P61 PolarHBondContact SG-O 2.82Å; C3-P61 VanDerWaalsContact SG-O 3.37Å; P61-E63 VanDerWaalsContact C-N 3.28Å; P61-E63 HydrophobicContact CB-CG 4.02Å; P61-E63 PolarHBondContact O-N 3.48Å; P61-D64 WeakPolarHBondContact O-CB 3.48Å; P61-D64 PolarHBondContact O-N 3.29Å
62E91Very high88.3Confident152 Ų15269 Ų6971%0.7137%0.366SS*.G310 helixtrans-66.2-31.5-178.1-71.6-168.9161.900112.4D64 C65E62-D64 PolarHBondContact O-N 2.83Å; E62-C65 PolarHBondContact O-N 3.21Å
63E91.4Very high88.2Confident140 Ų14080.8 Ų80.865%0.65441%0.411SS*.G310 helixtrans-60.3-27.1176.159.3-103.1-149.200113.7P61 C65 S66P61-E63 VanDerWaalsContact C-N 3.28Å; P61-E63 HydrophobicContact CB-CG 4.02Å; P61-E63 PolarHBondContact O-N 3.48Å; E63-C65 PolarHBondContact O-N 2.9Å; E63-S66 VanDerWaalsContact O-CB 3.23Å; E63-S66 WeakPolarHBondContact O-CB 3.23Å; E63-S66 PolarHBondContact O-N 3.29Å; E63-S66 PolarHBondContact O-OG 3.17Å
64D90.3Very high88.3Confident59 Ų5983.7 Ų83.732%0.31644%0.442SS..G310 helixtrans-68.3-17.7177.2-82.16000111.5P61 E62 G79 R82P61-D64 WeakPolarHBondContact O-CB 3.48Å; P61-D64 PolarHBondContact O-N 3.29Å; E62-D64 PolarHBondContact O-N 2.83Å; D64-G79 VanDerWaalsContact O-CA 3.26Å; D64-G79 WeakPolarHBondContact O-CA 3.31Å; D64-R82 HydrophobicContact CB-CG 3.9Å; D64-R82 IonicContact OD2-CZ 2.82Å; D64-R82 IonicContact OD2-NE 3.32Å; D64-R82 PolarHBondContact OD2-NE 3.2Å; D64-R82 IonicContact OD2-NH2 2.57Å; D64-R82 PolarHBondContact OD2-NH2 3.4Å
65C92.1Very high88.4Confident6 Ų678 Ų784%0.04143%0.425CS..G310 helixtrans-107.139.8179.1-79.60000113.1C3 E62 E63 P76 G78 L83 S84C3-C65 WeakPolarHBondContact CA-SG 3.41Å; C3-C65 HydrophobicContact CB-CB 3.6Å; C3-C65 WeakPolarHBondContact CB-SG 3.35Å; C3-C65 WeakPolarHBondContact SG-CB 3.39Å; C3-C65 CovalentContact SG-SG 2.03Å; C3-C65 PolarHBondContact SG-SG 3.49Å; E62-C65 PolarHBondContact O-N 3.21Å; E63-C65 PolarHBondContact O-N 2.9Å; C65-P76 WeakPolarHBondContact O-CB 3.48Å; C65-G78 CarbonylContact C-O 3.56Å; C65-G78 WeakPolarHBondContact CA-O 3.18Å; C65-L83 VanDerWaalsContact SG-C 3.51Å; C65-S84 VanDerWaalsContact CB-OG 3.32Å; C65-S84 WeakPolarHBondContact CB-OG 3.01Å
66S91.7Very high88.2Confident84 Ų8478.8 Ų78.859%0.58743%0.433SS*.BIsolated β-bridgetrans-95.43.7-173.253.30000115.3E63 V68 G78E63-S66 VanDerWaalsContact O-CB 3.23Å; E63-S66 WeakPolarHBondContact O-CB 3.23Å; E63-S66 PolarHBondContact O-N 3.29Å; E63-S66 PolarHBondContact O-OG 3.17Å; S66-V68 PolarHBondContact O-N 2.92Å; S66-G78 PolarHBondContact N-O 2.85Å
67L91.3Very high88.4Confident64 Ų6474.3 Ų74.334%0.33540%0.402SS..PPolyproline II helixtrans-69.2134.8177.4-65.8176.5000110.5Y45 P76 C77 G78 V80Y45-L67 HydrophobicContact CD2-CD1 4.05Å; L67-P76 CarbonylContact O-C 3.56Å; L67-C77 WeakPolarHBondContact O-CA 3.46Å; L67-C77 VanDerWaalsContact O-CB 3.3Å; L67-C77 WeakPolarHBondContact O-CB 3.36Å; L67-C77 PolarHBondContact O-N 2.77Å; L67-G78 VanDerWaalsContact CB-O 3.25Å; L67-G78 WeakPolarHBondContact CB-O 3.44Å; L67-G78 PolarHBondContact N-O 2.85Å; L67-V80 HydrophobicContact CD1-CG2 4.27Å
68V91.3Very high88.6Confident73 Ų7373.7 Ų73.744%0.44240%0.398SS..BIsolated β-bridgetrans-79.7140.2-178.2-177.30000110.8G46 S66 G74 S75G46-V68 WeakPolarHBondContact CA-O 3.21Å; S66-V68 PolarHBondContact O-N 2.92Å; V68-G74 VanDerWaalsContact CG1-N 3.33Å; V68-S75 WeakPolarHBondContact CA-O 3.47Å
69C88.6Confident88.5Confident4 Ų469.9 Ų69.93%0.02737%0.373CS..PPolyproline II helixtrans-60.5136.9175.2-79.60000111.5M24 G46 G71 E72 S75 C77M24-C69 WeakPolarHBondContact O-CB 3.28Å; G46-C69 CarbonylContact O-C 3.52Å; G46-C69 WeakPolarHBondContact O-CA 3.25Å; C69-G71 VanDerWaalsContact C-N 3.3Å; C69-G71 PolarHBondContact O-N 3.43Å; C69-E72 HydrophobicContact CB-CB 4.28Å; C69-E72 CarbonylContact O-C 3.5Å; C69-E72 PolarHBondContact O-N 3.35Å; C69-S75 PolarHBondContact N-O 2.03Å; C69-C77 VanDerWaalsContact CA-CB 3.43Å; C69-C77 WeakPolarHBondContact CA-SG 3.32Å; C69-C77 HydrophobicContact CB-CB 3.69Å; C69-C77 WeakPolarHBondContact CB-SG 3.49Å; C69-C77 VanDerWaalsContact N-CB 3.33Å; C69-C77 WeakPolarHBondContact SG-CB 3.19Å; C69-C77 CovalentContact SG-SG 2.04Å; C69-C77 PolarHBondContact SG-SG 3.09Å
70R84.2Confident88.3Confident155 Ų15568.8 Ų68.859%0.58538%0.375SS*.SBendtrans-66.3-32.8-179.6-66.5-61.9177179-2.8112.9L21 R22 G46 A47L21-R70 WeakPolarHBondContact O-CB 3.49Å; L21-R70 WeakPolarHBondContact O-CG 3.34Å; R22-R70 CarbonylContact O-C 3.56Å; G46-R70 WeakPolarHBondContact O-CG 3.35Å; G46-R70 PolarHBondContact O-N 3.37Å; A47-R70 HydrophobicContact CB-CG 3.9Å
71G82.4Confident88.1Confident36 Ų3668.9 Ų68.937%0.37138%0.377SS..SBendtrans-90.3-10.7179.500000115.3R22 M24 C69R22-G71 VanDerWaalsContact O-CA 3.26Å; R22-G71 WeakPolarHBondContact O-CA 3.31Å; R22-G71 PolarHBondContact O-N 3.24Å; M24-G71 VanDerWaalsContact O-CA 3.29Å; M24-G71 WeakPolarHBondContact O-CA 3.46Å; M24-G71 PolarHBondContact O-N 3.17Å; C69-G71 VanDerWaalsContact C-N 3.3Å; C69-G71 PolarHBondContact O-N 3.43Å
72E84.1Confident88Confident72 Ų7268.8 Ų68.834%0.33637%0.369SS..SBendtrans-145112.4-176.2-174.9172.6-119.800110.4T25 C69 G74 S75T25-E72 HydrophobicContact CG2-CB 3.69Å; C69-E72 HydrophobicContact CB-CB 4.28Å; C69-E72 CarbonylContact O-C 3.5Å; C69-E72 PolarHBondContact O-N 3.35Å; E72-G74 PolarHBondContact O-N 2.88Å; E72-S75 WeakPolarHBondContact CG-OG 3.24Å; E72-S75 WeakPolarHBondContact OE2-CB 3.36Å; E72-S75 PolarHBondContact OE2-OG 2.76Å
73R80.7Confident88.2Confident247 Ų24761.6 Ų61.693%0.93234%0.335SS*.THydrogen-bonded Turntrans-70.8126.9179.2-71.8-172.4-79.7-128.5-0.4109.9
74G79.6Confident88.3Confident66 Ų6655.3 Ų55.368%0.6831%0.307SS*.THydrogen-bonded Turntrans97.2-12.6174.300000115V68 E72V68-G74 VanDerWaalsContact CG1-N 3.33Å; E72-G74 PolarHBondContact O-N 2.88Å
75S83.8Confident88.5Confident29 Ų2952.6 Ų52.620%0.20329%0.292CS..  trans-87.7131.7175.9-67.10000111.5V68 C69 E72V68-S75 WeakPolarHBondContact CA-O 3.47Å; C69-S75 PolarHBondContact N-O 2.03Å; E72-S75 WeakPolarHBondContact CG-OG 3.24Å; E72-S75 WeakPolarHBondContact OE2-CB 3.36Å; E72-S75 PolarHBondContact OE2-OG 2.76Å
76P86.1Confident88.5Confident65 Ų6554.6 Ų54.642%0.42230%0.299SS..BIsolated β-bridgetrans-67.3147.4173.929.1-33.7000110.6C65 L67 Y86C65-P76 WeakPolarHBondContact O-CB 3.48Å; L67-P76 CarbonylContact O-C 3.56Å; P76-Y86 PolarHBondContact O-OH 2.98Å; P76-Y86 VanDerWaalsContact O-OH 3.06Å
77C90.8Very high88.3Confident0 Ų055.4 Ų55.40%029%0.292CS..  trans-151.245-166.5-135.10000110.3L43 E44 Y45 G46 L67 C69L43-C77 HydrophobicContact CB-CB 4.3Å; L43-C77 HydrophobicContact CD1-CB 4.43Å; E44-C77 CarbonylContact C-O 3.52Å; Y45-C77 PolarHBondContact N-O 2.86Å; G46-C77 PolarHBondContact N-O 3.1Å; L67-C77 WeakPolarHBondContact O-CA 3.46Å; L67-C77 VanDerWaalsContact O-CB 3.3Å; L67-C77 WeakPolarHBondContact O-CB 3.36Å; L67-C77 PolarHBondContact O-N 2.77Å; C69-C77 VanDerWaalsContact CA-CB 3.43Å; C69-C77 WeakPolarHBondContact CA-SG 3.32Å; C69-C77 HydrophobicContact CB-CB 3.69Å; C69-C77 WeakPolarHBondContact CB-SG 3.49Å; C69-C77 VanDerWaalsContact N-CB 3.33Å; C69-C77 WeakPolarHBondContact SG-CB 3.19Å; C69-C77 CovalentContact SG-SG 2.04Å; C69-C77 PolarHBondContact SG-SG 3.09Å
78G92.3Very high87.9Confident0 Ų052.8 Ų52.80%028%0.279CS..BIsolated β-bridgetrans75.4-160.4-177.800000114.3L43 C65 S66 L67 R82 S84L43-G78 WeakPolarHBondContact O-CA 3.35Å; L43-G78 PolarHBondContact O-N 2.77Å; C65-G78 CarbonylContact C-O 3.56Å; C65-G78 WeakPolarHBondContact CA-O 3.18Å; S66-G78 PolarHBondContact N-O 2.85Å; L67-G78 VanDerWaalsContact CB-O 3.25Å; L67-G78 WeakPolarHBondContact CB-O 3.44Å; L67-G78 PolarHBondContact N-O 2.85Å; G78-R82 WeakPolarHBondContact CA-O 2.91Å; G78-S84 VanDerWaalsContact CA-OG 3.25Å; G78-S84 WeakPolarHBondContact CA-OG 3.44Å; G78-S84 PolarHBondContact N-OG 3.48Å
79G89.3Confident86.8Confident1 Ų157.8 Ų57.81%0.0130%0.297CS..BIsolated β-bridgetrans-144.9-165.6-178.500000111.3E44 Y45 D64 R82E44-G79 VanDerWaalsContact CG-O 3.26Å; E44-G79 WeakPolarHBondContact CG-O 3.37Å; Y45-G79 PolarHBondContact N-O 2.67Å; Y45-G79 VanDerWaalsContact N-O 3.14Å; D64-G79 VanDerWaalsContact O-CA 3.26Å; D64-G79 WeakPolarHBondContact O-CA 3.31Å; G79-R82 PolarHBondContact N-O 3.15Å
80V88.1Confident85.1Confident110 Ų11063.8 Ų63.867%0.66733%0.325SS*.THydrogen-bonded Turntrans-84.7112.8171.9-172.70000108.2Y45 L67 R82Y45-V80 HydrophobicContact CD2-CG2 4.01Å; Y45-V80 HydrophobicContact CE2-CG2 3.88Å; L67-V80 HydrophobicContact CD1-CG2 4.27Å; V80-R82 VanDerWaalsContact C-N 3.3Å
81G87.1Confident83.5Confident18 Ų1860.7 Ų60.719%0.18632%0.317CS..THydrogen-bonded Turntrans70.528.8-17600000113.3H6 E44H6-G81 PolarHBondContact N-O 2.9Å; H6-G81 CarbonylContact O-C 3.52Å; H6-G81 WeakPolarHBondContact O-CA 3.36Å; H6-G81 VanDerWaalsContact O-O 3.04Å; E44-G81 WeakPolarHBondContact OE1-CA 3.42Å; E44-G81 PolarHBondContact OE1-N 2.04Å
82R92.6Very high81.9Confident64 Ų6464.9 Ų64.924%0.24233%0.33CS..EExtended strand (participates in β ladder)trans-147.5125.7-169.3-66.1-73.1-173.3-74.5-3.9110.6F4 E44 D64 G78 G79 V80F4-R82 CarbonylContact O-C 3.56Å; F4-R82 WeakPolarHBondContact O-CA 3.41Å; E44-R82 PolarHBondContact OE1-N 2.81Å; D64-R82 HydrophobicContact CB-CG 3.9Å; D64-R82 IonicContact OD2-CZ 2.82Å; D64-R82 IonicContact OD2-NE 3.32Å; D64-R82 PolarHBondContact OD2-NE 3.2Å; D64-R82 IonicContact OD2-NH2 2.57Å; D64-R82 PolarHBondContact OD2-NH2 3.4Å; G78-R82 WeakPolarHBondContact CA-O 2.91Å; G79-R82 PolarHBondContact N-O 3.15Å; V80-R82 VanDerWaalsContact C-N 3.3Å
83L94.3Very high80.1Confident0 Ų067 Ų670%035%0.35CS..EExtended strand (participates in β ladder)trans-103.8121.6-179.9-88.7166.2000111.5C3 F4 H6 A12 L13 G42 L43 E44 H50 C65 I85C3-L83 CarbonylContact C-O 3.57Å; C3-L83 WeakPolarHBondContact CA-O 3.37Å; F4-L83 PolarHBondContact N-O 2.66Å; F4-L83 PolarHBondContact O-N 2.95Å; H6-L83 HydrophobicContact CB-CB 4.32Å; H6-L83 HydrophobicContact CB-CD1 3.65Å; H6-L83 HydrophobicContact CB-CG 3.79Å; H6-L83 WeakPolarHBondContact ND1-CD1 3.19Å; A12-L83 HydrophobicContact CB-CB 4.47Å; A12-L83 HydrophobicContact CB-CD1 3.6Å; L13-L83 HydrophobicContact CG-CD1 4.45Å; G42-L83 VanDerWaalsContact O-CD2 3.31Å; G42-L83 WeakPolarHBondContact O-CD2 3.45Å; L43-L83 CarbonylContact O-C 3.49Å; L43-L83 WeakPolarHBondContact O-CA 3.45Å; L43-L83 WeakPolarHBondContact O-CD2 3.49Å; E44-L83 HydrophobicContact CB-CD2 3.9Å; E44-L83 HydrophobicContact CB-CG 4.31Å; H50-L83 HydrophobicContact CB-CD1 4.17Å; H50-L83 HydrophobicContact CB-CD2 3.87Å; C65-L83 VanDerWaalsContact SG-C 3.51Å; L83-I85 HydrophobicContact CB-CD1 4.35Å; L83-I85 HydrophobicContact CB-CG1 3.9Å; L83-I85 PolarHBondContact O-N 2.92Å
84S94.3Very high78.6Confident9 Ų957.8 Ų57.86%0.06333%0.333CS..EExtended strand (participates in β ladder)trans-75.5104161.2-70.20000108.1G42 L43 C65 G78 Y86G42-S84 CarbonylContact C-O 3.56Å; G42-S84 VanDerWaalsContact CA-O 3.25Å; G42-S84 WeakPolarHBondContact CA-O 3.05Å; L43-S84 PolarHBondContact N-O 2.8Å; L43-S84 PolarHBondContact O-N 2.92Å; C65-S84 VanDerWaalsContact CB-OG 3.32Å; C65-S84 WeakPolarHBondContact CB-OG 3.01Å; G78-S84 VanDerWaalsContact CA-OG 3.25Å; G78-S84 WeakPolarHBondContact CA-OG 3.44Å; G78-S84 PolarHBondContact N-OG 3.48Å; S84-Y86 VanDerWaalsContact O-CD2 3.28Å; S84-Y86 WeakPolarHBondContact O-CD2 3.45Å; S84-Y86 WeakPolarHBondContact O-CE2 3.27Å
85I94.4Very high77.1Confident2 Ų260.6 Ų60.61%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-94.4133.6-177.4-57.6-176.2000111.3M1 G2 F4 A12 L13 F40 A41 I55 L83M1-I85 WeakPolarHBondContact CA-O 3.36Å; M1-I85 HydrophobicContact CB-CB 4.23Å; M1-I85 HydrophobicContact CB-CG2 4.12Å; M1-I85 WeakPolarHBondContact CB-O 3.29Å; M1-I85 HydrophobicContact CG-CG2 4.3Å; M1-I85 PolarHBondContact N-O 2.96Å; G2-I85 PolarHBondContact N-O 2.99Å; G2-I85 PolarHBondContact O-N 3.19Å; F4-I85 HydrophobicContact CB-CD1 3.84Å; F4-I85 HydrophobicContact CB-CG1 4.38Å; F4-I85 HydrophobicContact CD1-CD1 4.41Å; F4-I85 HydrophobicContact CD2-CB 3.73Å; F4-I85 HydrophobicContact CD2-CD1 3.47Å; F4-I85 VanDerWaalsContact CD2-CD1 3.47Å; F4-I85 HydrophobicContact CD2-CG1 3.58Å; F4-I85 HydrophobicContact CE2-CB 3.84Å; F4-I85 HydrophobicContact CE2-CD1 4.1Å; F4-I85 HydrophobicContact CE2-CG1 4.2Å; F4-I85 HydrophobicContact CG-CD1 3.65Å; F4-I85 HydrophobicContact CG-CG1 4.21Å; A12-I85 HydrophobicContact CB-CD1 3.97Å; L13-I85 HydrophobicContact CD1-CD1 4.3Å; L13-I85 HydrophobicContact CD1-CG1 4.4Å; L13-I85 HydrophobicContact CD2-CD1 4.1Å; L13-I85 HydrophobicContact CG-CD1 4.03Å; F40-I85 HydrophobicContact CB-CG2 4.05Å; F40-I85 HydrophobicContact CD1-CG2 4.22Å; F40-I85 HydrophobicContact CG-CG2 4.42Å; A41-I85 CarbonylContact O-C 3.56Å; A41-I85 WeakPolarHBondContact O-CA 3.14Å; I55-I85 HydrophobicContact CD1-CD1 4.25Å; I55-I85 HydrophobicContact CD1-CG2 3.85Å; I55-I85 HydrophobicContact CG1-CD1 4.09Å; I55-I85 HydrophobicContact CG1-CG2 4.32Å; I55-I85 HydrophobicContact CG2-CD1 3.89Å; L83-I85 HydrophobicContact CB-CD1 4.35Å; L83-I85 HydrophobicContact CB-CG1 3.9Å; L83-I85 PolarHBondContact O-N 2.92Å
86Y91Very high75.9Confident48 Ų4861.5 Ų61.519%0.18833%0.327CS..EExtended strand (participates in β ladder)trans-117.8139.5176.1-53.5-90.3000108.6Q30 F40 A41 L43 P76 S84Q30-Y86 HydrophobicContact CG-CG 4.3Å; F40-Y86 WeakPolarHBondContact CA-O 3.42Å; A41-Y86 PolarHBondContact N-O 2.79Å; A41-Y86 PolarHBondContact O-N 3.33Å; L43-Y86 HydrophobicContact CB-CE2 4.35Å; L43-Y86 HydrophobicContact CD1-CD2 4.25Å; L43-Y86 HydrophobicContact CD1-CE2 3.41Å; L43-Y86 VanDerWaalsContact CD1-CE2 3.41Å; L43-Y86 HydrophobicContact CG-CE2 4Å; P76-Y86 PolarHBondContact O-OH 2.98Å; P76-Y86 VanDerWaalsContact O-OH 3.06Å; S84-Y86 VanDerWaalsContact O-CD2 3.28Å; S84-Y86 WeakPolarHBondContact O-CD2 3.45Å; S84-Y86 WeakPolarHBondContact O-CE2 3.27Å
87K88.6Confident74.4Confident101 Ų10166.9 Ų66.944%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-80.3126.1165.9-171.6179.4178.5-170.70106.1M1 F40 E90M1-K87 HydrophobicContact CG-CB 4.18Å; M1-K87 HydrophobicContact SD-CB 4.27Å; F40-K87 HydrophobicContact CE1-CB 4.47Å; F40-K87 HydrophobicContact CE1-CG 4.29Å; K87-E90 WeakPolarHBondContact CE-OE1 3.43Å; K87-E90 IonicContact NZ-OE1 2.62Å; K87-E90 PolarHBondContact NZ-OE1 3.34Å
88V83.1Confident73Confident9 Ų968 Ų686%0.05535%0.348CS..PPolyproline II helixtrans-75.3131.1176.1-179.20000107.7Q30 C33 S34 Q39 A41 E90Q30-V88 HydrophobicContact CB-CG2 4.49Å; Q30-V88 WeakPolarHBondContact O-CG1 3.22Å; C33-V88 HydrophobicContact CB-CG2 4.04Å; S34-V88 WeakPolarHBondContact OG-CG1 3.4Å; Q39-V88 PolarHBondContact O-N 2.97Å; A41-V88 HydrophobicContact CB-CG2 3.72Å; V88-E90 PolarHBondContact O-N 3.31Å
89E68.1Low71Confident177 Ų17777 Ų7783%0.82738%0.382SS*.PPolyproline II helixtrans-57.2130.9179.2-82-174.3164.300110.8Q91E89-Q91 PolarHBondContact O-N 3.18Å; E89-Q91 VanDerWaalsContact O-N 3.12Å
90E52.8Low69.4Low131 Ų13182 Ų8261%0.61241%0.409SS*.  trans-67.1110.6-174.2-78171.5-160.300110.1K87 V88 L92K87-E90 WeakPolarHBondContact CE-OE1 3.43Å; K87-E90 IonicContact NZ-OE1 2.62Å; K87-E90 PolarHBondContact NZ-OE1 3.34Å; V88-E90 PolarHBondContact O-N 3.31Å; E90-L92 PolarHBondContact O-N 2.68Å
91Q51.1Low68.2Low90 Ų9078.6 Ų78.642%0.42139%0.388SS..  trans-65123.2150-65.7-160.3-1700107.1E89 H95 R96E89-Q91 PolarHBondContact O-N 3.18Å; E89-Q91 VanDerWaalsContact O-N 3.12Å; Q91-H95 HydrophobicContact CB-CB 4.15Å; Q91-H95 PolarHBondContact OE1-O 3.4Å; Q91-R96 HydrophobicContact CB-CG 4.33Å
92L48.9Very low67.6Low123 Ų12381.8 Ų81.864%0.64440%0.398SS*.  trans-41140.9176.6-73.6166.9000110.8E90 G94 H95E90-L92 PolarHBondContact O-N 2.68Å; L92-G94 PolarHBondContact O-N 3.16Å; L92-G94 VanDerWaalsContact O-N 3.09Å; L92-H95 WeakPolarHBondContact O-CB 3.49Å; L92-H95 PolarHBondContact O-N 2.9Å
93P44.6Very low67.1Low117 Ų11783 Ų8376%0.7641%0.406SS*.THydrogen-bonded Turntrans-49.1120.9175.5-24.732.4000110.5
94G49.4Very low66.4Low54 Ų5484.4 Ų84.456%0.55741%0.412SS*.THydrogen-bonded Turntrans98.9-7.7-173.600000116.8L92L92-G94 PolarHBondContact O-N 3.16Å; L92-G94 VanDerWaalsContact O-N 3.09Å
95H49.3Very low65.9Low125 Ų12584 Ų8458%0.57941%0.409SS*.  trans-96.1-11.7172.1-95.6-83.6000114.4Q91 L92 K97Q91-H95 HydrophobicContact CB-CB 4.15Å; Q91-H95 PolarHBondContact OE1-O 3.4Å; L92-H95 WeakPolarHBondContact O-CB 3.49Å; L92-H95 PolarHBondContact O-N 2.9Å; H95-K97 PolarHBondContact O-N 2.68Å
96R57.7Low65.6Low47 Ų4783.9 Ų83.918%0.17741%0.408CS..  trans-63.598.2179.1-66.7-177.9-179-178.91.7110.9Q91 F98 Q129 D137Q91-R96 HydrophobicContact CB-CG 4.33Å; R96-F98 HydrophobicContact CB-CE2 4.34Å; R96-F98 HydrophobicContact CB-CZ 4.45Å; R96-F98 PolarHBondContact O-N 3.23Å; R96-Q129 PolarHBondContact O-NE2 3.26Å; R96-D137 IonicContact NH1-OD1 2.79Å
97K55.6Low65.4Low178 Ų17881.9 Ų81.977%0.77440%0.4SS*.  trans-86.298.4175.5-73.8-173.3-179.4179.60110.9H95 R99H95-K97 PolarHBondContact O-N 2.68Å; K97-R99 PolarHBondContact O-N 3.42Å
98F60.8Low65.2Low23 Ų2384.3 Ų84.310%0.10141%0.411CS..  trans-74.2121.3171.6-58.8-75.5000111.1R96 N100 V101 I132 E133 T136 P199R96-F98 HydrophobicContact CB-CE2 4.34Å; R96-F98 HydrophobicContact CB-CZ 4.45Å; R96-F98 PolarHBondContact O-N 3.23Å; F98-N100 VanDerWaalsContact C-N 3.31Å; F98-N100 PolarHBondContact O-N 2.94Å; F98-V101 HydrophobicContact CB-CB 4.33Å; F98-V101 HydrophobicContact CB-CG2 3.34Å; F98-V101 HydrophobicContact CD2-CG2 4.08Å; F98-V101 HydrophobicContact CG-CG2 3.93Å; F98-I132 HydrophobicContact CD2-CG2 4.15Å; F98-I132 HydrophobicContact CE2-CG2 4.11Å; F98-E133 HydrophobicContact CE2-CG 3.56Å; F98-E133 HydrophobicContact CZ-CG 3.93Å; F98-T136 HydrophobicContact CE1-CG2 4.22Å; F98-T136 HydrophobicContact CZ-CG2 4.49Å; F98-P199 HydrophobicContact CB-CG 4.11Å; F98-P199 HydrophobicContact CD1-CB 4.43Å; F98-P199 HydrophobicContact CD1-CG 3.25Å; F98-P199 HydrophobicContact CE1-CG 3.7Å; F98-P199 HydrophobicContact CG-CG 3.85Å
99R50.7Low65.2Low191 Ų19184.3 Ų84.372%0.72141%0.411SS*.THydrogen-bonded Turntrans-77.4-12179.4-76.9-178.7162.7160.4-4.5114.5E35 K97E35-R99 IonicContact OE1-NH1 3.22Å; E35-R99 PolarHBondContact OE1-NH1 2.97Å; E35-R99 IonicContact OE2-NH1 2.79Å; E35-R99 PolarHBondContact OE2-NH1 3.34Å; K97-R99 PolarHBondContact O-N 3.42Å
100N54.9Low65.9Low105 Ų10580.1 Ų80.156%0.56140%0.397SS*.THydrogen-bonded Turntrans-123.527.4-173-58.6-23.1000113.4F98F98-N100 VanDerWaalsContact C-N 3.31Å; F98-N100 PolarHBondContact O-N 2.94Å
101V63.6Low67Low39 Ų3979.2 Ų79.224%0.23640%0.397CS..  trans-85.8115.4174167.60000108.5F98 I132 Y196F98-V101 HydrophobicContact CB-CB 4.33Å; F98-V101 HydrophobicContact CB-CG2 3.34Å; F98-V101 HydrophobicContact CD2-CG2 4.08Å; F98-V101 HydrophobicContact CG-CG2 3.93Å; V101-I132 HydrophobicContact CB-CD1 4.48Å; V101-I132 HydrophobicContact CG1-CD1 3.35Å; V101-I132 HydrophobicContact CG1-CG1 4.34Å; V101-I132 HydrophobicContact CG2-CD1 4.31Å; V101-I132 HydrophobicContact CG2-CG2 3.76Å; V101-Y196 HydrophobicContact CG1-CD1 4.05Å
102H73.6Confident68.3Low84 Ų8477.9 Ų77.939%0.38941%0.407SS..EExtended strand (participates in β ladder)trans-111.8121.3178.5-61.3-57.1000109.8R104 Y196 H197H102-R104 PolarHBondContact O-N 3.26Å; H102-Y196 WeakPolarHBondContact O-CA 3.37Å; H102-H197 PolarHBondContact O-N 3.21Å
103Q83.4Confident69.8Low90 Ų9073.2 Ų73.242%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-64.8117.4163.9178.2170.2-33.400107.5E167 L194 Y196Q103-E167 PolarHBondContact NE2-OE1 3.47Å; Q103-L194 HydrophobicContact CG-CD1 4.17Å; Q103-Y196 HydrophobicContact CB-CD1 4Å; Q103-Y196 HydrophobicContact CB-CE1 3.69Å; Q103-Y196 HydrophobicContact CG-CE1 4.1Å
104R78.3Confident71.5Confident30 Ų3068 Ų6811%0.11335%0.35CS..EExtended strand (participates in β ladder)trans-82.2-31.1178.3-170.9173.3173128.52.1111.4H102 F107 F159 V195 H197H102-R104 PolarHBondContact O-N 3.26Å; R104-F107 HydrophobicContact CB-CE2 4.22Å; R104-F107 HydrophobicContact CG-CE2 3.88Å; R104-F107 HydrophobicContact CG-CZ 3.94Å; R104-F159 PolarHBondContact NH2-O 3.43Å; R104-V195 HydrophobicContact CB-CB 4.31Å; R104-V195 HydrophobicContact CB-CG1 4.25Å; R104-V195 WeakPolarHBondContact CB-O 3.42Å; R104-V195 PolarHBondContact N-O 3.27Å; R104-H197 PolarHBondContact NH1-NE2 2.94Å; R104-H197 VanDerWaalsContact NH1-NE2 3.18Å
105G84.5Confident73Confident0 Ų068.7 Ų68.70%036%0.357CS..EExtended strand (participates in β ladder)trans131.9-170.6177.400000113.1F107 V195G105-F107 WeakPolarHBondContact O-CD2 3.47Å; G105-F107 WeakPolarHBondContact O-CE2 3.19Å; G105-V195 PolarHBondContact O-N 2.88Å
106C87.2Confident74.6Confident0 Ų066.5 Ų66.50%036%0.36CS..EExtended strand (participates in β ladder)trans-95.8129.3179.2-175.50000110.7S165 C170C106-S165 PolarHBondContact O-N 3.18Å; C106-C170 WeakPolarHBondContact CA-SG 3.26Å; C106-C170 HydrophobicContact CB-CB 3.7Å; C106-C170 WeakPolarHBondContact CB-SG 3.29Å; C106-C170 WeakPolarHBondContact SG-CB 3.42Å; C106-C170 PolarHBondContact SG-N 3.32Å; C106-C170 VanDerWaalsContact SG-N 3.38Å; C106-C170 CovalentContact SG-SG 2.02Å; C106-C170 PolarHBondContact SG-SG 3.2Å
107F86.6Confident76.2Confident5 Ų565.1 Ų65.12%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-130.5139.5-177.6-63.9-88.3000111.3R104 G105 L109 F159 D160 Q164 H192 Y193 V195R104-F107 HydrophobicContact CB-CE2 4.22Å; R104-F107 HydrophobicContact CG-CE2 3.88Å; R104-F107 HydrophobicContact CG-CZ 3.94Å; G105-F107 WeakPolarHBondContact O-CD2 3.47Å; G105-F107 WeakPolarHBondContact O-CE2 3.19Å; F107-L109 HydrophobicContact CB-CD2 4.45Å; F107-F159 HydrophobicContact CB-CD1 4.36Å; F107-F159 HydrophobicContact CG-CD1 4.26Å; F107-D160 WeakPolarHBondContact CE1-O 3.27Å; F107-Q164 HydrophobicContact CE1-CB 4.21Å; F107-Q164 HydrophobicContact CZ-CB 4.36Å; F107-H192 CarbonylContact O-C 3.51Å; F107-H192 WeakPolarHBondContact O-CA 3.38Å; F107-Y193 PolarHBondContact N-O 3.33Å; F107-Y193 PolarHBondContact O-N 2.75Å; F107-V195 HydrophobicContact CB-CG2 4.41Å; F107-V195 HydrophobicContact CD2-CB 3.83Å; F107-V195 HydrophobicContact CD2-CG2 3.5Å; F107-V195 VanDerWaalsContact CD2-CG2 3.5Å; F107-V195 HydrophobicContact CE2-CB 4.04Å; F107-V195 HydrophobicContact CE2-CG2 4.21Å; F107-V195 HydrophobicContact CG-CG2 4.29Å
108K86Confident77.7Confident152 Ų15259.4 Ų59.466%0.66134%0.336SS*.EExtended strand (participates in β ladder)trans-85.8116173.1-168.8177.9179.5179.80110.1G191K108-G191 CarbonylContact C-O 3.54Å; K108-G191 VanDerWaalsContact CA-O 3.29Å; K108-G191 WeakPolarHBondContact CA-O 3.35Å
109L83.1Confident79.1Confident10 Ų1060.6 Ų60.65%0.05234%0.343CS..  trans-116.8148.2178.9-51174000110.4F107 T113 V114 F117 V144 F159 G191 Y193F107-L109 HydrophobicContact CB-CD2 4.45Å; L109-T113 HydrophobicContact CD2-CG2 4.44Å; L109-V114 HydrophobicContact CB-CG2 3.71Å; L109-V114 HydrophobicContact CD1-CG2 4.01Å; L109-F117 HydrophobicContact CD1-CE2 4.08Å; L109-F117 HydrophobicContact CD1-CZ 4.08Å; L109-V144 HydrophobicContact CD1-CG1 3.77Å; L109-F159 HydrophobicContact CD1-CE1 3.69Å; L109-F159 HydrophobicContact CD1-CZ 4.11Å; L109-F159 HydrophobicContact CD2-CD1 4.03Å; L109-F159 HydrophobicContact CD2-CE1 3.53Å; L109-F159 HydrophobicContact CD2-CZ 4.22Å; L109-F159 HydrophobicContact CG-CE1 4.18Å; L109-G191 PolarHBondContact N-O 2.96Å; L109-G191 VanDerWaalsContact O-O 3.11Å; L109-Y193 HydrophobicContact CB-CD2 3.68Å; L109-Y193 HydrophobicContact CB-CE2 3.86Å; L109-Y193 HydrophobicContact CD1-CD2 3.6Å; L109-Y193 HydrophobicContact CD1-CE2 4.34Å; L109-Y193 HydrophobicContact CD1-CG 3.74Å; L109-Y193 HydrophobicContact CG-CD2 3.78Å; L109-Y193 HydrophobicContact CG-CE2 4.46Å; L109-Y193 HydrophobicContact CG-CG 4.37Å
110T81.9Confident81.1Confident89 Ų8956.1 Ų56.155%0.54633%0.331SS..  trans-89.5156.1174.474.70000110.9G112 T113 V114T110-G112 PolarHBondContact O-N 3.31Å; T110-T113 WeakPolarHBondContact O-CA 3.16Å; T110-T113 VanDerWaalsContact O-CB 3.28Å; T110-T113 WeakPolarHBondContact O-CB 3.48Å; T110-T113 PolarHBondContact O-N 3.12Å; T110-T113 PolarHBondContact OG1-N 3.33Å; T110-T113 PolarHBondContact OG1-OG1 3.06Å; T110-V114 WeakPolarHBondContact O-CG2 3.11Å; T110-V114 PolarHBondContact O-N 3.01Å
111N76.3Confident82.6Confident112 Ų11252.4 Ų52.460%0.59931%0.313SS*.Hα-helixtrans-58.3-34.1177.3-71.9-9.4000112.5V114 G115N111-V114 PolarHBondContact O-N 2.78Å; N111-G115 PolarHBondContact O-N 3.17Å
112G77.4Confident83.9Confident61 Ų6154.7 Ų54.763%0.62933%0.326SS*.Hα-helixtrans-66.3-36.9174.100000113T110 A116T110-G112 PolarHBondContact O-N 3.31Å; G112-A116 PolarHBondContact O-N 3.39Å
113T80.3Confident84.3Confident26 Ų2652.9 Ų52.916%0.1632%0.318CS..Hα-helixtrans-64.7-47.9175.1-50.60000111.4L109 T110 A116 F117 L158L109-T113 HydrophobicContact CD2-CG2 4.44Å; T110-T113 WeakPolarHBondContact O-CA 3.16Å; T110-T113 VanDerWaalsContact O-CB 3.28Å; T110-T113 WeakPolarHBondContact O-CB 3.48Å; T110-T113 PolarHBondContact O-N 3.12Å; T110-T113 PolarHBondContact OG1-N 3.33Å; T110-T113 PolarHBondContact OG1-OG1 3.06Å; T113-A116 PolarHBondContact O-N 3.26Å; T113-F117 HydrophobicContact CG2-CE1 4.18Å; T113-F117 HydrophobicContact CG2-CZ 4.12Å; T113-F117 WeakPolarHBondContact O-CD1 3.36Å; T113-F117 WeakPolarHBondContact O-CE1 3.38Å; T113-L158 HydrophobicContact CG2-CB 4.2Å; T113-L158 HydrophobicContact CG2-CD1 3.45Å; T113-L158 VanDerWaalsContact CG2-CD1 3.45Å; T113-L158 HydrophobicContact CG2-CD2 3.91Å; T113-L158 HydrophobicContact CG2-CG 4.05Å
114V81.9Confident84.2Confident8 Ų854.4 Ų54.45%0.04834%0.336CS..Hα-helixtrans-71-34.8-176.3-178.50000111.6L109 T110 N111 A116 F117 F151 Y193L109-V114 HydrophobicContact CB-CG2 3.71Å; L109-V114 HydrophobicContact CD1-CG2 4.01Å; T110-V114 WeakPolarHBondContact O-CG2 3.11Å; T110-V114 PolarHBondContact O-N 3.01Å; N111-V114 PolarHBondContact O-N 2.78Å; V114-A116 PolarHBondContact O-N 3.29Å; V114-F117 HydrophobicContact CB-CD2 4.31Å; V114-F117 HydrophobicContact CB-CE2 4.16Å; V114-F117 HydrophobicContact CG1-CD2 4.01Å; V114-F117 HydrophobicContact CG1-CE2 4.14Å; V114-F117 HydrophobicContact CG2-CE2 4Å; V114-F117 WeakPolarHBondContact O-CB 3.29Å; V114-F117 WeakPolarHBondContact O-CG 2.95Å; V114-F117 PolarHBondContact O-N 3.29Å; V114-F117 VanDerWaalsContact O-N 3.16Å; V114-F151 HydrophobicContact CG1-CD1 3.58Å; V114-F151 HydrophobicContact CG1-CD2 3.81Å; V114-F151 HydrophobicContact CG1-CE1 3.25Å; V114-F151 HydrophobicContact CG1-CE2 3.5Å; V114-F151 HydrophobicContact CG1-CG 3.86Å; V114-F151 HydrophobicContact CG1-CZ 3.22Å; V114-Y193 HydrophobicContact CG1-CE1 4.33Å; V114-Y193 HydrophobicContact CG2-CD2 4.45Å; V114-Y193 HydrophobicContact CG2-CE1 4.2Å; V114-Y193 HydrophobicContact CG2-CE2 3.84Å
115G79.4Confident84.5Confident68 Ų6859.9 Ų59.970%0.70137%0.368SS*.Hα-helixtrans-65.1-18.8174.100000114.3N111 F117N111-G115 PolarHBondContact O-N 3.17Å; G115-F117 VanDerWaalsContact C-N 3.34Å
116A84.1Confident84.6Confident79 Ų7960 Ų6065%0.65337%0.368SS*.THydrogen-bonded Turntrans-85.6-4.517600000113.4G112 T113 V114G112-A116 PolarHBondContact O-N 3.39Å; T113-A116 PolarHBondContact O-N 3.26Å; V114-A116 PolarHBondContact O-N 3.29Å
117F89.6Confident84.6Confident17 Ų1763 Ų638%0.07539%0.386CS..  trans-72.4137.4-179.5-63.1-21.5000111.5L109 T113 V114 G115 I119 V144 F151 T153 L158 F159L109-F117 HydrophobicContact CD1-CE2 4.08Å; L109-F117 HydrophobicContact CD1-CZ 4.08Å; T113-F117 HydrophobicContact CG2-CE1 4.18Å; T113-F117 HydrophobicContact CG2-CZ 4.12Å; T113-F117 WeakPolarHBondContact O-CD1 3.36Å; T113-F117 WeakPolarHBondContact O-CE1 3.38Å; V114-F117 HydrophobicContact CB-CD2 4.31Å; V114-F117 HydrophobicContact CB-CE2 4.16Å; V114-F117 HydrophobicContact CG1-CD2 4.01Å; V114-F117 HydrophobicContact CG1-CE2 4.14Å; V114-F117 HydrophobicContact CG2-CE2 4Å; V114-F117 WeakPolarHBondContact O-CB 3.29Å; V114-F117 WeakPolarHBondContact O-CG 2.95Å; V114-F117 PolarHBondContact O-N 3.29Å; V114-F117 VanDerWaalsContact O-N 3.16Å; G115-F117 VanDerWaalsContact C-N 3.34Å; F117-I119 VanDerWaalsContact C-N 3.28Å; F117-I119 PolarHBondContact O-N 3.25Å; F117-V144 HydrophobicContact CE2-CB 4.43Å; F117-V144 HydrophobicContact CE2-CG1 4.21Å; F117-V144 HydrophobicContact CE2-CG2 4.32Å; F117-F151 HydrophobicContact CB-CB 4.26Å; F117-F151 HydrophobicContact CD2-CB 3.56Å; F117-F151 HydrophobicContact CD2-CD1 4.17Å; F117-F151 AromaticContact CD2-CG 3.92Å; F117-F151 HydrophobicContact CD2-CG 3.92Å; F117-F151 HydrophobicContact CE2-CB 4.38Å; F117-F151 HydrophobicContact CG-CB 4.36Å; F117-T153 HydrophobicContact CD1-CG2 4.01Å; F117-T153 HydrophobicContact CE1-CG2 4.08Å; F117-T153 HydrophobicContact CG-CG2 4.3Å; F117-T153 HydrophobicContact CZ-CG2 4.41Å; F117-L158 HydrophobicContact CE1-CD1 4.39Å; F117-F159 HydrophobicContact CE1-CE2 4.36Å; F117-F159 HydrophobicContact CE1-CZ 4.17Å; F117-F159 HydrophobicContact CE2-CZ 4.3Å; F117-F159 HydrophobicContact CZ-CE2 4.19Å; F117-F159 AromaticContact CZ-CZ 3.56Å; F117-F159 HydrophobicContact CZ-CZ 3.56Å
118P87.3Confident84.5Confident58 Ų5863.8 Ų63.838%0.37739%0.394SS..SBendtrans-66.7-28.4-170.825.6-35.8000113.3L140 C152 W154P118-L140 HydrophobicContact CG-CD1 4.02Å; P118-L140 HydrophobicContact CG-CD2 4.28Å; P118-C152 WeakPolarHBondContact CD-O 3.35Å; P118-C152 VanDerWaalsContact CG-O 3.25Å; P118-C152 WeakPolarHBondContact CG-O 3.26Å; P118-W154 HydrophobicContact CB-CH2 4.23Å; P118-W154 HydrophobicContact CB-CZ3 3.82Å; P118-W154 HydrophobicContact CG-CE3 3.95Å; P118-W154 HydrophobicContact CG-CH2 4.17Å; P118-W154 HydrophobicContact CG-CZ3 3.53Å
119I90.3Very high84.5Confident48 Ų4859.4 Ų59.425%0.24638%0.376CS..EExtended strand (participates in β ladder)trans-128.9130.1179.6-57.1-66.7000109.3F117 K138 L140 F151 C152F117-I119 VanDerWaalsContact C-N 3.28Å; F117-I119 PolarHBondContact O-N 3.25Å; I119-K138 HydrophobicContact CD1-CD 4.27Å; I119-K138 HydrophobicContact CD1-CG 4.42Å; I119-K138 HydrophobicContact CG1-CB 4.36Å; I119-K138 HydrophobicContact CG1-CG 4.22Å; I119-K138 HydrophobicContact CG2-CG 4.41Å; I119-L140 HydrophobicContact CB-CD1 4.26Å; I119-L140 HydrophobicContact CG1-CD1 3.59Å; I119-F151 CarbonylContact O-C 3.55Å; I119-F151 WeakPolarHBondContact O-CA 3.48Å; I119-C152 HydrophobicContact CB-CB 3.85Å; I119-C152 HydrophobicContact CG1-CB 4.39Å; I119-C152 HydrophobicContact CG2-CB 4.28Å; I119-C152 PolarHBondContact N-O 2.9Å; I119-C152 PolarHBondContact O-N 3.47Å
120H92.4Very high84.6Confident98 Ų9860.2 Ų60.245%0.45438%0.383SS..EExtended strand (participates in β ladder)trans-128.2132.3169.4172.8-140.3000108.9V122 H149 F151H120-V122 VanDerWaalsContact NE2-CG2 3.31Å; H120-V122 WeakPolarHBondContact NE2-CG2 3.29Å; H120-H149 AromaticContact CE1-ND1 3.7Å; H120-H149 AromaticContact NE2-CG 3.91Å; H120-H149 AromaticContact NE2-ND1 3.13Å; H120-H149 PolarHBondContact NE2-ND1 2.84Å; H120-H149 VanDerWaalsContact NE2-ND1 3.13Å; H120-F151 HydrophobicContact CB-CD1 3.7Å; H120-F151 HydrophobicContact CB-CE1 3.78Å; H120-F151 AromaticContact CD2-CD1 3.6Å; H120-F151 AromaticContact CD2-CE1 3.13Å; H120-F151 WeakPolarHBondContact CD2-CE1 3.24Å; H120-F151 AromaticContact CD2-CZ 3.53Å; H120-F151 AromaticContact CG-CD1 3.77Å; H120-F151 AromaticContact CG-CE1 3.36Å; H120-F151 AromaticContact NE2-CE1 3.79Å; H120-F151 AromaticContact NE2-CZ 3.82Å
121S88.4Confident84.9Confident26 Ų2656 Ų5618%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-132.9146.3170.865.90000110.3C150S121-C150 PolarHBondContact N-O 3.32Å; S121-C150 PolarHBondContact O-N 3.12Å; S121-C150 WeakPolarHBondContact OG-CB 3.3Å
122V89.3Confident85.4Confident87 Ų8750.8 Ų50.853%0.52733%0.329SS..EExtended strand (participates in β ladder)trans-115.8123.7176.3-177.50000107.8H120 P148H120-V122 VanDerWaalsContact NE2-CG2 3.31Å; H120-V122 WeakPolarHBondContact NE2-CG2 3.29Å; V122-P148 WeakPolarHBondContact CA-O 3.38Å; V122-P148 HydrophobicContact CG1-CB 4.16Å; V122-P148 HydrophobicContact CG1-CG 4.04Å
123Q83.4Confident85.6Confident47 Ų4749 Ų4922%0.2230%0.304CS..  trans-131.9126.9-179-54.3-176.432.100110.3N125 L126 S130 P148Q123-N125 VanDerWaalsContact C-N 3.33Å; Q123-N125 PolarHBondContact O-N 3.05Å; Q123-L126 HydrophobicContact CB-CB 4.04Å; Q123-L126 HydrophobicContact CB-CD1 3.9Å; Q123-L126 HydrophobicContact CG-CD1 4.01Å; Q123-L126 WeakPolarHBondContact O-CB 3.04Å; Q123-L126 PolarHBondContact O-N 2.59Å; Q123-S130 PolarHBondContact OE1-OG 2.94Å; Q123-P148 PolarHBondContact N-O 2.96Å; Q123-P148 WeakPolarHBondContact O-CB 3.05Å
124P81.4Confident85.9Confident122 Ų12249.2 Ų49.279%0.79231%0.306SS*.THydrogen-bonded Turntrans-60.5-39.4-176.3-22.832000113.6
125N84.4Confident86.1Confident145 Ų14548.9 Ų48.978%0.77530%0.303SS*.THydrogen-bonded Turntrans-110.345.9-179.4-69.7-22.5000111.3Q123 T127Q123-N125 VanDerWaalsContact C-N 3.33Å; Q123-N125 PolarHBondContact O-N 3.05Å; N125-T127 PolarHBondContact O-N 2.79Å
126L84.9Confident86.2Confident1 Ų145.6 Ų45.61%0.00527%0.27CS..  trans-64.3123.8-174.7-171.464.6000112.2Q123 C131 L145 R147 P148 H149 C150Q123-L126 HydrophobicContact CB-CB 4.04Å; Q123-L126 HydrophobicContact CB-CD1 3.9Å; Q123-L126 HydrophobicContact CG-CD1 4.01Å; Q123-L126 WeakPolarHBondContact O-CB 3.04Å; Q123-L126 PolarHBondContact O-N 2.59Å; L126-C131 HydrophobicContact CD1-CB 4.14Å; L126-L145 HydrophobicContact CD1-CD1 4.41Å; L126-L145 HydrophobicContact CD2-CD1 3.2Å; L126-L145 HydrophobicContact CG-CD1 3.54Å; L126-R147 VanDerWaalsContact O-CZ 3.23Å; L126-R147 PolarHBondContact O-NE 3.26Å; L126-P148 WeakPolarHBondContact CD2-O 3.37Å; L126-H149 VanDerWaalsContact CD2-O 3.28Å; L126-H149 WeakPolarHBondContact CD2-O 3.47Å; L126-C150 HydrophobicContact CD1-CB 3.87Å; L126-C150 HydrophobicContact CD2-CB 3.81Å; L126-C150 HydrophobicContact CG-CB 4.48Å
127T87.1Confident86Confident63 Ų6344.2 Ų44.239%0.38725%0.251SS..  trans-106.9157.2169.4660000110.1N125 Q129 S130 C131N125-T127 PolarHBondContact O-N 2.79Å; T127-Q129 PolarHBondContact O-N 3.31Å; T127-S130 PolarHBondContact O-N 3.38Å; T127-S130 WeakPolarHBondContact OG1-CB 3.07Å; T127-S130 PolarHBondContact OG1-N 3.36Å; T127-C131 PolarHBondContact O-N 3.19Å; T127-C131 VanDerWaalsContact O-N 3.1Å
128A86.4Confident85.7Confident23 Ų2348 Ų4819%0.1927%0.268CS..Hα-helixtrans-55.4-44.9172.600000110.8S130 C131 I132 L145 Y196A128-S130 PolarHBondContact O-N 2.82Å; A128-C131 PolarHBondContact O-N 3.48Å; A128-I132 WeakPolarHBondContact O-CD1 3.37Å; A128-I132 VanDerWaalsContact O-CG1 3.27Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.2Å; A128-L145 HydrophobicContact CB-CD2 4Å; A128-Y196 HydrophobicContact CB-CD2 4.4Å; A128-Y196 HydrophobicContact CB-CE1 4.37Å; A128-Y196 HydrophobicContact CB-CE2 3.63Å
129Q84.4Confident85.3Confident59 Ų5948.7 Ų48.728%0.27627%0.266SS..Hα-helixtrans-56.3-49.9177.6-17863.517.300112.5R96 T127 C131 I132 E133R96-Q129 PolarHBondContact O-NE2 3.26Å; T127-Q129 PolarHBondContact O-N 3.31Å; Q129-C131 VanDerWaalsContact C-N 3.29Å; Q129-C131 PolarHBondContact O-N 2.95Å; Q129-I132 PolarHBondContact O-N 3.05Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.33Å; Q129-E133 PolarHBondContact NE2-OE1 3.36Å; Q129-E133 WeakPolarHBondContact O-CG 3.48Å; Q129-E133 PolarHBondContact O-N 3.35Å
130S85.8Confident84.9Confident28 Ų2846.6 Ų46.620%0.19626%0.256CS..Hα-helixtrans-63.9-35.7179.5178.40000112.4Q123 T127 A128 T134Q123-S130 PolarHBondContact OE1-OG 2.94Å; T127-S130 PolarHBondContact O-N 3.38Å; T127-S130 WeakPolarHBondContact OG1-CB 3.07Å; T127-S130 PolarHBondContact OG1-N 3.36Å; A128-S130 PolarHBondContact O-N 2.82Å; S130-T134 WeakPolarHBondContact O-CB 3.25Å; S130-T134 PolarHBondContact O-N 3.18Å; S130-T134 PolarHBondContact O-OG1 3.48Å
131C88.4Confident84.4Confident1 Ų142.1 Ų42.11%0.00724%0.235CC..Hα-helixtrans-66.5-44.2174.3-1720000111.7L126 T127 A128 Q129 E133 T134 C135 L145 C150L126-C131 HydrophobicContact CD1-CB 4.14Å; T127-C131 PolarHBondContact O-N 3.19Å; T127-C131 VanDerWaalsContact O-N 3.1Å; A128-C131 PolarHBondContact O-N 3.48Å; Q129-C131 VanDerWaalsContact C-N 3.29Å; Q129-C131 PolarHBondContact O-N 2.95Å; C131-E133 PolarHBondContact O-N 2.98Å; C131-T134 WeakPolarHBondContact O-CB 3.46Å; C131-T134 PolarHBondContact O-N 2.83Å; C131-C135 PolarHBondContact O-N 3.02Å; C131-C135 PolarHBondContact O-SG 2.87Å; C131-L145 HydrophobicContact CB-CD1 4.06Å; C131-C150 WeakPolarHBondContact CA-SG 3.02Å; C131-C150 HydrophobicContact CB-CB 3.78Å; C131-C150 WeakPolarHBondContact CB-SG 3.32Å; C131-C150 WeakPolarHBondContact SG-CB 3.42Å; C131-C150 CovalentContact SG-SG 2.04Å; C131-C150 PolarHBondContact SG-SG 2.93Å
132I85.9Confident84.3Confident2 Ų240.9 Ų40.91%0.0123%0.227CC..Hα-helixtrans-60.6-45.9175.9-68154.7000110.9F98 V101 A128 Q129 T134 C135 T136 A143 Y196 T198F98-I132 HydrophobicContact CD2-CG2 4.15Å; F98-I132 HydrophobicContact CE2-CG2 4.11Å; V101-I132 HydrophobicContact CB-CD1 4.48Å; V101-I132 HydrophobicContact CG1-CD1 3.35Å; V101-I132 HydrophobicContact CG1-CG1 4.34Å; V101-I132 HydrophobicContact CG2-CD1 4.31Å; V101-I132 HydrophobicContact CG2-CG2 3.76Å; A128-I132 WeakPolarHBondContact O-CD1 3.37Å; A128-I132 VanDerWaalsContact O-CG1 3.27Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.2Å; Q129-I132 PolarHBondContact O-N 3.05Å; I132-T134 VanDerWaalsContact C-N 3.35Å; I132-T134 PolarHBondContact O-N 3.4Å; I132-C135 PolarHBondContact O-N 3.07Å; I132-T136 VanDerWaalsContact O-CB 3.31Å; I132-T136 WeakPolarHBondContact O-CB 3.46Å; I132-T136 PolarHBondContact O-N 3.33Å; I132-T136 PolarHBondContact O-OG1 3.43Å; I132-A143 HydrophobicContact CG1-CB 4.08Å; I132-Y196 HydrophobicContact CD1-CD1 4Å; I132-Y196 HydrophobicContact CD1-CG 3.95Å; I132-Y196 HydrophobicContact CG1-CG 4.24Å; I132-T198 HydrophobicContact CG2-CG2 4.44Å
133E82.8Confident84.3Confident22 Ų2236.8 Ų36.810%0.10320%0.202CC..Hα-helixtrans-57.3-49.5175.9-72.8172.6-176.500110.6F98 Q129 C131 C135 T136 D137F98-E133 HydrophobicContact CE2-CG 3.56Å; F98-E133 HydrophobicContact CZ-CG 3.93Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.33Å; Q129-E133 PolarHBondContact NE2-OE1 3.36Å; Q129-E133 WeakPolarHBondContact O-CG 3.48Å; Q129-E133 PolarHBondContact O-N 3.35Å; C131-E133 PolarHBondContact O-N 2.98Å; E133-C135 VanDerWaalsContact C-N 3.33Å; E133-C135 PolarHBondContact O-N 2.97Å; E133-T136 WeakPolarHBondContact O-CB 3.48Å; E133-T136 PolarHBondContact O-N 3.36Å; E133-D137 WeakPolarHBondContact O-CB 3.31Å; E133-D137 PolarHBondContact O-N 2Å
134T86.2Confident84.7Confident32 Ų3234.6 Ų34.620%0.19619%0.191CC..Hα-helixtrans-56.9-46.7178-57.30000111.4S130 C131 I132 D137 K138S130-T134 WeakPolarHBondContact O-CB 3.25Å; S130-T134 PolarHBondContact O-N 3.18Å; S130-T134 PolarHBondContact O-OG1 3.48Å; C131-T134 WeakPolarHBondContact O-CB 3.46Å; C131-T134 PolarHBondContact O-N 2.83Å; I132-T134 VanDerWaalsContact C-N 3.35Å; I132-T134 PolarHBondContact O-N 3.4Å; T134-D137 PolarHBondContact O-N 2.94Å; T134-K138 VanDerWaalsContact O-CG 3.27Å; T134-K138 WeakPolarHBondContact O-CG 3.4Å; T134-K138 PolarHBondContact O-N 3.45Å; T134-K138 VanDerWaalsContact O-N 3.17Å
135C86.4Confident85.1Confident0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-71.9-32.5-179.1-59.90000113C131 I132 E133 K138 E139 L140 A143 C152 T198C131-C135 PolarHBondContact O-N 3.02Å; C131-C135 PolarHBondContact O-SG 2.87Å; I132-C135 PolarHBondContact O-N 3.07Å; E133-C135 VanDerWaalsContact C-N 3.33Å; E133-C135 PolarHBondContact O-N 2.97Å; C135-K138 CarbonylContact O-C 3.45Å; C135-K138 PolarHBondContact O-N 3.14Å; C135-E139 PolarHBondContact O-N 3.29Å; C135-L140 PolarHBondContact O-N 3.24Å; C135-A143 HydrophobicContact CB-CB 3.96Å; C135-A143 VanDerWaalsContact SG-CB 3.57Å; C135-C152 WeakPolarHBondContact CA-SG 3.36Å; C135-C152 HydrophobicContact CB-CB 3.54Å; C135-C152 WeakPolarHBondContact CB-SG 3.3Å; C135-C152 WeakPolarHBondContact SG-CA 3.31Å; C135-C152 WeakPolarHBondContact SG-CB 3.25Å; C135-C152 CovalentContact SG-SG 2.03Å; C135-C152 PolarHBondContact SG-SG 3.47Å; C135-T198 HydrophobicContact CB-CG2 3.76Å
136T80.9Confident85.3Confident0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-65.3-43.9173.1-55.60000111N53 F98 I132 E133 K138 E139 P199 V200N53-T136 PolarHBondContact ND2-O 3.09Å; F98-T136 HydrophobicContact CE1-CG2 4.22Å; F98-T136 HydrophobicContact CZ-CG2 4.49Å; I132-T136 VanDerWaalsContact O-CB 3.31Å; I132-T136 WeakPolarHBondContact O-CB 3.46Å; I132-T136 PolarHBondContact O-N 3.33Å; I132-T136 PolarHBondContact O-OG1 3.43Å; E133-T136 WeakPolarHBondContact O-CB 3.48Å; E133-T136 PolarHBondContact O-N 3.36Å; T136-K138 PolarHBondContact O-N 2.91Å; T136-E139 PolarHBondContact O-N 3.46Å; T136-P199 WeakPolarHBondContact OG1-CD 3.04Å; T136-V200 HydrophobicContact CG2-CG2 4Å
137D80.5Confident85.2Confident49 Ų4932.7 Ų32.726%0.26216%0.16SC..Hα-helixtrans-63.7-25.7175.8-74.1-20.3000112.5R96 E133 T134 E139R96-D137 IonicContact NH1-OD1 2.79Å; E133-D137 WeakPolarHBondContact O-CB 3.31Å; E133-D137 PolarHBondContact O-N 2Å; T134-D137 PolarHBondContact O-N 2.94Å; D137-E139 VanDerWaalsContact C-N 3.33Å
138K83.3Confident85.2Confident96 Ų9632.1 Ų32.142%0.41716%0.158SC..THydrogen-bonded Turntrans-89.54.5173.3-62-62.2-178.9-176.50113.7I119 T134 C135 T136 L140I119-K138 HydrophobicContact CD1-CD 4.27Å; I119-K138 HydrophobicContact CD1-CG 4.42Å; I119-K138 HydrophobicContact CG1-CB 4.36Å; I119-K138 HydrophobicContact CG1-CG 4.22Å; I119-K138 HydrophobicContact CG2-CG 4.41Å; T134-K138 VanDerWaalsContact O-CG 3.27Å; T134-K138 WeakPolarHBondContact O-CG 3.4Å; T134-K138 PolarHBondContact O-N 3.45Å; T134-K138 VanDerWaalsContact O-N 3.17Å; C135-K138 CarbonylContact O-C 3.45Å; C135-K138 PolarHBondContact O-N 3.14Å; T136-K138 PolarHBondContact O-N 2.91Å; K138-L140 VanDerWaalsContact C-N 3.26Å; K138-L140 HydrophobicContact CB-CD1 4.06Å; K138-L140 HydrophobicContact CB-CG 4.41Å; K138-L140 PolarHBondContact O-N 3.47Å
139E77.8Confident85.4Confident73 Ų7334.3 Ų34.334%0.34116%0.164SC..THydrogen-bonded Turntrans57.736.6179.9-56.6-177.2169.100113C135 T136 D137C135-E139 PolarHBondContact O-N 3.29Å; T136-E139 PolarHBondContact O-N 3.46Å; D137-E139 VanDerWaalsContact C-N 3.33Å
140L82.8Confident85.7Confident5 Ų531.5 Ų31.53%0.02615%0.151CC..  trans-109.4133.3179.8-72.3166.6000111.4P118 I119 C135 K138 L142 C152 W154 T198P118-L140 HydrophobicContact CG-CD1 4.02Å; P118-L140 HydrophobicContact CG-CD2 4.28Å; I119-L140 HydrophobicContact CB-CD1 4.26Å; I119-L140 HydrophobicContact CG1-CD1 3.59Å; C135-L140 PolarHBondContact O-N 3.24Å; K138-L140 VanDerWaalsContact C-N 3.26Å; K138-L140 HydrophobicContact CB-CD1 4.06Å; K138-L140 HydrophobicContact CB-CG 4.41Å; K138-L140 PolarHBondContact O-N 3.47Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 3.3Å; L140-C152 HydrophobicContact CB-CB 3.96Å; L140-C152 HydrophobicContact CD1-CB 3.37Å; L140-C152 HydrophobicContact CG-CB 4.3Å; L140-W154 HydrophobicContact CD2-CD2 3.63Å; L140-W154 HydrophobicContact CD2-CE3 4.09Å; L140-W154 HydrophobicContact CD2-CG 4.14Å; L140-W154 HydrophobicContact CD2-CH2 3.99Å; L140-W154 HydrophobicContact CD2-CZ2 3.51Å; L140-W154 HydrophobicContact CD2-CZ3 4.26Å; L140-T198 VanDerWaalsContact O-CG2 3.26Å; L140-T198 WeakPolarHBondContact O-CG2 3.28Å; L140-T198 PolarHBondContact O-OG1 2.77Å
141P81.6Confident86.1Confident4 Ų430.9 Ų30.93%0.02614%0.144CC..SBendtrans-75.4-18.3-172.330.2-36.2000113.9T155 H197 T198 D202P141-T155 HydrophobicContact CG-CG2 4.44Å; P141-H197 WeakPolarHBondContact O-CA 3.17Å; P141-T198 WeakPolarHBondContact CA-OG1 3.34Å; P141-T198 PolarHBondContact O-N 3.37Å; P141-T198 PolarHBondContact O-OG1 2.98Å; P141-D202 HydrophobicContact CB-CB 4.38Å
142L86.1Confident86.2Confident0 Ų030.8 Ų30.80%014%0.144CC..EExtended strand (participates in β ladder)trans-119.3137.6178.1-63.8-176.3000112.8L140 C152 T153 T155 F159 V195 Y196L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 3.3Å; L142-C152 WeakPolarHBondContact O-CA 3.5Å; L142-T153 HydrophobicContact CB-CG2 4.09Å; L142-T153 WeakPolarHBondContact CB-O 3.34Å; L142-T153 HydrophobicContact CD1-CG2 4.32Å; L142-T153 PolarHBondContact N-O 2.97Å; L142-T153 VanDerWaalsContact N-O 3.13Å; L142-T153 PolarHBondContact O-N 3.43Å; L142-T153 VanDerWaalsContact O-N 3.14Å; L142-T155 HydrophobicContact CD1-CG2 3.73Å; L142-T155 HydrophobicContact CD2-CG2 3.85Å; L142-T155 HydrophobicContact CG-CG2 3.62Å; L142-F159 HydrophobicContact CD1-CD2 3.8Å; L142-F159 HydrophobicContact CD1-CE2 3.93Å; L142-F159 HydrophobicContact CD1-CG 4.49Å; L142-V195 HydrophobicContact CD1-CG1 4.47Å; L142-V195 HydrophobicContact CD2-CG1 4.2Å; L142-Y196 WeakPolarHBondContact CA-O 3.35Å
143A89.5Confident86.2Confident1 Ų131.1 Ų31.11%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-112.5124.1165.900000109.4I132 C135 V195 Y196 T198I132-A143 HydrophobicContact CG1-CB 4.08Å; C135-A143 HydrophobicContact CB-CB 3.96Å; C135-A143 VanDerWaalsContact SG-CB 3.57Å; A143-V195 WeakPolarHBondContact O-CA 3.38Å; A143-Y196 PolarHBondContact N-O 2.98Å; A143-Y196 PolarHBondContact O-N 3.45Å; A143-T198 HydrophobicContact CB-CG2 4.12Å
144V90.8Very high86.2Confident0 Ų036.5 Ų36.50%017%0.165CC..EExtended strand (participates in β ladder)trans-117.8120.2-176.3-177.50000108.4L109 F117 F151 T153 F159 Y193 V195L109-V144 HydrophobicContact CD1-CG1 3.77Å; F117-V144 HydrophobicContact CE2-CB 4.43Å; F117-V144 HydrophobicContact CE2-CG1 4.21Å; F117-V144 HydrophobicContact CE2-CG2 4.32Å; V144-F151 HydrophobicContact CB-CB 4.19Å; V144-F151 PolarHBondContact N-O 3.03Å; V144-F151 PolarHBondContact O-N 2.88Å; V144-T153 HydrophobicContact CG2-CG2 4.07Å; V144-F159 HydrophobicContact CG2-CE1 4.27Å; V144-F159 HydrophobicContact CG2-CZ 3.83Å; V144-Y193 HydrophobicContact CG1-CD1 3.95Å; V144-Y193 HydrophobicContact CG1-CG 3.99Å; V144-V195 HydrophobicContact CG1-CG2 4.26Å; V144-V195 HydrophobicContact CG2-CG1 4.44Å; V144-V195 HydrophobicContact CG2-CG2 4.24Å
145L89.9Confident85.5Confident15 Ų1535.3 Ų35.38%0.07916%0.158CC..EExtended strand (participates in β ladder)trans-120.5128.5-16517975000111.3L126 A128 C131 Y193 L194 Y196L126-L145 HydrophobicContact CD1-CD1 4.41Å; L126-L145 HydrophobicContact CD2-CD1 3.2Å; L126-L145 HydrophobicContact CG-CD1 3.54Å; A128-L145 HydrophobicContact CB-CD2 4Å; C131-L145 HydrophobicContact CB-CD1 4.06Å; L145-Y193 WeakPolarHBondContact O-CA 3.43Å; L145-L194 HydrophobicContact CB-CB 4.35Å; L145-L194 HydrophobicContact CD2-CD2 4.44Å; L145-L194 PolarHBondContact N-O 3.25Å; L145-L194 PolarHBondContact O-N 3.42Å; L145-Y196 HydrophobicContact CD2-CE2 4.27Å
146K88.6Confident84.5Confident60 Ų6036.8 Ų36.826%0.26117%0.169SC..EExtended strand (participates in β ladder)trans-148.5105.2161.9175.5-178.3175.2-177.90107.8H149 S190 Y193K146-H149 CarbonylContact C-O 3.45Å; K146-H149 PolarHBondContact N-O 3.29Å; K146-H149 CarbonylContact O-C 3.57Å; K146-H149 VanDerWaalsContact O-CA 3.29Å; K146-H149 WeakPolarHBondContact O-CA 3.41Å; K146-H149 VanDerWaalsContact O-CB 3.28Å; K146-H149 WeakPolarHBondContact O-CB 3.28Å; K146-H149 PolarHBondContact O-N 2.98Å; K146-H149 VanDerWaalsContact O-O 3.04Å; K146-S190 WeakPolarHBondContact CE-O 3.33Å; K146-S190 PolarHBondContact NZ-O 3.19Å; K146-Y193 HydrophobicContact CB-CD1 3.35Å; K146-Y193 HydrophobicContact CB-CE1 3.48Å; K146-Y193 VanDerWaalsContact CB-CE1 3.48Å; K146-Y193 HydrophobicContact CB-CG 4.19Å; K146-Y193 HydrophobicContact CD-CD1 4.21Å; K146-Y193 HydrophobicContact CD-CE1 3.71Å; K146-Y193 HydrophobicContact CD-CE2 4.37Å; K146-Y193 HydrophobicContact CG-CD1 4.4Å; K146-Y193 HydrophobicContact CG-CE1 4.23Å
147R82.9Confident83.5Confident153 Ų15341.8 Ų41.858%0.57720%0.203SC*.THydrogen-bonded Turntrans-51.6135.9-173-66.6-173.8-176.2-1501111.8L126L126-R147 VanDerWaalsContact O-CZ 3.23Å; L126-R147 PolarHBondContact O-NE 3.26Å
148P87.6Confident82.6Confident52 Ų5243 Ų4334%0.33821%0.21SC..THydrogen-bonded Turncis-8715.5-1.235.6-37.8000115.1V122 Q123 L126V122-P148 WeakPolarHBondContact CA-O 3.38Å; V122-P148 HydrophobicContact CG1-CB 4.16Å; V122-P148 HydrophobicContact CG1-CG 4.04Å; Q123-P148 PolarHBondContact N-O 2.96Å; Q123-P148 WeakPolarHBondContact O-CB 3.05Å; L126-P148 WeakPolarHBondContact CD2-O 3.37Å
149H90.2Very high81.8Confident69 Ų6938.6 Ų38.632%0.31919%0.19SC..EExtended strand (participates in β ladder)trans-96.3131.7-173.2-52.5-101.9000112.7H120 L126 K146 F151H120-H149 AromaticContact CE1-ND1 3.7Å; H120-H149 AromaticContact NE2-CG 3.91Å; H120-H149 AromaticContact NE2-ND1 3.13Å; H120-H149 PolarHBondContact NE2-ND1 2.84Å; H120-H149 VanDerWaalsContact NE2-ND1 3.13Å; L126-H149 VanDerWaalsContact CD2-O 3.28Å; L126-H149 WeakPolarHBondContact CD2-O 3.47Å; K146-H149 CarbonylContact C-O 3.45Å; K146-H149 PolarHBondContact N-O 3.29Å; K146-H149 CarbonylContact O-C 3.57Å; K146-H149 VanDerWaalsContact O-CA 3.29Å; K146-H149 WeakPolarHBondContact O-CA 3.41Å; K146-H149 VanDerWaalsContact O-CB 3.28Å; K146-H149 WeakPolarHBondContact O-CB 3.28Å; K146-H149 PolarHBondContact O-N 2.98Å; K146-H149 VanDerWaalsContact O-O 3.04Å; H149-F151 HydrophobicContact CB-CD2 4.34Å; H149-F151 HydrophobicContact CB-CE2 3.42Å; H149-F151 VanDerWaalsContact CB-CE2 3.42Å; H149-F151 HydrophobicContact CB-CZ 3.72Å
150C92.5Very high81.2Confident0 Ų037.5 Ų37.50%019%0.187CC..EExtended strand (participates in β ladder)trans-118.2128.6168.8172.90000108.9S121 L126 C131S121-C150 PolarHBondContact N-O 3.32Å; S121-C150 PolarHBondContact O-N 3.12Å; S121-C150 WeakPolarHBondContact OG-CB 3.3Å; L126-C150 HydrophobicContact CD1-CB 3.87Å; L126-C150 HydrophobicContact CD2-CB 3.81Å; L126-C150 HydrophobicContact CG-CB 4.48Å; C131-C150 WeakPolarHBondContact CA-SG 3.02Å; C131-C150 HydrophobicContact CB-CB 3.78Å; C131-C150 WeakPolarHBondContact CB-SG 3.32Å; C131-C150 WeakPolarHBondContact SG-CB 3.42Å; C131-C150 CovalentContact SG-SG 2.04Å; C131-C150 PolarHBondContact SG-SG 2.93Å
151F92.5Very high80.1Confident14 Ų1439.6 Ų39.66%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-119.7143.8174-50.7-95.2000109.9V114 F117 I119 H120 V144 H149 Y193V114-F151 HydrophobicContact CG1-CD1 3.58Å; V114-F151 HydrophobicContact CG1-CD2 3.81Å; V114-F151 HydrophobicContact CG1-CE1 3.25Å; V114-F151 HydrophobicContact CG1-CE2 3.5Å; V114-F151 HydrophobicContact CG1-CG 3.86Å; V114-F151 HydrophobicContact CG1-CZ 3.22Å; F117-F151 HydrophobicContact CB-CB 4.26Å; F117-F151 HydrophobicContact CD2-CB 3.56Å; F117-F151 HydrophobicContact CD2-CD1 4.17Å; F117-F151 AromaticContact CD2-CG 3.92Å; F117-F151 HydrophobicContact CD2-CG 3.92Å; F117-F151 HydrophobicContact CE2-CB 4.38Å; F117-F151 HydrophobicContact CG-CB 4.36Å; I119-F151 CarbonylContact O-C 3.55Å; I119-F151 WeakPolarHBondContact O-CA 3.48Å; H120-F151 HydrophobicContact CB-CD1 3.7Å; H120-F151 HydrophobicContact CB-CE1 3.78Å; H120-F151 AromaticContact CD2-CD1 3.6Å; H120-F151 AromaticContact CD2-CE1 3.13Å; H120-F151 WeakPolarHBondContact CD2-CE1 3.24Å; H120-F151 AromaticContact CD2-CZ 3.53Å; H120-F151 AromaticContact CG-CD1 3.77Å; H120-F151 AromaticContact CG-CE1 3.36Å; H120-F151 AromaticContact NE2-CE1 3.79Å; H120-F151 AromaticContact NE2-CZ 3.82Å; V144-F151 HydrophobicContact CB-CB 4.19Å; V144-F151 PolarHBondContact N-O 3.03Å; V144-F151 PolarHBondContact O-N 2.88Å; H149-F151 HydrophobicContact CB-CD2 4.34Å; H149-F151 HydrophobicContact CB-CE2 3.42Å; H149-F151 VanDerWaalsContact CB-CE2 3.42Å; H149-F151 HydrophobicContact CB-CZ 3.72Å; F151-Y193 HydrophobicContact CD2-CE1 4.36Å; F151-Y193 HydrophobicContact CE2-CD1 4.4Å; F151-Y193 AromaticContact CE2-CE1 3.83Å; F151-Y193 HydrophobicContact CE2-CE1 3.83Å
152C90.5Very high79Confident0 Ų045.6 Ų45.60%023%0.23CC..EExtended strand (participates in β ladder)trans-119137.6174-43.50000108.5P118 I119 C135 L140 L142P118-C152 WeakPolarHBondContact CD-O 3.35Å; P118-C152 VanDerWaalsContact CG-O 3.25Å; P118-C152 WeakPolarHBondContact CG-O 3.26Å; I119-C152 HydrophobicContact CB-CB 3.85Å; I119-C152 HydrophobicContact CG1-CB 4.39Å; I119-C152 HydrophobicContact CG2-CB 4.28Å; I119-C152 PolarHBondContact N-O 2.9Å; I119-C152 PolarHBondContact O-N 3.47Å; C135-C152 WeakPolarHBondContact CA-SG 3.36Å; C135-C152 HydrophobicContact CB-CB 3.54Å; C135-C152 WeakPolarHBondContact CB-SG 3.3Å; C135-C152 WeakPolarHBondContact SG-CA 3.31Å; C135-C152 WeakPolarHBondContact SG-CB 3.25Å; C135-C152 CovalentContact SG-SG 2.03Å; C135-C152 PolarHBondContact SG-SG 3.47Å; L140-C152 HydrophobicContact CB-CB 3.96Å; L140-C152 HydrophobicContact CD1-CB 3.37Å; L140-C152 HydrophobicContact CG-CB 4.3Å; L142-C152 WeakPolarHBondContact O-CA 3.5Å
153T87.6Confident78.1Confident9 Ų951.7 Ų51.76%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-154.5169.1-176.8-168.60000111.3F117 L142 V144 F159F117-T153 HydrophobicContact CD1-CG2 4.01Å; F117-T153 HydrophobicContact CE1-CG2 4.08Å; F117-T153 HydrophobicContact CG-CG2 4.3Å; F117-T153 HydrophobicContact CZ-CG2 4.41Å; L142-T153 HydrophobicContact CB-CG2 4.09Å; L142-T153 WeakPolarHBondContact CB-O 3.34Å; L142-T153 HydrophobicContact CD1-CG2 4.32Å; L142-T153 PolarHBondContact N-O 2.97Å; L142-T153 VanDerWaalsContact N-O 3.13Å; L142-T153 PolarHBondContact O-N 3.43Å; L142-T153 VanDerWaalsContact O-N 3.14Å; V144-T153 HydrophobicContact CG2-CG2 4.07Å; T153-F159 HydrophobicContact CG2-CE2 3.97Å; T153-F159 HydrophobicContact CG2-CZ 4.3Å
154W81.2Confident77.4Confident134 Ų13456 Ų5651%0.50828%0.278SS..  trans-79.3154164-61.2-86000109.7P118 L140 S156P118-W154 HydrophobicContact CB-CH2 4.23Å; P118-W154 HydrophobicContact CB-CZ3 3.82Å; P118-W154 HydrophobicContact CG-CE3 3.95Å; P118-W154 HydrophobicContact CG-CH2 4.17Å; P118-W154 HydrophobicContact CG-CZ3 3.53Å; L140-W154 HydrophobicContact CD2-CD2 3.63Å; L140-W154 HydrophobicContact CD2-CE3 4.09Å; L140-W154 HydrophobicContact CD2-CG 4.14Å; L140-W154 HydrophobicContact CD2-CH2 3.99Å; L140-W154 HydrophobicContact CD2-CZ2 3.51Å; L140-W154 HydrophobicContact CD2-CZ3 4.26Å; W154-S156 PolarHBondContact O-N 2.91Å
155T72.3Confident76.8Confident8 Ų857.4 Ų57.45%0.04929%0.288CS..  trans-56.8107.3163.649.80000110.4P141 L142 D202 R204P141-T155 HydrophobicContact CG-CG2 4.44Å; L142-T155 HydrophobicContact CD1-CG2 3.73Å; L142-T155 HydrophobicContact CD2-CG2 3.85Å; L142-T155 HydrophobicContact CG-CG2 3.62Å; T155-D202 VanDerWaalsContact CG2-OD2 3.3Å; T155-D202 WeakPolarHBondContact CG2-OD2 3.29Å; T155-D202 PolarHBondContact OG1-OD2 3.4Å; T155-R204 VanDerWaalsContact CB-NH1 3.33Å; T155-R204 VanDerWaalsContact CG2-NH2 3.27Å; T155-R204 PolarHBondContact OG1-NE 3.48Å; T155-R204 PolarHBondContact OG1-NH1 3.48Å; T155-R204 PolarHBondContact OG1-NH2 3.3Å
156S64.5Low76.1Confident31 Ų3161.4 Ų61.422%0.21731%0.31CS..  trans-106.3167.6171.553.10000109.7W154 L158 F159W154-S156 PolarHBondContact O-N 2.91Å; S156-L158 PolarHBondContact O-N 2.99Å; S156-L158 VanDerWaalsContact OG-CB 3.27Å; S156-L158 WeakPolarHBondContact OG-CB 3.36Å; S156-L158 WeakPolarHBondContact OG-CD1 3.38Å; S156-L158 WeakPolarHBondContact OG-CG 3.46Å; S156-F159 PolarHBondContact O-N 3.23Å
157S60.7Low75.4Confident104 Ų10463.3 Ų63.373%0.72732%0.319SS*.THydrogen-bonded Turntrans-56.4-9.8167.953.90000114F159S157-F159 PolarHBondContact O-N 3.42Å
158L62.7Low75Confident76 Ų7662.2 Ų62.240%0.39832%0.321SS..THydrogen-bonded Turntrans-68.1-14.9178.7-57.7166000113.4T113 F117 S156T113-L158 HydrophobicContact CG2-CB 4.2Å; T113-L158 HydrophobicContact CG2-CD1 3.45Å; T113-L158 VanDerWaalsContact CG2-CD1 3.45Å; T113-L158 HydrophobicContact CG2-CD2 3.91Å; T113-L158 HydrophobicContact CG2-CG 4.05Å; F117-L158 HydrophobicContact CE1-CD1 4.39Å; S156-L158 PolarHBondContact O-N 2.99Å; S156-L158 VanDerWaalsContact OG-CB 3.27Å; S156-L158 WeakPolarHBondContact OG-CB 3.36Å; S156-L158 WeakPolarHBondContact OG-CD1 3.38Å; S156-L158 WeakPolarHBondContact OG-CG 3.46Å
159F66Low74.4Confident2 Ų266.9 Ų66.91%0.00933%0.332CS..SBendtrans-118.563.2-178.7-55.5-77.6000111R104 F107 L109 F117 L142 V144 T153 S156 S157 V195R104-F159 PolarHBondContact NH2-O 3.43Å; F107-F159 HydrophobicContact CB-CD1 4.36Å; F107-F159 HydrophobicContact CG-CD1 4.26Å; L109-F159 HydrophobicContact CD1-CE1 3.69Å; L109-F159 HydrophobicContact CD1-CZ 4.11Å; L109-F159 HydrophobicContact CD2-CD1 4.03Å; L109-F159 HydrophobicContact CD2-CE1 3.53Å; L109-F159 HydrophobicContact CD2-CZ 4.22Å; L109-F159 HydrophobicContact CG-CE1 4.18Å; F117-F159 HydrophobicContact CE1-CE2 4.36Å; F117-F159 HydrophobicContact CE1-CZ 4.17Å; F117-F159 HydrophobicContact CE2-CZ 4.3Å; F117-F159 HydrophobicContact CZ-CE2 4.19Å; F117-F159 AromaticContact CZ-CZ 3.56Å; F117-F159 HydrophobicContact CZ-CZ 3.56Å; L142-F159 HydrophobicContact CD1-CD2 3.8Å; L142-F159 HydrophobicContact CD1-CE2 3.93Å; L142-F159 HydrophobicContact CD1-CG 4.49Å; V144-F159 HydrophobicContact CG2-CE1 4.27Å; V144-F159 HydrophobicContact CG2-CZ 3.83Å; T153-F159 HydrophobicContact CG2-CE2 3.97Å; T153-F159 HydrophobicContact CG2-CZ 4.3Å; S156-F159 PolarHBondContact O-N 3.23Å; S157-F159 PolarHBondContact O-N 3.42Å; F159-V195 HydrophobicContact CD1-CG2 3.98Å; F159-V195 HydrophobicContact CE1-CG2 3.77Å
160D63.8Low73.7Confident51 Ų5164.9 Ų64.927%0.27333%0.325SS..  trans-66132.5175.9-169.1-26.9000110.5F107 N162 Q163F107-D160 WeakPolarHBondContact CE1-O 3.27Å; D160-N162 PolarHBondContact O-N 2.91Å; D160-N162 VanDerWaalsContact O-N 3.14Å; D160-N162 PolarHBondContact OD1-N 2.87Å; D160-N162 PolarHBondContact OD1-ND2 3.07Å; D160-Q163 HydrophobicContact CB-CB 4.37Å; D160-Q163 HydrophobicContact CB-CG 4.08Å; D160-Q163 PolarHBondContact O-N 3.36Å
161I59.8Low72.5Confident49 Ų4968.1 Ų68.125%0.25135%0.352SS..G310 helixtrans-58.7-24.9177.9-158.7164.6000112.4Q163 L363 L383 Q386I161-Q163 VanDerWaalsContact C-N 3.34Å; I161-L363 HydrophobicContact CD1-CD1 3.72Å; I161-L383 HydrophobicContact CB-CD2 4.22Å; I161-L383 HydrophobicContact CD1-CD2 4.17Å; I161-Q386 VanDerWaalsContact CD1-OE1 3.32Å
162N59.3Low70.7Confident130 Ų13073 Ų7370%0.69538%0.378SS*.G310 helixtrans-84.5-6.9179.9-57.6-54.7000113.6D160D160-N162 PolarHBondContact O-N 2.91Å; D160-N162 VanDerWaalsContact O-N 3.14Å; D160-N162 PolarHBondContact OD1-N 2.87Å; D160-N162 PolarHBondContact OD1-ND2 3.07Å
163Q67.3Low68.8Low127 Ų12776 Ų7659%0.59341%0.41SS*.G310 helixtrans-105.818-178.3-66.8-174.30.800113.2D160 I161 S165D160-Q163 HydrophobicContact CB-CB 4.37Å; D160-Q163 HydrophobicContact CB-CG 4.08Å; D160-Q163 PolarHBondContact O-N 3.36Å; I161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-S165 PolarHBondContact O-N 3.1Å
164Q73.9Confident66.7Low91 Ų9177.9 Ų77.943%0.42543%0.431SS..PPolyproline II helixtrans-62.8125.1175.6-174.1173.5-9.900110.1F107F107-Q164 HydrophobicContact CE1-CB 4.21Å; F107-Q164 HydrophobicContact CZ-CB 4.36Å
165S78Confident64.3Low31 Ų3176 Ų7622%0.21744%0.444CS..BIsolated β-bridgetrans-85.4162.6171.3-55.90000110.1C106 Q163 E167C106-S165 PolarHBondContact O-N 3.18Å; Q163-S165 PolarHBondContact O-N 3.1Å; S165-E167 PolarHBondContact O-N 3.01Å
166D75.8Confident62.7Low99 Ų9980.2 Ų80.253%0.52947%0.472SS..PPolyproline II helixtrans-58132.7174.1-177.3-21.4000110.1Q168 W169D166-Q168 PolarHBondContact O-N 3.4Å; D166-Q168 VanDerWaalsContact O-N 3.08Å; D166-Q168 PolarHBondContact OD1-N 2.81Å; D166-Q168 VanDerWaalsContact OD1-N 3.1Å; D166-W169 WeakPolarHBondContact O-CB 3.43Å; D166-W169 VanDerWaalsContact O-CD1 3.32Å; D166-W169 PolarHBondContact O-N 3.39Å; D166-W169 VanDerWaalsContact O-N 3.09Å
167E74.5Confident61.2Low99 Ų9987.2 Ų87.246%0.46351%0.506SS..THydrogen-bonded Turntrans-57.4-26.7-175-64.6-163.914400112.6Q103 S165 W169 C170 A171Q103-E167 PolarHBondContact NE2-OE1 3.47Å; S165-E167 PolarHBondContact O-N 3.01Å; E167-W169 PolarHBondContact O-N 3.08Å; E167-C170 PolarHBondContact O-N 3.3Å; E167-A171 PolarHBondContact O-N 2.8Å; E167-A171 VanDerWaalsContact O-N 3.11Å
168Q75Confident60.1Low130 Ų13092.1 Ų92.161%0.60751%0.509SS*.Hα-helixtrans-61.5-27.8-179.9-154.215333.500112.7D166 C170 A171 D172D166-Q168 PolarHBondContact O-N 3.4Å; D166-Q168 VanDerWaalsContact O-N 3.08Å; D166-Q168 PolarHBondContact OD1-N 2.81Å; D166-Q168 VanDerWaalsContact OD1-N 3.1Å; Q168-C170 VanDerWaalsContact C-N 3.27Å; Q168-C170 PolarHBondContact O-N 3.22Å; Q168-A171 PolarHBondContact O-N 3.03Å; Q168-D172 PolarHBondContact O-N 2.84Å
169W74.4Confident58.9Low151 Ų15196.1 Ų96.157%0.57254%0.537SS*.Hα-helixtrans-71.3-22.1177.3-65.971.8000113.4D166 E167 H192D166-W169 WeakPolarHBondContact O-CB 3.43Å; D166-W169 VanDerWaalsContact O-CD1 3.32Å; D166-W169 PolarHBondContact O-N 3.39Å; D166-W169 VanDerWaalsContact O-N 3.09Å; E167-W169 PolarHBondContact O-N 3.08Å; W169-H192 HydrophobicContact CB-CB 4.34Å; W169-H192 AromaticContact CE3-CE1 3.39Å; W169-H192 AromaticContact CE3-ND1 3.84Å; W169-H192 AromaticContact CE3-NE2 3.98Å
170C76.1Confident57.4Low27 Ų2799.9 Ų99.918%0.18257%0.568CS.*Hα-helixtrans-97.2-13.5173-72.70000112.7C106 E167 Q168 Y193 L194C106-C170 WeakPolarHBondContact CA-SG 3.26Å; C106-C170 HydrophobicContact CB-CB 3.7Å; C106-C170 WeakPolarHBondContact CB-SG 3.29Å; C106-C170 WeakPolarHBondContact SG-CB 3.42Å; C106-C170 PolarHBondContact SG-N 3.32Å; C106-C170 VanDerWaalsContact SG-N 3.38Å; C106-C170 CovalentContact SG-SG 2.02Å; C106-C170 PolarHBondContact SG-SG 3.2Å; E167-C170 PolarHBondContact O-N 3.3Å; Q168-C170 VanDerWaalsContact C-N 3.27Å; Q168-C170 PolarHBondContact O-N 3.22Å; C170-Y193 PolarHBondContact SG-O 3.3Å; C170-Y193 VanDerWaalsContact SG-O 3.33Å; C170-L194 HydrophobicContact CB-CB 4.27Å; C170-L194 HydrophobicContact CB-CD1 4.27Å
171A67.6Low55.8Low67 Ų67103.8 Ų103.855%0.55459%0.594SS**Hα-helixtrans-78.2-25.9178.300000113.1E167 Q168 G173E167-A171 PolarHBondContact O-N 2.8Å; E167-A171 VanDerWaalsContact O-N 3.11Å; Q168-A171 PolarHBondContact O-N 3.03Å; A171-G173 PolarHBondContact O-N 3.24Å
172D54.1Low54.8Low116 Ų116107.8 Ų107.862%0.6262%0.623SS**THydrogen-bonded Turntrans-71.330.6-179.6-91.9-9.2000114.8Q168Q168-D172 PolarHBondContact O-N 2.84Å
173G50.6Low53.6Low65 Ų65106 Ų10667%0.6763%0.626SS**THydrogen-bonded Turntrans-82.70.5158.100000113.4A171A171-G173 PolarHBondContact O-N 3.24Å
174G43.3Very low51.9Low47 Ų47105.1 Ų105.149%0.48564%0.635SS.*SBendtrans-116.2128.6166.800000109.3
175A31Very low49.9Very low95 Ų95106.8 Ų106.879%0.78565%0.651SS**  trans-45.3144.7-170.800000115.3N177A175-N177 PolarHBondContact O-N 3.36Å
176P38.5Very low47.7Very low97 Ų97109.6 Ų109.663%0.6368%0.676SS**  trans-75.9112.6173.930.2-29.9000109.6R178P176-R178 PolarHBondContact O-N 3.32Å
177N33.3Very low45.8Very low177 Ų177110.5 Ų110.595%0.94769%0.687SS**  trans-75.565.6150.5-96.7-5.8000108.5A175A175-N177 PolarHBondContact O-N 3.36Å
178R37.2Very low44.2Very low208 Ų208111.3 Ų111.379%0.78570%0.701SS**  trans-113.6108.8159.8-78.3-170.4177-170.51.7107.2P176 A180P176-R178 PolarHBondContact O-N 3.32Å; R178-A180 PolarHBondContact O-N 3.13Å
179T37.3Very low43.2Very low159 Ų159112.9 Ų112.998%0.97571%0.709SS**  trans-5687.3157.7300000108.5
180A34.1Very low42.5Very low82 Ų82108 Ų10868%0.67870%0.698SS**  trans-120.1123.1170.900000108.4R178R178-A180 PolarHBondContact O-N 3.13Å
181T30.3Very low42.5Very low132 Ų132107.4 Ų107.481%0.8170%0.695SS**  trans-47150.7175.631.30000114A183T181-A183 PolarHBondContact O-N 2.81Å; T181-A183 VanDerWaalsContact O-N 3.1Å
182P39.2Very low43.4Very low133 Ų133105 Ų10586%0.86467%0.673SS**SBendtrans-81.695-173.732.8-31.6000110.8
183A34.3Very low45Very low92 Ų92100.1 Ų100.176%0.7665%0.646SS**  trans-155.6131.9157.900000110.5T181T181-A183 PolarHBondContact O-N 2.81Å; T181-A183 VanDerWaalsContact O-N 3.1Å
184S30.6Very low46.9Very low110 Ų11098.3 Ų98.377%0.76962%0.621SS**SBendtrans90.4108.2172.4-149.30000116.7
185T33.2Very low49Very low126 Ų12696.1 Ų96.177%0.77360%0.598SS**  trans42.1124.1140.449.40000118.8
186A30.9Very low51.6Low89 Ų8993 Ų9374%0.73657%0.566SS**  trans-27.7138.3173.500000114.8
187P35.3Very low53.6Low119 Ų11989.2 Ų89.277%0.77354%0.54SS*.  trans-59131.4176.89-3.6000108.1E189P187-E189 PolarHBondContact O-N 3.06Å
188P41.5Very low55.8Low116 Ų11681.1 Ų81.175%0.75350%0.497SS*.  trans-57.9129177.325.4-32.2000107.1S190P188-S190 VanDerWaalsContact C-N 3.34Å; P188-S190 PolarHBondContact O-N 3.2Å
189E53.6Low57.3Low163 Ų16372.7 Ų72.776%0.76247%0.469SS*.  trans-46.8103.5172.3-74.1-173.515600108P187 G191P187-E189 PolarHBondContact O-N 3.06Å; E189-G191 PolarHBondContact O-N 3.46Å
190S59.9Low58.9Low49 Ų4965.6 Ų65.634%0.34343%0.425SS..  trans-71.1104.9-169.754.60000106.5K146 P188 H192K146-S190 WeakPolarHBondContact CE-O 3.33Å; K146-S190 PolarHBondContact NZ-O 3.19Å; P188-S190 VanDerWaalsContact C-N 3.34Å; P188-S190 PolarHBondContact O-N 3.2Å; S190-H192 PolarHBondContact O-N 2.78Å
191G77.1Confident60.4Low13 Ų1363.8 Ų63.813%0.13440%0.404CS..  trans-67.427.3175.900000112.8K108 L109 E189 Y193K108-G191 CarbonylContact C-O 3.54Å; K108-G191 VanDerWaalsContact CA-O 3.29Å; K108-G191 WeakPolarHBondContact CA-O 3.35Å; L109-G191 PolarHBondContact N-O 2.96Å; L109-G191 VanDerWaalsContact O-O 3.11Å; E189-G191 PolarHBondContact O-N 3.46Å; G191-Y193 VanDerWaalsContact O-CD2 3.27Å; G191-Y193 WeakPolarHBondContact O-CD2 3.46Å; G191-Y193 WeakPolarHBondContact O-CE2 3.21Å
192H87Confident62.1Low17 Ų1757.9 Ų57.98%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-97.7133.4-176.2-6691.6000110F107 W169 S190F107-H192 CarbonylContact O-C 3.51Å; F107-H192 WeakPolarHBondContact O-CA 3.38Å; W169-H192 HydrophobicContact CB-CB 4.34Å; W169-H192 AromaticContact CE3-CE1 3.39Å; W169-H192 AromaticContact CE3-ND1 3.84Å; W169-H192 AromaticContact CE3-NE2 3.98Å; S190-H192 PolarHBondContact O-N 2.78Å
193Y87.5Confident63.4Low13 Ų1354.4 Ų54.45%0.05135%0.347CS..EExtended strand (participates in β ladder)trans-132.2138.5-176.2-63.3-100.8000109.8F107 L109 V114 V144 L145 K146 F151 C170 G191F107-Y193 PolarHBondContact N-O 3.33Å; F107-Y193 PolarHBondContact O-N 2.75Å; L109-Y193 HydrophobicContact CB-CD2 3.68Å; L109-Y193 HydrophobicContact CB-CE2 3.86Å; L109-Y193 HydrophobicContact CD1-CD2 3.6Å; L109-Y193 HydrophobicContact CD1-CE2 4.34Å; L109-Y193 HydrophobicContact CD1-CG 3.74Å; L109-Y193 HydrophobicContact CG-CD2 3.78Å; L109-Y193 HydrophobicContact CG-CE2 4.46Å; L109-Y193 HydrophobicContact CG-CG 4.37Å; V114-Y193 HydrophobicContact CG1-CE1 4.33Å; V114-Y193 HydrophobicContact CG2-CD2 4.45Å; V114-Y193 HydrophobicContact CG2-CE1 4.2Å; V114-Y193 HydrophobicContact CG2-CE2 3.84Å; V144-Y193 HydrophobicContact CG1-CD1 3.95Å; V144-Y193 HydrophobicContact CG1-CG 3.99Å; L145-Y193 WeakPolarHBondContact O-CA 3.43Å; K146-Y193 HydrophobicContact CB-CD1 3.35Å; K146-Y193 HydrophobicContact CB-CE1 3.48Å; K146-Y193 VanDerWaalsContact CB-CE1 3.48Å; K146-Y193 HydrophobicContact CB-CG 4.19Å; K146-Y193 HydrophobicContact CD-CD1 4.21Å; K146-Y193 HydrophobicContact CD-CE1 3.71Å; K146-Y193 HydrophobicContact CD-CE2 4.37Å; K146-Y193 HydrophobicContact CG-CD1 4.4Å; K146-Y193 HydrophobicContact CG-CE1 4.23Å; F151-Y193 HydrophobicContact CD2-CE1 4.36Å; F151-Y193 HydrophobicContact CE2-CD1 4.4Å; F151-Y193 AromaticContact CE2-CE1 3.83Å; F151-Y193 HydrophobicContact CE2-CE1 3.83Å; C170-Y193 PolarHBondContact SG-O 3.3Å; C170-Y193 VanDerWaalsContact SG-O 3.33Å; G191-Y193 VanDerWaalsContact O-CD2 3.27Å; G191-Y193 WeakPolarHBondContact O-CD2 3.46Å; G191-Y193 WeakPolarHBondContact O-CE2 3.21Å
194L89.1Confident65Low28 Ų2851.4 Ų51.415%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-85.9126175.3-167.461.1000109Q103 L145 C170 Y196Q103-L194 HydrophobicContact CG-CD1 4.17Å; L145-L194 HydrophobicContact CB-CB 4.35Å; L145-L194 HydrophobicContact CD2-CD2 4.44Å; L145-L194 PolarHBondContact N-O 3.25Å; L145-L194 PolarHBondContact O-N 3.42Å; C170-L194 HydrophobicContact CB-CB 4.27Å; C170-L194 HydrophobicContact CB-CD1 4.27Å; L194-Y196 HydrophobicContact CB-CE2 4.32Å; L194-Y196 HydrophobicContact CD2-CE2 3.56Å; L194-Y196 WeakPolarHBondContact CD2-OH 3.35Å; L194-Y196 HydrophobicContact CG-CD2 4.38Å; L194-Y196 HydrophobicContact CG-CE2 3.56Å
195V88.3Confident66.9Low0 Ų046.2 Ų46.20%028%0.279CS..EExtended strand (participates in β ladder)trans-111.9130.4-174.6-177.70000110.1R104 G105 F107 L142 A143 V144 F159R104-V195 HydrophobicContact CB-CB 4.31Å; R104-V195 HydrophobicContact CB-CG1 4.25Å; R104-V195 WeakPolarHBondContact CB-O 3.42Å; R104-V195 PolarHBondContact N-O 3.27Å; G105-V195 PolarHBondContact O-N 2.88Å; F107-V195 HydrophobicContact CB-CG2 4.41Å; F107-V195 HydrophobicContact CD2-CB 3.83Å; F107-V195 HydrophobicContact CD2-CG2 3.5Å; F107-V195 VanDerWaalsContact CD2-CG2 3.5Å; F107-V195 HydrophobicContact CE2-CB 4.04Å; F107-V195 HydrophobicContact CE2-CG2 4.21Å; F107-V195 HydrophobicContact CG-CG2 4.29Å; L142-V195 HydrophobicContact CD1-CG1 4.47Å; L142-V195 HydrophobicContact CD2-CG1 4.2Å; A143-V195 WeakPolarHBondContact O-CA 3.38Å; V144-V195 HydrophobicContact CG1-CG2 4.26Å; V144-V195 HydrophobicContact CG2-CG1 4.44Å; V144-V195 HydrophobicContact CG2-CG2 4.24Å; F159-V195 HydrophobicContact CD1-CG2 3.98Å; F159-V195 HydrophobicContact CE1-CG2 3.77Å
196Y85.8Confident68.5Low30 Ų3044.4 Ų44.412%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-120.3143.6175.5-66.4-91000110.5V101 H102 Q103 A128 I132 L142 A143 L145 L194V101-Y196 HydrophobicContact CG1-CD1 4.05Å; H102-Y196 WeakPolarHBondContact O-CA 3.37Å; Q103-Y196 HydrophobicContact CB-CD1 4Å; Q103-Y196 HydrophobicContact CB-CE1 3.69Å; Q103-Y196 HydrophobicContact CG-CE1 4.1Å; A128-Y196 HydrophobicContact CB-CD2 4.4Å; A128-Y196 HydrophobicContact CB-CE1 4.37Å; A128-Y196 HydrophobicContact CB-CE2 3.63Å; I132-Y196 HydrophobicContact CD1-CD1 4Å; I132-Y196 HydrophobicContact CD1-CG 3.95Å; I132-Y196 HydrophobicContact CG1-CG 4.24Å; L142-Y196 WeakPolarHBondContact CA-O 3.35Å; A143-Y196 PolarHBondContact N-O 2.98Å; A143-Y196 PolarHBondContact O-N 3.45Å; L145-Y196 HydrophobicContact CD2-CE2 4.27Å; L194-Y196 HydrophobicContact CB-CE2 4.32Å; L194-Y196 HydrophobicContact CD2-CE2 3.56Å; L194-Y196 WeakPolarHBondContact CD2-OH 3.35Å; L194-Y196 HydrophobicContact CG-CD2 4.38Å; L194-Y196 HydrophobicContact CG-CE2 3.56Å
197H80.8Confident70.6Confident17 Ų1746.2 Ų46.28%0.07925%0.254CS..EExtended strand (participates in β ladder)trans-80.1133.3161.8-83.9-87.9000109.9H102 R104 P141 S387H102-H197 PolarHBondContact O-N 3.21Å; R104-H197 PolarHBondContact NH1-NE2 2.94Å; R104-H197 VanDerWaalsContact NH1-NE2 3.18Å; P141-H197 WeakPolarHBondContact O-CA 3.17Å; H197-S387 PolarHBondContact CD2-OG 2.79Å; H197-S387 PolarHBondContact CE1-OG 2.04Å; H197-S387 PolarHBondContact ND1-OG 3.39Å; H197-S387 PolarHBondContact NE2-OG 3.06Å
198T77.8Confident73.1Confident8 Ų843 Ų435%0.04923%0.226CC..  trans-83.3166168.276.40000109.4I132 C135 L140 P141 A143 V200I132-T198 HydrophobicContact CG2-CG2 4.44Å; C135-T198 HydrophobicContact CB-CG2 3.76Å; L140-T198 VanDerWaalsContact O-CG2 3.26Å; L140-T198 WeakPolarHBondContact O-CG2 3.28Å; L140-T198 PolarHBondContact O-OG1 2.77Å; P141-T198 WeakPolarHBondContact CA-OG1 3.34Å; P141-T198 PolarHBondContact O-N 3.37Å; P141-T198 PolarHBondContact O-OG1 2.98Å; A143-T198 HydrophobicContact CB-CG2 4.12Å; T198-V200 PolarHBondContact O-N 2.03Å; T198-V200 VanDerWaalsContact O-N 3.16Å; T198-V200 WeakPolarHBondContact OG1-CB 3.03Å; T198-V200 PolarHBondContact OG1-N 3.24Å
199P69.2Low75.4Confident30 Ų3042.1 Ų42.120%0.19521%0.213CC..SBendtrans-67.1-6.8172.2-13.726.9000113.9F98 T136 L201F98-P199 HydrophobicContact CB-CG 4.11Å; F98-P199 HydrophobicContact CD1-CB 4.43Å; F98-P199 HydrophobicContact CD1-CG 3.25Å; F98-P199 HydrophobicContact CE1-CG 3.7Å; F98-P199 HydrophobicContact CG-CG 3.85Å; T136-P199 WeakPolarHBondContact OG1-CD 3.04Å; P199-L201 PolarHBondContact O-N 2.85Å
200V71.1Confident77.4Confident10 Ų1036.4 Ų36.46%0.06119%0.186CC..SBendtrans-71.3117.5-179.1-177.90000108.8T136 T198 D202T136-V200 HydrophobicContact CG2-CG2 4Å; T198-V200 PolarHBondContact O-N 2.03Å; T198-V200 VanDerWaalsContact O-N 3.16Å; T198-V200 WeakPolarHBondContact OG1-CB 3.03Å; T198-V200 PolarHBondContact OG1-N 3.24Å; V200-D202 PolarHBondContact O-N 3.32Å
201L65.3Low79.1Confident45 Ų4535.5 Ų35.524%0.23618%0.177CC..PPolyproline II helixtrans-64.8125.8175-173.270.8000109.9P199 C205 K206 N388P199-L201 PolarHBondContact O-N 2.85Å; L201-C205 HydrophobicContact CD1-CB 3.49Å; L201-C205 VanDerWaalsContact CD1-CB 3.49Å; L201-C205 HydrophobicContact CD2-CB 4.19Å; L201-C205 HydrophobicContact CG-CB 3.76Å; L201-K206 HydrophobicContact CB-CG 4.47Å; L201-K206 HydrophobicContact CD2-CG 3.62Å; L201-K206 HydrophobicContact CG-CG 3.98Å; L201-K206 WeakPolarHBondContact O-CE 3.24Å; L201-K206 PolarHBondContact O-NZ 3.35Å; L201-N388 HydrophobicContact CD1-CB 4.15Å; L201-N388 WeakPolarHBondContact CD1-OD1 3.44Å
202D67.4Low79.7Confident7 Ų739.8 Ų39.84%0.03720%0.203CC..PPolyproline II helixtrans-57.7141.1176.5-160-48.6000112.7P141 T155 V200 R204 C205 K206P141-D202 HydrophobicContact CB-CB 4.38Å; T155-D202 VanDerWaalsContact CG2-OD2 3.3Å; T155-D202 WeakPolarHBondContact CG2-OD2 3.29Å; T155-D202 PolarHBondContact OG1-OD2 3.4Å; V200-D202 PolarHBondContact O-N 3.32Å; D202-R204 PolarHBondContact O-N 3.2Å; D202-R204 VanDerWaalsContact OD1-CB 3.32Å; D202-R204 WeakPolarHBondContact OD1-CB 3.44Å; D202-R204 WeakPolarHBondContact OD1-CG 2.98Å; D202-R204 PolarHBondContact OD1-N 2.8Å; D202-R204 IonicContact OD1-NE 2.66Å; D202-R204 PolarHBondContact OD1-NE 3.38Å; D202-R204 IonicContact OD2-CZ 3.98Å; D202-R204 IonicContact OD2-NE 3.1Å; D202-R204 PolarHBondContact OD2-NE 2.9Å; D202-R204 IonicContact OD2-NH2 2.85Å; D202-R204 PolarHBondContact OD2-NH2 2.96Å; D202-C205 HydrophobicContact CB-CB 4.41Å; D202-C205 WeakPolarHBondContact O-CA 3.15Å; D202-C205 WeakPolarHBondContact O-CB 3.39Å; D202-C205 PolarHBondContact O-N 3.44Å; D202-K206 PolarHBondContact O-N 2.81Å; D202-K206 VanDerWaalsContact O-N 3.14Å
203S64.9Low80Confident61 Ų6146.9 Ų46.943%0.42724%0.236SC..Hα-helixtrans-56.7-33.817451.70000111.7C205 K206 E207S203-C205 PolarHBondContact O-N 2.97Å; S203-K206 PolarHBondContact O-N 3.43Å; S203-E207 PolarHBondContact O-N 3.11Å
204R69.7Low80.3Confident29 Ų2955.4 Ų55.411%0.10927%0.268CS..Hα-helixtrans-62.2-24.4175.6-55.8168.7-42.1152.114.7112.4T155 D202 E380 R381T155-R204 VanDerWaalsContact CB-NH1 3.33Å; T155-R204 VanDerWaalsContact CG2-NH2 3.27Å; T155-R204 PolarHBondContact OG1-NE 3.48Å; T155-R204 PolarHBondContact OG1-NH1 3.48Å; T155-R204 PolarHBondContact OG1-NH2 3.3Å; D202-R204 PolarHBondContact O-N 3.2Å; D202-R204 VanDerWaalsContact OD1-CB 3.32Å; D202-R204 WeakPolarHBondContact OD1-CB 3.44Å; D202-R204 WeakPolarHBondContact OD1-CG 2.98Å; D202-R204 PolarHBondContact OD1-N 2.8Å; D202-R204 IonicContact OD1-NE 2.66Å; D202-R204 PolarHBondContact OD1-NE 3.38Å; D202-R204 IonicContact OD2-CZ 3.98Å; D202-R204 IonicContact OD2-NE 3.1Å; D202-R204 PolarHBondContact OD2-NE 2.9Å; D202-R204 IonicContact OD2-NH2 2.85Å; D202-R204 PolarHBondContact OD2-NH2 2.96Å; R204-E380 WeakPolarHBondContact CD-OE2 3.21Å; R204-E380 IonicContact NH1-OE1 3.15Å; R204-E380 PolarHBondContact NH2-O 2.98Å; R204-R381 PolarHBondContact O-NE 3.13Å; R204-R381 PolarHBondContact O-NH1 2.84Å; R204-R381 PolarHBondContact O-NH2 2.98Å
205C69Low80.5Confident0 Ų056.5 Ų56.50%028%0.278CS..Hα-helixtrans-91.1-26.2174.3-60.50000113.9L201 D202 S203 R208 L238 C384 N388L201-C205 HydrophobicContact CD1-CB 3.49Å; L201-C205 VanDerWaalsContact CD1-CB 3.49Å; L201-C205 HydrophobicContact CD2-CB 4.19Å; L201-C205 HydrophobicContact CG-CB 3.76Å; D202-C205 HydrophobicContact CB-CB 4.41Å; D202-C205 WeakPolarHBondContact O-CA 3.15Å; D202-C205 WeakPolarHBondContact O-CB 3.39Å; D202-C205 PolarHBondContact O-N 3.44Å; S203-C205 PolarHBondContact O-N 2.97Å; C205-R208 PolarHBondContact O-NE 3.24Å; C205-L238 HydrophobicContact CB-CD2 4.2Å; C205-C384 WeakPolarHBondContact CA-SG 3.29Å; C205-C384 HydrophobicContact CB-CB 4.32Å; C205-C384 WeakPolarHBondContact CB-SG 3.36Å; C205-C384 WeakPolarHBondContact SG-CA 3.27Å; C205-C384 WeakPolarHBondContact SG-CB 3.31Å; C205-C384 CovalentContact SG-SG 2Å; C205-C384 PolarHBondContact SG-SG 2.99Å; C205-N388 PolarHBondContact SG-ND2 2.91Å; C205-N388 VanDerWaalsContact SG-ND2 3.36Å
206K67.5Low80.5Confident88 Ų8862.6 Ų62.638%0.38332%0.321SS..Hα-helixtrans-74.6-36-176.1-74.6176.4173.7178.10111.7L201 D202 S203 R208L201-K206 HydrophobicContact CB-CG 4.47Å; L201-K206 HydrophobicContact CD2-CG 3.62Å; L201-K206 HydrophobicContact CG-CG 3.98Å; L201-K206 WeakPolarHBondContact O-CE 3.24Å; L201-K206 PolarHBondContact O-NZ 3.35Å; D202-K206 PolarHBondContact O-N 2.81Å; D202-K206 VanDerWaalsContact O-N 3.14Å; S203-K206 PolarHBondContact O-N 3.43Å; K206-R208 PolarHBondContact O-N 3.42Å
207E74.5Confident80.9Confident127 Ų12763.6 Ų63.659%0.59333%0.332SS*.  trans-82.7110.9-176.9-67.8-178.3-170.500111.7S203 R381S203-E207 PolarHBondContact O-N 3.11Å; E207-R381 PolarHBondContact O-NH1 2.99Å; E207-R381 VanDerWaalsContact O-NH1 3.08Å; E207-R381 PolarHBondContact O-NH2 3.14Å
208R87.6Confident81.7Confident51 Ų5164 Ų6419%0.19234%0.335CS..  trans-131.1142171.1-59.3167.9-148.4-178.68.5109.3C205 K206 E237 G241 Y243C205-R208 PolarHBondContact O-NE 3.24Å; K206-R208 PolarHBondContact O-N 3.42Å; R208-E237 IonicContact NH1-OE2 3.43Å; R208-E237 PolarHBondContact NH1-OE2 3.07Å; R208-G241 VanDerWaalsContact CA-O 3.25Å; R208-G241 WeakPolarHBondContact CA-O 3.48Å; R208-Y243 HydrophobicContact CB-CD1 4.12Å; R208-Y243 HydrophobicContact CB-CE1 3.57Å; R208-Y243 HydrophobicContact CB-CE2 4.41Å; R208-Y243 WeakPolarHBondContact O-CE2 3.22Å; R208-Y243 PolarHBondContact O-OH 3Å
209M90.7Very high82.6Confident98 Ų9864.5 Ų64.548%0.48334%0.337SS..BIsolated β-bridgetrans-138.4167.5-178.261.8-178.980.200111.4G241 Y242 Y243M209-G241 PolarHBondContact N-O 3.43Å; M209-Y242 HydrophobicContact CG-CD1 3.91Å; M209-Y242 HydrophobicContact CG-CE1 3.86Å; M209-Y242 CarbonylContact O-C 3.51Å; M209-Y242 VanDerWaalsContact O-CA 3.24Å; M209-Y242 WeakPolarHBondContact O-CA 3.27Å; M209-Y242 HydrophobicContact SD-CE1 4.31Å; M209-Y243 WeakPolarHBondContact O-CD2 2.94Å; M209-Y243 PolarHBondContact O-N 3.43Å
210F95.1Very high84Confident43 Ų4363 Ų6319%0.18933%0.328CS..  trans-71.6158.1162.7-72.9-76.1000109.4Y243 K259 D263 R269F210-Y243 HydrophobicContact CD1-CD2 4.18Å; F210-Y243 AromaticContact CD2-CD2 3.89Å; F210-Y243 HydrophobicContact CD2-CD2 3.89Å; F210-Y243 HydrophobicContact CD2-CE2 4.33Å; F210-Y243 HydrophobicContact CE1-CD2 4.24Å; F210-Y243 AromaticContact CE2-CD2 3.94Å; F210-Y243 HydrophobicContact CE2-CD2 3.94Å; F210-Y243 HydrophobicContact CE2-CE2 4.35Å; F210-Y243 HydrophobicContact CG-CD2 4.02Å; F210-Y243 HydrophobicContact CZ-CD2 4.13Å; F210-K259 HydrophobicContact CE2-CB 4.44Å; F210-K259 HydrophobicContact CZ-CB 4.28Å; F210-D263 HydrophobicContact CE1-CB 3.86Å; F210-D263 HydrophobicContact CZ-CB 4.07Å; F210-R269 HydrophobicContact CB-CB 4.18Å; F210-R269 HydrophobicContact CD1-CB 3.83Å; F210-R269 WeakPolarHBondContact CD1-O 3.39Å; F210-R269 HydrophobicContact CG-CB 4.29Å
211L94.8Very high85.3Confident31 Ų3162.6 Ų62.616%0.16233%0.325CS..  trans-52.6132.8173.4-67.8172.4000109.7Q213 Y242 R269 S270L211-Q213 VanDerWaalsContact CB-O 3.28Å; L211-Q213 WeakPolarHBondContact CB-O 3.25Å; L211-Q213 PolarHBondContact O-N 3.4Å; L211-Y242 HydrophobicContact CD2-CD1 3.93Å; L211-Y242 HydrophobicContact CD2-CD2 3.68Å; L211-Y242 HydrophobicContact CD2-CE1 4.2Å; L211-Y242 HydrophobicContact CD2-CE2 3.94Å; L211-Y242 HydrophobicContact CD2-CG 3.68Å; L211-R269 WeakPolarHBondContact CB-O 3.32Å; L211-R269 PolarHBondContact N-O 3.05Å; L211-S270 WeakPolarHBondContact CD1-O 3.44Å
212P91.5Very high86.9Confident103 Ų10360.4 Ų60.467%0.66931%0.314SS*.SBendtrans-65.2-28.8-177.225.8-34.2000111.8
213Q92.9Very high88.4Confident165 Ų16560.1 Ų60.177%0.77131%0.312SS*.SBendtrans-121.5144.1171.8-62.9-177.74.700109.1L211 S215L211-Q213 VanDerWaalsContact CB-O 3.28Å; L211-Q213 WeakPolarHBondContact CB-O 3.25Å; L211-Q213 PolarHBondContact O-N 3.4Å; Q213-S215 PolarHBondContact O-N 3.47Å
214R93.9Very high89.9Confident192 Ų19257.4 Ų57.473%0.72529%0.293SS*.  trans-68.5123.8176.6-65.5-179.1-176.2-174.52.1109.1S267 G268 R269R214-S267 WeakPolarHBondContact CD-O 3.2Å; R214-G268 CarbonylContact C-O 3.47Å; R214-G268 WeakPolarHBondContact CA-O 3.2Å; R214-R269 HydrophobicContact CG-CG 4.03Å
215S93Very high91.1Very high51 Ų5156.4 Ų56.436%0.35729%0.29SS..  trans-66.3130.9169.9-176.70000109.5Q213 S217 G268Q213-S215 PolarHBondContact O-N 3.47Å; S215-S217 VanDerWaalsContact C-N 3.25Å; S215-S217 PolarHBondContact OG-N 3.25Å; S215-S217 PolarHBondContact OG-O 3Å; S215-G268 PolarHBondContact N-O 2.95Å; S215-G268 WeakPolarHBondContact O-CA 3.32Å
216S89.1Confident92.1Very high129 Ų12957 Ų5790%0.90230%0.297SS*.SBendtrans-77.5-15.216653.40000112.3
217S93.7Very high93.4Very high50 Ų5052.9 Ų52.935%0.3528%0.279SS..SBendtrans-100.3132.7177.1-172.60000112.2S215 D287S215-S217 VanDerWaalsContact C-N 3.25Å; S215-S217 PolarHBondContact OG-N 3.25Å; S215-S217 PolarHBondContact OG-O 3Å; S217-D287 WeakPolarHBondContact CA-OD2 3.18Å; S217-D287 WeakPolarHBondContact OG-CB 3.36Å; S217-D287 PolarHBondContact OG-OD2 3.14Å
218L96.3Very high94.2Very high27 Ų2747.5 Ų47.514%0.14126%0.258CS..  trans-103.4111.7-179-163.467.8000110.7W265 K266 V273 F286 D287L218-W265 HydrophobicContact CD2-CE3 4.15Å; L218-W265 HydrophobicContact CD2-CZ3 3.7Å; L218-K266 HydrophobicContact CD2-CG 4.46Å; L218-V273 HydrophobicContact CD1-CG2 3.94Å; L218-F286 HydrophobicContact CB-CD1 4.27Å; L218-F286 HydrophobicContact CD2-CD1 3.69Å; L218-F286 HydrophobicContact CD2-CE1 3.67Å; L218-F286 HydrophobicContact CD2-CG 4.44Å; L218-F286 HydrophobicContact CD2-CZ 4.44Å; L218-F286 HydrophobicContact CG-CD1 3.57Å; L218-F286 HydrophobicContact CG-CE1 3.73Å; L218-D287 PolarHBondContact N-OD2 3.02Å; L218-D287 PolarHBondContact O-N 2.91Å
219V98.1Very high94.4Very high17 Ų1746 Ų4610%0.10325%0.253CS..EExtended strand (participates in β ladder)trans-101.2124.2178.9-1690000110.5C272 V273 S288 F372 L373V219-C272 HydrophobicContact CB-CB 4.14Å; V219-C272 HydrophobicContact CG1-CB 4.32Å; V219-C272 CarbonylContact O-C 3.5Å; V219-C272 VanDerWaalsContact O-CA 3.29Å; V219-C272 WeakPolarHBondContact O-CA 3.23Å; V219-C272 WeakPolarHBondContact O-CB 3.31Å; V219-V273 PolarHBondContact O-N 3.3Å; V219-S288 WeakPolarHBondContact CA-O 3.45Å; V219-S288 WeakPolarHBondContact CG2-OG 3.46Å; V219-F372 HydrophobicContact CG1-CE1 3.96Å; V219-L373 HydrophobicContact CB-CD2 4.17Å; V219-L373 HydrophobicContact CG1-CD2 3.79Å; V219-L373 HydrophobicContact CG2-CD2 4.31Å
220A98.4Very high94.3Very high0 Ų042.7 Ų42.70%024%0.239CC..EExtended strand (participates in β ladder)trans-82.9141.3171.300000111.7V273 T275 F286 S288 A289 I290 W343A220-V273 CarbonylContact C-O 3.44Å; A220-V273 WeakPolarHBondContact CA-O 2.87Å; A220-T275 HydrophobicContact CB-CG2 4.1Å; A220-F286 HydrophobicContact CB-CB 4.16Å; A220-F286 HydrophobicContact CB-CD1 3.53Å; A220-F286 HydrophobicContact CB-CD2 3.98Å; A220-F286 HydrophobicContact CB-CE1 3.83Å; A220-F286 HydrophobicContact CB-CE2 4.24Å; A220-F286 HydrophobicContact CB-CG 3.62Å; A220-F286 HydrophobicContact CB-CZ 4.17Å; A220-S288 PolarHBondContact N-O 3.23Å; A220-A289 HydrophobicContact CB-CB 3.78Å; A220-A289 CarbonylContact O-C 3.52Å; A220-A289 VanDerWaalsContact O-CA 3.31Å; A220-A289 WeakPolarHBondContact O-CA 3.2Å; A220-I290 PolarHBondContact O-N 3.24Å; A220-W343 HydrophobicContact CB-CH2 3.66Å; A220-W343 HydrophobicContact CB-CZ3 4.05Å
221L98.6Very high94.1Very high0 Ų041.7 Ų41.70%023%0.234CC..EExtended strand (participates in β ladder)trans-100.992.7153.8176.963.2000107.3V232 R233 I236 V273 K274 T275 I290 L292L221-V232 HydrophobicContact CD1-CG1 4.08Å; L221-V232 HydrophobicContact CD2-CG1 4.26Å; L221-R233 HydrophobicContact CD2-CG 3.48Å; L221-R233 VanDerWaalsContact CD2-CG 3.48Å; L221-I236 HydrophobicContact CD1-CD1 4.48Å; L221-I236 HydrophobicContact CD2-CD1 4.18Å; L221-V273 PolarHBondContact N-O 2.79Å; L221-K274 HydrophobicContact CB-CD 4.42Å; L221-K274 HydrophobicContact CD2-CD 4.01Å; L221-K274 HydrophobicContact CG-CD 4.02Å; L221-K274 WeakPolarHBondContact O-CA 3.41Å; L221-K274 WeakPolarHBondContact O-CD 3.43Å; L221-K274 PolarHBondContact O-NZ 2.92Å; L221-T275 PolarHBondContact O-N 3.39Å; L221-T275 VanDerWaalsContact O-N 3.09Å; L221-I290 HydrophobicContact CD1-CB 4.01Å; L221-I290 HydrophobicContact CD1-CG2 3.89Å; L221-L292 HydrophobicContact CD1-CB 4.46Å
222S98.3Very high94.2Very high0 Ų040.5 Ų40.50%023%0.228CC..EExtended strand (participates in β ladder)trans-98.9141.2-176.3-168.40000111.8I290 L292 H339 W343S222-I290 PolarHBondContact N-O 3.32Å; S222-L292 PolarHBondContact O-N 3.02Å; S222-H339 PolarHBondContact OG-CE1 2.82Å; S222-H339 PolarHBondContact OG-NE2 2.81Å; S222-H339 VanDerWaalsContact OG-NE2 3.09Å; S222-W343 VanDerWaalsContact OG-CZ2 3.29Å; S222-W343 WeakPolarHBondContact OG-CZ2 3.29Å; S222-W343 PolarHBondContact OG-NE1 3.09Å
223S97.8Very high94.3Very high0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-174.3160.9177.649.60000111.5N229 K274 H276 L292 H339S223-N229 WeakPolarHBondContact CB-OD1 3.31Å; S223-N229 PolarHBondContact OG-OD1 3.07Å; S223-K274 WeakPolarHBondContact OG-CE 3.25Å; S223-K274 PolarHBondContact OG-NZ 3.03Å; S223-H276 PolarHBondContact O-CE1 3.5Å; S223-H276 PolarHBondContact O-ND1 3.28Å; S223-L292 WeakPolarHBondContact CB-O 3.44Å; S223-H339 WeakPolarHBondContact CA-NE2 3.43Å; S223-H339 PolarHBondContact N-NE2 3.42Å; S223-H339 PolarHBondContact O-NE2 2.82Å
224F97.6Very high94.3Very high4 Ų428.5 Ų28.52%0.01816%0.162CC..  trans-66.1148.5168.5-179.2-103.1000112.1A227 N229 L300 Y332 W335 W336F224-A227 WeakPolarHBondContact O-CB 3.4Å; F224-A227 PolarHBondContact O-N 3.33Å; F224-N229 PolarHBondContact O-ND2 3.08Å; F224-L300 HydrophobicContact CE1-CD2 4.49Å; F224-L300 HydrophobicContact CZ-CD2 4.22Å; F224-Y332 HydrophobicContact CE2-CD1 4.13Å; F224-Y332 WeakPolarHBondContact CE2-O 3.37Å; F224-Y332 AromaticContact CZ-CD1 3.69Å; F224-Y332 HydrophobicContact CZ-CD1 3.69Å; F224-Y332 HydrophobicContact CZ-CG 4.37Å; F224-W335 HydrophobicContact CD2-CD2 4.04Å; F224-W335 HydrophobicContact CD2-CE3 4.18Å; F224-W335 HydrophobicContact CD2-CG 4.28Å; F224-W335 HydrophobicContact CE2-CB 4.11Å; F224-W335 AromaticContact CE2-CD2 3.77Å; F224-W335 HydrophobicContact CE2-CD2 3.77Å; F224-W335 AromaticContact CE2-CE3 3.58Å; F224-W335 HydrophobicContact CE2-CE3 3.58Å; F224-W335 HydrophobicContact CE2-CG 4.02Å; F224-W335 HydrophobicContact CE2-CZ3 4.3Å; F224-W335 HydrophobicContact CZ-CE3 4.47Å; F224-W336 HydrophobicContact CD1-CB 4.3Å; F224-W336 AromaticContact CD1-CD1 3.8Å; F224-W336 HydrophobicContact CD1-CG 4.47Å; F224-W336 VanDerWaalsContact CD2-CA 3.5Å; F224-W336 HydrophobicContact CD2-CB 3.91Å; F224-W336 HydrophobicContact CE1-CB 4.35Å; F224-W336 HydrophobicContact CE2-CB 3.93Å; F224-W336 HydrophobicContact CG-CB 4.09Å; F224-W336 AromaticContact CG-CD1 3.89Å; F224-W336 HydrophobicContact CG-CG 4.39Å; F224-W336 HydrophobicContact CZ-CB 4.14Å
225P94.1Very high94.3Very high8 Ų819.4 Ų19.45%0.05213%0.128CC..THydrogen-bonded Turntrans-55.9142.8171.3-26.736.8000112.8A227 E303 W335P225-A227 PolarHBondContact O-N 2.99Å; P225-E303 HydrophobicContact CB-CG 3.89Å; P225-E303 VanDerWaalsContact CB-OE2 3.29Å; P225-E303 WeakPolarHBondContact CB-OE2 2.99Å; P225-W335 HydrophobicContact CG-CH2 3.42Å; P225-W335 VanDerWaalsContact CG-CH2 3.42Å; P225-W335 HydrophobicContact CG-CZ2 4.19Å; P225-W335 HydrophobicContact CG-CZ3 3.7Å
226G91.4Very high94.5Very high14 Ų1417 Ų1714%0.14411%0.111CC..THydrogen-bonded Turntrans78-2.7-175.300000115.9G228 R294G226-G228 PolarHBondContact O-N 3.1Å; G226-R294 PolarHBondContact O-NH1 3.13Å
227A95.2Very high94.8Very high1 Ų110.9 Ų10.91%0.0087%0.068CC..SBendtrans-76.63.7179.100000115.5F224 P225 R294 Y355F224-A227 WeakPolarHBondContact O-CB 3.4Å; F224-A227 PolarHBondContact O-N 3.33Å; P225-A227 PolarHBondContact O-N 2.99Å; A227-R294 HydrophobicContact CB-CB 3.84Å; A227-Y355 WeakPolarHBondContact O-CD2 3.22Å
228G91Very high94.6Very high14 Ų148.5 Ų8.514%0.1445%0.052CC..SBendtrans100.221-178.800000115.2G226 T230 W231 V232G226-G228 PolarHBondContact O-N 3.1Å; G228-T230 PolarHBondContact O-N 2.82Å; G228-W231 WeakPolarHBondContact O-CB 3.23Å; G228-W231 PolarHBondContact O-N 3.21Å; G228-W231 VanDerWaalsContact O-N 3.11Å; G228-V232 PolarHBondContact O-N 2.65Å
229N90.6Very high94.4Very high18 Ų187.2 Ų7.210%0.0965%0.045CC..Hα-helixtrans-47.8-57.7-173.1-52.5-35.8000114.7S223 F224 W231 V232 R233 K274 H276S223-N229 WeakPolarHBondContact CB-OD1 3.31Å; S223-N229 PolarHBondContact OG-OD1 3.07Å; F224-N229 PolarHBondContact O-ND2 3.08Å; N229-W231 VanDerWaalsContact C-N 3.29Å; N229-W231 PolarHBondContact O-N 3.39Å; N229-V232 PolarHBondContact O-N 2.99Å; N229-R233 WeakPolarHBondContact O-CG 3.18Å; N229-R233 PolarHBondContact O-N 3.33Å; N229-K274 HydrophobicContact CB-CD 4.02Å; N229-K274 WeakPolarHBondContact OD1-CE 3.38Å; N229-H276 PolarHBondContact ND2-CE1 3.47Å
230T89.2Confident94.3Very high30 Ų307 Ų718%0.1844%0.044CC..Hα-helixtrans-65.2-35.9-178-50.50000111.6G228 H234 L253 F258 F393G228-T230 PolarHBondContact O-N 2.82Å; T230-H234 WeakPolarHBondContact O-CB 3.39Å; T230-H234 PolarHBondContact O-N 3.35Å; T230-L253 HydrophobicContact CG2-CD2 3.59Å; T230-F258 HydrophobicContact CG2-CE2 3.57Å; T230-F258 HydrophobicContact CG2-CZ 3.88Å; T230-F393 HydrophobicContact CG2-CB 3.95Å; T230-F393 HydrophobicContact CG2-CD1 3.37Å; T230-F393 HydrophobicContact CG2-CD2 4.44Å; T230-F393 HydrophobicContact CG2-CE1 3.92Å; T230-F393 HydrophobicContact CG2-CG 3.66Å
231W91.3Very high94Very high22 Ų227.1 Ų7.18%0.0835%0.045CC..Hα-helixtrans-66.6-47.2177.8-179.459.8000111.5G228 N229 R233 H234 L235 Y355 L358 Q359 Q389G228-W231 WeakPolarHBondContact O-CB 3.23Å; G228-W231 PolarHBondContact O-N 3.21Å; G228-W231 VanDerWaalsContact O-N 3.11Å; N229-W231 VanDerWaalsContact C-N 3.29Å; N229-W231 PolarHBondContact O-N 3.39Å; W231-R233 VanDerWaalsContact C-N 3.33Å; W231-R233 PolarHBondContact O-N 2.93Å; W231-H234 WeakPolarHBondContact O-CB 3.28Å; W231-H234 PolarHBondContact O-N 3.14Å; W231-L235 HydrophobicContact CD2-CD1 3.88Å; W231-L235 HydrophobicContact CE3-CD1 4.1Å; W231-L235 HydrophobicContact CH2-CD1 4Å; W231-L235 HydrophobicContact CZ2-CD1 3.72Å; W231-L235 HydrophobicContact CZ3-CD1 4.18Å; W231-L235 WeakPolarHBondContact O-CG 3.49Å; W231-L235 PolarHBondContact O-N 3.37Å; W231-Y355 HydrophobicContact CD2-CE2 4.17Å; W231-Y355 AromaticContact CE3-CD2 3.79Å; W231-Y355 HydrophobicContact CE3-CD2 3.79Å; W231-Y355 AromaticContact CE3-CE2 3.18Å; W231-Y355 HydrophobicContact CE3-CE2 3.18Å; W231-Y355 AromaticContact CE3-CZ 3.87Å; W231-Y355 AromaticContact CZ3-CD2 3.8Å; W231-Y355 HydrophobicContact CZ3-CD2 3.8Å; W231-Y355 AromaticContact CZ3-CE2 3.43Å; W231-Y355 HydrophobicContact CZ3-CE2 3.43Å; W231-Y355 VanDerWaalsContact CZ3-CE2 3.43Å; W231-Y355 AromaticContact CZ3-CZ 3.85Å; W231-L358 HydrophobicContact CH2-CB 4.07Å; W231-L358 HydrophobicContact CZ3-CB 3.95Å; W231-Q359 HydrophobicContact CH2-CG 3.77Å; W231-Q359 HydrophobicContact CZ3-CG 4.14Å; W231-Q389 PolarHBondContact NE1-O 2.91Å
232V95.5Very high93.8Very high5 Ų59.9 Ų9.93%0.036%0.056CC..Hα-helixtrans-65.4-37.5178177.40000111.6L221 G228 N229 L235 I236 L292 L358L221-V232 HydrophobicContact CD1-CG1 4.08Å; L221-V232 HydrophobicContact CD2-CG1 4.26Å; G228-V232 PolarHBondContact O-N 2.65Å; N229-V232 PolarHBondContact O-N 2.99Å; V232-L235 PolarHBondContact O-N 2.76Å; V232-I236 HydrophobicContact CG1-CD1 3.96Å; V232-I236 HydrophobicContact CG1-CG1 4.42Å; V232-I236 VanDerWaalsContact O-CG1 3.29Å; V232-I236 WeakPolarHBondContact O-CG1 3.35Å; V232-I236 PolarHBondContact O-N 2.86Å; V232-L292 HydrophobicContact CB-CD2 4.08Å; V232-L292 HydrophobicContact CG2-CD1 4.04Å; V232-L292 HydrophobicContact CG2-CD2 3.58Å; V232-L292 HydrophobicContact CG2-CG 4.45Å; V232-L358 HydrophobicContact CG1-CD1 4.47Å; V232-L358 HydrophobicContact CG2-CD1 3.74Å
233R95.4Very high93.7Very high5 Ų511.7 Ų11.72%0.0196%0.063CC..Hα-helixtrans-59.7-48.2171.3-70.5174.570-172.80.9111.8L221 N229 W231 L235 I236 E237 T244 F258 E261L221-R233 HydrophobicContact CD2-CG 3.48Å; L221-R233 VanDerWaalsContact CD2-CG 3.48Å; N229-R233 WeakPolarHBondContact O-CG 3.18Å; N229-R233 PolarHBondContact O-N 3.33Å; W231-R233 VanDerWaalsContact C-N 3.33Å; W231-R233 PolarHBondContact O-N 2.93Å; R233-L235 VanDerWaalsContact C-N 3.31Å; R233-L235 PolarHBondContact O-N 2.95Å; R233-I236 PolarHBondContact O-N 3.31Å; R233-I236 VanDerWaalsContact O-N 3.17Å; R233-E237 WeakPolarHBondContact O-CG 3.4Å; R233-E237 PolarHBondContact O-N 3.48Å; R233-T244 HydrophobicContact CB-CG2 4.3Å; R233-T244 HydrophobicContact CG-CG2 4.44Å; R233-T244 PolarHBondContact NE-OG1 3.32Å; R233-T244 PolarHBondContact NH2-O 3.25Å; R233-T244 PolarHBondContact NH2-OG1 3.01Å; R233-F258 HydrophobicContact CB-CD1 4.28Å; R233-F258 HydrophobicContact CB-CE1 3.47Å; R233-F258 VanDerWaalsContact CB-CE1 3.47Å; R233-F258 HydrophobicContact CB-CZ 4.04Å; R233-E261 IonicContact CZ-OE1 3.37Å; R233-E261 IonicContact NH1-OE1 2.8Å; R233-E261 PolarHBondContact NH1-OE1 3.48Å; R233-E261 IonicContact NH2-OE1 3.05Å; R233-E261 PolarHBondContact NH2-OE1 2.96Å
234H92.5Very high93.7Very high11 Ų1111.7 Ų11.75%0.0516%0.063CC..Hα-helixtrans-55.4-46.6176.517272.8000111.6T230 W231 I236 E237 L238 F258 N388 F393T230-H234 WeakPolarHBondContact O-CB 3.39Å; T230-H234 PolarHBondContact O-N 3.35Å; W231-H234 WeakPolarHBondContact O-CB 3.28Å; W231-H234 PolarHBondContact O-N 3.14Å; H234-I236 PolarHBondContact O-N 3.43Å; H234-E237 PolarHBondContact O-N 3.39Å; H234-L238 VanDerWaalsContact NE2-CD1 3.29Å; H234-L238 WeakPolarHBondContact NE2-CD1 3.19Å; H234-L238 WeakPolarHBondContact O-CG 3.32Å; H234-L238 PolarHBondContact O-N 2.93Å; H234-F258 HydrophobicContact CB-CZ 4Å; H234-N388 PolarHBondContact NE2-O 2.92Å; H234-F393 HydrophobicContact CB-CD2 4.06Å; H234-F393 HydrophobicContact CB-CE2 4.08Å; H234-F393 AromaticContact CG-CE2 3.94Å; H234-F393 AromaticContact ND1-CE2 3.68Å
235L94.1Very high93.6Very high1 Ų111.6 Ų11.61%0.0056%0.063CC..Hα-helixtrans-61.1-43.2176.3-70177.2000112.8W231 V232 R233 L238 V239 L362 L366 Q389W231-L235 HydrophobicContact CD2-CD1 3.88Å; W231-L235 HydrophobicContact CE3-CD1 4.1Å; W231-L235 HydrophobicContact CH2-CD1 4Å; W231-L235 HydrophobicContact CZ2-CD1 3.72Å; W231-L235 HydrophobicContact CZ3-CD1 4.18Å; W231-L235 WeakPolarHBondContact O-CG 3.49Å; W231-L235 PolarHBondContact O-N 3.37Å; V232-L235 PolarHBondContact O-N 2.76Å; R233-L235 VanDerWaalsContact C-N 3.31Å; R233-L235 PolarHBondContact O-N 2.95Å; L235-L238 PolarHBondContact O-N 2.89Å; L235-V239 WeakPolarHBondContact O-CG1 3.31Å; L235-V239 PolarHBondContact O-N 2.99Å; L235-L362 HydrophobicContact CD1-CD1 3.69Å; L235-L362 HydrophobicContact CD2-CD1 4.05Å; L235-L362 HydrophobicContact CD2-CD2 4.47Å; L235-L362 HydrophobicContact CG-CD1 4.47Å; L235-L366 HydrophobicContact CB-CD2 3.9Å; L235-Q389 HydrophobicContact CD2-CB 4.02Å
236I96.4Very high93.6Very high1 Ų111.6 Ų11.61%0.0056%0.063CC..Hα-helixtrans-61.5-47.3175.8-70.2167.7000110.3L221 V232 R233 H234 L238 V239 T240 T244 V271 I290 V369 L373L221-I236 HydrophobicContact CD1-CD1 4.48Å; L221-I236 HydrophobicContact CD2-CD1 4.18Å; V232-I236 HydrophobicContact CG1-CD1 3.96Å; V232-I236 HydrophobicContact CG1-CG1 4.42Å; V232-I236 VanDerWaalsContact O-CG1 3.29Å; V232-I236 WeakPolarHBondContact O-CG1 3.35Å; V232-I236 PolarHBondContact O-N 2.86Å; R233-I236 PolarHBondContact O-N 3.31Å; R233-I236 VanDerWaalsContact O-N 3.17Å; H234-I236 PolarHBondContact O-N 3.43Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 3.17Å; I236-V239 PolarHBondContact O-N 3.34Å; I236-T240 HydrophobicContact CG2-CG2 4.12Å; I236-T240 VanDerWaalsContact O-CB 3.31Å; I236-T240 WeakPolarHBondContact O-CB 3.48Å; I236-T240 VanDerWaalsContact O-CG2 3.3Å; I236-T240 WeakPolarHBondContact O-CG2 3.36Å; I236-T240 PolarHBondContact O-N 2.67Å; I236-T240 PolarHBondContact O-OG1 3.41Å; I236-T244 HydrophobicContact CB-CG2 4.16Å; I236-T244 HydrophobicContact CG2-CG2 3.83Å; I236-V271 HydrophobicContact CG2-CG1 3.72Å; I236-I290 HydrophobicContact CD1-CD1 4.4Å; I236-V369 HydrophobicContact CD1-CG1 4.08Å; I236-V369 HydrophobicContact CG1-CG1 3.82Å; I236-L373 HydrophobicContact CG2-CD1 3.97Å
237E94.4Very high93.6Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-64.9-36.5179.6-63-165.8174.700112.6R208 R233 H234 G241 Y242 T244 F258R208-E237 IonicContact NH1-OE2 3.43Å; R208-E237 PolarHBondContact NH1-OE2 3.07Å; R233-E237 WeakPolarHBondContact O-CG 3.4Å; R233-E237 PolarHBondContact O-N 3.48Å; H234-E237 PolarHBondContact O-N 3.39Å; E237-G241 VanDerWaalsContact O-CA 3.27Å; E237-G241 WeakPolarHBondContact O-CA 3.28Å; E237-G241 PolarHBondContact O-N 2.95Å; E237-Y242 WeakPolarHBondContact CA-O 3.47Å; E237-Y242 WeakPolarHBondContact CG-O 3.44Å; E237-T244 HydrophobicContact CG-CG2 3.75Å; E237-T244 PolarHBondContact OE1-N 2.97Å; E237-T244 PolarHBondContact OE1-OG1 2.73Å; E237-F258 HydrophobicContact CG-CE1 4.5Å; E237-F258 WeakPolarHBondContact OE1-CD1 3.31Å
238L90.8Very high93.3Very high0 Ų017.5 Ų17.50%08%0.083CC..Hα-helixtrans-65-47.7176.3-75-174.1000111.8C205 H234 L235 I236 R381 A385 N388C205-L238 HydrophobicContact CB-CD2 4.2Å; H234-L238 VanDerWaalsContact NE2-CD1 3.29Å; H234-L238 WeakPolarHBondContact NE2-CD1 3.19Å; H234-L238 WeakPolarHBondContact O-CG 3.32Å; H234-L238 PolarHBondContact O-N 2.93Å; L235-L238 PolarHBondContact O-N 2.89Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 3.17Å; L238-R381 WeakPolarHBondContact O-CD 3.36Å; L238-A385 HydrophobicContact CB-CB 4.07Å; L238-N388 HydrophobicContact CD1-CB 3.87Å
239V92.6Very high92.8Very high1 Ų123 Ų231%0.00610%0.103CC..Hα-helixtrans-77.4-32.5-174.679.10000112.6L235 I236 L366 I377 R381 L382 A385L235-V239 WeakPolarHBondContact O-CG1 3.31Å; L235-V239 PolarHBondContact O-N 2.99Å; I236-V239 PolarHBondContact O-N 3.34Å; V239-L366 HydrophobicContact CB-CD1 4.42Å; V239-L366 HydrophobicContact CB-CD2 4.5Å; V239-L366 HydrophobicContact CG1-CD2 4.12Å; V239-L366 HydrophobicContact CG2-CB 4.34Å; V239-L366 HydrophobicContact CG2-CD1 4.47Å; V239-I377 HydrophobicContact CG2-CB 4.26Å; V239-I377 HydrophobicContact CG2-CD1 3.71Å; V239-I377 HydrophobicContact CG2-CG2 4.11Å; V239-I377 VanDerWaalsContact O-CG2 3.26Å; V239-I377 WeakPolarHBondContact O-CG2 3.17Å; V239-R381 VanDerWaalsContact O-CB 3.29Å; V239-R381 WeakPolarHBondContact O-CB 3.36Å; V239-L382 HydrophobicContact CG2-CD2 3.58Å; V239-L382 HydrophobicContact CG2-CG 3.93Å; V239-A385 HydrophobicContact CB-CB 4.42Å
240T94.6Very high92Very high11 Ų1123.9 Ų23.97%0.06711%0.108CC..Hα-helixtrans-92.1-25.6-178.564.30000113.3I236 Y242 L373 V375I236-T240 HydrophobicContact CG2-CG2 4.12Å; I236-T240 VanDerWaalsContact O-CB 3.31Å; I236-T240 WeakPolarHBondContact O-CB 3.48Å; I236-T240 VanDerWaalsContact O-CG2 3.3Å; I236-T240 WeakPolarHBondContact O-CG2 3.36Å; I236-T240 PolarHBondContact O-N 2.67Å; I236-T240 PolarHBondContact O-OG1 3.41Å; T240-Y242 WeakPolarHBondContact O-CD2 3.44Å; T240-Y242 PolarHBondContact O-N 2.93Å; T240-Y242 PolarHBondContact OG1-N 3.18Å; T240-Y242 VanDerWaalsContact OG1-N 3.14Å; T240-L373 HydrophobicContact CG2-CD1 4.48Å; T240-V375 HydrophobicContact CG2-CB 4.3Å; T240-V375 HydrophobicContact CG2-CG1 4.1Å
241G91.9Very high90.9Very high3 Ų323.5 Ų23.53%0.03111%0.11CC..  trans70.78.8-168.400000114.3R208 M209 E237R208-G241 VanDerWaalsContact CA-O 3.25Å; R208-G241 WeakPolarHBondContact CA-O 3.48Å; M209-G241 PolarHBondContact N-O 3.43Å; E237-G241 VanDerWaalsContact O-CA 3.27Å; E237-G241 WeakPolarHBondContact O-CA 3.28Å; E237-G241 PolarHBondContact O-N 2.95Å
242Y95Very high89.7Confident58 Ų5824.2 Ų24.223%0.22712%0.119CC..BIsolated β-bridgetrans-113.3141.2-179.8-63.8-56000112.3M209 L211 E237 T240 V375M209-Y242 HydrophobicContact CG-CD1 3.91Å; M209-Y242 HydrophobicContact CG-CE1 3.86Å; M209-Y242 CarbonylContact O-C 3.51Å; M209-Y242 VanDerWaalsContact O-CA 3.24Å; M209-Y242 WeakPolarHBondContact O-CA 3.27Å; M209-Y242 HydrophobicContact SD-CE1 4.31Å; L211-Y242 HydrophobicContact CD2-CD1 3.93Å; L211-Y242 HydrophobicContact CD2-CD2 3.68Å; L211-Y242 HydrophobicContact CD2-CE1 4.2Å; L211-Y242 HydrophobicContact CD2-CE2 3.94Å; L211-Y242 HydrophobicContact CD2-CG 3.68Å; E237-Y242 WeakPolarHBondContact CA-O 3.47Å; E237-Y242 WeakPolarHBondContact CG-O 3.44Å; T240-Y242 WeakPolarHBondContact O-CD2 3.44Å; T240-Y242 PolarHBondContact O-N 2.93Å; T240-Y242 PolarHBondContact OG1-N 3.18Å; T240-Y242 VanDerWaalsContact OG1-N 3.14Å; Y242-V375 HydrophobicContact CD2-CG1 4.21Å; Y242-V375 HydrophobicContact CD2-CG2 4.35Å; Y242-V375 HydrophobicContact CE2-CG1 4.03Å
243Y96Very high88.6Confident39 Ų3924.6 Ų24.615%0.15312%0.12CC..PPolyproline II helixtrans-65.1143176.6-67.8-57.3000112.2R208 M209 F210 G257 K259 S270 V271R208-Y243 HydrophobicContact CB-CD1 4.12Å; R208-Y243 HydrophobicContact CB-CE1 3.57Å; R208-Y243 HydrophobicContact CB-CE2 4.41Å; R208-Y243 WeakPolarHBondContact O-CE2 3.22Å; R208-Y243 PolarHBondContact O-OH 3Å; M209-Y243 WeakPolarHBondContact O-CD2 2.94Å; M209-Y243 PolarHBondContact O-N 3.43Å; F210-Y243 HydrophobicContact CD1-CD2 4.18Å; F210-Y243 AromaticContact CD2-CD2 3.89Å; F210-Y243 HydrophobicContact CD2-CD2 3.89Å; F210-Y243 HydrophobicContact CD2-CE2 4.33Å; F210-Y243 HydrophobicContact CE1-CD2 4.24Å; F210-Y243 AromaticContact CE2-CD2 3.94Å; F210-Y243 HydrophobicContact CE2-CD2 3.94Å; F210-Y243 HydrophobicContact CE2-CE2 4.35Å; F210-Y243 HydrophobicContact CG-CD2 4.02Å; F210-Y243 HydrophobicContact CZ-CD2 4.13Å; Y243-G257 WeakPolarHBondContact CE1-O 3.48Å; Y243-K259 HydrophobicContact CD1-CB 4.05Å; Y243-K259 HydrophobicContact CD1-CG 4.37Å; Y243-K259 HydrophobicContact CD2-CB 4.05Å; Y243-K259 HydrophobicContact CE1-CB 3.88Å; Y243-K259 HydrophobicContact CE1-CG 3.72Å; Y243-K259 HydrophobicContact CE2-CB 3.92Å; Y243-K259 HydrophobicContact CE2-CG 4.12Å; Y243-K259 HydrophobicContact CG-CB 4.15Å; Y243-S270 VanDerWaalsContact O-CA 3.32Å; Y243-S270 WeakPolarHBondContact O-CA 3.25Å; Y243-S270 VanDerWaalsContact O-CB 3.3Å; Y243-S270 WeakPolarHBondContact O-CB 3.34Å; Y243-V271 PolarHBondContact O-N 2.81Å
244T97.4Very high87.6Confident0 Ų027 Ų270%013%0.13CC..PPolyproline II helixtrans-92.5135.9168.9590000110.4R233 I236 E237 G260 V271R233-T244 HydrophobicContact CB-CG2 4.3Å; R233-T244 HydrophobicContact CG-CG2 4.44Å; R233-T244 PolarHBondContact NE-OG1 3.32Å; R233-T244 PolarHBondContact NH2-O 3.25Å; R233-T244 PolarHBondContact NH2-OG1 3.01Å; I236-T244 HydrophobicContact CB-CG2 4.16Å; I236-T244 HydrophobicContact CG2-CG2 3.83Å; E237-T244 HydrophobicContact CG-CG2 3.75Å; E237-T244 PolarHBondContact OE1-N 2.97Å; E237-T244 PolarHBondContact OE1-OG1 2.73Å; T244-G260 WeakPolarHBondContact O-CA 3.34Å; T244-V271 HydrophobicContact CG2-CG1 3.99Å
245G96.6Very high86Confident1 Ų129.1 Ų29.11%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-84.1172.9173.700000111.8S270 C272 K274G245-S270 PolarHBondContact N-OG 2.99Å; G245-C272 PolarHBondContact N-O 2.87Å; G245-K274 PolarHBondContact O-N 3.02Å
246S94.6Very high84.8Confident9 Ų932.2 Ų32.26%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-141.2137.9174.5176.40000109.5Y248 E261 W265S246-Y248 WeakPolarHBondContact CB-O 3.29Å; S246-Y248 PolarHBondContact O-N 3.32Å; S246-Y248 PolarHBondContact OG-N 2.9Å; S246-Y248 VanDerWaalsContact OG-N 3.15Å; S246-Y248 PolarHBondContact OG-O 2.93Å; S246-E261 VanDerWaalsContact CB-OE1 3.27Å; S246-E261 WeakPolarHBondContact CB-OE1 3.3Å; S246-W265 WeakPolarHBondContact O-CB 3.33Å
247F91.5Very high83.9Confident57 Ų5733 Ų3325%0.2516%0.162CC..SBendtrans-63.9-23171.2-167.9-83.5000111.4W265 V273 K274 E277F247-W265 AromaticContact CD2-CD2 3.94Å; F247-W265 HydrophobicContact CD2-CD2 3.94Å; F247-W265 AromaticContact CD2-CE2 3.78Å; F247-W265 HydrophobicContact CD2-CE3 4.04Å; F247-W265 AromaticContact CD2-CH2 3.78Å; F247-W265 HydrophobicContact CD2-CH2 3.78Å; F247-W265 AromaticContact CD2-CZ2 3.72Å; F247-W265 HydrophobicContact CD2-CZ2 3.72Å; F247-W265 AromaticContact CD2-CZ3 3.95Å; F247-W265 HydrophobicContact CD2-CZ3 3.95Å; F247-W265 HydrophobicContact CE2-CD2 4.37Å; F247-W265 AromaticContact CE2-CE2 3.77Å; F247-W265 AromaticContact CE2-CH2 3.42Å; F247-W265 HydrophobicContact CE2-CH2 3.42Å; F247-W265 VanDerWaalsContact CE2-CH2 3.42Å; F247-W265 AromaticContact CE2-CZ2 3.27Å; F247-W265 HydrophobicContact CE2-CZ2 3.27Å; F247-W265 HydrophobicContact CE2-CZ3 4.06Å; F247-W265 HydrophobicContact CZ-CZ2 4.08Å; F247-V273 HydrophobicContact CB-CG1 4.39Å; F247-K274 WeakPolarHBondContact CB-O 3.43Å; F247-K274 PolarHBondContact N-O 2.8Å; F247-E277 HydrophobicContact CD1-CG 4.32Å; F247-E277 HydrophobicContact CE1-CG 4.04Å; F247-E277 HydrophobicContact CE2-CG 4.41Å; F247-E277 HydrophobicContact CZ-CG 4.08Å
248Y87.7Confident83.4Confident82 Ų8233.1 Ų33.132%0.32216%0.162SC..SBendtrans-110.9165.9179.3-42.6-74.1000110.4S246 H276 E277S246-Y248 WeakPolarHBondContact CB-O 3.29Å; S246-Y248 PolarHBondContact O-N 3.32Å; S246-Y248 PolarHBondContact OG-N 2.9Å; S246-Y248 VanDerWaalsContact OG-N 3.15Å; S246-Y248 PolarHBondContact OG-O 2.93Å; Y248-H276 HydrophobicContact CE2-CB 4.2Å; Y248-H276 AromaticContact CE2-CD2 3.71Å; Y248-H276 WeakPolarHBondContact OH-CA 3.14Å; Y248-H276 WeakPolarHBondContact OH-CB 3.32Å; Y248-H276 PolarHBondContact OH-N 3.45Å; Y248-E277 PolarHBondContact OH-N 3.02Å; Y248-E277 PolarHBondContact OH-OE1 2.82Å
249F80.9Confident83.2Confident128 Ų12836.3 Ų36.356%0.56118%0.176SC*.  trans-111118.5170.5171.2-112.9000110.9E261 K262F249-E261 HydrophobicContact CD2-CB 4.23Å; F249-E261 WeakPolarHBondContact CD2-O 3.42Å; F249-K262 HydrophobicContact CD2-CG 4.14Å; F249-K262 HydrophobicContact CE2-CD 4.41Å; F249-K262 HydrophobicContact CE2-CG 3.51Å; F249-K262 HydrophobicContact CZ-CG 4.35Å
250D73.1Confident83.2Confident37 Ų3736.3 Ų36.320%0.19818%0.176CC..  trans-118103.3169.1-172.9-28.6000110.1S252 L253 Y254 E261 H311D250-S252 PolarHBondContact O-N 2.89Å; D250-S252 WeakPolarHBondContact OD1-CA 3.38Å; D250-S252 VanDerWaalsContact OD1-CB 3.24Å; D250-S252 WeakPolarHBondContact OD1-CB 3.41Å; D250-S252 PolarHBondContact OD1-N 2.76Å; D250-S252 PolarHBondContact OD1-OG 3.23Å; D250-L253 HydrophobicContact CB-CB 4.07Å; D250-L253 HydrophobicContact CB-CD1 4.01Å; D250-L253 HydrophobicContact CB-CG 4Å; D250-L253 PolarHBondContact O-N 3.18Å; D250-L253 VanDerWaalsContact O-N 3.08Å; D250-L253 PolarHBondContact OD1-N 3.39Å; D250-Y254 PolarHBondContact O-N 2.03Å; D250-E261 PolarHBondContact N-OE2 3.18Å; D250-H311 IonicContact OD2-CE1 3.77Å; D250-H311 PolarHBondContact OD2-CE1 3.07Å; D250-H311 VanDerWaalsContact OD2-CE1 3.23Å; D250-H311 IonicContact OD2-NE2 3.19Å; D250-H311 PolarHBondContact OD2-NE2 2.63Å
251G66.4Low82.9Confident22 Ų2236 Ų3623%0.22717%0.174CC..Hα-helixtrans-59.7-27.2178.600000113.7N255G251-N255 WeakPolarHBondContact O-CB 3.39Å; G251-N255 PolarHBondContact O-N 2.68Å; G251-N255 VanDerWaalsContact O-N 3.1Å; G251-N255 PolarHBondContact O-ND2 3.43Å
252S67.3Low82.6Confident38 Ų3842 Ų4227%0.26620%0.2SC..Hα-helixtrans-71.1-39.1176.181.10000111.4D250 R256D250-S252 PolarHBondContact O-N 2.89Å; D250-S252 WeakPolarHBondContact OD1-CA 3.38Å; D250-S252 VanDerWaalsContact OD1-CB 3.24Å; D250-S252 WeakPolarHBondContact OD1-CB 3.41Å; D250-S252 PolarHBondContact OD1-N 2.76Å; D250-S252 PolarHBondContact OD1-OG 3.23Å; S252-R256 WeakPolarHBondContact O-CG 3.41Å; S252-R256 PolarHBondContact O-N 3.1Å; S252-R256 VanDerWaalsContact O-N 3.08Å
253L71.5Confident82.4Confident13 Ų1340.8 Ų40.87%0.06820%0.197CC..Hα-helixtrans-70.4-39.6174.1-66.9-177000111.9T230 D250 N255 R256 G257 F258 E261 F393T230-L253 HydrophobicContact CG2-CD2 3.59Å; D250-L253 HydrophobicContact CB-CB 4.07Å; D250-L253 HydrophobicContact CB-CD1 4.01Å; D250-L253 HydrophobicContact CB-CG 4Å; D250-L253 PolarHBondContact O-N 3.18Å; D250-L253 VanDerWaalsContact O-N 3.08Å; D250-L253 PolarHBondContact OD1-N 3.39Å; L253-N255 VanDerWaalsContact C-N 3.29Å; L253-N255 PolarHBondContact O-N 2.72Å; L253-R256 CarbonylContact O-C 3.56Å; L253-R256 VanDerWaalsContact O-CA 3.31Å; L253-R256 WeakPolarHBondContact O-CA 3.32Å; L253-R256 WeakPolarHBondContact O-CB 3.44Å; L253-R256 PolarHBondContact O-N 2.67Å; L253-G257 PolarHBondContact O-N 2.8Å; L253-F258 HydrophobicContact CB-CB 4.34Å; L253-F258 HydrophobicContact CB-CD2 4.01Å; L253-F258 HydrophobicContact CD2-CD2 4.17Å; L253-F258 HydrophobicContact CD2-CE2 4.28Å; L253-F258 WeakPolarHBondContact O-CB 3.39Å; L253-F258 PolarHBondContact O-N 3.27Å; L253-F258 VanDerWaalsContact O-N 3.13Å; L253-E261 HydrophobicContact CB-CG 3.95Å; L253-F393 HydrophobicContact CD2-CE1 4.46Å
254Y74.1Confident82.2Confident56 Ų5645.8 Ų45.822%0.2222%0.217CC..Hα-helixtrans-57-46.7175.8174.6-99.9000111.6D250 R256 G257 F258 K259 E261 K262D250-Y254 PolarHBondContact O-N 2.03Å; Y254-R256 VanDerWaalsContact C-N 3.28Å; Y254-R256 PolarHBondContact O-N 3.49Å; Y254-G257 PolarHBondContact O-N 3.14Å; Y254-F258 WeakPolarHBondContact CA-O 3.37Å; Y254-K259 HydrophobicContact CD2-CD 4.31Å; Y254-K259 HydrophobicContact CE2-CB 4.46Å; Y254-K259 HydrophobicContact CE2-CD 3.81Å; Y254-K259 PolarHBondContact O-NZ 2.94Å; Y254-E261 HydrophobicContact CD2-CB 4.24Å; Y254-E261 HydrophobicContact CG-CB 4.49Å; Y254-K262 HydrophobicContact CD1-CD 4.07Å; Y254-K262 HydrophobicContact CD1-CG 4.38Å; Y254-K262 HydrophobicContact CD2-CB 3.94Å; Y254-K262 HydrophobicContact CD2-CD 3.88Å; Y254-K262 HydrophobicContact CD2-CG 3.55Å; Y254-K262 HydrophobicContact CE1-CD 3.85Å; Y254-K262 HydrophobicContact CE2-CB 3.85Å; Y254-K262 HydrophobicContact CE2-CD 3.61Å; Y254-K262 HydrophobicContact CE2-CG 3.7Å; Y254-K262 HydrophobicContact CG-CD 4.1Å; Y254-K262 HydrophobicContact CG-CG 3.91Å
255N59.8Low82Confident54 Ų5447.6 Ų47.629%0.28922%0.223SC..Hα-helixtrans-64.3-39177.2-67.5-30.2000109Y19 L21 G251 L253 G257Y19-N255 HydrophobicContact CD2-CB 3.75Å; Y19-N255 HydrophobicContact CE1-CB 4.49Å; Y19-N255 WeakPolarHBondContact CE1-O 3.2Å; Y19-N255 VanDerWaalsContact CE2-C 3.45Å; Y19-N255 HydrophobicContact CE2-CB 3.22Å; L21-N255 HydrophobicContact CD1-CB 4.03Å; L21-N255 WeakPolarHBondContact CD1-ND2 3.13Å; G251-N255 WeakPolarHBondContact O-CB 3.39Å; G251-N255 PolarHBondContact O-N 2.68Å; G251-N255 VanDerWaalsContact O-N 3.1Å; G251-N255 PolarHBondContact O-ND2 3.43Å; L253-N255 VanDerWaalsContact C-N 3.29Å; L253-N255 PolarHBondContact O-N 2.72Å; N255-G257 PolarHBondContact O-N 2.97Å
256R69.2Low81.9Confident66 Ų6651.8 Ų51.825%0.24924%0.241CC..THydrogen-bonded Turntrans-63.79.4173-68166.9-178.4-115.6-2.4116.5Y19 S252 L253 Y254 H392 F393Y19-R256 HydrophobicContact CE2-CG 4.39Å; Y19-R256 WeakPolarHBondContact OH-CA 3.47Å; Y19-R256 VanDerWaalsContact OH-CB 3.23Å; Y19-R256 WeakPolarHBondContact OH-CB 3.2Å; Y19-R256 WeakPolarHBondContact OH-CG 3.46Å; Y19-R256 PolarHBondContact OH-N 3.1Å; S252-R256 WeakPolarHBondContact O-CG 3.41Å; S252-R256 PolarHBondContact O-N 3.1Å; S252-R256 VanDerWaalsContact O-N 3.08Å; L253-R256 CarbonylContact O-C 3.56Å; L253-R256 VanDerWaalsContact O-CA 3.31Å; L253-R256 WeakPolarHBondContact O-CA 3.32Å; L253-R256 WeakPolarHBondContact O-CB 3.44Å; L253-R256 PolarHBondContact O-N 2.67Å; Y254-R256 VanDerWaalsContact C-N 3.28Å; Y254-R256 PolarHBondContact O-N 3.49Å; R256-H392 PolarHBondContact NH1-O 3.25Å; R256-F393 HydrophobicContact CB-CE1 3.59Å; R256-F393 HydrophobicContact CB-CZ 3.93Å; R256-F393 HydrophobicContact CG-CE1 3.93Å
257G76.1Confident81.9Confident19 Ų1952.2 Ų52.220%0.19625%0.245CC..THydrogen-bonded Turntrans97.1-5.1174.500000114.2Y243 L253 Y254 N255 K259Y243-G257 WeakPolarHBondContact CE1-O 3.48Å; L253-G257 PolarHBondContact O-N 2.8Å; Y254-G257 PolarHBondContact O-N 3.14Å; N255-G257 PolarHBondContact O-N 2.97Å; G257-K259 PolarHBondContact O-N 3.05Å
258F84.5Confident82Confident1 Ų149.9 Ų49.90%0.00424%0.237CC..  trans-75.373.4172.8-69-77000110.5T230 R233 H234 E237 L253 Y254 G260 E261 F393T230-F258 HydrophobicContact CG2-CE2 3.57Å; T230-F258 HydrophobicContact CG2-CZ 3.88Å; R233-F258 HydrophobicContact CB-CD1 4.28Å; R233-F258 HydrophobicContact CB-CE1 3.47Å; R233-F258 VanDerWaalsContact CB-CE1 3.47Å; R233-F258 HydrophobicContact CB-CZ 4.04Å; H234-F258 HydrophobicContact CB-CZ 4Å; E237-F258 HydrophobicContact CG-CE1 4.5Å; E237-F258 WeakPolarHBondContact OE1-CD1 3.31Å; L253-F258 HydrophobicContact CB-CB 4.34Å; L253-F258 HydrophobicContact CB-CD2 4.01Å; L253-F258 HydrophobicContact CD2-CD2 4.17Å; L253-F258 HydrophobicContact CD2-CE2 4.28Å; L253-F258 WeakPolarHBondContact O-CB 3.39Å; L253-F258 PolarHBondContact O-N 3.27Å; L253-F258 VanDerWaalsContact O-N 3.13Å; Y254-F258 WeakPolarHBondContact CA-O 3.37Å; F258-G260 PolarHBondContact O-N 2.75Å; F258-G260 VanDerWaalsContact O-N 3.1Å; F258-E261 HydrophobicContact CB-CG 3.89Å; F258-E261 WeakPolarHBondContact O-CB 3.13Å; F258-E261 VanDerWaalsContact O-CG 3.26Å; F258-E261 WeakPolarHBondContact O-CG 3.21Å; F258-E261 PolarHBondContact O-N 2.87Å; F258-F393 HydrophobicContact CD2-CE1 4.27Å; F258-F393 HydrophobicContact CD2-CZ 4.23Å; F258-F393 HydrophobicContact CE2-CD1 4.25Å; F258-F393 AromaticContact CE2-CE1 3.52Å; F258-F393 HydrophobicContact CE2-CE1 3.52Å; F258-F393 HydrophobicContact CE2-CE2 4.04Å; F258-F393 AromaticContact CE2-CZ 3.42Å; F258-F393 HydrophobicContact CE2-CZ 3.42Å; F258-F393 VanDerWaalsContact CE2-CZ 3.42Å; F258-F393 HydrophobicContact CZ-CE1 4.47Å; F258-F393 HydrophobicContact CZ-CE2 4.3Å; F258-F393 HydrophobicContact CZ-CZ 4.12Å
259K87.3Confident82.4Confident67 Ų6750.4 Ų50.429%0.29124%0.238SC..G310 helixtrans-62.4-22.8-173.9-59.2-52.3-179.9-169.80113.1F210 Y243 Y254 G257 E261 K262F210-K259 HydrophobicContact CE2-CB 4.44Å; F210-K259 HydrophobicContact CZ-CB 4.28Å; Y243-K259 HydrophobicContact CD1-CB 4.05Å; Y243-K259 HydrophobicContact CD1-CG 4.37Å; Y243-K259 HydrophobicContact CD2-CB 4.05Å; Y243-K259 HydrophobicContact CE1-CB 3.88Å; Y243-K259 HydrophobicContact CE1-CG 3.72Å; Y243-K259 HydrophobicContact CE2-CB 3.92Å; Y243-K259 HydrophobicContact CE2-CG 4.12Å; Y243-K259 HydrophobicContact CG-CB 4.15Å; Y254-K259 HydrophobicContact CD2-CD 4.31Å; Y254-K259 HydrophobicContact CE2-CB 4.46Å; Y254-K259 HydrophobicContact CE2-CD 3.81Å; Y254-K259 PolarHBondContact O-NZ 2.94Å; G257-K259 PolarHBondContact O-N 3.05Å; K259-E261 PolarHBondContact O-N 3.37Å; K259-K262 PolarHBondContact O-N 2.95Å
260G91.6Very high83.2Confident1 Ų144.9 Ų44.91%0.0122%0.215CC..G310 helixtrans-67.5-8.9173.500000115.6T244 F258 K262 D263T244-G260 WeakPolarHBondContact O-CA 3.34Å; F258-G260 PolarHBondContact O-N 2.75Å; F258-G260 VanDerWaalsContact O-N 3.1Å; G260-K262 VanDerWaalsContact C-N 3.31Å; G260-K262 PolarHBondContact O-N 2.95Å; G260-D263 PolarHBondContact O-N 3.33Å
261E88.6Confident84.4Confident6 Ų643.6 Ų43.63%0.02821%0.209CC..G310 helixtrans-61.8-36172.9-73.5-64.2138.400113.4R233 S246 F249 D250 L253 Y254 F258 K259R233-E261 IonicContact CZ-OE1 3.37Å; R233-E261 IonicContact NH1-OE1 2.8Å; R233-E261 PolarHBondContact NH1-OE1 3.48Å; R233-E261 IonicContact NH2-OE1 3.05Å; R233-E261 PolarHBondContact NH2-OE1 2.96Å; S246-E261 VanDerWaalsContact CB-OE1 3.27Å; S246-E261 WeakPolarHBondContact CB-OE1 3.3Å; F249-E261 HydrophobicContact CD2-CB 4.23Å; F249-E261 WeakPolarHBondContact CD2-O 3.42Å; D250-E261 PolarHBondContact N-OE2 3.18Å; L253-E261 HydrophobicContact CB-CG 3.95Å; Y254-E261 HydrophobicContact CD2-CB 4.24Å; Y254-E261 HydrophobicContact CG-CB 4.49Å; F258-E261 HydrophobicContact CB-CG 3.89Å; F258-E261 WeakPolarHBondContact O-CB 3.13Å; F258-E261 VanDerWaalsContact O-CG 3.26Å; F258-E261 WeakPolarHBondContact O-CG 3.21Å; F258-E261 PolarHBondContact O-N 2.87Å; K259-E261 PolarHBondContact O-N 3.37Å
262K85.8Confident85.9Confident129 Ų12942.6 Ų42.656%0.56120%0.198SC*.SBendtrans-90.7-9.1179.8-77.8-167.2-176.6-1800113.3F249 Y254 K259 G260F249-K262 HydrophobicContact CD2-CG 4.14Å; F249-K262 HydrophobicContact CE2-CD 4.41Å; F249-K262 HydrophobicContact CE2-CG 3.51Å; F249-K262 HydrophobicContact CZ-CG 4.35Å; Y254-K262 HydrophobicContact CD1-CD 4.07Å; Y254-K262 HydrophobicContact CD1-CG 4.38Å; Y254-K262 HydrophobicContact CD2-CB 3.94Å; Y254-K262 HydrophobicContact CD2-CD 3.88Å; Y254-K262 HydrophobicContact CD2-CG 3.55Å; Y254-K262 HydrophobicContact CE1-CD 3.85Å; Y254-K262 HydrophobicContact CE2-CB 3.85Å; Y254-K262 HydrophobicContact CE2-CD 3.61Å; Y254-K262 HydrophobicContact CE2-CG 3.7Å; Y254-K262 HydrophobicContact CG-CD 4.1Å; Y254-K262 HydrophobicContact CG-CG 3.91Å; K259-K262 PolarHBondContact O-N 2.95Å; G260-K262 VanDerWaalsContact C-N 3.31Å; G260-K262 PolarHBondContact O-N 2.95Å
263D90.5Very high87.3Confident32 Ų3240.9 Ų40.917%0.17119%0.186CC..SBendtrans-80.8147.2179.9-165.744.5000109.7F210 G260 W265 S267 R269F210-D263 HydrophobicContact CE1-CB 3.86Å; F210-D263 HydrophobicContact CZ-CB 4.07Å; G260-D263 PolarHBondContact O-N 3.33Å; D263-W265 PolarHBondContact O-N 2.9Å; D263-S267 WeakPolarHBondContact OD2-CB 3.37Å; D263-S267 PolarHBondContact OD2-OG 3.31Å; D263-R269 IonicContact OD1-NH1 3.44Å
264Y92.4Very high88.6Confident144 Ų14440.6 Ų40.657%0.56518%0.184SC*.  trans-63.4123.2175177.7-125.4000108.9K266 S267Y264-K266 HydrophobicContact CD1-CB 4.15Å; Y264-K266 HydrophobicContact CE1-CB 3.55Å; Y264-K266 HydrophobicContact CE1-CG 4.29Å; Y264-K266 PolarHBondContact O-N 2.87Å; Y264-S267 WeakPolarHBondContact O-CA 3.18Å; Y264-S267 WeakPolarHBondContact O-CB 3.48Å; Y264-S267 PolarHBondContact O-N 2.88Å; Y264-S267 PolarHBondContact O-OG 3.3Å; Y264-S267 VanDerWaalsContact O-OG 3.07Å
265W92.7Very high89.7Confident38 Ų3837.9 Ų37.914%0.14417%0.174CC..THydrogen-bonded Turntrans-63.1-22-169.267.9-92.4000114.5L218 S246 F247 D263 V273 M285 F286L218-W265 HydrophobicContact CD2-CE3 4.15Å; L218-W265 HydrophobicContact CD2-CZ3 3.7Å; S246-W265 WeakPolarHBondContact O-CB 3.33Å; F247-W265 AromaticContact CD2-CD2 3.94Å; F247-W265 HydrophobicContact CD2-CD2 3.94Å; F247-W265 AromaticContact CD2-CE2 3.78Å; F247-W265 HydrophobicContact CD2-CE3 4.04Å; F247-W265 AromaticContact CD2-CH2 3.78Å; F247-W265 HydrophobicContact CD2-CH2 3.78Å; F247-W265 AromaticContact CD2-CZ2 3.72Å; F247-W265 HydrophobicContact CD2-CZ2 3.72Å; F247-W265 AromaticContact CD2-CZ3 3.95Å; F247-W265 HydrophobicContact CD2-CZ3 3.95Å; F247-W265 HydrophobicContact CE2-CD2 4.37Å; F247-W265 AromaticContact CE2-CE2 3.77Å; F247-W265 AromaticContact CE2-CH2 3.42Å; F247-W265 HydrophobicContact CE2-CH2 3.42Å; F247-W265 VanDerWaalsContact CE2-CH2 3.42Å; F247-W265 AromaticContact CE2-CZ2 3.27Å; F247-W265 HydrophobicContact CE2-CZ2 3.27Å; F247-W265 HydrophobicContact CE2-CZ3 4.06Å; F247-W265 HydrophobicContact CZ-CZ2 4.08Å; D263-W265 PolarHBondContact O-N 2.9Å; W265-V273 HydrophobicContact CB-CG1 3.92Å; W265-V273 HydrophobicContact CE3-CG1 4.19Å; W265-V273 VanDerWaalsContact O-CG2 3.32Å; W265-V273 WeakPolarHBondContact O-CG2 2.78Å; W265-M285 HydrophobicContact CH2-SD 4.18Å; W265-F286 HydrophobicContact CE3-CZ 4.28Å; W265-F286 HydrophobicContact CZ3-CE1 4.12Å; W265-F286 HydrophobicContact CZ3-CE2 4.39Å; W265-F286 AromaticContact CZ3-CZ 3.72Å; W265-F286 HydrophobicContact CZ3-CZ 3.72Å
266K94.5Very high91.4Very high88 Ų8837.2 Ų37.238%0.38317%0.168SC..THydrogen-bonded Turntrans-9516.5170.9-52.6-172.6176.7-172.50113.9L218 Y264 G268 M285L218-K266 HydrophobicContact CD2-CG 4.46Å; Y264-K266 HydrophobicContact CD1-CB 4.15Å; Y264-K266 HydrophobicContact CE1-CB 3.55Å; Y264-K266 HydrophobicContact CE1-CG 4.29Å; Y264-K266 PolarHBondContact O-N 2.87Å; K266-G268 PolarHBondContact O-N 3.48Å; K266-M285 PolarHBondContact NZ-SD 3.22Å; K266-M285 VanDerWaalsContact NZ-SD 3.44Å
267S94.3Very high92.7Very high19 Ų1936.8 Ų36.813%0.13317%0.169CC..SBendtrans-65.5-20.9-179.469.30000113.5R214 D263 Y264 R269R214-S267 WeakPolarHBondContact CD-O 3.2Å; D263-S267 WeakPolarHBondContact OD2-CB 3.37Å; D263-S267 PolarHBondContact OD2-OG 3.31Å; Y264-S267 WeakPolarHBondContact O-CA 3.18Å; Y264-S267 WeakPolarHBondContact O-CB 3.48Å; Y264-S267 PolarHBondContact O-N 2.88Å; Y264-S267 PolarHBondContact O-OG 3.3Å; Y264-S267 VanDerWaalsContact O-OG 3.07Å; S267-R269 PolarHBondContact O-N 3.24Å; S267-R269 WeakPolarHBondContact OG-CB 2.68Å; S267-R269 PolarHBondContact OG-N 3.08Å
268G94.4Very high93.6Very high8 Ų836.9 Ų36.98%0.08217%0.167CC..SBendtrans72.26.5-170.200000113.9R214 S215 K266R214-G268 CarbonylContact C-O 3.47Å; R214-G268 WeakPolarHBondContact CA-O 3.2Å; S215-G268 PolarHBondContact N-O 2.95Å; S215-G268 WeakPolarHBondContact O-CA 3.32Å; K266-G268 PolarHBondContact O-N 3.48Å
269R95.8Very high94.2Very high93 Ų9338.2 Ų38.235%0.35118%0.181SC..  trans-90.5-13-175.8-61.2-17969.4-165.12.2114.2F210 L211 R214 D263 S267F210-R269 HydrophobicContact CB-CB 4.18Å; F210-R269 HydrophobicContact CD1-CB 3.83Å; F210-R269 WeakPolarHBondContact CD1-O 3.39Å; F210-R269 HydrophobicContact CG-CB 4.29Å; L211-R269 WeakPolarHBondContact CB-O 3.32Å; L211-R269 PolarHBondContact N-O 3.05Å; R214-R269 HydrophobicContact CG-CG 4.03Å; D263-R269 IonicContact OD1-NH1 3.44Å; S267-R269 PolarHBondContact O-N 3.24Å; S267-R269 WeakPolarHBondContact OG-CB 2.68Å; S267-R269 PolarHBondContact OG-N 3.08Å
270S97Very high94.6Very high11 Ų1139.4 Ų39.48%0.07719%0.188CC..SBendtrans-102151.9178.259.80000111.1L211 Y243 G245 C272L211-S270 WeakPolarHBondContact CD1-O 3.44Å; Y243-S270 VanDerWaalsContact O-CA 3.32Å; Y243-S270 WeakPolarHBondContact O-CA 3.25Å; Y243-S270 VanDerWaalsContact O-CB 3.3Å; Y243-S270 WeakPolarHBondContact O-CB 3.34Å; G245-S270 PolarHBondContact N-OG 2.99Å; S270-C272 VanDerWaalsContact C-N 3.35Å
271V97.6Very high94.9Very high11 Ų1146.9 Ų46.97%0.06722%0.22CC..SBendtrans-70.4-32-176.769.40000112.8I236 Y243 T244 L373 V375I236-V271 HydrophobicContact CG2-CG1 3.72Å; Y243-V271 PolarHBondContact O-N 2.81Å; T244-V271 HydrophobicContact CG2-CG1 3.99Å; V271-L373 HydrophobicContact CG2-CB 4.25Å; V271-L373 HydrophobicContact CG2-CD1 4.03Å; V271-L373 HydrophobicContact CG2-CD2 4.43Å; V271-L373 HydrophobicContact CG2-CG 4.47Å; V271-V375 HydrophobicContact CG2-CG2 3.84Å
272C98.1Very high95.2Very high1 Ų149.3 Ų49.31%0.00723%0.231CC..  trans-159.2162.6170.765.80000109.7V219 G245 S270 L373V219-C272 HydrophobicContact CB-CB 4.14Å; V219-C272 HydrophobicContact CG1-CB 4.32Å; V219-C272 CarbonylContact O-C 3.5Å; V219-C272 VanDerWaalsContact O-CA 3.29Å; V219-C272 WeakPolarHBondContact O-CA 3.23Å; V219-C272 WeakPolarHBondContact O-CB 3.31Å; G245-C272 PolarHBondContact N-O 2.87Å; S270-C272 VanDerWaalsContact C-N 3.35Å; C272-L373 HydrophobicContact CB-CD2 4Å
273V98.1Very high95.8Very high1 Ų143.2 Ų43.21%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-116.5121.7-176.5-179.80000110.9L218 V219 A220 L221 F247 W265 F286L218-V273 HydrophobicContact CD1-CG2 3.94Å; V219-V273 PolarHBondContact O-N 3.3Å; A220-V273 CarbonylContact C-O 3.44Å; A220-V273 WeakPolarHBondContact CA-O 2.87Å; L221-V273 PolarHBondContact N-O 2.79Å; F247-V273 HydrophobicContact CB-CG1 4.39Å; W265-V273 HydrophobicContact CB-CG1 3.92Å; W265-V273 HydrophobicContact CE3-CG1 4.19Å; W265-V273 VanDerWaalsContact O-CG2 3.32Å; W265-V273 WeakPolarHBondContact O-CG2 2.78Å; V273-F286 HydrophobicContact CB-CE1 4.05Å; V273-F286 HydrophobicContact CG1-CE1 4.41Å
274K97.7Very high96.1Very high7 Ų746.3 Ų46.33%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-70.5132.5174.7-179.872.1-160.292.40111.6L221 S223 N229 G245 F247 H276L221-K274 HydrophobicContact CB-CD 4.42Å; L221-K274 HydrophobicContact CD2-CD 4.01Å; L221-K274 HydrophobicContact CG-CD 4.02Å; L221-K274 WeakPolarHBondContact O-CA 3.41Å; L221-K274 WeakPolarHBondContact O-CD 3.43Å; L221-K274 PolarHBondContact O-NZ 2.92Å; S223-K274 WeakPolarHBondContact OG-CE 3.25Å; S223-K274 PolarHBondContact OG-NZ 3.03Å; N229-K274 HydrophobicContact CB-CD 4.02Å; N229-K274 WeakPolarHBondContact OD1-CE 3.38Å; G245-K274 PolarHBondContact O-N 3.02Å; F247-K274 WeakPolarHBondContact CB-O 3.43Å; F247-K274 PolarHBondContact N-O 2.8Å; K274-H276 PolarHBondContact NZ-CE1 3.29Å
275T97.2Very high96.2Very high0 Ų043.3 Ų43.30%021%0.21CC..EExtended strand (participates in β ladder)trans-144.6150.1175-176.70000113.2A220 L221 E277 F286 W343A220-T275 HydrophobicContact CB-CG2 4.1Å; L221-T275 PolarHBondContact O-N 3.39Å; L221-T275 VanDerWaalsContact O-N 3.09Å; T275-E277 WeakPolarHBondContact OG1-CB 3.1Å; T275-E277 WeakPolarHBondContact OG1-CG 3.38Å; T275-E277 PolarHBondContact OG1-N 3.49Å; T275-F286 HydrophobicContact CG2-CE2 4.19Å; T275-F286 HydrophobicContact CG2-CZ 4.27Å; T275-W343 HydrophobicContact CG2-CH2 4.18Å; T275-W343 HydrophobicContact CG2-CZ2 3.77Å
276H95.9Very high96.4Very high39 Ų3941.8 Ų41.818%0.18121%0.205CC..  trans-108.41.6169.2-66.1-59.2000112.1S223 N229 Y248 K274 S278 W335S223-H276 PolarHBondContact O-CE1 3.5Å; S223-H276 PolarHBondContact O-ND1 3.28Å; N229-H276 PolarHBondContact ND2-CE1 3.47Å; Y248-H276 HydrophobicContact CE2-CB 4.2Å; Y248-H276 AromaticContact CE2-CD2 3.71Å; Y248-H276 WeakPolarHBondContact OH-CA 3.14Å; Y248-H276 WeakPolarHBondContact OH-CB 3.32Å; Y248-H276 PolarHBondContact OH-N 3.45Å; K274-H276 PolarHBondContact NZ-CE1 3.29Å; H276-S278 PolarHBondContact O-OG 2.9Å; H276-W335 HydrophobicContact CB-CZ2 4.47Å
277E96Very high96.6Very high57 Ų5741.2 Ų41.227%0.26621%0.206SC..  trans-62.7143.1-178.7-61.1-48.6132.400111.3F247 Y248 T275 E282 W343F247-E277 HydrophobicContact CD1-CG 4.32Å; F247-E277 HydrophobicContact CE1-CG 4.04Å; F247-E277 HydrophobicContact CE2-CG 4.41Å; F247-E277 HydrophobicContact CZ-CG 4.08Å; Y248-E277 PolarHBondContact OH-N 3.02Å; Y248-E277 PolarHBondContact OH-OE1 2.82Å; T275-E277 WeakPolarHBondContact OG1-CB 3.1Å; T275-E277 WeakPolarHBondContact OG1-CG 3.38Å; T275-E277 PolarHBondContact OG1-N 3.49Å; E277-E282 HydrophobicContact CB-CB 3.76Å; E277-E282 HydrophobicContact CB-CG 4.09Å; E277-E282 HydrophobicContact CG-CB 4.26Å; E277-E282 HydrophobicContact CG-CG 4.15Å; E277-W343 PolarHBondContact O-NE1 2.91Å
278S95.9Very high96.8Very high22 Ų2240.6 Ų40.615%0.15420%0.202CC..  trans-131.90.3-176.2-43.50000112.7H276 H339 S342H276-S278 PolarHBondContact O-OG 2.9Å; S278-H339 PolarHBondContact OG-ND1 2.79Å; S278-S342 VanDerWaalsContact O-CB 3.31Å; S278-S342 WeakPolarHBondContact O-CB 3.23Å; S278-S342 PolarHBondContact O-OG 2.5Å
279G96.3Very high96.9Very high29 Ų2940.3 Ų40.330%0.29920%0.198SC..SBendtrans-76.5145.4177.900000111K281 E282 I283G279-K281 VanDerWaalsContact C-N 3.3Å; G279-K281 PolarHBondContact O-N 3.28Å; G279-E282 VanDerWaalsContact C-OE2 3.29Å; G279-E282 WeakPolarHBondContact CA-OE2 3.38Å; G279-E282 PolarHBondContact O-N 2.98Å; G279-I283 VanDerWaalsContact O-CG1 3.24Å; G279-I283 WeakPolarHBondContact O-CG1 2.93Å; G279-I283 PolarHBondContact O-N 3.48Å
280Q97.1Very high97.1Very high91 Ų9135.9 Ų35.943%0.42518%0.182SC..Hα-helixtrans-56.3-45.5-178.1176.7178.3-1.700111.6E282 I283 E284 F346Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 2.84Å; Q280-I283 PolarHBondContact O-N 2.92Å; Q280-E284 VanDerWaalsContact CG-CD 3.48Å; Q280-E284 HydrophobicContact CG-CG 4.22Å; Q280-E284 VanDerWaalsContact CG-OE1 3.25Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.41Å; Q280-E284 PolarHBondContact NE2-OE1 3.34Å; Q280-E284 WeakPolarHBondContact O-CB 3.35Å; Q280-E284 VanDerWaalsContact O-CG 3.32Å; Q280-E284 WeakPolarHBondContact O-CG 3.49Å; Q280-E284 PolarHBondContact O-N 2.83Å; Q280-F346 HydrophobicContact CB-CD1 4.23Å; Q280-F346 HydrophobicContact CB-CD2 4.12Å; Q280-F346 HydrophobicContact CB-CE1 4.21Å; Q280-F346 HydrophobicContact CB-CE2 4.11Å; Q280-F346 HydrophobicContact CB-CG 4.18Å; Q280-F346 HydrophobicContact CB-CZ 4.14Å; Q280-F346 VanDerWaalsContact CD-CE1 3.49Å; Q280-F346 HydrophobicContact CG-CB 4.48Å; Q280-F346 HydrophobicContact CG-CD1 3.65Å; Q280-F346 HydrophobicContact CG-CD2 4.39Å; Q280-F346 HydrophobicContact CG-CE1 3.83Å; Q280-F346 HydrophobicContact CG-CG 3.94Å; Q280-F346 HydrophobicContact CG-CZ 4.28Å
281K96.4Very high97.1Very high158 Ų15835.4 Ų35.469%0.68718%0.178SC*.Hα-helixtrans-59.7-43.7-178.9-70.1-176.7179.6178.80111.6G279 M285G279-K281 VanDerWaalsContact C-N 3.3Å; G279-K281 PolarHBondContact O-N 3.28Å; K281-M285 WeakPolarHBondContact O-CG 3.36Å; K281-M285 PolarHBondContact O-N 3.15Å
282E95.6Very high97.2Very high58 Ų5835 Ų3527%0.27118%0.176SC..Hα-helixtrans-69.9-40-179.9-64.270.8-153.900111.3E277 G279 Q280 M285 F286E277-E282 HydrophobicContact CB-CB 3.76Å; E277-E282 HydrophobicContact CB-CG 4.09Å; E277-E282 HydrophobicContact CG-CB 4.26Å; E277-E282 HydrophobicContact CG-CG 4.15Å; G279-E282 VanDerWaalsContact C-OE2 3.29Å; G279-E282 WeakPolarHBondContact CA-OE2 3.38Å; G279-E282 PolarHBondContact O-N 2.98Å; Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 2.84Å; E282-M285 WeakPolarHBondContact O-CB 3.12Å; E282-M285 PolarHBondContact O-N 3.49Å; E282-F286 VanDerWaalsContact O-CD2 3.28Å; E282-F286 WeakPolarHBondContact O-CD2 3.26Å
283I97.8Very high97.2Very high1 Ų135.3 Ų35.31%0.00518%0.177CC..Hα-helixtrans-63.1-46.9177.2-68.9167000110.7G279 Q280 M285 F286 W343 F346G279-I283 VanDerWaalsContact O-CG1 3.24Å; G279-I283 WeakPolarHBondContact O-CG1 2.93Å; G279-I283 PolarHBondContact O-N 3.48Å; Q280-I283 PolarHBondContact O-N 2.92Å; I283-M285 PolarHBondContact O-N 3.41Å; I283-F286 PolarHBondContact O-N 2.83Å; I283-F286 VanDerWaalsContact O-N 3.08Å; I283-W343 HydrophobicContact CB-CH2 4.37Å; I283-W343 HydrophobicContact CB-CZ3 4.34Å; I283-W343 HydrophobicContact CD1-CD2 4.15Å; I283-W343 HydrophobicContact CD1-CG 4.22Å; I283-W343 HydrophobicContact CG1-CD2 3.86Å; I283-W343 HydrophobicContact CG1-CE3 4.15Å; I283-W343 HydrophobicContact CG1-CG 4.45Å; I283-W343 HydrophobicContact CG1-CH2 4.04Å; I283-W343 HydrophobicContact CG1-CZ2 3.72Å; I283-W343 HydrophobicContact CG1-CZ3 4.21Å; I283-W343 HydrophobicContact CG2-CD2 4.31Å; I283-W343 HydrophobicContact CG2-CE3 3.81Å; I283-W343 HydrophobicContact CG2-CH2 4.34Å; I283-W343 HydrophobicContact CG2-CZ3 3.81Å; I283-F346 HydrophobicContact CB-CB 4.3Å; I283-F346 HydrophobicContact CD1-CB 4.36Å; I283-F346 HydrophobicContact CD1-CD2 4.26Å; I283-F346 HydrophobicContact CG2-CB 3.79Å
284E96.6Very high97.2Very high96 Ų9637.1 Ų37.145%0.44918%0.184SC..THydrogen-bonded Turntrans-68.4-11.1-178.1-71.7172.8171.700113.5Q280 F286Q280-E284 VanDerWaalsContact CG-CD 3.48Å; Q280-E284 HydrophobicContact CG-CG 4.22Å; Q280-E284 VanDerWaalsContact CG-OE1 3.25Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.41Å; Q280-E284 PolarHBondContact NE2-OE1 3.34Å; Q280-E284 WeakPolarHBondContact O-CB 3.35Å; Q280-E284 VanDerWaalsContact O-CG 3.32Å; Q280-E284 WeakPolarHBondContact O-CG 3.49Å; Q280-E284 PolarHBondContact O-N 2.83Å; E284-F286 VanDerWaalsContact C-N 3.26Å
285M95.4Very high97.1Very high82 Ų8237.5 Ų37.540%0.40419%0.186SC..THydrogen-bonded Turntrans-74-15.9170.7-68.7-178.1-156.400113.5W265 K266 K281 E282 I283W265-M285 HydrophobicContact CH2-SD 4.18Å; K266-M285 PolarHBondContact NZ-SD 3.22Å; K266-M285 VanDerWaalsContact NZ-SD 3.44Å; K281-M285 WeakPolarHBondContact O-CG 3.36Å; K281-M285 PolarHBondContact O-N 3.15Å; E282-M285 WeakPolarHBondContact O-CB 3.12Å; E282-M285 PolarHBondContact O-N 3.49Å; I283-M285 PolarHBondContact O-N 3.41Å
286F97.4Very high97.1Very high6 Ų637.5 Ų37.53%0.02619%0.186CC..  trans-99.8132.8178.7-66.1-83.9000110.2L218 A220 W265 V273 T275 E282 I283 E284 S288 W343L218-F286 HydrophobicContact CB-CD1 4.27Å; L218-F286 HydrophobicContact CD2-CD1 3.69Å; L218-F286 HydrophobicContact CD2-CE1 3.67Å; L218-F286 HydrophobicContact CD2-CG 4.44Å; L218-F286 HydrophobicContact CD2-CZ 4.44Å; L218-F286 HydrophobicContact CG-CD1 3.57Å; L218-F286 HydrophobicContact CG-CE1 3.73Å; A220-F286 HydrophobicContact CB-CB 4.16Å; A220-F286 HydrophobicContact CB-CD1 3.53Å; A220-F286 HydrophobicContact CB-CD2 3.98Å; A220-F286 HydrophobicContact CB-CE1 3.83Å; A220-F286 HydrophobicContact CB-CE2 4.24Å; A220-F286 HydrophobicContact CB-CG 3.62Å; A220-F286 HydrophobicContact CB-CZ 4.17Å; W265-F286 HydrophobicContact CE3-CZ 4.28Å; W265-F286 HydrophobicContact CZ3-CE1 4.12Å; W265-F286 HydrophobicContact CZ3-CE2 4.39Å; W265-F286 AromaticContact CZ3-CZ 3.72Å; W265-F286 HydrophobicContact CZ3-CZ 3.72Å; V273-F286 HydrophobicContact CB-CE1 4.05Å; V273-F286 HydrophobicContact CG1-CE1 4.41Å; T275-F286 HydrophobicContact CG2-CE2 4.19Å; T275-F286 HydrophobicContact CG2-CZ 4.27Å; E282-F286 VanDerWaalsContact O-CD2 3.28Å; E282-F286 WeakPolarHBondContact O-CD2 3.26Å; I283-F286 PolarHBondContact O-N 2.83Å; I283-F286 VanDerWaalsContact O-N 3.08Å; E284-F286 VanDerWaalsContact C-N 3.26Å; F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 3.47Å; F286-W343 AromaticContact CD2-CH2 3.83Å; F286-W343 HydrophobicContact CD2-CH2 3.83Å; F286-W343 HydrophobicContact CE2-CH2 4.33Å; F286-W343 HydrophobicContact CG-CH2 4.43Å
287D97.4Very high97.1Very high75 Ų7537 Ų3740%0.40118%0.183SC..SBendtrans-72.6-27.8177.6-51.4-59.3000111.6S217 L218S217-D287 WeakPolarHBondContact CA-OD2 3.18Å; S217-D287 WeakPolarHBondContact OG-CB 3.36Å; S217-D287 PolarHBondContact OG-OD2 3.14Å; L218-D287 PolarHBondContact N-OD2 3.02Å; L218-D287 PolarHBondContact O-N 2.91Å
288S98.1Very high97Very high7 Ų738.6 Ų38.65%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-155.4161.4179.262.90000111.6V219 A220 F286 R349V219-S288 WeakPolarHBondContact CA-O 3.45Å; V219-S288 WeakPolarHBondContact CG2-OG 3.46Å; A220-S288 PolarHBondContact N-O 3.23Å; F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 3.47Å; S288-R349 CarbonylContact C-O 3.47Å; S288-R349 WeakPolarHBondContact CA-O 3.38Å; S288-R349 WeakPolarHBondContact CB-O 3.39Å
289A98.3Very high97Very high1 Ų137.6 Ų37.61%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-145.4141.5178.300000113.6A220 W343 R349 L350 L351A220-A289 HydrophobicContact CB-CB 3.78Å; A220-A289 CarbonylContact O-C 3.52Å; A220-A289 VanDerWaalsContact O-CA 3.31Å; A220-A289 WeakPolarHBondContact O-CA 3.2Å; A289-W343 HydrophobicContact CB-CE3 3.71Å; A289-W343 HydrophobicContact CB-CH2 4.34Å; A289-W343 HydrophobicContact CB-CZ3 3.43Å; A289-W343 VanDerWaalsContact CB-CZ3 3.43Å; A289-R349 PolarHBondContact N-O 3.21Å; A289-L350 HydrophobicContact CB-CD2 3.77Å; A289-L350 CarbonylContact O-C 3.58Å; A289-L350 VanDerWaalsContact O-CA 3.32Å; A289-L350 WeakPolarHBondContact O-CA 3.45Å; A289-L351 PolarHBondContact O-N 3.47Å
290I98.7Very high97Very high1 Ų136.2 Ų36.21%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-86.3110159.4-57.4168.3000106.4A220 L221 S222 I236 L351 V353 V369 F372 L373A220-I290 PolarHBondContact O-N 3.24Å; L221-I290 HydrophobicContact CD1-CB 4.01Å; L221-I290 HydrophobicContact CD1-CG2 3.89Å; S222-I290 PolarHBondContact N-O 3.32Å; I236-I290 HydrophobicContact CD1-CD1 4.4Å; I290-L351 CarbonylContact C-O 3.53Å; I290-L351 WeakPolarHBondContact CA-O 3.47Å; I290-L351 HydrophobicContact CG1-CB 4.49Å; I290-L351 HydrophobicContact CG1-CD2 4.36Å; I290-V353 HydrophobicContact CG2-CB 4.34Å; I290-V353 HydrophobicContact CG2-CG2 3.73Å; I290-V369 HydrophobicContact CD1-CG1 3.84Å; I290-F372 HydrophobicContact CD1-CD1 4.33Å; I290-F372 HydrophobicContact CG1-CD1 3.73Å; I290-F372 HydrophobicContact CG1-CE1 3.83Å; I290-L373 HydrophobicContact CD1-CD1 4.25Å; I290-L373 HydrophobicContact CD1-CD2 3.97Å; I290-L373 HydrophobicContact CD1-CG 4.11Å
291L98.6Very high96.8Very high1 Ų133.6 Ų33.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-91.8100.3175.3-179.759.7000109.1I293 W343 L344 L351 V353L291-I293 HydrophobicContact CD2-CD1 4.19Å; L291-I293 HydrophobicContact CG-CD1 4.28Å; L291-I293 HydrophobicContact CG-CG1 4.07Å; L291-W343 HydrophobicContact CD1-CB 3.78Å; L291-W343 HydrophobicContact CD1-CG 4.05Å; L291-W343 HydrophobicContact CD2-CB 3.95Å; L291-W343 HydrophobicContact CG-CB 4.42Å; L291-L344 HydrophobicContact CD2-CD2 4.21Å; L291-L344 HydrophobicContact CD2-CG 4.11Å; L291-L351 PolarHBondContact N-O 3.41Å; L291-V353 PolarHBondContact O-N 3.33Å
292L98.6Very high96.5Very high3 Ų326.8 Ų26.82%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-86.2118.8178.1168.573.5000110.5L221 S222 S223 V232 V353 L358L221-L292 HydrophobicContact CD1-CB 4.46Å; S222-L292 PolarHBondContact O-N 3.02Å; S223-L292 WeakPolarHBondContact CB-O 3.44Å; V232-L292 HydrophobicContact CB-CD2 4.08Å; V232-L292 HydrophobicContact CG2-CD1 4.04Å; V232-L292 HydrophobicContact CG2-CD2 3.58Å; V232-L292 HydrophobicContact CG2-CG 4.45Å; L292-V353 CarbonylContact C-O 3.54Å; L292-V353 WeakPolarHBondContact CA-O 3.38Å; L292-V353 HydrophobicContact CD1-CG1 4.35Å; L292-L358 HydrophobicContact CD1-CD1 4.26Å
293I98.3Very high96.3Very high6 Ų624.1 Ų24.13%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-116.9124.4-180-53.6178.9000109.9L291 W336 A340 V352 V353 H354 Y355 L425 L433 Y437L291-I293 HydrophobicContact CD2-CD1 4.19Å; L291-I293 HydrophobicContact CG-CD1 4.28Å; L291-I293 HydrophobicContact CG-CG1 4.07Å; I293-W336 HydrophobicContact CG2-CZ2 3.99Å; I293-A340 HydrophobicContact CD1-CB 4.48Å; I293-V352 HydrophobicContact CD1-CG1 3.94Å; I293-V353 PolarHBondContact N-O 3.31Å; I293-H354 CarbonylContact O-C 3.01Å; I293-H354 VanDerWaalsContact O-CA 3.3Å; I293-H354 WeakPolarHBondContact O-CA 3.04Å; I293-Y355 PolarHBondContact O-N 3.42Å; I293-L425 HydrophobicContact CD1-CD1 4.19Å; I293-L425 HydrophobicContact CD1-CD2 4.36Å; I293-L433 HydrophobicContact CG2-CD2 3.89Å; I293-Y437 HydrophobicContact CG2-CE2 4.38Å; I293-Y437 PolarHBondContact O-OH 3.11Å
294R97.6Very high96Very high40 Ų4024.4 Ų24.415%0.15112%0.115CC..  trans-116.4152.2173.1-177.3177.8-169-167.17.1109.7G226 A227 S299 W336 Y355 E356G226-R294 PolarHBondContact O-NH1 3.13Å; A227-R294 HydrophobicContact CB-CB 3.84Å; R294-S299 WeakPolarHBondContact CB-OG 3.46Å; R294-S299 PolarHBondContact O-OG 3.37Å; R294-W336 PolarHBondContact O-NE1 3.03Å; R294-Y355 HydrophobicContact CB-CG 4.2Å; R294-Y355 HydrophobicContact CG-CD1 3.89Å; R294-Y355 HydrophobicContact CG-CG 3.88Å; R294-E356 IonicContact NE-OE1 3.7Å
295N96.8Very high95.5Very high14 Ų1420 Ų208%0.07510%0.095CC..  trans-44.5127.7173-178.7-67.1000111.2Y297 R298 S299 Y437N295-Y297 PolarHBondContact O-N 3.22Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.35Å; N295-Y297 PolarHBondContact OD1-N 3.18Å; N295-R298 HydrophobicContact CB-CB 4.26Å; N295-R298 HydrophobicContact CB-CG 4.23Å; N295-R298 PolarHBondContact O-N 3.35Å; N295-R298 PolarHBondContact OD1-N 2.59Å; N295-S299 WeakPolarHBondContact O-CB 3.49Å; N295-S299 PolarHBondContact O-N 2.84Å; N295-S299 PolarHBondContact O-OG 2.81Å; N295-Y437 HydrophobicContact CB-CD1 3.78Å; N295-Y437 HydrophobicContact CB-CD2 4.37Å; N295-Y437 HydrophobicContact CB-CE1 3.84Å; N295-Y437 HydrophobicContact CB-CE2 4.4Å; N295-Y437 HydrophobicContact CB-CG 4.12Å
296P97.3Very high95Very high1 Ų120.2 Ų20.21%0.0069%0.091CC..Hα-helixtrans-65.1-39.3-172.819.6-27.9000112.7R298 S299 L300 W336 I414 I418P296-R298 VanDerWaalsContact C-N 3.3Å; P296-R298 PolarHBondContact O-N 3.25Å; P296-S299 PolarHBondContact O-N 2.79Å; P296-S299 VanDerWaalsContact O-N 3.15Å; P296-L300 WeakPolarHBondContact O-CB 3.48Å; P296-L300 WeakPolarHBondContact O-CG 3.07Å; P296-L300 PolarHBondContact O-N 3.14Å; P296-W336 HydrophobicContact CB-CD2 3.68Å; P296-W336 HydrophobicContact CB-CE3 4.06Å; P296-W336 HydrophobicContact CB-CG 4Å; P296-W336 HydrophobicContact CB-CH2 4.49Å; P296-W336 HydrophobicContact CB-CZ2 4.13Å; P296-W336 HydrophobicContact CB-CZ3 4.45Å; P296-W336 HydrophobicContact CG-CD2 4.29Å; P296-W336 HydrophobicContact CG-CE3 4.36Å; P296-W336 HydrophobicContact CG-CH2 4.05Å; P296-W336 HydrophobicContact CG-CZ2 3.94Å; P296-W336 HydrophobicContact CG-CZ3 4.25Å; P296-I414 HydrophobicContact CB-CG2 3.98Å; P296-I414 HydrophobicContact CG-CG2 3.78Å; P296-I418 HydrophobicContact CG-CD1 3.64Å; P296-I418 HydrophobicContact CG-CG1 3.47Å; P296-I418 VanDerWaalsContact CG-CG1 3.47Å
297Y95.9Very high94.2Very high29 Ų2924.9 Ų24.911%0.11411%0.112CC..Hα-helixtrans-58.2-44.6176.2-65.3-79.4000111.4N295 I301 F406 R411 I414 D415 I418N295-Y297 PolarHBondContact O-N 3.22Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.35Å; N295-Y297 PolarHBondContact OD1-N 3.18Å; Y297-I301 WeakPolarHBondContact O-CG1 3.25Å; Y297-I301 PolarHBondContact O-N 3.32Å; Y297-I301 VanDerWaalsContact O-N 3.15Å; Y297-F406 AromaticContact CD1-CD1 3.84Å; Y297-F406 HydrophobicContact CD1-CD1 3.84Å; Y297-F406 AromaticContact CD1-CD2 3.78Å; Y297-F406 HydrophobicContact CD1-CD2 3.78Å; Y297-F406 AromaticContact CD1-CE1 3.74Å; Y297-F406 HydrophobicContact CD1-CE1 3.74Å; Y297-F406 AromaticContact CD1-CE2 3.66Å; Y297-F406 HydrophobicContact CD1-CE2 3.66Å; Y297-F406 AromaticContact CD1-CG 3.85Å; Y297-F406 HydrophobicContact CD1-CG 3.85Å; Y297-F406 AromaticContact CD1-CZ 3.65Å; Y297-F406 HydrophobicContact CD1-CZ 3.65Å; Y297-F406 HydrophobicContact CE1-CD1 4.06Å; Y297-F406 HydrophobicContact CE1-CD2 4.39Å; Y297-F406 HydrophobicContact CE1-CE1 4.35Å; Y297-F406 HydrophobicContact CE1-CG 4.08Å; Y297-F406 HydrophobicContact CG-CE2 4.37Å; Y297-F406 HydrophobicContact CG-CZ 4.37Å; Y297-R411 HydrophobicContact CE1-CG 4.06Å; Y297-R411 WeakPolarHBondContact OH-CA 3.28Å; Y297-R411 PolarHBondContact OH-O 2.81Å; Y297-I414 HydrophobicContact CD1-CD1 3.97Å; Y297-I414 HydrophobicContact CD1-CG2 4.31Å; Y297-I414 HydrophobicContact CD2-CG2 4.12Å; Y297-I414 HydrophobicContact CE1-CB 4.09Å; Y297-I414 HydrophobicContact CE1-CD1 3.62Å; Y297-I414 HydrophobicContact CE1-CG1 4.47Å; Y297-I414 HydrophobicContact CE1-CG2 3.89Å; Y297-I414 HydrophobicContact CE2-CB 4.49Å; Y297-I414 HydrophobicContact CE2-CG2 3.68Å; Y297-I414 HydrophobicContact CG-CG2 4.42Å; Y297-D415 VanDerWaalsContact OH-CG 3.28Å; Y297-D415 PolarHBondContact OH-OD1 3.32Å; Y297-I418 HydrophobicContact CD2-CD1 4.39Å; Y297-I418 HydrophobicContact CE2-CD1 3.84Å
298R94Very high93.3Very high90 Ų9023.1 Ų23.134%0.3411%0.105SC..Hα-helixtrans-68.7-36.9177.3-66.2-178.2173.2-165.92.1112.4N295 P296 A302 E356N295-R298 HydrophobicContact CB-CB 4.26Å; N295-R298 HydrophobicContact CB-CG 4.23Å; N295-R298 PolarHBondContact O-N 3.35Å; N295-R298 PolarHBondContact OD1-N 2.59Å; P296-R298 VanDerWaalsContact C-N 3.3Å; P296-R298 PolarHBondContact O-N 3.25Å; R298-A302 WeakPolarHBondContact O-CB 3.42Å; R298-A302 PolarHBondContact O-N 3.45Å; R298-E356 WeakPolarHBondContact CD-OE1 3.46Å; R298-E356 IonicContact CZ-OE1 3.55Å; R298-E356 IonicContact NE-OE1 3.31Å; R298-E356 IonicContact NH1-OE1 2.78Å; R298-E356 PolarHBondContact NH1-OE1 2.82Å
299S95.6Very high92.1Very high0 Ų025 Ų250%012%0.121CC..Hα-helixtrans-69.5-43.2179.4-56.10000111.9R294 N295 P296 A302 E303R294-S299 WeakPolarHBondContact CB-OG 3.46Å; R294-S299 PolarHBondContact O-OG 3.37Å; N295-S299 WeakPolarHBondContact O-CB 3.49Å; N295-S299 PolarHBondContact O-N 2.84Å; N295-S299 PolarHBondContact O-OG 2.81Å; P296-S299 PolarHBondContact O-N 2.79Å; P296-S299 VanDerWaalsContact O-N 3.15Å; S299-A302 PolarHBondContact O-N 3.15Å; S299-E303 WeakPolarHBondContact O-CB 3.32Å; S299-E303 PolarHBondContact O-N 2.85Å
300L96.1Very high90.7Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-61.7-49.1176.4-69.8168.5000111.2F224 P296 A302 E303 F304 W325 F328 Y332 A333 F406 I414F224-L300 HydrophobicContact CE1-CD2 4.49Å; F224-L300 HydrophobicContact CZ-CD2 4.22Å; P296-L300 WeakPolarHBondContact O-CB 3.48Å; P296-L300 WeakPolarHBondContact O-CG 3.07Å; P296-L300 PolarHBondContact O-N 3.14Å; L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 2.93Å; L300-E303 PolarHBondContact O-N 3.37Å; L300-F304 WeakPolarHBondContact O-CB 3.47Å; L300-F304 PolarHBondContact O-N 2.89Å; L300-W325 HydrophobicContact CB-CH2 4.2Å; L300-F328 HydrophobicContact CB-CE1 4.35Å; L300-F328 HydrophobicContact CD2-CE1 4Å; L300-F328 WeakPolarHBondContact O-CE1 3.32Å; L300-Y332 VanDerWaalsContact CD2-CB 3.45Å; L300-A333 HydrophobicContact CD1-CB 4.13Å; L300-F406 HydrophobicContact CB-CZ 4.37Å; L300-F406 HydrophobicContact CD1-CE1 4.09Å; L300-I414 HydrophobicContact CD1-CD1 3.73Å; L300-I414 HydrophobicContact CD1-CG1 4.2Å
301I92.8Very high88.8Confident37 Ų3729.9 Ų29.919%0.1915%0.153CC..Hα-helixtrans-58.9-45.6174.4-73.7172.1000110.7Y297 E303 N305 W320 W325 P405 F406Y297-I301 WeakPolarHBondContact O-CG1 3.25Å; Y297-I301 PolarHBondContact O-N 3.32Å; Y297-I301 VanDerWaalsContact O-N 3.15Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 3.22Å; I301-N305 WeakPolarHBondContact CG2-ND2 3.12Å; I301-N305 WeakPolarHBondContact O-CB 3.33Å; I301-N305 PolarHBondContact O-N 2.91Å; I301-N305 VanDerWaalsContact O-N 3.16Å; I301-N305 PolarHBondContact O-ND2 2.97Å; I301-W320 HydrophobicContact CB-CH2 4.29Å; I301-W320 HydrophobicContact CG1-CH2 4.15Å; I301-W320 HydrophobicContact CG1-CZ3 4.43Å; I301-W320 HydrophobicContact CG2-CH2 3.98Å; I301-W320 HydrophobicContact CG2-CZ2 4.45Å; I301-W325 HydrophobicContact CG1-CH2 4.07Å; I301-P405 HydrophobicContact CD1-CG 4.41Å; I301-F406 HydrophobicContact CD1-CE2 3.64Å; I301-F406 HydrophobicContact CD1-CZ 4.2Å; I301-F406 HydrophobicContact CG1-CE2 3.9Å; I301-F406 HydrophobicContact CG1-CZ 3.96Å
302A89.8Confident87.1Confident14 Ų1432.4 Ų32.412%0.11617%0.166CC..Hα-helixtrans-62.8-43.3-177.800000111.5R298 S299 L300 R306 R395R298-A302 WeakPolarHBondContact O-CB 3.42Å; R298-A302 PolarHBondContact O-N 3.45Å; S299-A302 PolarHBondContact O-N 3.15Å; L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 2.93Å; A302-R306 PolarHBondContact O-N 3.42Å; A302-R306 VanDerWaalsContact O-N 3.13Å; A302-R395 VanDerWaalsContact O-CZ 3.29Å; A302-R395 PolarHBondContact O-NH1 3.37Å; A302-R395 PolarHBondContact O-NH2 2.6Å
303E91.8Very high85.5Confident3 Ų333.1 Ų33.11%0.01417%0.174CC..Hα-helixtrans-72.6-39-179.1-179.358.7-167.400112.8P225 S299 L300 I301 R306 K307 F328 Y332P225-E303 HydrophobicContact CB-CG 3.89Å; P225-E303 VanDerWaalsContact CB-OE2 3.29Å; P225-E303 WeakPolarHBondContact CB-OE2 2.99Å; S299-E303 WeakPolarHBondContact O-CB 3.32Å; S299-E303 PolarHBondContact O-N 2.85Å; L300-E303 PolarHBondContact O-N 3.37Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 3.22Å; E303-R306 WeakPolarHBondContact O-CA 3.1Å; E303-R306 VanDerWaalsContact O-CB 3.27Å; E303-R306 WeakPolarHBondContact O-CB 3.43Å; E303-R306 PolarHBondContact O-N 2.89Å; E303-R306 IonicContact OE1-CZ 3.08Å; E303-R306 IonicContact OE1-NE 3.88Å; E303-R306 PolarHBondContact OE1-NE 3.11Å; E303-R306 IonicContact OE1-NH2 3.52Å; E303-R306 PolarHBondContact OE1-NH2 2.7Å; E303-R306 IonicContact OE2-CZ 3.4Å; E303-R306 IonicContact OE2-NE 3.25Å; E303-R306 PolarHBondContact OE2-NE 3.4Å; E303-R306 IonicContact OE2-NH2 2.67Å; E303-K307 PolarHBondContact O-N 2.88Å; E303-F328 HydrophobicContact CB-CZ 3.99Å; E303-F328 HydrophobicContact CG-CE2 4.2Å; E303-F328 HydrophobicContact CG-CZ 3.79Å; E303-Y332 HydrophobicContact CG-CD1 4.11Å; E303-Y332 HydrophobicContact CG-CE1 3.89Å
304F91.8Very high84.4Confident6 Ų634.8 Ų34.83%0.02618%0.181CC..Hα-helixtrans-60.9-50.9175.9-175.2-107000111.7L300 R306 K307 C308 A315 Q319 W320 E324 W325 F328L300-F304 WeakPolarHBondContact O-CB 3.47Å; L300-F304 PolarHBondContact O-N 2.89Å; F304-R306 PolarHBondContact O-N 3.24Å; F304-K307 WeakPolarHBondContact O-CB 3.38Å; F304-K307 PolarHBondContact O-N 3.32Å; F304-C308 PolarHBondContact O-N 3.43Å; F304-C308 PolarHBondContact O-SG 3.36Å; F304-A315 HydrophobicContact CD1-CB 3.93Å; F304-A315 HydrophobicContact CE1-CB 3.81Å; F304-Q319 HydrophobicContact CE1-CB 4.35Å; F304-Q319 HydrophobicContact CZ-CB 4.39Å; F304-W320 HydrophobicContact CB-CH2 4.34Å; F304-W320 HydrophobicContact CD1-CD2 4.21Å; F304-W320 AromaticContact CD1-CE3 3.87Å; F304-W320 HydrophobicContact CD1-CE3 3.87Å; F304-W320 AromaticContact CD1-CH2 3.54Å; F304-W320 HydrophobicContact CD1-CH2 3.54Å; F304-W320 AromaticContact CD1-CZ2 3.9Å; F304-W320 HydrophobicContact CD1-CZ2 3.9Å; F304-W320 AromaticContact CD1-CZ3 3.53Å; F304-W320 HydrophobicContact CD1-CZ3 3.53Å; F304-W320 HydrophobicContact CE1-CD2 4.05Å; F304-W320 AromaticContact CE1-CE3 3.89Å; F304-W320 HydrophobicContact CE1-CE3 3.89Å; F304-W320 HydrophobicContact CE1-CH2 4.33Å; F304-W320 HydrophobicContact CE1-CZ2 4.48Å; F304-W320 HydrophobicContact CE1-CZ3 4.05Å; F304-W320 HydrophobicContact CG-CH2 4.35Å; F304-W320 HydrophobicContact CG-CZ3 4.33Å; F304-E324 HydrophobicContact CE2-CB 4.37Å; F304-E324 HydrophobicContact CZ-CB 4.49Å; F304-W325 HydrophobicContact CB-CE3 3.96Å; F304-W325 HydrophobicContact CB-CZ3 3.65Å; F304-W325 AromaticContact CD1-CE3 3.81Å; F304-W325 HydrophobicContact CD1-CE3 3.81Å; F304-W325 HydrophobicContact CD1-CZ3 4.22Å; F304-W325 AromaticContact CD2-CE3 3.81Å; F304-W325 HydrophobicContact CD2-CE3 3.81Å; F304-W325 HydrophobicContact CD2-CZ3 4.34Å; F304-W325 HydrophobicContact CE1-CB 4.47Å; F304-W325 HydrophobicContact CE1-CE3 4.21Å; F304-W325 HydrophobicContact CE2-CB 4.36Å; F304-W325 HydrophobicContact CE2-CE3 4.22Å; F304-W325 AromaticContact CG-CE3 3.58Å; F304-W325 HydrophobicContact CG-CE3 3.58Å; F304-W325 AromaticContact CG-CZ3 3.83Å; F304-W325 HydrophobicContact CG-CZ3 3.83Å; F304-W325 HydrophobicContact CZ-CB 4.05Å; F304-W325 HydrophobicContact CZ-CE3 4.4Å; F304-F328 HydrophobicContact CB-CD1 4.09Å; F304-F328 HydrophobicContact CB-CE1 3.83Å; F304-F328 HydrophobicContact CB-CZ 4.09Å; F304-F328 HydrophobicContact CD2-CB 4Å; F304-F328 AromaticContact CD2-CD1 3.89Å; F304-F328 HydrophobicContact CD2-CD1 3.89Å; F304-F328 HydrophobicContact CD2-CD2 4Å; F304-F328 HydrophobicContact CD2-CE1 4.41Å; F304-F328 HydrophobicContact CD2-CE2 4.49Å; F304-F328 AromaticContact CD2-CG 3.68Å; F304-F328 HydrophobicContact CD2-CG 3.68Å; F304-F328 HydrophobicContact CE2-CB 4.23Å; F304-F328 HydrophobicContact CE2-CG 4.39Å; F304-F328 HydrophobicContact CG-CD1 4.38Å
305N86.1Confident83.7Confident5 Ų533.3 Ų33.33%0.02718%0.178CC..Hα-helixtrans-52.6-39171.1-81.5-51.6000112.6I301 C308 A309 H314 A315 W320I301-N305 WeakPolarHBondContact CG2-ND2 3.12Å; I301-N305 WeakPolarHBondContact O-CB 3.33Å; I301-N305 PolarHBondContact O-N 2.91Å; I301-N305 VanDerWaalsContact O-N 3.16Å; I301-N305 PolarHBondContact O-ND2 2.97Å; N305-C308 PolarHBondContact O-N 2.82Å; N305-A309 PolarHBondContact O-N 2.57Å; N305-H314 WeakPolarHBondContact OD1-CA 3.03Å; N305-A315 PolarHBondContact OD1-N 3.15Å; N305-W320 WeakPolarHBondContact OD1-CZ2 3.34Å
306R83.6Confident83.1Confident85 Ų8536.4 Ų36.432%0.32120%0.197SC..Hα-helixtrans-64.5-43.4178.8-164.5-171.164.779.63.6111.3A302 E303 F304 G310 R395A302-R306 PolarHBondContact O-N 3.42Å; A302-R306 VanDerWaalsContact O-N 3.13Å; E303-R306 WeakPolarHBondContact O-CA 3.1Å; E303-R306 VanDerWaalsContact O-CB 3.27Å; E303-R306 WeakPolarHBondContact O-CB 3.43Å; E303-R306 PolarHBondContact O-N 2.89Å; E303-R306 IonicContact OE1-CZ 3.08Å; E303-R306 IonicContact OE1-NE 3.88Å; E303-R306 PolarHBondContact OE1-NE 3.11Å; E303-R306 IonicContact OE1-NH2 3.52Å; E303-R306 PolarHBondContact OE1-NH2 2.7Å; E303-R306 IonicContact OE2-CZ 3.4Å; E303-R306 IonicContact OE2-NE 3.25Å; E303-R306 PolarHBondContact OE2-NE 3.4Å; E303-R306 IonicContact OE2-NH2 2.67Å; F304-R306 PolarHBondContact O-N 3.24Å; R306-G310 WeakPolarHBondContact CA-O 3.49Å; R306-G310 CarbonylContact O-C 3.09Å; R306-G310 WeakPolarHBondContact O-CA 3.34Å; R306-G310 PolarHBondContact O-N 3.07Å; R306-R395 VanDerWaalsContact CA-NH2 3.34Å; R306-R395 VanDerWaalsContact CB-NH2 3.32Å
307K82.2Confident82.5Confident105 Ų10542.2 Ų42.246%0.45722%0.224SC..Hα-helixtrans-65.7-43.6178.1-77-166169.2-165.50111.9E303 F304 F328 Y332E303-K307 PolarHBondContact O-N 2.88Å; F304-K307 WeakPolarHBondContact O-CB 3.38Å; F304-K307 PolarHBondContact O-N 3.32Å; K307-F328 HydrophobicContact CD-CD2 4.21Å; K307-F328 HydrophobicContact CD-CE2 3.85Å; K307-Y332 WeakPolarHBondContact CE-OH 3.32Å; K307-Y332 PolarHBondContact NZ-OH 3.43Å
308C78.1Confident82.1Confident37 Ų3744.4 Ų44.425%0.2525%0.249CC..Hα-helixtrans-72.2-37.8-176.5-64.10000113.1F304 N305 A315F304-C308 PolarHBondContact O-N 3.43Å; F304-C308 PolarHBondContact O-SG 3.36Å; N305-C308 PolarHBondContact O-N 2.82Å; C308-A315 HydrophobicContact CB-CB 3.68Å
309A72.9Confident81.8Confident48 Ų4842.5 Ų42.540%0.39724%0.243SC..Hα-helixtrans-136.710.9-166.800000114.7N305 G313 H314N305-A309 PolarHBondContact O-N 2.57Å; A309-G313 WeakPolarHBondContact O-CA 3.24Å; A309-H314 VanDerWaalsContact CB-O 3.22Å; A309-H314 WeakPolarHBondContact CB-O 3.35Å
310G67.8Low81.4Confident33 Ų3342.9 Ų42.934%0.3425%0.245SC..  trans82-176.5179.500000113.9R306 L312 G313R306-G310 WeakPolarHBondContact CA-O 3.49Å; R306-G310 CarbonylContact O-C 3.09Å; R306-G310 WeakPolarHBondContact O-CA 3.34Å; R306-G310 PolarHBondContact O-N 3.07Å; G310-L312 VanDerWaalsContact C-N 3.27Å; G310-L312 PolarHBondContact O-N 2.98Å; G310-L312 VanDerWaalsContact O-N 3.11Å; G310-G313 PolarHBondContact O-N 3.08Å; G310-G313 VanDerWaalsContact O-N 3.15Å
311H59.7Low80.9Confident71 Ų7149.4 Ų49.433%0.32928%0.28SS..THydrogen-bonded Turntrans-51.7-42.1-169.7-69.8-90.7000114.2D250 R395D250-H311 IonicContact OD2-CE1 3.77Å; D250-H311 PolarHBondContact OD2-CE1 3.07Å; D250-H311 VanDerWaalsContact OD2-CE1 3.23Å; D250-H311 IonicContact OD2-NE2 3.19Å; D250-H311 PolarHBondContact OD2-NE2 2.63Å; H311-R395 PolarHBondContact O-NE 3.22Å; H311-R395 PolarHBondContact O-NH2 3.16Å
312L62.4Low80.8Confident54 Ų5449.3 Ų49.328%0.28328%0.282SS..THydrogen-bonded Turntrans-106.52.3-177.4-61-176.6000114.8G310 R395G310-L312 VanDerWaalsContact C-N 3.27Å; G310-L312 PolarHBondContact O-N 2.98Å; G310-L312 VanDerWaalsContact O-N 3.11Å; L312-R395 HydrophobicContact CD2-CG 4.48Å
313G65.2Low80.9Confident18 Ų1856.7 Ų56.719%0.18631%0.312CS..  trans-88.5168.4-174.300000114.3A309 G310 R395A309-G313 WeakPolarHBondContact O-CA 3.24Å; G310-G313 PolarHBondContact O-N 3.08Å; G310-G313 VanDerWaalsContact O-N 3.15Å; G313-R395 WeakPolarHBondContact O-CD 3.15Å; G313-R395 PolarHBondContact O-NE 3.22Å
314H76.1Confident80.9Confident40 Ų4061.6 Ų61.619%0.18534%0.335CS..  trans-117.9141.3173.4-68-97.4000110.2N305 A309 Q399N305-H314 WeakPolarHBondContact OD1-CA 3.03Å; A309-H314 VanDerWaalsContact CB-O 3.22Å; A309-H314 WeakPolarHBondContact CB-O 3.35Å; H314-Q399 HydrophobicContact CB-CB 4.47Å; H314-Q399 PolarHBondContact ND1-O 3.17Å; H314-Q399 VanDerWaalsContact ND1-O 3.09Å
315A82.6Confident81Confident10 Ų1061.5 Ų61.58%0.08333%0.334CS..  trans-67.6143.617000000109.8F304 N305 C308 Q319 W320F304-A315 HydrophobicContact CD1-CB 3.93Å; F304-A315 HydrophobicContact CE1-CB 3.81Å; N305-A315 PolarHBondContact OD1-N 3.15Å; C308-A315 HydrophobicContact CB-CB 3.68Å; A315-Q319 VanDerWaalsContact CA-OE1 3.23Å; A315-Q319 HydrophobicContact CB-CB 4.2Å; A315-W320 HydrophobicContact CB-CZ2 4.07Å; A315-W320 PolarHBondContact O-NE1 2.82Å
316T84.6Confident81.4Confident79 Ų7963.6 Ų63.649%0.48535%0.348SS..  trans-74.5159178.9650000111A318 Q319 W320T316-A318 PolarHBondContact O-N 3.41Å; T316-Q319 WeakPolarHBondContact O-CB 3.4Å; T316-Q319 PolarHBondContact O-N 2.98Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.47Å; T316-Q319 PolarHBondContact OG1-N 3.46Å; T316-Q319 PolarHBondContact OG1-OE1 3.11Å; T316-W320 PolarHBondContact O-N 3.09Å
317E84.7Confident81.9Confident123 Ų12365.4 Ų65.458%0.57536%0.36SS*.Hα-helixtrans-55.3-38.8176.1-70.8-165.6151.200112.1Q319 W320 D321 S402E317-Q319 VanDerWaalsContact C-N 3.28Å; E317-Q319 PolarHBondContact O-N 3.27Å; E317-W320 PolarHBondContact O-N 2.78Å; E317-W320 VanDerWaalsContact O-N 3.15Å; E317-D321 PolarHBondContact O-N 2.92Å; E317-S402 PolarHBondContact OE1-OG 2.91Å
318A86.1Confident82.6Confident75 Ų7561.1 Ų61.162%0.6234%0.342SS*.Hα-helixtrans-61.2-33.2175.900000113.4T316 S322T316-A318 PolarHBondContact O-N 3.41Å; A318-S322 WeakPolarHBondContact O-CB 3.42Å; A318-S322 PolarHBondContact O-N 2.91Å
319Q87.5Confident83.5Confident49 Ų4959.4 Ų59.423%0.22933%0.33CS..Hα-helixtrans-72.4-37.9176.1-73.2171.3-41.400111.4F304 A315 T316 E317 D321 S322F304-Q319 HydrophobicContact CE1-CB 4.35Å; F304-Q319 HydrophobicContact CZ-CB 4.39Å; A315-Q319 VanDerWaalsContact CA-OE1 3.23Å; A315-Q319 HydrophobicContact CB-CB 4.2Å; T316-Q319 WeakPolarHBondContact O-CB 3.4Å; T316-Q319 PolarHBondContact O-N 2.98Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.47Å; T316-Q319 PolarHBondContact OG1-N 3.46Å; T316-Q319 PolarHBondContact OG1-OE1 3.11Å; E317-Q319 VanDerWaalsContact C-N 3.28Å; E317-Q319 PolarHBondContact O-N 3.27Å; Q319-D321 VanDerWaalsContact C-N 3.35Å; Q319-S322 PolarHBondContact O-N 3.39Å; Q319-S322 PolarHBondContact O-OG 2.87Å
320W87.7Confident84.6Confident9 Ų960.1 Ų60.13%0.03433%0.332CS..Hα-helixtrans-66.6-35.9176.1-68.2110.6000112.9I301 F304 N305 A315 T316 E317 S322 W325 P401 F403 P405I301-W320 HydrophobicContact CB-CH2 4.29Å; I301-W320 HydrophobicContact CG1-CH2 4.15Å; I301-W320 HydrophobicContact CG1-CZ3 4.43Å; I301-W320 HydrophobicContact CG2-CH2 3.98Å; I301-W320 HydrophobicContact CG2-CZ2 4.45Å; F304-W320 HydrophobicContact CB-CH2 4.34Å; F304-W320 HydrophobicContact CD1-CD2 4.21Å; F304-W320 AromaticContact CD1-CE3 3.87Å; F304-W320 HydrophobicContact CD1-CE3 3.87Å; F304-W320 AromaticContact CD1-CH2 3.54Å; F304-W320 HydrophobicContact CD1-CH2 3.54Å; F304-W320 AromaticContact CD1-CZ2 3.9Å; F304-W320 HydrophobicContact CD1-CZ2 3.9Å; F304-W320 AromaticContact CD1-CZ3 3.53Å; F304-W320 HydrophobicContact CD1-CZ3 3.53Å; F304-W320 HydrophobicContact CE1-CD2 4.05Å; F304-W320 AromaticContact CE1-CE3 3.89Å; F304-W320 HydrophobicContact CE1-CE3 3.89Å; F304-W320 HydrophobicContact CE1-CH2 4.33Å; F304-W320 HydrophobicContact CE1-CZ2 4.48Å; F304-W320 HydrophobicContact CE1-CZ3 4.05Å; F304-W320 HydrophobicContact CG-CH2 4.35Å; F304-W320 HydrophobicContact CG-CZ3 4.33Å; N305-W320 WeakPolarHBondContact OD1-CZ2 3.34Å; A315-W320 HydrophobicContact CB-CZ2 4.07Å; A315-W320 PolarHBondContact O-NE1 2.82Å; T316-W320 PolarHBondContact O-N 3.09Å; E317-W320 PolarHBondContact O-N 2.78Å; E317-W320 VanDerWaalsContact O-N 3.15Å; W320-S322 VanDerWaalsContact C-N 3.3Å; W320-W325 AromaticContact CE3-CD2 3.97Å; W320-W325 HydrophobicContact CE3-CD2 3.97Å; W320-W325 HydrophobicContact CE3-CE3 4.04Å; W320-W325 HydrophobicContact CE3-CG 4.3Å; W320-W325 HydrophobicContact CE3-CZ3 4.46Å; W320-W325 HydrophobicContact CH2-CE3 4.49Å; W320-W325 HydrophobicContact CH2-CZ3 4.22Å; W320-W325 AromaticContact CZ3-CD2 3.82Å; W320-W325 HydrophobicContact CZ3-CD2 3.82Å; W320-W325 AromaticContact CZ3-CE3 3.52Å; W320-W325 HydrophobicContact CZ3-CE3 3.52Å; W320-W325 AromaticContact CZ3-CH2 3.79Å; W320-W325 HydrophobicContact CZ3-CH2 3.79Å; W320-W325 HydrophobicContact CZ3-CZ2 4.06Å; W320-W325 AromaticContact CZ3-CZ3 3.52Å; W320-W325 HydrophobicContact CZ3-CZ3 3.52Å; W320-P401 HydrophobicContact CD2-CG 4.14Å; W320-P401 HydrophobicContact CG-CB 4.2Å; W320-P401 HydrophobicContact CG-CG 4.34Å; W320-F403 HydrophobicContact CB-CE1 4.27Å; W320-F403 HydrophobicContact CB-CZ 3.66Å; W320-P405 HydrophobicContact CE3-CB 3.9Å; W320-P405 HydrophobicContact CE3-CG 4.35Å; W320-P405 HydrophobicContact CZ3-CB 4.25Å; W320-P405 HydrophobicContact CZ3-CG 4.28Å
321D86.3Confident85.9Confident136 Ų13662.3 Ų62.373%0.72734%0.342SS*.SBendtrans-82.8-7.9178.2-163.142000113.2E317 Q319E317-D321 PolarHBondContact O-N 2.92Å; Q319-D321 VanDerWaalsContact C-N 3.35Å
322S90.1Very high87.7Confident35 Ų3560.8 Ų60.825%0.24533%0.334CS..SBendtrans-79.5166.5-179.980.40000113A318 Q319 W320 E324 W325 P326A318-S322 WeakPolarHBondContact O-CB 3.42Å; A318-S322 PolarHBondContact O-N 2.91Å; Q319-S322 PolarHBondContact O-N 3.39Å; Q319-S322 PolarHBondContact O-OG 2.87Å; W320-S322 VanDerWaalsContact C-N 3.3Å; S322-E324 PolarHBondContact O-N 2.86Å; S322-E324 VanDerWaalsContact OG-CB 3.3Å; S322-E324 WeakPolarHBondContact OG-CB 3.32Å; S322-E324 WeakPolarHBondContact OG-CG 3.47Å; S322-E324 PolarHBondContact OG-N 2.9Å; S322-W325 PolarHBondContact O-N 3.29Å; S322-P326 VanDerWaalsContact O-CD 3.27Å; S322-P326 WeakPolarHBondContact O-CD 3.43Å
323K91.9Very high89.4Confident169 Ų16958.3 Ų58.374%0.73532%0.321SS*.THydrogen-bonded Turntrans-64.2-15.8171.7-65.7-176.7178.7-179.20113.6W325 P326 E327K323-W325 VanDerWaalsContact C-N 3.31Å; K323-W325 PolarHBondContact O-N 2.86Å; K323-P326 WeakPolarHBondContact O-CD 3.25Å; K323-E327 WeakPolarHBondContact O-CG 3.17Å; K323-E327 PolarHBondContact O-N 3.41Å
324E90.8Very high91Very high106 Ų10659.5 Ų59.550%0.49533%0.325SS..Hα-helixtrans-64.1-36.8-179.3-59-180175.300111.7F304 S322 F328F304-E324 HydrophobicContact CE2-CB 4.37Å; F304-E324 HydrophobicContact CZ-CB 4.49Å; S322-E324 PolarHBondContact O-N 2.86Å; S322-E324 VanDerWaalsContact OG-CB 3.3Å; S322-E324 WeakPolarHBondContact OG-CB 3.32Å; S322-E324 WeakPolarHBondContact OG-CG 3.47Å; S322-E324 PolarHBondContact OG-N 2.9Å; E324-F328 WeakPolarHBondContact O-CB 3.35Å; E324-F328 PolarHBondContact O-N 2.89Å
325W93.9Very high92Very high5 Ų561 Ų612%0.01933%0.33CS..Hα-helixtrans-67.7-50.4-178.5168.4-109.4000112.6L300 I301 F304 W320 S322 K323 E327 F328 V329 P405 F406L300-W325 HydrophobicContact CB-CH2 4.2Å; I301-W325 HydrophobicContact CG1-CH2 4.07Å; F304-W325 HydrophobicContact CB-CE3 3.96Å; F304-W325 HydrophobicContact CB-CZ3 3.65Å; F304-W325 AromaticContact CD1-CE3 3.81Å; F304-W325 HydrophobicContact CD1-CE3 3.81Å; F304-W325 HydrophobicContact CD1-CZ3 4.22Å; F304-W325 AromaticContact CD2-CE3 3.81Å; F304-W325 HydrophobicContact CD2-CE3 3.81Å; F304-W325 HydrophobicContact CD2-CZ3 4.34Å; F304-W325 HydrophobicContact CE1-CB 4.47Å; F304-W325 HydrophobicContact CE1-CE3 4.21Å; F304-W325 HydrophobicContact CE2-CB 4.36Å; F304-W325 HydrophobicContact CE2-CE3 4.22Å; F304-W325 AromaticContact CG-CE3 3.58Å; F304-W325 HydrophobicContact CG-CE3 3.58Å; F304-W325 AromaticContact CG-CZ3 3.83Å; F304-W325 HydrophobicContact CG-CZ3 3.83Å; F304-W325 HydrophobicContact CZ-CB 4.05Å; F304-W325 HydrophobicContact CZ-CE3 4.4Å; W320-W325 AromaticContact CE3-CD2 3.97Å; W320-W325 HydrophobicContact CE3-CD2 3.97Å; W320-W325 HydrophobicContact CE3-CE3 4.04Å; W320-W325 HydrophobicContact CE3-CG 4.3Å; W320-W325 HydrophobicContact CE3-CZ3 4.46Å; W320-W325 HydrophobicContact CH2-CE3 4.49Å; W320-W325 HydrophobicContact CH2-CZ3 4.22Å; W320-W325 AromaticContact CZ3-CD2 3.82Å; W320-W325 HydrophobicContact CZ3-CD2 3.82Å; W320-W325 AromaticContact CZ3-CE3 3.52Å; W320-W325 HydrophobicContact CZ3-CE3 3.52Å; W320-W325 AromaticContact CZ3-CH2 3.79Å; W320-W325 HydrophobicContact CZ3-CH2 3.79Å; W320-W325 HydrophobicContact CZ3-CZ2 4.06Å; W320-W325 AromaticContact CZ3-CZ3 3.52Å; W320-W325 HydrophobicContact CZ3-CZ3 3.52Å; S322-W325 PolarHBondContact O-N 3.29Å; K323-W325 VanDerWaalsContact C-N 3.31Å; K323-W325 PolarHBondContact O-N 2.86Å; W325-E327 PolarHBondContact O-N 3.1Å; W325-F328 AromaticContact CE3-CD1 3.96Å; W325-F328 HydrophobicContact CE3-CD1 3.96Å; W325-F328 AromaticContact CZ3-CD1 3.8Å; W325-F328 HydrophobicContact CZ3-CD1 3.8Å; W325-F328 HydrophobicContact CZ3-CE1 4.09Å; W325-F328 WeakPolarHBondContact O-CB 3.43Å; W325-F328 PolarHBondContact O-N 2.03Å; W325-V329 HydrophobicContact CD2-CG2 3.79Å; W325-V329 VanDerWaalsContact CE2-CG2 3.48Å; W325-V329 HydrophobicContact CE3-CG2 3.98Å; W325-V329 HydrophobicContact CH2-CG2 3.7Å; W325-V329 HydrophobicContact CZ2-CG2 3.48Å; W325-V329 VanDerWaalsContact CZ2-CG2 3.48Å; W325-V329 HydrophobicContact CZ3-CG2 3.92Å; W325-V329 WeakPolarHBondContact O-CG2 3.41Å; W325-V329 PolarHBondContact O-N 3.37Å; W325-P405 HydrophobicContact CZ2-CB 4.07Å; W325-P405 HydrophobicContact CZ2-CG 4.06Å; W325-P405 PolarHBondContact NE1-O 3.08Å; W325-F406 AromaticContact CH2-CE1 3.75Å; W325-F406 HydrophobicContact CH2-CE1 3.75Å; W325-F406 HydrophobicContact CH2-CE2 4.47Å; W325-F406 AromaticContact CH2-CZ 3.67Å; W325-F406 HydrophobicContact CH2-CZ 3.67Å; W325-F406 AromaticContact CZ2-CD1 3.8Å; W325-F406 HydrophobicContact CZ2-CD1 3.8Å; W325-F406 HydrophobicContact CZ2-CD2 4.46Å; W325-F406 AromaticContact CZ2-CE1 3.36Å; W325-F406 HydrophobicContact CZ2-CE1 3.36Å; W325-F406 HydrophobicContact CZ2-CE2 4.1Å; W325-F406 HydrophobicContact CZ2-CG 4.34Å; W325-F406 AromaticContact CZ2-CZ 3.52Å; W325-F406 HydrophobicContact CZ2-CZ 3.52Å
326P95.8Very high92.8Very high48 Ų4860.9 Ų60.931%0.31233%0.327SS..Hα-helixtrans-57.5-41.8173.5-25.731.8000115S322 K323 V329 S330 M410S322-P326 VanDerWaalsContact O-CD 3.27Å; S322-P326 WeakPolarHBondContact O-CD 3.43Å; K323-P326 WeakPolarHBondContact O-CD 3.25Å; P326-V329 PolarHBondContact O-N 2.82Å; P326-S330 WeakPolarHBondContact O-CB 3.41Å; P326-S330 PolarHBondContact O-N 2.74Å; P326-S330 PolarHBondContact O-OG 3.04Å; P326-M410 HydrophobicContact CB-CE 3.46Å; P326-M410 VanDerWaalsContact CB-CE 3.46Å; P326-M410 HydrophobicContact CG-CE 3.7Å
327E94.6Very high93.5Very high124 Ų12457.2 Ų57.258%0.57931%0.305SS*.Hα-helixtrans-65.3-41177.1-71.1174.2-170.500111.5K323 W325 S330 S331K323-E327 WeakPolarHBondContact O-CG 3.17Å; K323-E327 PolarHBondContact O-N 3.41Å; W325-E327 PolarHBondContact O-N 3.1Å; E327-S330 PolarHBondContact O-N 2.99Å; E327-S331 PolarHBondContact O-N 2.72Å; E327-S331 PolarHBondContact O-OG 2.82Å
328F96.1Very high94.1Very high15 Ų1554 Ų547%0.06630%0.296CS..Hα-helixtrans-59.5-52.4173.6176-91.3000111.2L300 E303 F304 K307 E324 W325 S330 S331 Y332L300-F328 HydrophobicContact CB-CE1 4.35Å; L300-F328 HydrophobicContact CD2-CE1 4Å; L300-F328 WeakPolarHBondContact O-CE1 3.32Å; E303-F328 HydrophobicContact CB-CZ 3.99Å; E303-F328 HydrophobicContact CG-CE2 4.2Å; E303-F328 HydrophobicContact CG-CZ 3.79Å; F304-F328 HydrophobicContact CB-CD1 4.09Å; F304-F328 HydrophobicContact CB-CE1 3.83Å; F304-F328 HydrophobicContact CB-CZ 4.09Å; F304-F328 HydrophobicContact CD2-CB 4Å; F304-F328 AromaticContact CD2-CD1 3.89Å; F304-F328 HydrophobicContact CD2-CD1 3.89Å; F304-F328 HydrophobicContact CD2-CD2 4Å; F304-F328 HydrophobicContact CD2-CE1 4.41Å; F304-F328 HydrophobicContact CD2-CE2 4.49Å; F304-F328 AromaticContact CD2-CG 3.68Å; F304-F328 HydrophobicContact CD2-CG 3.68Å; F304-F328 HydrophobicContact CE2-CB 4.23Å; F304-F328 HydrophobicContact CE2-CG 4.39Å; F304-F328 HydrophobicContact CG-CD1 4.38Å; K307-F328 HydrophobicContact CD-CD2 4.21Å; K307-F328 HydrophobicContact CD-CE2 3.85Å; E324-F328 WeakPolarHBondContact O-CB 3.35Å; E324-F328 PolarHBondContact O-N 2.89Å; W325-F328 AromaticContact CE3-CD1 3.96Å; W325-F328 HydrophobicContact CE3-CD1 3.96Å; W325-F328 AromaticContact CZ3-CD1 3.8Å; W325-F328 HydrophobicContact CZ3-CD1 3.8Å; W325-F328 HydrophobicContact CZ3-CE1 4.09Å; W325-F328 WeakPolarHBondContact O-CB 3.43Å; W325-F328 PolarHBondContact O-N 2.03Å; F328-S330 VanDerWaalsContact C-N 3.32Å; F328-S330 PolarHBondContact O-N 3.03Å; F328-S331 PolarHBondContact O-N 3.34Å; F328-S331 VanDerWaalsContact O-N 3.16Å; F328-Y332 HydrophobicContact CD1-CG 4.47Å; F328-Y332 HydrophobicContact CD2-CD1 4.45Å; F328-Y332 AromaticContact CD2-CD2 3.54Å; F328-Y332 HydrophobicContact CD2-CD2 3.54Å; F328-Y332 AromaticContact CD2-CE2 3.76Å; F328-Y332 HydrophobicContact CD2-CE2 3.76Å; F328-Y332 AromaticContact CD2-CG 3.98Å; F328-Y332 HydrophobicContact CD2-CG 3.98Å; F328-Y332 HydrophobicContact CE1-CD1 4.35Å; F328-Y332 HydrophobicContact CE1-CG 4.03Å; F328-Y332 AromaticContact CE2-CD1 3.55Å; F328-Y332 HydrophobicContact CE2-CD1 3.55Å; F328-Y332 AromaticContact CE2-CD2 3.46Å; F328-Y332 HydrophobicContact CE2-CD2 3.46Å; F328-Y332 VanDerWaalsContact CE2-CD2 3.46Å; F328-Y332 AromaticContact CE2-CE1 3.67Å; F328-Y332 HydrophobicContact CE2-CE1 3.67Å; F328-Y332 AromaticContact CE2-CE2 3.6Å; F328-Y332 HydrophobicContact CE2-CE2 3.6Å; F328-Y332 AromaticContact CE2-CG 3.48Å; F328-Y332 HydrophobicContact CE2-CG 3.48Å; F328-Y332 VanDerWaalsContact CE2-CG 3.48Å; F328-Y332 AromaticContact CE2-CZ 3.75Å; F328-Y332 HydrophobicContact CG-CD2 4.13Å; F328-Y332 HydrophobicContact CG-CG 4.44Å; F328-Y332 AromaticContact CZ-CD1 3.47Å; F328-Y332 HydrophobicContact CZ-CD1 3.47Å; F328-Y332 VanDerWaalsContact CZ-CD1 3.47Å; F328-Y332 AromaticContact CZ-CD2 3.98Å; F328-Y332 HydrophobicContact CZ-CD2 3.98Å; F328-Y332 AromaticContact CZ-CE1 3.99Å; F328-Y332 HydrophobicContact CZ-CE1 3.99Å; F328-Y332 HydrophobicContact CZ-CE2 4.46Å; F328-Y332 AromaticContact CZ-CG 3.51Å; F328-Y332 HydrophobicContact CZ-CG 3.51Å; F328-Y332 VanDerWaalsContact O-CB 3.3Å; F328-Y332 WeakPolarHBondContact O-CB 3.46Å; F328-Y332 WeakPolarHBondContact O-CD2 3.48Å; F328-Y332 PolarHBondContact O-N 3.12Å
329V97.1Very high94.7Very high0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-59.3-44.6-179.4172.60000111.1W325 P326 S331 Y332 A333 F406 M410 I414W325-V329 HydrophobicContact CD2-CG2 3.79Å; W325-V329 VanDerWaalsContact CE2-CG2 3.48Å; W325-V329 HydrophobicContact CE3-CG2 3.98Å; W325-V329 HydrophobicContact CH2-CG2 3.7Å; W325-V329 HydrophobicContact CZ2-CG2 3.48Å; W325-V329 VanDerWaalsContact CZ2-CG2 3.48Å; W325-V329 HydrophobicContact CZ3-CG2 3.92Å; W325-V329 WeakPolarHBondContact O-CG2 3.41Å; W325-V329 PolarHBondContact O-N 3.37Å; P326-V329 PolarHBondContact O-N 2.82Å; V329-S331 PolarHBondContact O-N 3.14Å; V329-Y332 PolarHBondContact O-N 2.8Å; V329-A333 HydrophobicContact CG1-CB 4.41Å; V329-A333 VanDerWaalsContact O-CB 3.23Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 2.63Å; V329-F406 HydrophobicContact CG2-CE1 4.27Å; V329-M410 HydrophobicContact CB-CG 4.46Å; V329-M410 HydrophobicContact CB-SD 4.16Å; V329-M410 HydrophobicContact CG1-CB 4.07Å; V329-M410 HydrophobicContact CG1-CG 3.84Å; V329-M410 HydrophobicContact CG1-SD 4.04Å; V329-M410 HydrophobicContact CG2-SD 4.11Å; V329-I414 HydrophobicContact CG1-CD1 4.01Å
330S96.3Very high95.2Very high63 Ų6348.5 Ų48.544%0.44126%0.258SS..Hα-helixtrans-61.3-29.2-179.5-57.90000112.9P326 E327 F328 P334P326-S330 WeakPolarHBondContact O-CB 3.41Å; P326-S330 PolarHBondContact O-N 2.74Å; P326-S330 PolarHBondContact O-OG 3.04Å; E327-S330 PolarHBondContact O-N 2.99Å; F328-S330 VanDerWaalsContact C-N 3.32Å; F328-S330 PolarHBondContact O-N 3.03Å; S330-P334 VanDerWaalsContact O-CD 3.28Å; S330-P334 WeakPolarHBondContact O-CD 3.37Å; S330-P334 WeakPolarHBondContact O-CG 3.26Å
331S95.4Very high95.7Very high79 Ų7950.7 Ų50.755%0.55227%0.27SS*.Hα-helixtrans-90.4-37.9178.3-54.80000112.8E327 F328 V329E327-S331 PolarHBondContact O-N 2.72Å; E327-S331 PolarHBondContact O-OG 2.82Å; F328-S331 PolarHBondContact O-N 3.34Å; F328-S331 VanDerWaalsContact O-N 3.16Å; V329-S331 PolarHBondContact O-N 3.14Å
332Y97.6Very high96.3Very high40 Ų4045.5 Ų45.516%0.15724%0.244CC..Hα-helixtrans-90.2-30.1-170.1-85.4-109.2000113.5F224 L300 E303 K307 F328 V329 W335 W336F224-Y332 HydrophobicContact CE2-CD1 4.13Å; F224-Y332 WeakPolarHBondContact CE2-O 3.37Å; F224-Y332 AromaticContact CZ-CD1 3.69Å; F224-Y332 HydrophobicContact CZ-CD1 3.69Å; F224-Y332 HydrophobicContact CZ-CG 4.37Å; L300-Y332 VanDerWaalsContact CD2-CB 3.45Å; E303-Y332 HydrophobicContact CG-CD1 4.11Å; E303-Y332 HydrophobicContact CG-CE1 3.89Å; K307-Y332 WeakPolarHBondContact CE-OH 3.32Å; K307-Y332 PolarHBondContact NZ-OH 3.43Å; F328-Y332 HydrophobicContact CD1-CG 4.47Å; F328-Y332 HydrophobicContact CD2-CD1 4.45Å; F328-Y332 AromaticContact CD2-CD2 3.54Å; F328-Y332 HydrophobicContact CD2-CD2 3.54Å; F328-Y332 AromaticContact CD2-CE2 3.76Å; F328-Y332 HydrophobicContact CD2-CE2 3.76Å; F328-Y332 AromaticContact CD2-CG 3.98Å; F328-Y332 HydrophobicContact CD2-CG 3.98Å; F328-Y332 HydrophobicContact CE1-CD1 4.35Å; F328-Y332 HydrophobicContact CE1-CG 4.03Å; F328-Y332 AromaticContact CE2-CD1 3.55Å; F328-Y332 HydrophobicContact CE2-CD1 3.55Å; F328-Y332 AromaticContact CE2-CD2 3.46Å; F328-Y332 HydrophobicContact CE2-CD2 3.46Å; F328-Y332 VanDerWaalsContact CE2-CD2 3.46Å; F328-Y332 AromaticContact CE2-CE1 3.67Å; F328-Y332 HydrophobicContact CE2-CE1 3.67Å; F328-Y332 AromaticContact CE2-CE2 3.6Å; F328-Y332 HydrophobicContact CE2-CE2 3.6Å; F328-Y332 AromaticContact CE2-CG 3.48Å; F328-Y332 HydrophobicContact CE2-CG 3.48Å; F328-Y332 VanDerWaalsContact CE2-CG 3.48Å; F328-Y332 AromaticContact CE2-CZ 3.75Å; F328-Y332 HydrophobicContact CG-CD2 4.13Å; F328-Y332 HydrophobicContact CG-CG 4.44Å; F328-Y332 AromaticContact CZ-CD1 3.47Å; F328-Y332 HydrophobicContact CZ-CD1 3.47Å; F328-Y332 VanDerWaalsContact CZ-CD1 3.47Å; F328-Y332 AromaticContact CZ-CD2 3.98Å; F328-Y332 HydrophobicContact CZ-CD2 3.98Å; F328-Y332 AromaticContact CZ-CE1 3.99Å; F328-Y332 HydrophobicContact CZ-CE1 3.99Å; F328-Y332 HydrophobicContact CZ-CE2 4.46Å; F328-Y332 AromaticContact CZ-CG 3.51Å; F328-Y332 HydrophobicContact CZ-CG 3.51Å; F328-Y332 VanDerWaalsContact O-CB 3.3Å; F328-Y332 WeakPolarHBondContact O-CB 3.46Å; F328-Y332 WeakPolarHBondContact O-CD2 3.48Å; F328-Y332 PolarHBondContact O-N 3.12Å; V329-Y332 PolarHBondContact O-N 2.8Å; Y332-W335 AromaticContact CD1-CE3 3.85Å; Y332-W335 HydrophobicContact CD1-CE3 3.85Å; Y332-W335 HydrophobicContact CD1-CZ3 4.08Å; Y332-W335 AromaticContact CE1-CE3 3.73Å; Y332-W335 HydrophobicContact CE1-CE3 3.73Å; Y332-W335 AromaticContact CE1-CZ3 3.51Å; Y332-W335 HydrophobicContact CE1-CZ3 3.51Å; Y332-W335 HydrophobicContact CG-CE3 4.5Å; Y332-W335 PolarHBondContact O-N 3.47Å; Y332-W336 PolarHBondContact O-N 3.37Å
333A98.1Very high96.7Very high1 Ų143.9 Ų43.91%0.00823%0.233CC..Hα-helixtrans-64.1-45.2177.200000112.6L300 V329 W335 W336 A337 I414 F417L300-A333 HydrophobicContact CD1-CB 4.13Å; V329-A333 HydrophobicContact CG1-CB 4.41Å; V329-A333 VanDerWaalsContact O-CB 3.23Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 2.63Å; A333-W335 VanDerWaalsContact C-N 3.27Å; A333-W335 PolarHBondContact O-N 2.92Å; A333-W336 PolarHBondContact O-N 2.9Å; A333-A337 PolarHBondContact O-N 2.78Å; A333-I414 HydrophobicContact CB-CG1 3.78Å; A333-F417 HydrophobicContact CB-CD2 4.13Å; A333-F417 HydrophobicContact CB-CE2 4.13Å
334P98.1Very high97Very high44 Ų4435.9 Ų35.929%0.28620%0.198SC..Hα-helixtrans-62.9-34.9173.2-19.931.2000112.6S330 A337 S338 F417S330-P334 VanDerWaalsContact O-CD 3.28Å; S330-P334 WeakPolarHBondContact O-CD 3.37Å; S330-P334 WeakPolarHBondContact O-CG 3.26Å; P334-A337 PolarHBondContact O-N 3.49Å; P334-S338 WeakPolarHBondContact O-CB 3.49Å; P334-S338 PolarHBondContact O-N 3.44Å; P334-S338 PolarHBondContact O-OG 2.91Å; P334-F417 HydrophobicContact CB-CE1 4.49Å; P334-F417 HydrophobicContact CB-CE2 4.02Å; P334-F417 HydrophobicContact CB-CZ 3.75Å; P334-F417 HydrophobicContact CG-CE2 3.73Å; P334-F417 HydrophobicContact CG-CZ 3.72Å
335W98Very high97.3Very high72 Ų7237.1 Ų37.127%0.27320%0.202SC..Hα-helixtrans-66.4-39.5177.9-178.527.7000112.4F224 P225 H276 Y332 A333 A337 S338 H339F224-W335 HydrophobicContact CD2-CD2 4.04Å; F224-W335 HydrophobicContact CD2-CE3 4.18Å; F224-W335 HydrophobicContact CD2-CG 4.28Å; F224-W335 HydrophobicContact CE2-CB 4.11Å; F224-W335 AromaticContact CE2-CD2 3.77Å; F224-W335 HydrophobicContact CE2-CD2 3.77Å; F224-W335 AromaticContact CE2-CE3 3.58Å; F224-W335 HydrophobicContact CE2-CE3 3.58Å; F224-W335 HydrophobicContact CE2-CG 4.02Å; F224-W335 HydrophobicContact CE2-CZ3 4.3Å; F224-W335 HydrophobicContact CZ-CE3 4.47Å; P225-W335 HydrophobicContact CG-CH2 3.42Å; P225-W335 VanDerWaalsContact CG-CH2 3.42Å; P225-W335 HydrophobicContact CG-CZ2 4.19Å; P225-W335 HydrophobicContact CG-CZ3 3.7Å; H276-W335 HydrophobicContact CB-CZ2 4.47Å; Y332-W335 AromaticContact CD1-CE3 3.85Å; Y332-W335 HydrophobicContact CD1-CE3 3.85Å; Y332-W335 HydrophobicContact CD1-CZ3 4.08Å; Y332-W335 AromaticContact CE1-CE3 3.73Å; Y332-W335 HydrophobicContact CE1-CE3 3.73Å; Y332-W335 AromaticContact CE1-CZ3 3.51Å; Y332-W335 HydrophobicContact CE1-CZ3 3.51Å; Y332-W335 HydrophobicContact CG-CE3 4.5Å; Y332-W335 PolarHBondContact O-N 3.47Å; A333-W335 VanDerWaalsContact C-N 3.27Å; A333-W335 PolarHBondContact O-N 2.92Å; W335-A337 VanDerWaalsContact C-N 3.25Å; W335-A337 PolarHBondContact O-N 3.48Å; W335-S338 WeakPolarHBondContact CA-OG 3.39Å; W335-S338 PolarHBondContact O-N 3.48Å; W335-S338 PolarHBondContact O-OG 3.41Å; W335-H339 WeakPolarHBondContact O-CB 3.39Å; W335-H339 PolarHBondContact O-N 3.09Å
336W98.5Very high97.5Very high6 Ų639.2 Ų39.22%0.02321%0.211CC..Hα-helixtrans-54.8-45.6173.5173.693.7000111.4F224 I293 R294 P296 Y332 A333 A340 F417 I418 V421 L433F224-W336 HydrophobicContact CD1-CB 4.3Å; F224-W336 AromaticContact CD1-CD1 3.8Å; F224-W336 HydrophobicContact CD1-CG 4.47Å; F224-W336 VanDerWaalsContact CD2-CA 3.5Å; F224-W336 HydrophobicContact CD2-CB 3.91Å; F224-W336 HydrophobicContact CE1-CB 4.35Å; F224-W336 HydrophobicContact CE2-CB 3.93Å; F224-W336 HydrophobicContact CG-CB 4.09Å; F224-W336 AromaticContact CG-CD1 3.89Å; F224-W336 HydrophobicContact CG-CG 4.39Å; F224-W336 HydrophobicContact CZ-CB 4.14Å; I293-W336 HydrophobicContact CG2-CZ2 3.99Å; R294-W336 PolarHBondContact O-NE1 3.03Å; P296-W336 HydrophobicContact CB-CD2 3.68Å; P296-W336 HydrophobicContact CB-CE3 4.06Å; P296-W336 HydrophobicContact CB-CG 4Å; P296-W336 HydrophobicContact CB-CH2 4.49Å; P296-W336 HydrophobicContact CB-CZ2 4.13Å; P296-W336 HydrophobicContact CB-CZ3 4.45Å; P296-W336 HydrophobicContact CG-CD2 4.29Å; P296-W336 HydrophobicContact CG-CE3 4.36Å; P296-W336 HydrophobicContact CG-CH2 4.05Å; P296-W336 HydrophobicContact CG-CZ2 3.94Å; P296-W336 HydrophobicContact CG-CZ3 4.25Å; Y332-W336 PolarHBondContact O-N 3.37Å; A333-W336 PolarHBondContact O-N 2.9Å; W336-A340 PolarHBondContact O-N 3.19Å; W336-F417 HydrophobicContact CE3-CB 4.4Å; W336-F417 HydrophobicContact CZ3-CB 4.3Å; W336-I418 HydrophobicContact CH2-CG1 4.26Å; W336-I418 HydrophobicContact CZ3-CG1 4.41Å; W336-V421 HydrophobicContact CE3-CG2 4.34Å; W336-V421 HydrophobicContact CH2-CB 4.04Å; W336-V421 HydrophobicContact CH2-CG1 4.21Å; W336-V421 HydrophobicContact CH2-CG2 4.02Å; W336-V421 HydrophobicContact CZ3-CB 4.1Å; W336-V421 HydrophobicContact CZ3-CG2 3.63Å; W336-L433 HydrophobicContact CH2-CD1 4.06Å
337A98.3Very high97.5Very high3 Ų337.5 Ų37.53%0.02520%0.203CC..Hα-helixtrans-68.4-53.2179.800000111.4A333 P334 W335 H339 A340 L341 F417 V421A333-A337 PolarHBondContact O-N 2.78Å; P334-A337 PolarHBondContact O-N 3.49Å; W335-A337 VanDerWaalsContact C-N 3.25Å; W335-A337 PolarHBondContact O-N 3.48Å; A337-H339 VanDerWaalsContact C-N 3.26Å; A337-H339 PolarHBondContact O-N 2.93Å; A337-A340 PolarHBondContact O-N 3.36Å; A337-L341 WeakPolarHBondContact O-CB 3.21Å; A337-L341 VanDerWaalsContact O-CG 3.24Å; A337-L341 WeakPolarHBondContact O-CG 3.43Å; A337-L341 PolarHBondContact O-N 3.09Å; A337-F417 HydrophobicContact CB-CB 3.76Å; A337-F417 HydrophobicContact CB-CD1 3.75Å; A337-F417 HydrophobicContact CB-CG 3.78Å; A337-V421 HydrophobicContact CB-CG2 4.13Å
338S98.3Very high97.3Very high56 Ų5638.6 Ų38.639%0.39221%0.208SC..Hα-helixtrans-62.3-34.5-176.6690000112.1P334 W335 L341 S342P334-S338 WeakPolarHBondContact O-CB 3.49Å; P334-S338 PolarHBondContact O-N 3.44Å; P334-S338 PolarHBondContact O-OG 2.91Å; W335-S338 WeakPolarHBondContact CA-OG 3.39Å; W335-S338 PolarHBondContact O-N 3.48Å; W335-S338 PolarHBondContact O-OG 3.41Å; S338-L341 PolarHBondContact O-N 3.2Å; S338-S342 VanDerWaalsContact O-CB 3.27Å; S338-S342 WeakPolarHBondContact O-CB 3.34Å; S338-S342 PolarHBondContact O-N 3.07Å; S338-S342 PolarHBondContact O-OG 3.37Å; S338-S342 VanDerWaalsContact O-OG 3.11Å
339H98.5Very high97.4Very high4 Ų444.6 Ų44.62%0.01923%0.23CC..Hα-helixtrans-60.3-53.7173.8-178.481.7000111.5S222 S223 S278 W335 A337 L341 S342 W343S222-H339 PolarHBondContact OG-CE1 2.82Å; S222-H339 PolarHBondContact OG-NE2 2.81Å; S222-H339 VanDerWaalsContact OG-NE2 3.09Å; S223-H339 WeakPolarHBondContact CA-NE2 3.43Å; S223-H339 PolarHBondContact N-NE2 3.42Å; S223-H339 PolarHBondContact O-NE2 2.82Å; S278-H339 PolarHBondContact OG-ND1 2.79Å; W335-H339 WeakPolarHBondContact O-CB 3.39Å; W335-H339 PolarHBondContact O-N 3.09Å; A337-H339 VanDerWaalsContact C-N 3.26Å; A337-H339 PolarHBondContact O-N 2.93Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 2.77Å; H339-S342 PolarHBondContact O-N 3.34Å; H339-W343 AromaticContact CE1-CD1 3.51Å; H339-W343 AromaticContact CE1-NE1 3.31Å; H339-W343 PolarHBondContact CE1-NE1 3.36Å; H339-W343 VanDerWaalsContact CE1-NE1 3.31Å; H339-W343 AromaticContact ND1-CD1 3.87Å; H339-W343 AromaticContact ND1-NE1 3.88Å; H339-W343 AromaticContact NE2-CD1 3.62Å; H339-W343 AromaticContact NE2-NE1 3.79Å; H339-W343 VanDerWaalsContact O-CD1 3.3Å; H339-W343 PolarHBondContact O-N 2.68Å; H339-W343 VanDerWaalsContact O-N 3.09Å
340A98.3Very high97.4Very high4 Ų445.9 Ų45.93%0.03324%0.236CC..Hα-helixtrans-59.9-45.5178.500000111.3I293 W336 A337 S342 W343 L344 V421I293-A340 HydrophobicContact CD1-CB 4.48Å; W336-A340 PolarHBondContact O-N 3.19Å; A337-A340 PolarHBondContact O-N 3.36Å; A340-S342 PolarHBondContact O-N 3.29Å; A340-W343 PolarHBondContact O-N 3.39Å; A340-L344 WeakPolarHBondContact O-CB 3.38Å; A340-L344 VanDerWaalsContact O-CG 3.25Å; A340-L344 WeakPolarHBondContact O-CG 3.44Å; A340-L344 PolarHBondContact O-N 3.21Å; A340-V421 HydrophobicContact CB-CG1 3.97Å; A340-V421 HydrophobicContact CB-CG2 4.21Å
341L98.6Very high97.5Very high54 Ų5444.5 Ų44.528%0.28322%0.224SC..Hα-helixtrans-63.8-39.9179.3-65.5174.3000112.7A337 S338 H339 L344 K345 T420 V421 A424A337-L341 WeakPolarHBondContact O-CB 3.21Å; A337-L341 VanDerWaalsContact O-CG 3.24Å; A337-L341 WeakPolarHBondContact O-CG 3.43Å; A337-L341 PolarHBondContact O-N 3.09Å; S338-L341 PolarHBondContact O-N 3.2Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 2.77Å; L341-L344 PolarHBondContact O-N 3.38Å; L341-K345 WeakPolarHBondContact O-CB 3.48Å; L341-K345 PolarHBondContact O-N 3.45Å; L341-T420 HydrophobicContact CD1-CG2 4Å; L341-T420 HydrophobicContact CD2-CG2 4.5Å; L341-V421 HydrophobicContact CD2-CG2 4.37Å; L341-V421 HydrophobicContact CG-CG2 4.27Å; L341-A424 HydrophobicContact CD2-CB 3.3Å
342S98.5Very high97.6Very high27 Ų2741.6 Ų41.619%0.18920%0.203CC..Hα-helixtrans-64.1-46.7176.5-77.20000111.8S278 S338 H339 A340 K345 F346S278-S342 VanDerWaalsContact O-CB 3.31Å; S278-S342 WeakPolarHBondContact O-CB 3.23Å; S278-S342 PolarHBondContact O-OG 2.5Å; S338-S342 VanDerWaalsContact O-CB 3.27Å; S338-S342 WeakPolarHBondContact O-CB 3.34Å; S338-S342 PolarHBondContact O-N 3.07Å; S338-S342 PolarHBondContact O-OG 3.37Å; S338-S342 VanDerWaalsContact O-OG 3.11Å; H339-S342 PolarHBondContact O-N 3.34Å; A340-S342 PolarHBondContact O-N 3.29Å; S342-K345 PolarHBondContact O-N 3.1Å; S342-K345 VanDerWaalsContact O-N 3.12Å; S342-F346 VanDerWaalsContact O-CD2 3.26Å; S342-F346 WeakPolarHBondContact O-CD2 3.35Å; S342-F346 PolarHBondContact O-N 3.49Å
343W98.4Very high97.6Very high1 Ų139.8 Ų39.80%0.00420%0.196CC..Hα-helixtrans-65.5-40.9177.6-82.493.7000111.9A220 S222 T275 E277 I283 F286 A289 L291 H339 A340 K345 G347 L350A220-W343 HydrophobicContact CB-CH2 3.66Å; A220-W343 HydrophobicContact CB-CZ3 4.05Å; S222-W343 VanDerWaalsContact OG-CZ2 3.29Å; S222-W343 WeakPolarHBondContact OG-CZ2 3.29Å; S222-W343 PolarHBondContact OG-NE1 3.09Å; T275-W343 HydrophobicContact CG2-CH2 4.18Å; T275-W343 HydrophobicContact CG2-CZ2 3.77Å; E277-W343 PolarHBondContact O-NE1 2.91Å; I283-W343 HydrophobicContact CB-CH2 4.37Å; I283-W343 HydrophobicContact CB-CZ3 4.34Å; I283-W343 HydrophobicContact CD1-CD2 4.15Å; I283-W343 HydrophobicContact CD1-CG 4.22Å; I283-W343 HydrophobicContact CG1-CD2 3.86Å; I283-W343 HydrophobicContact CG1-CE3 4.15Å; I283-W343 HydrophobicContact CG1-CG 4.45Å; I283-W343 HydrophobicContact CG1-CH2 4.04Å; I283-W343 HydrophobicContact CG1-CZ2 3.72Å; I283-W343 HydrophobicContact CG1-CZ3 4.21Å; I283-W343 HydrophobicContact CG2-CD2 4.31Å; I283-W343 HydrophobicContact CG2-CE3 3.81Å; I283-W343 HydrophobicContact CG2-CH2 4.34Å; I283-W343 HydrophobicContact CG2-CZ3 3.81Å; F286-W343 AromaticContact CD2-CH2 3.83Å; F286-W343 HydrophobicContact CD2-CH2 3.83Å; F286-W343 HydrophobicContact CE2-CH2 4.33Å; F286-W343 HydrophobicContact CG-CH2 4.43Å; A289-W343 HydrophobicContact CB-CE3 3.71Å; A289-W343 HydrophobicContact CB-CH2 4.34Å; A289-W343 HydrophobicContact CB-CZ3 3.43Å; A289-W343 VanDerWaalsContact CB-CZ3 3.43Å; L291-W343 HydrophobicContact CD1-CB 3.78Å; L291-W343 HydrophobicContact CD1-CG 4.05Å; L291-W343 HydrophobicContact CD2-CB 3.95Å; L291-W343 HydrophobicContact CG-CB 4.42Å; H339-W343 AromaticContact CE1-CD1 3.51Å; H339-W343 AromaticContact CE1-NE1 3.31Å; H339-W343 PolarHBondContact CE1-NE1 3.36Å; H339-W343 VanDerWaalsContact CE1-NE1 3.31Å; H339-W343 AromaticContact ND1-CD1 3.87Å; H339-W343 AromaticContact ND1-NE1 3.88Å; H339-W343 AromaticContact NE2-CD1 3.62Å; H339-W343 AromaticContact NE2-NE1 3.79Å; H339-W343 VanDerWaalsContact O-CD1 3.3Å; H339-W343 PolarHBondContact O-N 2.68Å; H339-W343 VanDerWaalsContact O-N 3.09Å; A340-W343 PolarHBondContact O-N 3.39Å; W343-K345 VanDerWaalsContact C-N 3.28Å; W343-K345 PolarHBondContact O-N 3.24Å; W343-G347 WeakPolarHBondContact O-CA 3.4Å; W343-G347 PolarHBondContact O-N 3.25Å; W343-L350 HydrophobicContact CE3-CD2 4.4Å; W343-L350 VanDerWaalsContact O-CD1 3.31Å; W343-L350 WeakPolarHBondContact O-CD1 3.27Å
344L97.9Very high97.6Very high1 Ų140.4 Ų40.41%0.00520%0.199CC..Hα-helixtrans-58.1-44.5170.6-72.5171.2000110.5L291 A340 L341 L350 V352 A424 L425 R428 F430L291-L344 HydrophobicContact CD2-CD2 4.21Å; L291-L344 HydrophobicContact CD2-CG 4.11Å; A340-L344 WeakPolarHBondContact O-CB 3.38Å; A340-L344 VanDerWaalsContact O-CG 3.25Å; A340-L344 WeakPolarHBondContact O-CG 3.44Å; A340-L344 PolarHBondContact O-N 3.21Å; L341-L344 PolarHBondContact O-N 3.38Å; L344-L350 HydrophobicContact CD2-CD1 4.22Å; L344-V352 HydrophobicContact CD2-CG2 4.44Å; L344-A424 HydrophobicContact CD1-CB 4Å; L344-L425 HydrophobicContact CD1-CD2 3.93Å; L344-L425 HydrophobicContact CD1-CG 4.03Å; L344-L425 HydrophobicContact CD2-CD2 3.74Å; L344-L425 HydrophobicContact CG-CD2 4.42Å; L344-R428 PolarHBondContact O-NE 3.41Å; L344-R428 PolarHBondContact O-NH1 3.46Å; L344-F430 HydrophobicContact CD2-CD2 4.02Å; L344-F430 HydrophobicContact CD2-CE2 3.99Å
345K97.4Very high97.5Very high133 Ų13339.1 Ų39.158%0.57819%0.188SC*.Hα-helixtrans-67.2-50.3-175.4-174.7172.4175.6-179.60114L341 S342 W343L341-K345 WeakPolarHBondContact O-CB 3.48Å; L341-K345 PolarHBondContact O-N 3.45Å; S342-K345 PolarHBondContact O-N 3.1Å; S342-K345 VanDerWaalsContact O-N 3.12Å; W343-K345 VanDerWaalsContact C-N 3.28Å; W343-K345 PolarHBondContact O-N 3.24Å
346F97.9Very high97.3Very high48 Ų4836.3 Ų36.321%0.21118%0.178CC..Hα-helixtrans-105.7-14.5-167.2-56.7-66.5000113.7Q280 I283 S342Q280-F346 HydrophobicContact CB-CD1 4.23Å; Q280-F346 HydrophobicContact CB-CD2 4.12Å; Q280-F346 HydrophobicContact CB-CE1 4.21Å; Q280-F346 HydrophobicContact CB-CE2 4.11Å; Q280-F346 HydrophobicContact CB-CG 4.18Å; Q280-F346 HydrophobicContact CB-CZ 4.14Å; Q280-F346 VanDerWaalsContact CD-CE1 3.49Å; Q280-F346 HydrophobicContact CG-CB 4.48Å; Q280-F346 HydrophobicContact CG-CD1 3.65Å; Q280-F346 HydrophobicContact CG-CD2 4.39Å; Q280-F346 HydrophobicContact CG-CE1 3.83Å; Q280-F346 HydrophobicContact CG-CG 3.94Å; Q280-F346 HydrophobicContact CG-CZ 4.28Å; I283-F346 HydrophobicContact CB-CB 4.3Å; I283-F346 HydrophobicContact CD1-CB 4.36Å; I283-F346 HydrophobicContact CD1-CD2 4.26Å; I283-F346 HydrophobicContact CG2-CB 3.79Å; S342-F346 VanDerWaalsContact O-CD2 3.26Å; S342-F346 WeakPolarHBondContact O-CD2 3.35Å; S342-F346 PolarHBondContact O-N 3.49Å
347G96.2Very high97.1Very high13 Ų1338 Ų3813%0.13419%0.186CC..  trans-69.3131.2176.900000111.8W343W343-G347 WeakPolarHBondContact O-CA 3.4Å; W343-G347 PolarHBondContact O-N 3.25Å
348Q90.4Very high96.9Very high147 Ų14737.9 Ų37.969%0.68719%0.185SC*.SBendtrans-77.8-55.7-177.3-61.2-176.919.300112.1
349R96.8Very high96.6Very high141 Ų14139.1 Ų39.153%0.53219%0.185SC..SBendtrans-123.3111.5178.7179179.9167.8-164.2-7.2109.7S288 A289 F372S288-R349 CarbonylContact C-O 3.47Å; S288-R349 WeakPolarHBondContact CA-O 3.38Å; S288-R349 WeakPolarHBondContact CB-O 3.39Å; A289-R349 PolarHBondContact N-O 3.21Å; R349-F372 HydrophobicContact CG-CE2 3.91Å; R349-F372 HydrophobicContact CG-CZ 4.24Å
350L97.9Very high96.2Very high26 Ų2648 Ų4814%0.13622%0.218CC..EExtended strand (participates in β ladder)trans-115.6137.6-173.9-62.4175000112.4A289 W343 L344 F430A289-L350 HydrophobicContact CB-CD2 3.77Å; A289-L350 CarbonylContact O-C 3.58Å; A289-L350 VanDerWaalsContact O-CA 3.32Å; A289-L350 WeakPolarHBondContact O-CA 3.45Å; W343-L350 HydrophobicContact CE3-CD2 4.4Å; W343-L350 VanDerWaalsContact O-CD1 3.31Å; W343-L350 WeakPolarHBondContact O-CD1 3.27Å; L344-L350 HydrophobicContact CD2-CD1 4.22Å; L350-F430 HydrophobicContact CB-CZ 3.97Å
351L98.3Very high96Very high35 Ų3549 Ų4918%0.18323%0.227CC..EExtended strand (participates in β ladder)trans-108.5112.7157.7177.669000108.2A289 I290 L291 V353 V369 F372A289-L351 PolarHBondContact O-N 3.47Å; I290-L351 CarbonylContact C-O 3.53Å; I290-L351 WeakPolarHBondContact CA-O 3.47Å; I290-L351 HydrophobicContact CG1-CB 4.49Å; I290-L351 HydrophobicContact CG1-CD2 4.36Å; L291-L351 PolarHBondContact N-O 3.41Å; L351-V353 HydrophobicContact CD2-CG2 3.84Å; L351-V353 HydrophobicContact CG-CG2 3.83Å; L351-V369 HydrophobicContact CD2-CG2 4.06Å; L351-F372 HydrophobicContact CB-CB 4.43Å; L351-F372 HydrophobicContact CB-CD1 4.07Å; L351-F372 HydrophobicContact CB-CD2 3.61Å; L351-F372 HydrophobicContact CB-CE1 4.16Å; L351-F372 HydrophobicContact CB-CE2 3.68Å; L351-F372 HydrophobicContact CB-CG 3.78Å; L351-F372 HydrophobicContact CB-CZ 3.95Å; L351-F372 HydrophobicContact CD2-CB 3.74Å; L351-F372 HydrophobicContact CD2-CD1 4.38Å; L351-F372 HydrophobicContact CD2-CD2 4.47Å; L351-F372 HydrophobicContact CD2-CG 3.97Å; L351-F372 HydrophobicContact CG-CD2 4.47Å; L351-F372 HydrophobicContact CG-CG 4.42Å
352V98.2Very high95.6Very high18 Ų1847.2 Ų47.211%0.10922%0.217CC..EExtended strand (participates in β ladder)trans-83.2125.8173.3-179.40000108.9I293 L344 L425 F430I293-V352 HydrophobicContact CD1-CG1 3.94Å; L344-V352 HydrophobicContact CD2-CG2 4.44Å; V352-L425 HydrophobicContact CG1-CD2 3.99Å; V352-L425 HydrophobicContact CG2-CD2 3.93Å; V352-F430 HydrophobicContact CB-CD1 4.07Å; V352-F430 HydrophobicContact CB-CE1 4.48Å; V352-F430 HydrophobicContact CG2-CD1 3.55Å; V352-F430 HydrophobicContact CG2-CD2 4.26Å; V352-F430 HydrophobicContact CG2-CE1 3.73Å; V352-F430 HydrophobicContact CG2-CE2 4.41Å; V352-F430 HydrophobicContact CG2-CG 3.85Å; V352-F430 HydrophobicContact CG2-CZ 4.17Å
353V97.8Very high95.2Very high2 Ų247.2 Ų47.21%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-124.8128.6178.3-179.40000109I290 L291 L292 I293 L351 L358 V369I290-V353 HydrophobicContact CG2-CB 4.34Å; I290-V353 HydrophobicContact CG2-CG2 3.73Å; L291-V353 PolarHBondContact O-N 3.33Å; L292-V353 CarbonylContact C-O 3.54Å; L292-V353 WeakPolarHBondContact CA-O 3.38Å; L292-V353 HydrophobicContact CD1-CG1 4.35Å; I293-V353 PolarHBondContact N-O 3.31Å; L351-V353 HydrophobicContact CD2-CG2 3.84Å; L351-V353 HydrophobicContact CG-CG2 3.83Å; V353-L358 HydrophobicContact CG1-CD1 3.5Å; V353-L358 VanDerWaalsContact CG1-CD1 3.5Å; V353-L358 HydrophobicContact CG1-CD2 4.49Å; V353-L358 HydrophobicContact CG1-CG 3.75Å; V353-V369 HydrophobicContact CG2-CG2 4.08Å
354H97.6Very high95.1Very high13 Ų1350.8 Ų50.86%0.0624%0.239CC..EExtended strand (participates in β ladder)trans-94.4128.9175.6-59.8-61.3000110.4I293 E356 E357 L358 P434I293-H354 CarbonylContact O-C 3.01Å; I293-H354 VanDerWaalsContact O-CA 3.3Å; I293-H354 WeakPolarHBondContact O-CA 3.04Å; H354-E356 VanDerWaalsContact C-N 3.32Å; H354-E356 PolarHBondContact O-N 3.32Å; H354-E357 HydrophobicContact CB-CB 4.04Å; H354-E357 WeakPolarHBondContact O-CB 3.01Å; H354-E357 PolarHBondContact O-N 3.38Å; H354-E357 VanDerWaalsContact O-N 3.07Å; H354-L358 PolarHBondContact O-N 3.2Å; H354-L358 VanDerWaalsContact O-N 3.1Å; H354-P434 HydrophobicContact CB-CG 3.9Å
355Y96.1Very high95Very high18 Ų1852.2 Ų52.27%0.07125%0.245CC..Hα-helixtrans-56.5-46.2-178.7175.1-87.9000111.7A227 W231 I293 R294 E357 L358 Q359A227-Y355 WeakPolarHBondContact O-CD2 3.22Å; W231-Y355 HydrophobicContact CD2-CE2 4.17Å; W231-Y355 AromaticContact CE3-CD2 3.79Å; W231-Y355 HydrophobicContact CE3-CD2 3.79Å; W231-Y355 AromaticContact CE3-CE2 3.18Å; W231-Y355 HydrophobicContact CE3-CE2 3.18Å; W231-Y355 AromaticContact CE3-CZ 3.87Å; W231-Y355 AromaticContact CZ3-CD2 3.8Å; W231-Y355 HydrophobicContact CZ3-CD2 3.8Å; W231-Y355 AromaticContact CZ3-CE2 3.43Å; W231-Y355 HydrophobicContact CZ3-CE2 3.43Å; W231-Y355 VanDerWaalsContact CZ3-CE2 3.43Å; W231-Y355 AromaticContact CZ3-CZ 3.85Å; I293-Y355 PolarHBondContact O-N 3.42Å; R294-Y355 HydrophobicContact CB-CG 4.2Å; R294-Y355 HydrophobicContact CG-CD1 3.89Å; R294-Y355 HydrophobicContact CG-CG 3.88Å; Y355-E357 VanDerWaalsContact C-N 3.26Å; Y355-E357 PolarHBondContact O-N 2.79Å; Y355-L358 WeakPolarHBondContact O-CB 3.41Å; Y355-L358 PolarHBondContact O-N 3.09Å; Y355-Q359 HydrophobicContact CD1-CG 4.19Å; Y355-Q359 HydrophobicContact CE1-CG 3.82Å; Y355-Q359 VanDerWaalsContact CE1-OE1 3.29Å; Y355-Q359 WeakPolarHBondContact O-CG 3.36Å; Y355-Q359 PolarHBondContact O-N 3.46Å; Y355-Q359 VanDerWaalsContact O-N 3.13Å
356E94.6Very high94.9Very high12 Ų1246 Ų466%0.05622%0.218CC..Hα-helixtrans-68.1-24.7179.5-76.383.4-177.500113.1R294 R298 H354 Q359 R360 E436 Y437R294-E356 IonicContact NE-OE1 3.7Å; R298-E356 WeakPolarHBondContact CD-OE1 3.46Å; R298-E356 IonicContact CZ-OE1 3.55Å; R298-E356 IonicContact NE-OE1 3.31Å; R298-E356 IonicContact NH1-OE1 2.78Å; R298-E356 PolarHBondContact NH1-OE1 2.82Å; H354-E356 VanDerWaalsContact C-N 3.32Å; H354-E356 PolarHBondContact O-N 3.32Å; E356-Q359 PolarHBondContact O-N 3.39Å; E356-R360 WeakPolarHBondContact O-CB 3.4Å; E356-R360 PolarHBondContact O-N 3.01Å; E356-E436 WeakPolarHBondContact CB-OE1 3.21Å; E356-E436 WeakPolarHBondContact CG-OE1 3.35Å; E356-Y437 HydrophobicContact CB-CE1 4.1Å; E356-Y437 HydrophobicContact CG-CE1 4.16Å; E356-Y437 WeakPolarHBondContact OE2-CE1 3.3Å; E356-Y437 VanDerWaalsContact OE2-CZ 3.27Å; E356-Y437 PolarHBondContact OE2-OH 3.19Å
357E94.3Very high94.8Very high41 Ų4148.4 Ų48.419%0.19223%0.226CC..Hα-helixtrans-71.2-39.4170.9-162.360.8-14900112.1H354 Y355 Q359 R360 A361 Q365H354-E357 HydrophobicContact CB-CB 4.04Å; H354-E357 WeakPolarHBondContact O-CB 3.01Å; H354-E357 PolarHBondContact O-N 3.38Å; H354-E357 VanDerWaalsContact O-N 3.07Å; Y355-E357 VanDerWaalsContact C-N 3.26Å; Y355-E357 PolarHBondContact O-N 2.79Å; E357-Q359 PolarHBondContact O-N 2.62Å; E357-R360 PolarHBondContact O-N 3.02Å; E357-R360 IonicContact OE1-CZ 3.93Å; E357-R360 IonicContact OE1-NE 3.31Å; E357-R360 PolarHBondContact OE1-NE 2.88Å; E357-R360 IonicContact OE1-NH2 2.67Å; E357-R360 PolarHBondContact OE1-NH2 3.46Å; E357-R360 IonicContact OE2-CZ 2.9Å; E357-R360 VanDerWaalsContact OE2-CZ 3.22Å; E357-R360 IonicContact OE2-NE 2.81Å; E357-R360 PolarHBondContact OE2-NE 3.31Å; E357-R360 IonicContact OE2-NH2 3.23Å; E357-R360 PolarHBondContact OE2-NH2 2.86Å; E357-A361 PolarHBondContact O-N 3.44Å; E357-Q365 HydrophobicContact CG-CG 3.95Å
358L93.4Very high94.9Very high2 Ų252 Ų521%0.0124%0.242CC..Hα-helixtrans-59.8-35171.2-83.6165000111.7W231 V232 L292 V353 H354 Y355 L362 Q365W231-L358 HydrophobicContact CH2-CB 4.07Å; W231-L358 HydrophobicContact CZ3-CB 3.95Å; V232-L358 HydrophobicContact CG1-CD1 4.47Å; V232-L358 HydrophobicContact CG2-CD1 3.74Å; L292-L358 HydrophobicContact CD1-CD1 4.26Å; V353-L358 HydrophobicContact CG1-CD1 3.5Å; V353-L358 VanDerWaalsContact CG1-CD1 3.5Å; V353-L358 HydrophobicContact CG1-CD2 4.49Å; V353-L358 HydrophobicContact CG1-CG 3.75Å; H354-L358 PolarHBondContact O-N 3.2Å; H354-L358 VanDerWaalsContact O-N 3.1Å; Y355-L358 WeakPolarHBondContact O-CB 3.41Å; Y355-L358 PolarHBondContact O-N 3.09Å; L358-L362 HydrophobicContact CD2-CD1 4.33Å; L358-L362 VanDerWaalsContact O-CA 3.24Å; L358-L362 WeakPolarHBondContact O-CA 3.36Å; L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 PolarHBondContact O-N 2.81Å; L358-Q365 HydrophobicContact CD2-CB 3.54Å; L358-Q365 HydrophobicContact CD2-CG 4.48Å; L358-Q365 HydrophobicContact CG-CB 4.17Å
359Q91.2Very high95.2Very high81 Ų8145.2 Ų45.238%0.37921%0.21SC..Hα-helixtrans-69.7-38.9175.5-62.1-167.3-72.300112.3W231 Y355 E356 E357W231-Q359 HydrophobicContact CH2-CG 3.77Å; W231-Q359 HydrophobicContact CZ3-CG 4.14Å; Y355-Q359 HydrophobicContact CD1-CG 4.19Å; Y355-Q359 HydrophobicContact CE1-CG 3.82Å; Y355-Q359 VanDerWaalsContact CE1-OE1 3.29Å; Y355-Q359 WeakPolarHBondContact O-CG 3.36Å; Y355-Q359 PolarHBondContact O-N 3.46Å; Y355-Q359 VanDerWaalsContact O-N 3.13Å; E356-Q359 PolarHBondContact O-N 3.39Å; E357-Q359 PolarHBondContact O-N 2.62Å
360R91.7Very high95.3Very high190 Ų19038.6 Ų38.672%0.71719%0.185SC*.Hα-helixtrans-80.7-39.8-175.3-173.9174.664.7162.93.2113.1E356 E357E356-R360 WeakPolarHBondContact O-CB 3.4Å; E356-R360 PolarHBondContact O-N 3.01Å; E357-R360 PolarHBondContact O-N 3.02Å; E357-R360 IonicContact OE1-CZ 3.93Å; E357-R360 IonicContact OE1-NE 3.31Å; E357-R360 PolarHBondContact OE1-NE 2.88Å; E357-R360 IonicContact OE1-NH2 2.67Å; E357-R360 PolarHBondContact OE1-NH2 3.46Å; E357-R360 IonicContact OE2-CZ 2.9Å; E357-R360 VanDerWaalsContact OE2-CZ 3.22Å; E357-R360 IonicContact OE2-NE 2.81Å; E357-R360 PolarHBondContact OE2-NE 3.31Å; E357-R360 IonicContact OE2-NH2 3.23Å; E357-R360 PolarHBondContact OE2-NH2 2.86Å
361A92.1Very high95.3Very high27 Ų2740.6 Ų40.622%0.22321%0.206CC..SBendtrans-134.458-171.700000111E357 L363 P364 Q365E357-A361 PolarHBondContact O-N 3.44Å; A361-L363 PolarHBondContact O-N 3.27Å; A361-P364 WeakPolarHBondContact O-CD 3.35Å; A361-Q365 WeakPolarHBondContact O-CB 3.26Å; A361-Q365 VanDerWaalsContact O-CG 3.23Å; A361-Q365 WeakPolarHBondContact O-CG 3.25Å; A361-Q365 PolarHBondContact O-N 3.05Å; A361-Q365 VanDerWaalsContact O-N 3.17Å
362L90.8Very high95.2Very high15 Ų1540 Ų408%0.07920%0.202CC..Hα-helixtrans-52.1-55.5-171.8-179.464.7000113.7L235 L358 Q365 L366 Q389L235-L362 HydrophobicContact CD1-CD1 3.69Å; L235-L362 HydrophobicContact CD2-CD1 4.05Å; L235-L362 HydrophobicContact CD2-CD2 4.47Å; L235-L362 HydrophobicContact CG-CD1 4.47Å; L358-L362 HydrophobicContact CD2-CD1 4.33Å; L358-L362 VanDerWaalsContact O-CA 3.24Å; L358-L362 WeakPolarHBondContact O-CA 3.36Å; L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 PolarHBondContact O-N 2.81Å; L362-Q365 PolarHBondContact O-N 3.47Å; L362-L366 HydrophobicContact CD1-CD1 3.83Å; L362-L366 HydrophobicContact CD1-CG 3.94Å; L362-L366 HydrophobicContact CD2-CD1 4.38Å; L362-L366 HydrophobicContact CG-CD1 3.81Å; L362-L366 HydrophobicContact CG-CG 4.27Å; L362-L366 WeakPolarHBondContact O-CB 3.44Å; L362-L366 WeakPolarHBondContact O-CG 3.47Å; L362-L366 PolarHBondContact O-N 3.1Å; L362-Q389 HydrophobicContact CD2-CB 3.89Å
363L91.5Very high95.2Very high27 Ų2740 Ų4014%0.14120%0.201CC..Hα-helixtrans-65.2-48.1-172.2-58.9-175.9000113.1I161 A361 Q365 L366 R367 L382 Q386I161-L363 HydrophobicContact CD1-CD1 3.72Å; A361-L363 PolarHBondContact O-N 3.27Å; L363-Q365 VanDerWaalsContact C-N 3.31Å; L363-Q365 PolarHBondContact O-N 3.39Å; L363-L366 PolarHBondContact O-N 3.31Å; L363-R367 WeakPolarHBondContact O-CG 2.89Å; L363-R367 PolarHBondContact O-N 3.23Å; L363-L382 HydrophobicContact CD2-CB 4.12Å; L363-L382 HydrophobicContact CD2-CD2 4.01Å; L363-L382 WeakPolarHBondContact CD2-O 3.26Å; L363-Q386 HydrophobicContact CD2-CB 4.17Å
364P94.4Very high95.1Very high76 Ų7647.1 Ų47.149%0.49424%0.239SC..Hα-helixtrans-56.2-43.5173-2735000113.2A361 R367 L368A361-P364 WeakPolarHBondContact O-CD 3.35Å; P364-R367 WeakPolarHBondContact O-CB 3.29Å; P364-R367 PolarHBondContact O-N 3Å; P364-L368 PolarHBondContact O-N 3.08Å; P364-L368 VanDerWaalsContact O-N 3.12Å
365Q96.4Very high94.9Very high32 Ų3247.6 Ų47.615%0.1524%0.243CC..Hα-helixtrans-66.4-39.2179.6-67.6-60.3-43.600112.1E357 L358 A361 L362 L363 R367 L368 V369E357-Q365 HydrophobicContact CG-CG 3.95Å; L358-Q365 HydrophobicContact CD2-CB 3.54Å; L358-Q365 HydrophobicContact CD2-CG 4.48Å; L358-Q365 HydrophobicContact CG-CB 4.17Å; A361-Q365 WeakPolarHBondContact O-CB 3.26Å; A361-Q365 VanDerWaalsContact O-CG 3.23Å; A361-Q365 WeakPolarHBondContact O-CG 3.25Å; A361-Q365 PolarHBondContact O-N 3.05Å; A361-Q365 VanDerWaalsContact O-N 3.17Å; L362-Q365 PolarHBondContact O-N 3.47Å; L363-Q365 VanDerWaalsContact C-N 3.31Å; L363-Q365 PolarHBondContact O-N 3.39Å; Q365-R367 VanDerWaalsContact C-N 3.32Å; Q365-R367 PolarHBondContact O-N 2.94Å; Q365-L368 WeakPolarHBondContact O-CB 3.3Å; Q365-L368 PolarHBondContact O-N 3.23Å; Q365-V369 WeakPolarHBondContact O-CG2 3.1Å; Q365-V369 PolarHBondContact O-N 3.39Å
366L96.3Very high94.7Very high2 Ų252.5 Ų52.51%0.0128%0.28CS..Hα-helixtrans-62.9-36.7174.2-76.1177.8000112.6L235 V239 L362 L363 V369 A370 L382 A385L235-L366 HydrophobicContact CB-CD2 3.9Å; V239-L366 HydrophobicContact CB-CD1 4.42Å; V239-L366 HydrophobicContact CB-CD2 4.5Å; V239-L366 HydrophobicContact CG1-CD2 4.12Å; V239-L366 HydrophobicContact CG2-CB 4.34Å; V239-L366 HydrophobicContact CG2-CD1 4.47Å; L362-L366 HydrophobicContact CD1-CD1 3.83Å; L362-L366 HydrophobicContact CD1-CG 3.94Å; L362-L366 HydrophobicContact CD2-CD1 4.38Å; L362-L366 HydrophobicContact CG-CD1 3.81Å; L362-L366 HydrophobicContact CG-CG 4.27Å; L362-L366 WeakPolarHBondContact O-CB 3.44Å; L362-L366 WeakPolarHBondContact O-CG 3.47Å; L362-L366 PolarHBondContact O-N 3.1Å; L363-L366 PolarHBondContact O-N 3.31Å; L366-V369 PolarHBondContact O-N 2.99Å; L366-A370 WeakPolarHBondContact O-CB 3.29Å; L366-A370 PolarHBondContact O-N 3.14Å; L366-L382 HydrophobicContact CB-CD2 3.96Å; L366-L382 HydrophobicContact CD1-CD2 4.39Å; L366-A385 HydrophobicContact CD1-CB 3.73Å
367R95.9Very high94.5Very high99 Ų9953.5 Ų53.537%0.37429%0.285SS..Hα-helixtrans-63.2-43.5173.2-69.2-173.8-171.3-79.31.7111.8L363 P364 Q365 V369 A370 A371 I377 E379 L382L363-R367 WeakPolarHBondContact O-CG 2.89Å; L363-R367 PolarHBondContact O-N 3.23Å; P364-R367 WeakPolarHBondContact O-CB 3.29Å; P364-R367 PolarHBondContact O-N 3Å; Q365-R367 VanDerWaalsContact C-N 3.32Å; Q365-R367 PolarHBondContact O-N 2.94Å; R367-V369 VanDerWaalsContact C-N 3.35Å; R367-A370 PolarHBondContact O-N 3.08Å; R367-A371 VanDerWaalsContact O-CB 3.27Å; R367-A371 WeakPolarHBondContact O-CB 3.44Å; R367-A371 PolarHBondContact O-N 3.34Å; R367-I377 HydrophobicContact CG-CD1 4.09Å; R367-E379 IonicContact CZ-OE1 3.91Å; R367-E379 VanDerWaalsContact CZ-OE1 3.23Å; R367-E379 IonicContact CZ-OE2 3.77Å; R367-E379 IonicContact NH1-OE1 3.85Å; R367-E379 PolarHBondContact NH1-OE1 2.93Å; R367-E379 IonicContact NH2-OE1 3.89Å; R367-E379 PolarHBondContact NH2-OE1 3.1Å; R367-E379 IonicContact NH2-OE2 3.07Å; R367-E379 PolarHBondContact NH2-OE2 2.78Å; R367-L382 HydrophobicContact CG-CD1 4.16Å; R367-L382 HydrophobicContact CG-CD2 4.36Å
368L97.1Very high94Very high89 Ų8955.1 Ų55.147%0.46630%0.298SS..Hα-helixtrans-60.6-45.2176.3-68.5173.4000111.4P364 Q365 A371 F372P364-L368 PolarHBondContact O-N 3.08Å; P364-L368 VanDerWaalsContact O-N 3.12Å; Q365-L368 WeakPolarHBondContact O-CB 3.3Å; Q365-L368 PolarHBondContact O-N 3.23Å; L368-A371 PolarHBondContact O-N 3.17Å; L368-F372 WeakPolarHBondContact O-CB 3.38Å; L368-F372 PolarHBondContact O-N 2.63Å
369V98.1Very high93.3Very high4 Ų458.6 Ų58.62%0.02431%0.314CS..Hα-helixtrans-62.3-48.2177.21700000111.3I236 I290 L351 V353 Q365 L366 R367 A371 F372 L373I236-V369 HydrophobicContact CD1-CG1 4.08Å; I236-V369 HydrophobicContact CG1-CG1 3.82Å; I290-V369 HydrophobicContact CD1-CG1 3.84Å; L351-V369 HydrophobicContact CD2-CG2 4.06Å; V353-V369 HydrophobicContact CG2-CG2 4.08Å; Q365-V369 WeakPolarHBondContact O-CG2 3.1Å; Q365-V369 PolarHBondContact O-N 3.39Å; L366-V369 PolarHBondContact O-N 2.99Å; R367-V369 VanDerWaalsContact C-N 3.35Å; V369-A371 PolarHBondContact O-N 2.91Å; V369-F372 PolarHBondContact O-N 3.36Å; V369-L373 HydrophobicContact CG1-CD1 3.84Å; V369-L373 VanDerWaalsContact O-CG 3.28Å; V369-L373 WeakPolarHBondContact O-CG 3.33Å; V369-L373 PolarHBondContact O-N 2.79Å
370A97.1Very high92.6Very high1 Ų158.1 Ų58.11%0.00831%0.312CS..Hα-helixtrans-63.2-41.2179.100000112.7L366 R367 F372 L373 N374 V375 I377L366-A370 WeakPolarHBondContact O-CB 3.29Å; L366-A370 PolarHBondContact O-N 3.14Å; R367-A370 PolarHBondContact O-N 3.08Å; A370-F372 VanDerWaalsContact C-N 3.35Å; A370-F372 PolarHBondContact O-N 3.16Å; A370-L373 CarbonylContact O-C 3.49Å; A370-L373 PolarHBondContact O-N 3.06Å; A370-N374 PolarHBondContact O-N 3.17Å; A370-N374 VanDerWaalsContact O-N 3.1Å; A370-V375 PolarHBondContact O-N 2.95Å; A370-I377 HydrophobicContact CB-CD1 3.78Å; A370-I377 HydrophobicContact CB-CG1 4.18Å; A370-I377 HydrophobicContact CB-CG2 3.56Å
371A97.7Very high92.3Very high68 Ų6851 Ų5156%0.56229%0.285SS*.Hα-helixtrans-62.6-41.9175.600000111.6R367 L368 V369 L373 N374R367-A371 VanDerWaalsContact O-CB 3.27Å; R367-A371 WeakPolarHBondContact O-CB 3.44Å; R367-A371 PolarHBondContact O-N 3.34Å; L368-A371 PolarHBondContact O-N 3.17Å; V369-A371 PolarHBondContact O-N 2.91Å; A371-L373 VanDerWaalsContact C-N 3.32Å; A371-L373 PolarHBondContact O-N 3.13Å; A371-N374 PolarHBondContact O-N 3.47Å
372F98Very high91.9Very high24 Ų2449.8 Ų49.811%0.10528%0.275CS..Hα-helixtrans-63.2-39.1175.3-177.7-96000112.5V219 I290 R349 L351 L368 V369 A370 N374V219-F372 HydrophobicContact CG1-CE1 3.96Å; I290-F372 HydrophobicContact CD1-CD1 4.33Å; I290-F372 HydrophobicContact CG1-CD1 3.73Å; I290-F372 HydrophobicContact CG1-CE1 3.83Å; R349-F372 HydrophobicContact CG-CE2 3.91Å; R349-F372 HydrophobicContact CG-CZ 4.24Å; L351-F372 HydrophobicContact CB-CB 4.43Å; L351-F372 HydrophobicContact CB-CD1 4.07Å; L351-F372 HydrophobicContact CB-CD2 3.61Å; L351-F372 HydrophobicContact CB-CE1 4.16Å; L351-F372 HydrophobicContact CB-CE2 3.68Å; L351-F372 HydrophobicContact CB-CG 3.78Å; L351-F372 HydrophobicContact CB-CZ 3.95Å; L351-F372 HydrophobicContact CD2-CB 3.74Å; L351-F372 HydrophobicContact CD2-CD1 4.38Å; L351-F372 HydrophobicContact CD2-CD2 4.47Å; L351-F372 HydrophobicContact CD2-CG 3.97Å; L351-F372 HydrophobicContact CG-CD2 4.47Å; L351-F372 HydrophobicContact CG-CG 4.42Å; L368-F372 WeakPolarHBondContact O-CB 3.38Å; L368-F372 PolarHBondContact O-N 2.63Å; V369-F372 PolarHBondContact O-N 3.36Å; A370-F372 VanDerWaalsContact C-N 3.35Å; A370-F372 PolarHBondContact O-N 3.16Å; F372-N374 PolarHBondContact O-N 2.84Å
373L97.4Very high91.2Very high17 Ų1749.7 Ų49.79%0.08927%0.274CS..THydrogen-bonded Turntrans-73.5-2.6174.5-65.3170.8000113.5V219 I236 T240 V271 C272 I290 V369 A370 A371 V375V219-L373 HydrophobicContact CB-CD2 4.17Å; V219-L373 HydrophobicContact CG1-CD2 3.79Å; V219-L373 HydrophobicContact CG2-CD2 4.31Å; I236-L373 HydrophobicContact CG2-CD1 3.97Å; T240-L373 HydrophobicContact CG2-CD1 4.48Å; V271-L373 HydrophobicContact CG2-CB 4.25Å; V271-L373 HydrophobicContact CG2-CD1 4.03Å; V271-L373 HydrophobicContact CG2-CD2 4.43Å; V271-L373 HydrophobicContact CG2-CG 4.47Å; C272-L373 HydrophobicContact CB-CD2 4Å; I290-L373 HydrophobicContact CD1-CD1 4.25Å; I290-L373 HydrophobicContact CD1-CD2 3.97Å; I290-L373 HydrophobicContact CD1-CG 4.11Å; V369-L373 HydrophobicContact CG1-CD1 3.84Å; V369-L373 VanDerWaalsContact O-CG 3.28Å; V369-L373 WeakPolarHBondContact O-CG 3.33Å; V369-L373 PolarHBondContact O-N 2.79Å; A370-L373 CarbonylContact O-C 3.49Å; A370-L373 PolarHBondContact O-N 3.06Å; A371-L373 VanDerWaalsContact C-N 3.32Å; A371-L373 PolarHBondContact O-N 3.13Å; L373-V375 HydrophobicContact CB-CG2 4.18Å; L373-V375 PolarHBondContact O-N 3.15Å
374N95.6Very high90.6Very high152 Ų15248.4 Ų48.481%0.81327%0.268SS*.THydrogen-bonded Turntrans5636.8-175.9-164.642.6000113.2A370 A371 F372A370-N374 PolarHBondContact O-N 3.17Å; A370-N374 VanDerWaalsContact O-N 3.1Å; A371-N374 PolarHBondContact O-N 3.47Å; F372-N374 PolarHBondContact O-N 2.84Å
375V94.4Very high90.2Very high22 Ų2244.8 Ų44.813%0.13324%0.244CC..  trans-108.9125.4177.5178.10000109.4T240 Y242 V271 A370 L373 I377T240-V375 HydrophobicContact CG2-CB 4.3Å; T240-V375 HydrophobicContact CG2-CG1 4.1Å; Y242-V375 HydrophobicContact CD2-CG1 4.21Å; Y242-V375 HydrophobicContact CD2-CG2 4.35Å; Y242-V375 HydrophobicContact CE2-CG1 4.03Å; V271-V375 HydrophobicContact CG2-CG2 3.84Å; A370-V375 PolarHBondContact O-N 2.95Å; L373-V375 HydrophobicContact CB-CG2 4.18Å; L373-V375 PolarHBondContact O-N 3.15Å; V375-I377 HydrophobicContact CG1-CG2 4.3Å
376S91.3Very high89.6Confident121 Ų12146.9 Ų46.985%0.84625%0.254SS*.  trans-72130.816965.10000109.7
377I89.4Confident88.6Confident34 Ų3447.9 Ų47.917%0.17426%0.261CS..  trans-119.6143.1179.560.5172.1000109.4V239 R367 A370 V375 L382V239-I377 HydrophobicContact CG2-CB 4.26Å; V239-I377 HydrophobicContact CG2-CD1 3.71Å; V239-I377 HydrophobicContact CG2-CG2 4.11Å; V239-I377 VanDerWaalsContact O-CG2 3.26Å; V239-I377 WeakPolarHBondContact O-CG2 3.17Å; R367-I377 HydrophobicContact CG-CD1 4.09Å; A370-I377 HydrophobicContact CB-CD1 3.78Å; A370-I377 HydrophobicContact CB-CG1 4.18Å; A370-I377 HydrophobicContact CB-CG2 3.56Å; V375-I377 HydrophobicContact CG1-CG2 4.3Å; I377-L382 HydrophobicContact CD1-CD1 3.83Å; I377-L382 HydrophobicContact CD1-CD2 3.83Å; I377-L382 HydrophobicContact CD1-CG 3.85Å; I377-L382 HydrophobicContact CG1-CD1 4.42Å
378T84.7Confident87.6Confident75 Ų7545.3 Ų45.346%0.4626%0.255SS..  trans-91.515417660.20000110E380 R381 L382T378-E380 PolarHBondContact O-N 3.18Å; T378-E380 VanDerWaalsContact O-N 3.15Å; T378-R381 PolarHBondContact O-N 3.05Å; T378-R381 WeakPolarHBondContact OG1-CG 3.28Å; T378-R381 PolarHBondContact OG1-N 2.98Å; T378-L382 PolarHBondContact O-N 2.73Å
379E78.6Confident86.9Confident75 Ų7543.9 Ų43.935%0.3525%0.246SC..Hα-helixtrans-53.4-35.3170.4-67.8-50.7123.100111.2R367 R381 L382 L383R367-E379 IonicContact CZ-OE1 3.91Å; R367-E379 VanDerWaalsContact CZ-OE1 3.23Å; R367-E379 IonicContact CZ-OE2 3.77Å; R367-E379 IonicContact NH1-OE1 3.85Å; R367-E379 PolarHBondContact NH1-OE1 2.93Å; R367-E379 IonicContact NH2-OE1 3.89Å; R367-E379 PolarHBondContact NH2-OE1 3.1Å; R367-E379 IonicContact NH2-OE2 3.07Å; R367-E379 PolarHBondContact NH2-OE2 2.78Å; E379-R381 PolarHBondContact O-N 3.47Å; E379-L382 WeakPolarHBondContact O-CB 3.5Å; E379-L382 PolarHBondContact O-N 2.96Å; E379-L383 WeakPolarHBondContact O-CG 3.5Å; E379-L383 PolarHBondContact O-N 3.3Å
380E76.3Confident85.7Confident71 Ų7146.6 Ų46.633%0.33226%0.26SS..Hα-helixtrans-57.5-44.1176.3-64.9-162.2154.500114.3R204 T378 L383 C384R204-E380 WeakPolarHBondContact CD-OE2 3.21Å; R204-E380 IonicContact NH1-OE1 3.15Å; R204-E380 PolarHBondContact NH2-O 2.98Å; T378-E380 PolarHBondContact O-N 3.18Å; T378-E380 VanDerWaalsContact O-N 3.15Å; E380-L383 PolarHBondContact O-N 3.15Å; E380-C384 WeakPolarHBondContact O-CB 3.32Å; E380-C384 PolarHBondContact O-N 2.82Å
381R84.4Confident84.4Confident41 Ų4148.2 Ų48.216%0.15528%0.277CS..Hα-helixtrans-69.5-32.9177.2-75.1-78.8-177.3174.3-1.3112.4R204 E207 L238 V239 T378 E379 C384 A385R204-R381 PolarHBondContact O-NE 3.13Å; R204-R381 PolarHBondContact O-NH1 2.84Å; R204-R381 PolarHBondContact O-NH2 2.98Å; E207-R381 PolarHBondContact O-NH1 2.99Å; E207-R381 VanDerWaalsContact O-NH1 3.08Å; E207-R381 PolarHBondContact O-NH2 3.14Å; L238-R381 WeakPolarHBondContact O-CD 3.36Å; V239-R381 VanDerWaalsContact O-CB 3.29Å; V239-R381 WeakPolarHBondContact O-CB 3.36Å; T378-R381 PolarHBondContact O-N 3.05Å; T378-R381 WeakPolarHBondContact OG1-CG 3.28Å; T378-R381 PolarHBondContact OG1-N 2.98Å; E379-R381 PolarHBondContact O-N 3.47Å; R381-C384 WeakPolarHBondContact O-CB 3.26Å; R381-A385 WeakPolarHBondContact O-CB 3.49Å; R381-A385 PolarHBondContact O-N 3.17Å
382L85Confident82.8Confident1 Ų150.7 Ų50.71%0.00528%0.276CS..Hα-helixtrans-68.4-43.8174.7-77.2163.6000112.1V239 L363 L366 R367 I377 T378 E379 C384 A385 Q386V239-L382 HydrophobicContact CG2-CD2 3.58Å; V239-L382 HydrophobicContact CG2-CG 3.93Å; L363-L382 HydrophobicContact CD2-CB 4.12Å; L363-L382 HydrophobicContact CD2-CD2 4.01Å; L363-L382 WeakPolarHBondContact CD2-O 3.26Å; L366-L382 HydrophobicContact CB-CD2 3.96Å; L366-L382 HydrophobicContact CD1-CD2 4.39Å; R367-L382 HydrophobicContact CG-CD1 4.16Å; R367-L382 HydrophobicContact CG-CD2 4.36Å; I377-L382 HydrophobicContact CD1-CD1 3.83Å; I377-L382 HydrophobicContact CD1-CD2 3.83Å; I377-L382 HydrophobicContact CD1-CG 3.85Å; I377-L382 HydrophobicContact CG1-CD1 4.42Å; T378-L382 PolarHBondContact O-N 2.73Å; E379-L382 WeakPolarHBondContact O-CB 3.5Å; E379-L382 PolarHBondContact O-N 2.96Å; L382-C384 VanDerWaalsContact C-N 3.31Å; L382-C384 PolarHBondContact O-N 3.47Å; L382-A385 PolarHBondContact O-N 2.8Å; L382-Q386 PolarHBondContact O-N 3Å
383L76.4Confident81.2Confident12 Ų1251.2 Ų51.26%0.06328%0.279CS..Hα-helixtrans-62.9-41.1175.1-66.6170.5000111.6I161 E379 E380 Q386 S387I161-L383 HydrophobicContact CB-CD2 4.22Å; I161-L383 HydrophobicContact CD1-CD2 4.17Å; E379-L383 WeakPolarHBondContact O-CG 3.5Å; E379-L383 PolarHBondContact O-N 3.3Å; E380-L383 PolarHBondContact O-N 3.15Å; L383-Q386 PolarHBondContact O-N 3.42Å; L383-S387 PolarHBondContact O-N 3.24Å; L383-S387 VanDerWaalsContact O-N 3.07Å; L383-S387 PolarHBondContact O-OG 2.94Å
384C79.3Confident79.7Confident1 Ų155.7 Ų55.71%0.00730%0.298CS..Hα-helixtrans-55.6-50171.1161.70000111.8C205 E380 R381 L382 Q386 S387 N388C205-C384 WeakPolarHBondContact CA-SG 3.29Å; C205-C384 HydrophobicContact CB-CB 4.32Å; C205-C384 WeakPolarHBondContact CB-SG 3.36Å; C205-C384 WeakPolarHBondContact SG-CA 3.27Å; C205-C384 WeakPolarHBondContact SG-CB 3.31Å; C205-C384 CovalentContact SG-SG 2Å; C205-C384 PolarHBondContact SG-SG 2.99Å; E380-C384 WeakPolarHBondContact O-CB 3.32Å; E380-C384 PolarHBondContact O-N 2.82Å; R381-C384 WeakPolarHBondContact O-CB 3.26Å; L382-C384 VanDerWaalsContact C-N 3.31Å; L382-C384 PolarHBondContact O-N 3.47Å; C384-Q386 VanDerWaalsContact C-N 3.32Å; C384-Q386 PolarHBondContact O-N 3.42Å; C384-S387 PolarHBondContact O-N 3.5Å; C384-N388 WeakPolarHBondContact O-CB 3.24Å; C384-N388 PolarHBondContact O-N 3.2Å; C384-N388 VanDerWaalsContact O-N 3.09Å; C384-N388 PolarHBondContact O-ND2 3.4Å
385A85.1Confident78.2Confident0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-61.3-39.7179.500000112.1L238 V239 L366 R381 L382 N388 Q389L238-A385 HydrophobicContact CB-CB 4.07Å; V239-A385 HydrophobicContact CB-CB 4.42Å; L366-A385 HydrophobicContact CD1-CB 3.73Å; R381-A385 WeakPolarHBondContact O-CB 3.49Å; R381-A385 PolarHBondContact O-N 3.17Å; L382-A385 PolarHBondContact O-N 2.8Å; A385-N388 CarbonylContact O-C 3.57Å; A385-N388 PolarHBondContact O-N 3.31Å; A385-Q389 WeakPolarHBondContact O-CA 3.04Å; A385-Q389 VanDerWaalsContact O-CB 3.31Å; A385-Q389 WeakPolarHBondContact O-CB 3.35Å; A385-Q389 PolarHBondContact O-N 3.19Å
386Q82.7Confident76.2Confident75 Ų7554.8 Ų54.835%0.3529%0.293SS..Hα-helixtrans-63.1-49.6176.9-168.3177.526.600112.4I161 L363 L382 L383 C384 N388I161-Q386 VanDerWaalsContact CD1-OE1 3.32Å; L363-Q386 HydrophobicContact CD2-CB 4.17Å; L382-Q386 PolarHBondContact O-N 3Å; L383-Q386 PolarHBondContact O-N 3.42Å; C384-Q386 VanDerWaalsContact C-N 3.32Å; C384-Q386 PolarHBondContact O-N 3.42Å; Q386-N388 PolarHBondContact O-N 2.98Å
387S75.6Confident74.3Confident23 Ų2351.8 Ų51.816%0.16128%0.282CS..Hα-helixtrans-68.1-24.1-178.8-630000113.2H197 L383 C384H197-S387 PolarHBondContact CD2-OG 2.79Å; H197-S387 PolarHBondContact CE1-OG 2.04Å; H197-S387 PolarHBondContact ND1-OG 3.39Å; H197-S387 PolarHBondContact NE2-OG 3.06Å; L383-S387 PolarHBondContact O-N 3.24Å; L383-S387 VanDerWaalsContact O-N 3.07Å; L383-S387 PolarHBondContact O-OG 2.94Å; C384-S387 PolarHBondContact O-N 3.5Å
388N76.4Confident72.6Confident45 Ų4554.4 Ų54.424%0.24131%0.309CS..THydrogen-bonded Turntrans-120.221.7-173-60.7-79.6000112.8L201 C205 H234 L238 C384 A385 Q386 D390 G391L201-N388 HydrophobicContact CD1-CB 4.15Å; L201-N388 WeakPolarHBondContact CD1-OD1 3.44Å; C205-N388 PolarHBondContact SG-ND2 2.91Å; C205-N388 VanDerWaalsContact SG-ND2 3.36Å; H234-N388 PolarHBondContact NE2-O 2.92Å; L238-N388 HydrophobicContact CD1-CB 3.87Å; C384-N388 WeakPolarHBondContact O-CB 3.24Å; C384-N388 PolarHBondContact O-N 3.2Å; C384-N388 VanDerWaalsContact O-N 3.09Å; C384-N388 PolarHBondContact O-ND2 3.4Å; A385-N388 CarbonylContact O-C 3.57Å; A385-N388 PolarHBondContact O-N 3.31Å; Q386-N388 PolarHBondContact O-N 2.98Å; N388-D390 VanDerWaalsContact C-N 3.31Å; N388-D390 PolarHBondContact O-N 2.72Å; N388-G391 PolarHBondContact O-N 2.99Å
389Q80.6Confident71.3Confident60 Ų6057.3 Ų57.328%0.2832%0.317SS..THydrogen-bonded Turntrans-59-37-170.159.6179.8-19.600113.7W231 L235 L362 A385W231-Q389 PolarHBondContact NE1-O 2.91Å; L235-Q389 HydrophobicContact CD2-CB 4.02Å; L362-Q389 HydrophobicContact CD2-CB 3.89Å; A385-Q389 WeakPolarHBondContact O-CA 3.04Å; A385-Q389 VanDerWaalsContact O-CB 3.31Å; A385-Q389 WeakPolarHBondContact O-CB 3.35Å; A385-Q389 PolarHBondContact O-N 3.19Å
390D73.1Confident70.6Confident61 Ų6162.2 Ų62.233%0.32633%0.332SS..THydrogen-bonded Turntrans-79.2-29.7-172.2-75.5-50.3000113.1N388 K394N388-D390 VanDerWaalsContact C-N 3.31Å; N388-D390 PolarHBondContact O-N 2.72Å; D390-K394 VanDerWaalsContact OD1-CD 3.29Å; D390-K394 WeakPolarHBondContact OD1-CD 3.44Å; D390-K394 IonicContact OD1-NZ 3.69Å; D390-K394 PolarHBondContact OD1-NZ 3.43Å; D390-K394 IonicContact OD2-NZ 2.59Å
391G69.8Low70Confident35 Ų3559.6 Ų59.636%0.36132%0.322SS..THydrogen-bonded Turntrans50.2-149-174.800000113.1N388N388-G391 PolarHBondContact O-N 2.99Å
392H64.5Low69.5Low119 Ų11962.5 Ų62.555%0.55135%0.348SS*.THydrogen-bonded Turntrans-106.825.2175.6-58.7-70.4000112.6R256R256-H392 PolarHBondContact NH1-O 3.25Å
393F65Low69.3Low35 Ų3566.4 Ų66.415%0.15437%0.365CS..THydrogen-bonded Turntrans-114.4-6.5-166.3-52.4-70.3000113.7T230 H234 L253 R256 F258T230-F393 HydrophobicContact CG2-CB 3.95Å; T230-F393 HydrophobicContact CG2-CD1 3.37Å; T230-F393 HydrophobicContact CG2-CD2 4.44Å; T230-F393 HydrophobicContact CG2-CE1 3.92Å; T230-F393 HydrophobicContact CG2-CG 3.66Å; H234-F393 HydrophobicContact CB-CD2 4.06Å; H234-F393 HydrophobicContact CB-CE2 4.08Å; H234-F393 AromaticContact CG-CE2 3.94Å; H234-F393 AromaticContact ND1-CE2 3.68Å; L253-F393 HydrophobicContact CD2-CE1 4.46Å; R256-F393 HydrophobicContact CB-CE1 3.59Å; R256-F393 HydrophobicContact CB-CZ 3.93Å; R256-F393 HydrophobicContact CG-CE1 3.93Å; F258-F393 HydrophobicContact CD2-CE1 4.27Å; F258-F393 HydrophobicContact CD2-CZ 4.23Å; F258-F393 HydrophobicContact CE2-CD1 4.25Å; F258-F393 AromaticContact CE2-CE1 3.52Å; F258-F393 HydrophobicContact CE2-CE1 3.52Å; F258-F393 HydrophobicContact CE2-CE2 4.04Å; F258-F393 AromaticContact CE2-CZ 3.42Å; F258-F393 HydrophobicContact CE2-CZ 3.42Å; F258-F393 VanDerWaalsContact CE2-CZ 3.42Å; F258-F393 HydrophobicContact CZ-CE1 4.47Å; F258-F393 HydrophobicContact CZ-CE2 4.3Å; F258-F393 HydrophobicContact CZ-CZ 4.12Å
394K64.9Low69.8Low112 Ų11270.1 Ų70.149%0.48739%0.385SS..SBendtrans-88.2138174.6-160.6174.2-1721750109.4D390D390-K394 VanDerWaalsContact OD1-CD 3.29Å; D390-K394 WeakPolarHBondContact OD1-CD 3.44Å; D390-K394 IonicContact OD1-NZ 3.69Å; D390-K394 PolarHBondContact OD1-NZ 3.43Å; D390-K394 IonicContact OD2-NZ 2.59Å
395R64.3Low70.3Confident52 Ų5270.8 Ų70.820%0.19639%0.389CS..PPolyproline II helixtrans-66.2129.2173.2-71-174.8-169.4146.20.5109.8A302 R306 H311 L312 G313 G397A302-R395 VanDerWaalsContact O-CZ 3.29Å; A302-R395 PolarHBondContact O-NH1 3.37Å; A302-R395 PolarHBondContact O-NH2 2.6Å; R306-R395 VanDerWaalsContact CA-NH2 3.34Å; R306-R395 VanDerWaalsContact CB-NH2 3.32Å; H311-R395 PolarHBondContact O-NE 3.22Å; H311-R395 PolarHBondContact O-NH2 3.16Å; L312-R395 HydrophobicContact CD2-CG 4.48Å; G313-R395 WeakPolarHBondContact O-CD 3.15Å; G313-R395 PolarHBondContact O-NE 3.22Å; R395-G397 PolarHBondContact O-N 3.42Å
396P52.7Low70.7Confident102 Ų10271.4 Ų71.466%0.66239%0.392SS*.SBendtrans-69.9123.7176.426.5-30.5000109.9
397G52.4Low71.3Confident58 Ų5870.8 Ų70.860%0.59839%0.393SS*.SBendtrans81.4146.7177.500000114.6R395 Q399R395-G397 PolarHBondContact O-N 3.42Å; G397-Q399 VanDerWaalsContact C-N 3.26Å; G397-Q399 PolarHBondContact O-N 2.89Å
398A53.5Low72.3Confident90 Ų9074.3 Ų74.374%0.74442%0.416SS*.  trans-86.366.9168.900000109.3R400A398-R400 PolarHBondContact O-N 3.37Å
399Q56.8Low73.2Confident136 Ų13676.9 Ų76.964%0.63643%0.43SS*.  trans-7385.2165.3-82.1-175.2-6.900108.1H314 G397H314-Q399 HydrophobicContact CB-CB 4.47Å; H314-Q399 PolarHBondContact ND1-O 3.17Å; H314-Q399 VanDerWaalsContact ND1-O 3.09Å; G397-Q399 VanDerWaalsContact C-N 3.26Å; G397-Q399 PolarHBondContact O-N 2.89Å
400R62.8Low74Confident178 Ų17874.7 Ų74.767%0.67242%0.419SS*.  trans-88.5148.6163.4-66.4-176.9-178178.72.7107.7A398A398-R400 PolarHBondContact O-N 3.37Å
401P65.1Low75.1Confident16 Ų1675.6 Ų75.610%0.10442%0.418CS..  trans-51.7147.3167.720.5-29.6000109.9W320 F403 P405W320-P401 HydrophobicContact CD2-CG 4.14Å; W320-P401 HydrophobicContact CG-CB 4.2Å; W320-P401 HydrophobicContact CG-CG 4.34Å; P401-F403 HydrophobicContact CB-CD1 4Å; P401-F403 HydrophobicContact CB-CE1 3.89Å; P401-F403 HydrophobicContact CB-CG 4.48Å; P401-F403 HydrophobicContact CB-CZ 4.3Å; P401-F403 WeakPolarHBondContact CG-O 3.39Å; P401-F403 PolarHBondContact O-N 3.44Å; P401-F403 VanDerWaalsContact O-N 3.1Å; P401-P405 HydrophobicContact CG-CB 4.34Å; P401-P405 HydrophobicContact CG-CG 4.06Å
402S73.4Confident76.4Confident102 Ų10282.3 Ų82.371%0.71343%0.433SS*.SBendtrans-61.6-13.9177.449.40000112.9E317E317-S402 PolarHBondContact OE1-OG 2.91Å
403F80.8Confident78Confident82 Ų8280 Ų8036%0.3642%0.423SS..SBendtrans-121.6165178.164.9-84.9000111.7W320 P401 P405W320-F403 HydrophobicContact CB-CE1 4.27Å; W320-F403 HydrophobicContact CB-CZ 3.66Å; P401-F403 HydrophobicContact CB-CD1 4Å; P401-F403 HydrophobicContact CB-CE1 3.89Å; P401-F403 HydrophobicContact CB-CG 4.48Å; P401-F403 HydrophobicContact CB-CZ 4.3Å; P401-F403 WeakPolarHBondContact CG-O 3.39Å; P401-F403 PolarHBondContact O-N 3.44Å; P401-F403 VanDerWaalsContact O-N 3.1Å; F403-P405 HydrophobicContact CE2-CB 4.16Å; F403-P405 WeakPolarHBondContact O-CD 3.49Å
404D86.9Confident79.6Confident91 Ų9178.3 Ų78.349%0.48742%0.416SS..  trans-78.1113.1171-179.53.4000109.8F406 R411D404-F406 PolarHBondContact O-N 3.26Å; D404-F406 PolarHBondContact OD1-N 2.98Å; D404-F406 VanDerWaalsContact OD1-N 3.11Å; D404-R411 IonicContact OD1-CZ 2.83Å; D404-R411 IonicContact OD1-NH2 3.88Å; D404-R411 PolarHBondContact OD1-NH2 3.18Å; D404-R411 IonicContact OD2-CZ 3.02Å; D404-R411 VanDerWaalsContact OD2-CZ 3.3Å; D404-R411 IonicContact OD2-NE 3.26Å; D404-R411 PolarHBondContact OD2-NE 3.07Å; D404-R411 IonicContact OD2-NH2 3.19Å; D404-R411 PolarHBondContact OD2-NH2 2.88Å
405P90.4Very high81.2Confident14 Ų1474.8 Ų74.89%0.09140%0.402CS..  trans-75.9-9.9-174.333.7-36.5000112.3I301 W320 W325 P401 F403I301-P405 HydrophobicContact CD1-CG 4.41Å; W320-P405 HydrophobicContact CE3-CB 3.9Å; W320-P405 HydrophobicContact CE3-CG 4.35Å; W320-P405 HydrophobicContact CZ3-CB 4.25Å; W320-P405 HydrophobicContact CZ3-CG 4.28Å; W325-P405 HydrophobicContact CZ2-CB 4.07Å; W325-P405 HydrophobicContact CZ2-CG 4.06Å; W325-P405 PolarHBondContact NE1-O 3.08Å; P401-P405 HydrophobicContact CG-CB 4.34Å; P401-P405 HydrophobicContact CG-CG 4.06Å; F403-P405 HydrophobicContact CE2-CB 4.16Å; F403-P405 WeakPolarHBondContact O-CD 3.49Å
406F93.9Very high82.8Confident13 Ų1375.4 Ų75.46%0.05742%0.415CS..  trans-92.4116.6-176.9-63.9-81.5000112Y297 L300 I301 W325 V329 D404 M410 R411 I414Y297-F406 AromaticContact CD1-CD1 3.84Å; Y297-F406 HydrophobicContact CD1-CD1 3.84Å; Y297-F406 AromaticContact CD1-CD2 3.78Å; Y297-F406 HydrophobicContact CD1-CD2 3.78Å; Y297-F406 AromaticContact CD1-CE1 3.74Å; Y297-F406 HydrophobicContact CD1-CE1 3.74Å; Y297-F406 AromaticContact CD1-CE2 3.66Å; Y297-F406 HydrophobicContact CD1-CE2 3.66Å; Y297-F406 AromaticContact CD1-CG 3.85Å; Y297-F406 HydrophobicContact CD1-CG 3.85Å; Y297-F406 AromaticContact CD1-CZ 3.65Å; Y297-F406 HydrophobicContact CD1-CZ 3.65Å; Y297-F406 HydrophobicContact CE1-CD1 4.06Å; Y297-F406 HydrophobicContact CE1-CD2 4.39Å; Y297-F406 HydrophobicContact CE1-CE1 4.35Å; Y297-F406 HydrophobicContact CE1-CG 4.08Å; Y297-F406 HydrophobicContact CG-CE2 4.37Å; Y297-F406 HydrophobicContact CG-CZ 4.37Å; L300-F406 HydrophobicContact CB-CZ 4.37Å; L300-F406 HydrophobicContact CD1-CE1 4.09Å; I301-F406 HydrophobicContact CD1-CE2 3.64Å; I301-F406 HydrophobicContact CD1-CZ 4.2Å; I301-F406 HydrophobicContact CG1-CE2 3.9Å; I301-F406 HydrophobicContact CG1-CZ 3.96Å; W325-F406 AromaticContact CH2-CE1 3.75Å; W325-F406 HydrophobicContact CH2-CE1 3.75Å; W325-F406 HydrophobicContact CH2-CE2 4.47Å; W325-F406 AromaticContact CH2-CZ 3.67Å; W325-F406 HydrophobicContact CH2-CZ 3.67Å; W325-F406 AromaticContact CZ2-CD1 3.8Å; W325-F406 HydrophobicContact CZ2-CD1 3.8Å; W325-F406 HydrophobicContact CZ2-CD2 4.46Å; W325-F406 AromaticContact CZ2-CE1 3.36Å; W325-F406 HydrophobicContact CZ2-CE1 3.36Å; W325-F406 HydrophobicContact CZ2-CE2 4.1Å; W325-F406 HydrophobicContact CZ2-CG 4.34Å; W325-F406 AromaticContact CZ2-CZ 3.52Å; W325-F406 HydrophobicContact CZ2-CZ 3.52Å; V329-F406 HydrophobicContact CG2-CE1 4.27Å; D404-F406 PolarHBondContact O-N 3.26Å; D404-F406 PolarHBondContact OD1-N 2.98Å; D404-F406 VanDerWaalsContact OD1-N 3.11Å; F406-M410 HydrophobicContact CD1-CB 4.42Å; F406-M410 HydrophobicContact CD1-SD 4.48Å; F406-R411 HydrophobicContact CB-CG 3.92Å; F406-R411 PolarHBondContact O-NE 2.54Å; F406-I414 HydrophobicContact CD1-CD1 3.74Å; F406-I414 HydrophobicContact CE1-CD1 3.71Å
407T94.5Very high84.9Confident62 Ų6272.8 Ų72.838%0.3839%0.393SS..  trans-68.8159172.271.90000111.2D409 M410 R411T407-D409 PolarHBondContact O-N 3.25Å; T407-M410 HydrophobicContact CG2-CE 4.02Å; T407-M410 HydrophobicContact CG2-SD 4.3Å; T407-M410 WeakPolarHBondContact O-CB 3.34Å; T407-M410 PolarHBondContact O-N 3.11Å; T407-M410 VanDerWaalsContact O-N 3.14Å; T407-M410 WeakPolarHBondContact OG1-CG 3.27Å; T407-M410 PolarHBondContact OG1-N 3.25Å; T407-R411 WeakPolarHBondContact O-CG 3.33Å; T407-R411 PolarHBondContact O-N 2.82Å
408P95.5Very high87.1Confident98 Ų9870 Ų7064%0.63636%0.364SS*.Hα-helixtrans-54.1-34.8175.5-28.136.2000113.8R411 R412P408-R411 PolarHBondContact O-N 3.31Å; P408-R412 WeakPolarHBondContact O-CG 3.41Å; P408-R412 PolarHBondContact O-N 3.29Å
409D96.2Very high89.3Confident99 Ų9969.6 Ų69.653%0.52935%0.349SS..Hα-helixtrans-70.1-42.2178.9-66.1-12.4000112.1T407 R411 R412 M413T407-D409 PolarHBondContact O-N 3.25Å; D409-R411 VanDerWaalsContact C-N 3.29Å; D409-R411 PolarHBondContact O-N 2.8Å; D409-R412 PolarHBondContact O-N 3.23Å; D409-R412 IonicContact OD1-CZ 3.36Å; D409-R412 IonicContact OD1-NE 3.3Å; D409-R412 IonicContact OD1-NH2 3.81Å; D409-R412 PolarHBondContact OD1-NH2 3.43Å; D409-M413 PolarHBondContact O-N 2.88Å; D409-M413 VanDerWaalsContact O-N 3.09Å
410M97.1Very high91.2Very high13 Ų1365.8 Ų65.86%0.06434%0.335CS..Hα-helixtrans-60.3-42.9172.8-67.7173.6-16800110.9P326 V329 F406 T407 M413 I414P326-M410 HydrophobicContact CB-CE 3.46Å; P326-M410 VanDerWaalsContact CB-CE 3.46Å; P326-M410 HydrophobicContact CG-CE 3.7Å; V329-M410 HydrophobicContact CB-CG 4.46Å; V329-M410 HydrophobicContact CB-SD 4.16Å; V329-M410 HydrophobicContact CG1-CB 4.07Å; V329-M410 HydrophobicContact CG1-CG 3.84Å; V329-M410 HydrophobicContact CG1-SD 4.04Å; V329-M410 HydrophobicContact CG2-SD 4.11Å; F406-M410 HydrophobicContact CD1-CB 4.42Å; F406-M410 HydrophobicContact CD1-SD 4.48Å; T407-M410 HydrophobicContact CG2-CE 4.02Å; T407-M410 HydrophobicContact CG2-SD 4.3Å; T407-M410 WeakPolarHBondContact O-CB 3.34Å; T407-M410 PolarHBondContact O-N 3.11Å; T407-M410 VanDerWaalsContact O-N 3.14Å; T407-M410 WeakPolarHBondContact OG1-CG 3.27Å; T407-M410 PolarHBondContact OG1-N 3.25Å; M410-M413 PolarHBondContact O-N 2.79Å; M410-I414 HydrophobicContact CB-CD1 4.42Å; M410-I414 WeakPolarHBondContact O-CB 3.33Å; M410-I414 WeakPolarHBondContact O-CD1 3.13Å; M410-I414 WeakPolarHBondContact O-CG1 3.43Å; M410-I414 PolarHBondContact O-N 3.06Å
411R96.8Very high92.9Very high81 Ų8157.3 Ų57.331%0.30630%0.303SS..Hα-helixtrans-60.7-51.7179-69.6178.2170.5-72-2.1111.4Y297 D404 F406 T407 P408 D409 M413 I414 D415Y297-R411 HydrophobicContact CE1-CG 4.06Å; Y297-R411 WeakPolarHBondContact OH-CA 3.28Å; Y297-R411 PolarHBondContact OH-O 2.81Å; D404-R411 IonicContact OD1-CZ 2.83Å; D404-R411 IonicContact OD1-NH2 3.88Å; D404-R411 PolarHBondContact OD1-NH2 3.18Å; D404-R411 IonicContact OD2-CZ 3.02Å; D404-R411 VanDerWaalsContact OD2-CZ 3.3Å; D404-R411 IonicContact OD2-NE 3.26Å; D404-R411 PolarHBondContact OD2-NE 3.07Å; D404-R411 IonicContact OD2-NH2 3.19Å; D404-R411 PolarHBondContact OD2-NH2 2.88Å; F406-R411 HydrophobicContact CB-CG 3.92Å; F406-R411 PolarHBondContact O-NE 2.54Å; T407-R411 WeakPolarHBondContact O-CG 3.33Å; T407-R411 PolarHBondContact O-N 2.82Å; P408-R411 PolarHBondContact O-N 3.31Å; D409-R411 VanDerWaalsContact C-N 3.29Å; D409-R411 PolarHBondContact O-N 2.8Å; R411-M413 VanDerWaalsContact C-N 3.25Å; R411-M413 PolarHBondContact O-N 2.8Å; R411-I414 PolarHBondContact O-N 3.06Å; R411-I414 VanDerWaalsContact O-N 3.14Å; R411-D415 WeakPolarHBondContact O-CB 3.38Å; R411-D415 PolarHBondContact O-N 2.99Å
412R97Very high94.5Very high175 Ų17557.3 Ų57.366%0.6630%0.303SS*.Hα-helixtrans-54.2-41.9176.2-72.3-171.4-67.6161.5-4.5112.7P408 D409 S416P408-R412 WeakPolarHBondContact O-CG 3.41Å; P408-R412 PolarHBondContact O-N 3.29Å; D409-R412 PolarHBondContact O-N 3.23Å; D409-R412 IonicContact OD1-CZ 3.36Å; D409-R412 IonicContact OD1-NE 3.3Å; D409-R412 IonicContact OD1-NH2 3.81Å; D409-R412 PolarHBondContact OD1-NH2 3.43Å; R412-S416 WeakPolarHBondContact O-CB 3.41Å; R412-S416 PolarHBondContact O-N 3.15Å; R412-S416 VanDerWaalsContact O-N 3.15Å
413M97.8Very high95.7Very high70 Ų7058.5 Ų58.535%0.34530%0.297SS..Hα-helixtrans-65.5-51176.6-175-160.9-6300111.9D409 M410 R411 D415 S416 F417D409-M413 PolarHBondContact O-N 2.88Å; D409-M413 VanDerWaalsContact O-N 3.09Å; M410-M413 PolarHBondContact O-N 2.79Å; R411-M413 VanDerWaalsContact C-N 3.25Å; R411-M413 PolarHBondContact O-N 2.8Å; M413-D415 VanDerWaalsContact C-N 3.33Å; M413-D415 PolarHBondContact O-N 3.32Å; M413-S416 WeakPolarHBondContact O-CB 3.44Å; M413-S416 PolarHBondContact O-N 2.98Å; M413-F417 HydrophobicContact CG-CD2 4.25Å; M413-F417 HydrophobicContact CG-CE2 3.57Å; M413-F417 HydrophobicContact CG-CZ 4.12Å; M413-F417 WeakPolarHBondContact O-CD2 3.3Å; M413-F417 PolarHBondContact O-N 2.8Å; M413-F417 HydrophobicContact SD-CE2 3.95Å
414I98.2Very high96.5Very high1 Ų155.5 Ų55.51%0.00529%0.287CS..Hα-helixtrans-63.4-41.1-178.7-67.1162.6000110.8P296 Y297 L300 V329 A333 F406 M410 R411 S416 F417 I418P296-I414 HydrophobicContact CB-CG2 3.98Å; P296-I414 HydrophobicContact CG-CG2 3.78Å; Y297-I414 HydrophobicContact CD1-CD1 3.97Å; Y297-I414 HydrophobicContact CD1-CG2 4.31Å; Y297-I414 HydrophobicContact CD2-CG2 4.12Å; Y297-I414 HydrophobicContact CE1-CB 4.09Å; Y297-I414 HydrophobicContact CE1-CD1 3.62Å; Y297-I414 HydrophobicContact CE1-CG1 4.47Å; Y297-I414 HydrophobicContact CE1-CG2 3.89Å; Y297-I414 HydrophobicContact CE2-CB 4.49Å; Y297-I414 HydrophobicContact CE2-CG2 3.68Å; Y297-I414 HydrophobicContact CG-CG2 4.42Å; L300-I414 HydrophobicContact CD1-CD1 3.73Å; L300-I414 HydrophobicContact CD1-CG1 4.2Å; V329-I414 HydrophobicContact CG1-CD1 4.01Å; A333-I414 HydrophobicContact CB-CG1 3.78Å; F406-I414 HydrophobicContact CD1-CD1 3.74Å; F406-I414 HydrophobicContact CE1-CD1 3.71Å; M410-I414 HydrophobicContact CB-CD1 4.42Å; M410-I414 WeakPolarHBondContact O-CB 3.33Å; M410-I414 WeakPolarHBondContact O-CD1 3.13Å; M410-I414 WeakPolarHBondContact O-CG1 3.43Å; M410-I414 PolarHBondContact O-N 3.06Å; R411-I414 PolarHBondContact O-N 3.06Å; R411-I414 VanDerWaalsContact O-N 3.14Å; I414-S416 PolarHBondContact O-N 3.28Å; I414-F417 WeakPolarHBondContact O-CB 3.01Å; I414-F417 PolarHBondContact O-N 3.43Å; I414-F417 VanDerWaalsContact O-N 3.14Å; I414-I418 HydrophobicContact CG2-CD1 4.02Å; I414-I418 HydrophobicContact CG2-CG1 4.5Å; I414-I418 WeakPolarHBondContact O-CG1 3.13Å; I414-I418 PolarHBondContact O-N 2.74Å
415D98.1Very high97.1Very high37 Ų3751.2 Ų51.220%0.19826%0.264CS..Hα-helixtrans-63.6-40.5178.9-71-13.4000111.7Y297 R411 M413 F417 I418 L419 P439Y297-D415 VanDerWaalsContact OH-CG 3.28Å; Y297-D415 PolarHBondContact OH-OD1 3.32Å; R411-D415 WeakPolarHBondContact O-CB 3.38Å; R411-D415 PolarHBondContact O-N 2.99Å; M413-D415 VanDerWaalsContact C-N 3.33Å; M413-D415 PolarHBondContact O-N 3.32Å; D415-F417 VanDerWaalsContact C-N 3.3Å; D415-F417 PolarHBondContact O-N 2.86Å; D415-I418 WeakPolarHBondContact O-CB 3.24Å; D415-I418 PolarHBondContact O-N 2.61Å; D415-L419 WeakPolarHBondContact O-CG 3.48Å; D415-L419 PolarHBondContact O-N 2.92Å; D415-P439 HydrophobicContact CB-CB 3.99Å; D415-P439 HydrophobicContact CB-CG 3.42Å; D415-P439 VanDerWaalsContact CB-CG 3.42Å
416S98.2Very high97.4Very high66 Ų6655.3 Ų55.346%0.46228%0.282SS..Hα-helixtrans-59.4-41.3172.3-179.20000112.1R412 M413 I414 L419 T420R412-S416 WeakPolarHBondContact O-CB 3.41Å; R412-S416 PolarHBondContact O-N 3.15Å; R412-S416 VanDerWaalsContact O-N 3.15Å; M413-S416 WeakPolarHBondContact O-CB 3.44Å; M413-S416 PolarHBondContact O-N 2.98Å; I414-S416 PolarHBondContact O-N 3.28Å; S416-L419 PolarHBondContact O-N 3.33Å; S416-T420 PolarHBondContact O-N 3.2Å; S416-T420 PolarHBondContact O-OG1 2.67Å
417F98.6Very high97.5Very high47 Ų4759.1 Ų59.121%0.20631%0.31CS..Hα-helixtrans-66.6-40.1174.8-68.3-39.8000113.1A333 P334 W336 A337 M413 I414 D415 L419 T420 V421A333-F417 HydrophobicContact CB-CD2 4.13Å; A333-F417 HydrophobicContact CB-CE2 4.13Å; P334-F417 HydrophobicContact CB-CE1 4.49Å; P334-F417 HydrophobicContact CB-CE2 4.02Å; P334-F417 HydrophobicContact CB-CZ 3.75Å; P334-F417 HydrophobicContact CG-CE2 3.73Å; P334-F417 HydrophobicContact CG-CZ 3.72Å; W336-F417 HydrophobicContact CE3-CB 4.4Å; W336-F417 HydrophobicContact CZ3-CB 4.3Å; A337-F417 HydrophobicContact CB-CB 3.76Å; A337-F417 HydrophobicContact CB-CD1 3.75Å; A337-F417 HydrophobicContact CB-CG 3.78Å; M413-F417 HydrophobicContact CG-CD2 4.25Å; M413-F417 HydrophobicContact CG-CE2 3.57Å; M413-F417 HydrophobicContact CG-CZ 4.12Å; M413-F417 WeakPolarHBondContact O-CD2 3.3Å; M413-F417 PolarHBondContact O-N 2.8Å; M413-F417 HydrophobicContact SD-CE2 3.95Å; I414-F417 WeakPolarHBondContact O-CB 3.01Å; I414-F417 PolarHBondContact O-N 3.43Å; I414-F417 VanDerWaalsContact O-N 3.14Å; D415-F417 VanDerWaalsContact C-N 3.3Å; D415-F417 PolarHBondContact O-N 2.86Å; F417-L419 VanDerWaalsContact C-N 3.35Å; F417-L419 PolarHBondContact O-N 3.22Å; F417-T420 PolarHBondContact O-N 3.16Å; F417-V421 WeakPolarHBondContact O-CG2 3.39Å; F417-V421 PolarHBondContact O-N 3.19Å
418I98.4Very high97.5Very high0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-56.3-51.4174.7-71.8160.9000110P296 Y297 W336 I414 D415 T420 V421 D422 L433 Y437 L438P296-I418 HydrophobicContact CG-CD1 3.64Å; P296-I418 HydrophobicContact CG-CG1 3.47Å; P296-I418 VanDerWaalsContact CG-CG1 3.47Å; Y297-I418 HydrophobicContact CD2-CD1 4.39Å; Y297-I418 HydrophobicContact CE2-CD1 3.84Å; W336-I418 HydrophobicContact CH2-CG1 4.26Å; W336-I418 HydrophobicContact CZ3-CG1 4.41Å; I414-I418 HydrophobicContact CG2-CD1 4.02Å; I414-I418 HydrophobicContact CG2-CG1 4.5Å; I414-I418 WeakPolarHBondContact O-CG1 3.13Å; I414-I418 PolarHBondContact O-N 2.74Å; D415-I418 WeakPolarHBondContact O-CB 3.24Å; D415-I418 PolarHBondContact O-N 2.61Å; I418-T420 VanDerWaalsContact C-N 3.3Å; I418-T420 PolarHBondContact O-N 2.71Å; I418-V421 PolarHBondContact O-N 2.59Å; I418-D422 WeakPolarHBondContact O-CB 3.27Å; I418-D422 PolarHBondContact O-N 2.83Å; I418-L433 HydrophobicContact CG2-CD1 3.81Å; I418-L433 WeakPolarHBondContact O-CD1 3.4Å; I418-Y437 WeakPolarHBondContact CD1-O 3.42Å; I418-L438 HydrophobicContact CG2-CD2 3.93Å
419L98.3Very high97.4Very high80 Ų8064.6 Ų64.642%0.41932%0.323SS..Hα-helixtrans-61.4-39.9-179.7-66.4173000111.9D415 S416 F417 D422 Q423 P439D415-L419 WeakPolarHBondContact O-CG 3.48Å; D415-L419 PolarHBondContact O-N 2.92Å; S416-L419 PolarHBondContact O-N 3.33Å; F417-L419 VanDerWaalsContact C-N 3.35Å; F417-L419 PolarHBondContact O-N 3.22Å; L419-D422 PolarHBondContact O-N 2.84Å; L419-Q423 WeakPolarHBondContact O-CB 3.35Å; L419-Q423 VanDerWaalsContact O-CG 3.27Å; L419-Q423 WeakPolarHBondContact O-CG 3.25Å; L419-Q423 PolarHBondContact O-N 2.79Å; L419-P439 HydrophobicContact CG-CG 4.42Å
420T98.4Very high97.4Very high57 Ų5762.7 Ų62.735%0.3531%0.31SS..Hα-helixtrans-63.2-45.6177.8-57.20000111.7L341 S416 F417 I418 A424L341-T420 HydrophobicContact CD1-CG2 4Å; L341-T420 HydrophobicContact CD2-CG2 4.5Å; S416-T420 PolarHBondContact O-N 3.2Å; S416-T420 PolarHBondContact O-OG1 2.67Å; F417-T420 PolarHBondContact O-N 3.16Å; I418-T420 VanDerWaalsContact C-N 3.3Å; I418-T420 PolarHBondContact O-N 2.71Å; T420-A424 WeakPolarHBondContact O-CB 3.39Å; T420-A424 PolarHBondContact O-N 3.01Å; T420-A424 VanDerWaalsContact O-N 3.08Å
421V98.5Very high97.1Very high0 Ų065.8 Ų65.80%033%0.333CS..Hα-helixtrans-68.1-40.6178.6172.90000111.2W336 A337 A340 L341 F417 I418 A424 L425 L433W336-V421 HydrophobicContact CE3-CG2 4.34Å; W336-V421 HydrophobicContact CH2-CB 4.04Å; W336-V421 HydrophobicContact CH2-CG1 4.21Å; W336-V421 HydrophobicContact CH2-CG2 4.02Å; W336-V421 HydrophobicContact CZ3-CB 4.1Å; W336-V421 HydrophobicContact CZ3-CG2 3.63Å; A337-V421 HydrophobicContact CB-CG2 4.13Å; A340-V421 HydrophobicContact CB-CG1 3.97Å; A340-V421 HydrophobicContact CB-CG2 4.21Å; L341-V421 HydrophobicContact CD2-CG2 4.37Å; L341-V421 HydrophobicContact CG-CG2 4.27Å; F417-V421 WeakPolarHBondContact O-CG2 3.39Å; F417-V421 PolarHBondContact O-N 3.19Å; I418-V421 PolarHBondContact O-N 2.59Å; V421-A424 PolarHBondContact O-N 3.49Å; V421-L425 HydrophobicContact CG1-CD1 4.17Å; V421-L425 WeakPolarHBondContact O-CG 3.13Å; V421-L425 PolarHBondContact O-N 3.39Å; V421-L433 HydrophobicContact CB-CD1 4.26Å; V421-L433 HydrophobicContact CG1-CD1 4.18Å; V421-L433 HydrophobicContact CG1-CD2 4.23Å; V421-L433 HydrophobicContact CG1-CG 4.48Å
422D98.3Very high96.9Very high16 Ų1662.9 Ų62.99%0.08633%0.328CS..Hα-helixtrans-59.1-48.3176.4-179.154.3000112I418 L419 A424 L425 Q426 G432 L433 L438I418-D422 WeakPolarHBondContact O-CB 3.27Å; I418-D422 PolarHBondContact O-N 2.83Å; L419-D422 PolarHBondContact O-N 2.84Å; D422-A424 VanDerWaalsContact C-N 3.32Å; D422-A424 PolarHBondContact O-N 3.18Å; D422-L425 WeakPolarHBondContact O-CB 3.47Å; D422-L425 PolarHBondContact O-N 3.01Å; D422-Q426 WeakPolarHBondContact O-CG 3.41Å; D422-Q426 PolarHBondContact O-N 3.25Å; D422-Q426 PolarHBondContact OD1-NE2 2.86Å; D422-Q426 VanDerWaalsContact OD1-NE2 3.08Å; D422-Q426 PolarHBondContact OD2-NE2 3.4Å; D422-G432 WeakPolarHBondContact OD1-CA 3.25Å; D422-L433 HydrophobicContact CB-CB 4.33Å; D422-L433 HydrophobicContact CB-CD1 4.04Å; D422-L433 HydrophobicContact CB-CG 4.04Å; D422-L433 PolarHBondContact OD1-N 3.38Å; D422-L438 HydrophobicContact CB-CD2 4.24Å
423Q98Very high96.9Very high127 Ų12754.9 Ų54.959%0.59330%0.299SS*.Hα-helixtrans-60.9-40.1175.2-72.1173.74.500112.2L419 L425 Q426 S427L419-Q423 WeakPolarHBondContact O-CB 3.35Å; L419-Q423 VanDerWaalsContact O-CG 3.27Å; L419-Q423 WeakPolarHBondContact O-CG 3.25Å; L419-Q423 PolarHBondContact O-N 2.79Å; Q423-L425 VanDerWaalsContact C-N 3.34Å; Q423-L425 PolarHBondContact O-N 3.29Å; Q423-Q426 PolarHBondContact O-N 2.88Å; Q423-S427 WeakPolarHBondContact O-CB 3.23Å; Q423-S427 PolarHBondContact O-N 3.48Å; Q423-S427 PolarHBondContact O-OG 2.75Å
424A98.2Very high96.8Very high19 Ų1952.7 Ų52.716%0.15729%0.289CS..Hα-helixtrans-65.3-36.4177.500000112.5L341 L344 T420 V421 D422 S427L341-A424 HydrophobicContact CD2-CB 3.3Å; L344-A424 HydrophobicContact CD1-CB 4Å; T420-A424 WeakPolarHBondContact O-CB 3.39Å; T420-A424 PolarHBondContact O-N 3.01Å; T420-A424 VanDerWaalsContact O-N 3.08Å; V421-A424 PolarHBondContact O-N 3.49Å; D422-A424 VanDerWaalsContact C-N 3.32Å; D422-A424 PolarHBondContact O-N 3.18Å; A424-S427 PolarHBondContact O-OG 3.33Å
425L98.1Very high96.5Very high0 Ų060 Ų600%032%0.324CS..Hα-helixtrans-65.3-51.2173.9-75.8165.5000111.1I293 L344 V352 V421 D422 Q423 S427 R428 N429 F430 L433I293-L425 HydrophobicContact CD1-CD1 4.19Å; I293-L425 HydrophobicContact CD1-CD2 4.36Å; L344-L425 HydrophobicContact CD1-CD2 3.93Å; L344-L425 HydrophobicContact CD1-CG 4.03Å; L344-L425 HydrophobicContact CD2-CD2 3.74Å; L344-L425 HydrophobicContact CG-CD2 4.42Å; V352-L425 HydrophobicContact CG1-CD2 3.99Å; V352-L425 HydrophobicContact CG2-CD2 3.93Å; V421-L425 HydrophobicContact CG1-CD1 4.17Å; V421-L425 WeakPolarHBondContact O-CG 3.13Å; V421-L425 PolarHBondContact O-N 3.39Å; D422-L425 WeakPolarHBondContact O-CB 3.47Å; D422-L425 PolarHBondContact O-N 3.01Å; Q423-L425 VanDerWaalsContact C-N 3.34Å; Q423-L425 PolarHBondContact O-N 3.29Å; L425-S427 PolarHBondContact O-N 3.4Å; L425-R428 CarbonylContact O-C 3.5Å; L425-R428 PolarHBondContact O-N 3.44Å; L425-R428 VanDerWaalsContact O-N 3.07Å; L425-N429 PolarHBondContact O-N 2.72Å; L425-F430 HydrophobicContact CB-CB 4.21Å; L425-F430 HydrophobicContact CD2-CB 3.9Å; L425-F430 HydrophobicContact CD2-CD2 4.33Å; L425-F430 HydrophobicContact CD2-CG 4.25Å; L425-F430 PolarHBondContact O-N 2.9Å; L425-L433 HydrophobicContact CD1-CD2 3.53Å; L425-L433 HydrophobicContact CD1-CG 3.9Å
426Q96.9Very high96.2Very high101 Ų10163.3 Ų63.347%0.47234%0.338SS..Hα-helixtrans-62.3-41.2-178.5-67.8175.923.200112.1D422 Q423 R428 N429D422-Q426 WeakPolarHBondContact O-CG 3.41Å; D422-Q426 PolarHBondContact O-N 3.25Å; D422-Q426 PolarHBondContact OD1-NE2 2.86Å; D422-Q426 VanDerWaalsContact OD1-NE2 3.08Å; D422-Q426 PolarHBondContact OD2-NE2 3.4Å; Q423-Q426 PolarHBondContact O-N 2.88Å; Q426-R428 PolarHBondContact O-N 3.05Å; Q426-R428 VanDerWaalsContact O-N 3.11Å; Q426-N429 PolarHBondContact O-N 2.77Å
427S96.5Very high95.8Very high93 Ų9360.4 Ų60.465%0.6532%0.317SS*.Hα-helixtrans-63.6-17177670000114Q423 A424 L425Q423-S427 WeakPolarHBondContact O-CB 3.23Å; Q423-S427 PolarHBondContact O-N 3.48Å; Q423-S427 PolarHBondContact O-OG 2.75Å; A424-S427 PolarHBondContact O-OG 3.33Å; L425-S427 PolarHBondContact O-N 3.4Å
428R94.3Very high95.4Very high116 Ų11659.9 Ų59.944%0.43832%0.316SS..THydrogen-bonded Turntrans-10516.8175.5-69.6-173.6173.7-112.8-5.1113.1L344 L425 Q426 F430L344-R428 PolarHBondContact O-NE 3.41Å; L344-R428 PolarHBondContact O-NH1 3.46Å; L425-R428 CarbonylContact O-C 3.5Å; L425-R428 PolarHBondContact O-N 3.44Å; L425-R428 VanDerWaalsContact O-N 3.07Å; Q426-R428 PolarHBondContact O-N 3.05Å; Q426-R428 VanDerWaalsContact O-N 3.11Å; R428-F430 HydrophobicContact CB-CD2 3.74Å; R428-F430 HydrophobicContact CB-CE2 3.91Å; R428-F430 PolarHBondContact O-N 3.2Å
429N94.2Very high94.7Very high158 Ų15862 Ų6285%0.84533%0.33SS*.THydrogen-bonded Turntrans59.922.3-178.9-59.1-34.9000114.6L425 Q426L425-N429 PolarHBondContact O-N 2.72Å; Q426-N429 PolarHBondContact O-N 2.77Å
430F95.1Very high93.3Very high60 Ų6073.2 Ų73.226%0.26337%0.367SS..SBendtrans-82.2161.5165.4-67.2-75.3000110.1L344 L350 V352 L425 R428 G432L344-F430 HydrophobicContact CD2-CD2 4.02Å; L344-F430 HydrophobicContact CD2-CE2 3.99Å; L350-F430 HydrophobicContact CB-CZ 3.97Å; V352-F430 HydrophobicContact CB-CD1 4.07Å; V352-F430 HydrophobicContact CB-CE1 4.48Å; V352-F430 HydrophobicContact CG2-CD1 3.55Å; V352-F430 HydrophobicContact CG2-CD2 4.26Å; V352-F430 HydrophobicContact CG2-CE1 3.73Å; V352-F430 HydrophobicContact CG2-CE2 4.41Å; V352-F430 HydrophobicContact CG2-CG 3.85Å; V352-F430 HydrophobicContact CG2-CZ 4.17Å; L425-F430 HydrophobicContact CB-CB 4.21Å; L425-F430 HydrophobicContact CD2-CB 3.9Å; L425-F430 HydrophobicContact CD2-CD2 4.33Å; L425-F430 HydrophobicContact CD2-CG 4.25Å; L425-F430 PolarHBondContact O-N 2.9Å; R428-F430 HydrophobicContact CB-CD2 3.74Å; R428-F430 HydrophobicContact CB-CE2 3.91Å; R428-F430 PolarHBondContact O-N 3.2Å; F430-G432 PolarHBondContact O-N 3.36Å
431S90.4Very high93Very high77 Ų7774 Ų7454%0.53837%0.368SS..  trans-56.8136.2161.253.90000108.9
432G94.6Very high92.8Very high20 Ų2077.9 Ų77.921%0.20639%0.387CS..  trans-58.1176.4167.500000112D422 F430D422-G432 WeakPolarHBondContact OD1-CA 3.25Å; F430-G432 PolarHBondContact O-N 3.36Å
433L96.6Very high92.5Very high8 Ų881.3 Ų81.34%0.04240%0.404CS..  trans-62.3145.7173.1-65.5178.5000110.2I293 W336 I418 V421 D422 L425 Y437 L438I293-L433 HydrophobicContact CG2-CD2 3.89Å; W336-L433 HydrophobicContact CH2-CD1 4.06Å; I418-L433 HydrophobicContact CG2-CD1 3.81Å; I418-L433 WeakPolarHBondContact O-CD1 3.4Å; V421-L433 HydrophobicContact CB-CD1 4.26Å; V421-L433 HydrophobicContact CG1-CD1 4.18Å; V421-L433 HydrophobicContact CG1-CD2 4.23Å; V421-L433 HydrophobicContact CG1-CG 4.48Å; D422-L433 HydrophobicContact CB-CB 4.33Å; D422-L433 HydrophobicContact CB-CD1 4.04Å; D422-L433 HydrophobicContact CB-CG 4.04Å; D422-L433 PolarHBondContact OD1-N 3.38Å; L425-L433 HydrophobicContact CD1-CD2 3.53Å; L425-L433 HydrophobicContact CD1-CG 3.9Å; L433-Y437 HydrophobicContact CB-CD2 4.07Å; L433-Y437 HydrophobicContact CD1-CD2 4.42Å; L433-Y437 HydrophobicContact CD2-CD2 4.05Å; L433-Y437 HydrophobicContact CD2-CE2 4.31Å; L433-Y437 HydrophobicContact CG-CD2 4.41Å; L433-L438 HydrophobicContact CB-CD2 4.43Å
434P94.6Very high92.1Very high23 Ų2378.6 Ų78.615%0.14939%0.393CS..  trans-51.5143.6174.4-2835.2000111.9H354 E436 Y437H354-P434 HydrophobicContact CB-CG 3.9Å; P434-E436 HydrophobicContact CB-CG 3.94Å; P434-E436 PolarHBondContact O-N 3.44Å; P434-Y437 HydrophobicContact CB-CD1 3.97Å; P434-Y437 HydrophobicContact CB-CE1 3.9Å; P434-Y437 HydrophobicContact CB-CG 4.42Å; P434-Y437 HydrophobicContact CG-CD1 4.24Å; P434-Y437 HydrophobicContact CG-CE1 3.8Å; P434-Y437 HydrophobicContact CG-CE2 4.14Å; P434-Y437 WeakPolarHBondContact O-CB 3.35Å; P434-Y437 PolarHBondContact O-N 3.01Å
435Q92.1Very high91.7Very high154 Ų15482.4 Ų82.472%0.7241%0.407SS*.G310 helixtrans-54.6-31.9-176.8-168.263.530.900113.1Y437 L438Q435-Y437 PolarHBondContact O-N 3.18Å; Q435-L438 PolarHBondContact O-N 3.27Å
436E91.4Very high91.3Very high108 Ų10887.9 Ų87.951%0.50543%0.434SS..G310 helixtrans-69.9-10.7176.549.7159.3-118.500114.7E356 P434E356-E436 WeakPolarHBondContact CB-OE1 3.21Å; E356-E436 WeakPolarHBondContact CG-OE1 3.35Å; P434-E436 HydrophobicContact CB-CG 3.94Å; P434-E436 PolarHBondContact O-N 3.44Å
437Y90Very high90.9Very high4 Ų486.9 Ų86.92%0.01643%0.432CS..G310 helixtrans-88.7-28.6173.1-64.719.1000111.1I293 N295 E356 I418 L433 P434 Q435I293-Y437 HydrophobicContact CG2-CE2 4.38Å; I293-Y437 PolarHBondContact O-OH 3.11Å; N295-Y437 HydrophobicContact CB-CD1 3.78Å; N295-Y437 HydrophobicContact CB-CD2 4.37Å; N295-Y437 HydrophobicContact CB-CE1 3.84Å; N295-Y437 HydrophobicContact CB-CE2 4.4Å; N295-Y437 HydrophobicContact CB-CG 4.12Å; E356-Y437 HydrophobicContact CB-CE1 4.1Å; E356-Y437 HydrophobicContact CG-CE1 4.16Å; E356-Y437 WeakPolarHBondContact OE2-CE1 3.3Å; E356-Y437 VanDerWaalsContact OE2-CZ 3.27Å; E356-Y437 PolarHBondContact OE2-OH 3.19Å; I418-Y437 WeakPolarHBondContact CD1-O 3.42Å; L433-Y437 HydrophobicContact CB-CD2 4.07Å; L433-Y437 HydrophobicContact CD1-CD2 4.42Å; L433-Y437 HydrophobicContact CD2-CD2 4.05Å; L433-Y437 HydrophobicContact CD2-CE2 4.31Å; L433-Y437 HydrophobicContact CG-CD2 4.41Å; P434-Y437 HydrophobicContact CB-CD1 3.97Å; P434-Y437 HydrophobicContact CB-CE1 3.9Å; P434-Y437 HydrophobicContact CB-CG 4.42Å; P434-Y437 HydrophobicContact CG-CD1 4.24Å; P434-Y437 HydrophobicContact CG-CE1 3.8Å; P434-Y437 HydrophobicContact CG-CE2 4.14Å; P434-Y437 WeakPolarHBondContact O-CB 3.35Å; P434-Y437 PolarHBondContact O-N 3.01Å; Q435-Y437 PolarHBondContact O-N 3.18Å
438L89.9Confident90.5Very high36 Ų3686.5 Ų86.519%0.18842%0.415CS..SBendtrans-68.2140.8-173.6-61.1-179.9000110.6I418 D422 L433 Q435I418-L438 HydrophobicContact CG2-CD2 3.93Å; D422-L438 HydrophobicContact CB-CD2 4.24Å; L433-L438 HydrophobicContact CB-CD2 4.43Å; Q435-L438 PolarHBondContact O-N 3.27Å
439P84.3Confident90.2Very high46 Ų4684 Ų8430%0.29941%0.413SS..  trans-55.9140.8175.2-20.532.4000110.2D415 L419D415-P439 HydrophobicContact CB-CB 3.99Å; D415-P439 HydrophobicContact CB-CG 3.42Å; D415-P439 VanDerWaalsContact CB-CG 3.42Å; L419-P439 HydrophobicContact CG-CG 4.42Å
440R69.1Low89.8Confident314 Ų31477.3 Ų77.3100%1.18537%0.374SS*.  trans-92.30177.2-73.1-171.9-179.5-172.2-0.7112.1

Retrieved 440 of 440 residues in 313.9 ms (Link to these results)

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