A0A087XG18_POEFO Loading...

glycerophosphocholine cholinephosphodiesterase

Choline-specific glycerophosphodiesterase that hydrolyzes glycerophosphocholine (GPC) and lysophosphatidylcholine (LPC) and contributes to supplying choline to the cells. Has a preference for LPC with short (12:0 and 14:0) or polyunsaturated (18:2 and 20:4) fatty acids. In vitro, hydrolyzes only choline-containing lysophospholipids, such as sphingosylphosphorylcholine (SPC), platelet-activating factor (PAF) and lysoPAF, but not other lysophospholipids.

AlphaFold DB , UniProt , Accession A0A087XG18, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.8Very low58.5Low94 Ų9466.5 Ų66.546%0.46332%0.319SS..  0116.90179.6-176.6-70.600105.7L3 F116 S263 V266 M270M1-L3 HydrophobicContact SD-CG 4.46Å; M1-F116 HydrophobicContact CE-CE2 4.4Å; M1-F116 HydrophobicContact SD-CE2 4.28Å; M1-F116 HydrophobicContact SD-CZ 4.09Å; M1-S263 WeakPolarHBondContact CE-O 3.39Å; M1-V266 HydrophobicContact CE-CB 3.58Å; M1-V266 HydrophobicContact CE-CG1 4Å; M1-V266 HydrophobicContact CE-CG2 4.4Å; M1-V266 HydrophobicContact SD-CB 4.49Å; M1-V266 HydrophobicContact SD-CG1 4.35Å; M1-M270 HydrophobicContact SD-CE 3.95Å; M1-M270 HydrophobicContact SD-SD 3.97Å
2H48.7Very low61Low70 Ų7061.8 Ų61.832%0.32430%0.298SS..  trans-84.1114.5173.5-170.348.8000107.4Q4 I24H2-Q4 VanDerWaalsContact C-N 3.3Å; H2-Q4 VanDerWaalsContact NE2-CG 3.29Å; H2-Q4 WeakPolarHBondContact NE2-CG 3.41Å; H2-Q4 PolarHBondContact NE2-OE1 3.4Å; H2-Q4 PolarHBondContact O-N 3.3Å; H2-I24 WeakPolarHBondContact CE1-CD1 3.28Å; H2-I24 WeakPolarHBondContact NE2-CB 3.07Å; H2-I24 VanDerWaalsContact NE2-CD1 3.34Å; H2-I24 WeakPolarHBondContact NE2-CD1 3.35Å
3L53.8Low63.4Low2 Ų259 Ų591%0.0128%0.283CS..  trans-90.972.4179.8-100.2163.6000107.7M1 F17 M62 A64 M270M1-L3 HydrophobicContact SD-CG 4.46Å; L3-F17 HydrophobicContact CB-CE1 4.22Å; L3-F17 HydrophobicContact CB-CZ 4.5Å; L3-F17 HydrophobicContact CD1-CD2 4.32Å; L3-F17 HydrophobicContact CD1-CE1 4.06Å; L3-F17 HydrophobicContact CD1-CE2 3.63Å; L3-F17 HydrophobicContact CD1-CZ 3.51Å; L3-F17 HydrophobicContact CG-CZ 4.4Å; L3-M62 HydrophobicContact CD1-CE 4.1Å; L3-M62 HydrophobicContact CD2-CE 3.29Å; L3-M62 HydrophobicContact CD2-SD 3.92Å; L3-M62 HydrophobicContact CG-CE 4.22Å; L3-A64 HydrophobicContact CD1-CB 4.17Å; L3-M270 HydrophobicContact CD1-CE 3.95Å; L3-M270 HydrophobicContact CD2-CE 3.78Å; L3-M270 HydrophobicContact CD2-CG 4.47Å; L3-M270 HydrophobicContact CD2-SD 3.32Å; L3-M270 WeakPolarHBondContact CD2-SD 3.46Å; L3-M270 HydrophobicContact CG-CE 4.25Å; L3-M270 HydrophobicContact CG-SD 4.16Å
4Q56.1Low65.4Low7 Ų755 Ų553%0.03326%0.264CS..  trans-120.5113.2161.3-86-179.5-15.400106.9H2 T6 I24 V27H2-Q4 VanDerWaalsContact C-N 3.3Å; H2-Q4 VanDerWaalsContact NE2-CG 3.29Å; H2-Q4 WeakPolarHBondContact NE2-CG 3.41Å; H2-Q4 PolarHBondContact NE2-OE1 3.4Å; H2-Q4 PolarHBondContact O-N 3.3Å; Q4-T6 VanDerWaalsContact C-N 3.33Å; Q4-T6 HydrophobicContact CB-CG2 3.97Å; Q4-T6 PolarHBondContact O-N 3.37Å; Q4-I24 PolarHBondContact OE1-O 2.95Å; Q4-V27 PolarHBondContact NE2-O 2.72Å
5V56Low67.2Low4 Ų452.2 Ų52.22%0.02425%0.25CC..  trans-88.885.5175.9-175.60000104.9D7 D12 M62 L274 V276V5-D7 VanDerWaalsContact C-N 3.29Å; V5-D7 PolarHBondContact O-N 3.38Å; V5-D12 PolarHBondContact N-OD2 3.03Å; V5-M62 HydrophobicContact CG2-SD 4.08Å; V5-L274 HydrophobicContact CB-CD1 4.16Å; V5-L274 HydrophobicContact CG1-CD1 3.84Å; V5-L274 HydrophobicContact CG2-CD1 3.69Å; V5-V276 HydrophobicContact CG1-CB 4.04Å; V5-V276 HydrophobicContact CG1-CG1 3.97Å; V5-V276 HydrophobicContact CG1-CG2 3.15Å
6T48.6Very low68.5Low48 Ų4849.1 Ų49.129%0.29424%0.235SC..  trans-76.161.3-159.656.30000114.9Q4 L279Q4-T6 VanDerWaalsContact C-N 3.33Å; Q4-T6 HydrophobicContact CB-CG2 3.97Å; Q4-T6 PolarHBondContact O-N 3.37Å; T6-L279 HydrophobicContact CG2-CD1 3.8Å; T6-L279 WeakPolarHBondContact OG1-CD1 3.15Å; T6-L279 WeakPolarHBondContact OG1-CG 3.05Å
7D56.7Low69.4Low56 Ų5648.1 Ų48.130%0.29923%0.229SC..  trans-118.5130.9153.7-164.2-18000107.3V5 R9 H10V5-D7 VanDerWaalsContact C-N 3.29Å; V5-D7 PolarHBondContact O-N 3.38Å; D7-R9 PolarHBondContact O-N 2.8Å; D7-R9 IonicContact OD1-NE 3.2Å; D7-R9 PolarHBondContact OD1-NE 2.91Å; D7-R9 IonicContact OD1-NH2 3.92Å; D7-R9 IonicContact OD2-CZ 3.19Å; D7-R9 IonicContact OD2-NE 2.91Å; D7-R9 PolarHBondContact OD2-NE 3.2Å; D7-R9 IonicContact OD2-NH2 2.79Å; D7-R9 PolarHBondContact OD2-NH2 3.32Å; D7-H10 PolarHBondContact O-N 2.79Å
8N56.9Low70Confident146 Ų14651.2 Ų51.278%0.78125%0.247SC*.THydrogen-bonded Turntrans-63.116.2176.5-77-9.9000113.1
9R66.2Low70.5Confident194 Ų19449.2 Ų49.273%0.73224%0.241SC*.THydrogen-bonded Turntrans-108-6.8-179.1-72.8-172.6-87.6-178.7-2.8113.2D7D7-R9 PolarHBondContact O-N 2.8Å; D7-R9 IonicContact OD1-NE 3.2Å; D7-R9 PolarHBondContact OD1-NE 2.91Å; D7-R9 IonicContact OD1-NH2 3.92Å; D7-R9 IonicContact OD2-CZ 3.19Å; D7-R9 IonicContact OD2-NE 2.91Å; D7-R9 PolarHBondContact OD2-NE 3.2Å; D7-R9 IonicContact OD2-NH2 2.79Å; D7-R9 PolarHBondContact OD2-NH2 3.32Å
10H76.8Confident71.1Confident50 Ų5046.9 Ų46.923%0.23123%0.23CC..SBendtrans-119139.6176.8-67.3-74.3000112D7 D61 V276D7-H10 PolarHBondContact O-N 2.79Å; H10-D61 VanDerWaalsContact CA-OD2 3.23Å; H10-D61 WeakPolarHBondContact CA-OD2 3.14Å; H10-D61 HydrophobicContact CB-CB 4.04Å; H10-D61 VanDerWaalsContact ND1-CG 3.3Å; H10-D61 IonicContact ND1-OD1 3.48Å; H10-D61 PolarHBondContact ND1-OD1 3.49Å; H10-D61 IonicContact ND1-OD2 3.57Å; H10-V276 WeakPolarHBondContact CD2-CG1 3.36Å; H10-V276 WeakPolarHBondContact NE2-CG1 3.11Å
11N86.1Confident71.7Confident60 Ų6048.4 Ų48.432%0.32124%0.237SC..  trans-96.5106178.9-65.6-21.3000109.7F13 E30 K59 A60 D61N11-F13 HydrophobicContact CB-CE1 4.4Å; N11-E30 HydrophobicContact CB-CB 4.18Å; N11-E30 HydrophobicContact CB-CG 4.32Å; N11-K59 WeakPolarHBondContact CB-O 3.33Å; N11-K59 PolarHBondContact ND2-O 3.43Å; N11-A60 CarbonylContact O-C 3.56Å; N11-A60 VanDerWaalsContact O-CA 3.27Å; N11-A60 WeakPolarHBondContact O-CA 3.42Å; N11-D61 PolarHBondContact N-OD2 3.48Å; N11-D61 PolarHBondContact O-N 2.79Å
12D87.9Confident73.9Confident11 Ų1147.2 Ų47.26%0.05923%0.234CC..EExtended strand (participates in β ladder)trans-91.7129.2178.6-67.3-21.8000111.1V5 P29 E30 F31 M62V5-D12 PolarHBondContact N-OD2 3.03Å; D12-P29 HydrophobicContact CB-CB 4.31Å; D12-P29 WeakPolarHBondContact O-CB 3.08Å; D12-E30 PolarHBondContact O-N 2.84Å; D12-F31 PolarHBondContact O-N 3.2Å; D12-M62 WeakPolarHBondContact OD1-CB 3.23Å
13F93Very high75.7Confident25 Ų2548.3 Ų48.311%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-113.5111.4176.2-82.856.3000110.4N11 Y15 E30 F31 A54 K59 A60 M62 A63 A64N11-F13 HydrophobicContact CB-CE1 4.4Å; F13-Y15 HydrophobicContact CB-CE2 3.97Å; F13-E30 HydrophobicContact CD1-CB 4.39Å; F13-E30 HydrophobicContact CE1-CB 3.98Å; F13-E30 HydrophobicContact CE1-CG 3.85Å; F13-E30 HydrophobicContact CZ-CG 4.32Å; F13-F31 HydrophobicContact CB-CB 4.34Å; F13-F31 HydrophobicContact CD1-CB 4.09Å; F13-F31 HydrophobicContact CD2-CB 3.35Å; F13-F31 AromaticContact CD2-CD1 3.84Å; F13-F31 HydrophobicContact CD2-CD1 3.84Å; F13-F31 AromaticContact CD2-CG 3.69Å; F13-F31 HydrophobicContact CD2-CG 3.69Å; F13-F31 HydrophobicContact CE1-CB 4.19Å; F13-F31 HydrophobicContact CE2-CB 3.47Å; F13-F31 VanDerWaalsContact CE2-CB 3.47Å; F13-F31 HydrophobicContact CE2-CD1 4.45Å; F13-F31 HydrophobicContact CE2-CD2 4.43Å; F13-F31 AromaticContact CE2-CG 3.89Å; F13-F31 HydrophobicContact CE2-CG 3.89Å; F13-F31 HydrophobicContact CG-CB 3.68Å; F13-F31 HydrophobicContact CG-CD1 4.45Å; F13-F31 HydrophobicContact CG-CG 4.38Å; F13-F31 HydrophobicContact CZ-CB 3.9Å; F13-A54 HydrophobicContact CD2-CB 3.92Å; F13-A54 HydrophobicContact CE2-CB 4.01Å; F13-A54 HydrophobicContact CG-CB 4.36Å; F13-K59 VanDerWaalsContact CE1-O 3.28Å; F13-K59 WeakPolarHBondContact CE1-O 3.39Å; F13-K59 HydrophobicContact CZ-CB 4.26Å; F13-A60 HydrophobicContact CB-CB 4.15Å; F13-A60 HydrophobicContact CD1-CB 3.35Å; F13-A60 HydrophobicContact CE1-CB 3.86Å; F13-A60 HydrophobicContact CG-CB 3.78Å; F13-M62 PolarHBondContact N-O 3.25Å; F13-A63 HydrophobicContact CB-CB 4.39Å; F13-A63 CarbonylContact O-C 3.59Å; F13-A63 WeakPolarHBondContact O-CA 3.44Å; F13-A64 PolarHBondContact O-N 2.93Å
14L91.4Very high77Confident3 Ų350.7 Ų50.72%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-110.2126.9-175.8-55.5-175.5000110.7F17 C20 P29 F31 C32 K33 A64L14-F17 HydrophobicContact CB-CB 4.21Å; L14-C20 HydrophobicContact CB-CB 3.56Å; L14-C20 HydrophobicContact CD1-CB 3.55Å; L14-C20 HydrophobicContact CG-CB 4.17Å; L14-P29 HydrophobicContact CD1-CB 3.91Å; L14-P29 HydrophobicContact CD1-CG 4.01Å; L14-P29 HydrophobicContact CG-CB 3.93Å; L14-P29 HydrophobicContact CG-CG 4.35Å; L14-F31 PolarHBondContact N-O 2.72Å; L14-C32 CarbonylContact O-C 3.5Å; L14-C32 VanDerWaalsContact O-CA 3.32Å; L14-C32 WeakPolarHBondContact O-CA 3.47Å; L14-K33 PolarHBondContact O-N 3.34Å; L14-A64 HydrophobicContact CD2-CB 3.63Å
15Y92.3Very high78.2Confident13 Ų1356.6 Ų56.65%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-117.2113.6179.2-60.5-98.2000110.2F13 F17 F31 K33 S50 S51 A64 V65 Y66F13-Y15 HydrophobicContact CB-CE2 3.97Å; Y15-F17 PolarHBondContact O-N 2.89Å; Y15-F31 AromaticContact CD1-CE1 3.78Å; Y15-F31 HydrophobicContact CD1-CE1 3.78Å; Y15-F31 HydrophobicContact CE1-CD1 4.08Å; Y15-F31 AromaticContact CE1-CE1 3.36Å; Y15-F31 HydrophobicContact CE1-CE1 3.36Å; Y15-F31 HydrophobicContact CE1-CZ 4.11Å; Y15-F31 HydrophobicContact CE2-CD1 4.42Å; Y15-F31 HydrophobicContact CE2-CE1 4.46Å; Y15-F31 HydrophobicContact CG-CE1 4.47Å; Y15-F31 AromaticContact CZ-CD1 3.98Å; Y15-F31 AromaticContact CZ-CE1 3.75Å; Y15-K33 HydrophobicContact CD1-CB 4.02Å; Y15-K33 HydrophobicContact CD1-CD 4.25Å; Y15-S50 WeakPolarHBondContact OH-CB 3.12Å; Y15-S51 WeakPolarHBondContact CD2-OG 3.36Å; Y15-S51 WeakPolarHBondContact CE2-OG 3.01Å; Y15-A64 PolarHBondContact N-O 3.48Å; Y15-V65 HydrophobicContact CD2-CG2 4.12Å; Y15-V65 HydrophobicContact CG-CG2 4.4Å; Y15-V65 WeakPolarHBondContact O-CA 3.39Å; Y15-Y66 PolarHBondContact O-N 2.99Å
16L87.3Confident79.5Confident2 Ų263.2 Ų63.21%0.0132%0.318CS..SBendtrans61.29.7179.4-47.8177.3000113.9K33 E34 V36 P39 Y66L16-K33 WeakPolarHBondContact CA-O 3.4Å; L16-K33 HydrophobicContact CD2-CD 4.01Å; L16-K33 HydrophobicContact CD2-CG 4Å; L16-K33 HydrophobicContact CG-CD 4.46Å; L16-K33 PolarHBondContact N-O 3.09Å; L16-E34 WeakPolarHBondContact CD2-O 3.34Å; L16-V36 HydrophobicContact CD2-CG2 4Å; L16-P39 HydrophobicContact CD1-CB 3.6Å; L16-P39 HydrophobicContact CD1-CG 3.82Å; L16-Y66 HydrophobicContact CB-CD1 4.45Å; L16-Y66 WeakPolarHBondContact O-CB 3.34Å; L16-Y66 WeakPolarHBondContact O-CD1 3.49Å
17F84.1Confident81Confident32 Ų3262.8 Ų62.814%0.1432%0.315CS..  trans-80.2124.7-174.6-155.9-80.6000110.1L3 L14 Y15 G19 C20 A64L3-F17 HydrophobicContact CB-CE1 4.22Å; L3-F17 HydrophobicContact CB-CZ 4.5Å; L3-F17 HydrophobicContact CD1-CD2 4.32Å; L3-F17 HydrophobicContact CD1-CE1 4.06Å; L3-F17 HydrophobicContact CD1-CE2 3.63Å; L3-F17 HydrophobicContact CD1-CZ 3.51Å; L3-F17 HydrophobicContact CG-CZ 4.4Å; L14-F17 HydrophobicContact CB-CB 4.21Å; Y15-F17 PolarHBondContact O-N 2.89Å; F17-G19 PolarHBondContact O-N 3.13Å; F17-C20 WeakPolarHBondContact O-CB 3.44Å; F17-C20 PolarHBondContact O-N 2.99Å; F17-C20 VanDerWaalsContact O-N 3.14Å; F17-A64 HydrophobicContact CD2-CB 3.97Å
18L80.1Confident82.3Confident104 Ų10467.2 Ų67.255%0.54533%0.328SS..THydrogen-bonded Turntrans-56.4127.6-178.5-69.1171.9000111.6Y35L18-Y35 HydrophobicContact CD2-CG 4.35Å
19G79.3Confident83.8Confident13 Ų1361 Ų6113%0.13430%0.296CS..THydrogen-bonded Turntrans91.11.7178.600000114.4F17 E21 V22F17-G19 PolarHBondContact O-N 3.13Å; G19-E21 WeakPolarHBondContact CA-OE2 3.3Å; G19-E21 PolarHBondContact N-OE2 3.01Å; G19-E21 VanDerWaalsContact N-OE2 3.11Å; G19-E21 PolarHBondContact O-N 3.24Å; G19-V22 PolarHBondContact O-N 3.42Å
20C83.6Confident84.9Confident3 Ų358.2 Ų58.22%0.0229%0.291CS..THydrogen-bonded Turntrans-66.4-26.5172.2800000112.6L14 F17 V22 P29 C32L14-C20 HydrophobicContact CB-CB 3.56Å; L14-C20 HydrophobicContact CD1-CB 3.55Å; L14-C20 HydrophobicContact CG-CB 4.17Å; F17-C20 WeakPolarHBondContact O-CB 3.44Å; F17-C20 PolarHBondContact O-N 2.99Å; F17-C20 VanDerWaalsContact O-N 3.14Å; C20-V22 VanDerWaalsContact C-N 3.33Å; C20-P29 HydrophobicContact CB-CG 4.15Å; C20-P29 WeakPolarHBondContact O-CD 3.28Å; C20-C32 HydrophobicContact CB-CB 3.71Å; C20-C32 WeakPolarHBondContact CB-SG 3.23Å; C20-C32 PolarHBondContact O-SG 3.39Å; C20-C32 WeakPolarHBondContact SG-CB 3.45Å; C20-C32 CovalentContact SG-SG 2.05Å; C20-C32 PolarHBondContact SG-SG 2.99Å
21E83.2Confident85.7Confident79 Ų7959.6 Ų59.637%0.36930%0.297SS..THydrogen-bonded Turntrans-80.8-12.9179.670.9-76.9-177.600113.4G19 C32 E34G19-E21 WeakPolarHBondContact CA-OE2 3.3Å; G19-E21 PolarHBondContact N-OE2 3.01Å; G19-E21 VanDerWaalsContact N-OE2 3.11Å; G19-E21 PolarHBondContact O-N 3.24Å; E21-C32 PolarHBondContact N-SG 3.19Å; E21-C32 VanDerWaalsContact N-SG 3.41Å; E21-E34 HydrophobicContact CB-CG 4.32Å
22V84.9Confident86Confident69 Ų6958.7 Ų58.742%0.41829%0.294SS..SBendtrans-102.4131.4-176.1-173.70000110.1G19 C20 I24G19-V22 PolarHBondContact O-N 3.42Å; C20-V22 VanDerWaalsContact C-N 3.33Å; V22-I24 HydrophobicContact CB-CD1 4.38Å; V22-I24 HydrophobicContact CB-CG1 4.46Å; V22-I24 HydrophobicContact CG1-CD1 4.36Å; V22-I24 HydrophobicContact CG1-CG1 4.06Å; V22-I24 PolarHBondContact O-N 3.27Å
23E85.5Confident86.2Confident93 Ų9360.3 Ų60.344%0.43530%0.301SS..  trans-75.4118.1171.4-169.6172.1140.900110.4N26 R28E23-N26 WeakPolarHBondContact OE1-CA 3.27Å; E23-R28 HydrophobicContact CB-CG 4.11Å; E23-R28 HydrophobicContact CG-CG 4.11Å; E23-R28 IonicContact OE2-CZ 3.69Å; E23-R28 IonicContact OE2-NE 3.15Å; E23-R28 PolarHBondContact OE2-NE 3.22Å; E23-R28 VanDerWaalsContact OE2-NE 3.15Å; E23-R28 IonicContact OE2-NH2 3.39Å; E23-R28 PolarHBondContact OE2-NH2 3.1Å
24I80.6Confident86Confident53 Ų5365.6 Ų65.627%0.27233%0.326SS..BIsolated β-bridgetrans-122.9126.5-176.7-70.4166.2000107.6H2 Q4 V22 N26 V27H2-I24 WeakPolarHBondContact CE1-CD1 3.28Å; H2-I24 WeakPolarHBondContact NE2-CB 3.07Å; H2-I24 VanDerWaalsContact NE2-CD1 3.34Å; H2-I24 WeakPolarHBondContact NE2-CD1 3.35Å; Q4-I24 PolarHBondContact OE1-O 2.95Å; V22-I24 HydrophobicContact CB-CD1 4.38Å; V22-I24 HydrophobicContact CB-CG1 4.46Å; V22-I24 HydrophobicContact CG1-CD1 4.36Å; V22-I24 HydrophobicContact CG1-CG1 4.06Å; V22-I24 PolarHBondContact O-N 3.27Å; I24-N26 PolarHBondContact O-N 3.38Å; I24-V27 PolarHBondContact N-O 3.08Å; I24-V27 PolarHBondContact O-N 3.03Å
25L82.6Confident85.7Confident131 Ų13169.1 Ų69.169%0.68634%0.339SS*.THydrogen-bonded Turntrans53.633.9-173.9-56.2175.9000113.4V27L25-V27 PolarHBondContact O-N 3.28Å
26N82.3Confident85.4Confident143 Ų14371.8 Ų71.877%0.76536%0.357SS*.THydrogen-bonded Turntrans62.524.1-176-50.8-33000114.5E23 I24E23-N26 WeakPolarHBondContact OE1-CA 3.27Å; I24-N26 PolarHBondContact O-N 3.38Å
27V80.1Confident85Confident38 Ų3877.3 Ų77.323%0.2339%0.391CS..BIsolated β-bridgetrans-122.4142.3178.2-178.10000109.8Q4 I24 L25Q4-V27 PolarHBondContact NE2-O 2.72Å; I24-V27 PolarHBondContact N-O 3.08Å; I24-V27 PolarHBondContact O-N 3.03Å; L25-V27 PolarHBondContact O-N 3.28Å
28R84.4Confident84.8Confident149 Ų14978 Ų7856%0.56240%0.4SS*.  trans-125.2151.6171.2-68.3-174.8-174.2-136.9-3109.1E23E23-R28 HydrophobicContact CB-CG 4.11Å; E23-R28 HydrophobicContact CG-CG 4.11Å; E23-R28 IonicContact OE2-CZ 3.69Å; E23-R28 IonicContact OE2-NE 3.15Å; E23-R28 PolarHBondContact OE2-NE 3.22Å; E23-R28 VanDerWaalsContact OE2-NE 3.15Å; E23-R28 IonicContact OE2-NH2 3.39Å; E23-R28 PolarHBondContact OE2-NH2 3.1Å
29P87.8Confident85Confident17 Ų1773.3 Ų73.311%0.1138%0.376CS..  trans-61153.1168.631.6-38.4000110.3D12 L14 C20 F31 C32D12-P29 HydrophobicContact CB-CB 4.31Å; D12-P29 WeakPolarHBondContact O-CB 3.08Å; L14-P29 HydrophobicContact CD1-CB 3.91Å; L14-P29 HydrophobicContact CD1-CG 4.01Å; L14-P29 HydrophobicContact CG-CB 3.93Å; L14-P29 HydrophobicContact CG-CG 4.35Å; C20-P29 HydrophobicContact CB-CG 4.15Å; C20-P29 WeakPolarHBondContact O-CD 3.28Å; P29-F31 PolarHBondContact O-N 3.01Å; P29-C32 HydrophobicContact CG-CB 3.91Å
30E90.7Very high85.5Confident134 Ų13475.1 Ų75.163%0.62639%0.386SS*.SBendtrans-62.6-32.3176.1-176.760.2-160.500110.8N11 D12 F13N11-E30 HydrophobicContact CB-CB 4.18Å; N11-E30 HydrophobicContact CB-CG 4.32Å; D12-E30 PolarHBondContact O-N 2.84Å; F13-E30 HydrophobicContact CD1-CB 4.39Å; F13-E30 HydrophobicContact CE1-CB 3.98Å; F13-E30 HydrophobicContact CE1-CG 3.85Å; F13-E30 HydrophobicContact CZ-CG 4.32Å
31F92.7Very high85.7Confident80 Ų8078.3 Ų78.335%0.35140%0.401SS..EExtended strand (participates in β ladder)trans-138.3136.8172.8178.6-91.1000111.7D12 F13 L14 Y15 P29 K33D12-F31 PolarHBondContact O-N 3.2Å; F13-F31 HydrophobicContact CB-CB 4.34Å; F13-F31 HydrophobicContact CD1-CB 4.09Å; F13-F31 HydrophobicContact CD2-CB 3.35Å; F13-F31 AromaticContact CD2-CD1 3.84Å; F13-F31 HydrophobicContact CD2-CD1 3.84Å; F13-F31 AromaticContact CD2-CG 3.69Å; F13-F31 HydrophobicContact CD2-CG 3.69Å; F13-F31 HydrophobicContact CE1-CB 4.19Å; F13-F31 HydrophobicContact CE2-CB 3.47Å; F13-F31 VanDerWaalsContact CE2-CB 3.47Å; F13-F31 HydrophobicContact CE2-CD1 4.45Å; F13-F31 HydrophobicContact CE2-CD2 4.43Å; F13-F31 AromaticContact CE2-CG 3.89Å; F13-F31 HydrophobicContact CE2-CG 3.89Å; F13-F31 HydrophobicContact CG-CB 3.68Å; F13-F31 HydrophobicContact CG-CD1 4.45Å; F13-F31 HydrophobicContact CG-CG 4.38Å; F13-F31 HydrophobicContact CZ-CB 3.9Å; L14-F31 PolarHBondContact N-O 2.72Å; Y15-F31 AromaticContact CD1-CE1 3.78Å; Y15-F31 HydrophobicContact CD1-CE1 3.78Å; Y15-F31 HydrophobicContact CE1-CD1 4.08Å; Y15-F31 AromaticContact CE1-CE1 3.36Å; Y15-F31 HydrophobicContact CE1-CE1 3.36Å; Y15-F31 HydrophobicContact CE1-CZ 4.11Å; Y15-F31 HydrophobicContact CE2-CD1 4.42Å; Y15-F31 HydrophobicContact CE2-CE1 4.46Å; Y15-F31 HydrophobicContact CG-CE1 4.47Å; Y15-F31 AromaticContact CZ-CD1 3.98Å; Y15-F31 AromaticContact CZ-CE1 3.75Å; P29-F31 PolarHBondContact O-N 3.01Å; F31-K33 HydrophobicContact CE1-CB 3.84Å; F31-K33 HydrophobicContact CZ-CB 4.11Å
32C92.3Very high86Confident40 Ų4082 Ų8227%0.2742%0.418SS..EExtended strand (participates in β ladder)trans-133.9116.1172.2168.40000109.3L14 C20 E21 P29L14-C32 CarbonylContact O-C 3.5Å; L14-C32 VanDerWaalsContact O-CA 3.32Å; L14-C32 WeakPolarHBondContact O-CA 3.47Å; C20-C32 HydrophobicContact CB-CB 3.71Å; C20-C32 WeakPolarHBondContact CB-SG 3.23Å; C20-C32 PolarHBondContact O-SG 3.39Å; C20-C32 WeakPolarHBondContact SG-CB 3.45Å; C20-C32 CovalentContact SG-SG 2.05Å; C20-C32 PolarHBondContact SG-SG 2.99Å; E21-C32 PolarHBondContact N-SG 3.19Å; E21-C32 VanDerWaalsContact N-SG 3.41Å; P29-C32 HydrophobicContact CG-CB 3.91Å
33K92.3Very high86.4Confident46 Ų4681 Ų8120%0.241%0.41CS..EExtended strand (participates in β ladder)trans-87.2109.9159.4-179.9-176.8179.6-172.60106.7L14 Y15 L16 F31 D43L14-K33 PolarHBondContact O-N 3.34Å; Y15-K33 HydrophobicContact CD1-CB 4.02Å; Y15-K33 HydrophobicContact CD1-CD 4.25Å; L16-K33 WeakPolarHBondContact CA-O 3.4Å; L16-K33 HydrophobicContact CD2-CD 4.01Å; L16-K33 HydrophobicContact CD2-CG 4Å; L16-K33 HydrophobicContact CG-CD 4.46Å; L16-K33 PolarHBondContact N-O 3.09Å; F31-K33 HydrophobicContact CE1-CB 3.84Å; F31-K33 HydrophobicContact CZ-CB 4.11Å; K33-D43 IonicContact NZ-OD1 3.62Å; K33-D43 PolarHBondContact NZ-OD1 2.79Å
34E88.9Confident86.7Confident136 Ų13677 Ų7764%0.63639%0.392SS*.  trans-57.6148.2-178.6-65.1-176.9-170.500112.2L16 E21L16-E34 WeakPolarHBondContact CD2-O 3.34Å; E21-E34 HydrophobicContact CB-CG 4.32Å
35Y85.8Confident87.3Confident76 Ų7677 Ų7730%0.29839%0.392SS..  trans-59.2136.9177.8173-98.3000111.9L18 Y66 E68L18-Y35 HydrophobicContact CD2-CG 4.35Å; Y35-Y66 HydrophobicContact CD2-CD1 4.22Å; Y35-Y66 HydrophobicContact CD2-CE1 4.23Å; Y35-Y66 HydrophobicContact CE2-CD1 4.2Å; Y35-Y66 AromaticContact CE2-CE1 3.79Å; Y35-Y66 HydrophobicContact CE2-CE1 3.79Å; Y35-E68 WeakPolarHBondContact CE2-OE1 3.39Å; Y35-E68 VanDerWaalsContact OH-CD 3.23Å; Y35-E68 PolarHBondContact OH-OE1 2.9Å; Y35-E68 PolarHBondContact OH-OE2 3.17Å
36V84.8Confident87.8Confident69 Ų6976.1 Ų76.142%0.41838%0.384SS..  trans-127.1142.7169.8-620000108.4L16 P39L16-V36 HydrophobicContact CD2-CG2 4Å; V36-P39 HydrophobicContact CG2-CB 4.27Å
37T79.3Confident88.4Confident118 Ų11869.3 Ų69.372%0.72435%0.348SS*.SBendtrans-70.1131.4-178.8-50.10000111.7
38S80.3Confident89.1Confident48 Ų4868.1 Ų68.134%0.33634%0.34SS..SBendtrans49.463.8-178.8-1780000113.3E68S38-E68 VanDerWaalsContact CA-OE1 3.31Å; S38-E68 WeakPolarHBondContact CA-OE1 3.5Å; S38-E68 PolarHBondContact N-OE1 2.96Å
39P83.7Confident89.6Confident4 Ų463.2 Ų63.23%0.02633%0.327CS..  trans-56.1142.6177.128.6-35.4000110.8L16 V36 D43 Y67 E68L16-P39 HydrophobicContact CD1-CB 3.6Å; L16-P39 HydrophobicContact CD1-CG 3.82Å; V36-P39 HydrophobicContact CG2-CB 4.27Å; P39-D43 HydrophobicContact CB-CB 3.93Å; P39-Y67 HydrophobicContact CG-CD2 4.24Å; P39-E68 WeakPolarHBondContact CD-OE1 3.49Å; P39-E68 HydrophobicContact CG-CG 4.28Å
40S88.8Confident89.9Confident51 Ų5163.9 Ų63.936%0.35733%0.332SS..  trans-72166.9179.966.90000111.8E42 D43 L44S40-E42 PolarHBondContact O-N 3.2Å; S40-E42 PolarHBondContact OG-N 2.94Å; S40-D43 PolarHBondContact N-OD2 3.3Å; S40-D43 WeakPolarHBondContact O-CB 3.22Å; S40-D43 PolarHBondContact O-N 3.38Å; S40-D43 PolarHBondContact OG-N 3.12Å; S40-D43 PolarHBondContact OG-OD2 3.31Å; S40-L44 PolarHBondContact O-N 3.04Å; S40-L44 VanDerWaalsContact O-N 3.14Å
41E88.8Confident90.1Very high70 Ų7057.9 Ų57.933%0.32731%0.305SS..Hα-helixtrans-61.8-33169.1-72167.5-152.700111.6L44 I45 H90E41-L44 WeakPolarHBondContact O-CB 3.13Å; E41-L44 PolarHBondContact O-N 3.47Å; E41-I45 WeakPolarHBondContact O-CG1 3.26Å; E41-I45 PolarHBondContact O-N 3.03Å; E41-H90 WeakPolarHBondContact OE1-CB 3.21Å; E41-H90 IonicContact OE1-CE1 2.63Å; E41-H90 IonicContact OE1-CG 3.44Å; E41-H90 IonicContact OE1-ND1 3.2Å; E41-H90 PolarHBondContact OE1-ND1 2.79Å; E41-H90 IonicContact OE2-CG 3.36Å; E41-H90 IonicContact OE2-ND1 3.52Å
42E90.3Very high90.3Very high158 Ų15854.5 Ų54.574%0.73829%0.29SS*.Hα-helixtrans-63.7-41.6174-173.3177.1-179.700111.4S40 L44 I45 H46S40-E42 PolarHBondContact O-N 3.2Å; S40-E42 PolarHBondContact OG-N 2.94Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 2.76Å; E42-I45 PolarHBondContact O-N 2.92Å; E42-H46 VanDerWaalsContact O-CB 3.26Å; E42-H46 WeakPolarHBondContact O-CB 3.32Å; E42-H46 PolarHBondContact O-N 3.1Å
43D91.5Very high90.4Very high47 Ų4755.3 Ų55.325%0.25130%0.3SS..Hα-helixtrans-59.8-41.2173.7-76.6-66.7000112.2K33 P39 S40 S47K33-D43 IonicContact NZ-OD1 3.62Å; K33-D43 PolarHBondContact NZ-OD1 2.79Å; P39-D43 HydrophobicContact CB-CB 3.93Å; S40-D43 PolarHBondContact N-OD2 3.3Å; S40-D43 WeakPolarHBondContact O-CB 3.22Å; S40-D43 PolarHBondContact O-N 3.38Å; S40-D43 PolarHBondContact OG-N 3.12Å; S40-D43 PolarHBondContact OG-OD2 3.31Å; D43-S47 VanDerWaalsContact O-CB 3.3Å; D43-S47 WeakPolarHBondContact O-CB 3.21Å; D43-S47 PolarHBondContact O-N 2.98Å; D43-S47 PolarHBondContact O-OG 3.17Å
44L92.6Very high90.5Very high8 Ų853.4 Ų53.44%0.04229%0.293CS..Hα-helixtrans-64.5-50.2177.3178.359.1000110.9S40 E41 E42 H46 S47 I48 V65 Y67 L91 T94S40-L44 PolarHBondContact O-N 3.04Å; S40-L44 VanDerWaalsContact O-N 3.14Å; E41-L44 WeakPolarHBondContact O-CB 3.13Å; E41-L44 PolarHBondContact O-N 3.47Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 2.76Å; L44-H46 VanDerWaalsContact C-N 3.3Å; L44-H46 PolarHBondContact O-N 3.06Å; L44-S47 PolarHBondContact O-N 3.26Å; L44-I48 HydrophobicContact CD1-CD1 3.86Å; L44-I48 HydrophobicContact CD1-CG1 4.25Å; L44-I48 HydrophobicContact CG-CD1 3.9Å; L44-I48 WeakPolarHBondContact O-CB 3.5Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 2.81Å; L44-V65 HydrophobicContact CD1-CG1 3.76Å; L44-Y67 HydrophobicContact CB-CD2 3.99Å; L44-Y67 HydrophobicContact CB-CE2 4.09Å; L44-Y67 HydrophobicContact CD1-CD2 4.32Å; L44-Y67 HydrophobicContact CD1-CG 4.3Å; L44-Y67 HydrophobicContact CD2-CD1 3.95Å; L44-Y67 HydrophobicContact CD2-CD2 3.85Å; L44-Y67 HydrophobicContact CD2-CE1 4.05Å; L44-Y67 HydrophobicContact CD2-CE2 3.98Å; L44-Y67 HydrophobicContact CD2-CG 3.83Å; L44-Y67 HydrophobicContact CG-CD2 4.26Å; L44-Y67 HydrophobicContact CG-CG 4.49Å; L44-L91 HydrophobicContact CD2-CD1 3.74Å; L44-T94 HydrophobicContact CD2-CG2 3.7Å; L44-T94 HydrophobicContact CG-CG2 3.84Å
45I93.2Very high90.8Very high55 Ų5548.6 Ų48.628%0.28227%0.271SS..Hα-helixtrans-59.2-43.1178.2-69.6165.9000110.8E41 E42 T49 T94 I97E41-I45 WeakPolarHBondContact O-CG1 3.26Å; E41-I45 PolarHBondContact O-N 3.03Å; E42-I45 PolarHBondContact O-N 2.92Å; I45-T49 WeakPolarHBondContact O-CB 3.48Å; I45-T49 PolarHBondContact O-N 2.77Å; I45-T49 PolarHBondContact O-OG1 2.92Å; I45-T94 HydrophobicContact CG1-CG2 3.75Å; I45-I97 HydrophobicContact CD1-CD1 4.12Å; I45-I97 HydrophobicContact CG1-CD1 4.5Å
46H94Very high91.2Very high111 Ų11148.1 Ų48.151%0.51428%0.279SS..Hα-helixtrans-65.9-42.8178.5-179.3-128.9000111.8E42 L44 T49 S50E42-H46 VanDerWaalsContact O-CB 3.26Å; E42-H46 WeakPolarHBondContact O-CB 3.32Å; E42-H46 PolarHBondContact O-N 3.1Å; L44-H46 VanDerWaalsContact C-N 3.3Å; L44-H46 PolarHBondContact O-N 3.06Å; H46-T49 PolarHBondContact O-N 3.47Å; H46-S50 VanDerWaalsContact O-CB 3.3Å; H46-S50 WeakPolarHBondContact O-CB 3.37Å; H46-S50 PolarHBondContact O-N 3.28Å; H46-S50 PolarHBondContact O-OG 2.76Å
47S94.8Very high91.6Very high0 Ų048.3 Ų48.30%028%0.283CS..Hα-helixtrans-65.3-42.3178.1-560000111.4D43 L44 S50 S51D43-S47 VanDerWaalsContact O-CB 3.3Å; D43-S47 WeakPolarHBondContact O-CB 3.21Å; D43-S47 PolarHBondContact O-N 2.98Å; D43-S47 PolarHBondContact O-OG 3.17Å; L44-S47 PolarHBondContact O-N 3.26Å; S47-S50 PolarHBondContact O-N 3.13Å; S47-S51 VanDerWaalsContact O-CB 3.31Å; S47-S51 WeakPolarHBondContact O-CB 3.5Å; S47-S51 PolarHBondContact O-N 2.85Å; S47-S51 PolarHBondContact O-OG 2.84Å
48I94.2Very high92.2Very high13 Ų1345.4 Ų45.47%0.06728%0.277CS..Hα-helixtrans-60-50.1173.1-76.2167.6000111.2L44 S50 S51 L52 T94 M95 L98L44-I48 HydrophobicContact CD1-CD1 3.86Å; L44-I48 HydrophobicContact CD1-CG1 4.25Å; L44-I48 HydrophobicContact CG-CD1 3.9Å; L44-I48 WeakPolarHBondContact O-CB 3.5Å; L44-I48 WeakPolarHBondContact O-CG1 3.29Å; L44-I48 PolarHBondContact O-N 2.81Å; I48-S50 VanDerWaalsContact C-N 3.33Å; I48-S50 PolarHBondContact O-N 2.84Å; I48-S51 WeakPolarHBondContact O-CB 3.45Å; I48-S51 PolarHBondContact O-N 3.46Å; I48-L52 HydrophobicContact CG2-CD1 4.4Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 3.29Å; I48-T94 HydrophobicContact CD1-CG2 3.76Å; I48-M95 HydrophobicContact CD1-CE 3.75Å; I48-L98 HydrophobicContact CG2-CB 4.07Å; I48-L98 HydrophobicContact CG2-CD1 3.43Å; I48-L98 VanDerWaalsContact CG2-CD1 3.43Å; I48-L98 HydrophobicContact CG2-CG 4.31Å
49T94.3Very high92.8Very high47 Ų4749.6 Ų49.629%0.28829%0.289SS..Hα-helixtrans-63.7-41.8-177.4-56.80000111I45 H46 L52 A53 K101I45-T49 WeakPolarHBondContact O-CB 3.48Å; I45-T49 PolarHBondContact O-N 2.77Å; I45-T49 PolarHBondContact O-OG1 2.92Å; H46-T49 PolarHBondContact O-N 3.47Å; T49-L52 PolarHBondContact O-N 2.9Å; T49-A53 PolarHBondContact O-N 2.97Å; T49-A53 VanDerWaalsContact O-N 3.07Å; T49-K101 HydrophobicContact CG2-CD 4.41Å; T49-K101 WeakPolarHBondContact OG1-CE 3.31Å
50S95.4Very high93.3Very high31 Ų3149.6 Ų49.622%0.21729%0.29CS..Hα-helixtrans-64.8-41.4176.5-59.60000111.8Y15 H46 S47 I48 A53 A54Y15-S50 WeakPolarHBondContact OH-CB 3.12Å; H46-S50 VanDerWaalsContact O-CB 3.3Å; H46-S50 WeakPolarHBondContact O-CB 3.37Å; H46-S50 PolarHBondContact O-N 3.28Å; H46-S50 PolarHBondContact O-OG 2.76Å; S47-S50 PolarHBondContact O-N 3.13Å; I48-S50 VanDerWaalsContact C-N 3.33Å; I48-S50 PolarHBondContact O-N 2.84Å; S50-A53 PolarHBondContact O-N 3.45Å; S50-A54 WeakPolarHBondContact O-CB 3.26Å; S50-A54 PolarHBondContact O-N 3.4Å
51S95.2Very high93.5Very high8 Ų850.5 Ų50.56%0.05629%0.29CS..Hα-helixtrans-59.4-49.1176-620000111.3Y15 S47 I48 A53 A54 L55 V65Y15-S51 WeakPolarHBondContact CD2-OG 3.36Å; Y15-S51 WeakPolarHBondContact CE2-OG 3.01Å; S47-S51 VanDerWaalsContact O-CB 3.31Å; S47-S51 WeakPolarHBondContact O-CB 3.5Å; S47-S51 PolarHBondContact O-N 2.85Å; S47-S51 PolarHBondContact O-OG 2.84Å; I48-S51 WeakPolarHBondContact O-CB 3.45Å; I48-S51 PolarHBondContact O-N 3.46Å; S51-A53 VanDerWaalsContact C-N 3.32Å; S51-A53 PolarHBondContact O-N 3.34Å; S51-A54 PolarHBondContact O-N 2.88Å; S51-L55 WeakPolarHBondContact O-CB 3.25Å; S51-L55 WeakPolarHBondContact O-CD1 3.44Å; S51-L55 VanDerWaalsContact O-CG 3.28Å; S51-L55 WeakPolarHBondContact O-CG 3.47Å; S51-L55 PolarHBondContact O-N 3.13Å; S51-V65 WeakPolarHBondContact OG-CG2 3.22Å
52L95.2Very high93.7Very high8 Ų848.3 Ų48.34%0.04228%0.28CS..Hα-helixtrans-61.7-39.6178.2-70.2179.2000112.3I48 T49 S56 L98 K101 I102 L107 L111I48-L52 HydrophobicContact CG2-CD1 4.4Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 3.29Å; T49-L52 PolarHBondContact O-N 2.9Å; L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.31Å; L52-L98 HydrophobicContact CD1-CD1 3.99Å; L52-L98 HydrophobicContact CD2-CD1 4.28Å; L52-L98 HydrophobicContact CG-CD1 4.29Å; L52-K101 HydrophobicContact CD1-CB 3.49Å; L52-K101 VanDerWaalsContact CD1-CB 3.49Å; L52-K101 HydrophobicContact CD1-CD 4.41Å; L52-I102 HydrophobicContact CD1-CG1 4.17Å; L52-I102 HydrophobicContact CD2-CG1 3.77Å; L52-L107 HydrophobicContact CD2-CD1 4.16Å; L52-L111 HydrophobicContact CD2-CD2 3.62Å
53A94.8Very high93.9Very high58 Ų5842.1 Ų42.148%0.47926%0.256SS..Hα-helixtrans-65.8-40.4176.300000112.2T49 S50 S51 S57T49-A53 PolarHBondContact O-N 2.97Å; T49-A53 VanDerWaalsContact O-N 3.07Å; S50-A53 PolarHBondContact O-N 3.45Å; S51-A53 VanDerWaalsContact C-N 3.32Å; S51-A53 PolarHBondContact O-N 3.34Å; A53-S57 WeakPolarHBondContact O-CB 3.3Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.19Å
54A95.3Very high94.1Very high6 Ų640.4 Ų40.45%0.0525%0.248CC..Hα-helixtrans-65-45.917700000111.6F13 S50 S51 S57 G58 K59 A60F13-A54 HydrophobicContact CD2-CB 3.92Å; F13-A54 HydrophobicContact CE2-CB 4.01Å; F13-A54 HydrophobicContact CG-CB 4.36Å; S50-A54 WeakPolarHBondContact O-CB 3.26Å; S50-A54 PolarHBondContact O-N 3.4Å; S51-A54 PolarHBondContact O-N 2.88Å; A54-S57 PolarHBondContact O-N 3.08Å; A54-S57 PolarHBondContact O-OG 2.96Å; A54-G58 PolarHBondContact O-N 3.3Å; A54-K59 HydrophobicContact CB-CB 4.46Å; A54-K59 PolarHBondContact O-N 2.91Å; A54-A60 HydrophobicContact CB-CB 3.82Å; A54-A60 PolarHBondContact O-N 3.07Å
55L94.4Very high94.2Very high35 Ų3542.4 Ų42.418%0.18326%0.261CS..Hα-helixtrans-62.7-48.2175.9-68.3163.7000111.4S51 S57 G58 A60 A63 L111S51-L55 WeakPolarHBondContact O-CB 3.25Å; S51-L55 WeakPolarHBondContact O-CD1 3.44Å; S51-L55 VanDerWaalsContact O-CG 3.28Å; S51-L55 WeakPolarHBondContact O-CG 3.47Å; S51-L55 PolarHBondContact O-N 3.13Å; L55-S57 VanDerWaalsContact C-N 3.28Å; L55-S57 PolarHBondContact O-N 2.93Å; L55-G58 PolarHBondContact O-N 3.25Å; L55-G58 VanDerWaalsContact O-N 3.12Å; L55-A60 HydrophobicContact CD2-CB 4.18Å; L55-A60 HydrophobicContact CG-CB 4.46Å; L55-A63 HydrophobicContact CD1-CB 4.13Å; L55-A63 HydrophobicContact CG-CB 4.41Å; L55-L111 HydrophobicContact CD1-CD1 3.86Å
56S93.8Very high94.2Very high66 Ų6642 Ų4246%0.46226%0.256SS..Hα-helixtrans-65-30.8-178.4-172.90000113.3L52 G58L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.31Å; S56-G58 VanDerWaalsContact C-N 3.33Å
57S93.9Very high94.2Very high72 Ų7238.7 Ų38.750%0.50324%0.239SC..THydrogen-bonded Turntrans-86.2-2.1177.859.90000114A53 A54 L55 K59A53-S57 WeakPolarHBondContact O-CB 3.3Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.19Å; A54-S57 PolarHBondContact O-N 3.08Å; A54-S57 PolarHBondContact O-OG 2.96Å; L55-S57 VanDerWaalsContact C-N 3.28Å; L55-S57 PolarHBondContact O-N 2.93Å; S57-K59 PolarHBondContact O-N 2.93Å; S57-K59 WeakPolarHBondContact OG-CG 3.34Å
58G91.3Very high94.1Very high58 Ų5839.4 Ų39.460%0.59824%0.243SC*.THydrogen-bonded Turntrans69.816.1-175.400000113.9A54 L55 S56A54-G58 PolarHBondContact O-N 3.3Å; L55-G58 PolarHBondContact O-N 3.25Å; L55-G58 VanDerWaalsContact O-N 3.12Å; S56-G58 VanDerWaalsContact C-N 3.33Å
59K93.9Very high94Very high136 Ų13641.4 Ų41.459%0.59125%0.251SS*.SBendtrans-75.9-28.6173.1-72.7-177.5179.6-177.50112N11 F13 A54 S57N11-K59 WeakPolarHBondContact CB-O 3.33Å; N11-K59 PolarHBondContact ND2-O 3.43Å; F13-K59 VanDerWaalsContact CE1-O 3.28Å; F13-K59 WeakPolarHBondContact CE1-O 3.39Å; F13-K59 HydrophobicContact CZ-CB 4.26Å; A54-K59 HydrophobicContact CB-CB 4.46Å; A54-K59 PolarHBondContact O-N 2.91Å; S57-K59 PolarHBondContact O-N 2.93Å; S57-K59 WeakPolarHBondContact OG-CG 3.34Å
60A93.7Very high94Very high4 Ų441.7 Ų41.73%0.03325%0.25CS..  trans-124.7143.217800000110.1N11 F13 A54 L55N11-A60 CarbonylContact O-C 3.56Å; N11-A60 VanDerWaalsContact O-CA 3.27Å; N11-A60 WeakPolarHBondContact O-CA 3.42Å; F13-A60 HydrophobicContact CB-CB 4.15Å; F13-A60 HydrophobicContact CD1-CB 3.35Å; F13-A60 HydrophobicContact CE1-CB 3.86Å; F13-A60 HydrophobicContact CG-CB 3.78Å; A54-A60 HydrophobicContact CB-CB 3.82Å; A54-A60 PolarHBondContact O-N 3.07Å; L55-A60 HydrophobicContact CD2-CB 4.18Å; L55-A60 HydrophobicContact CG-CB 4.46Å
61D92.4Very high94Very high70 Ų7042 Ų4237%0.37425%0.25SC..SBendtrans-95-29.9167.5-61.6-82.8000110.9H10 N11 L274H10-D61 VanDerWaalsContact CA-OD2 3.23Å; H10-D61 WeakPolarHBondContact CA-OD2 3.14Å; H10-D61 HydrophobicContact CB-CB 4.04Å; H10-D61 VanDerWaalsContact ND1-CG 3.3Å; H10-D61 IonicContact ND1-OD1 3.48Å; H10-D61 PolarHBondContact ND1-OD1 3.49Å; H10-D61 IonicContact ND1-OD2 3.57Å; N11-D61 PolarHBondContact N-OD2 3.48Å; N11-D61 PolarHBondContact O-N 2.79Å; D61-L274 WeakPolarHBondContact O-CD2 3.21Å
62M93.4Very high94Very high23 Ų2342.8 Ų42.811%0.11325%0.254CS..EExtended strand (participates in β ladder)trans-136.1141.9178.1-166.7-152.7156.700110L3 V5 D12 F13 A64 L274L3-M62 HydrophobicContact CD1-CE 4.1Å; L3-M62 HydrophobicContact CD2-CE 3.29Å; L3-M62 HydrophobicContact CD2-SD 3.92Å; L3-M62 HydrophobicContact CG-CE 4.22Å; V5-M62 HydrophobicContact CG2-SD 4.08Å; D12-M62 WeakPolarHBondContact OD1-CB 3.23Å; F13-M62 PolarHBondContact N-O 3.25Å; M62-A64 HydrophobicContact CE-CB 3.96Å; M62-L274 HydrophobicContact CB-CD1 4.1Å; M62-L274 HydrophobicContact CB-CD2 4.02Å; M62-L274 HydrophobicContact CG-CD1 4.04Å; M62-L274 HydrophobicContact CG-CD2 4.43Å; M62-L274 HydrophobicContact SD-CD1 4.2Å
63A95Very high93.9Very high29 Ų2943.5 Ų43.524%0.2426%0.257CS..EExtended strand (participates in β ladder)trans-127.3141.2164.900000111.2F13 L55F13-A63 HydrophobicContact CB-CB 4.39Å; F13-A63 CarbonylContact O-C 3.59Å; F13-A63 WeakPolarHBondContact O-CA 3.44Å; L55-A63 HydrophobicContact CD1-CB 4.13Å; L55-A63 HydrophobicContact CG-CB 4.41Å
64A94.5Very high94Very high10 Ų1040.8 Ų40.88%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-125.2134.4171.700000110.3L3 F13 L14 Y15 F17 M62L3-A64 HydrophobicContact CD1-CB 4.17Å; F13-A64 PolarHBondContact O-N 2.93Å; L14-A64 HydrophobicContact CD2-CB 3.63Å; Y15-A64 PolarHBondContact N-O 3.48Å; F17-A64 HydrophobicContact CD2-CB 3.97Å; M62-A64 HydrophobicContact CE-CB 3.96Å
65V94.9Very high93.9Very high50 Ų5041.4 Ų41.430%0.30324%0.237SC..EExtended strand (participates in β ladder)trans-125.5125.8179.1-1760000108.8Y15 L44 S51Y15-V65 HydrophobicContact CD2-CG2 4.12Å; Y15-V65 HydrophobicContact CG-CG2 4.4Å; Y15-V65 WeakPolarHBondContact O-CA 3.39Å; L44-V65 HydrophobicContact CD1-CG1 3.76Å; S51-V65 WeakPolarHBondContact OG-CG2 3.22Å
66Y93.6Very high93.8Very high48 Ų4842.8 Ų42.819%0.18824%0.242CC..  trans-99.7143.9175.7177.4-101.4000111.7Y15 L16 Y35 E68Y15-Y66 PolarHBondContact O-N 2.99Å; L16-Y66 HydrophobicContact CB-CD1 4.45Å; L16-Y66 WeakPolarHBondContact O-CB 3.34Å; L16-Y66 WeakPolarHBondContact O-CD1 3.49Å; Y35-Y66 HydrophobicContact CD2-CD1 4.22Å; Y35-Y66 HydrophobicContact CD2-CE1 4.23Å; Y35-Y66 HydrophobicContact CE2-CD1 4.2Å; Y35-Y66 AromaticContact CE2-CE1 3.79Å; Y35-Y66 HydrophobicContact CE2-CE1 3.79Å; Y66-E68 HydrophobicContact CE1-CB 3.69Å; Y66-E68 HydrophobicContact CE1-CG 4.29Å; Y66-E68 WeakPolarHBondContact OH-CB 3.5Å
67Y93.3Very high93.7Very high40 Ų4044.2 Ų44.216%0.15724%0.24CC..  trans-147.7121.9178.9-173.9-116.8000111P39 L44 K69 L91P39-Y67 HydrophobicContact CG-CD2 4.24Å; L44-Y67 HydrophobicContact CB-CD2 3.99Å; L44-Y67 HydrophobicContact CB-CE2 4.09Å; L44-Y67 HydrophobicContact CD1-CD2 4.32Å; L44-Y67 HydrophobicContact CD1-CG 4.3Å; L44-Y67 HydrophobicContact CD2-CD1 3.95Å; L44-Y67 HydrophobicContact CD2-CD2 3.85Å; L44-Y67 HydrophobicContact CD2-CE1 4.05Å; L44-Y67 HydrophobicContact CD2-CE2 3.98Å; L44-Y67 HydrophobicContact CD2-CG 3.83Å; L44-Y67 HydrophobicContact CG-CD2 4.26Å; L44-Y67 HydrophobicContact CG-CG 4.49Å; Y67-K69 HydrophobicContact CD1-CB 4.3Å; Y67-K69 HydrophobicContact CE1-CB 3.52Å; Y67-K69 HydrophobicContact CE1-CG 4.5Å; Y67-K69 HydrophobicContact CE2-CB 3.87Å; Y67-K69 WeakPolarHBondContact OH-CB 3.44Å; Y67-K69 WeakPolarHBondContact OH-CG 3.29Å; Y67-L91 HydrophobicContact CD1-CD1 4Å; Y67-L91 HydrophobicContact CE1-CD1 4.16Å
68E93Very high93.7Very high15 Ų1540.9 Ų40.97%0.0722%0.218CC..  trans-107.7-3.3-170.759.4179.2138.900115Y35 S38 P39 Y66 I70 D71 V72Y35-E68 WeakPolarHBondContact CE2-OE1 3.39Å; Y35-E68 VanDerWaalsContact OH-CD 3.23Å; Y35-E68 PolarHBondContact OH-OE1 2.9Å; Y35-E68 PolarHBondContact OH-OE2 3.17Å; S38-E68 VanDerWaalsContact CA-OE1 3.31Å; S38-E68 WeakPolarHBondContact CA-OE1 3.5Å; S38-E68 PolarHBondContact N-OE1 2.96Å; P39-E68 WeakPolarHBondContact CD-OE1 3.49Å; P39-E68 HydrophobicContact CG-CG 4.28Å; Y66-E68 HydrophobicContact CE1-CB 3.69Å; Y66-E68 HydrophobicContact CE1-CG 4.29Å; Y66-E68 WeakPolarHBondContact OH-CB 3.5Å; E68-I70 PolarHBondContact O-N 3.28Å; E68-I70 VanDerWaalsContact O-N 3.08Å; E68-D71 WeakPolarHBondContact O-CB 3.28Å; E68-D71 PolarHBondContact O-N 2.9Å; E68-V72 HydrophobicContact CG-CG2 4.19Å; E68-V72 PolarHBondContact O-N 3.18Å
69K92.8Very high93.9Very high55 Ų5540.1 Ų40.124%0.23920%0.202CC..Hα-helixtrans-55.2-38.6-168.2-174.457.3165.3166.30113.3Y67 V72 E73 A87Y67-K69 HydrophobicContact CD1-CB 4.3Å; Y67-K69 HydrophobicContact CE1-CB 3.52Å; Y67-K69 HydrophobicContact CE1-CG 4.5Å; Y67-K69 HydrophobicContact CE2-CB 3.87Å; Y67-K69 WeakPolarHBondContact OH-CB 3.44Å; Y67-K69 WeakPolarHBondContact OH-CG 3.29Å; K69-V72 PolarHBondContact O-N 3.22Å; K69-E73 HydrophobicContact CD-CG 4.35Å; K69-E73 WeakPolarHBondContact CE-OE1 3.42Å; K69-E73 IonicContact NZ-OE1 3.32Å; K69-E73 PolarHBondContact NZ-OE1 3.37Å; K69-E73 WeakPolarHBondContact O-CG 3.18Å; K69-E73 PolarHBondContact O-N 3.29Å; K69-A87 HydrophobicContact CG-CB 4.38Å
70I95.1Very high94Very high53 Ų5342 Ų4227%0.27221%0.213SC..Hα-helixtrans-65.1-39.9179.3-62.9170.7000111.3E68 G74 V84 A87 V88 L91E68-I70 PolarHBondContact O-N 3.28Å; E68-I70 VanDerWaalsContact O-N 3.08Å; I70-G74 PolarHBondContact O-N 2.94Å; I70-V84 HydrophobicContact CG2-CG1 4.39Å; I70-A87 HydrophobicContact CG1-CB 4.2Å; I70-V88 HydrophobicContact CD1-CG2 3.9Å; I70-V88 HydrophobicContact CG1-CG2 4.27Å; I70-V88 HydrophobicContact CG2-CG2 4.41Å; I70-L91 HydrophobicContact CD1-CB 4.44Å; I70-L91 HydrophobicContact CD1-CD2 3.52Å
71D95.6Very high94.2Very high38 Ų3842.7 Ų42.720%0.20322%0.217CC..Hα-helixtrans-65.1-45.8175.5-179.567.7000110.8E68 E73 G74 H75 H119 M121 H232E68-D71 WeakPolarHBondContact O-CB 3.28Å; E68-D71 PolarHBondContact O-N 2.9Å; D71-E73 PolarHBondContact O-N 3.32Å; D71-G74 CarbonylContact O-C 3.59Å; D71-G74 WeakPolarHBondContact O-CA 3.31Å; D71-G74 PolarHBondContact O-N 3.02Å; D71-G74 VanDerWaalsContact O-N 3.08Å; D71-H75 PolarHBondContact O-CD2 3.32Å; D71-H75 VanDerWaalsContact O-CD2 3.24Å; D71-H75 PolarHBondContact O-N 3.29Å; D71-H75 IonicContact OD1-CD2 2.7Å; D71-H75 IonicContact OD1-NE2 3.67Å; D71-H75 PolarHBondContact OD1-NE2 3.04Å; D71-H75 IonicContact OD2-CD2 2.77Å; D71-H75 PolarHBondContact OD2-CD2 2.94Å; D71-H75 IonicContact OD2-NE2 3.77Å; D71-H75 PolarHBondContact OD2-NE2 3.19Å; D71-H119 IonicContact OD1-CE1 3.63Å; D71-H119 PolarHBondContact OD1-CE1 3.11Å; D71-M121 WeakPolarHBondContact OD1-CE 3.48Å; D71-H232 IonicContact OD1-CD2 2.68Å; D71-H232 PolarHBondContact OD1-CD2 2.92Å; D71-H232 IonicContact OD1-NE2 3.55Å
72V93.7Very high94.4Very high24 Ų2445.1 Ų45.115%0.14523%0.23CC..Hα-helixtrans-56.6-48.4176.2173.50000111.7E68 K69 G74 H75 H76E68-V72 HydrophobicContact CG-CG2 4.19Å; E68-V72 PolarHBondContact O-N 3.18Å; K69-V72 PolarHBondContact O-N 3.22Å; V72-G74 VanDerWaalsContact C-N 3.33Å; V72-H75 PolarHBondContact O-N 3.4Å; V72-H76 PolarHBondContact O-N 2.86Å; V72-H76 PolarHBondContact O-ND1 3.15Å
73E94.3Very high94.6Very high23 Ų2347.6 Ų47.611%0.10724%0.241CC..Hα-helixtrans-66.5-36176.6-63.3-52.6145.600111.9K69 D71 H76 F77 Q83 V84 A87K69-E73 HydrophobicContact CD-CG 4.35Å; K69-E73 WeakPolarHBondContact CE-OE1 3.42Å; K69-E73 IonicContact NZ-OE1 3.32Å; K69-E73 PolarHBondContact NZ-OE1 3.37Å; K69-E73 WeakPolarHBondContact O-CG 3.18Å; K69-E73 PolarHBondContact O-N 3.29Å; D71-E73 PolarHBondContact O-N 3.32Å; E73-H76 PolarHBondContact O-N 2.64Å; E73-F77 PolarHBondContact O-N 2.89Å; E73-F77 WeakPolarHBondContact OE2-CD2 3.2Å; E73-F77 WeakPolarHBondContact OE2-CE2 3.15Å; E73-Q83 HydrophobicContact CB-CB 4.43Å; E73-V84 HydrophobicContact CB-CG2 3.99Å; E73-A87 HydrophobicContact CG-CB 4.01Å
74G95.7Very high94.7Very high2 Ų247 Ų472%0.02124%0.235CC..Hα-helixtrans-63.1-43175.400000112.4I70 D71 V72 G78 G230I70-G74 PolarHBondContact O-N 2.94Å; D71-G74 CarbonylContact O-C 3.59Å; D71-G74 WeakPolarHBondContact O-CA 3.31Å; D71-G74 PolarHBondContact O-N 3.02Å; D71-G74 VanDerWaalsContact O-N 3.08Å; V72-G74 VanDerWaalsContact C-N 3.33Å; G74-G78 CarbonylContact O-C 3.35Å; G74-G78 WeakPolarHBondContact O-CA 3.18Å; G74-G78 PolarHBondContact O-N 2.72Å; G74-G230 VanDerWaalsContact O-CA 3.31Å; G74-G230 WeakPolarHBondContact O-CA 3.45Å; G74-G230 PolarHBondContact O-N 3.04Å
75H93.9Very high94.9Very high18 Ų1852.6 Ų52.68%0.08326%0.257CS..Hα-helixtrans-63.4-48.2172.1-80.7-65.7000111.5D71 V72 Q228 N229 G230 W231 H232D71-H75 PolarHBondContact O-CD2 3.32Å; D71-H75 VanDerWaalsContact O-CD2 3.24Å; D71-H75 PolarHBondContact O-N 3.29Å; D71-H75 IonicContact OD1-CD2 2.7Å; D71-H75 IonicContact OD1-NE2 3.67Å; D71-H75 PolarHBondContact OD1-NE2 3.04Å; D71-H75 IonicContact OD2-CD2 2.77Å; D71-H75 PolarHBondContact OD2-CD2 2.94Å; D71-H75 IonicContact OD2-NE2 3.77Å; D71-H75 PolarHBondContact OD2-NE2 3.19Å; V72-H75 PolarHBondContact O-N 3.4Å; H75-Q228 HydrophobicContact CB-CG 4.42Å; H75-Q228 CarbonylContact O-C 3.59Å; H75-Q228 WeakPolarHBondContact O-CA 3.27Å; H75-Q228 WeakPolarHBondContact O-CB 3.24Å; H75-N229 PolarHBondContact O-N 3.29Å; H75-G230 PolarHBondContact ND1-O 3.39Å; H75-G230 VanDerWaalsContact ND1-O 3.15Å; H75-G230 PolarHBondContact O-N 3.1Å; H75-W231 AromaticContact CE1-CD2 3.75Å; H75-W231 AromaticContact CE1-CE3 3.33Å; H75-W231 AromaticContact CE1-CZ3 3.49Å; H75-W231 VanDerWaalsContact CE1-CZ3 3.49Å; H75-W231 WeakPolarHBondContact CE1-CZ3 3.36Å; H75-W231 AromaticContact ND1-CD2 3.9Å; H75-W231 AromaticContact ND1-CE3 3.07Å; H75-W231 AromaticContact ND1-CZ3 3.28Å; H75-W231 VanDerWaalsContact ND1-CZ3 3.28Å; H75-W231 WeakPolarHBondContact ND1-CZ3 3.33Å; H75-H232 AromaticContact CE1-CD2 3.35Å; H75-H232 PolarHBondContact CE1-CD2 2.71Å; H75-H232 AromaticContact CE1-NE2 3.44Å; H75-H232 PolarHBondContact CE1-NE2 3.4Å; H75-H232 AromaticContact NE2-CD2 3.2Å; H75-H232 PolarHBondContact NE2-CD2 3.49Å; H75-H232 AromaticContact NE2-NE2 3.04Å; H75-H232 PolarHBondContact NE2-NE2 2.96Å
76H91.1Very high95Very high65 Ų6552.6 Ų52.630%0.30126%0.257SS..Hα-helixtrans-69.6-42.8-175.7-71.2151.2000113.6V72 E73 W227 N229V72-H76 PolarHBondContact O-N 2.86Å; V72-H76 PolarHBondContact O-ND1 3.15Å; E73-H76 PolarHBondContact O-N 2.64Å; H76-W227 AromaticContact CD2-CD1 3.85Å; H76-W227 AromaticContact CD2-NE1 3.84Å; H76-W227 AromaticContact NE2-NE1 3.63Å; H76-N229 PolarHBondContact O-ND2 2.96Å
77F92.2Very high95.1Very high95 Ų9550.5 Ų50.542%0.41725%0.25SS..Hα-helixtrans-118.9-11.5-167.6-59.5-75.2000114E73 S81 Q83 N229E73-F77 PolarHBondContact O-N 2.89Å; E73-F77 WeakPolarHBondContact OE2-CD2 3.2Å; E73-F77 WeakPolarHBondContact OE2-CE2 3.15Å; F77-S81 WeakPolarHBondContact CB-OG 3.25Å; F77-S81 WeakPolarHBondContact O-CB 3.49Å; F77-Q83 HydrophobicContact CB-CB 4.13Å; F77-Q83 HydrophobicContact CB-CG 4.31Å; F77-Q83 HydrophobicContact CD1-CG 4.05Å; F77-Q83 HydrophobicContact CD2-CB 3.5Å; F77-Q83 HydrophobicContact CD2-CG 3.49Å; F77-Q83 VanDerWaalsContact CD2-CG 3.49Å; F77-Q83 HydrophobicContact CE1-CG 4.23Å; F77-Q83 HydrophobicContact CE2-CB 4.09Å; F77-Q83 HydrophobicContact CE2-CG 3.71Å; F77-Q83 HydrophobicContact CG-CB 3.87Å; F77-Q83 HydrophobicContact CG-CG 3.67Å; F77-Q83 HydrophobicContact CZ-CG 4.07Å; F77-N229 VanDerWaalsContact C-CB 3.45Å
78G94.6Very high95.2Very high3 Ų352 Ų523%0.03126%0.263CS..  trans91.2158-177.400000112.6G74 E80 S81 V84G74-G78 CarbonylContact O-C 3.35Å; G74-G78 WeakPolarHBondContact O-CA 3.18Å; G74-G78 PolarHBondContact O-N 2.72Å; G78-E80 VanDerWaalsContact C-N 3.28Å; G78-E80 PolarHBondContact O-N 3.3Å; G78-S81 VanDerWaalsContact O-CB 3.26Å; G78-S81 WeakPolarHBondContact O-CB 3.41Å; G78-S81 PolarHBondContact O-N 3.47Å; G78-S81 PolarHBondContact O-OG 3.01Å; G78-V84 WeakPolarHBondContact O-CG2 3.49Å
79P95.9Very high95.5Very high42 Ų4256.1 Ų56.127%0.27328%0.282SS..THydrogen-bonded Turntrans-65.5-25.7-169.824.5-34.4000114.5M121 K123P79-M121 HydrophobicContact CB-CB 4.17Å; P79-M121 HydrophobicContact CB-CG 3.98Å; P79-M121 HydrophobicContact CG-CG 4.31Å; P79-K123 HydrophobicContact CG-CB 4.11Å
80E95.8Very high95.6Very high175 Ų17556.7 Ų56.782%0.81829%0.285SS*.THydrogen-bonded Turntrans-96.711.4-178.6-59.8-177.215000113.2G78G78-E80 VanDerWaalsContact C-N 3.28Å; G78-E80 PolarHBondContact O-N 3.3Å
81S96.8Very high95.6Very high18 Ų1855.7 Ų55.713%0.12628%0.281CS..SBendtrans-76.2157.9-174.7670000113.4F77 G78 Q83 V84 K85F77-S81 WeakPolarHBondContact CB-OG 3.25Å; F77-S81 WeakPolarHBondContact O-CB 3.49Å; G78-S81 VanDerWaalsContact O-CB 3.26Å; G78-S81 WeakPolarHBondContact O-CB 3.41Å; G78-S81 PolarHBondContact O-N 3.47Å; G78-S81 PolarHBondContact O-OG 3.01Å; S81-Q83 PolarHBondContact O-N 2.83Å; S81-V84 PolarHBondContact O-N 3.28Å; S81-V84 WeakPolarHBondContact OG-CG2 3.37Å; S81-V84 PolarHBondContact OG-N 3.49Å; S81-K85 PolarHBondContact O-N 2.87Å; S81-K85 VanDerWaalsContact O-N 3.16Å
82L97.8Very high95.6Very high121 Ų12158.2 Ų58.263%0.63429%0.294SS*.Hα-helixtrans-62.6-32.2172.3-17659.5000111.3K85 T86L82-K85 HydrophobicContact CD1-CD 4.31Å; L82-K85 WeakPolarHBondContact O-CB 3.29Å; L82-K85 PolarHBondContact O-N 2.92Å; L82-T86 PolarHBondContact O-N 3.07Å; L82-T86 PolarHBondContact O-OG1 3.17Å
83Q96.9Very high95.7Very high75 Ų7561.4 Ų61.435%0.3531%0.31SS..Hα-helixtrans-66-45.9-179.7-67.385.3-23.100111.6E73 F77 S81 K85 T86 A87E73-Q83 HydrophobicContact CB-CB 4.43Å; F77-Q83 HydrophobicContact CB-CB 4.13Å; F77-Q83 HydrophobicContact CB-CG 4.31Å; F77-Q83 HydrophobicContact CD1-CG 4.05Å; F77-Q83 HydrophobicContact CD2-CB 3.5Å; F77-Q83 HydrophobicContact CD2-CG 3.49Å; F77-Q83 VanDerWaalsContact CD2-CG 3.49Å; F77-Q83 HydrophobicContact CE1-CG 4.23Å; F77-Q83 HydrophobicContact CE2-CB 4.09Å; F77-Q83 HydrophobicContact CE2-CG 3.71Å; F77-Q83 HydrophobicContact CG-CB 3.87Å; F77-Q83 HydrophobicContact CG-CG 3.67Å; F77-Q83 HydrophobicContact CZ-CG 4.07Å; S81-Q83 PolarHBondContact O-N 2.83Å; Q83-K85 VanDerWaalsContact C-N 3.31Å; Q83-K85 PolarHBondContact O-N 2.96Å; Q83-T86 PolarHBondContact O-N 3.21Å; Q83-A87 WeakPolarHBondContact O-CB 3.34Å; Q83-A87 PolarHBondContact O-N 3.38Å
84V97.1Very high95.6Very high18 Ų1860.6 Ų60.611%0.10931%0.306CS..Hα-helixtrans-60.2-44.4171.8169.60000110.4I70 E73 G78 S81 T86 A87 V88I70-V84 HydrophobicContact CG2-CG1 4.39Å; E73-V84 HydrophobicContact CB-CG2 3.99Å; G78-V84 WeakPolarHBondContact O-CG2 3.49Å; S81-V84 PolarHBondContact O-N 3.28Å; S81-V84 WeakPolarHBondContact OG-CG2 3.37Å; S81-V84 PolarHBondContact OG-N 3.49Å; V84-T86 PolarHBondContact O-N 3.07Å; V84-A87 PolarHBondContact O-N 3.26Å; V84-V88 HydrophobicContact CG1-CG2 4.49Å; V84-V88 WeakPolarHBondContact O-CG2 2.91Å; V84-V88 PolarHBondContact O-N 2.78Å
85K98Very high95.6Very high127 Ų12762.1 Ų62.155%0.55231%0.313SS*.Hα-helixtrans-58.2-46.1176.4-176.1179.9179.2-179.20112.1S81 L82 Q83 V88 Q89S81-K85 PolarHBondContact O-N 2.87Å; S81-K85 VanDerWaalsContact O-N 3.16Å; L82-K85 HydrophobicContact CD1-CD 4.31Å; L82-K85 WeakPolarHBondContact O-CB 3.29Å; L82-K85 PolarHBondContact O-N 2.92Å; Q83-K85 VanDerWaalsContact C-N 3.31Å; Q83-K85 PolarHBondContact O-N 2.96Å; K85-V88 PolarHBondContact O-N 2.96Å; K85-Q89 WeakPolarHBondContact O-CG 3.32Å; K85-Q89 PolarHBondContact O-N 3.14Å
86T97.6Very high95.7Very high49 Ų4966.3 Ų66.330%0.30133%0.333SS..Hα-helixtrans-63.7-44.1177.4-60.60000111.5L82 Q83 V84 V88 Q89 H90L82-T86 PolarHBondContact O-N 3.07Å; L82-T86 PolarHBondContact O-OG1 3.17Å; Q83-T86 PolarHBondContact O-N 3.21Å; V84-T86 PolarHBondContact O-N 3.07Å; T86-V88 VanDerWaalsContact C-N 3.31Å; T86-V88 PolarHBondContact O-N 2.79Å; T86-Q89 WeakPolarHBondContact O-CB 3.13Å; T86-Q89 PolarHBondContact O-N 3.39Å; T86-Q89 VanDerWaalsContact O-N 3.1Å; T86-H90 PolarHBondContact O-N 3.44Å
87A95.7Very high95.8Very high5 Ų566.5 Ų66.54%0.04134%0.335CS..Hα-helixtrans-60.7-39.8177.200000112.2K69 I70 E73 Q83 V84 H90 L91K69-A87 HydrophobicContact CG-CB 4.38Å; I70-A87 HydrophobicContact CG1-CB 4.2Å; E73-A87 HydrophobicContact CG-CB 4.01Å; Q83-A87 WeakPolarHBondContact O-CB 3.34Å; Q83-A87 PolarHBondContact O-N 3.38Å; V84-A87 PolarHBondContact O-N 3.26Å; A87-H90 PolarHBondContact O-N 3.3Å; A87-L91 PolarHBondContact O-N 2.88Å
88V96.8Very high95.9Very high70 Ų7062.9 Ų62.942%0.42432%0.32SS..Hα-helixtrans-64.5-40.2173.6172.80000111.4I70 V84 K85 T86 H90 L91 D92I70-V88 HydrophobicContact CD1-CG2 3.9Å; I70-V88 HydrophobicContact CG1-CG2 4.27Å; I70-V88 HydrophobicContact CG2-CG2 4.41Å; V84-V88 HydrophobicContact CG1-CG2 4.49Å; V84-V88 WeakPolarHBondContact O-CG2 2.91Å; V84-V88 PolarHBondContact O-N 2.78Å; K85-V88 PolarHBondContact O-N 2.96Å; T86-V88 VanDerWaalsContact C-N 3.31Å; T86-V88 PolarHBondContact O-N 2.79Å; V88-H90 PolarHBondContact O-N 2.92Å; V88-L91 PolarHBondContact O-N 3.48Å; V88-D92 PolarHBondContact O-N 3.13Å
89Q97.4Very high96Very high102 Ų10266.8 Ų66.848%0.47734%0.341SS..Hα-helixtrans-63-40.6175.9-71.9173.8-38.600112.1K85 T86 D92 L93K85-Q89 WeakPolarHBondContact O-CG 3.32Å; K85-Q89 PolarHBondContact O-N 3.14Å; T86-Q89 WeakPolarHBondContact O-CB 3.13Å; T86-Q89 PolarHBondContact O-N 3.39Å; T86-Q89 VanDerWaalsContact O-N 3.1Å; Q89-D92 PolarHBondContact O-N 2.98Å; Q89-L93 WeakPolarHBondContact O-CG 3.2Å; Q89-L93 PolarHBondContact O-N 3.43Å
90H94.8Very high95.9Very high67 Ų6769.6 Ų69.631%0.3135%0.35SS..Hα-helixtrans-68.9-37.2176.4-65.6-176.8000112.4E41 T86 A87 V88 D92 L93 T94E41-H90 WeakPolarHBondContact OE1-CB 3.21Å; E41-H90 IonicContact OE1-CE1 2.63Å; E41-H90 IonicContact OE1-CG 3.44Å; E41-H90 IonicContact OE1-ND1 3.2Å; E41-H90 PolarHBondContact OE1-ND1 2.79Å; E41-H90 IonicContact OE2-CG 3.36Å; E41-H90 IonicContact OE2-ND1 3.52Å; T86-H90 PolarHBondContact O-N 3.44Å; A87-H90 PolarHBondContact O-N 3.3Å; V88-H90 PolarHBondContact O-N 2.92Å; H90-D92 VanDerWaalsContact C-N 3.34Å; H90-L93 PolarHBondContact O-N 3.07Å; H90-T94 PolarHBondContact O-N 3.02Å; H90-T94 PolarHBondContact O-OG1 3.32Å
91L95.3Very high95.8Very high33 Ų3364.4 Ų64.417%0.17333%0.325CS..Hα-helixtrans-61.1-44.5171.6-17962.9000111L44 Y67 I70 A87 V88 L93 T94 M95L44-L91 HydrophobicContact CD2-CD1 3.74Å; Y67-L91 HydrophobicContact CD1-CD1 4Å; Y67-L91 HydrophobicContact CE1-CD1 4.16Å; I70-L91 HydrophobicContact CD1-CB 4.44Å; I70-L91 HydrophobicContact CD1-CD2 3.52Å; A87-L91 PolarHBondContact O-N 2.88Å; V88-L91 PolarHBondContact O-N 3.48Å; L91-L93 PolarHBondContact O-N 3.31Å; L91-T94 CarbonylContact O-C 3.6Å; L91-T94 WeakPolarHBondContact O-CA 3.34Å; L91-T94 WeakPolarHBondContact O-CB 3.45Å; L91-T94 PolarHBondContact O-N 3.41Å; L91-T94 VanDerWaalsContact O-N 3.09Å; L91-M95 HydrophobicContact CD1-CE 3.79Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 3.44Å
92D96.2Very high95.8Very high90 Ų9064.1 Ų64.148%0.48132%0.322SS..Hα-helixtrans-58.4-45.9176.7-17778.1000111.9V88 Q89 H90 T94 M95 Q96V88-D92 PolarHBondContact O-N 3.13Å; Q89-D92 PolarHBondContact O-N 2.98Å; H90-D92 VanDerWaalsContact C-N 3.34Å; D92-T94 VanDerWaalsContact C-N 3.27Å; D92-T94 PolarHBondContact O-N 3.45Å; D92-M95 WeakPolarHBondContact O-CB 3.12Å; D92-M95 PolarHBondContact O-N 2.71Å; D92-M95 VanDerWaalsContact O-N 3.07Å; D92-Q96 WeakPolarHBondContact O-CG 3.07Å; D92-Q96 PolarHBondContact O-N 3.26Å; D92-Q96 PolarHBondContact OD2-NE2 2.9Å
93L95.1Very high95.7Very high92 Ų9263.1 Ų63.148%0.48231%0.312SS..Hα-helixtrans-57.8-40.8173.7-68.7173.2000111.9Q89 H90 L91 M95 Q96 I97Q89-L93 WeakPolarHBondContact O-CG 3.2Å; Q89-L93 PolarHBondContact O-N 3.43Å; H90-L93 PolarHBondContact O-N 3.07Å; L91-L93 PolarHBondContact O-N 3.31Å; L93-M95 VanDerWaalsContact C-N 3.34Å; L93-M95 PolarHBondContact O-N 2.88Å; L93-Q96 WeakPolarHBondContact O-CB 3.24Å; L93-Q96 PolarHBondContact O-N 2.82Å; L93-I97 WeakPolarHBondContact O-CG1 3.14Å; L93-I97 PolarHBondContact O-N 2.76Å; L93-I97 VanDerWaalsContact O-N 3.12Å
94T94.1Very high95.5Very high5 Ų564.9 Ų64.93%0.03132%0.324CS..Hα-helixtrans-66.7-36.1176.6-56.10000111.9L44 I45 I48 H90 L91 D92 Q96 I97 L98L44-T94 HydrophobicContact CD2-CG2 3.7Å; L44-T94 HydrophobicContact CG-CG2 3.84Å; I45-T94 HydrophobicContact CG1-CG2 3.75Å; I48-T94 HydrophobicContact CD1-CG2 3.76Å; H90-T94 PolarHBondContact O-N 3.02Å; H90-T94 PolarHBondContact O-OG1 3.32Å; L91-T94 CarbonylContact O-C 3.6Å; L91-T94 WeakPolarHBondContact O-CA 3.34Å; L91-T94 WeakPolarHBondContact O-CB 3.45Å; L91-T94 PolarHBondContact O-N 3.41Å; L91-T94 VanDerWaalsContact O-N 3.09Å; D92-T94 VanDerWaalsContact C-N 3.27Å; D92-T94 PolarHBondContact O-N 3.45Å; T94-Q96 VanDerWaalsContact C-N 3.33Å; T94-I97 WeakPolarHBondContact O-CB 3.44Å; T94-I97 PolarHBondContact O-N 2.05Å; T94-L98 PolarHBondContact O-N 2.88Å
95M95.4Very high95.2Very high34 Ų3466.2 Ų66.217%0.16733%0.334CS..Hα-helixtrans-69-31.1174.2-66-54.4106.100112.4I48 L91 D92 L93 L98 N99 L115I48-M95 HydrophobicContact CD1-CE 3.75Å; L91-M95 HydrophobicContact CD1-CE 3.79Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 3.44Å; D92-M95 WeakPolarHBondContact O-CB 3.12Å; D92-M95 PolarHBondContact O-N 2.71Å; D92-M95 VanDerWaalsContact O-N 3.07Å; L93-M95 VanDerWaalsContact C-N 3.34Å; L93-M95 PolarHBondContact O-N 2.88Å; M95-L98 WeakPolarHBondContact O-CB 3.45Å; M95-L98 PolarHBondContact O-N 2.61Å; M95-L98 HydrophobicContact SD-CD2 3.9Å; M95-N99 WeakPolarHBondContact O-CB 3.44Å; M95-N99 PolarHBondContact O-N 3.19Å; M95-L115 HydrophobicContact CG-CD2 4.2Å; M95-L115 HydrophobicContact SD-CD2 3.55Å; M95-L115 VanDerWaalsContact SD-CD2 3.55Å
96Q95.6Very high94.9Very high106 Ų10666.1 Ų66.150%0.49534%0.34SS..Hα-helixtrans-64.5-40.7170.2-64.6174.536.100111.3D92 L93 T94 N99 Q100D92-Q96 WeakPolarHBondContact O-CG 3.07Å; D92-Q96 PolarHBondContact O-N 3.26Å; D92-Q96 PolarHBondContact OD2-NE2 2.9Å; L93-Q96 WeakPolarHBondContact O-CB 3.24Å; L93-Q96 PolarHBondContact O-N 2.82Å; T94-Q96 VanDerWaalsContact C-N 3.33Å; Q96-N99 PolarHBondContact O-N 2.95Å; Q96-Q100 PolarHBondContact O-N 3.31Å
97I93.3Very high94.7Very high69 Ų6964.5 Ų64.535%0.35433%0.329SS..Hα-helixtrans-62.8-45174-64.8167.6000111I45 L93 T94 N99 Q100 K101I45-I97 HydrophobicContact CD1-CD1 4.12Å; I45-I97 HydrophobicContact CG1-CD1 4.5Å; L93-I97 WeakPolarHBondContact O-CG1 3.14Å; L93-I97 PolarHBondContact O-N 2.76Å; L93-I97 VanDerWaalsContact O-N 3.12Å; T94-I97 WeakPolarHBondContact O-CB 3.44Å; T94-I97 PolarHBondContact O-N 2.05Å; I97-N99 VanDerWaalsContact C-N 3.35Å; I97-N99 PolarHBondContact O-N 3.14Å; I97-Q100 PolarHBondContact O-N 3.02Å; I97-K101 HydrophobicContact CG2-CD 4.09Å; I97-K101 HydrophobicContact CG2-CG 4.46Å; I97-K101 WeakPolarHBondContact O-CG 3.34Å; I97-K101 PolarHBondContact O-N 3.06Å
98L94.5Very high94.6Very high19 Ų1968.9 Ų68.910%0.09935%0.349CS..Hα-helixtrans-54.3-52.6174.117066.5000110.6I48 L52 T94 M95 Q100 K101 I102 V113I48-L98 HydrophobicContact CG2-CB 4.07Å; I48-L98 HydrophobicContact CG2-CD1 3.43Å; I48-L98 VanDerWaalsContact CG2-CD1 3.43Å; I48-L98 HydrophobicContact CG2-CG 4.31Å; L52-L98 HydrophobicContact CD1-CD1 3.99Å; L52-L98 HydrophobicContact CD2-CD1 4.28Å; L52-L98 HydrophobicContact CG-CD1 4.29Å; T94-L98 PolarHBondContact O-N 2.88Å; M95-L98 WeakPolarHBondContact O-CB 3.45Å; M95-L98 PolarHBondContact O-N 2.61Å; M95-L98 HydrophobicContact SD-CD2 3.9Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.18Å; L98-K101 PolarHBondContact O-N 3.38Å; L98-I102 HydrophobicContact CD1-CD1 3.88Å; L98-I102 HydrophobicContact CD1-CG1 4.2Å; L98-I102 HydrophobicContact CG-CD1 3.9Å; L98-I102 WeakPolarHBondContact O-CG1 3.47Å; L98-I102 PolarHBondContact O-N 3.09Å; L98-V113 HydrophobicContact CD2-CG1 4.35Å
99N95.4Very high94.4Very high85 Ų8571.9 Ų71.946%0.45536%0.362SS..Hα-helixtrans-56.7-47.1179.7-80.7-15.8000111.5M95 Q96 I97 K101 I102 K103M95-N99 WeakPolarHBondContact O-CB 3.44Å; M95-N99 PolarHBondContact O-N 3.19Å; Q96-N99 PolarHBondContact O-N 2.95Å; I97-N99 VanDerWaalsContact C-N 3.35Å; I97-N99 PolarHBondContact O-N 3.14Å; N99-K101 PolarHBondContact O-N 3.14Å; N99-I102 PolarHBondContact O-N 2.9Å; N99-K103 VanDerWaalsContact O-CG 3.24Å; N99-K103 WeakPolarHBondContact O-CG 3.32Å; N99-K103 PolarHBondContact O-N 2.97Å
100Q95.4Very high94.2Very high102 Ų10273.8 Ų73.848%0.47737%0.371SS..Hα-helixtrans-60.3-45.8178.5-172.75950.100111.7Q96 I97 L98 I102 K103 D104Q96-Q100 PolarHBondContact O-N 3.31Å; I97-Q100 PolarHBondContact O-N 3.02Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.18Å; Q100-I102 VanDerWaalsContact C-N 3.31Å; Q100-I102 PolarHBondContact O-N 2.74Å; Q100-K103 WeakPolarHBondContact O-CB 3.19Å; Q100-K103 PolarHBondContact O-N 2.78Å; Q100-K103 VanDerWaalsContact O-N 3.07Å; Q100-D104 PolarHBondContact NE2-OD1 3.23Å; Q100-D104 VanDerWaalsContact O-CG 3.24Å; Q100-D104 PolarHBondContact O-N 3.33Å
101K93.8Very high94.3Very high65 Ų6572 Ų7228%0.28336%0.364SS..Hα-helixtrans-63.2-35.3178.7-73.8178.8175.4-70.40113.1T49 L52 I97 L98 N99 K103 D104 S105T49-K101 HydrophobicContact CG2-CD 4.41Å; T49-K101 WeakPolarHBondContact OG1-CE 3.31Å; L52-K101 HydrophobicContact CD1-CB 3.49Å; L52-K101 VanDerWaalsContact CD1-CB 3.49Å; L52-K101 HydrophobicContact CD1-CD 4.41Å; I97-K101 HydrophobicContact CG2-CD 4.09Å; I97-K101 HydrophobicContact CG2-CG 4.46Å; I97-K101 WeakPolarHBondContact O-CG 3.34Å; I97-K101 PolarHBondContact O-N 3.06Å; L98-K101 PolarHBondContact O-N 3.38Å; N99-K101 PolarHBondContact O-N 3.14Å; K101-K103 VanDerWaalsContact C-N 3.31Å; K101-D104 PolarHBondContact O-N 3.25Å; K101-S105 VanDerWaalsContact O-CB 3.31Å; K101-S105 WeakPolarHBondContact O-CB 3.44Å; K101-S105 PolarHBondContact O-N 3.2Å; K101-S105 PolarHBondContact O-OG 3.38Å
102I95.8Very high94.4Very high12 Ų1272.1 Ų72.16%0.06237%0.365CS..Hα-helixtrans-60.6-43.2173.2-70.3169.2000110.2L52 L98 N99 Q100 S105 N106 L107 E108 L111 V113L52-I102 HydrophobicContact CD1-CG1 4.17Å; L52-I102 HydrophobicContact CD2-CG1 3.77Å; L98-I102 HydrophobicContact CD1-CD1 3.88Å; L98-I102 HydrophobicContact CD1-CG1 4.2Å; L98-I102 HydrophobicContact CG-CD1 3.9Å; L98-I102 WeakPolarHBondContact O-CG1 3.47Å; L98-I102 PolarHBondContact O-N 3.09Å; N99-I102 PolarHBondContact O-N 2.9Å; Q100-I102 VanDerWaalsContact C-N 3.31Å; Q100-I102 PolarHBondContact O-N 2.74Å; I102-S105 PolarHBondContact O-N 2.97Å; I102-N106 PolarHBondContact O-N 3.41Å; I102-L107 HydrophobicContact CG2-CB 3.96Å; I102-L107 PolarHBondContact O-N 3.47Å; I102-E108 HydrophobicContact CG2-CB 4.49Å; I102-E108 HydrophobicContact CG2-CG 3.95Å; I102-L111 HydrophobicContact CD1-CD2 3.87Å; I102-L111 HydrophobicContact CG1-CD2 3.9Å; I102-V113 HydrophobicContact CD1-CG2 3.97Å
103K94.7Very high94.5Very high101 Ų10169.1 Ų69.144%0.43935%0.35SS..Hα-helixtrans-65.6-49.1176.7-45.2-157.41771700112N99 Q100 K101 S105 N106 E108N99-K103 VanDerWaalsContact O-CG 3.24Å; N99-K103 WeakPolarHBondContact O-CG 3.32Å; N99-K103 PolarHBondContact O-N 2.97Å; Q100-K103 WeakPolarHBondContact O-CB 3.19Å; Q100-K103 PolarHBondContact O-N 2.78Å; Q100-K103 VanDerWaalsContact O-N 3.07Å; K101-K103 VanDerWaalsContact C-N 3.31Å; K103-S105 PolarHBondContact O-N 2.81Å; K103-S105 VanDerWaalsContact O-N 3.13Å; K103-N106 PolarHBondContact O-N 2.94Å; K103-E108 HydrophobicContact CB-CG 4.24Å; K103-E108 WeakPolarHBondContact CD-OE1 2.99Å; K103-E108 WeakPolarHBondContact CE-OE1 3.21Å; K103-E108 HydrophobicContact CG-CG 3.86Å; K103-E108 WeakPolarHBondContact CG-OE1 3.3Å
104D93.3Very high94.6Very high111 Ų11166.6 Ų66.659%0.59434%0.336SS*.Hα-helixtrans-60.2-28-179.1-62.2-16.5000111.8Q100 K101Q100-D104 PolarHBondContact NE2-OD1 3.23Å; Q100-D104 VanDerWaalsContact O-CG 3.24Å; Q100-D104 PolarHBondContact O-N 3.33Å; K101-D104 PolarHBondContact O-N 3.25Å
105S91.4Very high94.7Very high47 Ų4768.7 Ų68.733%0.32935%0.347SS..THydrogen-bonded Turntrans-91.94.1177.2-48.50000113.8K101 I102 K103 L107K101-S105 VanDerWaalsContact O-CB 3.31Å; K101-S105 WeakPolarHBondContact O-CB 3.44Å; K101-S105 PolarHBondContact O-N 3.2Å; K101-S105 PolarHBondContact O-OG 3.38Å; I102-S105 PolarHBondContact O-N 2.97Å; K103-S105 PolarHBondContact O-N 2.81Å; K103-S105 VanDerWaalsContact O-N 3.13Å; S105-L107 PolarHBondContact O-N 2.97Å
106N91.9Very high94.8Very high124 Ų12470 Ų7066%0.66335%0.351SS*.THydrogen-bonded Turntrans5532.1-176-59.4-67.7000114.4I102 K103 Q110I102-N106 PolarHBondContact O-N 3.41Å; K103-N106 PolarHBondContact O-N 2.94Å; N106-Q110 PolarHBondContact O-NE2 3.48Å
107L93.8Very high94.8Very high15 Ų1566.4 Ų66.48%0.07934%0.338CS..  trans-93.8-3.3-177.7-69.4177.9000113.7L52 I102 S105 N109 Q110 L111L52-L107 HydrophobicContact CD2-CD1 4.16Å; I102-L107 HydrophobicContact CG2-CB 3.96Å; I102-L107 PolarHBondContact O-N 3.47Å; S105-L107 PolarHBondContact O-N 2.97Å; L107-N109 PolarHBondContact O-N 3.31Å; L107-N109 VanDerWaalsContact O-N 3.07Å; L107-Q110 HydrophobicContact CD2-CB 4.47Å; L107-Q110 PolarHBondContact O-N 2.97Å; L107-L111 HydrophobicContact CB-CB 4.13Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 PolarHBondContact O-N 3.36Å
108E92.8Very high94.9Very high97 Ų9768 Ų6845%0.45335%0.348SS..THydrogen-bonded Turntrans-54.5-33.3-172.8-69.4-179.3100.100114.6I102 K103I102-E108 HydrophobicContact CG2-CB 4.49Å; I102-E108 HydrophobicContact CG2-CG 3.95Å; K103-E108 HydrophobicContact CB-CG 4.24Å; K103-E108 WeakPolarHBondContact CD-OE1 2.99Å; K103-E108 WeakPolarHBondContact CE-OE1 3.21Å; K103-E108 HydrophobicContact CG-CG 3.86Å; K103-E108 WeakPolarHBondContact CG-OE1 3.3Å
109N93Very high95Very high133 Ų13369.3 Ų69.371%0.71135%0.353SS*.THydrogen-bonded Turntrans-104.79.1-179.6-60.5-49.8000113.2L107L107-N109 PolarHBondContact O-N 3.31Å; L107-N109 VanDerWaalsContact O-N 3.07Å
110Q93.4Very high95.1Very high142 Ų14266 Ų6666%0.66434%0.34SS*.THydrogen-bonded Turntrans-125.4-22.6-174-61.4-176.674.800112.4N106 L107N106-Q110 PolarHBondContact O-NE2 3.48Å; L107-Q110 HydrophobicContact CD2-CB 4.47Å; L107-Q110 PolarHBondContact O-N 2.97Å
111L96.2Very high95.2Very high29 Ų2962.5 Ų62.515%0.15232%0.323CS..  trans-106.4127.9-174.6-177.764.7000111.7L52 L55 I102 L107 V113 G249 P250L52-L111 HydrophobicContact CD2-CD2 3.62Å; L55-L111 HydrophobicContact CD1-CD1 3.86Å; I102-L111 HydrophobicContact CD1-CD2 3.87Å; I102-L111 HydrophobicContact CG1-CD2 3.9Å; L107-L111 HydrophobicContact CB-CB 4.13Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 PolarHBondContact O-N 3.36Å; L111-V113 HydrophobicContact CD2-CG2 3.9Å; L111-V113 HydrophobicContact CG-CG2 3.92Å; L111-G249 WeakPolarHBondContact O-CA 3.48Å; L111-P250 WeakPolarHBondContact O-CD 3.39Å
112N97.5Very high95.4Very high37 Ų3759.7 Ų59.720%0.19831%0.312CS..  trans-91.7133163.3-66.2-57000109.9G249 P250 D251 F252 T273N112-G249 WeakPolarHBondContact OD1-CA 3.1Å; N112-P250 VanDerWaalsContact OD1-CD 3.3Å; N112-P250 WeakPolarHBondContact OD1-CD 3.37Å; N112-D251 PolarHBondContact ND2-OD2 2.89Å; N112-D251 WeakPolarHBondContact OD1-CB 3.37Å; N112-D251 PolarHBondContact OD1-N 2.94Å; N112-F252 HydrophobicContact CB-CE2 4.15Å; N112-T273 HydrophobicContact CB-CG2 4.49Å
113V97.4Very high95.3Very high27 Ų2764.7 Ų64.716%0.16433%0.333CS..EExtended strand (participates in β ladder)trans-122.9123.5176.7-167.80000108.3L98 I102 L111 L115 A247 V248L98-V113 HydrophobicContact CD2-CG1 4.35Å; I102-V113 HydrophobicContact CD1-CG2 3.97Å; L111-V113 HydrophobicContact CD2-CG2 3.9Å; L111-V113 HydrophobicContact CG-CG2 3.92Å; V113-L115 HydrophobicContact CB-CD1 4.48Å; V113-L115 HydrophobicContact CG1-CD1 3.55Å; V113-A247 CarbonylContact O-C 3.55Å; V113-A247 VanDerWaalsContact O-CA 3.29Å; V113-A247 WeakPolarHBondContact O-CA 3.35Å; V113-V248 HydrophobicContact CB-CG1 3.98Å; V113-V248 HydrophobicContact CG2-CG1 4.47Å; V113-V248 PolarHBondContact N-O 2.97Å; V113-V248 PolarHBondContact O-N 3.21Å
114M97.6Very high95.1Very high38 Ų3860.1 Ų60.119%0.18731%0.313CS..EExtended strand (participates in β ladder)trans-115.6128.7172.3-55.5-172.7-146.700109.1F245 L246 A247 F252 L269 M270 T273M114-F245 HydrophobicContact CB-CE2 4.44Å; M114-F245 HydrophobicContact SD-CE2 4.42Å; M114-F245 HydrophobicContact SD-CZ 4.34Å; M114-L246 CarbonylContact C-O 3.46Å; M114-L246 WeakPolarHBondContact CA-O 3.2Å; M114-A247 HydrophobicContact CG-CB 4.2Å; M114-F252 HydrophobicContact CE-CE2 3.91Å; M114-F252 HydrophobicContact CE-CZ 3.52Å; M114-F252 HydrophobicContact CG-CE2 4.09Å; M114-F252 HydrophobicContact CG-CZ 3.97Å; M114-F252 HydrophobicContact SD-CE2 4.49Å; M114-F252 HydrophobicContact SD-CZ 3.88Å; M114-L269 HydrophobicContact CE-CB 4.13Å; M114-L269 HydrophobicContact SD-CB 4.08Å; M114-M270 HydrophobicContact CE-CG 4.22Å; M114-M270 HydrophobicContact SD-CG 4.14Å; M114-T273 HydrophobicContact CE-CG2 3.7Å; M114-T273 VanDerWaalsContact CE-OG1 3.25Å; M114-T273 WeakPolarHBondContact CE-OG1 3.09Å
115L97Very high94.6Very high49 Ų4958.4 Ų58.426%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-120128.4175.5-65.879.1000108.2M95 V113 F244 F245 L246M95-L115 HydrophobicContact CG-CD2 4.2Å; M95-L115 HydrophobicContact SD-CD2 3.55Å; M95-L115 VanDerWaalsContact SD-CD2 3.55Å; V113-L115 HydrophobicContact CB-CD1 4.48Å; V113-L115 HydrophobicContact CG1-CD1 3.55Å; L115-F244 HydrophobicContact CB-CE2 3.97Å; L115-F245 CarbonylContact O-C 3.51Å; L115-F245 WeakPolarHBondContact O-CA 3.29Å; L115-L246 HydrophobicContact CB-CB 4.38Å; L115-L246 PolarHBondContact N-O 3.03Å; L115-L246 PolarHBondContact O-N 3.05Å
116F96.5Very high93.7Very high61 Ų6157.7 Ų57.727%0.26829%0.292SS..EExtended strand (participates in β ladder)trans-153.7158.9178.359.2-84.8000110.7M1 F244 F245 V266 M270M1-F116 HydrophobicContact CE-CE2 4.4Å; M1-F116 HydrophobicContact SD-CE2 4.28Å; M1-F116 HydrophobicContact SD-CZ 4.09Å; F116-F244 WeakPolarHBondContact CA-O 3.42Å; F116-F244 VanDerWaalsContact CB-O 3.26Å; F116-F244 WeakPolarHBondContact CB-O 3.26Å; F116-F245 HydrophobicContact CB-CB 4.43Å; F116-F245 HydrophobicContact CB-CD2 3.87Å; F116-F245 HydrophobicContact CG-CD2 4.46Å; F116-V266 HydrophobicContact CD1-CG1 4.18Å; F116-V266 HydrophobicContact CE1-CG1 3.99Å; F116-V266 HydrophobicContact CZ-CG1 4.29Å; F116-M270 HydrophobicContact CE1-CE 3.41Å; F116-M270 VanDerWaalsContact CE1-CE 3.41Å; F116-M270 HydrophobicContact CZ-CE 3.55Å
117S96.3Very high92.8Very high31 Ų3157.2 Ų57.222%0.21729%0.287CS..  trans-106154.7169.669.60000111.3H119 G243 F244S117-H119 PolarHBondContact OG-O 3.29Å; S117-G243 WeakPolarHBondContact OG-CA 3.37Å; S117-F244 PolarHBondContact N-O 3.39Å; S117-F244 VanDerWaalsContact N-O 3.15Å; S117-F244 PolarHBondContact OG-N 2.97Å; S117-F244 VanDerWaalsContact OG-N 3.12Å
118D95.2Very high92.2Very high103 Ų10363 Ų6355%0.55131%0.314SS*.SBendtrans-72-37.117453.4-11.5000112.5
119H97.3Very high92.2Very high46 Ų4661.3 Ų61.321%0.21331%0.305CS..  trans-152.8-177.8176.452.776000112.8D71 S117 H232D71-H119 IonicContact OD1-CE1 3.63Å; D71-H119 PolarHBondContact OD1-CE1 3.11Å; S117-H119 PolarHBondContact OG-O 3.29Å; H119-H232 AromaticContact CD2-CE1 4Å; H119-H232 AromaticContact CD2-ND1 3.65Å; H119-H232 AromaticContact CE1-CD2 3.32Å; H119-H232 PolarHBondContact CE1-CD2 3.04Å; H119-H232 AromaticContact CE1-CE1 3.42Å; H119-H232 PolarHBondContact CE1-CE1 3.08Å; H119-H232 VanDerWaalsContact CE1-CE1 3.42Å; H119-H232 AromaticContact CE1-CG 3.25Å; H119-H232 AromaticContact CE1-ND1 3.32Å; H119-H232 PolarHBondContact CE1-ND1 3.21Å; H119-H232 VanDerWaalsContact CE1-ND1 3.32Å; H119-H232 AromaticContact CE1-NE2 3.49Å; H119-H232 PolarHBondContact CE1-NE2 2.99Å; H119-H232 AromaticContact CG-ND1 3.87Å; H119-H232 AromaticContact ND1-CD2 3.86Å; H119-H232 AromaticContact ND1-CG 3.42Å; H119-H232 AromaticContact ND1-ND1 3.67Å; H119-H232 AromaticContact NE2-CD2 3.92Å; H119-H232 AromaticContact NE2-CE1 3.19Å; H119-H232 PolarHBondContact NE2-CE1 2.88Å; H119-H232 AromaticContact NE2-CG 3.71Å; H119-H232 AromaticContact NE2-ND1 3.24Å; H119-H232 PolarHBondContact NE2-ND1 3.24Å; H119-H232 AromaticContact NE2-NE2 3.68Å
120G97.5Very high92.2Very high17 Ų1756 Ų5618%0.17528%0.277CS..  trans-103.7-156164.900000112.1H232 D240 M241G120-H232 WeakPolarHBondContact O-CB 3.44Å; G120-D240 CarbonylContact C-O 3.54Å; G120-D240 VanDerWaalsContact C-O 3.23Å; G120-D240 WeakPolarHBondContact CA-O 3.15Å; G120-M241 PolarHBondContact N-O 3.43Å
121M97.8Very high92.3Very high27 Ų2749.4 Ų49.413%0.13325%0.246CC..  trans-149.7134.3-173.4-176.966.370.100110.9D71 P79 W231 D240D71-M121 WeakPolarHBondContact OD1-CE 3.48Å; P79-M121 HydrophobicContact CB-CB 4.17Å; P79-M121 HydrophobicContact CB-CG 3.98Å; P79-M121 HydrophobicContact CG-CG 4.31Å; M121-W231 VanDerWaalsContact SD-CA 3.52Å; M121-W231 PolarHBondContact SD-N 2.8Å; M121-D240 PolarHBondContact N-O 2.68Å
122T96.4Very high92.3Very high6 Ų648.6 Ų48.64%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-114.2141.5175.3-70.80000110.2P203 G230 W231 Y234 D240 M241T122-P203 HydrophobicContact CG2-CB 4.13Å; T122-G230 CarbonylContact O-C 3.54Å; T122-G230 VanDerWaalsContact O-CA 3.23Å; T122-G230 WeakPolarHBondContact O-CA 3.49Å; T122-W231 PolarHBondContact N-O 3.38Å; T122-W231 PolarHBondContact O-N 2.98Å; T122-Y234 HydrophobicContact CG2-CE2 4.22Å; T122-D240 WeakPolarHBondContact OG1-CB 3.35Å; T122-D240 PolarHBondContact OG1-OD2 2.7Å; T122-D240 VanDerWaalsContact OG1-OD2 3.11Å; T122-M241 VanDerWaalsContact OG1-CE 3.22Å; T122-M241 WeakPolarHBondContact OG1-CE 3.39Å
123K94.7Very high92.3Very high118 Ų11846.8 Ų46.851%0.51323%0.232SC..EExtended strand (participates in β ladder)trans-67136.6172.7-174.9175.4-178.1174.60111.1P79 G204 N229P79-K123 HydrophobicContact CG-CB 4.11Å; K123-G204 WeakPolarHBondContact O-CA 3.38Å; K123-N229 WeakPolarHBondContact CA-O 3.48Å
124I91.2Very high92.3Very high5 Ų548.2 Ų48.23%0.02624%0.239CC..  trans-108.7149175.459.2-171.9000111W126 Q228 N229 W231 Y234I124-W126 HydrophobicContact CD1-CD2 4.37Å; I124-W126 HydrophobicContact CD1-CH2 4.05Å; I124-W126 HydrophobicContact CD1-CZ2 3.13Å; I124-W126 HydrophobicContact CG1-CZ2 4.17Å; I124-Q228 HydrophobicContact CD1-CB 4.12Å; I124-N229 PolarHBondContact N-O 2.9Å; I124-W231 HydrophobicContact CD1-CB 4.19Å; I124-W231 HydrophobicContact CG2-CB 3.66Å; I124-Y234 WeakPolarHBondContact CG2-OH 3.36Å
125Q82.1Confident92.3Very high75 Ų7552.7 Ų52.735%0.3526%0.257SS..  trans-12087.6-178.3-64.6-179.7-85.700110E128 K129Q125-E128 PolarHBondContact NE2-OE2 2.77Å; Q125-E128 PolarHBondContact O-N 3.5Å; Q125-K129 HydrophobicContact CB-CB 4.34Å; Q125-K129 HydrophobicContact CB-CD 4.29Å; Q125-K129 HydrophobicContact CB-CG 4.28Å; Q125-K129 PolarHBondContact O-N 2.68Å; Q125-K129 VanDerWaalsContact OE1-CD 3.32Å
126W73.1Confident92.3Very high32 Ų3255.7 Ų55.712%0.12127%0.266CS..THydrogen-bonded Turntrans-60.9141.4174.3-55.9104.9000109.8I124 E128 V130 F206 L214 A226 Q228I124-W126 HydrophobicContact CD1-CD2 4.37Å; I124-W126 HydrophobicContact CD1-CH2 4.05Å; I124-W126 HydrophobicContact CD1-CZ2 3.13Å; I124-W126 HydrophobicContact CG1-CZ2 4.17Å; W126-E128 PolarHBondContact O-N 3.36Å; W126-V130 HydrophobicContact CE3-CG2 3.85Å; W126-V130 HydrophobicContact CZ3-CG2 4.38Å; W126-F206 HydrophobicContact CH2-CB 4.32Å; W126-F206 AromaticContact CH2-CD1 3.74Å; W126-F206 HydrophobicContact CH2-CD1 3.74Å; W126-F206 AromaticContact CH2-CD2 3.46Å; W126-F206 HydrophobicContact CH2-CD2 3.46Å; W126-F206 VanDerWaalsContact CH2-CD2 3.46Å; W126-F206 AromaticContact CH2-CE1 3.81Å; W126-F206 HydrophobicContact CH2-CE1 3.81Å; W126-F206 AromaticContact CH2-CE2 3.54Å; W126-F206 HydrophobicContact CH2-CE2 3.54Å; W126-F206 AromaticContact CH2-CG 3.56Å; W126-F206 HydrophobicContact CH2-CG 3.56Å; W126-F206 AromaticContact CH2-CZ 3.72Å; W126-F206 HydrophobicContact CH2-CZ 3.72Å; W126-F206 HydrophobicContact CZ2-CD2 4.25Å; W126-F206 HydrophobicContact CZ2-CE2 4.3Å; W126-F206 HydrophobicContact CZ3-CB 3.89Å; W126-F206 AromaticContact CZ3-CD1 3.56Å; W126-F206 HydrophobicContact CZ3-CD1 3.56Å; W126-F206 AromaticContact CZ3-CD2 3.91Å; W126-F206 HydrophobicContact CZ3-CD2 3.91Å; W126-F206 HydrophobicContact CZ3-CE1 4.02Å; W126-F206 HydrophobicContact CZ3-CE2 4.33Å; W126-F206 AromaticContact CZ3-CG 3.5Å; W126-F206 HydrophobicContact CZ3-CG 3.5Å; W126-F206 VanDerWaalsContact CZ3-CG 3.5Å; W126-F206 HydrophobicContact CZ3-CZ 4.38Å; W126-L214 HydrophobicContact CE3-CD1 3.69Å; W126-L214 HydrophobicContact CH2-CD1 4.35Å; W126-L214 HydrophobicContact CH2-CD2 4.15Å; W126-L214 HydrophobicContact CZ3-CD1 3.4Å; W126-L214 VanDerWaalsContact CZ3-CD1 3.4Å; W126-L214 HydrophobicContact CZ3-CD2 3.93Å; W126-L214 HydrophobicContact CZ3-CG 4.24Å; W126-A226 HydrophobicContact CB-CB 3.85Å; W126-A226 HydrophobicContact CD2-CB 3.59Å; W126-A226 HydrophobicContact CE3-CB 4.49Å; W126-A226 HydrophobicContact CG-CB 3.26Å; W126-A226 HydrophobicContact CZ2-CB 4.44Å; W126-Q228 HydrophobicContact CZ2-CB 4.17Å; W126-Q228 PolarHBondContact NE1-O 2.91Å
127M72.6Confident92.4Very high113 Ų11353.5 Ų53.556%0.55726%0.257SS*.THydrogen-bonded Turntrans86.8-39.1-173.4-51.5-58.2-73.900116.2Y216M127-Y216 HydrophobicContact SD-CE1 4.42Å
128E80.9Confident92.5Very high137 Ų13755.9 Ų55.964%0.6427%0.267SS*.THydrogen-bonded Turntrans-94.9-42.2-179.5-66.4179.3179.400112.4Q125 W126Q125-E128 PolarHBondContact NE2-OE2 2.77Å; Q125-E128 PolarHBondContact O-N 3.5Å; W126-E128 PolarHBondContact O-N 3.36Å
129K91.9Very high92.6Very high61 Ų6152.9 Ų52.927%0.26525%0.25SS..SBendtrans-116.853.3-168.1-64.2-172175.5167.80112.4Q125 G204 W205 F206Q125-K129 HydrophobicContact CB-CB 4.34Å; Q125-K129 HydrophobicContact CB-CD 4.29Å; Q125-K129 HydrophobicContact CB-CG 4.28Å; Q125-K129 PolarHBondContact O-N 2.68Å; Q125-K129 VanDerWaalsContact OE1-CD 3.32Å; K129-G204 WeakPolarHBondContact CB-O 3.42Å; K129-W205 VanDerWaalsContact C-CE3 3.41Å; K129-W205 VanDerWaalsContact CA-CE3 3.45Å; K129-W205 HydrophobicContact CB-CD2 3.69Å; K129-W205 HydrophobicContact CB-CE3 3.85Å; K129-W205 HydrophobicContact CB-CG 4.04Å; K129-W205 HydrophobicContact CB-CZ2 4.43Å; K129-W205 HydrophobicContact CB-CZ3 4.32Å; K129-W205 HydrophobicContact CD-CD2 4.44Å; K129-W205 HydrophobicContact CD-CG 4.46Å; K129-W205 HydrophobicContact CG-CD2 4.04Å; K129-W205 HydrophobicContact CG-CE3 4.44Å; K129-W205 HydrophobicContact CG-CG 4.49Å; K129-W205 HydrophobicContact CG-CH2 4.41Å; K129-W205 HydrophobicContact CG-CZ2 3.99Å; K129-W205 WeakPolarHBondContact O-CA 3.49Å; K129-F206 PolarHBondContact O-N 3.11Å
130V93.3Very high92.6Very high23 Ų2353.9 Ų53.914%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-119.3125.8177-1770000110.2W126 E132 F206 T208 K211 L214W126-V130 HydrophobicContact CE3-CG2 3.85Å; W126-V130 HydrophobicContact CZ3-CG2 4.38Å; V130-E132 HydrophobicContact CG1-CG 4.15Å; V130-F206 WeakPolarHBondContact CA-O 3.4Å; V130-T208 HydrophobicContact CG1-CG2 3.68Å; V130-K211 HydrophobicContact CG1-CB 4.14Å; V130-L214 HydrophobicContact CG1-CD1 4.26Å
131I95.9Very high92.6Very high2 Ų253.8 Ų53.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-97.9110174.8-56.4175.9000107.8L133 Y136 V171 M174 W205 F206 I207 T208I131-L133 HydrophobicContact CG2-CD2 4.44Å; I131-Y136 HydrophobicContact CG2-CE2 4.13Å; I131-V171 HydrophobicContact CG2-CG1 3.88Å; I131-M174 HydrophobicContact CD1-CB 3.71Å; I131-M174 HydrophobicContact CD1-CG 3.83Å; I131-M174 HydrophobicContact CD1-SD 4.1Å; I131-M174 HydrophobicContact CG2-CE 3.86Å; I131-M174 HydrophobicContact CG2-SD 4.09Å; I131-W205 HydrophobicContact CD1-CE3 4.14Å; I131-W205 HydrophobicContact CG1-CE3 3.7Å; I131-W205 HydrophobicContact CG1-CZ3 4.15Å; I131-F206 PolarHBondContact N-O 2.99Å; I131-I207 HydrophobicContact CB-CG1 4.31Å; I131-I207 HydrophobicContact CD1-CG1 4.23Å; I131-T208 PolarHBondContact O-N 3.29Å; I131-T208 VanDerWaalsContact O-O 3.05Å
132E95.8Very high92.7Very high12 Ų1253.5 Ų53.56%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-95.3106.9177.7-59.4179.6-104.500109.2V130 D134 K135 Y136 T208 K211V130-E132 HydrophobicContact CG1-CG 4.15Å; E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.35Å; E132-K135 HydrophobicContact CB-CD 3.97Å; E132-K135 HydrophobicContact CB-CG 4.02Å; E132-K135 WeakPolarHBondContact O-CB 3.3Å; E132-K135 PolarHBondContact O-N 2.94Å; E132-K135 WeakPolarHBondContact OE1-CE 3.38Å; E132-K135 IonicContact OE1-NZ 3.96Å; E132-K135 PolarHBondContact OE1-NZ 3.01Å; E132-Y136 WeakPolarHBondContact O-CD2 3.44Å; E132-Y136 WeakPolarHBondContact O-CE2 3.35Å; E132-T208 WeakPolarHBondContact CA-O 3.43Å; E132-T208 HydrophobicContact CG-CG2 4.41Å; E132-K211 HydrophobicContact CG-CB 3.99Å; E132-K211 HydrophobicContact CG-CG 4.48Å; E132-K211 WeakPolarHBondContact OE1-CD 3.33Å; E132-K211 WeakPolarHBondContact OE2-CB 3.49Å; E132-K211 VanDerWaalsContact OE2-CG 3.24Å; E132-K211 WeakPolarHBondContact OE2-CG 3.38Å; E132-K211 PolarHBondContact OE2-N 2.9Å
133L97.8Very high92.8Very high0 Ų058.4 Ų58.40%029%0.286CS..G310 helixtrans-61.4-34.7-173.1-64.2179.6000112.7I131 K135 Y136 I137 M139 M145 V152 L168 M174 L199 I207 T208 K209I131-L133 HydrophobicContact CG2-CD2 4.44Å; L133-K135 PolarHBondContact O-N 3.2Å; L133-K135 VanDerWaalsContact O-N 3.15Å; L133-Y136 PolarHBondContact O-N 3.43Å; L133-I137 HydrophobicContact CB-CG1 4.43Å; L133-I137 WeakPolarHBondContact O-CG1 3.21Å; L133-I137 PolarHBondContact O-N 3.06Å; L133-M139 HydrophobicContact CB-SD 4.25Å; L133-M145 HydrophobicContact CD1-CE 3.94Å; L133-M145 HydrophobicContact CD1-SD 4.03Å; L133-V152 HydrophobicContact CD1-CG1 4.38Å; L133-L168 HydrophobicContact CD2-CD2 3.9Å; L133-M174 HydrophobicContact CD2-CE 4.12Å; L133-L199 HydrophobicContact CD1-CD1 3.97Å; L133-L199 HydrophobicContact CD2-CD1 3.74Å; L133-I207 HydrophobicContact CD1-CG2 3.98Å; L133-I207 HydrophobicContact CD2-CG2 3.75Å; L133-I207 HydrophobicContact CG-CG2 3.83Å; L133-T208 WeakPolarHBondContact CG-O 3.49Å; L133-T208 PolarHBondContact N-O 2.96Å; L133-K209 PolarHBondContact N-O 2.77Å
134D97.1Very high92.9Very high57 Ų5757.9 Ų57.931%0.30528%0.284SS..G310 helixtrans-69.2-8.2-179.169.5-9.1000114.6E132 M139 K209 N210E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.35Å; D134-M139 HydrophobicContact CB-CG 3.72Å; D134-M139 HydrophobicContact CB-SD 4.39Å; D134-K209 PolarHBondContact N-O 2.68Å; D134-K209 VanDerWaalsContact N-O 3.12Å; D134-K209 VanDerWaalsContact OD1-O 3.06Å; D134-N210 VanDerWaalsContact OD2-CB 3.3Å; D134-N210 WeakPolarHBondContact OD2-CB 3.49Å; D134-N210 PolarHBondContact OD2-ND2 3.25Å
135K97.2Very high93.2Very high132 Ų13260.1 Ų60.157%0.57430%0.295SS*.G310 helixtrans-81.5-19169-65.2-174.6172.9172.90113.5E132 L133E132-K135 HydrophobicContact CB-CD 3.97Å; E132-K135 HydrophobicContact CB-CG 4.02Å; E132-K135 WeakPolarHBondContact O-CB 3.3Å; E132-K135 PolarHBondContact O-N 2.94Å; E132-K135 WeakPolarHBondContact OE1-CE 3.38Å; E132-K135 IonicContact OE1-NZ 3.96Å; E132-K135 PolarHBondContact OE1-NZ 3.01Å; L133-K135 PolarHBondContact O-N 3.2Å; L133-K135 VanDerWaalsContact O-N 3.15Å
136Y98.1Very high93.8Very high112 Ų11260.7 Ų60.744%0.43930%0.299SS..THydrogen-bonded Turntrans-112.9-27.5-174-58.3-77.1000112.8I131 E132 L133 V171I131-Y136 HydrophobicContact CG2-CE2 4.13Å; E132-Y136 WeakPolarHBondContact O-CD2 3.44Å; E132-Y136 WeakPolarHBondContact O-CE2 3.35Å; L133-Y136 PolarHBondContact O-N 3.43Å; Y136-V171 HydrophobicContact CD1-CG2 3.48Å; Y136-V171 VanDerWaalsContact CD1-CG2 3.48Å; Y136-V171 HydrophobicContact CD2-CG1 4.42Å; Y136-V171 HydrophobicContact CD2-CG2 3.86Å; Y136-V171 HydrophobicContact CE1-CG1 4.21Å; Y136-V171 HydrophobicContact CE1-CG2 3.74Å; Y136-V171 HydrophobicContact CE2-CG1 3.91Å; Y136-V171 HydrophobicContact CE2-CG2 4.1Å; Y136-V171 HydrophobicContact CG-CG2 3.53Å
137I98.4Very high94.8Very high14 Ų1465 Ų657%0.07232%0.324CS..SBendtrans-136.4153.6-177.156.7159.9000111.6L133 M139 I142 L154 V164 A167 L168L133-I137 HydrophobicContact CB-CG1 4.43Å; L133-I137 WeakPolarHBondContact O-CG1 3.21Å; L133-I137 PolarHBondContact O-N 3.06Å; I137-M139 HydrophobicContact CD1-SD 4.03Å; I137-M139 HydrophobicContact CG1-SD 4.18Å; I137-M139 PolarHBondContact O-N 3.12Å; I137-I142 HydrophobicContact CD1-CD1 3.83Å; I137-I142 HydrophobicContact CD1-CG1 3.94Å; I137-L154 HydrophobicContact CD1-CD2 4.2Å; I137-V164 HydrophobicContact CD1-CG1 4.15Å; I137-V164 HydrophobicContact CG2-CB 4.5Å; I137-V164 HydrophobicContact CG2-CG1 4.21Å; I137-V164 HydrophobicContact CG2-CG2 4.47Å; I137-A167 HydrophobicContact CG2-CB 3.87Å; I137-L168 HydrophobicContact CD1-CD1 4.25Å; I137-L168 HydrophobicContact CD1-CD2 4.33Å; I137-L168 HydrophobicContact CG1-CD2 4.18Å; I137-L168 HydrophobicContact CG2-CD2 3.76Å; I137-L168 HydrophobicContact CG2-CG 3.79Å
138D97.8Very high95.7Very high82 Ų8263.5 Ų63.544%0.43931%0.312SS..  trans-76.6116169.7-174-21.6000109.1S140 D141D138-S140 PolarHBondContact O-N 2.91Å; D138-S140 VanDerWaalsContact O-N 3.12Å; D138-S140 WeakPolarHBondContact OD1-CB 3.17Å; D138-S140 PolarHBondContact OD1-N 3.39Å; D138-S140 PolarHBondContact OD1-OG 3.21Å; D138-S140 PolarHBondContact OD2-OG 3.24Å; D138-S140 VanDerWaalsContact OD2-OG 3.12Å; D138-D141 VanDerWaalsContact O-CB 3.27Å; D138-D141 WeakPolarHBondContact O-CB 3.26Å; D138-D141 PolarHBondContact O-N 3.15Å
139M97.3Very high96.4Very high39 Ų3957 Ų5719%0.19228%0.282CS..G310 helixtrans-65.1-16-179-65-57.4-5500113.1L133 D134 I137 D141 I142 M145 K209L133-M139 HydrophobicContact CB-SD 4.25Å; D134-M139 HydrophobicContact CB-CG 3.72Å; D134-M139 HydrophobicContact CB-SD 4.39Å; I137-M139 HydrophobicContact CD1-SD 4.03Å; I137-M139 HydrophobicContact CG1-SD 4.18Å; I137-M139 PolarHBondContact O-N 3.12Å; M139-D141 PolarHBondContact O-N 3.49Å; M139-I142 HydrophobicContact CE-CB 4.33Å; M139-I142 HydrophobicContact CE-CG1 4.05Å; M139-I142 PolarHBondContact O-N 2.87Å; M139-I142 HydrophobicContact SD-CG1 4.41Å; M139-M145 HydrophobicContact CE-SD 4.17Å; M139-K209 HydrophobicContact CE-CD 4.22Å; M139-K209 HydrophobicContact CE-CG 4.01Å; M139-K209 HydrophobicContact CG-CG 4.23Å; M139-K209 HydrophobicContact SD-CG 4.28Å
140S97.9Very high96.6Very high68 Ų6854.2 Ų54.248%0.47627%0.271SS..G310 helixtrans-69.9-16.1171.177.70000113.1D138 I142 K157D138-S140 PolarHBondContact O-N 2.91Å; D138-S140 VanDerWaalsContact O-N 3.12Å; D138-S140 WeakPolarHBondContact OD1-CB 3.17Å; D138-S140 PolarHBondContact OD1-N 3.39Å; D138-S140 PolarHBondContact OD1-OG 3.21Å; D138-S140 PolarHBondContact OD2-OG 3.24Å; D138-S140 VanDerWaalsContact OD2-OG 3.12Å; S140-I142 PolarHBondContact O-N 3.23Å; S140-K157 WeakPolarHBondContact O-CE 3.48Å; S140-K157 PolarHBondContact O-NZ 3.22Å
141D98.3Very high96.8Very high14 Ų1455.3 Ų55.38%0.07528%0.277CS..G310 helixtrans-78.4-7.4172.4-73.8-33.2000112.8D138 M139 P156 K157 T160 K163 V164D138-D141 VanDerWaalsContact O-CB 3.27Å; D138-D141 WeakPolarHBondContact O-CB 3.26Å; D138-D141 PolarHBondContact O-N 3.15Å; M139-D141 PolarHBondContact O-N 3.49Å; D141-P156 CarbonylContact O-C 3.56Å; D141-P156 WeakPolarHBondContact O-CA 3.47Å; D141-K157 PolarHBondContact O-N 2.85Å; D141-T160 WeakPolarHBondContact CB-OG1 3.49Å; D141-T160 VanDerWaalsContact OD1-CG2 3.25Å; D141-T160 WeakPolarHBondContact OD1-CG2 3.49Å; D141-T160 PolarHBondContact OD1-OG1 2.63Å; D141-K163 IonicContact OD2-NZ 3.08Å; D141-K163 PolarHBondContact OD2-NZ 3.1Å; D141-V164 HydrophobicContact CB-CG2 3.89Å
142I98.4Very high96.9Very high22 Ų2255.2 Ų55.211%0.11328%0.277CS..EExtended strand (participates in β ladder)trans-101.6122.5-175-54.5-51.4000110.8I137 M139 S140 K144 M145 L154 P156 V164I137-I142 HydrophobicContact CD1-CD1 3.83Å; I137-I142 HydrophobicContact CD1-CG1 3.94Å; M139-I142 HydrophobicContact CE-CB 4.33Å; M139-I142 HydrophobicContact CE-CG1 4.05Å; M139-I142 PolarHBondContact O-N 2.87Å; M139-I142 HydrophobicContact SD-CG1 4.41Å; S140-I142 PolarHBondContact O-N 3.23Å; I142-K144 WeakPolarHBondContact CG2-O 3.22Å; I142-M145 HydrophobicContact CG2-CB 4.33Å; I142-L154 HydrophobicContact CB-CD1 4.45Å; I142-L154 HydrophobicContact CD1-CD1 4.05Å; I142-L154 HydrophobicContact CD1-CD2 3.82Å; I142-L154 HydrophobicContact CD1-CG 3.93Å; I142-L154 HydrophobicContact CG1-CD1 4.12Å; I142-L154 HydrophobicContact CG2-CD1 3.48Å; I142-L154 VanDerWaalsContact CG2-CD1 3.48Å; I142-L154 HydrophobicContact CG2-CG 4.22Å; I142-P156 HydrophobicContact CD1-CB 4.1Å; I142-P156 HydrophobicContact CD1-CG 4.12Å; I142-V164 HydrophobicContact CD1-CG1 4.03Å; I142-V164 HydrophobicContact CD1-CG2 4.17Å
143V98.1Very high97Very high108 Ų10855.3 Ų55.366%0.65528%0.279SS*.EExtended strand (participates in β ladder)trans-77.9-44.1175.2179.30000110.5W155 K157V143-W155 WeakPolarHBondContact CA-O 3.49Å; V143-W155 WeakPolarHBondContact CB-O 3.42Å; V143-W155 PolarHBondContact N-O 3.06Å; V143-K157 HydrophobicContact CG2-CB 4.38Å; V143-K157 HydrophobicContact CG2-CG 3.65Å
144K97.7Very high97Very high107 Ų10755.3 Ų55.347%0.46528%0.279SS..EExtended strand (participates in β ladder)trans-146.8138.1179.5-168.2-178.9-171.3-170.50110I142 M146 W155I142-K144 WeakPolarHBondContact CG2-O 3.22Å; K144-M146 HydrophobicContact CD-CG 4.18Å; K144-M146 HydrophobicContact CD-SD 4.26Å; K144-M146 WeakPolarHBondContact CE-SD 3.32Å; K144-M146 HydrophobicContact CG-CG 4.28Å; K144-M146 PolarHBondContact NZ-SD 3.12Å; K144-W155 HydrophobicContact CB-CB 4.17Å; K144-W155 HydrophobicContact CB-CD2 4.29Å; K144-W155 HydrophobicContact CB-CE3 3.79Å; K144-W155 HydrophobicContact CD-CE3 4.01Å; K144-W155 HydrophobicContact CD-CZ3 4.06Å; K144-W155 HydrophobicContact CG-CE3 3.94Å; K144-W155 HydrophobicContact CG-CZ3 4.22Å; K144-W155 PolarHBondContact N-O 2.72Å; K144-W155 PolarHBondContact O-N 3.41Å
145M96.8Very high97.1Very high52 Ų5255.5 Ų55.526%0.25628%0.275SS..EExtended strand (participates in β ladder)trans-121.8133.4164.8178.6176.4165.300106.6L133 M139 I142 D147 V152 S153 L154 K209L133-M145 HydrophobicContact CD1-CE 3.94Å; L133-M145 HydrophobicContact CD1-SD 4.03Å; M139-M145 HydrophobicContact CE-SD 4.17Å; I142-M145 HydrophobicContact CG2-CB 4.33Å; M145-D147 WeakPolarHBondContact CE-O 3.43Å; M145-V152 HydrophobicContact CE-CG1 3.8Å; M145-V152 HydrophobicContact CE-CG2 4.39Å; M145-V152 HydrophobicContact CG-CG1 3.95Å; M145-V152 HydrophobicContact SD-CG1 4.47Å; M145-S153 CarbonylContact C-O 3.58Å; M145-S153 WeakPolarHBondContact CA-O 3.38Å; M145-L154 HydrophobicContact CB-CD1 3.89Å; M145-L154 HydrophobicContact CG-CD1 4.03Å; M145-K209 HydrophobicContact CE-CB 4.33Å; M145-K209 HydrophobicContact SD-CB 4.2Å
146M96Very high97.2Very high87 Ų8749.5 Ų49.543%0.42925%0.25SC..EExtended strand (participates in β ladder)trans-119.7136.8171.4-72.6-178.36700109.3K144 S153 W155K144-M146 HydrophobicContact CD-CG 4.18Å; K144-M146 HydrophobicContact CD-SD 4.26Å; K144-M146 WeakPolarHBondContact CE-SD 3.32Å; K144-M146 HydrophobicContact CG-CG 4.28Å; K144-M146 PolarHBondContact NZ-SD 3.12Å; M146-S153 PolarHBondContact N-O 3.14Å; M146-S153 PolarHBondContact O-N 3.25Å; M146-S153 VanDerWaalsContact O-N 3.09Å; M146-W155 HydrophobicContact CB-CH2 4.45Å; M146-W155 HydrophobicContact CB-CZ3 3.95Å; M146-W155 HydrophobicContact CG-CH2 4.15Å; M146-W155 HydrophobicContact CG-CZ3 3.68Å; M146-W155 HydrophobicContact SD-CH2 3.63Å; M146-W155 HydrophobicContact SD-CZ3 3.78Å
147D92.4Very high97.2Very high122 Ų12248.3 Ų48.365%0.65225%0.247SC*.  trans69177.6177.5-139.3-22.7000115.2M145M145-D147 WeakPolarHBondContact CE-O 3.43Å
148R93.1Very high97.1Very high82 Ų8255.3 Ų55.331%0.30928%0.284SS..  trans-146.2155.8169.161.7177-175.1-162.20.3108.3F206 I207 T213R148-F206 HydrophobicContact CB-CE1 3.9Å; R148-F206 HydrophobicContact CB-CZ 4.24Å; R148-F206 HydrophobicContact CG-CE1 3.94Å; R148-F206 HydrophobicContact CG-CZ 3.86Å; R148-I207 CarbonylContact C-O 3.55Å; R148-I207 WeakPolarHBondContact CA-O 3.44Å; R148-T213 PolarHBondContact NH1-O 2.94Å
149G94.3Very high97.2Very high0 Ų057.6 Ų57.60%030%0.302CS..BIsolated β-bridgetrans115.4-140.117700000112.8V151 I207G149-V151 VanDerWaalsContact C-N 3.31Å; G149-V151 PolarHBondContact O-N 3.24Å; G149-I207 PolarHBondContact N-O 3.35Å; G149-I207 VanDerWaalsContact O-CB 3.24Å; G149-I207 WeakPolarHBondContact O-CB 3.46Å; G149-I207 WeakPolarHBondContact O-CG1 3.02Å; G149-I207 PolarHBondContact O-N 3.39Å
150P96.3Very high97.2Very high4 Ų456.9 Ų56.93%0.02630%0.299CS..SBendtrans-66.3-31.8-174.7-30.540.8000113.9V200 A201 W231 H232 Y234P150-V200 CarbonylContact O-C 3.49Å; P150-V200 WeakPolarHBondContact O-CA 3.22Å; P150-A201 PolarHBondContact O-N 3.47Å; P150-W231 HydrophobicContact CG-CG 4.37Å; P150-H232 WeakPolarHBondContact CG-O 2.96Å; P150-Y234 HydrophobicContact CB-CD1 3.5Å; P150-Y234 VanDerWaalsContact CB-CD1 3.5Å; P150-Y234 HydrophobicContact CB-CD2 4.07Å; P150-Y234 HydrophobicContact CB-CE1 3.65Å; P150-Y234 HydrophobicContact CB-CE2 4.2Å; P150-Y234 HydrophobicContact CB-CG 3.71Å; P150-Y234 HydrophobicContact CG-CD1 3.84Å; P150-Y234 HydrophobicContact CG-CD2 3.75Å; P150-Y234 HydrophobicContact CG-CE1 3.57Å; P150-Y234 HydrophobicContact CG-CE2 3.47Å; P150-Y234 VanDerWaalsContact CG-CE2 3.47Å; P150-Y234 HydrophobicContact CG-CG 3.91Å
151V97.7Very high97.3Very high46 Ų4656.1 Ų56.128%0.27929%0.286SS..EExtended strand (participates in β ladder)trans-128.1126.2179.9-178.70000108.9G149 T198 L199 V200 G233G149-V151 VanDerWaalsContact C-N 3.31Å; G149-V151 PolarHBondContact O-N 3.24Å; V151-T198 HydrophobicContact CG1-CG2 4.03Å; V151-L199 VanDerWaalsContact CA-O 3.26Å; V151-L199 WeakPolarHBondContact CA-O 3.31Å; V151-V200 HydrophobicContact CG2-CG1 4.44Å; V151-V200 HydrophobicContact CG2-CG2 4.39Å; V151-G233 WeakPolarHBondContact CG2-O 3.42Å
152V98.1Very high97.3Very high0 Ų061.3 Ų61.30%031%0.31CS..EExtended strand (participates in β ladder)trans-125130.7176.1170.10000109L133 M145 L199 I207L133-V152 HydrophobicContact CD1-CG1 4.38Å; M145-V152 HydrophobicContact CE-CG1 3.8Å; M145-V152 HydrophobicContact CE-CG2 4.39Å; M145-V152 HydrophobicContact CG-CG1 3.95Å; M145-V152 HydrophobicContact SD-CG1 4.47Å; V152-L199 HydrophobicContact CB-CB 4.25Å; V152-L199 HydrophobicContact CB-CD1 4.22Å; V152-L199 HydrophobicContact CB-CG 4.38Å; V152-L199 HydrophobicContact CG1-CD1 4.18Å; V152-L199 PolarHBondContact N-O 2.74Å; V152-L199 PolarHBondContact O-N 3.4Å; V152-I207 HydrophobicContact CB-CG2 4.24Å; V152-I207 HydrophobicContact CG2-CB 3.79Å; V152-I207 HydrophobicContact CG2-CG2 3.73Å
153S98.3Very high97.3Very high14 Ų1466 Ų6610%0.09833%0.33CS..EExtended strand (participates in β ladder)trans-96.1122.8174.4-85.30000110.4M145 M146 S195M145-S153 CarbonylContact C-O 3.58Å; M145-S153 WeakPolarHBondContact CA-O 3.38Å; M146-S153 PolarHBondContact N-O 3.14Å; M146-S153 PolarHBondContact O-N 3.25Å; M146-S153 VanDerWaalsContact O-N 3.09Å; S153-S195 WeakPolarHBondContact CA-OG 3.44Å; S153-S195 WeakPolarHBondContact CB-OG 2.98Å; S153-S195 PolarHBondContact OG-OG 3.46Å
154L98.3Very high97.3Very high0 Ų060.9 Ų60.90%030%0.299CS..EExtended strand (participates in β ladder)trans-126.2132.1-173.2-162.171.2000111.2I137 I142 M145 V164 L168 S196 L197 L199I137-L154 HydrophobicContact CD1-CD2 4.2Å; I142-L154 HydrophobicContact CB-CD1 4.45Å; I142-L154 HydrophobicContact CD1-CD1 4.05Å; I142-L154 HydrophobicContact CD1-CD2 3.82Å; I142-L154 HydrophobicContact CD1-CG 3.93Å; I142-L154 HydrophobicContact CG1-CD1 4.12Å; I142-L154 HydrophobicContact CG2-CD1 3.48Å; I142-L154 VanDerWaalsContact CG2-CD1 3.48Å; I142-L154 HydrophobicContact CG2-CG 4.22Å; M145-L154 HydrophobicContact CB-CD1 3.89Å; M145-L154 HydrophobicContact CG-CD1 4.03Å; L154-V164 HydrophobicContact CD2-CG1 4.12Å; L154-L168 HydrophobicContact CD2-CD1 3.66Å; L154-S196 PolarHBondContact O-OG 3.06Å; L154-L197 HydrophobicContact CB-CB 4.26Å; L154-L197 PolarHBondContact N-O 2.95Å; L154-L197 PolarHBondContact O-N 3Å; L154-L199 HydrophobicContact CD2-CD1 4.45Å
155W98.4Very high97.3Very high60 Ų6057.9 Ų57.923%0.22729%0.285CS..EExtended strand (participates in β ladder)trans-119.693.2174.2-67-95.9000109.9V143 K144 M146 S195V143-W155 WeakPolarHBondContact CA-O 3.49Å; V143-W155 WeakPolarHBondContact CB-O 3.42Å; V143-W155 PolarHBondContact N-O 3.06Å; K144-W155 HydrophobicContact CB-CB 4.17Å; K144-W155 HydrophobicContact CB-CD2 4.29Å; K144-W155 HydrophobicContact CB-CE3 3.79Å; K144-W155 HydrophobicContact CD-CE3 4.01Å; K144-W155 HydrophobicContact CD-CZ3 4.06Å; K144-W155 HydrophobicContact CG-CE3 3.94Å; K144-W155 HydrophobicContact CG-CZ3 4.22Å; K144-W155 PolarHBondContact N-O 2.72Å; K144-W155 PolarHBondContact O-N 3.41Å; M146-W155 HydrophobicContact CB-CH2 4.45Å; M146-W155 HydrophobicContact CB-CZ3 3.95Å; M146-W155 HydrophobicContact CG-CH2 4.15Å; M146-W155 HydrophobicContact CG-CZ3 3.68Å; M146-W155 HydrophobicContact SD-CH2 3.63Å; M146-W155 HydrophobicContact SD-CZ3 3.78Å; W155-S195 VanDerWaalsContact CE2-CA 3.5Å
156P98.5Very high97.4Very high6 Ų658.4 Ų58.44%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-68.9160.3171.5-17.932.9000112.1D141 I142 Y161 V164 S196 L197D141-P156 CarbonylContact O-C 3.56Å; D141-P156 WeakPolarHBondContact O-CA 3.47Å; I142-P156 HydrophobicContact CD1-CB 4.1Å; I142-P156 HydrophobicContact CD1-CG 4.12Å; P156-Y161 HydrophobicContact CB-CD2 4.46Å; P156-Y161 HydrophobicContact CG-CD2 4.2Å; P156-V164 HydrophobicContact CB-CB 4.18Å; P156-V164 HydrophobicContact CB-CG1 4.26Å; P156-V164 HydrophobicContact CB-CG2 4.19Å; P156-V164 HydrophobicContact CG-CB 4.1Å; P156-V164 HydrophobicContact CG-CG1 3.72Å; P156-S196 VanDerWaalsContact CD-OG 3.3Å; P156-S196 WeakPolarHBondContact CD-OG 3.35Å; P156-L197 HydrophobicContact CG-CD1 3.71Å; P156-L197 HydrophobicContact CG-CG 4.25Å
157K98.6Very high97.5Very high88 Ų8855.9 Ų55.938%0.38329%0.287SS..  trans-61.7142.9166.4-67.5170.6177.8165.20109.4S140 D141 V143 T159 T160 Y161S140-K157 WeakPolarHBondContact O-CE 3.48Å; S140-K157 PolarHBondContact O-NZ 3.22Å; D141-K157 PolarHBondContact O-N 2.85Å; V143-K157 HydrophobicContact CG2-CB 4.38Å; V143-K157 HydrophobicContact CG2-CG 3.65Å; K157-T159 PolarHBondContact O-N 2.79Å; K157-T160 CarbonylContact O-C 3.6Å; K157-T160 PolarHBondContact O-N 3.01Å; K157-Y161 PolarHBondContact O-N 3.14Å
158N97.8Very high97.8Very high160 Ų16050.1 Ų50.186%0.85626%0.256SS*.THydrogen-bonded Turntrans-55.5-38.5179.5-71.6-7000112.6T160N158-T160 VanDerWaalsContact C-N 3.27Å; N158-T160 PolarHBondContact O-N 2.86Å
159T98.3Very high98.1Very high131 Ų13148.5 Ų48.580%0.80426%0.257SS*.THydrogen-bonded Turntrans-68.2-22.6-179.551.90000113.8K157K157-T159 PolarHBondContact O-N 2.79Å
160T98.3Very high98.2Very high24 Ų2455.7 Ų55.715%0.14729%0.291CS..THydrogen-bonded Turntrans-120.36.6-177.154.90000113.5D141 K157 N158 Q162 K163 V164D141-T160 WeakPolarHBondContact CB-OG1 3.49Å; D141-T160 VanDerWaalsContact OD1-CG2 3.25Å; D141-T160 WeakPolarHBondContact OD1-CG2 3.49Å; D141-T160 PolarHBondContact OD1-OG1 2.63Å; K157-T160 CarbonylContact O-C 3.6Å; K157-T160 PolarHBondContact O-N 3.01Å; N158-T160 VanDerWaalsContact C-N 3.27Å; N158-T160 PolarHBondContact O-N 2.86Å; T160-Q162 PolarHBondContact O-N 2.88Å; T160-K163 WeakPolarHBondContact O-CB 3.44Å; T160-K163 PolarHBondContact O-N 3.17Å; T160-K163 VanDerWaalsContact O-N 3.17Å; T160-V164 WeakPolarHBondContact O-CG2 3.41Å; T160-V164 PolarHBondContact O-N 3.3Å
161Y98.6Very high98.3Very high51 Ų5155.9 Ų55.920%0.229%0.292CS..Hα-helixtrans-50.8-51.8178.1177.9-91.4000112.7P156 K157 K163 V164 Y165 S178 S196 L197P156-Y161 HydrophobicContact CB-CD2 4.46Å; P156-Y161 HydrophobicContact CG-CD2 4.2Å; K157-Y161 PolarHBondContact O-N 3.14Å; Y161-K163 VanDerWaalsContact C-N 3.34Å; Y161-K163 PolarHBondContact O-N 3.13Å; Y161-V164 PolarHBondContact O-N 3.05Å; Y161-Y165 WeakPolarHBondContact O-CB 3.4Å; Y161-Y165 PolarHBondContact O-N 2.91Å; Y161-S178 VanDerWaalsContact OH-CB 3.28Å; Y161-S178 WeakPolarHBondContact OH-CB 3.38Å; Y161-S196 PolarHBondContact OH-O 3.39Å; Y161-L197 HydrophobicContact CD2-CG 4.5Å; Y161-L197 HydrophobicContact CE2-CD1 4.37Å; Y161-L197 HydrophobicContact CE2-CD2 3.64Å; Y161-L197 HydrophobicContact CE2-CG 3.75Å; Y161-L197 VanDerWaalsContact OH-CD2 3.28Å; Y161-L197 WeakPolarHBondContact OH-CD2 3Å
162Q98.5Very high98.3Very high124 Ų12461 Ų6158%0.57931%0.313SS*.Hα-helixtrans-66.1-36.4-177.4-69.4-60.5-18.700112.8T160 S166T160-Q162 PolarHBondContact O-N 2.88Å; Q162-S166 VanDerWaalsContact O-CB 3.25Å; Q162-S166 WeakPolarHBondContact O-CB 3.42Å; Q162-S166 PolarHBondContact O-N 3.06Å; Q162-S166 PolarHBondContact O-OG 2.88Å
163K98.4Very high98.2Very high119 Ų11963.4 Ų63.452%0.51733%0.325SS..Hα-helixtrans-61.6-50.6174176-167168.8-159.70110.4D141 T160 Y161 A167D141-K163 IonicContact OD2-NZ 3.08Å; D141-K163 PolarHBondContact OD2-NZ 3.1Å; T160-K163 WeakPolarHBondContact O-CB 3.44Å; T160-K163 PolarHBondContact O-N 3.17Å; T160-K163 VanDerWaalsContact O-N 3.17Å; Y161-K163 VanDerWaalsContact C-N 3.34Å; Y161-K163 PolarHBondContact O-N 3.13Å; K163-A167 WeakPolarHBondContact O-CB 3.36Å; K163-A167 PolarHBondContact O-N 2.97Å
164V98.7Very high98.2Very high1 Ų163.2 Ų63.21%0.00632%0.323CS..Hα-helixtrans-63.5-48.4179.8170.20000111.2I137 D141 I142 L154 P156 T160 Y161 S166 A167 L168 L197I137-V164 HydrophobicContact CD1-CG1 4.15Å; I137-V164 HydrophobicContact CG2-CB 4.5Å; I137-V164 HydrophobicContact CG2-CG1 4.21Å; I137-V164 HydrophobicContact CG2-CG2 4.47Å; D141-V164 HydrophobicContact CB-CG2 3.89Å; I142-V164 HydrophobicContact CD1-CG1 4.03Å; I142-V164 HydrophobicContact CD1-CG2 4.17Å; L154-V164 HydrophobicContact CD2-CG1 4.12Å; P156-V164 HydrophobicContact CB-CB 4.18Å; P156-V164 HydrophobicContact CB-CG1 4.26Å; P156-V164 HydrophobicContact CB-CG2 4.19Å; P156-V164 HydrophobicContact CG-CB 4.1Å; P156-V164 HydrophobicContact CG-CG1 3.72Å; T160-V164 WeakPolarHBondContact O-CG2 3.41Å; T160-V164 PolarHBondContact O-N 3.3Å; Y161-V164 PolarHBondContact O-N 3.05Å; V164-S166 PolarHBondContact O-N 3.43Å; V164-A167 PolarHBondContact O-N 2.91Å; V164-L168 HydrophobicContact CG1-CD1 3.84Å; V164-L168 HydrophobicContact CG1-CG 4.35Å; V164-L168 WeakPolarHBondContact O-CB 3.49Å; V164-L168 WeakPolarHBondContact O-CG 3.34Å; V164-L168 PolarHBondContact O-N 2.9Å; V164-L197 HydrophobicContact CG1-CD1 3.96Å
165Y98.7Very high98.2Very high45 Ų4570.8 Ų70.818%0.17635%0.351CS..Hα-helixtrans-58.7-48.4178.7176.9-105.6000111.8Y161 A167 L168 S169 V176 E181 L197Y161-Y165 WeakPolarHBondContact O-CB 3.4Å; Y161-Y165 PolarHBondContact O-N 2.91Å; Y165-A167 PolarHBondContact O-N 3.07Å; Y165-L168 PolarHBondContact O-N 3.2Å; Y165-S169 VanDerWaalsContact O-CB 3.27Å; Y165-S169 WeakPolarHBondContact O-CB 3.23Å; Y165-S169 PolarHBondContact O-N 3.37Å; Y165-S169 PolarHBondContact O-OG 3.17Å; Y165-V176 HydrophobicContact CD2-CG1 3.75Å; Y165-V176 HydrophobicContact CE2-CG1 3.94Å; Y165-E181 PolarHBondContact OH-OE1 3.49Å; Y165-E181 PolarHBondContact OH-OE2 3.35Å; Y165-L197 HydrophobicContact CD2-CD1 4.47Å; Y165-L197 HydrophobicContact CD2-CD2 3.44Å; Y165-L197 VanDerWaalsContact CD2-CD2 3.44Å; Y165-L197 HydrophobicContact CE2-CD2 4.18Å; Y165-L197 HydrophobicContact CG-CD2 4.27Å
166S98.4Very high98.2Very high63 Ų6368.7 Ų68.744%0.44135%0.345SS..Hα-helixtrans-63-43.7-179.5-57.70000111.8Q162 V164 S169Q162-S166 VanDerWaalsContact O-CB 3.25Å; Q162-S166 WeakPolarHBondContact O-CB 3.42Å; Q162-S166 PolarHBondContact O-N 3.06Å; Q162-S166 PolarHBondContact O-OG 2.88Å; V164-S166 PolarHBondContact O-N 3.43Å; S166-S169 PolarHBondContact O-N 3.49Å
167A98.6Very high98.2Very high34 Ų3470.4 Ų70.428%0.28135%0.351SS..Hα-helixtrans-63.9-48.3178.900000112I137 K163 V164 Y165 S169 Q170I137-A167 HydrophobicContact CG2-CB 3.87Å; K163-A167 WeakPolarHBondContact O-CB 3.36Å; K163-A167 PolarHBondContact O-N 2.97Å; V164-A167 PolarHBondContact O-N 2.91Å; Y165-A167 PolarHBondContact O-N 3.07Å; A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 3.2Å; A167-Q170 PolarHBondContact O-N 3.02Å
168L98.6Very high98.2Very high0 Ų067.1 Ų67.10%034%0.339CS..Hα-helixtrans-68.5-30.5-179.9-64.8179.8000112.5L133 I137 L154 V164 Y165 Q170 V171 M174 V176 L199L133-L168 HydrophobicContact CD2-CD2 3.9Å; I137-L168 HydrophobicContact CD1-CD1 4.25Å; I137-L168 HydrophobicContact CD1-CD2 4.33Å; I137-L168 HydrophobicContact CG1-CD2 4.18Å; I137-L168 HydrophobicContact CG2-CD2 3.76Å; I137-L168 HydrophobicContact CG2-CG 3.79Å; L154-L168 HydrophobicContact CD2-CD1 3.66Å; V164-L168 HydrophobicContact CG1-CD1 3.84Å; V164-L168 HydrophobicContact CG1-CG 4.35Å; V164-L168 WeakPolarHBondContact O-CB 3.49Å; V164-L168 WeakPolarHBondContact O-CG 3.34Å; V164-L168 PolarHBondContact O-N 2.9Å; Y165-L168 PolarHBondContact O-N 3.2Å; L168-Q170 PolarHBondContact O-N 2.81Å; L168-V171 WeakPolarHBondContact O-CB 3.28Å; L168-V171 WeakPolarHBondContact O-CG2 3.25Å; L168-V171 PolarHBondContact O-N 3.28Å; L168-M174 HydrophobicContact CB-CE 4.33Å; L168-M174 HydrophobicContact CD2-CE 4.04Å; L168-V176 HydrophobicContact CB-CG1 4.42Å; L168-V176 HydrophobicContact CB-CG2 3.68Å; L168-V176 WeakPolarHBondContact O-CG2 3.28Å; L168-L199 HydrophobicContact CD1-CD1 4.24Å; L168-L199 HydrophobicContact CD1-CD2 4.02Å
169S98.2Very high98.1Very high49 Ų4963.8 Ų63.834%0.34332%0.315SS..Hα-helixtrans-67.5-15.7178.9-61.70000113.6Y165 S166 A167Y165-S169 VanDerWaalsContact O-CB 3.27Å; Y165-S169 WeakPolarHBondContact O-CB 3.23Å; Y165-S169 PolarHBondContact O-N 3.37Å; Y165-S169 PolarHBondContact O-OG 3.17Å; S166-S169 PolarHBondContact O-N 3.49Å; A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 3.2Å
170Q97.6Very high98.1Very high150 Ų15065.6 Ų65.670%0.70131%0.314SS*.THydrogen-bonded Turntrans-86.3-8.6172.8-58.4-53.2-58.500113A167 L168 H172A167-Q170 PolarHBondContact O-N 3.02Å; L168-Q170 PolarHBondContact O-N 2.81Å; Q170-H172 PolarHBondContact O-N 2.81Å
171V98.1Very high98Very high9 Ų968.9 Ų68.96%0.05533%0.328CS..  trans-78.6122.7-176.6-174.10000109.7I131 Y136 L168 M174I131-V171 HydrophobicContact CG2-CG1 3.88Å; Y136-V171 HydrophobicContact CD1-CG2 3.48Å; Y136-V171 VanDerWaalsContact CD1-CG2 3.48Å; Y136-V171 HydrophobicContact CD2-CG1 4.42Å; Y136-V171 HydrophobicContact CD2-CG2 3.86Å; Y136-V171 HydrophobicContact CE1-CG1 4.21Å; Y136-V171 HydrophobicContact CE1-CG2 3.74Å; Y136-V171 HydrophobicContact CE2-CG1 3.91Å; Y136-V171 HydrophobicContact CE2-CG2 4.1Å; Y136-V171 HydrophobicContact CG-CG2 3.53Å; L168-V171 WeakPolarHBondContact O-CB 3.28Å; L168-V171 WeakPolarHBondContact O-CG2 3.25Å; L168-V171 PolarHBondContact O-N 3.28Å; V171-M174 HydrophobicContact CB-CE 3.47Å; V171-M174 VanDerWaalsContact CB-CE 3.47Å; V171-M174 HydrophobicContact CB-CG 4.37Å; V171-M174 HydrophobicContact CG1-CE 3.67Å; V171-M174 HydrophobicContact CG1-CG 4.37Å; V171-M174 HydrophobicContact CG2-CE 3.78Å
172H96.8Very high98Very high154 Ų15466.5 Ų66.571%0.71332%0.319SS*.THydrogen-bonded Turntrans-69157.2177.1-62-67.8000112.2Q170 M174Q170-H172 PolarHBondContact O-N 2.81Å; H172-M174 PolarHBondContact O-N 3.28Å
173N97.1Very high98Very high50 Ų5062 Ų6227%0.26730%0.3SS..THydrogen-bonded Turntrans63.915.6176.4-41.5-79000115.4E202 W205N173-E202 HydrophobicContact CB-CB 4.49Å; N173-E202 PolarHBondContact O-N 2.68Å; N173-W205 HydrophobicContact CB-CD2 3.45Å; N173-W205 VanDerWaalsContact CB-CD2 3.45Å; N173-W205 HydrophobicContact CB-CE3 4.06Å; N173-W205 HydrophobicContact CB-CG 3.73Å; N173-W205 HydrophobicContact CB-CH2 4.31Å; N173-W205 HydrophobicContact CB-CZ2 3.75Å; N173-W205 HydrophobicContact CB-CZ3 4.44Å; N173-W205 VanDerWaalsContact CB-NE1 3.34Å; N173-W205 VanDerWaalsContact ND2-CH2 3.32Å; N173-W205 WeakPolarHBondContact ND2-CH2 3.31Å; N173-W205 WeakPolarHBondContact ND2-CZ2 3.44Å; N173-W205 PolarHBondContact OD1-NE1 2.85Å
174M97.6Very high97.9Very high10 Ų1061.9 Ų61.95%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-140.7157159.167.7171.8170.800110.7I131 L133 L168 V171 H172 L199 V200 I207I131-M174 HydrophobicContact CD1-CB 3.71Å; I131-M174 HydrophobicContact CD1-CG 3.83Å; I131-M174 HydrophobicContact CD1-SD 4.1Å; I131-M174 HydrophobicContact CG2-CE 3.86Å; I131-M174 HydrophobicContact CG2-SD 4.09Å; L133-M174 HydrophobicContact CD2-CE 4.12Å; L168-M174 HydrophobicContact CB-CE 4.33Å; L168-M174 HydrophobicContact CD2-CE 4.04Å; V171-M174 HydrophobicContact CB-CE 3.47Å; V171-M174 VanDerWaalsContact CB-CE 3.47Å; V171-M174 HydrophobicContact CB-CG 4.37Å; V171-M174 HydrophobicContact CG1-CE 3.67Å; V171-M174 HydrophobicContact CG1-CG 4.37Å; V171-M174 HydrophobicContact CG2-CE 3.78Å; H172-M174 PolarHBondContact O-N 3.28Å; M174-L199 HydrophobicContact SD-CB 4.3Å; M174-L199 HydrophobicContact SD-CD1 4.41Å; M174-V200 CarbonylContact C-O 3.56Å; M174-V200 VanDerWaalsContact CA-O 3.28Å; M174-V200 WeakPolarHBondContact CA-O 3.48Å; M174-V200 WeakPolarHBondContact CB-O 3.25Å; M174-I207 HydrophobicContact CB-CD1 4.24Å; M174-I207 HydrophobicContact SD-CD1 3.88Å; M174-I207 HydrophobicContact SD-CG1 4.25Å
175R98.2Very high97.8Very high158 Ų15866.7 Ų66.760%0.59632%0.32SS*.EExtended strand (participates in β ladder)trans-106.1135.3168.3-63.1-63.3-176.5166-1.1109Y177 L199 V200R175-Y177 HydrophobicContact CB-CD2 4.35Å; R175-Y177 HydrophobicContact CB-CE1 4.37Å; R175-Y177 HydrophobicContact CB-CE2 3.63Å; R175-L199 CarbonylContact O-C 3.57Å; R175-L199 WeakPolarHBondContact O-CA 3.34Å; R175-V200 PolarHBondContact N-O 2.96Å; R175-V200 PolarHBondContact O-N 2.84Å
176V98.4Very high97.6Very high16 Ų1667 Ų6710%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-105.3116.3173.3-175.40000107Y165 L168 L197 L199Y165-V176 HydrophobicContact CD2-CG1 3.75Å; Y165-V176 HydrophobicContact CE2-CG1 3.94Å; L168-V176 HydrophobicContact CB-CG1 4.42Å; L168-V176 HydrophobicContact CB-CG2 3.68Å; L168-V176 WeakPolarHBondContact O-CG2 3.28Å; V176-L197 HydrophobicContact CG1-CD1 4.49Å; V176-L197 HydrophobicContact CG1-CD2 4.26Å; V176-L199 HydrophobicContact CB-CD2 4.23Å; V176-L199 HydrophobicContact CG1-CD2 3.73Å; V176-L199 HydrophobicContact CG2-CD2 3.96Å
177Y98.6Very high97.4Very high42 Ų4270.4 Ų70.417%0.16533%0.334CS..EExtended strand (participates in β ladder)trans-105.7122.9175.2-60.7-71.6000109.1R175 E181 I182 P183 L197 T198 V200R175-Y177 HydrophobicContact CB-CD2 4.35Å; R175-Y177 HydrophobicContact CB-CE1 4.37Å; R175-Y177 HydrophobicContact CB-CE2 3.63Å; Y177-E181 HydrophobicContact CD1-CB 4.14Å; Y177-E181 WeakPolarHBondContact CD1-O 3.37Å; Y177-I182 HydrophobicContact CG-CG1 4.27Å; Y177-P183 HydrophobicContact CE1-CG 4.03Å; Y177-L197 WeakPolarHBondContact O-CA 3.42Å; Y177-T198 PolarHBondContact N-O 2.99Å; Y177-T198 PolarHBondContact O-N 2.63Å; Y177-V200 HydrophobicContact CD2-CG2 3.9Å; Y177-V200 HydrophobicContact CE2-CB 4.09Å; Y177-V200 HydrophobicContact CE2-CG2 3.82Å
178S98.3Very high97.3Very high19 Ų1973.2 Ų73.213%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-62.9158151.471.40000108.9Y161 Q180 E181 I182Y161-S178 VanDerWaalsContact OH-CB 3.28Å; Y161-S178 WeakPolarHBondContact OH-CB 3.38Å; S178-Q180 PolarHBondContact O-N 3.24Å; S178-E181 VanDerWaalsContact CB-OE2 3.23Å; S178-E181 WeakPolarHBondContact CB-OE2 3.34Å; S178-E181 PolarHBondContact N-OE2 3.04Å; S178-E181 PolarHBondContact O-N 3.32Å; S178-E181 WeakPolarHBondContact OG-CG 3.19Å; S178-E181 PolarHBondContact OG-OE2 2.84Å; S178-I182 PolarHBondContact O-N 3.44Å
179R97.1Very high97.1Very high91 Ų9175 Ų7534%0.34335%0.346SS..THydrogen-bonded Turntrans-51.2-34.9-177.9-174.4170.1179.4144.8-1.1113.9K189 G191 V194 S196R179-K189 PolarHBondContact NE-O 3.35Å; R179-K189 PolarHBondContact NH2-O 3.2Å; R179-K189 VanDerWaalsContact NH2-O 3.09Å; R179-K189 VanDerWaalsContact O-CB 3.3Å; R179-K189 WeakPolarHBondContact O-CB 3.37Å; R179-G191 PolarHBondContact NH2-O 3.42Å; R179-V194 HydrophobicContact CG-CG1 4.02Å; R179-V194 PolarHBondContact NH1-O 3.19Å; R179-S196 PolarHBondContact N-O 3.09Å
180Q96.7Very high96.9Very high169 Ų16981.3 Ų81.379%0.7937%0.368SS*.THydrogen-bonded Turntrans-76.9-29.7-179-64.2-177.93.100112.9S178 K189S178-Q180 PolarHBondContact O-N 3.24Å; Q180-K189 PolarHBondContact O-NZ 3.08Å
181E97.9Very high96.8Very high92 Ų9275.7 Ų75.743%0.4335%0.35SS..THydrogen-bonded Turntrans-82.8-14.7-177-67167.2147.600113.4Y165 Y177 S178Y165-E181 PolarHBondContact OH-OE1 3.49Å; Y165-E181 PolarHBondContact OH-OE2 3.35Å; Y177-E181 HydrophobicContact CD1-CB 4.14Å; Y177-E181 WeakPolarHBondContact CD1-O 3.37Å; S178-E181 VanDerWaalsContact CB-OE2 3.23Å; S178-E181 WeakPolarHBondContact CB-OE2 3.34Å; S178-E181 PolarHBondContact N-OE2 3.04Å; S178-E181 PolarHBondContact O-N 3.32Å; S178-E181 WeakPolarHBondContact OG-CG 3.19Å; S178-E181 PolarHBondContact OG-OE2 2.84Å
182I98.1Very high96.6Very high2 Ų283.9 Ų83.91%0.0139%0.385CS..SBendtrans-52.6126.5174.1-66171.4000108.7Y177 S178 E184 F186 Y188 K189 V194Y177-I182 HydrophobicContact CG-CG1 4.27Å; S178-I182 PolarHBondContact O-N 3.44Å; I182-E184 PolarHBondContact O-N 3.36Å; I182-F186 HydrophobicContact CG2-CD2 3.96Å; I182-Y188 HydrophobicContact CD1-CD1 3.97Å; I182-Y188 HydrophobicContact CD1-CE1 4.28Å; I182-Y188 HydrophobicContact CG2-CD1 4.14Å; I182-K189 HydrophobicContact CB-CB 3.86Å; I182-K189 HydrophobicContact CB-CD 4.5Å; I182-K189 HydrophobicContact CD1-CB 4.11Å; I182-K189 HydrophobicContact CG2-CB 4.01Å; I182-V194 HydrophobicContact CD1-CG1 3.61Å
183P97.6Very high96.3Very high30 Ų3084.4 Ų84.420%0.19539%0.385CS..  trans-53.7132.8-176.7-2934.7000112.9Y177 R185 F186Y177-P183 HydrophobicContact CE1-CG 4.03Å; P183-R185 HydrophobicContact CB-CG 4.11Å; P183-R185 PolarHBondContact O-N 3.32Å; P183-F186 HydrophobicContact CB-CD2 4.18Å; P183-F186 HydrophobicContact CB-CE2 4.34Å; P183-F186 HydrophobicContact CB-CG 4.29Å; P183-F186 HydrophobicContact CG-CD2 4.09Å; P183-F186 HydrophobicContact CG-CE2 3.84Å; P183-F186 HydrophobicContact CG-CZ 4.21Å; P183-F186 WeakPolarHBondContact O-CB 3.16Å; P183-F186 PolarHBondContact O-N 2.93Å
184E96.5Very high96.3Very high115 Ų11582.4 Ų82.454%0.53738%0.375SS..G310 helixtrans-57.4-34.9179.2-70.2-69.4179.400112.2I182 F186 L187 K189I182-E184 PolarHBondContact O-N 3.36Å; E184-F186 PolarHBondContact O-N 3.32Å; E184-F186 VanDerWaalsContact O-N 3.14Å; E184-L187 PolarHBondContact O-N 3.44Å; E184-K189 WeakPolarHBondContact OE1-CE 3.4Å; E184-K189 IonicContact OE1-NZ 3.47Å; E184-K189 PolarHBondContact OE1-NZ 3.05Å; E184-K189 WeakPolarHBondContact OE2-CE 3.3Å; E184-K189 IonicContact OE2-NZ 2.61Å
185R95.9Very high96.3Very high103 Ų10381.9 Ų81.939%0.38937%0.372SS..G310 helixtrans-62-20.7179.369.6172.9175.6805.9114.2P183 L187 D235 N236 E237P183-R185 HydrophobicContact CB-CG 4.11Å; P183-R185 PolarHBondContact O-N 3.32Å; R185-L187 VanDerWaalsContact C-N 3.27Å; R185-D235 IonicContact CZ-OD1 3.23Å; R185-D235 IonicContact CZ-OD2 2.99Å; R185-D235 IonicContact NH1-OD1 3.56Å; R185-D235 PolarHBondContact NH1-OD1 3.5Å; R185-D235 IonicContact NH1-OD2 3.97Å; R185-D235 VanDerWaalsContact NH2-CG 3.25Å; R185-D235 IonicContact NH2-OD1 2.63Å; R185-D235 PolarHBondContact NH2-OD1 2.8Å; R185-D235 VanDerWaalsContact NH2-OD1 3.14Å; R185-D235 IonicContact NH2-OD2 3.75Å; R185-D235 PolarHBondContact NH2-OD2 3.33Å; R185-N236 PolarHBondContact NH1-OD1 2.92Å; R185-E237 VanDerWaalsContact CZ-CD 3.5Å; R185-E237 IonicContact CZ-OE1 3.39Å; R185-E237 IonicContact CZ-OE2 3.58Å; R185-E237 VanDerWaalsContact CZ-OE2 3.23Å; R185-E237 IonicContact NE-OE1 3.35Å; R185-E237 IonicContact NE-OE2 3.88Å; R185-E237 PolarHBondContact NE-OE2 3.34Å; R185-E237 IonicContact NH1-OE1 2.77Å; R185-E237 IonicContact NH1-OE2 3.69Å; R185-E237 IonicContact NH2-OE2 3.14Å
186F95.8Very high96.3Very high51 Ų5176 Ų7622%0.22436%0.355CS..G310 helixtrans-73.3-21.4174.3-68.2-17000112.6I182 P183 E184 Y188 D235I182-F186 HydrophobicContact CG2-CD2 3.96Å; P183-F186 HydrophobicContact CB-CD2 4.18Å; P183-F186 HydrophobicContact CB-CE2 4.34Å; P183-F186 HydrophobicContact CB-CG 4.29Å; P183-F186 HydrophobicContact CG-CD2 4.09Å; P183-F186 HydrophobicContact CG-CE2 3.84Å; P183-F186 HydrophobicContact CG-CZ 4.21Å; P183-F186 WeakPolarHBondContact O-CB 3.16Å; P183-F186 PolarHBondContact O-N 2.93Å; E184-F186 PolarHBondContact O-N 3.32Å; E184-F186 VanDerWaalsContact O-N 3.14Å; F186-Y188 PolarHBondContact O-N 3.07Å; F186-D235 WeakPolarHBondContact CE1-OD2 3.49Å; F186-D235 VanDerWaalsContact CZ-OD2 3.25Å; F186-D235 WeakPolarHBondContact CZ-OD2 3.44Å
187L94.9Very high96.3Very high135 Ų13575.3 Ų75.371%0.70735%0.351SS*.  trans5225-172-59.4174.9000113.4E184 R185E184-L187 PolarHBondContact O-N 3.44Å; R185-L187 VanDerWaalsContact C-N 3.27Å
188Y94.9Very high96.3Very high92 Ų9273.5 Ų73.536%0.36134%0.344SS..  trans-93.8-40.9-170-179.9-112.6000112.6I182 F186 K190 G191 V194 T198I182-Y188 HydrophobicContact CD1-CD1 3.97Å; I182-Y188 HydrophobicContact CD1-CE1 4.28Å; I182-Y188 HydrophobicContact CG2-CD1 4.14Å; F186-Y188 PolarHBondContact O-N 3.07Å; Y188-K190 PolarHBondContact O-N 2.94Å; Y188-G191 PolarHBondContact O-N 3.08Å; Y188-V194 HydrophobicContact CD1-CG1 4.27Å; Y188-V194 HydrophobicContact CD1-CG2 4.09Å; Y188-V194 HydrophobicContact CD2-CG2 4.47Å; Y188-V194 HydrophobicContact CE1-CB 4.36Å; Y188-V194 HydrophobicContact CE1-CG1 3.87Å; Y188-V194 HydrophobicContact CE1-CG2 3.88Å; Y188-V194 HydrophobicContact CE2-CG2 4.29Å; Y188-V194 HydrophobicContact CG-CG2 4.37Å; Y188-V194 WeakPolarHBondContact O-CG2 3.44Å; Y188-T198 HydrophobicContact CE1-CG2 4.22Å
189K95.4Very high96.3Very high39 Ų3972.6 Ų72.617%0.1734%0.338CS..THydrogen-bonded Turntrans-62.8-17.1-163.971.3-179178-171.30117.8R179 Q180 I182 E184 G191R179-K189 PolarHBondContact NE-O 3.35Å; R179-K189 PolarHBondContact NH2-O 3.2Å; R179-K189 VanDerWaalsContact NH2-O 3.09Å; R179-K189 VanDerWaalsContact O-CB 3.3Å; R179-K189 WeakPolarHBondContact O-CB 3.37Å; Q180-K189 PolarHBondContact O-NZ 3.08Å; I182-K189 HydrophobicContact CB-CB 3.86Å; I182-K189 HydrophobicContact CB-CD 4.5Å; I182-K189 HydrophobicContact CD1-CB 4.11Å; I182-K189 HydrophobicContact CG2-CB 4.01Å; E184-K189 WeakPolarHBondContact OE1-CE 3.4Å; E184-K189 IonicContact OE1-NZ 3.47Å; E184-K189 PolarHBondContact OE1-NZ 3.05Å; E184-K189 WeakPolarHBondContact OE2-CE 3.3Å; E184-K189 IonicContact OE2-NZ 2.61Å; K189-G191 VanDerWaalsContact C-N 3.34Å
190K94.5Very high96.4Very high181 Ų18168.9 Ų68.979%0.78733%0.326SS*.THydrogen-bonded Turntrans-84.8-9177.6-64.3-178.1-177.4175.50112.6Y188Y188-K190 PolarHBondContact O-N 2.94Å
191G93.9Very high96.4Very high32 Ų3261.1 Ų61.133%0.3329%0.29SS..SBendtrans-62.9144.1-178.500000114R179 Y188 K189 F193 V194R179-G191 PolarHBondContact NH2-O 3.42Å; Y188-G191 PolarHBondContact O-N 3.08Å; K189-G191 VanDerWaalsContact C-N 3.34Å; G191-F193 PolarHBondContact O-N 2.97Å; G191-V194 WeakPolarHBondContact O-CG2 3.38Å; G191-V194 PolarHBondContact O-N 3.09Å
192K93.4Very high96.3Very high181 Ų18160.5 Ų60.579%0.78729%0.287SS*.THydrogen-bonded Turntrans-57.8-36.1-179.4-177.2177.8178.2-179.80113
193F92.3Very high96.2Very high165 Ų16562.2 Ų62.272%0.72430%0.298SS*.THydrogen-bonded Turntrans-98.77.9-173.4-56.2-64000114.3G191 S195G191-F193 PolarHBondContact O-N 2.97Å; F193-S195 PolarHBondContact O-N 3.02Å
194V96.5Very high96Very high7 Ų761 Ų614%0.04229%0.291CS..  trans-64.6129.9176.5178.30000109.9R179 I182 Y188 G191R179-V194 HydrophobicContact CG-CG1 4.02Å; R179-V194 PolarHBondContact NH1-O 3.19Å; I182-V194 HydrophobicContact CD1-CG1 3.61Å; Y188-V194 HydrophobicContact CD1-CG1 4.27Å; Y188-V194 HydrophobicContact CD1-CG2 4.09Å; Y188-V194 HydrophobicContact CD2-CG2 4.47Å; Y188-V194 HydrophobicContact CE1-CB 4.36Å; Y188-V194 HydrophobicContact CE1-CG1 3.87Å; Y188-V194 HydrophobicContact CE1-CG2 3.88Å; Y188-V194 HydrophobicContact CE2-CG2 4.29Å; Y188-V194 HydrophobicContact CG-CG2 4.37Å; Y188-V194 WeakPolarHBondContact O-CG2 3.44Å; G191-V194 WeakPolarHBondContact O-CG2 3.38Å; G191-V194 PolarHBondContact O-N 3.09Å
195S97.5Very high96Very high0 Ų057.7 Ų57.70%027%0.274CS..  trans-66.2163.6179.442.10000113.4S153 W155 F193 L197 T198S153-S195 WeakPolarHBondContact CA-OG 3.44Å; S153-S195 WeakPolarHBondContact CB-OG 2.98Å; S153-S195 PolarHBondContact OG-OG 3.46Å; W155-S195 VanDerWaalsContact CE2-CA 3.5Å; F193-S195 PolarHBondContact O-N 3.02Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 WeakPolarHBondContact CB-O 3.41Å; S195-L197 PolarHBondContact OG-O 2.96Å; S195-T198 PolarHBondContact OG-OG1 3.44Å; S195-T198 VanDerWaalsContact OG-OG1 3.06Å
196S97.8Very high95.9Very high35 Ų3552.9 Ų52.925%0.24526%0.255CS..SBendtrans-72.1-31.1173.457.20000111.7L154 P156 Y161 R179L154-S196 PolarHBondContact O-OG 3.06Å; P156-S196 VanDerWaalsContact CD-OG 3.3Å; P156-S196 WeakPolarHBondContact CD-OG 3.35Å; Y161-S196 PolarHBondContact OH-O 3.39Å; R179-S196 PolarHBondContact N-O 3.09Å
197L98.7Very high95.9Very high0 Ų050.5 Ų50.50%025%0.245CC..EExtended strand (participates in β ladder)trans-126124166.8-62.3-176.7000110.5L154 P156 Y161 V164 Y165 V176 Y177 S195 L199L154-L197 HydrophobicContact CB-CB 4.26Å; L154-L197 PolarHBondContact N-O 2.95Å; L154-L197 PolarHBondContact O-N 3Å; P156-L197 HydrophobicContact CG-CD1 3.71Å; P156-L197 HydrophobicContact CG-CG 4.25Å; Y161-L197 HydrophobicContact CD2-CG 4.5Å; Y161-L197 HydrophobicContact CE2-CD1 4.37Å; Y161-L197 HydrophobicContact CE2-CD2 3.64Å; Y161-L197 HydrophobicContact CE2-CG 3.75Å; Y161-L197 VanDerWaalsContact OH-CD2 3.28Å; Y161-L197 WeakPolarHBondContact OH-CD2 3Å; V164-L197 HydrophobicContact CG1-CD1 3.96Å; Y165-L197 HydrophobicContact CD2-CD1 4.47Å; Y165-L197 HydrophobicContact CD2-CD2 3.44Å; Y165-L197 VanDerWaalsContact CD2-CD2 3.44Å; Y165-L197 HydrophobicContact CE2-CD2 4.18Å; Y165-L197 HydrophobicContact CG-CD2 4.27Å; V176-L197 HydrophobicContact CG1-CD1 4.49Å; V176-L197 HydrophobicContact CG1-CD2 4.26Å; Y177-L197 WeakPolarHBondContact O-CA 3.42Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 WeakPolarHBondContact CB-O 3.41Å; S195-L197 PolarHBondContact OG-O 2.96Å; L197-L199 HydrophobicContact CB-CD2 4.45Å
198T98.5Very high95.9Very high5 Ų544.2 Ų44.23%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-106.5117.4171.2-58.20000108.7V151 Y177 Y188 S195 V200V151-T198 HydrophobicContact CG1-CG2 4.03Å; Y177-T198 PolarHBondContact N-O 2.99Å; Y177-T198 PolarHBondContact O-N 2.63Å; Y188-T198 HydrophobicContact CE1-CG2 4.22Å; S195-T198 PolarHBondContact OG-OG1 3.44Å; S195-T198 VanDerWaalsContact OG-OG1 3.06Å; T198-V200 HydrophobicContact CG2-CG2 4.11Å
199L98.6Very high95.8Very high0 Ų044.6 Ų44.60%022%0.216CC..EExtended strand (participates in β ladder)trans-95131.3177.5-41-176000108.3L133 V151 V152 L154 L168 M174 R175 V176 L197 I207L133-L199 HydrophobicContact CD1-CD1 3.97Å; L133-L199 HydrophobicContact CD2-CD1 3.74Å; V151-L199 VanDerWaalsContact CA-O 3.26Å; V151-L199 WeakPolarHBondContact CA-O 3.31Å; V152-L199 HydrophobicContact CB-CB 4.25Å; V152-L199 HydrophobicContact CB-CD1 4.22Å; V152-L199 HydrophobicContact CB-CG 4.38Å; V152-L199 HydrophobicContact CG1-CD1 4.18Å; V152-L199 PolarHBondContact N-O 2.74Å; V152-L199 PolarHBondContact O-N 3.4Å; L154-L199 HydrophobicContact CD2-CD1 4.45Å; L168-L199 HydrophobicContact CD1-CD1 4.24Å; L168-L199 HydrophobicContact CD1-CD2 4.02Å; M174-L199 HydrophobicContact SD-CB 4.3Å; M174-L199 HydrophobicContact SD-CD1 4.41Å; R175-L199 CarbonylContact O-C 3.57Å; R175-L199 WeakPolarHBondContact O-CA 3.34Å; V176-L199 HydrophobicContact CB-CD2 4.23Å; V176-L199 HydrophobicContact CG1-CD2 3.73Å; V176-L199 HydrophobicContact CG2-CD2 3.96Å; L197-L199 HydrophobicContact CB-CD2 4.45Å; L199-I207 HydrophobicContact CB-CD1 3.79Å; L199-I207 HydrophobicContact CD1-CG2 4.33Å
200V98.2Very high95.6Very high13 Ų1344.4 Ų44.48%0.07922%0.217CC..EExtended strand (participates in β ladder)trans-129.3114179.6-175.40000109.1P150 V151 M174 R175 Y177 T198P150-V200 CarbonylContact O-C 3.49Å; P150-V200 WeakPolarHBondContact O-CA 3.22Å; V151-V200 HydrophobicContact CG2-CG1 4.44Å; V151-V200 HydrophobicContact CG2-CG2 4.39Å; M174-V200 CarbonylContact C-O 3.56Å; M174-V200 VanDerWaalsContact CA-O 3.28Å; M174-V200 WeakPolarHBondContact CA-O 3.48Å; M174-V200 WeakPolarHBondContact CB-O 3.25Å; R175-V200 PolarHBondContact N-O 2.96Å; R175-V200 PolarHBondContact O-N 2.84Å; Y177-V200 HydrophobicContact CD2-CG2 3.9Å; Y177-V200 HydrophobicContact CE2-CB 4.09Å; Y177-V200 HydrophobicContact CE2-CG2 3.82Å; T198-V200 HydrophobicContact CG2-CG2 4.11Å
201A97.8Very high95.2Very high5 Ų538.9 Ų38.94%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-75.7155.5179.600000111.9P150 W205 I207 Y234P150-A201 PolarHBondContact O-N 3.47Å; A201-W205 HydrophobicContact CB-CB 3.99Å; A201-W205 WeakPolarHBondContact CB-O 3.28Å; A201-I207 HydrophobicContact CB-CD1 3.87Å; A201-I207 HydrophobicContact CB-CG1 3.92Å; A201-Y234 HydrophobicContact CB-CE1 4.3Å
202E96.5Very high94.7Very high80 Ų8042.6 Ų42.637%0.37421%0.209SC..PPolyproline II helixtrans-73.3154.3165.4-68.5-177.1-17600111N173 G204 W205 Y234N173-E202 HydrophobicContact CB-CB 4.49Å; N173-E202 PolarHBondContact O-N 2.68Å; E202-G204 PolarHBondContact O-N 2.93Å; E202-W205 VanDerWaalsContact O-CB 3.29Å; E202-W205 WeakPolarHBondContact O-CB 3.27Å; E202-W205 PolarHBondContact O-N 3.46Å; E202-Y234 WeakPolarHBondContact O-CE1 3.32Å
203P94.4Very high93.9Very high38 Ų3837.7 Ų37.725%0.24719%0.194CC..THydrogen-bonded Turntrans-50.4131.1-177.9-30.337.1000113.8T122 W205 F238T122-P203 HydrophobicContact CG2-CB 4.13Å; P203-W205 PolarHBondContact O-N 3.47Å; P203-F238 VanDerWaalsContact CD-CE2 3.4Å; P203-F238 HydrophobicContact CG-CB 4.36Å; P203-F238 HydrophobicContact CG-CD1 3.58Å; P203-F238 HydrophobicContact CG-CD2 3.36Å; P203-F238 HydrophobicContact CG-CE1 3.58Å; P203-F238 HydrophobicContact CG-CE2 3.36Å; P203-F238 HydrophobicContact CG-CG 3.49Å; P203-F238 VanDerWaalsContact CG-CG 3.49Å; P203-F238 HydrophobicContact CG-CZ 3.48Å; P203-F238 VanDerWaalsContact CG-CZ 3.48Å
204G93.6Very high93.2Very high3 Ų330.2 Ų30.23%0.03116%0.162CC..THydrogen-bonded Turntrans82.5-9.6-178.300000114.9K123 K129 E202 Y234K123-G204 WeakPolarHBondContact O-CA 3.38Å; K129-G204 WeakPolarHBondContact CB-O 3.42Å; E202-G204 PolarHBondContact O-N 2.93Å; G204-Y234 WeakPolarHBondContact CA-OH 3.49Å; G204-Y234 PolarHBondContact N-OH 3.33Å
205W95.9Very high91.7Very high47 Ų4731.6 Ų31.618%0.17817%0.171CC..  trans-86.4140.4171-71.185.5000112.1K129 I131 N173 A201 E202 P203 Y234K129-W205 VanDerWaalsContact C-CE3 3.41Å; K129-W205 VanDerWaalsContact CA-CE3 3.45Å; K129-W205 HydrophobicContact CB-CD2 3.69Å; K129-W205 HydrophobicContact CB-CE3 3.85Å; K129-W205 HydrophobicContact CB-CG 4.04Å; K129-W205 HydrophobicContact CB-CZ2 4.43Å; K129-W205 HydrophobicContact CB-CZ3 4.32Å; K129-W205 HydrophobicContact CD-CD2 4.44Å; K129-W205 HydrophobicContact CD-CG 4.46Å; K129-W205 HydrophobicContact CG-CD2 4.04Å; K129-W205 HydrophobicContact CG-CE3 4.44Å; K129-W205 HydrophobicContact CG-CG 4.49Å; K129-W205 HydrophobicContact CG-CH2 4.41Å; K129-W205 HydrophobicContact CG-CZ2 3.99Å; K129-W205 WeakPolarHBondContact O-CA 3.49Å; I131-W205 HydrophobicContact CD1-CE3 4.14Å; I131-W205 HydrophobicContact CG1-CE3 3.7Å; I131-W205 HydrophobicContact CG1-CZ3 4.15Å; N173-W205 HydrophobicContact CB-CD2 3.45Å; N173-W205 VanDerWaalsContact CB-CD2 3.45Å; N173-W205 HydrophobicContact CB-CE3 4.06Å; N173-W205 HydrophobicContact CB-CG 3.73Å; N173-W205 HydrophobicContact CB-CH2 4.31Å; N173-W205 HydrophobicContact CB-CZ2 3.75Å; N173-W205 HydrophobicContact CB-CZ3 4.44Å; N173-W205 VanDerWaalsContact CB-NE1 3.34Å; N173-W205 VanDerWaalsContact ND2-CH2 3.32Å; N173-W205 WeakPolarHBondContact ND2-CH2 3.31Å; N173-W205 WeakPolarHBondContact ND2-CZ2 3.44Å; N173-W205 PolarHBondContact OD1-NE1 2.85Å; A201-W205 HydrophobicContact CB-CB 3.99Å; A201-W205 WeakPolarHBondContact CB-O 3.28Å; E202-W205 VanDerWaalsContact O-CB 3.29Å; E202-W205 WeakPolarHBondContact O-CB 3.27Å; E202-W205 PolarHBondContact O-N 3.46Å; P203-W205 PolarHBondContact O-N 3.47Å; W205-Y234 VanDerWaalsContact O-CE1 3.31Å; W205-Y234 WeakPolarHBondContact O-CE1 3.17Å; W205-Y234 PolarHBondContact O-OH 2.77Å
206F94.6Very high90.3Very high2 Ų234.5 Ų34.51%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-122.1122.7-177.2-162.1-80.7000111W126 K129 V130 I131 R148 L214 W231W126-F206 HydrophobicContact CH2-CB 4.32Å; W126-F206 AromaticContact CH2-CD1 3.74Å; W126-F206 HydrophobicContact CH2-CD1 3.74Å; W126-F206 AromaticContact CH2-CD2 3.46Å; W126-F206 HydrophobicContact CH2-CD2 3.46Å; W126-F206 VanDerWaalsContact CH2-CD2 3.46Å; W126-F206 AromaticContact CH2-CE1 3.81Å; W126-F206 HydrophobicContact CH2-CE1 3.81Å; W126-F206 AromaticContact CH2-CE2 3.54Å; W126-F206 HydrophobicContact CH2-CE2 3.54Å; W126-F206 AromaticContact CH2-CG 3.56Å; W126-F206 HydrophobicContact CH2-CG 3.56Å; W126-F206 AromaticContact CH2-CZ 3.72Å; W126-F206 HydrophobicContact CH2-CZ 3.72Å; W126-F206 HydrophobicContact CZ2-CD2 4.25Å; W126-F206 HydrophobicContact CZ2-CE2 4.3Å; W126-F206 HydrophobicContact CZ3-CB 3.89Å; W126-F206 AromaticContact CZ3-CD1 3.56Å; W126-F206 HydrophobicContact CZ3-CD1 3.56Å; W126-F206 AromaticContact CZ3-CD2 3.91Å; W126-F206 HydrophobicContact CZ3-CD2 3.91Å; W126-F206 HydrophobicContact CZ3-CE1 4.02Å; W126-F206 HydrophobicContact CZ3-CE2 4.33Å; W126-F206 AromaticContact CZ3-CG 3.5Å; W126-F206 HydrophobicContact CZ3-CG 3.5Å; W126-F206 VanDerWaalsContact CZ3-CG 3.5Å; W126-F206 HydrophobicContact CZ3-CZ 4.38Å; K129-F206 PolarHBondContact O-N 3.11Å; V130-F206 WeakPolarHBondContact CA-O 3.4Å; I131-F206 PolarHBondContact N-O 2.99Å; R148-F206 HydrophobicContact CB-CE1 3.9Å; R148-F206 HydrophobicContact CB-CZ 4.24Å; R148-F206 HydrophobicContact CG-CE1 3.94Å; R148-F206 HydrophobicContact CG-CZ 3.86Å; F206-L214 HydrophobicContact CD1-CD2 4.32Å; F206-L214 HydrophobicContact CE1-CD2 3.82Å; F206-W231 HydrophobicContact CD2-CG 4.44Å; F206-W231 AromaticContact CE2-CD2 3.8Å; F206-W231 HydrophobicContact CE2-CD2 3.8Å; F206-W231 AromaticContact CE2-CE2 3.92Å; F206-W231 HydrophobicContact CE2-CE3 4.32Å; F206-W231 HydrophobicContact CE2-CG 4.02Å; F206-W231 HydrophobicContact CE2-CZ2 4.47Å
207I95.9Very high88.1Confident0 Ų039.9 Ų39.90%020%0.197CC..EExtended strand (participates in β ladder)trans-91.1129.6178-54.2166.4000109.3I131 L133 R148 G149 V152 M174 L199 A201I131-I207 HydrophobicContact CB-CG1 4.31Å; I131-I207 HydrophobicContact CD1-CG1 4.23Å; L133-I207 HydrophobicContact CD1-CG2 3.98Å; L133-I207 HydrophobicContact CD2-CG2 3.75Å; L133-I207 HydrophobicContact CG-CG2 3.83Å; R148-I207 CarbonylContact C-O 3.55Å; R148-I207 WeakPolarHBondContact CA-O 3.44Å; G149-I207 PolarHBondContact N-O 3.35Å; G149-I207 VanDerWaalsContact O-CB 3.24Å; G149-I207 WeakPolarHBondContact O-CB 3.46Å; G149-I207 WeakPolarHBondContact O-CG1 3.02Å; G149-I207 PolarHBondContact O-N 3.39Å; V152-I207 HydrophobicContact CB-CG2 4.24Å; V152-I207 HydrophobicContact CG2-CB 3.79Å; V152-I207 HydrophobicContact CG2-CG2 3.73Å; M174-I207 HydrophobicContact CB-CD1 4.24Å; M174-I207 HydrophobicContact SD-CD1 3.88Å; M174-I207 HydrophobicContact SD-CG1 4.25Å; L199-I207 HydrophobicContact CB-CD1 3.79Å; L199-I207 HydrophobicContact CD1-CG2 4.33Å; A201-I207 HydrophobicContact CB-CD1 3.87Å; A201-I207 HydrophobicContact CB-CG1 3.92Å
208T94.1Very high85.8Confident3 Ų348.9 Ų48.92%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-143.2162.8174-173.40000110.3V130 I131 E132 L133 N210 L214V130-T208 HydrophobicContact CG1-CG2 3.68Å; I131-T208 PolarHBondContact O-N 3.29Å; I131-T208 VanDerWaalsContact O-O 3.05Å; E132-T208 WeakPolarHBondContact CA-O 3.43Å; E132-T208 HydrophobicContact CG-CG2 4.41Å; L133-T208 WeakPolarHBondContact CG-O 3.49Å; L133-T208 PolarHBondContact N-O 2.96Å; T208-N210 PolarHBondContact OG1-O 3.43Å; T208-L214 HydrophobicContact CG2-CD1 4.27Å; T208-L214 HydrophobicContact CG2-CD2 4.5Å; T208-L214 HydrophobicContact CG2-CG 4.42Å
209K94.5Very high83.2Confident101 Ų10153.2 Ų53.244%0.43926%0.259SS..SBendtrans-59.8-55.1171.8175.6-179.2175.6-174.70110.2L133 D134 M139 M145L133-K209 PolarHBondContact N-O 2.77Å; D134-K209 PolarHBondContact N-O 2.68Å; D134-K209 VanDerWaalsContact N-O 3.12Å; D134-K209 VanDerWaalsContact OD1-O 3.06Å; M139-K209 HydrophobicContact CE-CD 4.22Å; M139-K209 HydrophobicContact CE-CG 4.01Å; M139-K209 HydrophobicContact CG-CG 4.23Å; M139-K209 HydrophobicContact SD-CG 4.28Å; M145-K209 HydrophobicContact CE-CB 4.33Å; M145-K209 HydrophobicContact SD-CB 4.2Å
210N90.4Very high80.9Confident35 Ų3561.1 Ų61.119%0.18730%0.302CS..  trans-151.2137.5-179.8-173.1-68.5000108.3D134 T208 T212 T213D134-N210 VanDerWaalsContact OD2-CB 3.3Å; D134-N210 WeakPolarHBondContact OD2-CB 3.49Å; D134-N210 PolarHBondContact OD2-ND2 3.25Å; T208-N210 PolarHBondContact OG1-O 3.43Å; N210-T212 PolarHBondContact O-N 3.17Å; N210-T212 VanDerWaalsContact OD1-CB 3.28Å; N210-T212 WeakPolarHBondContact OD1-CB 3.36Å; N210-T212 VanDerWaalsContact OD1-CG2 3.26Å; N210-T212 WeakPolarHBondContact OD1-CG2 3.26Å; N210-T212 PolarHBondContact OD1-N 2.84Å; N210-T212 PolarHBondContact OD1-OG1 2.83Å; N210-T213 PolarHBondContact O-N 3.32Å; N210-T213 PolarHBondContact O-OG1 2.91Å
211K86.1Confident78.8Confident65 Ų6566.4 Ų66.428%0.28334%0.339SS..G310 helixtrans-65.2-26.5-175.677.3-175.5167.7174.40113.1V130 E132 T213 L214 Y216V130-K211 HydrophobicContact CG1-CB 4.14Å; E132-K211 HydrophobicContact CG-CB 3.99Å; E132-K211 HydrophobicContact CG-CG 4.48Å; E132-K211 WeakPolarHBondContact OE1-CD 3.33Å; E132-K211 WeakPolarHBondContact OE2-CB 3.49Å; E132-K211 VanDerWaalsContact OE2-CG 3.24Å; E132-K211 WeakPolarHBondContact OE2-CG 3.38Å; E132-K211 PolarHBondContact OE2-N 2.9Å; K211-T213 PolarHBondContact O-N 2.91Å; K211-L214 HydrophobicContact CB-CD1 4.04Å; K211-L214 WeakPolarHBondContact O-CB 3.31Å; K211-L214 WeakPolarHBondContact O-CG 3.43Å; K211-L214 PolarHBondContact O-N 3Å; K211-Y216 WeakPolarHBondContact O-CE2 3.49Å; K211-Y216 PolarHBondContact O-OH 2.78Å
212T82.9Confident76.7Confident110 Ų11068.8 Ų68.868%0.67536%0.364SS*.G310 helixtrans-60.3-19177.761.10000113.9N210 L214N210-T212 PolarHBondContact O-N 3.17Å; N210-T212 VanDerWaalsContact OD1-CB 3.28Å; N210-T212 WeakPolarHBondContact OD1-CB 3.36Å; N210-T212 VanDerWaalsContact OD1-CG2 3.26Å; N210-T212 WeakPolarHBondContact OD1-CG2 3.26Å; N210-T212 PolarHBondContact OD1-N 2.84Å; N210-T212 PolarHBondContact OD1-OG1 2.83Å; T212-L214 VanDerWaalsContact C-N 3.33Å
213T77.1Confident74.7Confident78 Ų7874.2 Ų74.248%0.47939%0.389SS..G310 helixtrans-86.3-4.6175.567.10000113.6R148 N210 K211R148-T213 PolarHBondContact NH1-O 2.94Å; N210-T213 PolarHBondContact O-N 3.32Å; N210-T213 PolarHBondContact O-OG1 2.91Å; K211-T213 PolarHBondContact O-N 2.91Å
214L77.2Confident72.9Confident7 Ų774.7 Ų74.74%0.03740%0.396CS..SBendtrans-75.8142.3175.3-62171.7000109.7W126 V130 F206 T208 K211 T212 Y216W126-L214 HydrophobicContact CE3-CD1 3.69Å; W126-L214 HydrophobicContact CH2-CD1 4.35Å; W126-L214 HydrophobicContact CH2-CD2 4.15Å; W126-L214 HydrophobicContact CZ3-CD1 3.4Å; W126-L214 VanDerWaalsContact CZ3-CD1 3.4Å; W126-L214 HydrophobicContact CZ3-CD2 3.93Å; W126-L214 HydrophobicContact CZ3-CG 4.24Å; V130-L214 HydrophobicContact CG1-CD1 4.26Å; F206-L214 HydrophobicContact CD1-CD2 4.32Å; F206-L214 HydrophobicContact CE1-CD2 3.82Å; T208-L214 HydrophobicContact CG2-CD1 4.27Å; T208-L214 HydrophobicContact CG2-CD2 4.5Å; T208-L214 HydrophobicContact CG2-CG 4.42Å; K211-L214 HydrophobicContact CB-CD1 4.04Å; K211-L214 WeakPolarHBondContact O-CB 3.31Å; K211-L214 WeakPolarHBondContact O-CG 3.43Å; K211-L214 PolarHBondContact O-N 3Å; T212-L214 VanDerWaalsContact C-N 3.33Å; L214-Y216 HydrophobicContact CB-CD2 4.5Å; L214-Y216 HydrophobicContact CB-CE2 3.97Å; L214-Y216 WeakPolarHBondContact O-CD2 3.22Å; L214-Y216 PolarHBondContact O-N 3.2Å
215P66.1Low71.1Confident36 Ų3677.4 Ų77.423%0.23442%0.415CS..  trans-69.5105177.627-31.6000110.1A226 W227P215-A226 WeakPolarHBondContact O-CA 3.35Å; P215-W227 HydrophobicContact CB-CB 3.99Å; P215-W227 HydrophobicContact CB-CD2 4.4Å; P215-W227 HydrophobicContact CB-CE3 3.71Å; P215-W227 HydrophobicContact CG-CB 3.95Å; P215-W227 PolarHBondContact O-N 3.19Å
216Y66.5Low69.6Low61 Ų6175.7 Ų75.724%0.23941%0.411CS..EExtended strand (participates in β ladder)trans-104.8146.4173.8-63.8-75.8000111.7M127 K211 L214 K218 A224 S225 A226M127-Y216 HydrophobicContact SD-CE1 4.42Å; K211-Y216 WeakPolarHBondContact O-CE2 3.49Å; K211-Y216 PolarHBondContact O-OH 2.78Å; L214-Y216 HydrophobicContact CB-CD2 4.5Å; L214-Y216 HydrophobicContact CB-CE2 3.97Å; L214-Y216 WeakPolarHBondContact O-CD2 3.22Å; L214-Y216 PolarHBondContact O-N 3.2Å; Y216-K218 PolarHBondContact O-N 3.42Å; Y216-A224 HydrophobicContact CD1-CB 4.04Å; Y216-A224 HydrophobicContact CG-CB 4.27Å; Y216-S225 CarbonylContact C-O 3.58Å; Y216-S225 WeakPolarHBondContact CA-O 3.25Å; Y216-A226 HydrophobicContact CD1-CB 4.25Å; Y216-A226 HydrophobicContact CE1-CB 4.37Å
217W52.8Low68.4Low148 Ų14882.5 Ų82.556%0.56144%0.436SS*.EExtended strand (participates in β ladder)trans-73.1117.2157-70.887.2000108.8S225W217-S225 PolarHBondContact N-O 3.35Å
218K49Very low67.9Low190 Ų19084.1 Ų84.183%0.82644%0.444SS*.  trans-88.693.9158.4-77.2-173.1178.7-177.80106.9Y216Y216-K218 PolarHBondContact O-N 3.42Å
219N45.4Very low67.7Low95 Ų9586.9 Ų86.951%0.50846%0.459SS..  trans-87.9131.8164.5-65-13.7000106.9S221 G222N219-S221 PolarHBondContact O-N 2.93Å; N219-G222 PolarHBondContact O-N 2.78Å
220D49Very low67.7Low167 Ų16782.1 Ų82.189%0.89344%0.438SS*.THydrogen-bonded Turntrans-64.216.1-176.7-67.2-37.7000114.4
221S54.3Low68Low124 Ų12482.5 Ų82.587%0.86744%0.437SS*.THydrogen-bonded Turntrans-151.46.4-173.9-32.70000115.1N219N219-S221 PolarHBondContact O-N 2.93Å
222G54.9Low68.5Low54 Ų5481.5 Ų81.556%0.55743%0.433SS*.SBendtrans-148.5171.2-172.900000115.7N219N219-G222 PolarHBondContact O-N 2.78Å
223E54.9Low69.1Low195 Ų19578 Ų7891%0.91142%0.419SS*.  trans-61.7141170.6-68.1-174.8166.400110.4S225E223-S225 PolarHBondContact O-N 3.2Å; E223-S225 VanDerWaalsContact O-N 3.1Å
224A54.8Low70.1Confident47 Ų4774.9 Ų74.939%0.38840%0.399SS..  trans-62.5112.7179.500000110.6Y216Y216-A224 HydrophobicContact CD1-CB 4.04Å; Y216-A224 HydrophobicContact CG-CB 4.27Å
225S57.4Low71Confident60 Ų6075.6 Ų75.642%0.4240%0.402SS..EExtended strand (participates in β ladder)trans-94.5136.1171.358.80000109.8Y216 W217 E223Y216-S225 CarbonylContact C-O 3.58Å; Y216-S225 WeakPolarHBondContact CA-O 3.25Å; W217-S225 PolarHBondContact N-O 3.35Å; E223-S225 PolarHBondContact O-N 3.2Å; E223-S225 VanDerWaalsContact O-N 3.1Å
226A63.2Low72.4Confident11 Ų1177.4 Ų77.49%0.09141%0.41CS..EExtended strand (participates in β ladder)trans-75.5158.6177.100000111.4W126 P215 Y216 Q228W126-A226 HydrophobicContact CB-CB 3.85Å; W126-A226 HydrophobicContact CD2-CB 3.59Å; W126-A226 HydrophobicContact CE3-CB 4.49Å; W126-A226 HydrophobicContact CG-CB 3.26Å; W126-A226 HydrophobicContact CZ2-CB 4.44Å; P215-A226 WeakPolarHBondContact O-CA 3.35Å; Y216-A226 HydrophobicContact CD1-CB 4.25Å; Y216-A226 HydrophobicContact CE1-CB 4.37Å; A226-Q228 PolarHBondContact O-N 3.42Å
227W70Confident73.8Confident146 Ų14679.1 Ų79.155%0.55342%0.42SS*.SBendtrans-62-27.6179-163.8-46.1000112.7H76 P215H76-W227 AromaticContact CD2-CD1 3.85Å; H76-W227 AromaticContact CD2-NE1 3.84Å; H76-W227 AromaticContact NE2-NE1 3.63Å; P215-W227 HydrophobicContact CB-CB 3.99Å; P215-W227 HydrophobicContact CB-CD2 4.4Å; P215-W227 HydrophobicContact CB-CE3 3.71Å; P215-W227 HydrophobicContact CG-CB 3.95Å; P215-W227 PolarHBondContact O-N 3.19Å
228Q85.3Confident75.9Confident33 Ų3376 Ų7615%0.15441%0.411CS..  trans-117.3159.9-171.7-71.6162.6-19.200111.8H75 I124 W126 A226 W231H75-Q228 HydrophobicContact CB-CG 4.42Å; H75-Q228 CarbonylContact O-C 3.59Å; H75-Q228 WeakPolarHBondContact O-CA 3.27Å; H75-Q228 WeakPolarHBondContact O-CB 3.24Å; I124-Q228 HydrophobicContact CD1-CB 4.12Å; W126-Q228 HydrophobicContact CZ2-CB 4.17Å; W126-Q228 PolarHBondContact NE1-O 2.91Å; A226-Q228 PolarHBondContact O-N 3.42Å; Q228-W231 HydrophobicContact CG-CZ3 4.4Å; Q228-W231 VanDerWaalsContact NE2-CZ3 3.3Å
229N90.9Very high78.1Confident62 Ų6273 Ų7333%0.33240%0.403SS..SBendtrans-141.1-9.7-177.9-73-75.7000112.3H75 H76 F77 K123 I124H75-N229 PolarHBondContact O-N 3.29Å; H76-N229 PolarHBondContact O-ND2 2.96Å; F77-N229 VanDerWaalsContact C-CB 3.45Å; K123-N229 WeakPolarHBondContact CA-O 3.48Å; I124-N229 PolarHBondContact N-O 2.9Å
230G94.5Very high80.6Confident0 Ų072.4 Ų72.40%040%0.4CS..EExtended strand (participates in β ladder)trans-129.8157.316700000111.1G74 H75 T122G74-G230 VanDerWaalsContact O-CA 3.31Å; G74-G230 WeakPolarHBondContact O-CA 3.45Å; G74-G230 PolarHBondContact O-N 3.04Å; H75-G230 PolarHBondContact ND1-O 3.39Å; H75-G230 VanDerWaalsContact ND1-O 3.15Å; H75-G230 PolarHBondContact O-N 3.1Å; T122-G230 CarbonylContact O-C 3.54Å; T122-G230 VanDerWaalsContact O-CA 3.23Å; T122-G230 WeakPolarHBondContact O-CA 3.49Å
231W95.4Very high82.9Confident43 Ų4365.1 Ų65.116%0.16336%0.361CS..EExtended strand (participates in β ladder)trans-151.8164.7168.9-151.8-91.5000111.4H75 M121 T122 I124 P150 F206 Q228H75-W231 AromaticContact CE1-CD2 3.75Å; H75-W231 AromaticContact CE1-CE3 3.33Å; H75-W231 AromaticContact CE1-CZ3 3.49Å; H75-W231 VanDerWaalsContact CE1-CZ3 3.49Å; H75-W231 WeakPolarHBondContact CE1-CZ3 3.36Å; H75-W231 AromaticContact ND1-CD2 3.9Å; H75-W231 AromaticContact ND1-CE3 3.07Å; H75-W231 AromaticContact ND1-CZ3 3.28Å; H75-W231 VanDerWaalsContact ND1-CZ3 3.28Å; H75-W231 WeakPolarHBondContact ND1-CZ3 3.33Å; M121-W231 VanDerWaalsContact SD-CA 3.52Å; M121-W231 PolarHBondContact SD-N 2.8Å; T122-W231 PolarHBondContact N-O 3.38Å; T122-W231 PolarHBondContact O-N 2.98Å; I124-W231 HydrophobicContact CD1-CB 4.19Å; I124-W231 HydrophobicContact CG2-CB 3.66Å; P150-W231 HydrophobicContact CG-CG 4.37Å; F206-W231 HydrophobicContact CD2-CG 4.44Å; F206-W231 AromaticContact CE2-CD2 3.8Å; F206-W231 HydrophobicContact CE2-CD2 3.8Å; F206-W231 AromaticContact CE2-CE2 3.92Å; F206-W231 HydrophobicContact CE2-CE3 4.32Å; F206-W231 HydrophobicContact CE2-CG 4.02Å; F206-W231 HydrophobicContact CE2-CZ2 4.47Å; Q228-W231 HydrophobicContact CG-CZ3 4.4Å; Q228-W231 VanDerWaalsContact NE2-CZ3 3.3Å
232H96.8Very high84.9Confident44 Ų4465.7 Ų65.720%0.20434%0.344CS..  trans-137.8172.2179.361.585.9000111.8D71 H75 H119 G120 P150 M241D71-H232 IonicContact OD1-CD2 2.68Å; D71-H232 PolarHBondContact OD1-CD2 2.92Å; D71-H232 IonicContact OD1-NE2 3.55Å; H75-H232 AromaticContact CE1-CD2 3.35Å; H75-H232 PolarHBondContact CE1-CD2 2.71Å; H75-H232 AromaticContact CE1-NE2 3.44Å; H75-H232 PolarHBondContact CE1-NE2 3.4Å; H75-H232 AromaticContact NE2-CD2 3.2Å; H75-H232 PolarHBondContact NE2-CD2 3.49Å; H75-H232 AromaticContact NE2-NE2 3.04Å; H75-H232 PolarHBondContact NE2-NE2 2.96Å; H119-H232 AromaticContact CD2-CE1 4Å; H119-H232 AromaticContact CD2-ND1 3.65Å; H119-H232 AromaticContact CE1-CD2 3.32Å; H119-H232 PolarHBondContact CE1-CD2 3.04Å; H119-H232 AromaticContact CE1-CE1 3.42Å; H119-H232 PolarHBondContact CE1-CE1 3.08Å; H119-H232 VanDerWaalsContact CE1-CE1 3.42Å; H119-H232 AromaticContact CE1-CG 3.25Å; H119-H232 AromaticContact CE1-ND1 3.32Å; H119-H232 PolarHBondContact CE1-ND1 3.21Å; H119-H232 VanDerWaalsContact CE1-ND1 3.32Å; H119-H232 AromaticContact CE1-NE2 3.49Å; H119-H232 PolarHBondContact CE1-NE2 2.99Å; H119-H232 AromaticContact CG-ND1 3.87Å; H119-H232 AromaticContact ND1-CD2 3.86Å; H119-H232 AromaticContact ND1-CG 3.42Å; H119-H232 AromaticContact ND1-ND1 3.67Å; H119-H232 AromaticContact NE2-CD2 3.92Å; H119-H232 AromaticContact NE2-CE1 3.19Å; H119-H232 PolarHBondContact NE2-CE1 2.88Å; H119-H232 AromaticContact NE2-CG 3.71Å; H119-H232 AromaticContact NE2-ND1 3.24Å; H119-H232 PolarHBondContact NE2-ND1 3.24Å; H119-H232 AromaticContact NE2-NE2 3.68Å; G120-H232 WeakPolarHBondContact O-CB 3.44Å; P150-H232 WeakPolarHBondContact CG-O 2.96Å; H232-M241 HydrophobicContact CB-CE 4.22Å; H232-M241 HydrophobicContact CB-SD 4.16Å
233G96.1Very high86.9Confident38 Ų3865 Ų6539%0.39234%0.337SS..  trans103.94.6-178.100000114.5V151 M241V151-G233 WeakPolarHBondContact CG2-O 3.42Å; G233-M241 PolarHBondContact N-SD 3.43Å
234Y97Very high88.8Confident12 Ų1260.3 Ų60.35%0.04731%0.314CS..SBendtrans-63.1178.8167.2-55.6-89.1000111.1T122 I124 P150 A201 E202 G204 W205 N236 M241T122-Y234 HydrophobicContact CG2-CE2 4.22Å; I124-Y234 WeakPolarHBondContact CG2-OH 3.36Å; P150-Y234 HydrophobicContact CB-CD1 3.5Å; P150-Y234 VanDerWaalsContact CB-CD1 3.5Å; P150-Y234 HydrophobicContact CB-CD2 4.07Å; P150-Y234 HydrophobicContact CB-CE1 3.65Å; P150-Y234 HydrophobicContact CB-CE2 4.2Å; P150-Y234 HydrophobicContact CB-CG 3.71Å; P150-Y234 HydrophobicContact CG-CD1 3.84Å; P150-Y234 HydrophobicContact CG-CD2 3.75Å; P150-Y234 HydrophobicContact CG-CE1 3.57Å; P150-Y234 HydrophobicContact CG-CE2 3.47Å; P150-Y234 VanDerWaalsContact CG-CE2 3.47Å; P150-Y234 HydrophobicContact CG-CG 3.91Å; A201-Y234 HydrophobicContact CB-CE1 4.3Å; E202-Y234 WeakPolarHBondContact O-CE1 3.32Å; G204-Y234 WeakPolarHBondContact CA-OH 3.49Å; G204-Y234 PolarHBondContact N-OH 3.33Å; W205-Y234 VanDerWaalsContact O-CE1 3.31Å; W205-Y234 WeakPolarHBondContact O-CE1 3.17Å; W205-Y234 PolarHBondContact O-OH 2.77Å; Y234-N236 PolarHBondContact O-N 3.35Å; Y234-M241 HydrophobicContact CD2-CE 4.01Å; Y234-M241 HydrophobicContact CD2-SD 3.73Å; Y234-M241 HydrophobicContact CG-SD 4.34Å
235D97.1Very high90.8Very high21 Ų2160.5 Ų60.511%0.11231%0.306CS..  trans-51.1129.8174.8-161.9-46.9000112.3R185 F186 E237 F238R185-D235 IonicContact CZ-OD1 3.23Å; R185-D235 IonicContact CZ-OD2 2.99Å; R185-D235 IonicContact NH1-OD1 3.56Å; R185-D235 PolarHBondContact NH1-OD1 3.5Å; R185-D235 IonicContact NH1-OD2 3.97Å; R185-D235 VanDerWaalsContact NH2-CG 3.25Å; R185-D235 IonicContact NH2-OD1 2.63Å; R185-D235 PolarHBondContact NH2-OD1 2.8Å; R185-D235 VanDerWaalsContact NH2-OD1 3.14Å; R185-D235 IonicContact NH2-OD2 3.75Å; R185-D235 PolarHBondContact NH2-OD2 3.33Å; F186-D235 WeakPolarHBondContact CE1-OD2 3.49Å; F186-D235 VanDerWaalsContact CZ-OD2 3.25Å; F186-D235 WeakPolarHBondContact CZ-OD2 3.44Å; D235-E237 PolarHBondContact O-N 2.8Å; D235-E237 VanDerWaalsContact O-N 3.1Å; D235-E237 PolarHBondContact OD1-N 3.38Å; D235-E237 VanDerWaalsContact OD1-N 3.13Å; D235-F238 HydrophobicContact CB-CD2 3.56Å; D235-F238 HydrophobicContact CB-CE2 3.48Å; D235-F238 VanDerWaalsContact CB-CE2 3.48Å; D235-F238 VanDerWaalsContact O-CD2 3.31Å; D235-F238 WeakPolarHBondContact O-CD2 3.28Å; D235-F238 PolarHBondContact O-N 2.88Å
236N96.1Very high92.8Very high75 Ų7562.6 Ų62.640%0.40131%0.312SS..THydrogen-bonded Turntrans-69.5-6.5-174.368.9-27.4000114.5R185 Y234R185-N236 PolarHBondContact NH1-OD1 2.92Å; Y234-N236 PolarHBondContact O-N 3.35Å
237E95.4Very high94.4Very high96 Ų9663.8 Ų63.845%0.44932%0.322SS..THydrogen-bonded Turntrans-82.7-18.2173.8-73.9-172.8159.200113.8R185 D235R185-E237 VanDerWaalsContact CZ-CD 3.5Å; R185-E237 IonicContact CZ-OE1 3.39Å; R185-E237 IonicContact CZ-OE2 3.58Å; R185-E237 VanDerWaalsContact CZ-OE2 3.23Å; R185-E237 IonicContact NE-OE1 3.35Å; R185-E237 IonicContact NE-OE2 3.88Å; R185-E237 PolarHBondContact NE-OE2 3.34Å; R185-E237 IonicContact NH1-OE1 2.77Å; R185-E237 IonicContact NH1-OE2 3.69Å; R185-E237 IonicContact NH2-OE2 3.14Å; D235-E237 PolarHBondContact O-N 2.8Å; D235-E237 VanDerWaalsContact O-N 3.1Å; D235-E237 PolarHBondContact OD1-N 3.38Å; D235-E237 VanDerWaalsContact OD1-N 3.13Å
238F96.5Very high95.6Very high84 Ų8461 Ų6137%0.36832%0.321SS..SBendtrans-64.9138.8174.7-68.9-61.7000111.2P203 D235 D240 M241P203-F238 VanDerWaalsContact CD-CE2 3.4Å; P203-F238 HydrophobicContact CG-CB 4.36Å; P203-F238 HydrophobicContact CG-CD1 3.58Å; P203-F238 HydrophobicContact CG-CD2 3.36Å; P203-F238 HydrophobicContact CG-CE1 3.58Å; P203-F238 HydrophobicContact CG-CE2 3.36Å; P203-F238 HydrophobicContact CG-CG 3.49Å; P203-F238 VanDerWaalsContact CG-CG 3.49Å; P203-F238 HydrophobicContact CG-CZ 3.48Å; P203-F238 VanDerWaalsContact CG-CZ 3.48Å; D235-F238 HydrophobicContact CB-CD2 3.56Å; D235-F238 HydrophobicContact CB-CE2 3.48Å; D235-F238 VanDerWaalsContact CB-CE2 3.48Å; D235-F238 VanDerWaalsContact O-CD2 3.31Å; D235-F238 WeakPolarHBondContact O-CD2 3.28Å; D235-F238 PolarHBondContact O-N 2.88Å; F238-D240 VanDerWaalsContact C-N 3.3Å; F238-D240 PolarHBondContact O-N 2.96Å; F238-M241 HydrophobicContact CB-CG 4.22Å; F238-M241 PolarHBondContact O-N 3.32Å
239L95.8Very high96.1Very high125 Ų12560 Ų6065%0.65432%0.319SS*.G310 helixtrans-59.3-43.4-176.4-175.660000111.5M241 R242L239-M241 PolarHBondContact O-N 3.23Å; L239-R242 WeakPolarHBondContact O-CB 3.21Å; L239-R242 WeakPolarHBondContact O-CG 3.42Å; L239-R242 PolarHBondContact O-N 3.46Å
240D96.8Very high96.4Very high84 Ų8459.3 Ų59.345%0.44932%0.318SS..G310 helixtrans-61.9-22.9178-63.47.9000113.6G120 M121 T122 F238 R242G120-D240 CarbonylContact C-O 3.54Å; G120-D240 VanDerWaalsContact C-O 3.23Å; G120-D240 WeakPolarHBondContact CA-O 3.15Å; M121-D240 PolarHBondContact N-O 2.68Å; T122-D240 WeakPolarHBondContact OG1-CB 3.35Å; T122-D240 PolarHBondContact OG1-OD2 2.7Å; T122-D240 VanDerWaalsContact OG1-OD2 3.11Å; F238-D240 VanDerWaalsContact C-N 3.3Å; F238-D240 PolarHBondContact O-N 2.96Å; D240-R242 VanDerWaalsContact C-N 3.34Å
241M97.6Very high96.4Very high14 Ų1461.4 Ų61.47%0.06933%0.329CS..G310 helixtrans-87.4-5.3178.2-66.8-61.189.900113.1G120 T122 H232 G233 Y234 F238 L239G120-M241 PolarHBondContact N-O 3.43Å; T122-M241 VanDerWaalsContact OG1-CE 3.22Å; T122-M241 WeakPolarHBondContact OG1-CE 3.39Å; H232-M241 HydrophobicContact CB-CE 4.22Å; H232-M241 HydrophobicContact CB-SD 4.16Å; G233-M241 PolarHBondContact N-SD 3.43Å; Y234-M241 HydrophobicContact CD2-CE 4.01Å; Y234-M241 HydrophobicContact CD2-SD 3.73Å; Y234-M241 HydrophobicContact CG-SD 4.34Å; F238-M241 HydrophobicContact CB-CG 4.22Å; F238-M241 PolarHBondContact O-N 3.32Å; L239-M241 PolarHBondContact O-N 3.23Å
242R96.7Very high96.5Very high135 Ų13559.7 Ų59.751%0.50932%0.323SS..  trans-76129.5179.1-59.8-171.6-170.9179.8-1.3110L239 D240L239-R242 WeakPolarHBondContact O-CB 3.21Å; L239-R242 WeakPolarHBondContact O-CG 3.42Å; L239-R242 PolarHBondContact O-N 3.46Å; D240-R242 VanDerWaalsContact C-N 3.34Å
243G95.9Very high96.5Very high40 Ų4062 Ų6241%0.41233%0.332SS..  trans-78.2178.5165.800000112.8S117S117-G243 WeakPolarHBondContact OG-CA 3.37Å
244F95.9Very high96.5Very high97 Ų9768.2 Ų68.243%0.42535%0.348SS..  trans-104.7161.717373.8-91000111.6L115 F116 S117 L246L115-F244 HydrophobicContact CB-CE2 3.97Å; F116-F244 WeakPolarHBondContact CA-O 3.42Å; F116-F244 VanDerWaalsContact CB-O 3.26Å; F116-F244 WeakPolarHBondContact CB-O 3.26Å; S117-F244 PolarHBondContact N-O 3.39Å; S117-F244 VanDerWaalsContact N-O 3.15Å; S117-F244 PolarHBondContact OG-N 2.97Å; S117-F244 VanDerWaalsContact OG-N 3.12Å; F244-L246 HydrophobicContact CD2-CD1 4.28Å; F244-L246 HydrophobicContact CD2-CG 4.13Å; F244-L246 HydrophobicContact CE2-CD1 4.35Å
245F97.6Very high96.4Very high50 Ų5076 Ų7622%0.21939%0.391CS..EExtended strand (participates in β ladder)trans-144128.4170.5179-91.6000109.5M114 L115 F116 A247 I261 V266 L269 L291M114-F245 HydrophobicContact CB-CE2 4.44Å; M114-F245 HydrophobicContact SD-CE2 4.42Å; M114-F245 HydrophobicContact SD-CZ 4.34Å; L115-F245 CarbonylContact O-C 3.51Å; L115-F245 WeakPolarHBondContact O-CA 3.29Å; F116-F245 HydrophobicContact CB-CB 4.43Å; F116-F245 HydrophobicContact CB-CD2 3.87Å; F116-F245 HydrophobicContact CG-CD2 4.46Å; F245-A247 HydrophobicContact CE1-CB 3.86Å; F245-A247 HydrophobicContact CZ-CB 3.89Å; F245-I261 HydrophobicContact CB-CD1 4.3Å; F245-I261 HydrophobicContact CD1-CD1 3.95Å; F245-I261 HydrophobicContact CD2-CD1 4.03Å; F245-I261 HydrophobicContact CE1-CD1 4.3Å; F245-I261 HydrophobicContact CE2-CD1 4.4Å; F245-I261 HydrophobicContact CG-CD1 3.82Å; F245-V266 HydrophobicContact CD2-CG2 3.85Å; F245-V266 HydrophobicContact CE2-CG1 4.09Å; F245-V266 HydrophobicContact CE2-CG2 3.84Å; F245-L269 HydrophobicContact CE1-CD1 4.24Å; F245-L269 HydrophobicContact CE2-CD1 4.28Å; F245-L269 HydrophobicContact CZ-CD1 3.62Å; F245-L291 HydrophobicContact CE1-CD1 4.27Å
246L97.4Very high96.3Very high105 Ų10578.2 Ų78.255%0.5541%0.405SS..EExtended strand (participates in β ladder)trans-133.7141.9175.1-58.5172.3000108M114 L115 F244M114-L246 CarbonylContact C-O 3.46Å; M114-L246 WeakPolarHBondContact CA-O 3.2Å; L115-L246 HydrophobicContact CB-CB 4.38Å; L115-L246 PolarHBondContact N-O 3.03Å; L115-L246 PolarHBondContact O-N 3.05Å; F244-L246 HydrophobicContact CD2-CD1 4.28Å; F244-L246 HydrophobicContact CD2-CG 4.13Å; F244-L246 HydrophobicContact CE2-CD1 4.35Å
247A97.3Very high96.3Very high36 Ų3686.3 Ų86.330%0.29843%0.43SS..EExtended strand (participates in β ladder)trans-143.6143.1174.800000110.6V113 M114 F245 F252V113-A247 CarbonylContact O-C 3.55Å; V113-A247 VanDerWaalsContact O-CA 3.29Å; V113-A247 WeakPolarHBondContact O-CA 3.35Å; M114-A247 HydrophobicContact CG-CB 4.2Å; F245-A247 HydrophobicContact CE1-CB 3.86Å; F245-A247 HydrophobicContact CZ-CB 3.89Å; A247-F252 HydrophobicContact CB-CD1 3.79Å; A247-F252 HydrophobicContact CB-CD2 3.94Å; A247-F252 HydrophobicContact CB-CE1 3.71Å; A247-F252 HydrophobicContact CB-CE2 3.85Å; A247-F252 HydrophobicContact CB-CG 3.9Å; A247-F252 HydrophobicContact CB-CZ 3.73Å
248V96.3Very high96.1Very high87 Ų8784 Ų8453%0.52743%0.427SS..EExtended strand (participates in β ladder)trans-146.1144.2176.963.70000109.4V113V113-V248 HydrophobicContact CB-CG1 3.98Å; V113-V248 HydrophobicContact CG2-CG1 4.47Å; V113-V248 PolarHBondContact N-O 2.97Å; V113-V248 PolarHBondContact O-N 3.21Å
249G95.6Very high96Very high11 Ų1183 Ų8311%0.11344%0.435CS..SBendtrans154.3177.7178.200000112.2L111 N112 D251 F252L111-G249 WeakPolarHBondContact O-CA 3.48Å; N112-G249 WeakPolarHBondContact OD1-CA 3.1Å; G249-D251 PolarHBondContact O-N 3.33Å; G249-F252 PolarHBondContact O-N 3.4Å
250P95.6Very high96Very high48 Ų4882.2 Ų82.231%0.31244%0.437SS..THydrogen-bonded Turntrans-60.2-30.4178.925-34.9000113L111 N112 N293L111-P250 WeakPolarHBondContact O-CD 3.39Å; N112-P250 VanDerWaalsContact OD1-CD 3.3Å; N112-P250 WeakPolarHBondContact OD1-CD 3.37Å; P250-N293 PolarHBondContact O-ND2 3.3Å
251D96.4Very high95.9Very high44 Ų4480 Ų8024%0.23542%0.424CS..THydrogen-bonded Turntrans-85.7-15.4-175.6-70.5-14.8000113.6N112 G249 W272 T273 L292 N293N112-D251 PolarHBondContact ND2-OD2 2.89Å; N112-D251 WeakPolarHBondContact OD1-CB 3.37Å; N112-D251 PolarHBondContact OD1-N 2.94Å; G249-D251 PolarHBondContact O-N 3.33Å; D251-W272 HydrophobicContact CB-CZ3 3.73Å; D251-T273 HydrophobicContact CB-CG2 4.11Å; D251-L292 HydrophobicContact CB-CD2 4.34Å; D251-L292 CarbonylContact O-C 3.23Å; D251-L292 WeakPolarHBondContact O-CA 3.49Å; D251-L292 WeakPolarHBondContact O-CD2 3.36Å; D251-N293 PolarHBondContact O-N 3.45Å
252F97.1Very high95.8Very high7 Ų784.7 Ų84.73%0.03144%0.442CS..BIsolated β-bridgetrans-96.9140.8-177.4-70.8-76.2000112N112 M114 A247 G249 L269 T273 L291 L292 N293N112-F252 HydrophobicContact CB-CE2 4.15Å; M114-F252 HydrophobicContact CE-CE2 3.91Å; M114-F252 HydrophobicContact CE-CZ 3.52Å; M114-F252 HydrophobicContact CG-CE2 4.09Å; M114-F252 HydrophobicContact CG-CZ 3.97Å; M114-F252 HydrophobicContact SD-CE2 4.49Å; M114-F252 HydrophobicContact SD-CZ 3.88Å; A247-F252 HydrophobicContact CB-CD1 3.79Å; A247-F252 HydrophobicContact CB-CD2 3.94Å; A247-F252 HydrophobicContact CB-CE1 3.71Å; A247-F252 HydrophobicContact CB-CE2 3.85Å; A247-F252 HydrophobicContact CB-CG 3.9Å; A247-F252 HydrophobicContact CB-CZ 3.73Å; G249-F252 PolarHBondContact O-N 3.4Å; F252-L269 HydrophobicContact CE1-CD2 4.29Å; F252-T273 HydrophobicContact CE2-CG2 3.94Å; F252-T273 HydrophobicContact CZ-CG2 3.97Å; F252-L291 HydrophobicContact CD1-CB 4.39Å; F252-L292 HydrophobicContact CD1-CD2 3.79Å; F252-L292 HydrophobicContact CE1-CD2 3.61Å; F252-L292 HydrophobicContact CG-CD2 4.42Å; F252-L292 HydrophobicContact CZ-CD2 4.1Å; F252-N293 PolarHBondContact O-ND2 2.63Å
253K96.4Very high95.8Very high93 Ų9382 Ų8240%0.40444%0.443SS..PPolyproline II helixtrans-63.4137.9170.1-73.9-178.9-175.6149.70110.4V256 Y290 L291 L292 N293K253-V256 HydrophobicContact CB-CB 4.49Å; K253-V256 HydrophobicContact CB-CG2 3.5Å; K253-V256 VanDerWaalsContact CB-CG2 3.5Å; K253-V256 HydrophobicContact CD-CG2 4.22Å; K253-Y290 VanDerWaalsContact CD-O 3.32Å; K253-Y290 WeakPolarHBondContact CD-O 3.3Å; K253-Y290 WeakPolarHBondContact CE-O 3.33Å; K253-Y290 PolarHBondContact NZ-O 3.05Å; K253-L291 PolarHBondContact N-O 3.06Å; K253-L292 WeakPolarHBondContact CE-O 3.16Å; K253-N293 VanDerWaalsContact CA-OD1 3.26Å; K253-N293 WeakPolarHBondContact CA-OD1 3.24Å; K253-N293 WeakPolarHBondContact CG-OD1 3.49Å; K253-N293 PolarHBondContact N-OD1 2.92Å
254K95.3Very high95.8Very high168 Ų16883.2 Ų83.273%0.7344%0.443SS*.THydrogen-bonded Turntrans-83.1148.3176.7-60.3-178.1-178.1-179.20110.5V256K254-V256 VanDerWaalsContact C-N 3.28Å; K254-V256 PolarHBondContact O-N 3.2Å
255N94.9Very high95.8Very high176 Ų17678.6 Ų78.694%0.94142%0.423SS*.THydrogen-bonded Turntrans57.834175.4-56.3-37.2000114.7
256V95.8Very high95.7Very high67 Ų6776.4 Ų76.441%0.40641%0.413SS..  trans-98.9127176.3174.70000110.3K253 K254 Y290 L291K253-V256 HydrophobicContact CB-CB 4.49Å; K253-V256 HydrophobicContact CB-CG2 3.5Å; K253-V256 VanDerWaalsContact CB-CG2 3.5Å; K253-V256 HydrophobicContact CD-CG2 4.22Å; K254-V256 VanDerWaalsContact C-N 3.28Å; K254-V256 PolarHBondContact O-N 3.2Å; V256-Y290 HydrophobicContact CG1-CE2 4.16Å; V256-L291 HydrophobicContact CG1-CD2 4.19Å
257R95.8Very high95.6Very high246 Ų24672.6 Ų72.693%0.92839%0.392SS*.  trans-100.1111164.5-173175-176.8177.61.5108.9
258A91.9Very high95.5Very high46 Ų4671.5 Ų71.538%0.3838%0.381SS..PPolyproline II helixtrans-73.7151.4-177.600000112.9Y290 L291A258-Y290 WeakPolarHBondContact CA-OH 3.19Å; A258-Y290 HydrophobicContact CB-CE2 4.41Å; A258-Y290 WeakPolarHBondContact CB-OH 3.12Å; A258-L291 HydrophobicContact CB-CD2 3.7Å
259A94.1Very high95.4Very high65 Ų6567.4 Ų67.454%0.53736%0.356SS..PPolyproline II helixtrans-68.4161.2155.600000109.6I261 Y290A259-I261 PolarHBondContact O-N 3.29Å; A259-Y290 PolarHBondContact N-OH 2.93Å
260P94.8Very high95.4Very high107 Ų10767.3 Ų67.370%0.69535%0.353SS*.PPolyproline II helixtrans-57.4130.3178.3-25.134.8000112.5
261I96.2Very high95.3Very high37 Ų3765 Ų6519%0.1934%0.338CS..PPolyproline II helixtrans-101.4170.3171.267.4171.8000109.8F245 A259 V266 V288F245-I261 HydrophobicContact CB-CD1 4.3Å; F245-I261 HydrophobicContact CD1-CD1 3.95Å; F245-I261 HydrophobicContact CD2-CD1 4.03Å; F245-I261 HydrophobicContact CE1-CD1 4.3Å; F245-I261 HydrophobicContact CE2-CD1 4.4Å; F245-I261 HydrophobicContact CG-CD1 3.82Å; A259-I261 PolarHBondContact O-N 3.29Å; I261-V266 HydrophobicContact CD1-CG2 4.03Å; I261-V288 HydrophobicContact CB-CG1 4.17Å; I261-V288 HydrophobicContact CD1-CG1 4.2Å; I261-V288 HydrophobicContact CG2-CG1 3.86Å
262R95.8Very high95.1Very high114 Ų11464.7 Ų64.743%0.4333%0.333SS..PPolyproline II helixtrans-99147.2170.7-58.8-63.7-170.7164.61.4109.1V264 D265R262-V264 HydrophobicContact CB-CG2 3.77Å; R262-V264 PolarHBondContact O-N 3.04Å; R262-V264 VanDerWaalsContact O-N 3.14Å; R262-D265 WeakPolarHBondContact CA-OD2 3.43Å; R262-D265 WeakPolarHBondContact CB-OD2 3.23Å; R262-D265 PolarHBondContact N-OD2 2.9Å; R262-D265 VanDerWaalsContact O-CB 3.25Å; R262-D265 WeakPolarHBondContact O-CB 3.36Å; R262-D265 PolarHBondContact O-N 3.23Å
263S95.3Very high95Very high78 Ų7865.6 Ų65.655%0.54534%0.34SS..G310 helixtrans-55.7-33.7177.654.30000112.4M1 D265 V266M1-S263 WeakPolarHBondContact CE-O 3.39Å; S263-D265 PolarHBondContact O-N 2.77Å; S263-D265 VanDerWaalsContact O-N 3.17Å; S263-V266 PolarHBondContact O-N 2.83Å
264V95.6Very high94.7Very high66 Ų6662.8 Ų62.840%0.433%0.329SS..G310 helixtrans-62.3-18.6174.8-63.60000114.3R262 G283R262-V264 HydrophobicContact CB-CG2 3.77Å; R262-V264 PolarHBondContact O-N 3.04Å; R262-V264 VanDerWaalsContact O-N 3.14Å; V264-G283 VanDerWaalsContact O-CA 3.29Å; V264-G283 WeakPolarHBondContact O-CA 3.06Å
265D96.3Very high94.5Very high0 Ų057.2 Ų57.20%032%0.319CS..G310 helixtrans-79.4-25.2-179.4-55.3-34.7000112.7R262 S263 Y267 N268 L269 G283 S284 R287 V288R262-D265 WeakPolarHBondContact CA-OD2 3.43Å; R262-D265 WeakPolarHBondContact CB-OD2 3.23Å; R262-D265 PolarHBondContact N-OD2 2.9Å; R262-D265 VanDerWaalsContact O-CB 3.25Å; R262-D265 WeakPolarHBondContact O-CB 3.36Å; R262-D265 PolarHBondContact O-N 3.23Å; S263-D265 PolarHBondContact O-N 2.77Å; S263-D265 VanDerWaalsContact O-N 3.17Å; D265-Y267 PolarHBondContact O-N 2.94Å; D265-N268 WeakPolarHBondContact O-CB 3.49Å; D265-N268 PolarHBondContact O-N 3.12Å; D265-L269 PolarHBondContact O-N 2.92Å; D265-G283 VanDerWaalsContact OD1-CA 3.29Å; D265-G283 WeakPolarHBondContact OD1-CA 3.32Å; D265-S284 PolarHBondContact OD1-N 3.38Å; D265-R287 IonicContact OD1-CZ 3.43Å; D265-R287 IonicContact OD1-NE 2.72Å; D265-R287 PolarHBondContact OD1-NE 3.23Å; D265-R287 IonicContact OD1-NH2 3.32Å; D265-R287 PolarHBondContact OD1-NH2 2.72Å; D265-R287 IonicContact OD2-CZ 3.29Å; D265-R287 IonicContact OD2-NE 2.64Å; D265-R287 PolarHBondContact OD2-NE 2.61Å; D265-R287 IonicContact OD2-NH2 3.4Å; D265-R287 PolarHBondContact OD2-NH2 2.71Å; D265-V288 HydrophobicContact CB-CG1 3.51Å; D265-V288 HydrophobicContact CB-CG2 4.46Å
266V96.3Very high94.2Very high4 Ų449.7 Ų49.72%0.02428%0.279CS..Hα-helixtrans-63.7-31.3-174.6174.60000111.5M1 F116 F245 I261 S263 N268 L269 M270M1-V266 HydrophobicContact CE-CB 3.58Å; M1-V266 HydrophobicContact CE-CG1 4Å; M1-V266 HydrophobicContact CE-CG2 4.4Å; M1-V266 HydrophobicContact SD-CB 4.49Å; M1-V266 HydrophobicContact SD-CG1 4.35Å; F116-V266 HydrophobicContact CD1-CG1 4.18Å; F116-V266 HydrophobicContact CE1-CG1 3.99Å; F116-V266 HydrophobicContact CZ-CG1 4.29Å; F245-V266 HydrophobicContact CD2-CG2 3.85Å; F245-V266 HydrophobicContact CE2-CG1 4.09Å; F245-V266 HydrophobicContact CE2-CG2 3.84Å; I261-V266 HydrophobicContact CD1-CG2 4.03Å; S263-V266 PolarHBondContact O-N 2.83Å; V266-N268 VanDerWaalsContact C-N 3.26Å; V266-N268 PolarHBondContact O-N 3.33Å; V266-L269 WeakPolarHBondContact O-CB 3.46Å; V266-L269 PolarHBondContact O-N 2.81Å; V266-L269 VanDerWaalsContact O-N 3.13Å; V266-M270 HydrophobicContact CG1-CE 3.55Å; V266-M270 HydrophobicContact CG1-CG 4.34Å; V266-M270 HydrophobicContact CG1-SD 3.94Å; V266-M270 WeakPolarHBondContact O-CG 3.18Å; V266-M270 PolarHBondContact O-N 3.2Å
267Y94.6Very high93.8Very high24 Ų2452.7 Ų52.79%0.09429%0.288CS..Hα-helixtrans-57.6-39174.1175.2-103.8000112.5D265 M270 C271 P278 L279 N281D265-Y267 PolarHBondContact O-N 2.94Å; Y267-M270 PolarHBondContact O-N 2.87Å; Y267-C271 PolarHBondContact O-N 3.18Å; Y267-C271 PolarHBondContact O-SG 3.15Å; Y267-P278 HydrophobicContact CD1-CB 4.38Å; Y267-P278 HydrophobicContact CE1-CB 3.75Å; Y267-L279 PolarHBondContact OH-N 3.44Å; Y267-L279 VanDerWaalsContact OH-N 3.13Å; Y267-N281 HydrophobicContact CD1-CB 3.99Å; Y267-N281 HydrophobicContact CE1-CB 4.22Å
268N94.6Very high93.5Very high14 Ų1443.9 Ų43.98%0.07526%0.263CS..Hα-helixtrans-69.9-35.9178.5-66.2-40.7000111.7D265 V266 W272 N281 G283 W285D265-N268 WeakPolarHBondContact O-CB 3.49Å; D265-N268 PolarHBondContact O-N 3.12Å; V266-N268 VanDerWaalsContact C-N 3.26Å; V266-N268 PolarHBondContact O-N 3.33Å; N268-W272 WeakPolarHBondContact O-CB 3.26Å; N268-W272 PolarHBondContact O-N 3.29Å; N268-N281 PolarHBondContact ND2-OD1 3.21Å; N268-N281 PolarHBondContact OD1-ND2 2.98Å; N268-N281 PolarHBondContact OD1-OD1 2.85Å; N268-G283 WeakPolarHBondContact ND2-CA 3.47Å; N268-G283 PolarHBondContact ND2-O 3.43Å; N268-W285 HydrophobicContact CB-CE3 3.97Å; N268-W285 HydrophobicContact CB-CZ3 4.3Å
269L95.5Very high93.4Very high0 Ų045 Ų450%026%0.262CS..Hα-helixtrans-62.7-47.8172.8-72.5174.7000110.9M114 F245 F252 D265 V266 C271 W272 T273 W285 V288 L291 L292M114-L269 HydrophobicContact CE-CB 4.13Å; M114-L269 HydrophobicContact SD-CB 4.08Å; F245-L269 HydrophobicContact CE1-CD1 4.24Å; F245-L269 HydrophobicContact CE2-CD1 4.28Å; F245-L269 HydrophobicContact CZ-CD1 3.62Å; F252-L269 HydrophobicContact CE1-CD2 4.29Å; D265-L269 PolarHBondContact O-N 2.92Å; V266-L269 WeakPolarHBondContact O-CB 3.46Å; V266-L269 PolarHBondContact O-N 2.81Å; V266-L269 VanDerWaalsContact O-N 3.13Å; L269-C271 PolarHBondContact O-N 3.45Å; L269-W272 PolarHBondContact O-N 3.27Å; L269-T273 WeakPolarHBondContact O-CG2 3.38Å; L269-T273 PolarHBondContact O-N 2.73Å; L269-T273 PolarHBondContact O-OG1 2.83Å; L269-T273 VanDerWaalsContact O-OG1 3.08Å; L269-W285 HydrophobicContact CD2-CZ3 4.46Å; L269-V288 HydrophobicContact CD1-CB 4Å; L269-V288 HydrophobicContact CD1-CG1 4.06Å; L269-V288 HydrophobicContact CD2-CB 3.82Å; L269-V288 HydrophobicContact CD2-CG2 4.03Å; L269-V288 HydrophobicContact CG-CB 3.83Å; L269-V288 HydrophobicContact CG-CG1 4.28Å; L269-V288 HydrophobicContact CG-CG2 3.99Å; L269-L291 HydrophobicContact CD1-CD1 4.05Å; L269-L292 HydrophobicContact CD2-CD1 3.86Å; L269-L292 HydrophobicContact CD2-CD2 4.2Å; L269-L292 HydrophobicContact CD2-CG 4.04Å
270M94.9Very high93.3Very high10 Ų1048.4 Ų48.45%0.04928%0.279CS..Hα-helixtrans-56.8-49.3177.7-68.9159.2164.400111.4M1 L3 M114 F116 V266 Y267 W272 T273 L274M1-M270 HydrophobicContact SD-CE 3.95Å; M1-M270 HydrophobicContact SD-SD 3.97Å; L3-M270 HydrophobicContact CD1-CE 3.95Å; L3-M270 HydrophobicContact CD2-CE 3.78Å; L3-M270 HydrophobicContact CD2-CG 4.47Å; L3-M270 HydrophobicContact CD2-SD 3.32Å; L3-M270 WeakPolarHBondContact CD2-SD 3.46Å; L3-M270 HydrophobicContact CG-CE 4.25Å; L3-M270 HydrophobicContact CG-SD 4.16Å; M114-M270 HydrophobicContact CE-CG 4.22Å; M114-M270 HydrophobicContact SD-CG 4.14Å; F116-M270 HydrophobicContact CE1-CE 3.41Å; F116-M270 VanDerWaalsContact CE1-CE 3.41Å; F116-M270 HydrophobicContact CZ-CE 3.55Å; V266-M270 HydrophobicContact CG1-CE 3.55Å; V266-M270 HydrophobicContact CG1-CG 4.34Å; V266-M270 HydrophobicContact CG1-SD 3.94Å; V266-M270 WeakPolarHBondContact O-CG 3.18Å; V266-M270 PolarHBondContact O-N 3.2Å; Y267-M270 PolarHBondContact O-N 2.87Å; M270-W272 VanDerWaalsContact C-N 3.34Å; M270-W272 PolarHBondContact O-N 3.47Å; M270-T273 PolarHBondContact O-N 3.12Å; M270-T273 PolarHBondContact O-OG1 3.49Å; M270-L274 WeakPolarHBondContact O-CB 3.38Å; M270-L274 WeakPolarHBondContact O-CD1 3.41Å; M270-L274 VanDerWaalsContact O-CG 3.3Å; M270-L274 WeakPolarHBondContact O-CG 3.35Å; M270-L274 PolarHBondContact O-N 2.85Å; M270-L274 VanDerWaalsContact O-N 3.08Å
271C93.3Very high93.2Very high0 Ų045.9 Ų45.90%026%0.26CS..Hα-helixtrans-59.9-44.6178.3-68.30000111.9Y267 L269 L274 G275 V276 P278Y267-C271 PolarHBondContact O-N 3.18Å; Y267-C271 PolarHBondContact O-SG 3.15Å; L269-C271 PolarHBondContact O-N 3.45Å; C271-L274 PolarHBondContact O-N 3.36Å; C271-G275 PolarHBondContact O-N 3.16Å; C271-G275 VanDerWaalsContact O-N 3.1Å; C271-V276 HydrophobicContact CB-CG2 3.7Å; C271-V276 WeakPolarHBondContact O-CG2 3.31Å; C271-V276 PolarHBondContact O-N 2.83Å; C271-P278 HydrophobicContact CB-CB 4.01Å
272W93.4Very high93.2Very high37 Ų3750.2 Ų50.214%0.1428%0.283CS..Hα-helixtrans-63.2-46-180-169.9100.8000111.8D251 N268 L269 M270 L274 G275 W285 L292D251-W272 HydrophobicContact CB-CZ3 3.73Å; N268-W272 WeakPolarHBondContact O-CB 3.26Å; N268-W272 PolarHBondContact O-N 3.29Å; L269-W272 PolarHBondContact O-N 3.27Å; M270-W272 VanDerWaalsContact C-N 3.34Å; M270-W272 PolarHBondContact O-N 3.47Å; W272-L274 PolarHBondContact O-N 3.01Å; W272-G275 PolarHBondContact O-N 3.39Å; W272-W285 HydrophobicContact CB-CH2 3.87Å; W272-W285 HydrophobicContact CB-CZ3 4.11Å; W272-W285 AromaticContact CD1-CH2 3.28Å; W272-W285 AromaticContact CD1-CZ2 3.68Å; W272-W285 HydrophobicContact CD2-CH2 4.31Å; W272-W285 AromaticContact CG-CH2 3.57Å; W272-W285 HydrophobicContact CG-CH2 3.57Å; W272-W285 HydrophobicContact CG-CZ2 4.36Å; W272-W285 HydrophobicContact CG-CZ3 4.3Å; W272-W285 AromaticContact NE1-CH2 3.84Å; W272-W285 AromaticContact NE1-CZ2 3.88Å; W272-L292 HydrophobicContact CB-CD1 4.49Å; W272-L292 HydrophobicContact CD2-CD1 3.58Å; W272-L292 HydrophobicContact CE3-CD1 3.72Å; W272-L292 HydrophobicContact CE3-CD2 3.87Å; W272-L292 HydrophobicContact CE3-CG 4.31Å; W272-L292 HydrophobicContact CG-CD1 3.96Å; W272-L292 HydrophobicContact CH2-CB 4.31Å; W272-L292 HydrophobicContact CH2-CD1 4.47Å; W272-L292 HydrophobicContact CZ2-CD1 4.34Å; W272-L292 HydrophobicContact CZ3-CB 4.43Å; W272-L292 HydrophobicContact CZ3-CD1 4.2Å; W272-L292 HydrophobicContact CZ3-CD2 3.95Å; W272-L292 HydrophobicContact CZ3-CG 4.42Å
273T93.5Very high93.2Very high26 Ų2645.5 Ų45.516%0.1627%0.27CS..Hα-helixtrans-67.6-21178.952.60000113.5N112 M114 D251 F252 L269 M270 L292N112-T273 HydrophobicContact CB-CG2 4.49Å; M114-T273 HydrophobicContact CE-CG2 3.7Å; M114-T273 VanDerWaalsContact CE-OG1 3.25Å; M114-T273 WeakPolarHBondContact CE-OG1 3.09Å; D251-T273 HydrophobicContact CB-CG2 4.11Å; F252-T273 HydrophobicContact CE2-CG2 3.94Å; F252-T273 HydrophobicContact CZ-CG2 3.97Å; L269-T273 WeakPolarHBondContact O-CG2 3.38Å; L269-T273 PolarHBondContact O-N 2.73Å; L269-T273 PolarHBondContact O-OG1 2.83Å; L269-T273 VanDerWaalsContact O-OG1 3.08Å; M270-T273 PolarHBondContact O-N 3.12Å; M270-T273 PolarHBondContact O-OG1 3.49Å; T273-L292 HydrophobicContact CG2-CD2 4.3Å
274L91.8Very high93.2Very high34 Ų3443.6 Ų43.618%0.17826%0.257CS..THydrogen-bonded Turntrans-91.4-5.6174.4-69.4168.1000112.6V5 D61 M62 M270 C271 W272 V276V5-L274 HydrophobicContact CB-CD1 4.16Å; V5-L274 HydrophobicContact CG1-CD1 3.84Å; V5-L274 HydrophobicContact CG2-CD1 3.69Å; D61-L274 WeakPolarHBondContact O-CD2 3.21Å; M62-L274 HydrophobicContact CB-CD1 4.1Å; M62-L274 HydrophobicContact CB-CD2 4.02Å; M62-L274 HydrophobicContact CG-CD1 4.04Å; M62-L274 HydrophobicContact CG-CD2 4.43Å; M62-L274 HydrophobicContact SD-CD1 4.2Å; M270-L274 WeakPolarHBondContact O-CB 3.38Å; M270-L274 WeakPolarHBondContact O-CD1 3.41Å; M270-L274 VanDerWaalsContact O-CG 3.3Å; M270-L274 WeakPolarHBondContact O-CG 3.35Å; M270-L274 PolarHBondContact O-N 2.85Å; M270-L274 VanDerWaalsContact O-N 3.08Å; C271-L274 PolarHBondContact O-N 3.36Å; W272-L274 PolarHBondContact O-N 3.01Å; L274-V276 VanDerWaalsContact C-N 3.28Å; L274-V276 HydrophobicContact CB-CG1 4.34Å; L274-V276 HydrophobicContact CB-CG2 4.24Å; L274-V276 PolarHBondContact O-N 3.36Å
275G90.4Very high93.2Very high50 Ų5044.8 Ų44.852%0.51525%0.254SS..THydrogen-bonded Turntrans69.821.9-177.300000114.1C271 W272C271-G275 PolarHBondContact O-N 3.16Å; C271-G275 VanDerWaalsContact O-N 3.1Å; W272-G275 PolarHBondContact O-N 3.39Å
276V88.1Confident93.1Very high18 Ų1848.9 Ų48.911%0.10928%0.283CS..  trans-104.2157-179.2-59.70000112.6V5 H10 C271 L274V5-V276 HydrophobicContact CG1-CB 4.04Å; V5-V276 HydrophobicContact CG1-CG1 3.97Å; V5-V276 HydrophobicContact CG1-CG2 3.15Å; H10-V276 WeakPolarHBondContact CD2-CG1 3.36Å; H10-V276 WeakPolarHBondContact NE2-CG1 3.11Å; C271-V276 HydrophobicContact CB-CG2 3.7Å; C271-V276 WeakPolarHBondContact O-CG2 3.31Å; C271-V276 PolarHBondContact O-N 2.83Å; L274-V276 VanDerWaalsContact C-N 3.28Å; L274-V276 HydrophobicContact CB-CG1 4.34Å; L274-V276 HydrophobicContact CB-CG2 4.24Å; L274-V276 PolarHBondContact O-N 3.36Å
277H87.8Confident93.1Very high131 Ų13152.7 Ų52.761%0.60630%0.297SS*.PPolyproline II helixtrans-78.1124.7171.7-72.4-77.3000110.8L299H277-L299 WeakPolarHBondContact CE1-CD2 3.17Å; H277-L299 WeakPolarHBondContact NE2-CD2 3.46Å
278P89.9Confident93.2Very high61 Ų6151.6 Ų51.640%0.39629%0.292SS..PPolyproline II helixtrans-67.1138.6176.227.6-33.6000110.6Y267 C271Y267-P278 HydrophobicContact CD1-CB 4.38Å; Y267-P278 HydrophobicContact CE1-CB 3.75Å; C271-P278 HydrophobicContact CB-CB 4.01Å
279L89.2Confident93.2Very high70 Ų7055.1 Ų55.137%0.36631%0.309SS..PPolyproline II helixtrans-66162.9166.1-72.6-172000111.2T6 Y267 N281T6-L279 HydrophobicContact CG2-CD1 3.8Å; T6-L279 WeakPolarHBondContact OG1-CD1 3.15Å; T6-L279 WeakPolarHBondContact OG1-CG 3.05Å; Y267-L279 PolarHBondContact OH-N 3.44Å; Y267-L279 VanDerWaalsContact OH-N 3.13Å; L279-N281 PolarHBondContact O-N 3.42Å; L279-N281 VanDerWaalsContact O-N 3.09Å; L279-N281 PolarHBondContact O-ND2 3.46Å
280P92.1Very high93.1Very high135 Ų13558.8 Ų58.888%0.87732%0.323SS*.SBendtrans-51119.4173.5-27.735.8000111.9
281N93.6Very high93.2Very high55 Ų5559 Ų5929%0.29432%0.324SS..  trans-145174.1-17772.484.2000111Y267 N268 L279 G283Y267-N281 HydrophobicContact CD1-CB 3.99Å; Y267-N281 HydrophobicContact CE1-CB 4.22Å; N268-N281 PolarHBondContact ND2-OD1 3.21Å; N268-N281 PolarHBondContact OD1-ND2 2.98Å; N268-N281 PolarHBondContact OD1-OD1 2.85Å; L279-N281 PolarHBondContact O-N 3.42Å; L279-N281 VanDerWaalsContact O-N 3.09Å; L279-N281 PolarHBondContact O-ND2 3.46Å; N281-G283 WeakPolarHBondContact OD1-CA 3.22Å; N281-G283 PolarHBondContact OD1-N 3.02Å
282N94.9Very high93.3Very high127 Ų12759.2 Ų59.268%0.67933%0.325SS*.SBendtrans-102.24-177.9-57.1121.4000114.1
283G95.8Very high93.1Very high15 Ų1560.9 Ų60.916%0.15534%0.337CS..  trans-65.9149.1172.100000111.3V264 D265 N268 N281V264-G283 VanDerWaalsContact O-CA 3.29Å; V264-G283 WeakPolarHBondContact O-CA 3.06Å; D265-G283 VanDerWaalsContact OD1-CA 3.29Å; D265-G283 WeakPolarHBondContact OD1-CA 3.32Å; N268-G283 WeakPolarHBondContact ND2-CA 3.47Å; N268-G283 PolarHBondContact ND2-O 3.43Å; N281-G283 WeakPolarHBondContact OD1-CA 3.22Å; N281-G283 PolarHBondContact OD1-N 3.02Å
284S95.6Very high91.9Very high39 Ų3962.1 Ų62.127%0.27336%0.355SS..  trans-112.2112.6177.2-51.50000110.3D265 S286 R287D265-S284 PolarHBondContact OD1-N 3.38Å; S284-S286 VanDerWaalsContact C-N 3.27Å; S284-S286 PolarHBondContact O-N 3.03Å; S284-R287 PolarHBondContact O-N 3.15Å; S284-R287 VanDerWaalsContact OG-CZ 3.23Å; S284-R287 PolarHBondContact OG-NH1 2.71Å; S284-R287 PolarHBondContact OG-NH2 3.23Å
285W95Very high89.8Confident90 Ų9066.6 Ų66.634%0.34139%0.389SS..G310 helixtrans-54.8-40.8-178.9-177.6-114.6000113.4N268 L269 W272 R287 V288 E289 L292N268-W285 HydrophobicContact CB-CE3 3.97Å; N268-W285 HydrophobicContact CB-CZ3 4.3Å; L269-W285 HydrophobicContact CD2-CZ3 4.46Å; W272-W285 HydrophobicContact CB-CH2 3.87Å; W272-W285 HydrophobicContact CB-CZ3 4.11Å; W272-W285 AromaticContact CD1-CH2 3.28Å; W272-W285 AromaticContact CD1-CZ2 3.68Å; W272-W285 HydrophobicContact CD2-CH2 4.31Å; W272-W285 AromaticContact CG-CH2 3.57Å; W272-W285 HydrophobicContact CG-CH2 3.57Å; W272-W285 HydrophobicContact CG-CZ2 4.36Å; W272-W285 HydrophobicContact CG-CZ3 4.3Å; W272-W285 AromaticContact NE1-CH2 3.84Å; W272-W285 AromaticContact NE1-CZ2 3.88Å; W285-R287 PolarHBondContact O-N 3.12Å; W285-V288 HydrophobicContact CE3-CG2 3.84Å; W285-V288 HydrophobicContact CZ3-CG2 4.15Å; W285-V288 WeakPolarHBondContact O-CG2 3.4Å; W285-V288 PolarHBondContact O-N 3.18Å; W285-E289 HydrophobicContact CD2-CB 3.96Å; W285-E289 HydrophobicContact CG-CB 4.28Å; W285-E289 HydrophobicContact CH2-CB 4.45Å; W285-E289 HydrophobicContact CZ2-CB 3.64Å; W285-E289 VanDerWaalsContact NE1-CB 3.28Å; W285-E289 PolarHBondContact NE1-OE2 3.37Å; W285-E289 PolarHBondContact O-N 3.3Å; W285-L292 HydrophobicContact CH2-CD1 3.32Å; W285-L292 HydrophobicContact CZ2-CD1 4.03Å; W285-L292 HydrophobicContact CZ3-CD1 4.17Å
286S95.4Very high87.9Confident87 Ų8770.3 Ų70.361%0.60839%0.393SS*.G310 helixtrans-60.7-16.9179.256.50000114.8S284S284-S286 VanDerWaalsContact C-N 3.27Å; S284-S286 PolarHBondContact O-N 3.03Å
287R96.1Very high86.1Confident84 Ų8471.4 Ų71.432%0.31740%0.401SS..G310 helixtrans-82.9-17173.7-73-164-67.4-86-0.7113.7D265 S284 W285 Y290D265-R287 IonicContact OD1-CZ 3.43Å; D265-R287 IonicContact OD1-NE 2.72Å; D265-R287 PolarHBondContact OD1-NE 3.23Å; D265-R287 IonicContact OD1-NH2 3.32Å; D265-R287 PolarHBondContact OD1-NH2 2.72Å; D265-R287 IonicContact OD2-CZ 3.29Å; D265-R287 IonicContact OD2-NE 2.64Å; D265-R287 PolarHBondContact OD2-NE 2.61Å; D265-R287 IonicContact OD2-NH2 3.4Å; D265-R287 PolarHBondContact OD2-NH2 2.71Å; S284-R287 PolarHBondContact O-N 3.15Å; S284-R287 VanDerWaalsContact OG-CZ 3.23Å; S284-R287 PolarHBondContact OG-NH1 2.71Å; S284-R287 PolarHBondContact OG-NH2 3.23Å; W285-R287 PolarHBondContact O-N 3.12Å; R287-Y290 WeakPolarHBondContact O-CE1 3.46Å
288V96.1Very high84.2Confident0 Ų068.4 Ų68.40%039%0.393CS..THydrogen-bonded Turntrans-128.6-20.5-168.7-67.70000114.1I261 D265 L269 W285 Y290 L291I261-V288 HydrophobicContact CB-CG1 4.17Å; I261-V288 HydrophobicContact CD1-CG1 4.2Å; I261-V288 HydrophobicContact CG2-CG1 3.86Å; D265-V288 HydrophobicContact CB-CG1 3.51Å; D265-V288 HydrophobicContact CB-CG2 4.46Å; L269-V288 HydrophobicContact CD1-CB 4Å; L269-V288 HydrophobicContact CD1-CG1 4.06Å; L269-V288 HydrophobicContact CD2-CB 3.82Å; L269-V288 HydrophobicContact CD2-CG2 4.03Å; L269-V288 HydrophobicContact CG-CB 3.83Å; L269-V288 HydrophobicContact CG-CG1 4.28Å; L269-V288 HydrophobicContact CG-CG2 3.99Å; W285-V288 HydrophobicContact CE3-CG2 3.84Å; W285-V288 HydrophobicContact CZ3-CG2 4.15Å; W285-V288 WeakPolarHBondContact O-CG2 3.4Å; W285-V288 PolarHBondContact O-N 3.18Å; V288-Y290 PolarHBondContact O-N 2.88Å; V288-Y290 VanDerWaalsContact O-N 3.13Å; V288-L291 HydrophobicContact CB-CD1 4.24Å; V288-L291 HydrophobicContact CG1-CD1 4.37Å; V288-L291 WeakPolarHBondContact O-CB 3.45Å; V288-L291 VanDerWaalsContact O-CG 3.26Å; V288-L291 WeakPolarHBondContact O-CG 3.47Å; V288-L291 PolarHBondContact O-N 2.78Å
289E94.8Very high82.3Confident89 Ų8969.7 Ų69.742%0.41640%0.397SS..G310 helixtrans-58.2-32.6-175.873.6-174.7144.800113.5W285 L291 L292W285-E289 HydrophobicContact CD2-CB 3.96Å; W285-E289 HydrophobicContact CG-CB 4.28Å; W285-E289 HydrophobicContact CH2-CB 4.45Å; W285-E289 HydrophobicContact CZ2-CB 3.64Å; W285-E289 VanDerWaalsContact NE1-CB 3.28Å; W285-E289 PolarHBondContact NE1-OE2 3.37Å; W285-E289 PolarHBondContact O-N 3.3Å; E289-L291 PolarHBondContact O-N 3.28Å; E289-L291 VanDerWaalsContact O-N 3.1Å; E289-L292 PolarHBondContact O-N 3.19Å
290Y93.9Very high80.1Confident77 Ų7771.7 Ų71.730%0.30240%0.404SS..G310 helixtrans-67.6-12.9-179.776.7-94.7000113K253 V256 A258 A259 R287 V288 L292K253-Y290 VanDerWaalsContact CD-O 3.32Å; K253-Y290 WeakPolarHBondContact CD-O 3.3Å; K253-Y290 WeakPolarHBondContact CE-O 3.33Å; K253-Y290 PolarHBondContact NZ-O 3.05Å; V256-Y290 HydrophobicContact CG1-CE2 4.16Å; A258-Y290 WeakPolarHBondContact CA-OH 3.19Å; A258-Y290 HydrophobicContact CB-CE2 4.41Å; A258-Y290 WeakPolarHBondContact CB-OH 3.12Å; A259-Y290 PolarHBondContact N-OH 2.93Å; R287-Y290 WeakPolarHBondContact O-CE1 3.46Å; V288-Y290 PolarHBondContact O-N 2.88Å; V288-Y290 VanDerWaalsContact O-N 3.13Å; Y290-L292 VanDerWaalsContact C-N 3.29Å
291L96Very high77.6Confident15 Ų1574.6 Ų74.68%0.07940%0.403CS..G310 helixtrans-75.5-17.8177.3-57.7174.1000112.7F245 F252 K253 V256 A258 L269 V288 E289F245-L291 HydrophobicContact CE1-CD1 4.27Å; F252-L291 HydrophobicContact CD1-CB 4.39Å; K253-L291 PolarHBondContact N-O 3.06Å; V256-L291 HydrophobicContact CG1-CD2 4.19Å; A258-L291 HydrophobicContact CB-CD2 3.7Å; L269-L291 HydrophobicContact CD1-CD1 4.05Å; V288-L291 HydrophobicContact CB-CD1 4.24Å; V288-L291 HydrophobicContact CG1-CD1 4.37Å; V288-L291 WeakPolarHBondContact O-CB 3.45Å; V288-L291 VanDerWaalsContact O-CG 3.26Å; V288-L291 WeakPolarHBondContact O-CG 3.47Å; V288-L291 PolarHBondContact O-N 2.78Å; E289-L291 PolarHBondContact O-N 3.28Å; E289-L291 VanDerWaalsContact O-N 3.1Å
292L95.6Very high74.9Confident3 Ų375.4 Ų75.42%0.01643%0.425CS..BIsolated β-bridgetrans-99.2151.2-170.9-61.8164.3000112.7D251 F252 K253 L269 W272 T273 W285 E289 Y290D251-L292 HydrophobicContact CB-CD2 4.34Å; D251-L292 CarbonylContact O-C 3.23Å; D251-L292 WeakPolarHBondContact O-CA 3.49Å; D251-L292 WeakPolarHBondContact O-CD2 3.36Å; F252-L292 HydrophobicContact CD1-CD2 3.79Å; F252-L292 HydrophobicContact CE1-CD2 3.61Å; F252-L292 HydrophobicContact CG-CD2 4.42Å; F252-L292 HydrophobicContact CZ-CD2 4.1Å; K253-L292 WeakPolarHBondContact CE-O 3.16Å; L269-L292 HydrophobicContact CD2-CD1 3.86Å; L269-L292 HydrophobicContact CD2-CD2 4.2Å; L269-L292 HydrophobicContact CD2-CG 4.04Å; W272-L292 HydrophobicContact CB-CD1 4.49Å; W272-L292 HydrophobicContact CD2-CD1 3.58Å; W272-L292 HydrophobicContact CE3-CD1 3.72Å; W272-L292 HydrophobicContact CE3-CD2 3.87Å; W272-L292 HydrophobicContact CE3-CG 4.31Å; W272-L292 HydrophobicContact CG-CD1 3.96Å; W272-L292 HydrophobicContact CH2-CB 4.31Å; W272-L292 HydrophobicContact CH2-CD1 4.47Å; W272-L292 HydrophobicContact CZ2-CD1 4.34Å; W272-L292 HydrophobicContact CZ3-CB 4.43Å; W272-L292 HydrophobicContact CZ3-CD1 4.2Å; W272-L292 HydrophobicContact CZ3-CD2 3.95Å; W272-L292 HydrophobicContact CZ3-CG 4.42Å; T273-L292 HydrophobicContact CG2-CD2 4.3Å; W285-L292 HydrophobicContact CH2-CD1 3.32Å; W285-L292 HydrophobicContact CZ2-CD1 4.03Å; W285-L292 HydrophobicContact CZ3-CD1 4.17Å; E289-L292 PolarHBondContact O-N 3.19Å; Y290-L292 VanDerWaalsContact C-N 3.29Å
293N88.9Confident72.2Confident72 Ų7277.6 Ų77.639%0.38543%0.433SS..SBendtrans-77.5117.4172.9-70.8-32.6000109P250 D251 F252 K253P250-N293 PolarHBondContact O-ND2 3.3Å; D251-N293 PolarHBondContact O-N 3.45Å; F252-N293 PolarHBondContact O-ND2 2.63Å; K253-N293 VanDerWaalsContact CA-OD1 3.26Å; K253-N293 WeakPolarHBondContact CA-OD1 3.24Å; K253-N293 WeakPolarHBondContact CG-OD1 3.49Å; K253-N293 PolarHBondContact N-OD1 2.92Å
294G68.6Low69.4Low52 Ų5284 Ų8454%0.53646%0.463SS..  trans84.9125.8-176.900000112.6E296G294-E296 PolarHBondContact O-N 2.85Å
295S48.6Very low66.8Low128 Ų12893.9 Ų93.990%0.89549%0.494SS*.SBendtrans-81.31.5170.548.60000112.6S297S295-S297 PolarHBondContact O-N 2.95Å
296E49Very low64.3Low129 Ų12996.3 Ų96.360%0.60352%0.519SS*.  trans-84106.6176.2-65.4-168.5176.200108G294G294-E296 PolarHBondContact O-N 2.85Å
297S50.6Low61.7Low41 Ų4198.5 Ų98.529%0.28753%0.533SS..  trans-48.3137.6161.6-177.60000108.9S295 L299 Q300S295-S297 PolarHBondContact O-N 2.95Å; S297-L299 PolarHBondContact O-N 2.62Å; S297-L299 VanDerWaalsContact OG-CB 3.28Å; S297-L299 WeakPolarHBondContact OG-CB 3.49Å; S297-L299 WeakPolarHBondContact OG-CD1 3.28Å; S297-L299 WeakPolarHBondContact OG-CG 3.26Å; S297-L299 PolarHBondContact OG-N 2.81Å; S297-Q300 PolarHBondContact O-N 3.1Å
298P48.4Very low59.1Low67 Ų67100 Ų10044%0.43556%0.556SS.*G310 helixtrans-49.7-18.4169.8-24.831.2000113Q300 F301P298-Q300 VanDerWaalsContact C-N 3.31Å; P298-Q300 PolarHBondContact O-N 3.48Å; P298-F301 PolarHBondContact O-N 3.38Å
299L50.2Low56.5Low89 Ų89108.4 Ų108.447%0.46660%0.597SS.*G310 helixtrans-70.9-11.3179.5-55.5177.7000115.5H277 S297 F301H277-L299 WeakPolarHBondContact CE1-CD2 3.17Å; H277-L299 WeakPolarHBondContact NE2-CD2 3.46Å; S297-L299 PolarHBondContact O-N 2.62Å; S297-L299 VanDerWaalsContact OG-CB 3.28Å; S297-L299 WeakPolarHBondContact OG-CB 3.49Å; S297-L299 WeakPolarHBondContact OG-CD1 3.28Å; S297-L299 WeakPolarHBondContact OG-CG 3.26Å; S297-L299 PolarHBondContact OG-N 2.81Å; L299-F301 VanDerWaalsContact C-N 3.3Å
300Q42.1Very low53.6Low112 Ų112109.2 Ų109.252%0.52362%0.619SS.*G310 helixtrans-75.6-17.1172.6-92.7-177.9-22.200113.6S297 P298 G302S297-Q300 PolarHBondContact O-N 3.1Å; P298-Q300 VanDerWaalsContact C-N 3.31Å; P298-Q300 PolarHBondContact O-N 3.48Å; Q300-G302 PolarHBondContact O-N 2.76Å
301F40.1Very low50.9Low196 Ų196112.4 Ų112.486%0.8664%0.641SS**G310 helixtrans-73.6-12.5178-112.8-94.9000114P298 L299P298-F301 PolarHBondContact O-N 3.38Å; L299-F301 VanDerWaalsContact C-N 3.3Å
302G37.5Very low48.2Very low72 Ų72119.5 Ų119.574%0.74268%0.678SS**G310 helixtrans-94.4-6.5-178.100000116.6Q300Q300-G302 PolarHBondContact O-N 2.76Å
303M38Very low45.2Very low173 Ų173123 Ų12385%0.85272%0.715SS**SBendtrans-111.77.4-172-92-170.8-166.500115.8
304L36.4Very low43Very low150 Ų150126.3 Ų126.379%0.78574%0.737SS**SBendtrans-98.49.3-175.2-87162.3000116.1
305W42.2Very low41.4Very low246 Ų246131 Ų13193%0.93275%0.749SS**SBendtrans-123.186.5172.9-89.159.6000110.9
306T41.6Very low40.6Very low141 Ų141131.7 Ų131.787%0.86574%0.742SS**SBendtrans175.656149.136.10000110.6
307C40.8Very low39.9Very low132 Ų132131.9 Ų131.989%0.89274%0.743SS**  trans-140.648.1163.8-1000000110.8
308S42.4Very low39.3Very low115 Ų115137.8 Ų137.880%0.80476%0.764SS**  trans-14387.2168.5-59.80000107.8
309M40.5Very low38.9Very low177 Ų177148.8 Ų148.887%0.87280%0.799SS**  trans178.282.6152.4-90.4-90.8-8600108.9
310A34Very low38.4Very low106 Ų106151.8 Ų151.888%0.87682%0.815SS**  trans-142.674.1151.800000106.7
311L37.3Very low38.2Very low144 Ų144153.8 Ų153.875%0.75483%0.831SS**  trans-77.3121.9171.2-112.1143.2000108.6
312L38.8Very low38.1Very low165 Ų165151.5 Ų151.586%0.86483%0.829SS**  trans18.6123.9144.5-75.4109000118.5
313G33Very low38.1Very low76 Ų76156.2 Ų156.278%0.78483%0.834SS**  trans-17351.7163.900000114.3
314V41.8Very low38.1Very low141 Ų141155.1 Ų155.186%0.85583%0.833SS**  trans-141.5105.9159.8-175.60000108.1
315L35.6Very low38.2Very low150 Ų150155.5 Ų155.579%0.78584%0.836SS**  trans-172.5119.3143.9-98164.7000109.4
316L32.8Very low37.9Very low143 Ų143149 Ų14975%0.74983%0.829SS**  trans74.9135.6155.1-57.2160000115.7
317E34.7Very low37.6Very low133 Ų133149.6 Ų149.662%0.62183%0.827SS**  cis-176.7165.823.9-143.2167.1-155.100111
318F37Very low37.4Very low165 Ų165151.1 Ų151.172%0.72482%0.821SS**  trans74.9118167.5-50.3-68.6000117.3
319Y40.5Very low36.9Very low298 Ų298154.4 Ų154.4100%1.16982%0.823SS**  cis-154.3039.4-107.3-91.3000111.2

Retrieved 319 of 319 residues in 61.3 ms (Link to these results)

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