A0A087YHJ9_POEFO Loading...

Metastasis associated 1

AlphaFold DB , UniProt , Accession A0A087YHJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 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
1M45.1Very low82.6Confident242 Ų24273.3 Ų73.3100%1.19242%0.417SS*.  0124.20-116.7176.9-123.900108.2A3M1-A3 PolarHBondContact O-N 2.99Å; M1-A3 VanDerWaalsContact O-N 3.12Å
2A50.6Low83.7Confident69 Ų6967.2 Ų67.257%0.5738%0.382SS*.  trans-66.6111.2179.100000109.5N4 M5A2-N4 PolarHBondContact O-N 3.17Å; A2-M5 HydrophobicContact CB-CB 4.34Å; A2-M5 PolarHBondContact O-N 2.7Å; A2-M5 VanDerWaalsContact O-N 3.14Å
3A66.8Low84.7Confident86 Ų8662.3 Ų62.371%0.71135%0.354SS*.THydrogen-bonded Turntrans-56.5-14-17200000115M1M1-A3 PolarHBondContact O-N 2.99Å; M1-A3 VanDerWaalsContact O-N 3.12Å
4N85.3Confident85.3Confident26 Ų2658 Ų5814%0.13933%0.329CS..THydrogen-bonded Turntrans-113.911.6-172.9-73.6-10.4000114.1A2 Y6 Y338 I339 N341A2-N4 PolarHBondContact O-N 3.17Å; N4-Y6 WeakPolarHBondContact O-CD2 3.32Å; N4-Y6 WeakPolarHBondContact O-CE2 3.32Å; N4-Y338 HydrophobicContact CB-CD2 3.94Å; N4-Y338 HydrophobicContact CB-CE2 3.46Å; N4-Y338 VanDerWaalsContact CB-CE2 3.46Å; N4-Y338 WeakPolarHBondContact O-CA 3.44Å; N4-I339 VanDerWaalsContact CB-O 3.3Å; N4-I339 WeakPolarHBondContact CB-O 3.32Å; N4-I339 PolarHBondContact O-N 3.33Å; N4-N341 PolarHBondContact ND2-OD1 3.35Å; N4-N341 PolarHBondContact OD1-OD1 2.88Å
5M91.6Very high85.7Confident48 Ų4856.3 Ų56.324%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-100.7122.9177.1-170.367.267.900110.9A2 K108 Q336 Y338A2-M5 HydrophobicContact CB-CB 4.34Å; A2-M5 PolarHBondContact O-N 2.7Å; A2-M5 VanDerWaalsContact O-N 3.14Å; M5-K108 WeakPolarHBondContact O-CE 3.49Å; M5-K108 PolarHBondContact O-NZ 3.27Å; M5-Q336 HydrophobicContact SD-CB 4.14Å; M5-Q336 HydrophobicContact SD-CG 4.04Å; M5-Y338 HydrophobicContact CE-CD2 4.21Å
6Y94.3Very high85.7Confident6 Ų660.4 Ų60.42%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-117.4139.9-177.5-58.6-89.4000110.5N4 V12 I105 G107 K108 Q336 V337 I339N4-Y6 WeakPolarHBondContact O-CD2 3.32Å; N4-Y6 WeakPolarHBondContact O-CE2 3.32Å; Y6-V12 HydrophobicContact CD1-CG1 3.58Å; Y6-V12 HydrophobicContact CE1-CG1 4Å; Y6-I105 HydrophobicContact CD1-CG2 3.64Å; Y6-I105 HydrophobicContact CD2-CG2 4.36Å; Y6-I105 HydrophobicContact CE1-CG2 3.26Å; Y6-I105 HydrophobicContact CE2-CG2 4.07Å; Y6-I105 HydrophobicContact CG-CG2 4.16Å; Y6-I105 VanDerWaalsContact CZ-CG2 3.49Å; Y6-G107 WeakPolarHBondContact OH-CA 3.46Å; Y6-G107 PolarHBondContact OH-N 3.37Å; Y6-K108 HydrophobicContact CD1-CD 4.41Å; Y6-K108 HydrophobicContact CD1-CG 3.81Å; Y6-K108 HydrophobicContact CE1-CG 3.62Å; Y6-Q336 CarbonylContact O-C 3.56Å; Y6-Q336 WeakPolarHBondContact O-CA 3.15Å; Y6-Q336 WeakPolarHBondContact O-CB 3.44Å; Y6-V337 PolarHBondContact N-O 3.28Å; Y6-V337 PolarHBondContact O-N 2.88Å; Y6-I339 HydrophobicContact CD2-CB 4.19Å; Y6-I339 HydrophobicContact CD2-CD1 3.58Å; Y6-I339 HydrophobicContact CD2-CG1 3.91Å; Y6-I339 HydrophobicContact CE2-CB 3.91Å; Y6-I339 HydrophobicContact CE2-CD1 3.84Å; Y6-I339 HydrophobicContact CE2-CG1 4.13Å; Y6-I339 HydrophobicContact CG-CD1 4.3Å
7R94.7Very high85.7Confident140 Ų14059.5 Ų59.553%0.52834%0.337SS..EExtended strand (participates in β ladder)trans-122.8155.1-173.9-60-176.6177.5-127.2-4.1110.9G9 D10 K335 Q336R7-G9 PolarHBondContact O-N 3.01Å; R7-D10 PolarHBondContact N-OD2 3.13Å; R7-D10 VanDerWaalsContact O-CB 3.29Å; R7-D10 WeakPolarHBondContact O-CB 3.48Å; R7-D10 PolarHBondContact O-N 3.49Å; R7-K335 WeakPolarHBondContact CA-O 3.34Å; R7-Q336 HydrophobicContact CG-CB 3.96Å
8V93.9Very high85.4Confident64 Ų6458.3 Ų58.339%0.38833%0.333SS..THydrogen-bonded Turntrans-56.9132.5165.9176.50000108.9I27 E28 L30 K335V8-I27 HydrophobicContact CG2-CG2 4.32Å; V8-E28 WeakPolarHBondContact CG1-O 3.2Å; V8-L30 HydrophobicContact CG2-CD1 4.2Å; V8-L30 HydrophobicContact CG2-CG 4.13Å; V8-K335 PolarHBondContact N-O 3.02Å; V8-K335 VanDerWaalsContact N-O 3.08Å
9G93.8Very high85.3Confident40 Ų4058.1 Ų58.141%0.41234%0.335SS..THydrogen-bonded Turntrans96.7-19-172.600000114.7R7 I27R7-G9 PolarHBondContact O-N 3.01Å; G9-I27 PolarHBondContact N-O 2.95Å
10D95.8Very high85.5Confident37 Ų3759.4 Ų59.420%0.19834%0.341CS..  trans-67.4141179.8-73.5-19.4000111.6R7 V12 I27 K108R7-D10 PolarHBondContact N-OD2 3.13Å; R7-D10 VanDerWaalsContact O-CB 3.29Å; R7-D10 WeakPolarHBondContact O-CB 3.48Å; R7-D10 PolarHBondContact O-N 3.49Å; D10-V12 HydrophobicContact CB-CG1 4.17Å; D10-I27 HydrophobicContact CB-CD1 4.42Å; D10-I27 PolarHBondContact O-N 2.93Å; D10-K108 IonicContact OD1-NZ 3.33Å; D10-K108 WeakPolarHBondContact OD2-CE 3.49Å; D10-K108 IonicContact OD2-NZ 2.74Å; D10-K108 PolarHBondContact OD2-NZ 3.44Å
11Y96.7Very high85.8Confident48 Ų4856.9 Ų56.919%0.18833%0.327CS..EExtended strand (participates in β ladder)trans-88.1132.9164.9-57.3-86.2000110R25 R26 F45 K108 C109 V111Y11-R25 CarbonylContact C-O 3.5Å; Y11-R25 WeakPolarHBondContact CA-O 3.45Å; Y11-R26 HydrophobicContact CD1-CB 3.73Å; Y11-R26 HydrophobicContact CD1-CG 3.98Å; Y11-R26 HydrophobicContact CE1-CB 3.74Å; Y11-R26 HydrophobicContact CE1-CG 3.79Å; Y11-F45 AromaticContact CD1-CE2 3.91Å; Y11-F45 HydrophobicContact CD1-CE2 3.91Å; Y11-F45 HydrophobicContact CD1-CZ 4.21Å; Y11-F45 AromaticContact CE1-CE2 3.8Å; Y11-F45 HydrophobicContact CE1-CE2 3.8Å; Y11-F45 AromaticContact CE1-CZ 3.71Å; Y11-F45 HydrophobicContact CE1-CZ 3.71Å; Y11-K108 WeakPolarHBondContact O-CA 3.49Å; Y11-C109 VanDerWaalsContact C-SG 3.59Å; Y11-C109 WeakPolarHBondContact CB-O 3.14Å; Y11-C109 PolarHBondContact O-N 3Å; Y11-V111 HydrophobicContact CD1-CB 3.59Å; Y11-V111 HydrophobicContact CD1-CG2 3.62Å; Y11-V111 HydrophobicContact CD2-CB 4.3Å; Y11-V111 HydrophobicContact CE1-CB 3.75Å; Y11-V111 HydrophobicContact CE1-CG1 4.48Å; Y11-V111 HydrophobicContact CE1-CG2 4.28Å; Y11-V111 HydrophobicContact CE2-CB 4.43Å; Y11-V111 WeakPolarHBondContact CE2-O 3.45Å; Y11-V111 HydrophobicContact CG-CB 3.88Å; Y11-V111 HydrophobicContact CG-CG2 3.81Å; Y11-V111 VanDerWaalsContact CZ-O 3.28Å
12V96.3Very high88.2Confident0 Ų046 Ų460%027%0.274CS..EExtended strand (participates in β ladder)trans-141.1150-167.7-700000112.7Y6 D10 F14 R25 I27 I105 G107 K108Y6-V12 HydrophobicContact CD1-CG1 3.58Å; Y6-V12 HydrophobicContact CE1-CG1 4Å; D10-V12 HydrophobicContact CB-CG1 4.17Å; V12-F14 HydrophobicContact CG2-CD2 3.7Å; V12-F14 HydrophobicContact CG2-CE2 3.37Å; V12-R25 PolarHBondContact N-O 3.13Å; V12-R25 PolarHBondContact O-N 3.36Å; V12-I27 HydrophobicContact CG1-CD1 3.98Å; V12-I27 HydrophobicContact CG1-CG1 4.46Å; V12-I27 HydrophobicContact CG2-CD1 4.12Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; V12-I105 HydrophobicContact CB-CG2 3.9Å; V12-I105 HydrophobicContact CG1-CG2 3.99Å; V12-I105 HydrophobicContact CG2-CD1 4.44Å; V12-I105 HydrophobicContact CG2-CG1 4.29Å; V12-G107 CarbonylContact C-O 3.58Å; V12-G107 WeakPolarHBondContact CA-O 3.44Å; V12-K108 HydrophobicContact CG1-CG 4.42Å
13Y95.8Very high90.3Very high4 Ų445 Ų452%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-85.4120.5169.7-67.5-57.5000110.6L22 L23 I24 I105 R106 G107 C109 D128 F130 K416Y13-L22 HydrophobicContact CD1-CB 4.03Å; Y13-L22 HydrophobicContact CD1-CD1 4.33Å; Y13-L22 HydrophobicContact CD2-CD1 4.42Å; Y13-L22 HydrophobicContact CG-CB 4.28Å; Y13-L22 HydrophobicContact CG-CD1 3.95Å; Y13-L23 CarbonylContact C-O 3.6Å; Y13-L23 WeakPolarHBondContact CA-O 3.37Å; Y13-I24 HydrophobicContact CD1-CG1 3.83Å; Y13-I24 HydrophobicContact CE1-CD1 4.16Å; Y13-I24 HydrophobicContact CE1-CG1 3.85Å; Y13-I105 CarbonylContact O-C 3.45Å; Y13-I105 WeakPolarHBondContact O-CA 3.35Å; Y13-R106 PolarHBondContact O-N 3.18Å; Y13-G107 PolarHBondContact N-O 2.82Å; Y13-C109 HydrophobicContact CD2-CB 4.33Å; Y13-C109 HydrophobicContact CE1-CB 4.1Å; Y13-C109 HydrophobicContact CE2-CB 3.83Å; Y13-D128 HydrophobicContact CE2-CB 4.25Å; Y13-D128 WeakPolarHBondContact CE2-OD1 3.05Å; Y13-D128 PolarHBondContact OH-OD1 3.38Å; Y13-F130 AromaticContact CE1-CE2 3.84Å; Y13-F130 HydrophobicContact CE1-CE2 3.84Å; Y13-F130 AromaticContact CE1-CZ 3.94Å; Y13-F130 HydrophobicContact CE1-CZ 3.94Å; Y13-F130 AromaticContact CZ-CE2 3.83Å; Y13-F130 WeakPolarHBondContact OH-CE2 3.33Å; Y13-F130 WeakPolarHBondContact OH-CZ 3.44Å; Y13-K416 HydrophobicContact CE1-CB 4.36Å; Y13-K416 HydrophobicContact CE1-CG 4.48Å; Y13-K416 HydrophobicContact CE2-CD 4.37Å; Y13-K416 HydrophobicContact CE2-CG 4.1Å
14F94.3Very high91.7Very high2 Ų241 Ų411%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-101.5135.2174.6-92.6-100.5000111.5V12 L22 L23 R25 A40 V42 L100 H104 I105V12-F14 HydrophobicContact CG2-CD2 3.7Å; V12-F14 HydrophobicContact CG2-CE2 3.37Å; F14-L22 CarbonylContact O-C 3.55Å; F14-L22 WeakPolarHBondContact O-CA 3.47Å; F14-L23 HydrophobicContact CB-CB 4.22Å; F14-L23 PolarHBondContact N-O 3.38Å; F14-L23 PolarHBondContact O-N 3.4Å; F14-R25 HydrophobicContact CD2-CB 3.8Å; F14-R25 HydrophobicContact CD2-CG 3.88Å; F14-R25 HydrophobicContact CE2-CB 4.01Å; F14-R25 HydrophobicContact CE2-CG 4.43Å; F14-R25 HydrophobicContact CG-CG 4.35Å; F14-A40 HydrophobicContact CZ-CB 4.11Å; F14-V42 HydrophobicContact CE2-CG1 3.8Å; F14-V42 HydrophobicContact CZ-CG1 3.8Å; F14-V42 HydrophobicContact CZ-CG2 4.49Å; F14-L100 HydrophobicContact CD1-CB 4.38Å; F14-L100 HydrophobicContact CD1-CD1 3.97Å; F14-L100 HydrophobicContact CE1-CB 3.87Å; F14-L100 HydrophobicContact CE1-CD1 4.18Å; F14-H104 WeakPolarHBondContact CA-O 3.47Å; F14-H104 HydrophobicContact CD1-CB 3.61Å; F14-H104 HydrophobicContact CE1-CB 3.99Å; F14-I105 HydrophobicContact CD1-CG1 4.46Å; F14-I105 HydrophobicContact CD2-CG1 4.09Å; F14-I105 HydrophobicContact CE1-CG1 3.92Å; F14-I105 HydrophobicContact CE2-CD1 4.12Å; F14-I105 HydrophobicContact CE2-CG1 3.55Å; F14-I105 HydrophobicContact CZ-CD1 3.88Å; F14-I105 HydrophobicContact CZ-CG1 3.43Å; F14-I105 VanDerWaalsContact CZ-CG1 3.43Å
15E91.3Very high92.2Very high33 Ų3340.6 Ų40.615%0.15422%0.221CC..  trans-104.4113.3172.6-173.8166.8-113.700111.2L22 H104 R106 K415E15-L22 HydrophobicContact CB-CD2 3.73Å; E15-L22 HydrophobicContact CG-CD2 4.18Å; E15-H104 PolarHBondContact N-O 3.37Å; E15-R106 HydrophobicContact CB-CG 3.66Å; E15-R106 IonicContact OE2-CZ 3.53Å; E15-R106 IonicContact OE2-NE 2.82Å; E15-R106 PolarHBondContact OE2-NE 3.33Å; E15-R106 IonicContact OE2-NH2 3.9Å; E15-R106 PolarHBondContact OE2-NH2 3.38Å; E15-K415 IonicContact OE1-NZ 3.47Å; E15-K415 PolarHBondContact OE1-NZ 3.33Å
16N85.3Confident92.5Very high122 Ų12241.1 Ų41.165%0.65222%0.221SC*.SBendtrans-90.2-33.9170.6-170.633.7000112.1L23N16-L23 HydrophobicContact CB-CD1 4.32Å
17S85.4Confident92.6Very high45 Ų4540.9 Ų40.932%0.31522%0.22SC..  trans-150.5143176.8172.30000109.9S19 N20S17-S19 PolarHBondContact O-N 3.22Å; S17-S19 PolarHBondContact OG-N 3.22Å; S17-N20 PolarHBondContact O-N 3.46Å
18S81.3Confident92.6Very high37 Ų3737.2 Ų37.226%0.25921%0.209SC..THydrogen-bonded Turntrans-61.2-29.917852.60000112.4P347 K415S18-P347 VanDerWaalsContact OG-CG 3.29Å; S18-P347 WeakPolarHBondContact OG-CG 3.41Å; S18-K415 PolarHBondContact O-NZ 3.12Å; S18-K415 VanDerWaalsContact O-NZ 3.12Å
19S83.5Confident92.6Very high54 Ų5436.2 Ų36.238%0.37820%0.2SC..THydrogen-bonded Turntrans-88.52.5-179.5-56.20000114.6S17 N348 W414S17-S19 PolarHBondContact O-N 3.22Å; S17-S19 PolarHBondContact OG-N 3.22Å; S19-N348 PolarHBondContact OG-ND2 3.47Å; S19-W414 WeakPolarHBondContact O-CH2 3.41Å
20N89Confident92.6Very high85 Ų8534.4 Ų34.446%0.45518%0.181SC..SBendtrans-115.9153.5173.9-73.4-30.3000110.7S17 K415S17-N20 PolarHBondContact O-N 3.46Å; N20-K415 PolarHBondContact O-NZ 3.19Å
21P91.6Very high92.4Very high6 Ų635 Ų354%0.03918%0.184CC..PPolyproline II helixtrans-61.7151.1169.2-32.845.4000111.8W414 K415P21-W414 WeakPolarHBondContact CB-O 3.43Å; P21-W414 VanDerWaalsContact CD-CZ2 3.43Å; P21-W414 HydrophobicContact CG-CD2 3.84Å; P21-W414 HydrophobicContact CG-CE3 4.24Å; P21-W414 HydrophobicContact CG-CG 4.46Å; P21-W414 HydrophobicContact CG-CH2 3.92Å; P21-W414 HydrophobicContact CG-CZ2 3.47Å; P21-W414 VanDerWaalsContact CG-CZ2 3.47Å; P21-W414 HydrophobicContact CG-CZ3 4.27Å; P21-W414 WeakPolarHBondContact CG-O 3.47Å; P21-K415 CarbonylContact C-O 3.6Å; P21-K415 WeakPolarHBondContact CA-O 3.36Å
22L94.4Very high92.1Very high15 Ų1539.5 Ų39.58%0.07920%0.204CC..PPolyproline II helixtrans-60.7141.9179.4-58.6170.4000109.2Y13 F14 E15 R47 R106 K415Y13-L22 HydrophobicContact CD1-CB 4.03Å; Y13-L22 HydrophobicContact CD1-CD1 4.33Å; Y13-L22 HydrophobicContact CD2-CD1 4.42Å; Y13-L22 HydrophobicContact CG-CB 4.28Å; Y13-L22 HydrophobicContact CG-CD1 3.95Å; F14-L22 CarbonylContact O-C 3.55Å; F14-L22 WeakPolarHBondContact O-CA 3.47Å; E15-L22 HydrophobicContact CB-CD2 3.73Å; E15-L22 HydrophobicContact CG-CD2 4.18Å; L22-R47 PolarHBondContact O-NH1 3.24Å; L22-R47 PolarHBondContact O-NH2 3.28Å; L22-R106 HydrophobicContact CD2-CB 4.32Å; L22-R106 HydrophobicContact CD2-CG 4.09Å; L22-K415 WeakPolarHBondContact CB-O 3.38Å; L22-K415 PolarHBondContact N-O 2.99Å
23L95.4Very high91.7Very high46 Ų4641.7 Ų41.724%0.24122%0.218CC..EExtended strand (participates in β ladder)trans-87.1150172.2-58.6177.4000108.8Y13 F14 N16Y13-L23 CarbonylContact C-O 3.6Å; Y13-L23 WeakPolarHBondContact CA-O 3.37Å; F14-L23 HydrophobicContact CB-CB 4.22Å; F14-L23 PolarHBondContact N-O 3.38Å; F14-L23 PolarHBondContact O-N 3.4Å; N16-L23 HydrophobicContact CB-CD1 4.32Å
24I96.3Very high91.2Very high3 Ų346.8 Ų46.82%0.01526%0.261CS..EExtended strand (participates in β ladder)trans-108.1131.7179.8-64.2159.3000108.1Y13 F45 L91 V111 F130Y13-I24 HydrophobicContact CD1-CG1 3.83Å; Y13-I24 HydrophobicContact CE1-CD1 4.16Å; Y13-I24 HydrophobicContact CE1-CG1 3.85Å; I24-F45 HydrophobicContact CB-CB 4.16Å; I24-F45 HydrophobicContact CG2-CB 4.13Å; I24-F45 HydrophobicContact CG2-CD2 4.25Å; I24-F45 HydrophobicContact CG2-CG 4.32Å; I24-F45 WeakPolarHBondContact O-CB 3.43Å; I24-F45 PolarHBondContact O-N 3.23Å; I24-L91 HydrophobicContact CB-CD1 4.11Å; I24-L91 HydrophobicContact CD1-CD1 3.72Å; I24-L91 HydrophobicContact CD1-CD2 3.79Å; I24-L91 HydrophobicContact CD1-CG 4.36Å; I24-L91 HydrophobicContact CG2-CD1 3.71Å; I24-V111 HydrophobicContact CG2-CG2 3.75Å; I24-F130 HydrophobicContact CD1-CD1 3.8Å; I24-F130 HydrophobicContact CD1-CD2 4.13Å; I24-F130 HydrophobicContact CD1-CE1 3.51Å; I24-F130 HydrophobicContact CD1-CE2 3.85Å; I24-F130 HydrophobicContact CD1-CG 4.13Å; I24-F130 HydrophobicContact CD1-CZ 3.55Å
25R96.6Very high90.9Very high17 Ų1753.6 Ų53.66%0.06430%0.297CS..EExtended strand (participates in β ladder)trans-146.1155.2-173.7-58.6-167.7179.6-113.72.7111.3Y11 V12 F14 V42 V43 C44 E98Y11-R25 CarbonylContact C-O 3.5Å; Y11-R25 WeakPolarHBondContact CA-O 3.45Å; V12-R25 PolarHBondContact N-O 3.13Å; V12-R25 PolarHBondContact O-N 3.36Å; F14-R25 HydrophobicContact CD2-CB 3.8Å; F14-R25 HydrophobicContact CD2-CG 3.88Å; F14-R25 HydrophobicContact CE2-CB 4.01Å; F14-R25 HydrophobicContact CE2-CG 4.43Å; F14-R25 HydrophobicContact CG-CG 4.35Å; R25-V42 HydrophobicContact CB-CB 4.02Å; R25-V42 HydrophobicContact CB-CG1 4.33Å; R25-V43 CarbonylContact C-O 3.58Å; R25-V43 WeakPolarHBondContact CA-O 3.46Å; R25-V43 WeakPolarHBondContact CB-O 3.41Å; R25-C44 PolarHBondContact NH1-SG 3.28Å; R25-E98 IonicContact CZ-OE2 2.84Å; R25-E98 IonicContact NH1-OE2 2.68Å; R25-E98 PolarHBondContact NH1-OE2 2.74Å; R25-E98 IonicContact NH2-OE2 3.71Å; R25-E98 PolarHBondContact NH2-OE2 3.18Å
26R96.5Very high90.7Very high60 Ų6053.8 Ų53.823%0.22631%0.308CS..EExtended strand (participates in β ladder)trans-108132.2169.3-171.9176.873.4-170.25.7110Y11 E28 V42 V43 F45Y11-R26 HydrophobicContact CD1-CB 3.73Å; Y11-R26 HydrophobicContact CD1-CG 3.98Å; Y11-R26 HydrophobicContact CE1-CB 3.74Å; Y11-R26 HydrophobicContact CE1-CG 3.79Å; R26-E28 IonicContact CZ-OE1 3.12Å; R26-E28 IonicContact NE-OE1 2.68Å; R26-E28 PolarHBondContact NE-OE1 3.2Å; R26-E28 IonicContact NH2-OE1 2.69Å; R26-E28 PolarHBondContact NH2-OE1 3.15Å; R26-E28 IonicContact NH2-OE2 3.84Å; R26-E28 PolarHBondContact O-N 3.32Å; R26-V42 CarbonylContact O-C 3.6Å; R26-V42 WeakPolarHBondContact O-CA 3.46Å; R26-V43 HydrophobicContact CB-CB 4.29Å; R26-V43 PolarHBondContact N-O 3.36Å; R26-V43 PolarHBondContact O-N 2.92Å; R26-F45 HydrophobicContact CB-CE2 4.08Å
27I96.4Very high90.9Very high1 Ų153 Ų531%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-76114.2177.4-56.7176.1000109V8 G9 D10 V12 L30 V42 I105V8-I27 HydrophobicContact CG2-CG2 4.32Å; G9-I27 PolarHBondContact N-O 2.95Å; D10-I27 HydrophobicContact CB-CD1 4.42Å; D10-I27 PolarHBondContact O-N 2.93Å; V12-I27 HydrophobicContact CG1-CD1 3.98Å; V12-I27 HydrophobicContact CG1-CG1 4.46Å; V12-I27 HydrophobicContact CG2-CD1 4.12Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; I27-L30 HydrophobicContact CG2-CD1 4.47Å; I27-L30 HydrophobicContact CG2-CD2 3.82Å; I27-L30 HydrophobicContact CG2-CG 3.82Å; I27-V42 HydrophobicContact CG1-CG1 4.27Å; I27-I105 HydrophobicContact CD1-CD1 3.95Å
28E95.1Very high91.3Very high63 Ų6352.4 Ų52.429%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-91.7-34.7173.9-67.7-64.1136.300112.1V8 R26 K41 V43 L97V8-E28 WeakPolarHBondContact CG1-O 3.2Å; R26-E28 IonicContact CZ-OE1 3.12Å; R26-E28 IonicContact NE-OE1 2.68Å; R26-E28 PolarHBondContact NE-OE1 3.2Å; R26-E28 IonicContact NH2-OE1 2.69Å; R26-E28 PolarHBondContact NH2-OE1 3.15Å; R26-E28 IonicContact NH2-OE2 3.84Å; R26-E28 PolarHBondContact O-N 3.32Å; E28-K41 PolarHBondContact N-O 2.91Å; E28-V43 HydrophobicContact CG-CB 4.39Å; E28-V43 HydrophobicContact CG-CG2 3.53Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.47Å; E28-L97 HydrophobicContact CB-CD2 4.41Å; E28-L97 HydrophobicContact CG-CD2 3.79Å
29E93.9Very high92Very high43 Ų4354.3 Ų54.320%0.20130%0.303CS..EExtended strand (participates in β ladder)trans-154.8144.9-176.4-166.9177.8-15900109.9N31 A40 K41 K333E29-N31 PolarHBondContact OE1-OD1 3.15Å; E29-N31 PolarHBondContact OE2-ND2 2.85Å; E29-A40 WeakPolarHBondContact O-CA 3.35Å; E29-K41 HydrophobicContact CB-CB 3.96Å; E29-K41 HydrophobicContact CB-CD 4.47Å; E29-K41 PolarHBondContact N-O 3.13Å; E29-K41 PolarHBondContact O-N 2.91Å; E29-K333 WeakPolarHBondContact OE1-CD 3.45Å; E29-K333 WeakPolarHBondContact OE1-CE 3.41Å; E29-K333 IonicContact OE1-NZ 2.79Å; E29-K333 PolarHBondContact OE1-NZ 2.88Å
30L94.1Very high92.5Very high1 Ų151.7 Ų51.71%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-115.9123.2170.7-64.9166.9000108.5V8 I27 V38 E39 A40 L334 V337V8-L30 HydrophobicContact CG2-CD1 4.2Å; V8-L30 HydrophobicContact CG2-CG 4.13Å; I27-L30 HydrophobicContact CG2-CD1 4.47Å; I27-L30 HydrophobicContact CG2-CD2 3.82Å; I27-L30 HydrophobicContact CG2-CG 3.82Å; L30-V38 HydrophobicContact CB-CG1 4.43Å; L30-V38 HydrophobicContact CD2-CG1 4.38Å; L30-E39 WeakPolarHBondContact CA-O 3.4Å; L30-A40 HydrophobicContact CD2-CB 3.75Å; L30-L334 HydrophobicContact CB-CB 3.85Å; L30-L334 WeakPolarHBondContact CB-O 3.45Å; L30-V337 HydrophobicContact CD1-CB 4.18Å; L30-V337 HydrophobicContact CD1-CG1 3.87Å; L30-V337 HydrophobicContact CD2-CG1 3.96Å
31N91.6Very high92.8Very high49 Ų4951.3 Ų51.326%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-117.3127.1-175.8-69.2-54.3000109.9E29 V38 E39E29-N31 PolarHBondContact OE1-OD1 3.15Å; E29-N31 PolarHBondContact OE2-ND2 2.85Å; N31-V38 WeakPolarHBondContact O-CA 3.49Å; N31-E39 PolarHBondContact N-O 3.12Å; N31-E39 PolarHBondContact O-N 3.14Å
32K90.3Very high93.1Very high143 Ų14351 Ų5162%0.62228%0.277SS*.EExtended strand (participates in β ladder)trans-90.2118.3172-162176.3176.3-177.60108.7L334K32-L334 HydrophobicContact CB-CD1 3.68Å; K32-L334 HydrophobicContact CB-CG 4.32Å; K32-L334 HydrophobicContact CG-CD1 4.32Å
33T87.4Confident93.1Very high46 Ų4650.8 Ų50.828%0.28228%0.277SS..  trans-69.9159.5172.262.80000110.6N35 G36 N37 E39T33-N35 PolarHBondContact O-N 2.93Å; T33-N35 VanDerWaalsContact O-N 3.12Å; T33-G36 PolarHBondContact O-N 3.13Å; T33-N37 PolarHBondContact N-O 3.31Å; T33-N37 WeakPolarHBondContact OG1-CB 3.31Å; T33-N37 PolarHBondContact OG1-N 3.25Å; T33-N37 PolarHBondContact OG1-O 3.14Å; T33-E39 HydrophobicContact CG2-CG 4.18Å
34A86.7Confident93.1Very high112 Ų11248.9 Ų48.993%0.92627%0.267SS*.THydrogen-bonded Turntrans-55.3-30.3176.600000113G36A34-G36 PolarHBondContact O-N 3Å
35N88.1Confident93.1Very high144 Ų14449.2 Ų49.277%0.7727%0.268SS*.THydrogen-bonded Turntrans-78.31.9178-62.2-3.5000113.3T33 N37T33-N35 PolarHBondContact O-N 2.93Å; T33-N35 VanDerWaalsContact O-N 3.12Å; N35-N37 VanDerWaalsContact C-N 3.31Å; N35-N37 PolarHBondContact O-N 3.04Å
36G85.7Confident93Very high37 Ų3750.5 Ų50.538%0.38127%0.274SS..SBendtrans85.2-6.8-179.700000115.3T33 A34T33-G36 PolarHBondContact O-N 3.13Å; A34-G36 PolarHBondContact O-N 3Å
37N90.5Very high92.8Very high107 Ų10748.2 Ų48.257%0.57227%0.265SS*.  trans-70.7144.1175.2-61.5-37.6000110.7T33 N35T33-N37 PolarHBondContact N-O 3.31Å; T33-N37 WeakPolarHBondContact OG1-CB 3.31Å; T33-N37 PolarHBondContact OG1-N 3.25Å; T33-N37 PolarHBondContact OG1-O 3.14Å; N35-N37 VanDerWaalsContact C-N 3.31Å; N35-N37 PolarHBondContact O-N 3.04Å
38V93.7Very high92.6Very high32 Ų3249.8 Ų49.819%0.19427%0.271CS..EExtended strand (participates in β ladder)trans-103.4125.9177.9-174.50000110L30 N31 A102 L334 V337L30-V38 HydrophobicContact CB-CG1 4.43Å; L30-V38 HydrophobicContact CD2-CG1 4.38Å; N31-V38 WeakPolarHBondContact O-CA 3.49Å; V38-A102 HydrophobicContact CB-CB 4.1Å; V38-A102 HydrophobicContact CG1-CB 3.98Å; V38-A102 WeakPolarHBondContact O-CB 3Å; V38-A102 PolarHBondContact O-N 2.94Å; V38-L334 HydrophobicContact CB-CD1 4.5Å; V38-L334 HydrophobicContact CG1-CD1 3.88Å; V38-L334 HydrophobicContact CG2-CD1 3.82Å; V38-V337 HydrophobicContact CB-CG2 4.16Å; V38-V337 HydrophobicContact CG1-CB 4.32Å; V38-V337 HydrophobicContact CG1-CG2 4.01Å; V38-V337 HydrophobicContact CG2-CG2 4.09Å
39E94.5Very high92.2Very high76 Ų7652.2 Ų52.236%0.35528%0.277SS..EExtended strand (participates in β ladder)trans-105.6143.7170-64.5-170.8174.900110L30 N31 T33 S99 L100L30-E39 WeakPolarHBondContact CA-O 3.4Å; N31-E39 PolarHBondContact N-O 3.12Å; N31-E39 PolarHBondContact O-N 3.14Å; T33-E39 HydrophobicContact CG2-CG 4.18Å; E39-S99 PolarHBondContact OE2-OG 2.74Å; E39-L100 WeakPolarHBondContact CA-O 3.27Å
40A95.3Very high92Very high0 Ų053.1 Ų53.10%028%0.283CS..EExtended strand (participates in β ladder)trans-109121.2174.300000109F14 E29 L30 V42 L100F14-A40 HydrophobicContact CZ-CB 4.11Å; E29-A40 WeakPolarHBondContact O-CA 3.35Å; L30-A40 HydrophobicContact CD2-CB 3.75Å; A40-V42 HydrophobicContact CB-CG1 3.98Å; A40-L100 PolarHBondContact N-O 3.25Å; A40-L100 PolarHBondContact O-N 2.69Å
41K95.9Very high91.8Very high76 Ų7653.6 Ų53.633%0.3329%0.286SS..EExtended strand (participates in β ladder)trans-85124167.5-168177.2178.3-178.70108.2E28 E29 E98E28-K41 PolarHBondContact N-O 2.91Å; E29-K41 HydrophobicContact CB-CB 3.96Å; E29-K41 HydrophobicContact CB-CD 4.47Å; E29-K41 PolarHBondContact N-O 3.13Å; E29-K41 PolarHBondContact O-N 2.91Å; K41-E98 CarbonylContact C-O 2.95Å; K41-E98 WeakPolarHBondContact CA-O 3.35Å
42V96.3Very high91.8Very high0 Ų053.8 Ų53.80%029%0.291CS..EExtended strand (participates in β ladder)trans-137.6138.2-161.7-76.30000112.3F14 R25 R26 I27 A40 L97 E98F14-V42 HydrophobicContact CE2-CG1 3.8Å; F14-V42 HydrophobicContact CZ-CG1 3.8Å; F14-V42 HydrophobicContact CZ-CG2 4.49Å; R25-V42 HydrophobicContact CB-CB 4.02Å; R25-V42 HydrophobicContact CB-CG1 4.33Å; R26-V42 CarbonylContact O-C 3.6Å; R26-V42 WeakPolarHBondContact O-CA 3.46Å; I27-V42 HydrophobicContact CG1-CG1 4.27Å; A40-V42 HydrophobicContact CB-CG1 3.98Å; V42-L97 WeakPolarHBondContact O-CA 3.4Å; V42-E98 HydrophobicContact CG2-CB 4.44Å; V42-E98 VanDerWaalsContact CG2-O 3.23Å; V42-E98 WeakPolarHBondContact CG2-O 3.36Å; V42-E98 PolarHBondContact N-O 3.33Å; V42-E98 PolarHBondContact O-N 3.06Å
43V95.8Very high91.7Very high11 Ų1151.5 Ų51.57%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-79.3138.9167.6163.80000109.3R25 R26 E28 F45 L93 S94 L97R25-V43 CarbonylContact C-O 3.58Å; R25-V43 WeakPolarHBondContact CA-O 3.46Å; R25-V43 WeakPolarHBondContact CB-O 3.41Å; R26-V43 HydrophobicContact CB-CB 4.29Å; R26-V43 PolarHBondContact N-O 3.36Å; R26-V43 PolarHBondContact O-N 2.92Å; E28-V43 HydrophobicContact CG-CB 4.39Å; E28-V43 HydrophobicContact CG-CG2 3.53Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.47Å; V43-F45 HydrophobicContact CG1-CE2 4.29Å; V43-L93 HydrophobicContact CG1-CD1 3.46Å; V43-L93 VanDerWaalsContact CG1-CD1 3.46Å; V43-S94 WeakPolarHBondContact CG1-O 3.41Å; V43-L97 HydrophobicContact CG2-CD2 3.59Å
44C95Very high91.8Very high5 Ų554.5 Ų54.53%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-95.4136.7-174.3-52.10000111.9R25 Y46 S94 Q96R25-C44 PolarHBondContact NH1-SG 3.28Å; C44-Y46 HydrophobicContact CB-CD2 4.36Å; C44-Y46 HydrophobicContact CB-CE2 3.77Å; C44-S94 WeakPolarHBondContact O-CB 3.34Å; C44-S94 PolarHBondContact O-N 2.93Å; C44-Q96 PolarHBondContact N-O 3.32Å; C44-Q96 PolarHBondContact SG-O 2.91Å
45F95.5Very high92Very high10 Ų1049.9 Ų49.94%0.04427%0.271CS..EExtended strand (participates in β ladder)trans-110.3131.7165-70.4-94.4000109.9Y11 I24 R26 V43 L91 F92 L93 V111 Y132Y11-F45 AromaticContact CD1-CE2 3.91Å; Y11-F45 HydrophobicContact CD1-CE2 3.91Å; Y11-F45 HydrophobicContact CD1-CZ 4.21Å; Y11-F45 AromaticContact CE1-CE2 3.8Å; Y11-F45 HydrophobicContact CE1-CE2 3.8Å; Y11-F45 AromaticContact CE1-CZ 3.71Å; Y11-F45 HydrophobicContact CE1-CZ 3.71Å; I24-F45 HydrophobicContact CB-CB 4.16Å; I24-F45 HydrophobicContact CG2-CB 4.13Å; I24-F45 HydrophobicContact CG2-CD2 4.25Å; I24-F45 HydrophobicContact CG2-CG 4.32Å; I24-F45 WeakPolarHBondContact O-CB 3.43Å; I24-F45 PolarHBondContact O-N 3.23Å; R26-F45 HydrophobicContact CB-CE2 4.08Å; V43-F45 HydrophobicContact CG1-CE2 4.29Å; F45-L91 HydrophobicContact CB-CB 4.18Å; F45-L91 HydrophobicContact CB-CD1 3.95Å; F45-L91 HydrophobicContact CB-CG 4.48Å; F45-L91 HydrophobicContact CD1-CB 3.93Å; F45-L91 HydrophobicContact CD1-CD1 4.14Å; F45-L91 HydrophobicContact CG-CB 4.48Å; F45-L91 HydrophobicContact CG-CD1 4.18Å; F45-F92 WeakPolarHBondContact CA-O 3.33Å; F45-L93 HydrophobicContact CD1-CB 4.46Å; F45-L93 HydrophobicContact CE1-CB 4.04Å; F45-L93 HydrophobicContact CE1-CD1 3.84Å; F45-L93 HydrophobicContact CE2-CD1 4.29Å; F45-L93 HydrophobicContact CZ-CD1 3.69Å; F45-V111 HydrophobicContact CD1-CG1 4.13Å; F45-V111 HydrophobicContact CE1-CG1 3.71Å; F45-V111 HydrophobicContact CZ-CG1 4.08Å; F45-Y132 AromaticContact CE1-CD1 3.94Å; F45-Y132 HydrophobicContact CE1-CD1 3.94Å; F45-Y132 HydrophobicContact CE1-CE1 4.33Å; F45-Y132 HydrophobicContact CE1-CG 4.18Å
46Y94.7Very high92.1Very high44 Ų4445 Ų4517%0.17325%0.245CC..EExtended strand (participates in β ladder)trans-101.4142.8179.5-72.5-101.4000109.8C44 D50 L91 F92 S94 Y136C44-Y46 HydrophobicContact CB-CD2 4.36Å; C44-Y46 HydrophobicContact CB-CE2 3.77Å; Y46-D50 HydrophobicContact CD1-CB 3.82Å; Y46-L91 CarbonylContact O-C 3.53Å; Y46-L91 WeakPolarHBondContact O-CA 3.4Å; Y46-F92 PolarHBondContact N-O 2.96Å; Y46-F92 WeakPolarHBondContact O-CD2 3.17Å; Y46-F92 PolarHBondContact O-N 3.05Å; Y46-S94 VanDerWaalsContact CE2-CB 3.41Å; Y46-Y136 HydrophobicContact CD1-CD1 4.11Å; Y46-Y136 AromaticContact CD1-CE1 3.89Å; Y46-Y136 HydrophobicContact CD1-CE1 3.89Å; Y46-Y136 AromaticContact CD2-CD1 3.78Å; Y46-Y136 HydrophobicContact CD2-CD1 3.78Å; Y46-Y136 HydrophobicContact CD2-CE1 4.29Å; Y46-Y136 HydrophobicContact CE1-CE1 4.07Å; Y46-Y136 HydrophobicContact CE2-CD1 4.21Å; Y46-Y136 HydrophobicContact CE2-CE1 4.45Å; Y46-Y136 AromaticContact CG-CD1 3.73Å; Y46-Y136 HydrophobicContact CG-CD1 3.73Å; Y46-Y136 HydrophobicContact CG-CE1 4.01Å
47R93.5Very high92.3Very high12 Ų1245.9 Ų45.95%0.04525%0.249CC..EExtended strand (participates in β ladder)trans-89.4165.6169.4-62.6-173.4175.8112.5-3.2110.3L22 R49 D50 L91 K416 Y417L22-R47 PolarHBondContact O-NH1 3.24Å; L22-R47 PolarHBondContact O-NH2 3.28Å; R47-R49 HydrophobicContact CB-CG 4.28Å; R47-R49 PolarHBondContact O-N 3.28Å; R47-R49 VanDerWaalsContact O-N 3.13Å; R47-D50 WeakPolarHBondContact CB-OD2 3.36Å; R47-D50 PolarHBondContact N-OD2 3.26Å; R47-D50 WeakPolarHBondContact O-CB 3.43Å; R47-D50 PolarHBondContact O-N 3.48Å; R47-L91 HydrophobicContact CG-CD2 3.87Å; R47-K416 PolarHBondContact NH2-O 2.83Å; R47-Y417 PolarHBondContact NE-O 2.83Å
48R91.2Very high92.1Very high35 Ų3544.7 Ų44.713%0.13224%0.242CC..G310 helixtrans-48-40.7172-71.5178.4160.5-102.60.4113.8D50 I51 I56 D60 R87 E90 F92R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.11Å; R48-I51 VanDerWaalsContact O-CG1 3.22Å; R48-I51 WeakPolarHBondContact O-CG1 3.35Å; R48-I51 PolarHBondContact O-N 2.87Å; R48-I56 WeakPolarHBondContact O-CD1 3.44Å; R48-D60 IonicContact CZ-OD1 2.63Å; R48-D60 VanDerWaalsContact CZ-OD1 3.28Å; R48-D60 IonicContact NH1-OD1 3.04Å; R48-D60 PolarHBondContact NH1-OD1 3.32Å; R48-D60 IonicContact NH1-OD2 2.72Å; R48-D60 IonicContact NH2-OD1 2.72Å; R48-D60 PolarHBondContact NH2-OD1 2.85Å; R48-R87 WeakPolarHBondContact CD-O 3.49Å; R48-E90 IonicContact CZ-OE2 2.68Å; R48-E90 IonicContact NE-OE2 2.74Å; R48-E90 PolarHBondContact NE-OE2 3.05Å; R48-E90 IonicContact NH2-OE1 2.76Å; R48-E90 IonicContact NH2-OE2 3.79Å; R48-E90 PolarHBondContact NH2-OE2 3.37Å; R48-F92 HydrophobicContact CG-CE2 3.78Å; R48-F92 HydrophobicContact CG-CZ 4.24Å
49R87.5Confident91.9Very high114 Ų11443.2 Ų43.243%0.4323%0.233SC..G310 helixtrans-70.2-19.9179.178.4-171.5-172.3171.64.6114.3R47 I51 G418R47-R49 HydrophobicContact CB-CG 4.28Å; R47-R49 PolarHBondContact O-N 3.28Å; R47-R49 VanDerWaalsContact O-N 3.13Å; R49-I51 VanDerWaalsContact C-N 3.35Å; R49-G418 PolarHBondContact NH1-O 2.76Å; R49-G418 VanDerWaalsContact NH1-O 3.1Å
50D89.6Confident91.6Very high61 Ų6141.3 Ų41.333%0.32623%0.225SC..G310 helixtrans-89.8-8.9-175.1-50.7-39.1000110.9Y46 R47 R48Y46-D50 HydrophobicContact CD1-CB 3.82Å; R47-D50 WeakPolarHBondContact CB-OD2 3.36Å; R47-D50 PolarHBondContact N-OD2 3.26Å; R47-D50 WeakPolarHBondContact O-CB 3.43Å; R47-D50 PolarHBondContact O-N 3.48Å; R48-D50 VanDerWaalsContact C-N 3.25Å; R48-D50 PolarHBondContact O-N 3.11Å
51I90.3Very high91.2Very high11 Ų1146.3 Ų46.36%0.05625%0.247CC..SBendtrans-111.9159.2176.462.8167.7000111.4R48 R49 L55 I56 F92 Y136 L143R48-I51 VanDerWaalsContact O-CG1 3.22Å; R48-I51 WeakPolarHBondContact O-CG1 3.35Å; R48-I51 PolarHBondContact O-N 2.87Å; R49-I51 VanDerWaalsContact C-N 3.35Å; I51-L55 HydrophobicContact CD1-CB 4.23Å; I51-I56 HydrophobicContact CD1-CG1 4.15Å; I51-I56 HydrophobicContact CG1-CG1 3.93Å; I51-F92 HydrophobicContact CD1-CD1 4.3Å; I51-F92 HydrophobicContact CD1-CD2 3.77Å; I51-F92 HydrophobicContact CD1-CE1 3.96Å; I51-F92 HydrophobicContact CD1-CE2 3.42Å; I51-F92 VanDerWaalsContact CD1-CE2 3.42Å; I51-F92 HydrophobicContact CD1-CG 4.21Å; I51-F92 HydrophobicContact CD1-CZ 3.54Å; I51-F92 HydrophobicContact CG1-CD2 4.49Å; I51-F92 HydrophobicContact CG1-CE2 4.28Å; I51-Y136 HydrophobicContact CB-CE2 4.48Å; I51-Y136 HydrophobicContact CG2-CD1 3.75Å; I51-Y136 HydrophobicContact CG2-CD2 3.98Å; I51-Y136 HydrophobicContact CG2-CE1 3.63Å; I51-Y136 HydrophobicContact CG2-CE2 3.88Å; I51-Y136 HydrophobicContact CG2-CG 3.92Å; I51-L143 HydrophobicContact CD1-CD1 4.35Å
52S90.7Very high90.6Very high54 Ų5444.6 Ų44.638%0.37824%0.24SC..  trans-69.5152.7-175.2760000113.1T54 L55 I56S52-T54 PolarHBondContact O-N 3.21Å; S52-L55 WeakPolarHBondContact O-CB 3.5Å; S52-L55 PolarHBondContact O-N 3.47Å; S52-L55 WeakPolarHBondContact OG-CG 3.46Å; S52-I56 WeakPolarHBondContact O-CG1 3.31Å; S52-I56 PolarHBondContact O-N 2.79Å
53S88.6Confident89.9Confident95 Ų9546 Ų4666%0.66425%0.251SS*.Hα-helixtrans-56.6-33.8179.556.30000113.9L55 I56 A57S53-L55 VanDerWaalsContact C-N 3.33Å; S53-I56 PolarHBondContact O-N 3.26Å; S53-A57 PolarHBondContact O-N 3.38Å
54T89.3Confident89.1Confident108 Ų10851.6 Ų51.666%0.66327%0.271SS*.Hα-helixtrans-63.9-39.6175.5-50.90000111.8S52 A57 L58S52-T54 PolarHBondContact O-N 3.21Å; T54-A57 PolarHBondContact O-N 2.89Å; T54-L58 PolarHBondContact O-N 2.98Å
55L90.7Very high88.3Confident15 Ų1555 Ų558%0.07929%0.286CS..Hα-helixtrans-73.9-33.4177.2-66.4177.8000111.8I51 S52 S53 A57 L58 A59 Y136 K141 L143I51-L55 HydrophobicContact CD1-CB 4.23Å; S52-L55 WeakPolarHBondContact O-CB 3.5Å; S52-L55 PolarHBondContact O-N 3.47Å; S52-L55 WeakPolarHBondContact OG-CG 3.46Å; S53-L55 VanDerWaalsContact C-N 3.33Å; L55-A57 VanDerWaalsContact C-N 3.31Å; L55-A57 PolarHBondContact O-N 3.39Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.42Å; L55-A59 PolarHBondContact O-N 3.21Å; L55-Y136 HydrophobicContact CD1-CD2 4.1Å; L55-Y136 HydrophobicContact CD1-CE2 3.57Å; L55-K141 HydrophobicContact CD1-CB 4.41Å; L55-K141 WeakPolarHBondContact CD1-O 3.2Å; L55-K141 WeakPolarHBondContact CD2-O 3.47Å; L55-L143 HydrophobicContact CB-CD1 3.75Å; L55-L143 HydrophobicContact CB-CG 4.21Å; L55-L143 HydrophobicContact CD2-CD1 4.3Å; L55-L143 HydrophobicContact CD2-CG 4.12Å; L55-L143 WeakPolarHBondContact O-CD1 3.38Å
56I90.8Very high87.3Confident42 Ų4255 Ų5522%0.21529%0.287CS..Hα-helixtrans-60.1-44.6171.7-60.9172.1000110.2R48 I51 S52 S53 L58 A59 D60R48-I56 WeakPolarHBondContact O-CD1 3.44Å; I51-I56 HydrophobicContact CD1-CG1 4.15Å; I51-I56 HydrophobicContact CG1-CG1 3.93Å; S52-I56 WeakPolarHBondContact O-CG1 3.31Å; S52-I56 PolarHBondContact O-N 2.79Å; S53-I56 PolarHBondContact O-N 3.26Å; I56-L58 VanDerWaalsContact C-N 3.25Å; I56-L58 PolarHBondContact O-N 2.81Å; I56-A59 PolarHBondContact O-N 3.16Å; I56-D60 WeakPolarHBondContact O-CB 3.32Å; I56-D60 VanDerWaalsContact O-CG 3.27Å; I56-D60 PolarHBondContact O-N 3.29Å
57A89Confident86.3Confident56 Ų5657.5 Ų57.546%0.46330%0.3SS..Hα-helixtrans-61.7-34.117700000112.7S53 T54 L55 K61S53-A57 PolarHBondContact O-N 3.38Å; T54-A57 PolarHBondContact O-N 2.89Å; L55-A57 VanDerWaalsContact C-N 3.31Å; L55-A57 PolarHBondContact O-N 3.39Å; A57-K61 PolarHBondContact O-N 3.41Å; A57-K61 VanDerWaalsContact O-N 3.07Å
58L87.4Confident85.3Confident82 Ų8264.1 Ų64.143%0.42933%0.332SS..Hα-helixtrans-70.3-44.5174.1-177.461.5000111.8T54 L55 I56 D60 K61 H62 L143T54-L58 PolarHBondContact O-N 2.98Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.42Å; I56-L58 VanDerWaalsContact C-N 3.25Å; I56-L58 PolarHBondContact O-N 2.81Å; L58-D60 VanDerWaalsContact C-N 3.28Å; L58-D60 PolarHBondContact O-N 2.94Å; L58-K61 WeakPolarHBondContact O-CB 3.27Å; L58-K61 PolarHBondContact O-N 2.91Å; L58-K61 VanDerWaalsContact O-N 3.13Å; L58-H62 PolarHBondContact O-N 3.2Å; L58-L143 HydrophobicContact CD2-CB 4.22Å
59A87.9Confident84.2Confident0 Ų069 Ų690%036%0.356CS..Hα-helixtrans-59.4-41174.200000111.4L55 I56 K61 H62 A63 F92 L134 L143L55-A59 PolarHBondContact O-N 3.21Å; I56-A59 PolarHBondContact O-N 3.16Å; A59-K61 VanDerWaalsContact C-N 3.32Å; A59-K61 PolarHBondContact O-N 3.29Å; A59-H62 PolarHBondContact O-N 3.41Å; A59-A63 WeakPolarHBondContact O-CB 3.21Å; A59-A63 PolarHBondContact O-N 3.27Å; A59-F92 HydrophobicContact CB-CE1 3.75Å; A59-F92 HydrophobicContact CB-CZ 3.78Å; A59-L134 HydrophobicContact CB-CD1 3.82Å; A59-L143 HydrophobicContact CB-CD1 4.08Å
60D88.3Confident83Confident36 Ų3665 Ų6519%0.19334%0.342CS..Hα-helixtrans-66.3-32.3175.8-69.7-24.2000112.7R48 I56 L58 R64R48-D60 IonicContact CZ-OD1 2.63Å; R48-D60 VanDerWaalsContact CZ-OD1 3.28Å; R48-D60 IonicContact NH1-OD1 3.04Å; R48-D60 PolarHBondContact NH1-OD1 3.32Å; R48-D60 IonicContact NH1-OD2 2.72Å; R48-D60 IonicContact NH2-OD1 2.72Å; R48-D60 PolarHBondContact NH2-OD1 2.85Å; I56-D60 WeakPolarHBondContact O-CB 3.32Å; I56-D60 VanDerWaalsContact O-CG 3.27Å; I56-D60 PolarHBondContact O-N 3.29Å; L58-D60 VanDerWaalsContact C-N 3.28Å; L58-D60 PolarHBondContact O-N 2.94Å; D60-R64 WeakPolarHBondContact O-CG 3.48Å; D60-R64 VanDerWaalsContact O-CZ 3.27Å; D60-R64 PolarHBondContact O-N 3.42Å; D60-R64 PolarHBondContact O-NH1 3.32Å; D60-R64 VanDerWaalsContact O-NH1 3.12Å
61K86.7Confident81.4Confident106 Ų10670.9 Ų70.946%0.46137%0.368SS..Hα-helixtrans-67.1-48.6172.9-171.7-179-177.1-84.10110.7A57 L58 A59 A63 R64 E65A57-K61 PolarHBondContact O-N 3.41Å; A57-K61 VanDerWaalsContact O-N 3.07Å; L58-K61 WeakPolarHBondContact O-CB 3.27Å; L58-K61 PolarHBondContact O-N 2.91Å; L58-K61 VanDerWaalsContact O-N 3.13Å; A59-K61 VanDerWaalsContact C-N 3.32Å; A59-K61 PolarHBondContact O-N 3.29Å; K61-A63 VanDerWaalsContact C-N 3.32Å; K61-A63 PolarHBondContact O-N 2.72Å; K61-R64 PolarHBondContact O-N 2.87Å; K61-E65 IonicContact NZ-OE1 3.27Å; K61-E65 PolarHBondContact NZ-OE1 2.84Å; K61-E65 WeakPolarHBondContact O-CG 3.35Å; K61-E65 PolarHBondContact O-N 2.94Å
62H83.8Confident79.7Confident40 Ų4073.1 Ų73.119%0.18538%0.38CS..Hα-helixtrans-63-38.1177.8-176.5-73.7000112.3L58 A59 R64 E65 L66 L134L58-H62 PolarHBondContact O-N 3.2Å; A59-H62 PolarHBondContact O-N 3.41Å; H62-R64 VanDerWaalsContact C-N 3.32Å; H62-R64 PolarHBondContact O-N 3.24Å; H62-E65 PolarHBondContact O-N 3Å; H62-L66 WeakPolarHBondContact O-CB 3.47Å; H62-L66 PolarHBondContact O-N 2.68Å; H62-L134 HydrophobicContact CB-CD1 4.47Å
63A81.4Confident78Confident28 Ų2875.2 Ų75.223%0.23140%0.395CS..Hα-helixtrans-62.9-38.417600000112A59 K61 E67A59-A63 WeakPolarHBondContact O-CB 3.21Å; A59-A63 PolarHBondContact O-N 3.27Å; K61-A63 VanDerWaalsContact C-N 3.32Å; K61-A63 PolarHBondContact O-N 2.72Å; A63-E67 WeakPolarHBondContact O-CB 3.32Å; A63-E67 VanDerWaalsContact O-CG 3.3Å; A63-E67 WeakPolarHBondContact O-CG 3.42Å; A63-E67 PolarHBondContact O-N 3.18Å
64R80.2Confident76.4Confident129 Ų12976.9 Ų76.949%0.48739%0.392SS..Hα-helixtrans-67.3-43174.3-74.3-173.1-63.9-84.30.3112.5D60 K61 H62 L66 E67 E68D60-R64 WeakPolarHBondContact O-CG 3.48Å; D60-R64 VanDerWaalsContact O-CZ 3.27Å; D60-R64 PolarHBondContact O-N 3.42Å; D60-R64 PolarHBondContact O-NH1 3.32Å; D60-R64 VanDerWaalsContact O-NH1 3.12Å; K61-R64 PolarHBondContact O-N 2.87Å; H62-R64 VanDerWaalsContact C-N 3.32Å; H62-R64 PolarHBondContact O-N 3.24Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.5Å; R64-E67 WeakPolarHBondContact O-CB 3.4Å; R64-E67 PolarHBondContact O-N 3.17Å; R64-E68 WeakPolarHBondContact O-CG 3.3Å; R64-E68 PolarHBondContact O-N 3.22Å
65E78.4Confident74.9Confident76 Ų7672.6 Ų72.636%0.35537%0.365SS..Hα-helixtrans-60.9-43.8176.2-70.6165.2175.300110.6K61 H62 E67 E68 E69K61-E65 IonicContact NZ-OE1 3.27Å; K61-E65 PolarHBondContact NZ-OE1 2.84Å; K61-E65 WeakPolarHBondContact O-CG 3.35Å; K61-E65 PolarHBondContact O-N 2.94Å; H62-E65 PolarHBondContact O-N 3Å; E65-E67 PolarHBondContact O-N 2.88Å; E65-E68 WeakPolarHBondContact O-CB 3.44Å; E65-E68 PolarHBondContact O-N 3.44Å; E65-E69 WeakPolarHBondContact O-CG 3.47Å; E65-E69 PolarHBondContact O-N 3.25Å
66L73.9Confident73.4Confident12 Ų1275.1 Ų75.16%0.06339%0.388CS..Hα-helixtrans-66-37.5175.8-168.374.2000112.6H62 R64 E68 E69 M70 L114H62-L66 WeakPolarHBondContact O-CB 3.47Å; H62-L66 PolarHBondContact O-N 2.68Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.5Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E69 PolarHBondContact O-N 3.24Å; L66-M70 HydrophobicContact CD1-SD 4.49Å; L66-M70 HydrophobicContact CD2-SD 4.25Å; L66-M70 HydrophobicContact CG-CG 4.41Å; L66-M70 HydrophobicContact CG-SD 3.89Å; L66-M70 WeakPolarHBondContact O-CB 3.46Å; L66-M70 WeakPolarHBondContact O-CG 3.26Å; L66-M70 PolarHBondContact O-N 3.14Å; L66-L114 HydrophobicContact CD2-CD2 3.64Å
67E72.8Confident72.2Confident95 Ų9579.8 Ų79.844%0.44441%0.413SS..Hα-helixtrans-62.3-38.6172.7-82.9170.9-171.100112.1A63 R64 E65 M75A63-E67 WeakPolarHBondContact O-CB 3.32Å; A63-E67 VanDerWaalsContact O-CG 3.3Å; A63-E67 WeakPolarHBondContact O-CG 3.42Å; A63-E67 PolarHBondContact O-N 3.18Å; R64-E67 WeakPolarHBondContact O-CB 3.4Å; R64-E67 PolarHBondContact O-N 3.17Å; E65-E67 PolarHBondContact O-N 2.88Å; E67-M75 HydrophobicContact CG-CE 3.63Å; E67-M75 HydrophobicContact CG-CG 4.29Å
68E72.1Confident71.6Confident152 Ų15277.9 Ų77.971%0.7140%0.395SS*.Hα-helixtrans-68.6-41.4176.2-72.8171.8-167.400111.9R64 E65 L66R64-E68 WeakPolarHBondContact O-CG 3.3Å; R64-E68 PolarHBondContact O-N 3.22Å; E65-E68 WeakPolarHBondContact O-CB 3.44Å; E65-E68 PolarHBondContact O-N 3.44Å; L66-E68 VanDerWaalsContact C-N 3.33Å
69E68.8Low71.4Confident136 Ų13677.6 Ų77.664%0.63640%0.398SS*.Hα-helixtrans-70.5-33.6179.5-73.9176.5174.700113.8E65 L66 E71E65-E69 WeakPolarHBondContact O-CG 3.47Å; E65-E69 PolarHBondContact O-N 3.25Å; L66-E69 PolarHBondContact O-N 3.24Å; E69-E71 PolarHBondContact O-N 3.44Å
70M63.3Low71.2Confident31 Ų3183.4 Ų83.415%0.15343%0.426CS..THydrogen-bonded Turntrans-74.8-0.4-175.5-73.8175.37500114L66 N72 M75 E116L66-M70 HydrophobicContact CD1-SD 4.49Å; L66-M70 HydrophobicContact CD2-SD 4.25Å; L66-M70 HydrophobicContact CG-CG 4.41Å; L66-M70 HydrophobicContact CG-SD 3.89Å; L66-M70 WeakPolarHBondContact O-CB 3.46Å; L66-M70 WeakPolarHBondContact O-CG 3.26Å; L66-M70 PolarHBondContact O-N 3.14Å; M70-N72 HydrophobicContact CB-CB 4.27Å; M70-N72 WeakPolarHBondContact O-CB 3.4Å; M70-N72 PolarHBondContact O-N 2.89Å; M70-M75 HydrophobicContact SD-CE 4.48Å; M70-E116 WeakPolarHBondContact CE-O 3.36Å
71E55.6Low71Confident185 Ų18586.4 Ų86.486%0.86444%0.437SS*.THydrogen-bonded Turntrans42.728.5-177.5-69.9-169.6161.800114E69 S73E69-E71 PolarHBondContact O-N 3.44Å; E71-S73 PolarHBondContact O-N 3Å
72N54.6Low71Confident57 Ų5784.3 Ų84.331%0.30543%0.429SS..  trans-9692.4-163.7-152.35000110.9M70 E74 M75M70-N72 HydrophobicContact CB-CB 4.27Å; M70-N72 WeakPolarHBondContact O-CB 3.4Å; M70-N72 PolarHBondContact O-N 2.89Å; N72-E74 PolarHBondContact O-N 3.07Å; N72-M75 PolarHBondContact O-N 3.21Å
73S54.5Low71Confident99 Ų9985.9 Ų85.969%0.69244%0.435SS*.Hα-helixtrans-55-20.7-178.5-170.80000114.4E71E71-S73 PolarHBondContact O-N 3Å
74E55.6Low71.3Confident129 Ų12986.2 Ų86.260%0.60343%0.432SS*.Hα-helixtrans-79.5-17-178.2-62.3-163.8151.400114.5N72N72-E74 PolarHBondContact O-N 3.07Å
75M56.3Low71.6Confident18 Ų1881.2 Ų81.29%0.08941%0.414CS..Hα-helixtrans-79.5-33.2-176.2-154.9115.176.600112.7E67 M70 N72 D77 L120E67-M75 HydrophobicContact CG-CE 3.63Å; E67-M75 HydrophobicContact CG-CG 4.29Å; M70-M75 HydrophobicContact SD-CE 4.48Å; N72-M75 PolarHBondContact O-N 3.21Å; M75-D77 VanDerWaalsContact C-N 3.26Å; M75-D77 PolarHBondContact O-N 2.95Å; M75-L120 HydrophobicContact CE-CD1 3.66Å; M75-L120 HydrophobicContact CE-CG 4.38Å; M75-L120 HydrophobicContact SD-CB 3.73Å; M75-L120 HydrophobicContact SD-CD1 3.27Å; M75-L120 WeakPolarHBondContact SD-CD1 3.33Å; M75-L120 HydrophobicContact SD-CG 3.88Å
76A59.8Low72.1Confident69 Ų6978.3 Ų78.357%0.5740%0.401SS*.Hα-helixtrans-61.1-36-178.900000111.8K83A76-K83 PolarHBondContact O-NZ 3.25Å
77D65.8Low72.8Confident140 Ų14083.8 Ų83.875%0.74942%0.42SS*.THydrogen-bonded Turntrans-92.84.1-172-73.7-21.1000115.4M75M75-D77 VanDerWaalsContact C-N 3.26Å; M75-D77 PolarHBondContact O-N 2.95Å
78L76.1Confident73.6Confident16 Ų1681 Ų818%0.08441%0.407CS..  trans-64131.8177.9-69.3174.2000111.3Q82 K83 L86 K121L78-Q82 HydrophobicContact CB-CB 4.5Å; L78-Q82 VanDerWaalsContact CD2-OE1 3.32Å; L78-K83 HydrophobicContact CB-CG 3.94Å; L78-K83 WeakPolarHBondContact O-CE 3.42Å; L78-L86 HydrophobicContact CD1-CD1 3.75Å; L78-K121 HydrophobicContact CD2-CD 4.32Å; L78-K121 HydrophobicContact CD2-CG 4.48Å
79P83.9Confident74.6Confident76 Ų7674.4 Ų74.449%0.49438%0.376SS..  trans-53.4145.7173.3-26.332.5000112.2K81 Q82 K83P79-K81 PolarHBondContact O-N 3.27Å; P79-Q82 WeakPolarHBondContact O-CA 3.49Å; P79-Q82 WeakPolarHBondContact O-CB 3.38Å; P79-Q82 PolarHBondContact O-N 2.73Å; P79-K83 PolarHBondContact O-N 2.86Å; P79-K83 VanDerWaalsContact O-N 3.09Å
80E83Confident75.7Confident122 Ų12268.4 Ų68.457%0.5735%0.348SS*.Hα-helixtrans-52.5-35.6-178.7-175.555.4-150.100113Q82 K83 H84E80-Q82 VanDerWaalsContact C-N 3.35Å; E80-Q82 PolarHBondContact O-N 3.39Å; E80-K83 PolarHBondContact O-N 2.94Å; E80-H84 WeakPolarHBondContact O-CB 3.31Å; E80-H84 PolarHBondContact O-N 3.49Å
81K84.9Confident77.2Confident98 Ų9867 Ų6743%0.42634%0.341SS..Hα-helixtrans-59.9-41.6174179.1-177.1173.5-179.30112.9P79 Q85 M422P79-K81 PolarHBondContact O-N 3.27Å; K81-Q85 VanDerWaalsContact O-CG 3.24Å; K81-Q85 WeakPolarHBondContact O-CG 3.44Å; K81-Q85 PolarHBondContact O-N 3.31Å; K81-Q85 VanDerWaalsContact O-N 3.11Å; K81-M422 HydrophobicContact CD-CE 3.99Å; K81-M422 HydrophobicContact CD-SD 3.65Å; K81-M422 WeakPolarHBondContact CE-SD 3.48Å; K81-M422 HydrophobicContact CG-CE 4.36Å; K81-M422 HydrophobicContact CG-SD 3.92Å
82Q86.8Confident79.1Confident63 Ų6358.2 Ų58.229%0.29430%0.3SS..Hα-helixtrans-74.1-41.3-179.7-74-174.2-17.300111L78 P79 E80 H84 Q85 L86 L124L78-Q82 HydrophobicContact CB-CB 4.5Å; L78-Q82 VanDerWaalsContact CD2-OE1 3.32Å; P79-Q82 WeakPolarHBondContact O-CA 3.49Å; P79-Q82 WeakPolarHBondContact O-CB 3.38Å; P79-Q82 PolarHBondContact O-N 2.73Å; E80-Q82 VanDerWaalsContact C-N 3.35Å; E80-Q82 PolarHBondContact O-N 3.39Å; Q82-H84 VanDerWaalsContact C-N 3.34Å; Q82-H84 PolarHBondContact O-N 2.87Å; Q82-Q85 PolarHBondContact O-N 3.2Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; Q82-L86 PolarHBondContact O-N 3.21Å; Q82-L124 HydrophobicContact CB-CD1 3.68Å; Q82-L124 HydrophobicContact CG-CD1 3.88Å
83K83.8Confident81Confident72 Ų7256.4 Ų56.431%0.31329%0.29SS..Hα-helixtrans-57.2-46.2171.7-67.9-177.1176173.10111.6A76 L78 P79 E80 Q85 L86 R87A76-K83 PolarHBondContact O-NZ 3.25Å; L78-K83 HydrophobicContact CB-CG 3.94Å; L78-K83 WeakPolarHBondContact O-CE 3.42Å; P79-K83 PolarHBondContact O-N 2.86Å; P79-K83 VanDerWaalsContact O-N 3.09Å; E80-K83 PolarHBondContact O-N 2.94Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; K83-Q85 PolarHBondContact O-N 3.44Å; K83-L86 PolarHBondContact O-N 2.97Å; K83-R87 PolarHBondContact O-N 3.4Å
84H86.4Confident82.8Confident36 Ų3651.7 Ų51.717%0.16726%0.257CS..Hα-helixtrans-58.4-41.6173.8175.678.1000112.7E80 Q82 H88 L420 P423E80-H84 WeakPolarHBondContact O-CB 3.31Å; E80-H84 PolarHBondContact O-N 3.49Å; Q82-H84 VanDerWaalsContact C-N 3.34Å; Q82-H84 PolarHBondContact O-N 2.87Å; H84-H88 AromaticContact CD2-NE2 3.46Å; H84-H88 PolarHBondContact CD2-NE2 3.4Å; H84-H88 AromaticContact CE1-CE1 3.75Å; H84-H88 AromaticContact CE1-NE2 3.15Å; H84-H88 PolarHBondContact CE1-NE2 2.82Å; H84-H88 AromaticContact CG-NE2 3.84Å; H84-H88 AromaticContact ND1-NE2 3.66Å; H84-H88 AromaticContact NE2-CD2 3.94Å; H84-H88 AromaticContact NE2-CE1 3.96Å; H84-H88 AromaticContact NE2-NE2 3Å; H84-H88 PolarHBondContact NE2-NE2 3.18Å; H84-H88 PolarHBondContact O-CD2 2.87Å; H84-H88 PolarHBondContact O-NE2 3.47Å; H84-L420 PolarHBondContact NE2-O 2.68Å; H84-P423 HydrophobicContact CB-CG 4.08Å
85Q88.4Confident84.1Confident23 Ų2354.5 Ų54.511%0.10726%0.262CS..Hα-helixtrans-71.7-33.9179.3-72.1175.98.200113.4K81 Q82 K83 H88 L124 K421K81-Q85 VanDerWaalsContact O-CG 3.24Å; K81-Q85 WeakPolarHBondContact O-CG 3.44Å; K81-Q85 PolarHBondContact O-N 3.31Å; K81-Q85 VanDerWaalsContact O-N 3.11Å; Q82-Q85 PolarHBondContact O-N 3.2Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; K83-Q85 PolarHBondContact O-N 3.44Å; Q85-H88 PolarHBondContact O-N 3.08Å; Q85-L124 HydrophobicContact CB-CD2 3.94Å; Q85-K421 PolarHBondContact NE2-O 3.23Å
86L88.2Confident85.5Confident15 Ų1556.7 Ų56.78%0.07927%0.272CS..Hα-helixtrans-62.7-41.2173.8-79.3173000111.7L78 Q82 K83 H88 R89 E90 L120 L124L78-L86 HydrophobicContact CD1-CD1 3.75Å; Q82-L86 PolarHBondContact O-N 3.21Å; K83-L86 PolarHBondContact O-N 2.97Å; L86-H88 PolarHBondContact O-N 3.02Å; L86-R89 WeakPolarHBondContact O-CA 3.43Å; L86-R89 WeakPolarHBondContact O-CB 3.49Å; L86-R89 PolarHBondContact O-N 3.34Å; L86-E90 PolarHBondContact O-N 2.88Å; L86-L120 HydrophobicContact CD1-CB 4.32Å; L86-L120 HydrophobicContact CD2-CB 4.43Å; L86-L120 WeakPolarHBondContact CD2-O 3.25Å; L86-L124 HydrophobicContact CD1-CD1 4.35Å; L86-L124 HydrophobicContact CD2-CD1 4.29Å; L86-L124 HydrophobicContact CD2-CD2 3.7Å; L86-L124 HydrophobicContact CD2-CG 3.68Å; L86-L124 HydrophobicContact CG-CD1 4.04Å; L86-L124 HydrophobicContact CG-CD2 3.76Å; L86-L124 HydrophobicContact CG-CG 3.91Å
87R87.9Confident87Confident127 Ų12757.5 Ų57.548%0.47927%0.266SS..Hα-helixtrans-59-29.2176.2-69.2-178.4-175.8-179.23.3113.5R48 K83 R89R48-R87 WeakPolarHBondContact CD-O 3.49Å; K83-R87 PolarHBondContact O-N 3.4Å; R87-R89 VanDerWaalsContact C-N 3.31Å
88H90.4Very high88.3Confident37 Ų3753.4 Ų53.417%0.17124%0.243CC..THydrogen-bonded Turntrans-80-14.7175.2-56.7-54.4000113.7H84 Q85 L86 Y413H84-H88 AromaticContact CD2-NE2 3.46Å; H84-H88 PolarHBondContact CD2-NE2 3.4Å; H84-H88 AromaticContact CE1-CE1 3.75Å; H84-H88 AromaticContact CE1-NE2 3.15Å; H84-H88 PolarHBondContact CE1-NE2 2.82Å; H84-H88 AromaticContact CG-NE2 3.84Å; H84-H88 AromaticContact ND1-NE2 3.66Å; H84-H88 AromaticContact NE2-CD2 3.94Å; H84-H88 AromaticContact NE2-CE1 3.96Å; H84-H88 AromaticContact NE2-NE2 3Å; H84-H88 PolarHBondContact NE2-NE2 3.18Å; H84-H88 PolarHBondContact O-CD2 2.87Å; H84-H88 PolarHBondContact O-NE2 3.47Å; Q85-H88 PolarHBondContact O-N 3.08Å; L86-H88 PolarHBondContact O-N 3.02Å; H88-Y413 PolarHBondContact CD2-OH 2.76Å
89R92.3Very high89.2Confident13 Ų1355.6 Ų55.65%0.04926%0.26CS..THydrogen-bonded Turntrans-91.6-13.8176.2-73.3-172.5162.6119.5-27.5113L86 R87 Y123 L124 R126 A129 F130 F131 Y417L86-R89 WeakPolarHBondContact O-CA 3.43Å; L86-R89 WeakPolarHBondContact O-CB 3.49Å; L86-R89 PolarHBondContact O-N 3.34Å; R87-R89 VanDerWaalsContact C-N 3.31Å; R89-Y123 WeakPolarHBondContact CD-O 3.34Å; R89-Y123 PolarHBondContact NE-O 2.83Å; R89-Y123 PolarHBondContact NH2-O 2.84Å; R89-L124 PolarHBondContact NH2-O 3.01Å; R89-R126 PolarHBondContact NH2-O 3.28Å; R89-A129 WeakPolarHBondContact CD-O 3.39Å; R89-A129 WeakPolarHBondContact CG-O 3.49Å; R89-A129 PolarHBondContact NE-O 2.86Å; R89-F130 HydrophobicContact CB-CD1 4.39Å; R89-F130 CarbonylContact O-C 3.34Å; R89-F130 VanDerWaalsContact O-CA 3.22Å; R89-F130 WeakPolarHBondContact O-CA 3.44Å; R89-F130 VanDerWaalsContact O-CB 3.27Å; R89-F130 WeakPolarHBondContact O-CB 3.46Å; R89-F130 WeakPolarHBondContact O-CD1 3.4Å; R89-F131 HydrophobicContact CB-CD1 4.4Å; R89-F131 HydrophobicContact CB-CE1 4.24Å; R89-F131 PolarHBondContact O-N 3.07Å; R89-Y417 HydrophobicContact CG-CD1 4.06Å; R89-Y417 HydrophobicContact CG-CE1 3.86Å
90E92.4Very high89.7Confident11 Ų1153.9 Ų53.95%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-75.2132.1171-171.9-175.8-174.500111.2R48 L86 F131R48-E90 IonicContact CZ-OE2 2.68Å; R48-E90 IonicContact NE-OE2 2.74Å; R48-E90 PolarHBondContact NE-OE2 3.05Å; R48-E90 IonicContact NH2-OE1 2.76Å; R48-E90 IonicContact NH2-OE2 3.79Å; R48-E90 PolarHBondContact NH2-OE2 3.37Å; L86-E90 PolarHBondContact O-N 2.88Å; E90-F131 CarbonylContact C-O 3.6Å; E90-F131 WeakPolarHBondContact CA-O 3.38Å; E90-F131 HydrophobicContact CB-CE1 4.34Å; E90-F131 HydrophobicContact CB-CE2 3.91Å; E90-F131 HydrophobicContact CB-CZ 3.74Å; E90-F131 HydrophobicContact CG-CD2 4.48Å; E90-F131 HydrophobicContact CG-CE2 3.83Å; E90-F131 HydrophobicContact CG-CZ 4.17Å
91L94.9Very high90.2Very high1 Ų150.5 Ų50.51%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-125.7160.4176-60.4175.9000110.3I24 F45 Y46 R47 V111 F130 F131 Y132I24-L91 HydrophobicContact CB-CD1 4.11Å; I24-L91 HydrophobicContact CD1-CD1 3.72Å; I24-L91 HydrophobicContact CD1-CD2 3.79Å; I24-L91 HydrophobicContact CD1-CG 4.36Å; I24-L91 HydrophobicContact CG2-CD1 3.71Å; F45-L91 HydrophobicContact CB-CB 4.18Å; F45-L91 HydrophobicContact CB-CD1 3.95Å; F45-L91 HydrophobicContact CB-CG 4.48Å; F45-L91 HydrophobicContact CD1-CB 3.93Å; F45-L91 HydrophobicContact CD1-CD1 4.14Å; F45-L91 HydrophobicContact CG-CB 4.48Å; F45-L91 HydrophobicContact CG-CD1 4.18Å; Y46-L91 CarbonylContact O-C 3.53Å; Y46-L91 WeakPolarHBondContact O-CA 3.4Å; R47-L91 HydrophobicContact CG-CD2 3.87Å; L91-V111 HydrophobicContact CD1-CG1 4.07Å; L91-V111 HydrophobicContact CD1-CG2 4Å; L91-F130 HydrophobicContact CD1-CB 3.56Å; L91-F130 HydrophobicContact CD1-CD1 3.92Å; L91-F130 HydrophobicContact CD1-CG 3.79Å; L91-F130 HydrophobicContact CD2-CD1 4.21Å; L91-F130 HydrophobicContact CG-CB 4.06Å; L91-F130 HydrophobicContact CG-CD1 4.01Å; L91-F130 HydrophobicContact CG-CG 4.3Å; L91-F131 PolarHBondContact N-O 3.22Å; L91-Y132 VanDerWaalsContact O-CA 3.32Å; L91-Y132 WeakPolarHBondContact O-CA 3.41Å; L91-Y132 WeakPolarHBondContact O-CB 3.43Å
92F95Very high90.7Very high0 Ų046 Ų460%022%0.215CC..EExtended strand (participates in β ladder)trans-114.3119.8173.5-57-88.8000109.1F45 Y46 R48 I51 A59 S94 L134 L143F45-F92 WeakPolarHBondContact CA-O 3.33Å; Y46-F92 PolarHBondContact N-O 2.96Å; Y46-F92 WeakPolarHBondContact O-CD2 3.17Å; Y46-F92 PolarHBondContact O-N 3.05Å; R48-F92 HydrophobicContact CG-CE2 3.78Å; R48-F92 HydrophobicContact CG-CZ 4.24Å; I51-F92 HydrophobicContact CD1-CD1 4.3Å; I51-F92 HydrophobicContact CD1-CD2 3.77Å; I51-F92 HydrophobicContact CD1-CE1 3.96Å; I51-F92 HydrophobicContact CD1-CE2 3.42Å; I51-F92 VanDerWaalsContact CD1-CE2 3.42Å; I51-F92 HydrophobicContact CD1-CG 4.21Å; I51-F92 HydrophobicContact CD1-CZ 3.54Å; I51-F92 HydrophobicContact CG1-CD2 4.49Å; I51-F92 HydrophobicContact CG1-CE2 4.28Å; A59-F92 HydrophobicContact CB-CE1 3.75Å; A59-F92 HydrophobicContact CB-CZ 3.78Å; F92-S94 PolarHBondContact O-N 3.25Å; F92-L134 HydrophobicContact CD1-CB 3.83Å; F92-L134 HydrophobicContact CD1-CD1 4.37Å; F92-L134 HydrophobicContact CE1-CB 4.14Å; F92-L134 HydrophobicContact CE1-CD1 3.83Å; F92-L143 HydrophobicContact CD1-CD1 4.48Å; F92-L143 HydrophobicContact CD1-CD2 3.47Å; F92-L143 VanDerWaalsContact CD1-CD2 3.47Å; F92-L143 HydrophobicContact CE1-CD1 4.12Å; F92-L143 HydrophobicContact CE1-CD2 3.94Å; F92-L143 HydrophobicContact CG-CD2 4.26Å
93L94.4Very high90.9Very high19 Ų1947.1 Ų47.110%0.09923%0.227CC..EExtended strand (participates in β ladder)trans-69.6128.3177.9171.962.5000109.3V43 F45 Y132 L134 V135 Y136V43-L93 HydrophobicContact CG1-CD1 3.46Å; V43-L93 VanDerWaalsContact CG1-CD1 3.46Å; F45-L93 HydrophobicContact CD1-CB 4.46Å; F45-L93 HydrophobicContact CE1-CB 4.04Å; F45-L93 HydrophobicContact CE1-CD1 3.84Å; F45-L93 HydrophobicContact CE2-CD1 4.29Å; F45-L93 HydrophobicContact CZ-CD1 3.69Å; L93-Y132 HydrophobicContact CB-CD2 3.59Å; L93-Y132 HydrophobicContact CB-CE2 3.82Å; L93-Y132 HydrophobicContact CB-CG 4.25Å; L93-Y132 HydrophobicContact CD2-CD2 4.26Å; L93-Y132 HydrophobicContact CD2-CE2 3.59Å; L93-Y132 HydrophobicContact CG-CE2 4.3Å; L93-L134 PolarHBondContact N-O 3.18Å; L93-L134 VanDerWaalsContact N-O 3.15Å; L93-V135 CarbonylContact O-C 3.49Å; L93-V135 VanDerWaalsContact O-CA 3.3Å; L93-V135 WeakPolarHBondContact O-CA 3.5Å; L93-V135 WeakPolarHBondContact O-CG1 3.27Å; L93-Y136 PolarHBondContact O-N 3.18Å
94S93Very high91.3Very high0 Ų046.2 Ų46.20%022%0.224CC..EExtended strand (participates in β ladder)trans-112.5131.7169.9-175.90000110.9V43 C44 Y46 F92 Q96 Y136 P138V43-S94 WeakPolarHBondContact CG1-O 3.41Å; C44-S94 WeakPolarHBondContact O-CB 3.34Å; C44-S94 PolarHBondContact O-N 2.93Å; Y46-S94 VanDerWaalsContact CE2-CB 3.41Å; F92-S94 PolarHBondContact O-N 3.25Å; S94-Q96 PolarHBondContact O-N 2.82Å; S94-Q96 VanDerWaalsContact O-N 3.13Å; S94-Q96 WeakPolarHBondContact OG-CB 3.44Å; S94-Q96 PolarHBondContact OG-N 3.16Å; S94-Y136 WeakPolarHBondContact CA-O 3.5Å; S94-Y136 PolarHBondContact OG-O 2.99Å; S94-P138 WeakPolarHBondContact OG-CD 3.27Å; S94-P138 WeakPolarHBondContact OG-CG 3.47Å
95R82.5Confident91.7Very high188 Ų18844.6 Ų44.671%0.70922%0.216SC*.EExtended strand (participates in β ladder)trans-73.33.2174.5-61.6-176.7-179.61751.1113.1V135 D146R95-V135 HydrophobicContact CG-CG1 4.27Å; R95-D146 IonicContact NH2-OD1 3.18Å
96Q85.9Confident91.9Very high65 Ų6546.7 Ų46.730%0.30422%0.223SC..EExtended strand (participates in β ladder)trans-73.4129.9173.7-174.4177.7-10.800111.1C44 S94 P138C44-Q96 PolarHBondContact N-O 3.32Å; C44-Q96 PolarHBondContact SG-O 2.91Å; S94-Q96 PolarHBondContact O-N 2.82Å; S94-Q96 VanDerWaalsContact O-N 3.13Å; S94-Q96 WeakPolarHBondContact OG-CB 3.44Å; S94-Q96 PolarHBondContact OG-N 3.16Å; Q96-P138 HydrophobicContact CB-CG 4.16Å
97L91.6Very high92.1Very high85 Ų8546.7 Ų46.745%0.44523%0.227SC..EExtended strand (participates in β ladder)trans-100135.5175.2-67.4161.3000110.1E28 V42 V43E28-L97 HydrophobicContact CB-CD2 4.41Å; E28-L97 HydrophobicContact CG-CD2 3.79Å; V42-L97 WeakPolarHBondContact O-CA 3.4Å; V43-L97 HydrophobicContact CG2-CD2 3.59Å
98E93.4Very high92.4Very high55 Ų5544.3 Ų44.326%0.25722%0.22SC..EExtended strand (participates in β ladder)trans-125148.9172.1-65.9-178.1-177.200109.8R25 K41 V42R25-E98 IonicContact CZ-OE2 2.84Å; R25-E98 IonicContact NH1-OE2 2.68Å; R25-E98 PolarHBondContact NH1-OE2 2.74Å; R25-E98 IonicContact NH2-OE2 3.71Å; R25-E98 PolarHBondContact NH2-OE2 3.18Å; K41-E98 CarbonylContact C-O 2.95Å; K41-E98 WeakPolarHBondContact CA-O 3.35Å; V42-E98 HydrophobicContact CG2-CB 4.44Å; V42-E98 VanDerWaalsContact CG2-O 3.23Å; V42-E98 WeakPolarHBondContact CG2-O 3.36Å; V42-E98 PolarHBondContact N-O 3.33Å; V42-E98 PolarHBondContact O-N 3.06Å
99S94Very high92.7Very high62 Ų6243.3 Ų43.343%0.43422%0.217SC..EExtended strand (participates in β ladder)trans-106.8123.4170.4-163.70000108.8E39E39-S99 PolarHBondContact OE2-OG 2.74Å
100L94.2Very high92.7Very high39 Ų3944.3 Ų44.320%0.20423%0.226CC..EExtended strand (participates in β ladder)trans-134.8151.8-179.6-66173.9000110.4F14 E39 A40 A102F14-L100 HydrophobicContact CD1-CB 4.38Å; F14-L100 HydrophobicContact CD1-CD1 3.97Å; F14-L100 HydrophobicContact CE1-CB 3.87Å; F14-L100 HydrophobicContact CE1-CD1 4.18Å; E39-L100 WeakPolarHBondContact CA-O 3.27Å; A40-L100 PolarHBondContact N-O 3.25Å; A40-L100 PolarHBondContact O-N 2.69Å; L100-A102 PolarHBondContact O-N 3.33Å
101P94.6Very high92.8Very high51 Ų5143.9 Ų43.933%0.33122%0.224SC..EExtended strand (participates in β ladder)trans-55.6131.7173.6-25.434.6000111.4T103 H104P101-T103 PolarHBondContact O-N 3.06Å; P101-T103 VanDerWaalsContact O-N 3.11Å; P101-H104 WeakPolarHBondContact O-CB 3.42Å; P101-H104 PolarHBondContact O-N 3.15Å; P101-H104 VanDerWaalsContact O-N 3.09Å
102A93.7Very high92.6Very high3 Ų345.8 Ų45.83%0.02524%0.236CC..G310 helixtrans-59.4-28179.600000111.5V38 L100 H104 I105 V337 I339V38-A102 HydrophobicContact CB-CB 4.1Å; V38-A102 HydrophobicContact CG1-CB 3.98Å; V38-A102 WeakPolarHBondContact O-CB 3Å; V38-A102 PolarHBondContact O-N 2.94Å; L100-A102 PolarHBondContact O-N 3.33Å; A102-H104 PolarHBondContact O-N 3.1Å; A102-I105 WeakPolarHBondContact O-CB 3.35Å; A102-I105 WeakPolarHBondContact O-CG1 3.33Å; A102-I105 PolarHBondContact O-N 2.93Å; A102-V337 HydrophobicContact CB-CG1 4.44Å; A102-I339 HydrophobicContact CB-CD1 4.25Å; A102-I339 WeakPolarHBondContact O-CD1 3.32Å
103T92.1Very high92.3Very high87 Ų8747.2 Ų47.253%0.53424%0.243SC..G310 helixtrans-59-13.8176.757.30000114.9P101 I105 R106P101-T103 PolarHBondContact O-N 3.06Å; P101-T103 VanDerWaalsContact O-N 3.11Å; T103-I105 VanDerWaalsContact C-N 3.3Å; T103-R106 PolarHBondContact O-NH1 3.41Å
104H92.9Very high91.8Very high53 Ų5346.6 Ų46.625%0.24524%0.24CC..G310 helixtrans-77.8-12173.1-69177.2000113.5F14 E15 P101 A102F14-H104 WeakPolarHBondContact CA-O 3.47Å; F14-H104 HydrophobicContact CD1-CB 3.61Å; F14-H104 HydrophobicContact CE1-CB 3.99Å; E15-H104 PolarHBondContact N-O 3.37Å; P101-H104 WeakPolarHBondContact O-CB 3.42Å; P101-H104 PolarHBondContact O-N 3.15Å; P101-H104 VanDerWaalsContact O-N 3.09Å; A102-H104 PolarHBondContact O-N 3.1Å
105I94.5Very high90.8Very high3 Ų349.2 Ų49.22%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-71.9131.9177.5-60.8164.8000109.6Y6 V12 Y13 F14 I27 A102 T103 I339Y6-I105 HydrophobicContact CD1-CG2 3.64Å; Y6-I105 HydrophobicContact CD2-CG2 4.36Å; Y6-I105 HydrophobicContact CE1-CG2 3.26Å; Y6-I105 HydrophobicContact CE2-CG2 4.07Å; Y6-I105 HydrophobicContact CG-CG2 4.16Å; Y6-I105 VanDerWaalsContact CZ-CG2 3.49Å; V12-I105 HydrophobicContact CB-CG2 3.9Å; V12-I105 HydrophobicContact CG1-CG2 3.99Å; V12-I105 HydrophobicContact CG2-CD1 4.44Å; V12-I105 HydrophobicContact CG2-CG1 4.29Å; Y13-I105 CarbonylContact O-C 3.45Å; Y13-I105 WeakPolarHBondContact O-CA 3.35Å; F14-I105 HydrophobicContact CD1-CG1 4.46Å; F14-I105 HydrophobicContact CD2-CG1 4.09Å; F14-I105 HydrophobicContact CE1-CG1 3.92Å; F14-I105 HydrophobicContact CE2-CD1 4.12Å; F14-I105 HydrophobicContact CE2-CG1 3.55Å; F14-I105 HydrophobicContact CZ-CD1 3.88Å; F14-I105 HydrophobicContact CZ-CG1 3.43Å; F14-I105 VanDerWaalsContact CZ-CG1 3.43Å; I27-I105 HydrophobicContact CD1-CD1 3.95Å; A102-I105 WeakPolarHBondContact O-CB 3.35Å; A102-I105 WeakPolarHBondContact O-CG1 3.33Å; A102-I105 PolarHBondContact O-N 2.93Å; T103-I105 VanDerWaalsContact C-N 3.3Å; I105-I339 HydrophobicContact CB-CD1 3.66Å; I105-I339 HydrophobicContact CD1-CD1 3.76Å; I105-I339 HydrophobicContact CG1-CD1 4.19Å; I105-I339 HydrophobicContact CG2-CD1 4.27Å
106R92.1Very high89.8Confident66 Ų6646.4 Ų46.425%0.24925%0.249CC..EExtended strand (participates in β ladder)trans-117.1-12.1-177.5-62.7-56.7-174.2-133.7-2.2114.6Y13 E15 L22 T103 Y342Y13-R106 PolarHBondContact O-N 3.18Å; E15-R106 HydrophobicContact CB-CG 3.66Å; E15-R106 IonicContact OE2-CZ 3.53Å; E15-R106 IonicContact OE2-NE 2.82Å; E15-R106 PolarHBondContact OE2-NE 3.33Å; E15-R106 IonicContact OE2-NH2 3.9Å; E15-R106 PolarHBondContact OE2-NH2 3.38Å; L22-R106 HydrophobicContact CD2-CB 4.32Å; L22-R106 HydrophobicContact CD2-CG 4.09Å; T103-R106 PolarHBondContact O-NH1 3.41Å; R106-Y342 VanDerWaalsContact NH1-CB 3.3Å; R106-Y342 VanDerWaalsContact NH2-CE1 3.34Å; R106-Y342 VanDerWaalsContact NH2-CZ 3.34Å
107G93Very high88.5Confident16 Ų1649.7 Ų49.717%0.16527%0.273CS..EExtended strand (participates in β ladder)trans171.9169.9-179.800000111.8Y6 V12 Y13Y6-G107 WeakPolarHBondContact OH-CA 3.46Å; Y6-G107 PolarHBondContact OH-N 3.37Å; V12-G107 CarbonylContact C-O 3.58Å; V12-G107 WeakPolarHBondContact CA-O 3.44Å; Y13-G107 PolarHBondContact N-O 2.82Å
108K94.4Very high87.5Confident77 Ų7748.4 Ų48.434%0.33527%0.265SS..EExtended strand (participates in β ladder)trans-93.3155.5173.5-60.7-167.5-173.9-166.50110.9M5 Y6 D10 Y11 V12M5-K108 WeakPolarHBondContact O-CE 3.49Å; M5-K108 PolarHBondContact O-NZ 3.27Å; Y6-K108 HydrophobicContact CD1-CD 4.41Å; Y6-K108 HydrophobicContact CD1-CG 3.81Å; Y6-K108 HydrophobicContact CE1-CG 3.62Å; D10-K108 IonicContact OD1-NZ 3.33Å; D10-K108 WeakPolarHBondContact OD2-CE 3.49Å; D10-K108 IonicContact OD2-NZ 2.74Å; D10-K108 PolarHBondContact OD2-NZ 3.44Å; Y11-K108 WeakPolarHBondContact O-CA 3.49Å; V12-K108 HydrophobicContact CG1-CG 4.42Å
109C94.9Very high86.7Confident16 Ų1647.8 Ų47.811%0.10827%0.269CS..EExtended strand (participates in β ladder)trans-139.4175.8169.258.60000109.1Y11 Y13 D128 F130Y11-C109 VanDerWaalsContact C-SG 3.59Å; Y11-C109 WeakPolarHBondContact CB-O 3.14Å; Y11-C109 PolarHBondContact O-N 3Å; Y13-C109 HydrophobicContact CD2-CB 4.33Å; Y13-C109 HydrophobicContact CE1-CB 4.1Å; Y13-C109 HydrophobicContact CE2-CB 3.83Å; C109-D128 WeakPolarHBondContact CA-O 3.34Å; C109-D128 HydrophobicContact CB-CB 4.13Å; C109-D128 WeakPolarHBondContact CB-O 3.33Å; C109-F130 HydrophobicContact CB-CD2 4.25Å; C109-F130 HydrophobicContact CB-CE2 4.06Å
110C94Very high86Confident34 Ų3445.7 Ų45.723%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-120.1124.3175.4-175.10000108R126 D128 A129 F130C110-R126 PolarHBondContact SG-NH2 3.42Å; C110-D128 PolarHBondContact N-O 3.47Å; C110-A129 CarbonylContact O-C 3.59Å; C110-A129 WeakPolarHBondContact O-CA 3.35Å; C110-F130 PolarHBondContact O-N 2.84Å
111V94Very high85.5Confident2 Ų248.5 Ų48.51%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-124.5124174.1-171.10000107.5Y11 I24 F45 L91 F130 Y132Y11-V111 HydrophobicContact CD1-CB 3.59Å; Y11-V111 HydrophobicContact CD1-CG2 3.62Å; Y11-V111 HydrophobicContact CD2-CB 4.3Å; Y11-V111 HydrophobicContact CE1-CB 3.75Å; Y11-V111 HydrophobicContact CE1-CG1 4.48Å; Y11-V111 HydrophobicContact CE1-CG2 4.28Å; Y11-V111 HydrophobicContact CE2-CB 4.43Å; Y11-V111 WeakPolarHBondContact CE2-O 3.45Å; Y11-V111 HydrophobicContact CG-CB 3.88Å; Y11-V111 HydrophobicContact CG-CG2 3.81Å; Y11-V111 VanDerWaalsContact CZ-O 3.28Å; I24-V111 HydrophobicContact CG2-CG2 3.75Å; F45-V111 HydrophobicContact CD1-CG1 4.13Å; F45-V111 HydrophobicContact CE1-CG1 3.71Å; F45-V111 HydrophobicContact CZ-CG1 4.08Å; L91-V111 HydrophobicContact CD1-CG1 4.07Å; L91-V111 HydrophobicContact CD1-CG2 4Å; V111-F130 WeakPolarHBondContact CA-O 3.5Å; V111-F130 HydrophobicContact CG1-CB 4.37Å; V111-F130 HydrophobicContact CG2-CB 4.15Å; V111-Y132 HydrophobicContact CG1-CD1 3.86Å; V111-Y132 HydrophobicContact CG1-CE1 4.43Å
112T90.4Very high85Confident41 Ų4148.5 Ų48.525%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-123150.8-179.638.90000110.5Y123 F130 F131 Y132T112-Y123 WeakPolarHBondContact OG1-CE1 3.32Å; T112-Y123 PolarHBondContact OG1-OH 3.11Å; T112-F130 PolarHBondContact N-O 2.95Å; T112-F130 VanDerWaalsContact N-O 3.13Å; T112-F131 CarbonylContact O-C 3.57Å; T112-F131 WeakPolarHBondContact O-CA 3.1Å; T112-Y132 VanDerWaalsContact O-CD1 3.32Å; T112-Y132 WeakPolarHBondContact O-CD1 3.49Å; T112-Y132 PolarHBondContact O-N 3.38Å; T112-Y132 VanDerWaalsContact O-N 3.08Å
113L88.1Confident84.7Confident30 Ų3048.6 Ų48.616%0.15727%0.265CS..EExtended strand (participates in β ladder)trans-70130.8169.4176.563.6000107.3N115 Y132L113-N115 PolarHBondContact O-N 2.88Å; L113-Y132 HydrophobicContact CB-CE1 3.99Å; L113-Y132 HydrophobicContact CD1-CD2 4.13Å; L113-Y132 HydrophobicContact CD1-CE2 3.75Å; L113-Y132 WeakPolarHBondContact CD1-O 3.46Å
114L84.1Confident84.5Confident6 Ų645.6 Ų45.63%0.03125%0.245CC..  trans-68.8104.7176.2-177.363.7000109.2L66 L120 Y123 F131 Y132L66-L114 HydrophobicContact CD2-CD2 3.64Å; L114-L120 HydrophobicContact CD1-CD2 3.59Å; L114-L120 HydrophobicContact CD1-CG 4.21Å; L114-L120 HydrophobicContact CD2-CD2 3.93Å; L114-L120 HydrophobicContact CG-CD2 4.43Å; L114-Y123 HydrophobicContact CD1-CE2 4.23Å; L114-F131 HydrophobicContact CB-CB 4.41Å; L114-F131 HydrophobicContact CB-CD2 3.99Å; L114-F131 HydrophobicContact CD1-CD2 4.49Å; L114-F131 HydrophobicContact CD2-CD2 3.98Å; L114-F131 HydrophobicContact CD2-CE2 4.03Å; L114-F131 HydrophobicContact CG-CD2 4.39Å; L114-Y132 PolarHBondContact N-O 2.84Å
115N71.5Confident84.2Confident55 Ų5549.1 Ų49.129%0.29427%0.266SS..  trans-86.1154.5174.7-69-23.9000110.7L113 T117 E118L113-N115 PolarHBondContact O-N 2.88Å; N115-T117 PolarHBondContact O-N 2.79Å; N115-T117 VanDerWaalsContact O-N 3.16Å; N115-E118 HydrophobicContact CB-CG 4.22Å; N115-E118 PolarHBondContact O-N 2.74Å
116E61.6Low83.9Confident129 Ų12955.3 Ų55.360%0.60329%0.289SS*.THydrogen-bonded Turntrans-62.1-22.1179.8-72.5161.7-162.200113.4M70 K147M70-E116 WeakPolarHBondContact CE-O 3.36Å; E116-K147 IonicContact OE1-NZ 3.68Å; E116-K147 PolarHBondContact OE1-NZ 2.75Å
117T59.4Low83.6Confident133 Ų13359.8 Ų59.882%0.81631%0.313SS*.THydrogen-bonded Turntrans-93.7-8.7-178.854.80000113.8N115N115-T117 PolarHBondContact O-N 2.79Å; N115-T117 VanDerWaalsContact O-N 3.16Å
118E70.1Confident83.5Confident58 Ų5860.6 Ų60.627%0.27131%0.313SS..SBendtrans-90.5123.3-177.3-71.5-175.3178.400111.8N115 L120 Y123N115-E118 HydrophobicContact CB-CG 4.22Å; N115-E118 PolarHBondContact O-N 2.74Å; E118-L120 PolarHBondContact O-N 3.41Å; E118-Y123 PolarHBondContact OE2-OH 2.81Å
119A77Confident83.4Confident42 Ų4257 Ų5735%0.34730%0.298SS..  trans-70.7122.1173.800000110.7K121 S122A119-K121 PolarHBondContact O-N 2.93Å; A119-K121 VanDerWaalsContact O-N 3.1Å; A119-S122 VanDerWaalsContact O-CB 3.32Å; A119-S122 WeakPolarHBondContact O-CB 2.92Å; A119-S122 PolarHBondContact O-N 3.13Å; A119-S122 PolarHBondContact O-OG 3.26Å
120L79.8Confident83.4Confident18 Ų1856.2 Ų56.29%0.09429%0.293CS..THydrogen-bonded Turntrans-54.8-32.3178.6-83.4177.2000113.1M75 L86 L114 E118 S122 Y123 F131M75-L120 HydrophobicContact CE-CD1 3.66Å; M75-L120 HydrophobicContact CE-CG 4.38Å; M75-L120 HydrophobicContact SD-CB 3.73Å; M75-L120 HydrophobicContact SD-CD1 3.27Å; M75-L120 WeakPolarHBondContact SD-CD1 3.33Å; M75-L120 HydrophobicContact SD-CG 3.88Å; L86-L120 HydrophobicContact CD1-CB 4.32Å; L86-L120 HydrophobicContact CD2-CB 4.43Å; L86-L120 WeakPolarHBondContact CD2-O 3.25Å; L114-L120 HydrophobicContact CD1-CD2 3.59Å; L114-L120 HydrophobicContact CD1-CG 4.21Å; L114-L120 HydrophobicContact CD2-CD2 3.93Å; L114-L120 HydrophobicContact CG-CD2 4.43Å; E118-L120 PolarHBondContact O-N 3.41Å; L120-S122 PolarHBondContact O-N 3.48Å; L120-Y123 HydrophobicContact CD2-CD2 4.47Å; L120-Y123 WeakPolarHBondContact O-CB 3.44Å; L120-Y123 PolarHBondContact O-N 3.35Å; L120-F131 HydrophobicContact CD2-CD1 4.09Å; L120-F131 HydrophobicContact CD2-CD2 4.31Å; L120-F131 HydrophobicContact CD2-CE1 3.7Å; L120-F131 HydrophobicContact CD2-CE2 3.93Å; L120-F131 HydrophobicContact CD2-CG 4.38Å; L120-F131 HydrophobicContact CD2-CZ 3.61Å
121K82.5Confident83.4Confident99 Ų9955.1 Ų55.143%0.4328%0.284SS..THydrogen-bonded Turntrans-58.6-32.5177-171178.7177.4-176.70113.1L78 A119 Y123 L124L78-K121 HydrophobicContact CD2-CD 4.32Å; L78-K121 HydrophobicContact CD2-CG 4.48Å; A119-K121 PolarHBondContact O-N 2.93Å; A119-K121 VanDerWaalsContact O-N 3.1Å; K121-Y123 PolarHBondContact O-N 3.29Å; K121-Y123 VanDerWaalsContact O-N 3.17Å; K121-L124 WeakPolarHBondContact O-CA 3.28Å; K121-L124 VanDerWaalsContact O-CB 3.29Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.44Å
122S86.1Confident83.3Confident50 Ų5055.4 Ų55.435%0.3529%0.285SS..Hα-helixtrans-59.9-29179.269.90000113.1A119 L120 L124 D125 R126A119-S122 VanDerWaalsContact O-CB 3.32Å; A119-S122 WeakPolarHBondContact O-CB 2.92Å; A119-S122 PolarHBondContact O-N 3.13Å; A119-S122 PolarHBondContact O-OG 3.26Å; L120-S122 PolarHBondContact O-N 3.48Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 3.06Å; S122-D125 PolarHBondContact O-N 3.29Å; S122-R126 PolarHBondContact O-N 2.88Å
123Y87Confident83.2Confident6 Ų653.9 Ų53.92%0.02428%0.276CS..Hα-helixtrans-68.7-25.5174.1-69.6-88.5000112.3R89 T112 L114 E118 L120 K121 A129 F130 F131R89-Y123 WeakPolarHBondContact CD-O 3.34Å; R89-Y123 PolarHBondContact NE-O 2.83Å; R89-Y123 PolarHBondContact NH2-O 2.84Å; T112-Y123 WeakPolarHBondContact OG1-CE1 3.32Å; T112-Y123 PolarHBondContact OG1-OH 3.11Å; L114-Y123 HydrophobicContact CD1-CE2 4.23Å; E118-Y123 PolarHBondContact OE2-OH 2.81Å; L120-Y123 HydrophobicContact CD2-CD2 4.47Å; L120-Y123 WeakPolarHBondContact O-CB 3.44Å; L120-Y123 PolarHBondContact O-N 3.35Å; K121-Y123 PolarHBondContact O-N 3.29Å; K121-Y123 VanDerWaalsContact O-N 3.17Å; Y123-A129 HydrophobicContact CD1-CB 4.13Å; Y123-F130 WeakPolarHBondContact CE1-O 3.4Å; Y123-F131 HydrophobicContact CD1-CB 4.19Å; Y123-F131 HydrophobicContact CD1-CD1 4.13Å; Y123-F131 HydrophobicContact CD2-CD1 4.3Å; Y123-F131 HydrophobicContact CE1-CB 3.62Å; Y123-F131 HydrophobicContact CE1-CD1 4.39Å; Y123-F131 HydrophobicContact CE1-CG 4.46Å; Y123-F131 HydrophobicContact CE2-CB 4.29Å; Y123-F131 HydrophobicContact CG-CD1 4.08Å
124L87.1Confident83.3Confident23 Ų2352.7 Ų52.712%0.1227%0.27CS..Hα-helixtrans-71.2-36.8175.7-64.4179000112.7Q82 Q85 L86 R89 K121 S122 R126Q82-L124 HydrophobicContact CB-CD1 3.68Å; Q82-L124 HydrophobicContact CG-CD1 3.88Å; Q85-L124 HydrophobicContact CB-CD2 3.94Å; L86-L124 HydrophobicContact CD1-CD1 4.35Å; L86-L124 HydrophobicContact CD2-CD1 4.29Å; L86-L124 HydrophobicContact CD2-CD2 3.7Å; L86-L124 HydrophobicContact CD2-CG 3.68Å; L86-L124 HydrophobicContact CG-CD1 4.04Å; L86-L124 HydrophobicContact CG-CD2 3.76Å; L86-L124 HydrophobicContact CG-CG 3.91Å; R89-L124 PolarHBondContact NH2-O 3.01Å; K121-L124 WeakPolarHBondContact O-CA 3.28Å; K121-L124 VanDerWaalsContact O-CB 3.29Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.44Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 3.06Å; L124-R126 VanDerWaalsContact C-N 3.31Å
125D86.8Confident83.7Confident128 Ų12853.1 Ų53.168%0.68427%0.272SS*.Hα-helixtrans-75.4-22.2-175.5-59.6-31.2000112.5S122S122-D125 PolarHBondContact O-N 3.29Å
126R87.4Confident84.8Confident133 Ų13351.2 Ų51.250%0.50226%0.261SS..SBendtrans-96.8126.9176.7-66178.858.9-172.4-5.3111.8R89 C110 S122 L124 A129R89-R126 PolarHBondContact NH2-O 3.28Å; C110-R126 PolarHBondContact SG-NH2 3.42Å; S122-R126 PolarHBondContact O-N 2.88Å; L124-R126 VanDerWaalsContact C-N 3.31Å; R126-A129 HydrophobicContact CB-CB 3.61Å
127E86.3Confident86.2Confident160 Ų16047.3 Ų47.375%0.74825%0.245SC*.THydrogen-bonded Turntrans-68.9145.5167-63.9-162.5167.700110.6A129E127-A129 PolarHBondContact O-N 3.23Å; E127-A129 VanDerWaalsContact O-N 3.11Å
128D91Very high87.6Confident32 Ų3242.3 Ų42.317%0.17121%0.214CC..THydrogen-bonded Turntrans60.219.5178-58-41.5000114.9Y13 C109 C110 K416 Y417Y13-D128 HydrophobicContact CE2-CB 4.25Å; Y13-D128 WeakPolarHBondContact CE2-OD1 3.05Å; Y13-D128 PolarHBondContact OH-OD1 3.38Å; C109-D128 WeakPolarHBondContact CA-O 3.34Å; C109-D128 HydrophobicContact CB-CB 4.13Å; C109-D128 WeakPolarHBondContact CB-O 3.33Å; C110-D128 PolarHBondContact N-O 3.47Å; D128-K416 WeakPolarHBondContact OD1-CD 3.44Å; D128-K416 WeakPolarHBondContact OD1-CE 3.39Å; D128-K416 IonicContact OD1-NZ 2.82Å; D128-K416 PolarHBondContact OD1-NZ 3.45Å; D128-K416 IonicContact OD2-NZ 2.95Å; D128-K416 PolarHBondContact OD2-NZ 3.08Å; D128-Y417 PolarHBondContact N-OH 2.84Å; D128-Y417 VanDerWaalsContact N-OH 3.11Å
129A93.3Very high88.4Confident1 Ų147.5 Ų47.51%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-94.3133173.300000111.6R89 C110 Y123 R126 E127R89-A129 WeakPolarHBondContact CD-O 3.39Å; R89-A129 WeakPolarHBondContact CG-O 3.49Å; R89-A129 PolarHBondContact NE-O 2.86Å; C110-A129 CarbonylContact O-C 3.59Å; C110-A129 WeakPolarHBondContact O-CA 3.35Å; Y123-A129 HydrophobicContact CD1-CB 4.13Å; R126-A129 HydrophobicContact CB-CB 3.61Å; E127-A129 PolarHBondContact O-N 3.23Å; E127-A129 VanDerWaalsContact O-N 3.11Å
130F95Very high89Confident0 Ų052.2 Ų52.20%025%0.253CS..EExtended strand (participates in β ladder)trans-134.9161.5178.1-60.8-94.1000109.4Y13 I24 R89 L91 C109 C110 V111 T112 Y123 Y417Y13-F130 AromaticContact CE1-CE2 3.84Å; Y13-F130 HydrophobicContact CE1-CE2 3.84Å; Y13-F130 AromaticContact CE1-CZ 3.94Å; Y13-F130 HydrophobicContact CE1-CZ 3.94Å; Y13-F130 AromaticContact CZ-CE2 3.83Å; Y13-F130 WeakPolarHBondContact OH-CE2 3.33Å; Y13-F130 WeakPolarHBondContact OH-CZ 3.44Å; I24-F130 HydrophobicContact CD1-CD1 3.8Å; I24-F130 HydrophobicContact CD1-CD2 4.13Å; I24-F130 HydrophobicContact CD1-CE1 3.51Å; I24-F130 HydrophobicContact CD1-CE2 3.85Å; I24-F130 HydrophobicContact CD1-CG 4.13Å; I24-F130 HydrophobicContact CD1-CZ 3.55Å; R89-F130 HydrophobicContact CB-CD1 4.39Å; R89-F130 CarbonylContact O-C 3.34Å; R89-F130 VanDerWaalsContact O-CA 3.22Å; R89-F130 WeakPolarHBondContact O-CA 3.44Å; R89-F130 VanDerWaalsContact O-CB 3.27Å; R89-F130 WeakPolarHBondContact O-CB 3.46Å; R89-F130 WeakPolarHBondContact O-CD1 3.4Å; L91-F130 HydrophobicContact CD1-CB 3.56Å; L91-F130 HydrophobicContact CD1-CD1 3.92Å; L91-F130 HydrophobicContact CD1-CG 3.79Å; L91-F130 HydrophobicContact CD2-CD1 4.21Å; L91-F130 HydrophobicContact CG-CB 4.06Å; L91-F130 HydrophobicContact CG-CD1 4.01Å; L91-F130 HydrophobicContact CG-CG 4.3Å; C109-F130 HydrophobicContact CB-CD2 4.25Å; C109-F130 HydrophobicContact CB-CE2 4.06Å; C110-F130 PolarHBondContact O-N 2.84Å; V111-F130 WeakPolarHBondContact CA-O 3.5Å; V111-F130 HydrophobicContact CG1-CB 4.37Å; V111-F130 HydrophobicContact CG2-CB 4.15Å; T112-F130 PolarHBondContact N-O 2.95Å; T112-F130 VanDerWaalsContact N-O 3.13Å; Y123-F130 WeakPolarHBondContact CE1-O 3.4Å; F130-Y417 AromaticContact CE1-CD1 3.51Å; F130-Y417 HydrophobicContact CE1-CD1 3.51Å; F130-Y417 AromaticContact CE1-CE1 3.79Å; F130-Y417 HydrophobicContact CE1-CE1 3.79Å; F130-Y417 HydrophobicContact CE2-CE1 4.33Å; F130-Y417 AromaticContact CZ-CD1 3.62Å; F130-Y417 HydrophobicContact CZ-CD1 3.62Å; F130-Y417 AromaticContact CZ-CE1 3.57Å; F130-Y417 HydrophobicContact CZ-CE1 3.57Å
131F92.9Very high89.5Confident11 Ų1157.8 Ų57.85%0.04828%0.277CS..EExtended strand (participates in β ladder)trans-134.7161.717365.6-86.8000111.2R89 E90 L91 T112 L114 L120 Y123R89-F131 HydrophobicContact CB-CD1 4.4Å; R89-F131 HydrophobicContact CB-CE1 4.24Å; R89-F131 PolarHBondContact O-N 3.07Å; E90-F131 CarbonylContact C-O 3.6Å; E90-F131 WeakPolarHBondContact CA-O 3.38Å; E90-F131 HydrophobicContact CB-CE1 4.34Å; E90-F131 HydrophobicContact CB-CE2 3.91Å; E90-F131 HydrophobicContact CB-CZ 3.74Å; E90-F131 HydrophobicContact CG-CD2 4.48Å; E90-F131 HydrophobicContact CG-CE2 3.83Å; E90-F131 HydrophobicContact CG-CZ 4.17Å; L91-F131 PolarHBondContact N-O 3.22Å; T112-F131 CarbonylContact O-C 3.57Å; T112-F131 WeakPolarHBondContact O-CA 3.1Å; L114-F131 HydrophobicContact CB-CB 4.41Å; L114-F131 HydrophobicContact CB-CD2 3.99Å; L114-F131 HydrophobicContact CD1-CD2 4.49Å; L114-F131 HydrophobicContact CD2-CD2 3.98Å; L114-F131 HydrophobicContact CD2-CE2 4.03Å; L114-F131 HydrophobicContact CG-CD2 4.39Å; L120-F131 HydrophobicContact CD2-CD1 4.09Å; L120-F131 HydrophobicContact CD2-CD2 4.31Å; L120-F131 HydrophobicContact CD2-CE1 3.7Å; L120-F131 HydrophobicContact CD2-CE2 3.93Å; L120-F131 HydrophobicContact CD2-CG 4.38Å; L120-F131 HydrophobicContact CD2-CZ 3.61Å; Y123-F131 HydrophobicContact CD1-CB 4.19Å; Y123-F131 HydrophobicContact CD1-CD1 4.13Å; Y123-F131 HydrophobicContact CD2-CD1 4.3Å; Y123-F131 HydrophobicContact CE1-CB 3.62Å; Y123-F131 HydrophobicContact CE1-CD1 4.39Å; Y123-F131 HydrophobicContact CE1-CG 4.46Å; Y123-F131 HydrophobicContact CE2-CB 4.29Å; Y123-F131 HydrophobicContact CG-CD1 4.08Å
132Y91.8Very high89.8Confident9 Ų955.3 Ų55.34%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-136.8151.1167.671-74.3000109.3F45 L91 L93 V111 T112 L113 L114F45-Y132 AromaticContact CE1-CD1 3.94Å; F45-Y132 HydrophobicContact CE1-CD1 3.94Å; F45-Y132 HydrophobicContact CE1-CE1 4.33Å; F45-Y132 HydrophobicContact CE1-CG 4.18Å; L91-Y132 VanDerWaalsContact O-CA 3.32Å; L91-Y132 WeakPolarHBondContact O-CA 3.41Å; L91-Y132 WeakPolarHBondContact O-CB 3.43Å; L93-Y132 HydrophobicContact CB-CD2 3.59Å; L93-Y132 HydrophobicContact CB-CE2 3.82Å; L93-Y132 HydrophobicContact CB-CG 4.25Å; L93-Y132 HydrophobicContact CD2-CD2 4.26Å; L93-Y132 HydrophobicContact CD2-CE2 3.59Å; L93-Y132 HydrophobicContact CG-CE2 4.3Å; V111-Y132 HydrophobicContact CG1-CD1 3.86Å; V111-Y132 HydrophobicContact CG1-CE1 4.43Å; T112-Y132 VanDerWaalsContact O-CD1 3.32Å; T112-Y132 WeakPolarHBondContact O-CD1 3.49Å; T112-Y132 PolarHBondContact O-N 3.38Å; T112-Y132 VanDerWaalsContact O-N 3.08Å; L113-Y132 HydrophobicContact CB-CE1 3.99Å; L113-Y132 HydrophobicContact CD1-CD2 4.13Å; L113-Y132 HydrophobicContact CD1-CE2 3.75Å; L113-Y132 WeakPolarHBondContact CD1-O 3.46Å; L114-Y132 PolarHBondContact N-O 2.84Å
133S88.3Confident89.9Confident9 Ų953.7 Ų53.76%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-132.1-9.7173.553.90000112.4D146S133-D146 PolarHBondContact O-N 3.23Å
134L90.9Very high89.9Confident5 Ų558.8 Ų58.83%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-128.4142.1-173.1-65.6175000110.5A59 H62 F92 L93 L143 L144 A145A59-L134 HydrophobicContact CB-CD1 3.82Å; H62-L134 HydrophobicContact CB-CD1 4.47Å; F92-L134 HydrophobicContact CD1-CB 3.83Å; F92-L134 HydrophobicContact CD1-CD1 4.37Å; F92-L134 HydrophobicContact CE1-CB 4.14Å; F92-L134 HydrophobicContact CE1-CD1 3.83Å; L93-L134 PolarHBondContact N-O 3.18Å; L93-L134 VanDerWaalsContact N-O 3.15Å; L134-L143 HydrophobicContact CB-CD2 4.39Å; L134-L143 HydrophobicContact CD1-CD1 4.4Å; L134-L144 CarbonylContact C-O 3.3Å; L134-L144 WeakPolarHBondContact CA-O 3.23Å; L134-A145 HydrophobicContact CD2-CB 4.31Å
135V92.3Very high89.5Confident14 Ų1460 Ų609%0.08530%0.297CS..EExtended strand (participates in β ladder)trans-95.4126170.9-173.90000108.9L93 R95 L143 L144 D146L93-V135 CarbonylContact O-C 3.49Å; L93-V135 VanDerWaalsContact O-CA 3.3Å; L93-V135 WeakPolarHBondContact O-CA 3.5Å; L93-V135 WeakPolarHBondContact O-CG1 3.27Å; R95-V135 HydrophobicContact CG-CG1 4.27Å; V135-L143 WeakPolarHBondContact O-CA 3.49Å; V135-L144 PolarHBondContact N-O 3.15Å; V135-L144 PolarHBondContact O-N 3.08Å; V135-D146 HydrophobicContact CG2-CB 3.72Å
136Y94Very high88.5Confident16 Ų1656 Ų566%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-102.4122.2174.7174.3-121.9000111.3Y46 I51 L55 L93 S94 P138 T142 L143Y46-Y136 HydrophobicContact CD1-CD1 4.11Å; Y46-Y136 AromaticContact CD1-CE1 3.89Å; Y46-Y136 HydrophobicContact CD1-CE1 3.89Å; Y46-Y136 AromaticContact CD2-CD1 3.78Å; Y46-Y136 HydrophobicContact CD2-CD1 3.78Å; Y46-Y136 HydrophobicContact CD2-CE1 4.29Å; Y46-Y136 HydrophobicContact CE1-CE1 4.07Å; Y46-Y136 HydrophobicContact CE2-CD1 4.21Å; Y46-Y136 HydrophobicContact CE2-CE1 4.45Å; Y46-Y136 AromaticContact CG-CD1 3.73Å; Y46-Y136 HydrophobicContact CG-CD1 3.73Å; Y46-Y136 HydrophobicContact CG-CE1 4.01Å; I51-Y136 HydrophobicContact CB-CE2 4.48Å; I51-Y136 HydrophobicContact CG2-CD1 3.75Å; I51-Y136 HydrophobicContact CG2-CD2 3.98Å; I51-Y136 HydrophobicContact CG2-CE1 3.63Å; I51-Y136 HydrophobicContact CG2-CE2 3.88Å; I51-Y136 HydrophobicContact CG2-CG 3.92Å; L55-Y136 HydrophobicContact CD1-CD2 4.1Å; L55-Y136 HydrophobicContact CD1-CE2 3.57Å; L93-Y136 PolarHBondContact O-N 3.18Å; S94-Y136 WeakPolarHBondContact CA-O 3.5Å; S94-Y136 PolarHBondContact OG-O 2.99Å; Y136-P138 HydrophobicContact CD1-CB 4.36Å; Y136-P138 HydrophobicContact CE1-CB 3.74Å; Y136-P138 VanDerWaalsContact O-CD 3.24Å; Y136-P138 WeakPolarHBondContact O-CD 3.48Å; Y136-T142 WeakPolarHBondContact CD2-O 3.3Å; Y136-L143 HydrophobicContact CD2-CD2 3.98Å; Y136-L143 HydrophobicContact CG-CD2 4.3Å
137D90.6Very high87.4Confident47 Ų4753.2 Ų53.225%0.25127%0.268SS..EExtended strand (participates in β ladder)trans-90.6107.6167.6-172.6-32.5000109.5Q139 Q140 K141 T142D137-Q139 VanDerWaalsContact C-N 3.3Å; D137-Q139 PolarHBondContact O-N 3.07Å; D137-Q139 WeakPolarHBondContact OD1-CA 3.34Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.27Å; D137-Q139 PolarHBondContact OD1-N 3.18Å; D137-Q140 HydrophobicContact CB-CB 4.17Å; D137-Q140 PolarHBondContact OD1-N 3.08Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.39Å; D137-K141 WeakPolarHBondContact O-CA 3.46Å; D137-K141 PolarHBondContact O-N 3.47Å; D137-T142 WeakPolarHBondContact CB-OG1 3.34Å; D137-T142 PolarHBondContact N-O 3.5Å; D137-T142 PolarHBondContact O-N 3.41Å
138P88.9Confident86.2Confident27 Ų2749.7 Ų49.718%0.17528%0.275CS..THydrogen-bonded Turntrans-71-22179.926.9-33.7000113.9S94 Q96 Y136S94-P138 WeakPolarHBondContact OG-CD 3.27Å; S94-P138 WeakPolarHBondContact OG-CG 3.47Å; Q96-P138 HydrophobicContact CB-CG 4.16Å; Y136-P138 HydrophobicContact CD1-CB 4.36Å; Y136-P138 HydrophobicContact CE1-CB 3.74Å; Y136-P138 VanDerWaalsContact O-CD 3.24Å; Y136-P138 WeakPolarHBondContact O-CD 3.48Å
139Q88.3Confident84.9Confident168 Ų16855.7 Ų55.779%0.78530%0.302SS*.THydrogen-bonded Turntrans-79.9-48.5178.6-60.9-174.71.100110.6D137D137-Q139 VanDerWaalsContact C-N 3.3Å; D137-Q139 PolarHBondContact O-N 3.07Å; D137-Q139 WeakPolarHBondContact OD1-CA 3.34Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.27Å; D137-Q139 PolarHBondContact OD1-N 3.18Å
140Q88.1Confident84.2Confident140 Ų14062.9 Ų62.965%0.65434%0.338SS*.THydrogen-bonded Turntrans-83.6-17.6179.8-61-172.4-4.900113.1D137 T142D137-Q140 HydrophobicContact CB-CB 4.17Å; D137-Q140 PolarHBondContact OD1-N 3.08Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.39Å; Q140-T142 HydrophobicContact CB-CG2 4.02Å
141K90.4Very high83.4Confident136 Ų13670.2 Ų70.259%0.59137%0.366SS*.THydrogen-bonded Turntrans56.749.3-173.6-56.2179.9-179.81780111.7L55 D137L55-K141 HydrophobicContact CD1-CB 4.41Å; L55-K141 WeakPolarHBondContact CD1-O 3.2Å; L55-K141 WeakPolarHBondContact CD2-O 3.47Å; D137-K141 WeakPolarHBondContact O-CA 3.46Å; D137-K141 PolarHBondContact O-N 3.47Å
142T89.4Confident83.1Confident46 Ų4676.6 Ų76.628%0.28240%0.399SS..EExtended strand (participates in β ladder)trans-118.6153.6179.554.20000110.5Y136 D137 Q140Y136-T142 WeakPolarHBondContact CD2-O 3.3Å; D137-T142 WeakPolarHBondContact CB-OG1 3.34Å; D137-T142 PolarHBondContact N-O 3.5Å; D137-T142 PolarHBondContact O-N 3.41Å; Q140-T142 HydrophobicContact CB-CG2 4.02Å
143L89.3Confident82.7Confident17 Ų1777.4 Ų77.49%0.08941%0.41CS..EExtended strand (participates in β ladder)trans-116.3132.9170-73.1174.5000108.3I51 L55 L58 A59 F92 L134 V135 Y136I51-L143 HydrophobicContact CD1-CD1 4.35Å; L55-L143 HydrophobicContact CB-CD1 3.75Å; L55-L143 HydrophobicContact CB-CG 4.21Å; L55-L143 HydrophobicContact CD2-CD1 4.3Å; L55-L143 HydrophobicContact CD2-CG 4.12Å; L55-L143 WeakPolarHBondContact O-CD1 3.38Å; L58-L143 HydrophobicContact CD2-CB 4.22Å; A59-L143 HydrophobicContact CB-CD1 4.08Å; F92-L143 HydrophobicContact CD1-CD1 4.48Å; F92-L143 HydrophobicContact CD1-CD2 3.47Å; F92-L143 VanDerWaalsContact CD1-CD2 3.47Å; F92-L143 HydrophobicContact CE1-CD1 4.12Å; F92-L143 HydrophobicContact CE1-CD2 3.94Å; F92-L143 HydrophobicContact CG-CD2 4.26Å; L134-L143 HydrophobicContact CB-CD2 4.39Å; L134-L143 HydrophobicContact CD1-CD1 4.4Å; V135-L143 WeakPolarHBondContact O-CA 3.49Å; Y136-L143 HydrophobicContact CD2-CD2 3.98Å; Y136-L143 HydrophobicContact CG-CD2 4.3Å
144L85.6Confident82.5Confident112 Ų11284.9 Ų84.959%0.58645%0.449SS*.EExtended strand (participates in β ladder)trans-125.5141.1176.1-62.8173.4000108.7L134 V135 D146L134-L144 CarbonylContact C-O 3.3Å; L134-L144 WeakPolarHBondContact CA-O 3.23Å; V135-L144 PolarHBondContact N-O 3.15Å; V135-L144 PolarHBondContact O-N 3.08Å; L144-D146 PolarHBondContact O-N 2.94Å
145A78.2Confident82.3Confident48 Ų4893.9 Ų93.940%0.39749%0.488SS..EExtended strand (participates in β ladder)trans-65.1132.5167.200000109.1L134 K147L134-A145 HydrophobicContact CD2-CB 4.31Å; A145-K147 PolarHBondContact O-N 2.78Å; A145-K147 VanDerWaalsContact O-N 3.17Å
146D65.7Low82Confident46 Ų4698.4 Ų98.425%0.24651%0.507CS..SBendtrans-83.330.1172.8-150.624.1000111.2R95 S133 V135 L144R95-D146 IonicContact NH2-OD1 3.18Å; S133-D146 PolarHBondContact O-N 3.23Å; V135-D146 HydrophobicContact CG2-CB 3.72Å; L144-D146 PolarHBondContact O-N 2.94Å
147K65.4Low82Confident74 Ų74102 Ų10232%0.32252%0.524SS..  trans-119.1128.7-179.3-71.1-168.4175.4-169.20109.9E116 A145E116-K147 IonicContact OE1-NZ 3.68Å; E116-K147 PolarHBondContact OE1-NZ 2.75Å; A145-K147 PolarHBondContact O-N 2.78Å; A145-K147 VanDerWaalsContact O-N 3.17Å
148G61Low82.3Confident86 Ų86104 Ų10489%0.88755%0.547SS*.  trans-76.6130.8162.500000108.9
149E63.2Low82.7Confident158 Ų158110.3 Ų110.374%0.73858%0.58SS**  trans-113.5131-178.9-167.6-168.1160.100109.7
150I79.8Confident83.1Confident151 Ų151109 Ų10977%0.77458%0.577SS**  trans-72.5130.3170.4-173.6169.1000109.1
151R78.6Confident83.5Confident155 Ų155108.7 Ų108.759%0.58559%0.585SS**  trans-104.2137.1-177.2-61.8-170.8179.4172.80.1111.4F156R151-F156 HydrophobicContact CB-CB 4.4Å; R151-F156 HydrophobicContact CB-CD1 3.8Å; R151-F156 HydrophobicContact CB-CD2 3.67Å; R151-F156 HydrophobicContact CB-CE1 3.93Å; R151-F156 HydrophobicContact CB-CE2 3.78Å; R151-F156 HydrophobicContact CB-CG 3.67Å; R151-F156 HydrophobicContact CB-CZ 3.92Å; R151-F156 HydrophobicContact CG-CE1 4.3Å; R151-F156 HydrophobicContact CG-CZ 4.28Å
152I85.6Confident83.8Confident144 Ų144109.1 Ų109.174%0.73859%0.593SS**  trans-118.2133.1177.4-56.8175.6000109.8
153G83.1Confident84.2Confident27 Ų27114.9 Ų114.928%0.27862%0.621SS.*SBendtrans142.7157.3176.200000112.6K155 F156 Q157G153-K155 PolarHBondContact O-N 3.39Å; G153-F156 WeakPolarHBondContact O-CA 3.47Å; G153-F156 WeakPolarHBondContact O-CB 3.44Å; G153-F156 PolarHBondContact O-N 2.77Å; G153-Q157 VanDerWaalsContact CA-OE1 3.29Å; G153-Q157 PolarHBondContact O-N 3.15Å; G153-Q157 PolarHBondContact O-OE1 3.36Å
154N84.6Confident84.5Confident165 Ų165117.8 Ų117.888%0.88264%0.637SS**THydrogen-bonded Turntrans-52.2-13.6-173-55.22.3000116.5F156N154-F156 VanDerWaalsContact C-N 3.32Å
155K87.1Confident85Confident195 Ų195117.9 Ų117.985%0.84864%0.638SS**THydrogen-bonded Turntrans-83.4-9173.3-63.6-177.6179.11780113.5G153G153-K155 PolarHBondContact O-N 3.39Å
156F86.2Confident85.6Confident108 Ų108125.3 Ų125.347%0.47466%0.664SS.*THydrogen-bonded Turntrans-123.5-42.2-171.4-55-68.3000111.6R151 G153 N154R151-F156 HydrophobicContact CB-CB 4.4Å; R151-F156 HydrophobicContact CB-CD1 3.8Å; R151-F156 HydrophobicContact CB-CD2 3.67Å; R151-F156 HydrophobicContact CB-CE1 3.93Å; R151-F156 HydrophobicContact CB-CE2 3.78Å; R151-F156 HydrophobicContact CB-CG 3.67Å; R151-F156 HydrophobicContact CB-CZ 3.92Å; R151-F156 HydrophobicContact CG-CE1 4.3Å; R151-F156 HydrophobicContact CG-CZ 4.28Å; G153-F156 WeakPolarHBondContact O-CA 3.47Å; G153-F156 WeakPolarHBondContact O-CB 3.44Å; G153-F156 PolarHBondContact O-N 2.77Å; N154-F156 VanDerWaalsContact C-N 3.32Å
157Q94.1Very high86.8Confident92 Ų92131.1 Ų131.143%0.4370%0.695SS.*SBendtrans-70.7140.2172.7-79.375.219.600111G153G153-Q157 VanDerWaalsContact CA-OE1 3.29Å; G153-Q157 PolarHBondContact O-N 3.15Å; G153-Q157 PolarHBondContact O-OE1 3.36Å
158A96.8Very high88.2Confident88 Ų88132.3 Ų132.373%0.72770%0.702SS**PPolyproline II helixtrans-69146.716400000109.6
159D96.4Very high89.7Confident160 Ų160136.6 Ų136.686%0.85670%0.699SS**PPolyproline II helixtrans-71.2131.7164.5-165.623.3000108.5T161D159-T161 PolarHBondContact O-N 3.1Å
160I97.1Very high91.1Very high142 Ų142133 Ų13373%0.72869%0.685SS**PPolyproline II helixtrans-83.8116.7-172.4-63162.2000106.8D162I160-D162 PolarHBondContact O-N 2.75Å
161T97.1Very high91.8Very high133 Ų133129.1 Ų129.182%0.81668%0.682SS**PPolyproline II helixtrans-59.4122.7174.1-46.90000109.3D159D159-T161 PolarHBondContact O-N 3.1Å
162D96.4Very high92.6Very high144 Ų144129.3 Ų129.377%0.7768%0.683SS**PPolyproline II helixtrans-61148.7177.9-69.1-35.1000111.1I160 L164I160-D162 PolarHBondContact O-N 2.75Å; D162-L164 PolarHBondContact O-N 3.28Å
163L96.2Very high93.1Very high167 Ų167125.9 Ų125.987%0.87467%0.666SS**PPolyproline II helixtrans-67.6127.8173.6-167.694.5000109
164L96.7Very high93.7Very high79 Ų79129.1 Ų129.141%0.41468%0.676SS.*PPolyproline II helixtrans-63144.9173.3-62.9172.9000110.7D162 E168 D170D162-L164 PolarHBondContact O-N 3.28Å; L164-E168 HydrophobicContact CB-CB 4.42Å; L164-E168 HydrophobicContact CD2-CG 3.95Å; L164-D170 HydrophobicContact CD1-CB 3.69Å
165N94.9Very high94.2Very high114 Ų114125.4 Ų125.461%0.6167%0.669SS**PPolyproline II helixtrans-74162.2172.8-59.2-70.3000110.8D167 E168N165-D167 PolarHBondContact O-N 2.61Å; N165-D167 VanDerWaalsContact O-N 3.14Å; N165-E168 HydrophobicContact CB-CB 4.24Å; N165-E168 PolarHBondContact ND2-OE2 2.92Å; N165-E168 VanDerWaalsContact ND2-OE2 3.13Å; N165-E168 PolarHBondContact O-N 3.24Å
166E91.4Very high94.6Very high204 Ų204124.3 Ų124.395%0.95366%0.664SS**THydrogen-bonded Turntrans-58.3-30.9-176.3-65.5-173.8161.500113.8
167D92.2Very high95.1Very high167 Ų167124.5 Ų124.589%0.89367%0.67SS**THydrogen-bonded Turntrans-94.71.9-179.9-60.6-46.8000113.5N165N165-D167 PolarHBondContact O-N 2.61Å; N165-D167 VanDerWaalsContact O-N 3.14Å
168E94.3Very high95.2Very high100 Ų100126.7 Ų126.747%0.46768%0.68SS.*  trans-102.3123.2-175.3-166.7177.1-178.900110.8L164 N165L164-E168 HydrophobicContact CB-CB 4.42Å; L164-E168 HydrophobicContact CD2-CG 3.95Å; N165-E168 HydrophobicContact CB-CB 4.24Å; N165-E168 PolarHBondContact ND2-OE2 2.92Å; N165-E168 VanDerWaalsContact ND2-OE2 3.13Å; N165-E168 PolarHBondContact O-N 3.24Å
169E91.6Very high95.2Very high175 Ų175130.8 Ų130.882%0.81868%0.684SS**  trans-87.9149.4174.4-67.4-17417200111.1G171E169-G171 PolarHBondContact O-N 2.59Å; E169-G171 VanDerWaalsContact O-N 3.15Å
170D93.9Very high95.1Very high83 Ų83129.2 Ų129.244%0.44467%0.669SS.*  trans-70.4-8.2179.671.7-4000113.9L164 R172L164-D170 HydrophobicContact CD1-CB 3.69Å; D170-R172 HydrophobicContact CB-CG 4.44Å; D170-R172 PolarHBondContact O-N 3.22Å; D170-R172 PolarHBondContact OD1-N 3.1Å; D170-R172 VanDerWaalsContact OD1-N 3.15Å; D170-R172 IonicContact OD2-CZ 3.24Å; D170-R172 VanDerWaalsContact OD2-CZ 3.24Å; D170-R172 IonicContact OD2-NE 2.72Å; D170-R172 PolarHBondContact OD2-NE 3.01Å; D170-R172 IonicContact OD2-NH2 2.87Å; D170-R172 PolarHBondContact OD2-NH2 3.47Å
171G93.6Very high95.1Very high70 Ų70127.8 Ų127.872%0.72266%0.662SS**  trans64.617.9176.900000114.5E169E169-G171 PolarHBondContact O-N 2.59Å; E169-G171 VanDerWaalsContact O-N 3.15Å
172R95.9Very high95Very high158 Ų158124.7 Ų124.760%0.59664%0.635SS**  trans-86.7125.2-175.9-68.2-166.8-65162.90.9112.3D170 L174 L177D170-R172 HydrophobicContact CB-CG 4.44Å; D170-R172 PolarHBondContact O-N 3.22Å; D170-R172 PolarHBondContact OD1-N 3.1Å; D170-R172 VanDerWaalsContact OD1-N 3.15Å; D170-R172 IonicContact OD2-CZ 3.24Å; D170-R172 VanDerWaalsContact OD2-CZ 3.24Å; D170-R172 IonicContact OD2-NE 2.72Å; D170-R172 PolarHBondContact OD2-NE 3.01Å; D170-R172 IonicContact OD2-NH2 2.87Å; D170-R172 PolarHBondContact OD2-NH2 3.47Å; R172-L174 PolarHBondContact O-N 3.46Å; R172-L177 HydrophobicContact CB-CD1 4.23Å
173D95.9Very high95Very high73 Ų73119.6 Ų119.639%0.3961%0.608SS.*  trans-86.296.9171.8-178-1.6000110.3A175 K176D173-A175 PolarHBondContact O-N 3.04Å; D173-A175 PolarHBondContact OD1-N 3.19Å; D173-K176 HydrophobicContact CB-CD 4.39Å; D173-K176 HydrophobicContact CB-CG 4.46Å; D173-K176 PolarHBondContact O-N 3.43Å; D173-K176 VanDerWaalsContact O-N 3.13Å; D173-K176 WeakPolarHBondContact OD2-CD 3.45Å; D173-K176 WeakPolarHBondContact OD2-CE 3.37Å; D173-K176 WeakPolarHBondContact OD2-CG 3.15Å; D173-K176 IonicContact OD2-NZ 2.7Å; D173-K176 PolarHBondContact OD2-NZ 2.92Å
174L95.3Very high94.8Very high94 Ų94116.8 Ų116.849%0.49260%0.6SS.*G310 helixtrans-60.8-32.1-176.1-63.8180000113R172 K176 L177 E178R172-L174 PolarHBondContact O-N 3.46Å; L174-K176 PolarHBondContact O-N 3.03Å; L174-L177 HydrophobicContact CD2-CD1 4.45Å; L174-L177 PolarHBondContact O-N 3.2Å; L174-E178 WeakPolarHBondContact O-CG 3.38Å; L174-E178 PolarHBondContact O-N 2.96Å
175A94.5Very high94.6Very high88 Ų88120.1 Ų120.173%0.72762%0.618SS**G310 helixtrans-66.8-19.2-179.900000113.2D173D173-A175 PolarHBondContact O-N 3.04Å; D173-A175 PolarHBondContact OD1-N 3.19Å
176K96.2Very high94.4Very high171 Ų171115.9 Ų115.974%0.74360%0.598SS**G310 helixtrans-89.1-14.6172.1-69.4-175.6-178.31130113.5D173 L174D173-K176 HydrophobicContact CB-CD 4.39Å; D173-K176 HydrophobicContact CB-CG 4.46Å; D173-K176 PolarHBondContact O-N 3.43Å; D173-K176 VanDerWaalsContact O-N 3.13Å; D173-K176 WeakPolarHBondContact OD2-CD 3.45Å; D173-K176 WeakPolarHBondContact OD2-CE 3.37Å; D173-K176 WeakPolarHBondContact OD2-CG 3.15Å; D173-K176 IonicContact OD2-NZ 2.7Å; D173-K176 PolarHBondContact OD2-NZ 2.92Å; L174-K176 PolarHBondContact O-N 3.03Å
177L96.9Very high94.4Very high113 Ų113111.1 Ų111.159%0.59259%0.587SS**THydrogen-bonded Turntrans-101.9-32.8-174.4-64.4174.6000112R172 L174R172-L177 HydrophobicContact CB-CD1 4.23Å; L174-L177 HydrophobicContact CD2-CD1 4.45Å; L174-L177 PolarHBondContact O-N 3.2Å
178E96.8Very high94.6Very high138 Ų138104.2 Ų104.265%0.64555%0.55SS*.  trans-147.1150.9-175.558.9-178.2-143.900112.8L174L174-E178 WeakPolarHBondContact O-CG 3.38Å; L174-E178 PolarHBondContact O-N 2.96Å
179E95.4Very high94.6Very high174 Ų174103.1 Ų103.181%0.81355%0.55SS**  trans-124.3128.3169.3-178.3175.7-170.600107.8I181E179-I181 PolarHBondContact O-N 3.46Å
180K95.1Very high94.8Very high126 Ų126102.6 Ų102.655%0.54855%0.547SS..  trans-72.7123.7176.8-175.3-174.4-76.6-1760108.4W182 D183 H242K180-W182 WeakPolarHBondContact CG-O 3.5Å; K180-D183 HydrophobicContact CD-CB 4.23Å; K180-D183 IonicContact NZ-OD2 2.7Å; K180-D183 PolarHBondContact NZ-OD2 3.47Å; K180-H242 PolarHBondContact O-NE2 2.71Å
181I96Very high95Very high112 Ų112105.6 Ų105.657%0.57456%0.556SS**  trans-106.2-15.417761.8171.7000113.1E179 H242E179-I181 PolarHBondContact O-N 3.46Å; I181-H242 VanDerWaalsContact O-CB 3.27Å; I181-H242 WeakPolarHBondContact O-CB 3.5Å; I181-H242 PolarHBondContact O-CD2 2.78Å
182W96.6Very high95.1Very high68 Ų68105.8 Ų105.826%0.25854%0.539SS..  trans-156.6142.6177.3-176.5-95.3000110.7K180 I193 M238 L241 Y246K180-W182 WeakPolarHBondContact CG-O 3.5Å; W182-I193 HydrophobicContact CH2-CD1 4.08Å; W182-I193 HydrophobicContact CH2-CG1 4.38Å; W182-I193 HydrophobicContact CH2-CG2 4.38Å; W182-I193 HydrophobicContact CZ2-CD1 3.91Å; W182-M238 HydrophobicContact CD2-CE 3.92Å; W182-M238 HydrophobicContact CE3-CB 4.09Å; W182-M238 HydrophobicContact CE3-CE 3.74Å; W182-M238 HydrophobicContact CE3-SD 4.49Å; W182-M238 HydrophobicContact CH2-CE 3.24Å; W182-M238 HydrophobicContact CH2-SD 3.85Å; W182-M238 HydrophobicContact CZ2-CE 3.45Å; W182-M238 VanDerWaalsContact CZ2-CE 3.45Å; W182-M238 HydrophobicContact CZ3-CB 4.04Å; W182-M238 HydrophobicContact CZ3-CE 3.38Å; W182-M238 WeakPolarHBondContact CZ3-O 3.46Å; W182-M238 HydrophobicContact CZ3-SD 3.78Å; W182-L241 HydrophobicContact CH2-CD1 4.09Å; W182-L241 HydrophobicContact CZ3-CB 4.01Å; W182-L241 HydrophobicContact CZ3-CD1 4.13Å; W182-Y246 HydrophobicContact CD2-CE1 4.36Å; W182-Y246 AromaticContact CE3-CE1 3.97Å; W182-Y246 HydrophobicContact CE3-CE1 3.97Å; W182-Y246 HydrophobicContact CH2-CD1 4.5Å; W182-Y246 AromaticContact CH2-CE1 3.87Å; W182-Y246 HydrophobicContact CH2-CE1 3.87Å; W182-Y246 HydrophobicContact CZ2-CE1 4.24Å; W182-Y246 AromaticContact CZ3-CE1 3.73Å; W182-Y246 HydrophobicContact CZ3-CE1 3.73Å
183D95.3Very high95.2Very high38 Ų3899.3 Ų99.320%0.20352%0.516CS..  trans-112.5110.8176.6-159-43.6000109.6K180 N185 S186 Y246K180-D183 HydrophobicContact CD-CB 4.23Å; K180-D183 IonicContact NZ-OD2 2.7Å; K180-D183 PolarHBondContact NZ-OD2 3.47Å; D183-N185 PolarHBondContact O-N 3.08Å; D183-N185 PolarHBondContact OD1-N 2.94Å; D183-S186 PolarHBondContact O-N 3.12Å; D183-Y246 HydrophobicContact CB-CE2 3.84Å; D183-Y246 WeakPolarHBondContact CB-OH 3.41Å; D183-Y246 PolarHBondContact N-OH 3.12Å
184P93.2Very high95.3Very high107 Ų107100.7 Ų100.770%0.69552%0.523SS*.THydrogen-bonded Turntrans-61-23.2177.2-23.534.1000113.9S186P184-S186 VanDerWaalsContact C-N 3.28Å; P184-S186 PolarHBondContact O-N 3.18Å
185N91.9Very high95.4Very high150 Ų150101.4 Ų101.480%0.80252%0.524SS*.THydrogen-bonded Turntrans-95.827.9-178.5-59.9-50.1000112.1D183D183-N185 PolarHBondContact O-N 3.08Å; D183-N185 PolarHBondContact OD1-N 2.94Å
186S89.9Confident95.6Very high25 Ų2597.3 Ų97.318%0.17549%0.49CS..  trans-59.8156.7178.679.60000112.5D183 P184 L188 Y246D183-S186 PolarHBondContact O-N 3.12Å; P184-S186 VanDerWaalsContact C-N 3.28Å; P184-S186 PolarHBondContact O-N 3.18Å; S186-L188 PolarHBondContact O-N 3.4Å; S186-L188 PolarHBondContact OG-N 3.16Å; S186-Y246 VanDerWaalsContact CB-CD1 3.47Å
187S92.3Very high95.7Very high103 Ų10390.5 Ų90.572%0.7246%0.461SS*.SBendtrans-71.8-4.817753.70000114.4
188L95.5Very high95.7Very high22 Ų2288.5 Ų88.512%0.11545%0.454CS..SBendtrans-89.8140.1-177.4-64176000111S186 Q192 I193 L241 Y246 M248S186-L188 PolarHBondContact O-N 3.4Å; S186-L188 PolarHBondContact OG-N 3.16Å; L188-Q192 HydrophobicContact CD2-CB 4.39Å; L188-I193 HydrophobicContact CB-CD1 4.29Å; L188-I193 HydrophobicContact CB-CG1 3.96Å; L188-I193 HydrophobicContact CD1-CG1 4.35Å; L188-L241 HydrophobicContact CD1-CD1 4.38Å; L188-L241 HydrophobicContact CD1-CD2 3.9Å; L188-Y246 HydrophobicContact CD1-CD1 4.1Å; L188-Y246 WeakPolarHBondContact CD2-O 3.39Å; L188-M248 HydrophobicContact CD1-CE 4.08Å; L188-M248 HydrophobicContact CD2-CE 4.1Å
189T95.8Very high95.8Very high78 Ų7884.4 Ų84.448%0.47944%0.438SS..  trans-75.3152.9168.661.90000110.6K191 Q192 I193T189-K191 PolarHBondContact O-N 3.09Å; T189-K191 VanDerWaalsContact O-N 3.15Å; T189-Q192 WeakPolarHBondContact O-CB 3.46Å; T189-Q192 PolarHBondContact O-N 3.26Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.2Å; T189-Q192 PolarHBondContact OG1-N 3.44Å; T189-Q192 PolarHBondContact OG1-OE1 2.94Å; T189-I193 PolarHBondContact O-N 3.38Å; T189-I193 VanDerWaalsContact O-N 3.1Å
190E95.1Very high95.9Very high163 Ų16376.3 Ų76.376%0.76240%0.401SS*.Hα-helixtrans-51-40.6174.6-66.1179.6171.400112.1Q192 I193 D194E190-Q192 VanDerWaalsContact C-N 3.33Å; E190-Q192 PolarHBondContact O-N 3.33Å; E190-I193 PolarHBondContact O-N 2.99Å; E190-D194 PolarHBondContact O-N 3.44Å
191K97.1Very high96.1Very high146 Ų14674.5 Ų74.564%0.63539%0.39SS*.Hα-helixtrans-62.2-37.6177.5-172.2178.6179.5-178.90112.9T189 Q195T189-K191 PolarHBondContact O-N 3.09Å; T189-K191 VanDerWaalsContact O-N 3.15Å; K191-Q195 WeakPolarHBondContact O-CB 3.37Å; K191-Q195 WeakPolarHBondContact O-CG 3.27Å; K191-Q195 PolarHBondContact O-N 2.88Å
192Q97.3Very high96.1Very high74 Ų7472.5 Ų72.535%0.34639%0.386SS..Hα-helixtrans-70.1-38.2176.6-75.5167.2-56.700111.3L188 T189 E190 Q195 F196 M248L188-Q192 HydrophobicContact CD2-CB 4.39Å; T189-Q192 WeakPolarHBondContact O-CB 3.46Å; T189-Q192 PolarHBondContact O-N 3.26Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.2Å; T189-Q192 PolarHBondContact OG1-N 3.44Å; T189-Q192 PolarHBondContact OG1-OE1 2.94Å; E190-Q192 VanDerWaalsContact C-N 3.33Å; E190-Q192 PolarHBondContact O-N 3.33Å; Q192-Q195 PolarHBondContact O-N 2.72Å; Q192-F196 PolarHBondContact O-N 3Å; Q192-M248 HydrophobicContact CB-CE 3.97Å; Q192-M248 WeakPolarHBondContact O-CE 3.36Å
193I97.3Very high96.2Very high22 Ų2270.3 Ų70.311%0.11338%0.381CS..Hα-helixtrans-63.3-49.4175.3-62165.3000109.6W182 L188 T189 E190 Q195 F196 L197 M238 L241W182-I193 HydrophobicContact CH2-CD1 4.08Å; W182-I193 HydrophobicContact CH2-CG1 4.38Å; W182-I193 HydrophobicContact CH2-CG2 4.38Å; W182-I193 HydrophobicContact CZ2-CD1 3.91Å; L188-I193 HydrophobicContact CB-CD1 4.29Å; L188-I193 HydrophobicContact CB-CG1 3.96Å; L188-I193 HydrophobicContact CD1-CG1 4.35Å; T189-I193 PolarHBondContact O-N 3.38Å; T189-I193 VanDerWaalsContact O-N 3.1Å; E190-I193 PolarHBondContact O-N 2.99Å; I193-Q195 VanDerWaalsContact C-N 3.3Å; I193-Q195 PolarHBondContact O-N 3.29Å; I193-F196 WeakPolarHBondContact O-CB 3.41Å; I193-F196 PolarHBondContact O-N 2.93Å; I193-L197 HydrophobicContact CG2-CD1 4.41Å; I193-L197 WeakPolarHBondContact O-CG 3.36Å; I193-L197 PolarHBondContact O-N 3.12Å; I193-M238 HydrophobicContact CG2-CE 4.24Å; I193-M238 HydrophobicContact CG2-SD 3.85Å; I193-L241 HydrophobicContact CG2-CD1 4.35Å
194D97.5Very high96.2Very high103 Ų10368.7 Ų68.755%0.55137%0.373SS*.Hα-helixtrans-57.2-43.3176.4-79.6-16.7000112.4E190 F196 L197 V198E190-D194 PolarHBondContact O-N 3.44Å; D194-F196 VanDerWaalsContact C-N 3.34Å; D194-L197 PolarHBondContact O-N 2.79Å; D194-V198 WeakPolarHBondContact O-CG2 3.37Å; D194-V198 PolarHBondContact O-N 3.37Å
195Q97.8Very high96.3Very high109 Ų10964.8 Ų64.851%0.50935%0.347SS..Hα-helixtrans-61.8-42.5175.5-76.9173.8-1200111.7K191 Q192 I193 V198 V199K191-Q195 WeakPolarHBondContact O-CB 3.37Å; K191-Q195 WeakPolarHBondContact O-CG 3.27Å; K191-Q195 PolarHBondContact O-N 2.88Å; Q192-Q195 PolarHBondContact O-N 2.72Å; I193-Q195 VanDerWaalsContact C-N 3.3Å; I193-Q195 PolarHBondContact O-N 3.29Å; Q195-V198 WeakPolarHBondContact O-CB 3.37Å; Q195-V198 PolarHBondContact O-N 3.45Å; Q195-V199 WeakPolarHBondContact O-CG2 3.34Å; Q195-V199 PolarHBondContact O-N 3.03Å
196F98.3Very high96.4Very high2 Ų263.6 Ų63.61%0.00934%0.335CS..Hα-helixtrans-62.9-42.3175.6-173.2-104.3000112.2Q192 I193 D194 V198 V199 A200 A237 T240 L241 M248 A251 I252 L255Q192-F196 PolarHBondContact O-N 3Å; I193-F196 WeakPolarHBondContact O-CB 3.41Å; I193-F196 PolarHBondContact O-N 2.93Å; D194-F196 VanDerWaalsContact C-N 3.34Å; F196-V198 VanDerWaalsContact C-N 3.26Å; F196-V198 PolarHBondContact O-N 3.2Å; F196-V199 CarbonylContact O-C 3.57Å; F196-V199 WeakPolarHBondContact O-CA 3.45Å; F196-V199 WeakPolarHBondContact O-CB 3.34Å; F196-V199 PolarHBondContact O-N 2.98Å; F196-A200 PolarHBondContact O-N 3.01Å; F196-A237 HydrophobicContact CD1-CB 4.25Å; F196-A237 HydrophobicContact CE1-CB 3.9Å; F196-A237 VanDerWaalsContact CE1-O 3.31Å; F196-A237 WeakPolarHBondContact CE1-O 3.48Å; F196-T240 HydrophobicContact CZ-CG2 4.2Å; F196-L241 HydrophobicContact CB-CD1 4.39Å; F196-L241 HydrophobicContact CB-CD2 4.45Å; F196-L241 HydrophobicContact CD1-CD1 3.59Å; F196-L241 HydrophobicContact CD1-CD2 3.71Å; F196-L241 HydrophobicContact CD1-CG 3.49Å; F196-L241 VanDerWaalsContact CD1-CG 3.49Å; F196-L241 HydrophobicContact CD2-CD2 4.12Å; F196-L241 HydrophobicContact CE1-CD1 4.16Å; F196-L241 HydrophobicContact CE1-CD2 3.88Å; F196-L241 HydrophobicContact CE1-CG 3.58Å; F196-L241 HydrophobicContact CE2-CD2 4.24Å; F196-L241 HydrophobicContact CG-CD1 4.17Å; F196-L241 HydrophobicContact CG-CD2 3.81Å; F196-L241 HydrophobicContact CG-CG 4.11Å; F196-L241 HydrophobicContact CZ-CD2 4.12Å; F196-L241 HydrophobicContact CZ-CG 4.24Å; F196-M248 HydrophobicContact CB-CE 3.85Å; F196-M248 HydrophobicContact CB-SD 3.62Å; F196-M248 HydrophobicContact CD2-CE 4.47Å; F196-M248 HydrophobicContact CD2-SD 3.25Å; F196-M248 WeakPolarHBondContact CD2-SD 3.46Å; F196-M248 HydrophobicContact CE2-SD 4.17Å; F196-M248 HydrophobicContact CG-CE 4.41Å; F196-M248 HydrophobicContact CG-SD 3.73Å; F196-A251 HydrophobicContact CE2-CB 3.67Å; F196-A251 HydrophobicContact CZ-CB 3.65Å; F196-I252 HydrophobicContact CD2-CG1 3.92Å; F196-I252 HydrophobicContact CE2-CG1 3.71Å; F196-L255 HydrophobicContact CE1-CD1 4.23Å; F196-L255 HydrophobicContact CE2-CD1 3.74Å; F196-L255 HydrophobicContact CZ-CD1 3.5Å; F196-L255 VanDerWaalsContact CZ-CD1 3.5Å; F196-L255 HydrophobicContact CZ-CG 4.02Å
197L98.3Very high96.5Very high27 Ų2762.7 Ų62.714%0.14133%0.329CS..Hα-helixtrans-62.4-32.9175.6-64.8-179.3000112.2I193 D194 R201 L234 A237 M238I193-L197 HydrophobicContact CG2-CD1 4.41Å; I193-L197 WeakPolarHBondContact O-CG 3.36Å; I193-L197 PolarHBondContact O-N 3.12Å; D194-L197 PolarHBondContact O-N 2.79Å; L197-R201 VanDerWaalsContact O-CG 3.27Å; L197-R201 WeakPolarHBondContact O-CG 3.5Å; L197-R201 PolarHBondContact O-N 3.22Å; L197-R201 VanDerWaalsContact O-N 3.15Å; L197-R201 PolarHBondContact O-NE 3.38Å; L197-L234 HydrophobicContact CB-CD2 4.32Å; L197-L234 HydrophobicContact CD2-CD2 4.21Å; L197-A237 HydrophobicContact CD2-CB 3.7Å; L197-M238 HydrophobicContact CD1-SD 4.38Å; L197-M238 HydrophobicContact CD2-CG 4.25Å; L197-M238 HydrophobicContact CD2-SD 3.95Å; L197-M238 HydrophobicContact CG-SD 4.48Å
198V98.2Very high96.6Very high72 Ų7257.8 Ų57.844%0.43630%0.295SS..Hα-helixtrans-67.4-42.4171.1173.60000111.4D194 Q195 F196 R201 S202D194-V198 WeakPolarHBondContact O-CG2 3.37Å; D194-V198 PolarHBondContact O-N 3.37Å; Q195-V198 WeakPolarHBondContact O-CB 3.37Å; Q195-V198 PolarHBondContact O-N 3.45Å; F196-V198 VanDerWaalsContact C-N 3.26Å; F196-V198 PolarHBondContact O-N 3.2Å; V198-R201 PolarHBondContact O-N 3.03Å; V198-S202 WeakPolarHBondContact O-CB 3.42Å; V198-S202 PolarHBondContact O-N 3.32Å; V198-S202 PolarHBondContact O-OG 3.03Å
199V97.9Very high96.3Very high52 Ų5260 Ų6032%0.31532%0.316SS..Hα-helixtrans-61.8-48.8176173.20000110.6Q195 F196 R201 S202 V203 I252Q195-V199 WeakPolarHBondContact O-CG2 3.34Å; Q195-V199 PolarHBondContact O-N 3.03Å; F196-V199 CarbonylContact O-C 3.57Å; F196-V199 WeakPolarHBondContact O-CA 3.45Å; F196-V199 WeakPolarHBondContact O-CB 3.34Å; F196-V199 PolarHBondContact O-N 2.98Å; V199-R201 VanDerWaalsContact C-N 3.35Å; V199-R201 PolarHBondContact O-N 3.48Å; V199-S202 WeakPolarHBondContact O-CA 3.43Å; V199-S202 WeakPolarHBondContact O-CB 3.48Å; V199-S202 PolarHBondContact O-N 3.15Å; V199-V203 HydrophobicContact CG1-CG2 4.34Å; V199-V203 WeakPolarHBondContact O-CG2 3.23Å; V199-V203 PolarHBondContact O-N 2.79Å; V199-I252 HydrophobicContact CG1-CG1 4.44Å
200A98.1Very high95.9Very high4 Ų461.2 Ų61.23%0.03332%0.319CS..Hα-helixtrans-58.1-43.5178.900000112.7F196 S202 V203 G204 A237 L255F196-A200 PolarHBondContact O-N 3.01Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 2.88Å; A200-V203 PolarHBondContact O-N 3.27Å; A200-G204 PolarHBondContact O-N 2.95Å; A200-A237 HydrophobicContact CB-CB 3.57Å; A200-L255 HydrophobicContact CB-CD1 3.88Å
201R97.9Very high95.4Very high87 Ų8755.8 Ų55.833%0.32830%0.295SS..Hα-helixtrans-63.8-37.2174.2-71.7-173.7-73.1162.3-7.4112.9L197 V198 V199 G204 T205 A228 S229 L234L197-R201 VanDerWaalsContact O-CG 3.27Å; L197-R201 WeakPolarHBondContact O-CG 3.5Å; L197-R201 PolarHBondContact O-N 3.22Å; L197-R201 VanDerWaalsContact O-N 3.15Å; L197-R201 PolarHBondContact O-NE 3.38Å; V198-R201 PolarHBondContact O-N 3.03Å; V199-R201 VanDerWaalsContact C-N 3.35Å; V199-R201 PolarHBondContact O-N 3.48Å; R201-G204 PolarHBondContact O-N 3.4Å; R201-T205 WeakPolarHBondContact O-CB 3.45Å; R201-T205 PolarHBondContact O-N 3.45Å; R201-T205 PolarHBondContact O-OG1 3.43Å; R201-A228 WeakPolarHBondContact CG-O 3.43Å; R201-A228 WeakPolarHBondContact O-CB 3.2Å; R201-S229 WeakPolarHBondContact CD-OG 3.31Å; R201-L234 HydrophobicContact CG-CD2 4.03Å
202S97.6Very high94.3Very high70 Ų7053.7 Ų53.749%0.4930%0.298SS..Hα-helixtrans-66.6-44.1177.2-56.10000111.1V198 V199 A200 T205 F206V198-S202 WeakPolarHBondContact O-CB 3.42Å; V198-S202 PolarHBondContact O-N 3.32Å; V198-S202 PolarHBondContact O-OG 3.03Å; V199-S202 WeakPolarHBondContact O-CA 3.43Å; V199-S202 WeakPolarHBondContact O-CB 3.48Å; V199-S202 PolarHBondContact O-N 3.15Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 2.88Å; S202-T205 PolarHBondContact O-N 3.29Å; S202-F206 PolarHBondContact O-N 3.15Å
203V97.1Very high93.3Very high23 Ų2352.5 Ų52.514%0.13930%0.297CS..Hα-helixtrans-60-47.5173.2173.80000110.6V199 A200 T205 F206 A207 L255 V256 P261V199-V203 HydrophobicContact CG1-CG2 4.34Å; V199-V203 WeakPolarHBondContact O-CG2 3.23Å; V199-V203 PolarHBondContact O-N 2.79Å; A200-V203 PolarHBondContact O-N 3.27Å; V203-T205 VanDerWaalsContact C-N 3.29Å; V203-T205 PolarHBondContact O-N 3.39Å; V203-F206 PolarHBondContact O-N 3.15Å; V203-A207 WeakPolarHBondContact O-CB 3.37Å; V203-A207 PolarHBondContact O-N 3.22Å; V203-L255 HydrophobicContact CG1-CB 4.37Å; V203-V256 HydrophobicContact CG1-CG2 4.06Å; V203-V256 HydrophobicContact CG2-CG2 4.11Å; V203-P261 HydrophobicContact CG1-CB 3.55Å
204G95.7Very high92.1Very high3 Ų351.6 Ų51.63%0.03129%0.293CS..Hα-helixtrans-63.7-31.317800000113.9A200 R201 R208A200-G204 PolarHBondContact O-N 2.95Å; R201-G204 PolarHBondContact O-N 3.4Å; G204-R208 WeakPolarHBondContact O-CG 3.45Å; G204-R208 PolarHBondContact O-N 3.26Å; G204-R208 PolarHBondContact O-NH1 3.23Å
205T95.1Very high90.6Very high26 Ų2649 Ų4916%0.1628%0.283CS..Hα-helixtrans-70-44.2173.7-55.50000110.5R201 S202 V203 R208 A209 L221 A225 A228R201-T205 WeakPolarHBondContact O-CB 3.45Å; R201-T205 PolarHBondContact O-N 3.45Å; R201-T205 PolarHBondContact O-OG1 3.43Å; S202-T205 PolarHBondContact O-N 3.29Å; V203-T205 VanDerWaalsContact C-N 3.29Å; V203-T205 PolarHBondContact O-N 3.39Å; T205-R208 PolarHBondContact O-N 3.07Å; T205-A209 PolarHBondContact O-N 3.09Å; T205-L221 HydrophobicContact CG2-CD1 4.22Å; T205-A225 HydrophobicContact CG2-CB 4.27Å; T205-A228 WeakPolarHBondContact OG1-CB 3.14Å
206F93.9Very high88.8Confident124 Ų12449.5 Ų49.554%0.54429%0.293SS..Hα-helixtrans-65.4-41.1177.2-177.3-115.6000112.1S202 V203 R208 A209 L210 P261S202-F206 PolarHBondContact O-N 3.15Å; V203-F206 PolarHBondContact O-N 3.15Å; F206-R208 VanDerWaalsContact C-N 3.33Å; F206-R208 PolarHBondContact O-N 2.95Å; F206-A209 WeakPolarHBondContact O-CB 3.48Å; F206-A209 PolarHBondContact O-N 2.9Å; F206-A209 VanDerWaalsContact O-N 3.09Å; F206-L210 HydrophobicContact CD1-CD1 4.08Å; F206-L210 HydrophobicContact CE1-CD1 3.54Å; F206-L210 HydrophobicContact CE1-CG 4.27Å; F206-L210 HydrophobicContact CE2-CD1 4.48Å; F206-L210 HydrophobicContact CE2-CD2 4.34Å; F206-L210 HydrophobicContact CE2-CG 4.39Å; F206-L210 HydrophobicContact CZ-CD1 3.77Å; F206-L210 HydrophobicContact CZ-CD2 4.15Å; F206-L210 HydrophobicContact CZ-CG 4.14Å; F206-L210 PolarHBondContact O-N 3.05Å; F206-L210 VanDerWaalsContact O-N 3.16Å; F206-P261 HydrophobicContact CD1-CG 3.99Å; F206-P261 HydrophobicContact CE1-CG 4.42Å
207A93.9Very high87.4Confident6 Ų653.8 Ų53.85%0.0531%0.31CS..Hα-helixtrans-56.6-44.8175.800000112.4V203 A209 L210 D211 P261 L263V203-A207 WeakPolarHBondContact O-CB 3.37Å; V203-A207 PolarHBondContact O-N 3.22Å; A207-A209 VanDerWaalsContact C-N 3.29Å; A207-A209 PolarHBondContact O-N 3.15Å; A207-L210 PolarHBondContact O-N 3.26Å; A207-D211 PolarHBondContact O-N 3.25Å; A207-P261 HydrophobicContact CB-CB 3.96Å; A207-P261 HydrophobicContact CB-CG 3.73Å; A207-L263 HydrophobicContact CB-CB 4.24Å; A207-L263 HydrophobicContact CB-CD1 3.68Å
208R92.4Very high86.2Confident1 Ų154.6 Ų54.60%0.00431%0.312CS..Hα-helixtrans-65-31176.5-72.3170.9175.277.6-2.1113.3G204 T205 F206 L210 D211 L263 C264 E269G204-R208 WeakPolarHBondContact O-CG 3.45Å; G204-R208 PolarHBondContact O-N 3.26Å; G204-R208 PolarHBondContact O-NH1 3.23Å; T205-R208 PolarHBondContact O-N 3.07Å; F206-R208 VanDerWaalsContact C-N 3.33Å; F206-R208 PolarHBondContact O-N 2.95Å; R208-L210 VanDerWaalsContact C-N 3.32Å; R208-D211 PolarHBondContact O-N 3.47Å; R208-L263 HydrophobicContact CB-CD1 4.29Å; R208-L263 HydrophobicContact CG-CD1 3.48Å; R208-L263 VanDerWaalsContact CG-CD1 3.48Å; R208-C264 PolarHBondContact NH2-O 3.42Å; R208-E269 WeakPolarHBondContact CD-OE1 3.23Å; R208-E269 IonicContact CZ-OE1 3.05Å; R208-E269 IonicContact CZ-OE2 3.44Å; R208-E269 IonicContact NE-OE1 2.78Å; R208-E269 PolarHBondContact NE-OE1 3.39Å; R208-E269 IonicContact NE-OE2 2.64Å; R208-E269 PolarHBondContact NE-OE2 3.45Å; R208-E269 IonicContact NH2-OE1 2.65Å; R208-E269 IonicContact NH2-OE2 3.28Å; R208-E269 PolarHBondContact NH2-OE2 3.03Å
209A89.8Confident84.8Confident67 Ų6756.2 Ų56.255%0.55433%0.325SS*.Hα-helixtrans-71-29.9175.900000112.3T205 F206 A207T205-A209 PolarHBondContact O-N 3.09Å; F206-A209 WeakPolarHBondContact O-CB 3.48Å; F206-A209 PolarHBondContact O-N 2.9Å; F206-A209 VanDerWaalsContact O-N 3.09Å; A207-A209 VanDerWaalsContact C-N 3.29Å; A207-A209 PolarHBondContact O-N 3.15Å
210L88.6Confident84.2Confident105 Ų10555.2 Ų55.255%0.5532%0.32SS..Hα-helixtrans-82.7-23.3175.2-62.2-179.3000112.9F206 A207 R208 P261F206-L210 HydrophobicContact CD1-CD1 4.08Å; F206-L210 HydrophobicContact CE1-CD1 3.54Å; F206-L210 HydrophobicContact CE1-CG 4.27Å; F206-L210 HydrophobicContact CE2-CD1 4.48Å; F206-L210 HydrophobicContact CE2-CD2 4.34Å; F206-L210 HydrophobicContact CE2-CG 4.39Å; F206-L210 HydrophobicContact CZ-CD1 3.77Å; F206-L210 HydrophobicContact CZ-CD2 4.15Å; F206-L210 HydrophobicContact CZ-CG 4.14Å; F206-L210 PolarHBondContact O-N 3.05Å; F206-L210 VanDerWaalsContact O-N 3.16Å; A207-L210 PolarHBondContact O-N 3.26Å; R208-L210 VanDerWaalsContact C-N 3.32Å; L210-P261 HydrophobicContact CD1-CG 4.09Å
211D83.6Confident83.8Confident48 Ų4861.7 Ų61.726%0.25735%0.353SS..  trans-83.3115.9178.1177.741.1000112.4A207 R208 S213 S214 S215A207-D211 PolarHBondContact O-N 3.25Å; R208-D211 PolarHBondContact O-N 3.47Å; D211-S213 PolarHBondContact O-N 2.94Å; D211-S213 PolarHBondContact OD1-N 3.38Å; D211-S213 PolarHBondContact OD1-OG 3.02Å; D211-S213 PolarHBondContact OD2-OG 3.22Å; D211-S214 PolarHBondContact O-N 3.15Å; D211-S214 VanDerWaalsContact OD2-CB 3.28Å; D211-S214 WeakPolarHBondContact OD2-CB 3.47Å; D211-S214 PolarHBondContact OD2-N 3.04Å; D211-S214 PolarHBondContact OD2-OG 2.7Å; D211-S215 PolarHBondContact O-N 3.46Å; D211-S215 PolarHBondContact O-OG 2.95Å; D211-S215 VanDerWaalsContact O-OG 3.1Å
212C73.2Confident83.5Confident102 Ų10264.2 Ų64.269%0.68937%0.368SS*.Hα-helixtrans-60.5-29.4177.9-64.50000112.7S215 V216C212-S215 WeakPolarHBondContact CA-OG 3.37Å; C212-S215 PolarHBondContact O-OG 3.37Å; C212-V216 WeakPolarHBondContact O-CG2 3.48Å
213S76.6Confident83.1Confident49 Ų4964.1 Ų64.134%0.34336%0.361SS..Hα-helixtrans-72.6-38.3179.689.20000112.3D211 R217 R265D211-S213 PolarHBondContact O-N 2.94Å; D211-S213 PolarHBondContact OD1-N 3.38Å; D211-S213 PolarHBondContact OD1-OG 3.02Å; D211-S213 PolarHBondContact OD2-OG 3.22Å; S213-R217 WeakPolarHBondContact O-CG 3.44Å; S213-R265 PolarHBondContact OG-NH1 3.27Å
214S73.1Confident82.9Confident4 Ų463.5 Ų63.53%0.02836%0.358CS..Hα-helixtrans-78.5-38.9-178.8-59.80000112.3D211 V216 R217 Q218D211-S214 PolarHBondContact O-N 3.15Å; D211-S214 VanDerWaalsContact OD2-CB 3.28Å; D211-S214 WeakPolarHBondContact OD2-CB 3.47Å; D211-S214 PolarHBondContact OD2-N 3.04Å; D211-S214 PolarHBondContact OD2-OG 2.7Å; S214-V216 VanDerWaalsContact C-N 3.26Å; S214-V216 PolarHBondContact O-N 3.49Å; S214-R217 PolarHBondContact O-N 2.81Å; S214-R217 VanDerWaalsContact O-N 3.07Å; S214-Q218 PolarHBondContact O-N 3.16Å
215S65.6Low82.9Confident48 Ų4865 Ų6534%0.33637%0.37SS..Hα-helixtrans-63.4-29.7179.456.30000113.6D211 C212 P219D211-S215 PolarHBondContact O-N 3.46Å; D211-S215 PolarHBondContact O-OG 2.95Å; D211-S215 VanDerWaalsContact O-OG 3.1Å; C212-S215 WeakPolarHBondContact CA-OG 3.37Å; C212-S215 PolarHBondContact O-OG 3.37Å; S215-P219 WeakPolarHBondContact O-CA 3.22Å
216V60.9Low82.8Confident120 Ų12066.6 Ų66.673%0.72739%0.386SS*.Hα-helixtrans-73.1-33.8173.8175.30000112C212 S214C212-V216 WeakPolarHBondContact O-CG2 3.48Å; S214-V216 VanDerWaalsContact C-N 3.26Å; S214-V216 PolarHBondContact O-N 3.49Å
217R68.1Low82.8Confident92 Ų9261 Ų6135%0.34736%0.363SS..Hα-helixtrans-87.2-33.6-176.7-65.6-179.1-170.6-174.44.3113.3S213 S214 P219 E269 E270 W271S213-R217 WeakPolarHBondContact O-CG 3.44Å; S214-R217 PolarHBondContact O-N 2.81Å; S214-R217 VanDerWaalsContact O-N 3.07Å; R217-P219 VanDerWaalsContact C-CD 3.41Å; R217-P219 VanDerWaalsContact O-CD 3.28Å; R217-P219 WeakPolarHBondContact O-CD 3.27Å; R217-E269 PolarHBondContact NH1-O 3.29Å; R217-E270 VanDerWaalsContact NH1-C 3.31Å; R217-E270 PolarHBondContact NH1-O 3.12Å; R217-W271 VanDerWaalsContact NH1-C 3.26Å; R217-W271 PolarHBondContact NH1-O 3.31Å
218Q73.1Confident82.8Confident43 Ų4360.8 Ų60.820%0.20136%0.36CS..SBendtrans-118.169179.4-54.2-61-41.200109.3S214 S220 M223 S224S214-Q218 PolarHBondContact O-N 3.16Å; Q218-S220 PolarHBondContact O-N 3.25Å; Q218-M223 HydrophobicContact CB-CB 4.16Å; Q218-M223 VanDerWaalsContact OE1-CB 3.32Å; Q218-S224 PolarHBondContact O-OG 2.95Å
219P68.9Low83.1Confident107 Ų10762.9 Ų62.970%0.69538%0.375SS*.  trans-68.1-8.4-167.728.4-36.7000114S215 R217S215-P219 WeakPolarHBondContact O-CA 3.22Å; R217-P219 VanDerWaalsContact C-CD 3.41Å; R217-P219 VanDerWaalsContact O-CD 3.28Å; R217-P219 WeakPolarHBondContact O-CD 3.27Å
220S85.5Confident83.4Confident31 Ų3162.8 Ų62.822%0.21736%0.361CS..SBendtrans-114.6148.9-17973.60000112Q218 H222 M223 S224Q218-S220 PolarHBondContact O-N 3.25Å; S220-H222 VanDerWaalsContact C-N 3.31Å; S220-H222 PolarHBondContact O-N 3.28Å; S220-H222 PolarHBondContact OG-CE1 3.09Å; S220-H222 PolarHBondContact OG-ND1 3.05Å; S220-M223 PolarHBondContact O-N 2.99Å; S220-M223 VanDerWaalsContact OG-CB 3.26Å; S220-M223 WeakPolarHBondContact OG-CB 3.49Å; S220-M223 WeakPolarHBondContact OG-CG 3.25Å; S220-M223 PolarHBondContact OG-N 3.35Å; S220-M223 PolarHBondContact OG-SD 3.34Å; S220-S224 PolarHBondContact O-N 3.16Å; S220-S224 VanDerWaalsContact O-N 3.08Å
221L90Very high83.9Confident139 Ų13962.7 Ų62.773%0.72836%0.361SS*.Hα-helixtrans-58.6-41.8178.517962.2000112.3T205 M223 S224 A225T205-L221 HydrophobicContact CG2-CD1 4.22Å; L221-M223 VanDerWaalsContact C-N 3.33Å; L221-M223 PolarHBondContact O-N 2.63Å; L221-S224 PolarHBondContact O-N 3.36Å; L221-A225 WeakPolarHBondContact O-CB 3.28Å; L221-A225 PolarHBondContact O-N 3.02Å
222H91.2Very high84.5Confident140 Ų14063.1 Ų63.165%0.64836%0.363SS*.Hα-helixtrans-66.1-36.8-178.673.3-89.3000112S220 A226S220-H222 VanDerWaalsContact C-N 3.31Å; S220-H222 PolarHBondContact O-N 3.28Å; S220-H222 PolarHBondContact OG-CE1 3.09Å; S220-H222 PolarHBondContact OG-ND1 3.05Å; H222-A226 VanDerWaalsContact O-CB 3.31Å; H222-A226 WeakPolarHBondContact O-CB 3.41Å; H222-A226 PolarHBondContact O-N 2.68Å
223M89.7Confident85.7Confident68 Ų6858.7 Ų58.734%0.33533%0.332SS..Hα-helixtrans-67.2-45.7175.7-78.5179.87700111.7Q218 S220 L221 A225 A226 A227Q218-M223 HydrophobicContact CB-CB 4.16Å; Q218-M223 VanDerWaalsContact OE1-CB 3.32Å; S220-M223 PolarHBondContact O-N 2.99Å; S220-M223 VanDerWaalsContact OG-CB 3.26Å; S220-M223 WeakPolarHBondContact OG-CB 3.49Å; S220-M223 WeakPolarHBondContact OG-CG 3.25Å; S220-M223 PolarHBondContact OG-N 3.35Å; S220-M223 PolarHBondContact OG-SD 3.34Å; L221-M223 VanDerWaalsContact C-N 3.33Å; L221-M223 PolarHBondContact O-N 2.63Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 3.34Å; M223-A226 PolarHBondContact O-N 2.92Å; M223-A227 WeakPolarHBondContact O-CB 3.1Å; M223-A227 PolarHBondContact O-N 3.23Å
224S92.1Very high86.7Confident11 Ų1158.5 Ų58.58%0.07733%0.327CS..Hα-helixtrans-62.1-40.7175.4-69.90000112.4Q218 S220 L221 A227 A228Q218-S224 PolarHBondContact O-OG 2.95Å; S220-S224 PolarHBondContact O-N 3.16Å; S220-S224 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact O-N 3.36Å; S224-A227 PolarHBondContact O-N 3.45Å; S224-A228 WeakPolarHBondContact O-CB 3.26Å; S224-A228 PolarHBondContact O-N 3.07Å
225A94.7Very high87.9Confident33 Ų3364.8 Ų64.827%0.27335%0.354SS..Hα-helixtrans-67.4-3817600000112.5T205 L221 M223 S229T205-A225 HydrophobicContact CG2-CB 4.27Å; L221-A225 WeakPolarHBondContact O-CB 3.28Å; L221-A225 PolarHBondContact O-N 3.02Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 3.34Å; A225-S229 WeakPolarHBondContact O-CB 3.31Å; A225-S229 PolarHBondContact O-N 3.29Å; A225-S229 PolarHBondContact O-OG 2.91Å
226A94Very high89.5Confident60 Ų6065.6 Ų65.650%0.49635%0.352SS..Hα-helixtrans-65.7-43.4174.400000111.5H222 M223 S229 R230H222-A226 VanDerWaalsContact O-CB 3.31Å; H222-A226 WeakPolarHBondContact O-CB 3.41Å; H222-A226 PolarHBondContact O-N 2.68Å; M223-A226 PolarHBondContact O-N 2.92Å; A226-S229 WeakPolarHBondContact O-CB 3.47Å; A226-S229 PolarHBondContact O-N 3.16Å; A226-S229 VanDerWaalsContact O-N 3.07Å; A226-R230 PolarHBondContact O-N 3.34Å
227A93Very high91.2Very high8 Ų859.9 Ų59.97%0.06632%0.318CS..Hα-helixtrans-60.5-47.1175.600000111.8M223 S224 S229 R230M223-A227 WeakPolarHBondContact O-CB 3.1Å; M223-A227 PolarHBondContact O-N 3.23Å; S224-A227 PolarHBondContact O-N 3.45Å; A227-S229 PolarHBondContact O-N 3.25Å; A227-R230 WeakPolarHBondContact O-CB 3.43Å; A227-R230 WeakPolarHBondContact O-CG 3.42Å; A227-R230 PolarHBondContact O-N 2.85Å; A227-R230 VanDerWaalsContact O-N 3.16Å
228A95.8Very high92.7Very high0 Ų057.7 Ų57.70%031%0.312CS..Hα-helixtrans-65.6-18.1174.400000113.8R201 T205 S224 T233R201-A228 WeakPolarHBondContact CG-O 3.43Å; R201-A228 WeakPolarHBondContact O-CB 3.2Å; T205-A228 WeakPolarHBondContact OG1-CB 3.14Å; S224-A228 WeakPolarHBondContact O-CB 3.26Å; S224-A228 PolarHBondContact O-N 3.07Å; A228-T233 VanDerWaalsContact O-CB 3.27Å; A228-T233 WeakPolarHBondContact O-CB 3.13Å; A228-T233 WeakPolarHBondContact O-CG2 3.39Å; A228-T233 PolarHBondContact O-OG1 3.37Å
229S97.5Very high93.8Very high45 Ų4558.9 Ų58.932%0.31532%0.32SS..THydrogen-bonded Turntrans-89.21.5176.9-60.10000113.8R201 A225 A226 A227R201-S229 WeakPolarHBondContact CD-OG 3.31Å; A225-S229 WeakPolarHBondContact O-CB 3.31Å; A225-S229 PolarHBondContact O-N 3.29Å; A225-S229 PolarHBondContact O-OG 2.91Å; A226-S229 WeakPolarHBondContact O-CB 3.47Å; A226-S229 PolarHBondContact O-N 3.16Å; A226-S229 VanDerWaalsContact O-N 3.07Å; A227-S229 PolarHBondContact O-N 3.25Å
230R96.5Very high95.2Very high65 Ų6554.2 Ų54.225%0.24529%0.289CS..SBendtrans-71.9155.2177.4-66.4175.261.672.78.3111.4A226 A227 I232 T233 D266 M312A226-R230 PolarHBondContact O-N 3.34Å; A227-R230 WeakPolarHBondContact O-CB 3.43Å; A227-R230 WeakPolarHBondContact O-CG 3.42Å; A227-R230 PolarHBondContact O-N 2.85Å; A227-R230 VanDerWaalsContact O-N 3.16Å; R230-I232 PolarHBondContact O-N 3.39Å; R230-I232 VanDerWaalsContact O-N 3.12Å; R230-T233 WeakPolarHBondContact O-CB 3.47Å; R230-T233 PolarHBondContact O-N 3.3Å; R230-D266 IonicContact CZ-OD1 2.75Å; R230-D266 IonicContact CZ-OD2 3.81Å; R230-D266 IonicContact NE-OD1 2.67Å; R230-D266 PolarHBondContact NE-OD1 3.08Å; R230-D266 IonicContact NE-OD2 3.95Å; R230-D266 PolarHBondContact NE-OD2 3.49Å; R230-D266 VanDerWaalsContact NH2-CG 3.33Å; R230-D266 IonicContact NH2-OD1 3.82Å; R230-D266 PolarHBondContact NH2-OD1 3.22Å; R230-D266 IonicContact NH2-OD2 3.01Å; R230-D266 PolarHBondContact NH2-OD2 2.67Å; R230-M312 PolarHBondContact NH2-SD 2.67Å
231D98Very high95.8Very high103 Ų10352.7 Ų52.755%0.55128%0.279SS*.Hα-helixtrans-58.3-32-169.8-61.5-32.6000113.8T233 L234 F235D231-T233 PolarHBondContact O-N 3.32Å; D231-L234 CarbonylContact O-C 3.2Å; D231-L234 WeakPolarHBondContact O-CA 3.14Å; D231-L234 PolarHBondContact O-N 2.71Å; D231-F235 HydrophobicContact CB-CD2 4.09Å; D231-F235 HydrophobicContact CB-CE2 4.04Å; D231-F235 VanDerWaalsContact O-CD2 3.27Å; D231-F235 WeakPolarHBondContact O-CD2 3.32Å; D231-F235 PolarHBondContact O-N 3.28Å
232I97.8Very high96.2Very high58 Ų5848.2 Ų48.230%0.29725%0.254SS..Hα-helixtrans-56.5-36.5176.3-167.9172.4000112.5R230 H236 C264 R265 D266R230-I232 PolarHBondContact O-N 3.39Å; R230-I232 VanDerWaalsContact O-N 3.12Å; I232-H236 VanDerWaalsContact O-CB 3.3Å; I232-H236 WeakPolarHBondContact O-CB 3.23Å; I232-H236 PolarHBondContact O-N 3.25Å; I232-H236 VanDerWaalsContact O-N 3.07Å; I232-C264 HydrophobicContact CG1-CB 4.42Å; I232-C264 HydrophobicContact CG2-CB 4.41Å; I232-R265 WeakPolarHBondContact CD1-O 3.47Å; I232-D266 HydrophobicContact CB-CB 4.33Å; I232-D266 HydrophobicContact CD1-CB 4.09Å; I232-D266 HydrophobicContact CG2-CB 4.11Å
233T97.9Very high96.4Very high8 Ų846.7 Ų46.75%0.04926%0.255CS..Hα-helixtrans-74.2-35.1177.6-55.50000110.8A228 R230 D231 A237A228-T233 VanDerWaalsContact O-CB 3.27Å; A228-T233 WeakPolarHBondContact O-CB 3.13Å; A228-T233 WeakPolarHBondContact O-CG2 3.39Å; A228-T233 PolarHBondContact O-OG1 3.37Å; R230-T233 WeakPolarHBondContact O-CB 3.47Å; R230-T233 PolarHBondContact O-N 3.3Å; D231-T233 PolarHBondContact O-N 3.32Å; T233-A237 WeakPolarHBondContact O-CB 3.34Å; T233-A237 PolarHBondContact O-N 2.7Å
234L98.1Very high96.8Very high45 Ų4545.6 Ų45.624%0.23625%0.25CS..Hα-helixtrans-70.5-46.1177.9-58.9179.8000111.3L197 R201 D231 A237 M238L197-L234 HydrophobicContact CB-CD2 4.32Å; L197-L234 HydrophobicContact CD2-CD2 4.21Å; R201-L234 HydrophobicContact CG-CD2 4.03Å; D231-L234 CarbonylContact O-C 3.2Å; D231-L234 WeakPolarHBondContact O-CA 3.14Å; D231-L234 PolarHBondContact O-N 2.71Å; L234-A237 WeakPolarHBondContact O-CB 3.41Å; L234-A237 PolarHBondContact O-N 3.23Å; L234-A237 VanDerWaalsContact O-N 3.16Å; L234-M238 VanDerWaalsContact O-CG 3.31Å; L234-M238 WeakPolarHBondContact O-CG 3.47Å; L234-M238 PolarHBondContact O-N 2.68Å
235F98.1Very high97Very high137 Ų13747.8 Ų47.860%0.60127%0.274SS*.Hα-helixtrans-59.1-48.5174.4-80-62.6000111.1D231 A237 M238 D239D231-F235 HydrophobicContact CB-CD2 4.09Å; D231-F235 HydrophobicContact CB-CE2 4.04Å; D231-F235 VanDerWaalsContact O-CD2 3.27Å; D231-F235 WeakPolarHBondContact O-CD2 3.32Å; D231-F235 PolarHBondContact O-N 3.28Å; F235-A237 PolarHBondContact O-N 3.28Å; F235-M238 PolarHBondContact O-N 2.67Å; F235-D239 VanDerWaalsContact O-CG 3.28Å; F235-D239 PolarHBondContact O-N 2.98Å
236H98.2Very high97.1Very high64 Ų6447.3 Ų47.330%0.29627%0.265SS..Hα-helixtrans-57.5-38.9175.5-179.165.1000112.6I232 T240 C264I232-H236 VanDerWaalsContact O-CB 3.3Å; I232-H236 WeakPolarHBondContact O-CB 3.23Å; I232-H236 PolarHBondContact O-N 3.25Å; I232-H236 VanDerWaalsContact O-N 3.07Å; H236-T240 VanDerWaalsContact O-CB 3.31Å; H236-T240 WeakPolarHBondContact O-CB 3.28Å; H236-T240 PolarHBondContact O-N 3.2Å; H236-T240 PolarHBondContact O-OG1 3.15Å; H236-C264 PolarHBondContact CD2-SG 3.08Å
237A98.1Very high97.2Very high0 Ų047.3 Ų47.30%026%0.257CS..Hα-helixtrans-65.5-42.5175.400000112.2F196 L197 A200 T233 L234 F235 T240 L241F196-A237 HydrophobicContact CD1-CB 4.25Å; F196-A237 HydrophobicContact CE1-CB 3.9Å; F196-A237 VanDerWaalsContact CE1-O 3.31Å; F196-A237 WeakPolarHBondContact CE1-O 3.48Å; L197-A237 HydrophobicContact CD2-CB 3.7Å; A200-A237 HydrophobicContact CB-CB 3.57Å; T233-A237 WeakPolarHBondContact O-CB 3.34Å; T233-A237 PolarHBondContact O-N 2.7Å; L234-A237 WeakPolarHBondContact O-CB 3.41Å; L234-A237 PolarHBondContact O-N 3.23Å; L234-A237 VanDerWaalsContact O-N 3.16Å; F235-A237 PolarHBondContact O-N 3.28Å; A237-T240 WeakPolarHBondContact O-CB 3.44Å; A237-T240 PolarHBondContact O-N 3.44Å; A237-L241 PolarHBondContact O-N 2.91Å
238M97.8Very high97.3Very high47 Ų4749 Ų4923%0.23226%0.264CS..Hα-helixtrans-63.3-43.6176.6-64.2-63.5-81.200111.5W182 I193 L197 L234 F235 T240 L241 H242W182-M238 HydrophobicContact CD2-CE 3.92Å; W182-M238 HydrophobicContact CE3-CB 4.09Å; W182-M238 HydrophobicContact CE3-CE 3.74Å; W182-M238 HydrophobicContact CE3-SD 4.49Å; W182-M238 HydrophobicContact CH2-CE 3.24Å; W182-M238 HydrophobicContact CH2-SD 3.85Å; W182-M238 HydrophobicContact CZ2-CE 3.45Å; W182-M238 VanDerWaalsContact CZ2-CE 3.45Å; W182-M238 HydrophobicContact CZ3-CB 4.04Å; W182-M238 HydrophobicContact CZ3-CE 3.38Å; W182-M238 WeakPolarHBondContact CZ3-O 3.46Å; W182-M238 HydrophobicContact CZ3-SD 3.78Å; I193-M238 HydrophobicContact CG2-CE 4.24Å; I193-M238 HydrophobicContact CG2-SD 3.85Å; L197-M238 HydrophobicContact CD1-SD 4.38Å; L197-M238 HydrophobicContact CD2-CG 4.25Å; L197-M238 HydrophobicContact CD2-SD 3.95Å; L197-M238 HydrophobicContact CG-SD 4.48Å; L234-M238 VanDerWaalsContact O-CG 3.31Å; L234-M238 WeakPolarHBondContact O-CG 3.47Å; L234-M238 PolarHBondContact O-N 2.68Å; F235-M238 PolarHBondContact O-N 2.67Å; M238-T240 VanDerWaalsContact C-N 3.3Å; M238-T240 PolarHBondContact O-N 2.9Å; M238-L241 WeakPolarHBondContact O-CB 3.38Å; M238-L241 PolarHBondContact O-N 3.44Å; M238-L241 HydrophobicContact SD-CD1 4.49Å; M238-H242 PolarHBondContact O-N 3.28Å; M238-H242 VanDerWaalsContact O-N 3.07Å
239D97.9Very high97.3Very high67 Ų6754.2 Ų54.236%0.35830%0.296SS..Hα-helixtrans-63.3-38.8175.1-62.9-17.6000111.1F235 L241 H242 T243F235-D239 VanDerWaalsContact O-CG 3.28Å; F235-D239 PolarHBondContact O-N 2.98Å; D239-L241 VanDerWaalsContact C-N 3.32Å; D239-L241 PolarHBondContact O-N 3.21Å; D239-H242 PolarHBondContact O-N 3.16Å; D239-T243 WeakPolarHBondContact O-CB 3.19Å; D239-T243 VanDerWaalsContact O-CG2 3.31Å; D239-T243 WeakPolarHBondContact O-CG2 3.43Å; D239-T243 PolarHBondContact O-N 3.07Å; D239-T243 PolarHBondContact O-OG1 3.04Å
240T97.9Very high97.2Very high9 Ų959.9 Ų59.96%0.05531%0.311CS..Hα-helixtrans-62.5-39.4176.4-600000111.3F196 H236 A237 M238 T243 N244 A251 A254 L255F196-T240 HydrophobicContact CZ-CG2 4.2Å; H236-T240 VanDerWaalsContact O-CB 3.31Å; H236-T240 WeakPolarHBondContact O-CB 3.28Å; H236-T240 PolarHBondContact O-N 3.2Å; H236-T240 PolarHBondContact O-OG1 3.15Å; A237-T240 WeakPolarHBondContact O-CB 3.44Å; A237-T240 PolarHBondContact O-N 3.44Å; M238-T240 VanDerWaalsContact C-N 3.3Å; M238-T240 PolarHBondContact O-N 2.9Å; T240-T243 WeakPolarHBondContact CA-OG1 2.99Å; T240-T243 PolarHBondContact O-OG1 3.15Å; T240-N244 WeakPolarHBondContact O-CB 3.41Å; T240-N244 PolarHBondContact O-N 3.44Å; T240-N244 PolarHBondContact O-ND2 3.36Å; T240-A251 HydrophobicContact CG2-CB 4.19Å; T240-A254 HydrophobicContact CG2-CB 3.9Å; T240-L255 HydrophobicContact CG2-CD2 4.3Å; T240-L255 HydrophobicContact CG2-CG 4.43Å
241L97.7Very high97.3Very high0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-63.5-48173.2-73.7172.3000111.4W182 L188 I193 F196 A237 M238 D239 N244 G245 Y246 M248 A251W182-L241 HydrophobicContact CH2-CD1 4.09Å; W182-L241 HydrophobicContact CZ3-CB 4.01Å; W182-L241 HydrophobicContact CZ3-CD1 4.13Å; L188-L241 HydrophobicContact CD1-CD1 4.38Å; L188-L241 HydrophobicContact CD1-CD2 3.9Å; I193-L241 HydrophobicContact CG2-CD1 4.35Å; F196-L241 HydrophobicContact CB-CD1 4.39Å; F196-L241 HydrophobicContact CB-CD2 4.45Å; F196-L241 HydrophobicContact CD1-CD1 3.59Å; F196-L241 HydrophobicContact CD1-CD2 3.71Å; F196-L241 HydrophobicContact CD1-CG 3.49Å; F196-L241 VanDerWaalsContact CD1-CG 3.49Å; F196-L241 HydrophobicContact CD2-CD2 4.12Å; F196-L241 HydrophobicContact CE1-CD1 4.16Å; F196-L241 HydrophobicContact CE1-CD2 3.88Å; F196-L241 HydrophobicContact CE1-CG 3.58Å; F196-L241 HydrophobicContact CE2-CD2 4.24Å; F196-L241 HydrophobicContact CG-CD1 4.17Å; F196-L241 HydrophobicContact CG-CD2 3.81Å; F196-L241 HydrophobicContact CG-CG 4.11Å; F196-L241 HydrophobicContact CZ-CD2 4.12Å; F196-L241 HydrophobicContact CZ-CG 4.24Å; A237-L241 PolarHBondContact O-N 2.91Å; M238-L241 WeakPolarHBondContact O-CB 3.38Å; M238-L241 PolarHBondContact O-N 3.44Å; M238-L241 HydrophobicContact SD-CD1 4.49Å; D239-L241 VanDerWaalsContact C-N 3.32Å; D239-L241 PolarHBondContact O-N 3.21Å; L241-N244 PolarHBondContact O-N 3Å; L241-G245 PolarHBondContact O-N 3.31Å; L241-Y246 HydrophobicContact CB-CD1 4.3Å; L241-Y246 WeakPolarHBondContact O-CA 3.47Å; L241-Y246 PolarHBondContact O-N 3.42Å; L241-M248 HydrophobicContact CD2-CE 4.28Å; L241-M248 HydrophobicContact CD2-SD 4.32Å; L241-A251 HydrophobicContact CD2-CB 3.84Å
242H97.4Very high97.2Very high45 Ų4555.2 Ų55.221%0.20829%0.29CS..Hα-helixtrans-62.4-51-177.7179.565.6000112.3K180 I181 M238 D239 N244 G245 Y246K180-H242 PolarHBondContact O-NE2 2.71Å; I181-H242 VanDerWaalsContact O-CB 3.27Å; I181-H242 WeakPolarHBondContact O-CB 3.5Å; I181-H242 PolarHBondContact O-CD2 2.78Å; M238-H242 PolarHBondContact O-N 3.28Å; M238-H242 VanDerWaalsContact O-N 3.07Å; D239-H242 PolarHBondContact O-N 3.16Å; H242-N244 PolarHBondContact O-N 3.23Å; H242-G245 PolarHBondContact O-N 3.46Å; H242-Y246 HydrophobicContact CB-CE1 4.48Å; H242-Y246 AromaticContact ND1-CE2 3.7Å; H242-Y246 AromaticContact ND1-CZ 3.53Å; H242-Y246 PolarHBondContact ND1-OH 3.42Å
243T97Very high97.1Very high107 Ų10755.5 Ų55.566%0.65630%0.301SS*.Hα-helixtrans-63.4-24.6-179.252.30000113.3D239 T240 G245D239-T243 WeakPolarHBondContact O-CB 3.19Å; D239-T243 VanDerWaalsContact O-CG2 3.31Å; D239-T243 WeakPolarHBondContact O-CG2 3.43Å; D239-T243 PolarHBondContact O-N 3.07Å; D239-T243 PolarHBondContact O-OG1 3.04Å; T240-T243 WeakPolarHBondContact CA-OG1 2.99Å; T240-T243 PolarHBondContact O-OG1 3.15Å; T243-G245 VanDerWaalsContact C-N 3.33Å
244N96.9Very high97Very high46 Ų4656.9 Ų56.925%0.24631%0.313CS..THydrogen-bonded Turntrans-94.316.6174.4-71.9-84.1000113.3T240 L241 H242 Y246 D247 R250 A251T240-N244 WeakPolarHBondContact O-CB 3.41Å; T240-N244 PolarHBondContact O-N 3.44Å; T240-N244 PolarHBondContact O-ND2 3.36Å; L241-N244 PolarHBondContact O-N 3Å; H242-N244 PolarHBondContact O-N 3.23Å; N244-Y246 VanDerWaalsContact C-N 3.26Å; N244-Y246 PolarHBondContact O-N 3.13Å; N244-D247 PolarHBondContact O-N 2.96Å; N244-R250 HydrophobicContact CB-CB 4.13Å; N244-A251 HydrophobicContact CB-CB 4.22Å
245G95.9Very high97Very high56 Ų5655 Ų5558%0.57730%0.303SS*.THydrogen-bonded Turntrans63.830.517600000113.5L241 H242 T243 D247L241-G245 PolarHBondContact O-N 3.31Å; H242-G245 PolarHBondContact O-N 3.46Å; T243-G245 VanDerWaalsContact C-N 3.33Å; G245-D247 PolarHBondContact O-N 2.53Å
246Y97.3Very high96.9Very high23 Ų2352 Ų529%0.0930%0.296CS..THydrogen-bonded Turntrans62.119-178.1-56.6-78.5000115W182 D183 S186 L188 L241 H242 N244 M248W182-Y246 HydrophobicContact CD2-CE1 4.36Å; W182-Y246 AromaticContact CE3-CE1 3.97Å; W182-Y246 HydrophobicContact CE3-CE1 3.97Å; W182-Y246 HydrophobicContact CH2-CD1 4.5Å; W182-Y246 AromaticContact CH2-CE1 3.87Å; W182-Y246 HydrophobicContact CH2-CE1 3.87Å; W182-Y246 HydrophobicContact CZ2-CE1 4.24Å; W182-Y246 AromaticContact CZ3-CE1 3.73Å; W182-Y246 HydrophobicContact CZ3-CE1 3.73Å; D183-Y246 HydrophobicContact CB-CE2 3.84Å; D183-Y246 WeakPolarHBondContact CB-OH 3.41Å; D183-Y246 PolarHBondContact N-OH 3.12Å; S186-Y246 VanDerWaalsContact CB-CD1 3.47Å; L188-Y246 HydrophobicContact CD1-CD1 4.1Å; L188-Y246 WeakPolarHBondContact CD2-O 3.39Å; L241-Y246 HydrophobicContact CB-CD1 4.3Å; L241-Y246 WeakPolarHBondContact O-CA 3.47Å; L241-Y246 PolarHBondContact O-N 3.42Å; H242-Y246 HydrophobicContact CB-CE1 4.48Å; H242-Y246 AromaticContact ND1-CE2 3.7Å; H242-Y246 AromaticContact ND1-CZ 3.53Å; H242-Y246 PolarHBondContact ND1-OH 3.42Å; N244-Y246 VanDerWaalsContact C-N 3.26Å; N244-Y246 PolarHBondContact O-N 3.13Å; Y246-M248 PolarHBondContact O-N 2.86Å
247D96.4Very high96.6Very high61 Ų6152 Ų5233%0.32630%0.302SS..  trans-82.5108.3170.8-178.1-27.8000109.9N244 G245 T249 R250 A251N244-D247 PolarHBondContact O-N 2.96Å; G245-D247 PolarHBondContact O-N 2.53Å; D247-T249 VanDerWaalsContact C-N 3.28Å; D247-T249 PolarHBondContact O-N 2.92Å; D247-T249 WeakPolarHBondContact OD1-CB 3.42Å; D247-T249 PolarHBondContact OD1-N 3.31Å; D247-R250 HydrophobicContact CB-CB 4.06Å; D247-R250 HydrophobicContact CB-CG 4.12Å; D247-R250 PolarHBondContact O-N 3.31Å; D247-R250 PolarHBondContact OD1-N 2.94Å; D247-R250 VanDerWaalsContact OD1-N 3.16Å; D247-R250 WeakPolarHBondContact OD2-CD 3.5Å; D247-R250 WeakPolarHBondContact OD2-CG 3.38Å; D247-R250 IonicContact OD2-NE 3.32Å; D247-R250 PolarHBondContact OD2-NE 3.36Å; D247-A251 VanDerWaalsContact O-CB 3.32Å; D247-A251 WeakPolarHBondContact O-CB 3.2Å; D247-A251 PolarHBondContact O-N 2.94Å
248M95Very high95.9Very high43 Ų4362.1 Ų62.121%0.21235%0.349CS..Hα-helixtrans-56-40-178.7-169.461.665.600112.9L188 Q192 F196 L241 Y246 I252L188-M248 HydrophobicContact CD1-CE 4.08Å; L188-M248 HydrophobicContact CD2-CE 4.1Å; Q192-M248 HydrophobicContact CB-CE 3.97Å; Q192-M248 WeakPolarHBondContact O-CE 3.36Å; F196-M248 HydrophobicContact CB-CE 3.85Å; F196-M248 HydrophobicContact CB-SD 3.62Å; F196-M248 HydrophobicContact CD2-CE 4.47Å; F196-M248 HydrophobicContact CD2-SD 3.25Å; F196-M248 WeakPolarHBondContact CD2-SD 3.46Å; F196-M248 HydrophobicContact CE2-SD 4.17Å; F196-M248 HydrophobicContact CG-CE 4.41Å; F196-M248 HydrophobicContact CG-SD 3.73Å; L241-M248 HydrophobicContact CD2-CE 4.28Å; L241-M248 HydrophobicContact CD2-SD 4.32Å; Y246-M248 PolarHBondContact O-N 2.86Å; M248-I252 HydrophobicContact CG-CD1 3.98Å; M248-I252 WeakPolarHBondContact O-CB 3.4Å; M248-I252 WeakPolarHBondContact O-CG1 3.41Å; M248-I252 PolarHBondContact O-N 3.17Å; M248-I252 HydrophobicContact SD-CD1 4.37Å
249T95.5Very high94.9Very high110 Ų11063.9 Ų63.968%0.67538%0.38SS*.Hα-helixtrans-70.7-43-176.6-58.20000110.6D247 A253D247-T249 VanDerWaalsContact C-N 3.28Å; D247-T249 PolarHBondContact O-N 2.92Å; D247-T249 WeakPolarHBondContact OD1-CB 3.42Å; D247-T249 PolarHBondContact OD1-N 3.31Å; T249-A253 PolarHBondContact O-N 3.04Å; T249-A253 VanDerWaalsContact O-N 3.11Å
250R96.5Very high94.5Very high164 Ų16462 Ų6262%0.61938%0.376SS*.Hα-helixtrans-65.2-43.4175-68-179.9-176.8-159.4-3.7111.7N244 D247 I252 A253 A254N244-R250 HydrophobicContact CB-CB 4.13Å; D247-R250 HydrophobicContact CB-CB 4.06Å; D247-R250 HydrophobicContact CB-CG 4.12Å; D247-R250 PolarHBondContact O-N 3.31Å; D247-R250 PolarHBondContact OD1-N 2.94Å; D247-R250 VanDerWaalsContact OD1-N 3.16Å; D247-R250 WeakPolarHBondContact OD2-CD 3.5Å; D247-R250 WeakPolarHBondContact OD2-CG 3.38Å; D247-R250 IonicContact OD2-NE 3.32Å; D247-R250 PolarHBondContact OD2-NE 3.36Å; R250-I252 PolarHBondContact O-N 3.37Å; R250-A253 PolarHBondContact O-N 3.47Å; R250-A254 PolarHBondContact O-N 3.31Å
251A97.1Very high94.3Very high0 Ų062.9 Ų62.90%038%0.382CS..Hα-helixtrans-62.2-41.6178.300000112.3F196 T240 L241 N244 D247 A254 L255F196-A251 HydrophobicContact CE2-CB 3.67Å; F196-A251 HydrophobicContact CZ-CB 3.65Å; T240-A251 HydrophobicContact CG2-CB 4.19Å; L241-A251 HydrophobicContact CD2-CB 3.84Å; N244-A251 HydrophobicContact CB-CB 4.22Å; D247-A251 VanDerWaalsContact O-CB 3.32Å; D247-A251 WeakPolarHBondContact O-CB 3.2Å; D247-A251 PolarHBondContact O-N 2.94Å; A251-A254 WeakPolarHBondContact O-CB 3.46Å; A251-A254 PolarHBondContact O-N 2.83Å; A251-L255 PolarHBondContact O-N 3.26Å
252I96.3Very high94.2Very high69 Ų6965 Ų6535%0.35439%0.394SS..Hα-helixtrans-64.3-42.6175.3-69.3168.1000111F196 V199 M248 R250 A254 L255F196-I252 HydrophobicContact CD2-CG1 3.92Å; F196-I252 HydrophobicContact CE2-CG1 3.71Å; V199-I252 HydrophobicContact CG1-CG1 4.44Å; M248-I252 HydrophobicContact CG-CD1 3.98Å; M248-I252 WeakPolarHBondContact O-CB 3.4Å; M248-I252 WeakPolarHBondContact O-CG1 3.41Å; M248-I252 PolarHBondContact O-N 3.17Å; M248-I252 HydrophobicContact SD-CD1 4.37Å; R250-I252 PolarHBondContact O-N 3.37Å; I252-A254 PolarHBondContact O-N 3.11Å; I252-L255 WeakPolarHBondContact O-CB 3.25Å; I252-L255 PolarHBondContact O-N 3.36Å; I252-L255 VanDerWaalsContact O-N 3.14Å
253A95.8Very high93.9Very high64 Ų6465.6 Ų65.653%0.52940%0.399SS..Hα-helixtrans-61.7-34.4176.200000112T249 R250 L255 V256T249-A253 PolarHBondContact O-N 3.04Å; T249-A253 VanDerWaalsContact O-N 3.11Å; R250-A253 PolarHBondContact O-N 3.47Å; A253-L255 VanDerWaalsContact C-N 3.33Å; A253-L255 PolarHBondContact O-N 3.38Å; A253-V256 CarbonylContact O-C 3.56Å; A253-V256 VanDerWaalsContact O-C 3.3Å; A253-V256 PolarHBondContact O-N 3.09Å
254A97.1Very high93.8Very high37 Ų3761.4 Ų61.431%0.30637%0.374SS..Hα-helixtrans-68.5-27.4175.800000113.6T240 R250 A251 I252 V256 P257T240-A254 HydrophobicContact CG2-CB 3.9Å; R250-A254 PolarHBondContact O-N 3.31Å; A251-A254 WeakPolarHBondContact O-CB 3.46Å; A251-A254 PolarHBondContact O-N 2.83Å; I252-A254 PolarHBondContact O-N 3.11Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.77Å; A254-P257 WeakPolarHBondContact O-CD 3.24Å; A254-P257 WeakPolarHBondContact O-CG 3.18Å
255L97Very high93.7Very high6 Ų661.9 Ų61.93%0.03137%0.372CS..Hα-helixtrans-73.8-19.2174.6-67.3176.6000113.4F196 A200 V203 T240 A251 I252 A253 V262F196-L255 HydrophobicContact CE1-CD1 4.23Å; F196-L255 HydrophobicContact CE2-CD1 3.74Å; F196-L255 HydrophobicContact CZ-CD1 3.5Å; F196-L255 VanDerWaalsContact CZ-CD1 3.5Å; F196-L255 HydrophobicContact CZ-CG 4.02Å; A200-L255 HydrophobicContact CB-CD1 3.88Å; V203-L255 HydrophobicContact CG1-CB 4.37Å; T240-L255 HydrophobicContact CG2-CD2 4.3Å; T240-L255 HydrophobicContact CG2-CG 4.43Å; A251-L255 PolarHBondContact O-N 3.26Å; I252-L255 WeakPolarHBondContact O-CB 3.25Å; I252-L255 PolarHBondContact O-N 3.36Å; I252-L255 VanDerWaalsContact O-N 3.14Å; A253-L255 VanDerWaalsContact C-N 3.33Å; A253-L255 PolarHBondContact O-N 3.38Å; L255-V262 WeakPolarHBondContact O-CG2 3.48Å; L255-V262 PolarHBondContact O-N 3.01Å
256V95.3Very high93.7Very high74 Ų7459.6 Ų59.645%0.44835%0.347SS..SBendtrans-131.670.8177.1-164.40000110.9V203 A253 A254V203-V256 HydrophobicContact CG1-CG2 4.06Å; V203-V256 HydrophobicContact CG2-CG2 4.11Å; A253-V256 CarbonylContact O-C 3.56Å; A253-V256 VanDerWaalsContact O-C 3.3Å; A253-V256 PolarHBondContact O-N 3.09Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.77Å
257P92.4Very high93.6Very high63 Ų6360.1 Ų60.141%0.40935%0.35SS..  trans-59167.6172.7-22.134000112.2A254 G259 G260 V262A254-P257 WeakPolarHBondContact O-CD 3.24Å; A254-P257 WeakPolarHBondContact O-CG 3.18Å; P257-G259 PolarHBondContact O-N 3.45Å; P257-G260 WeakPolarHBondContact CD-O 3.46Å; P257-G260 PolarHBondContact O-N 2.92Å; P257-V262 HydrophobicContact CG-CG2 4.21Å
258Q83.4Confident93.5Very high213 Ų21359.7 Ų59.7100%0.99535%0.347SS*.THydrogen-bonded Turntrans-57.6-18-178-65.6-165.9-3.100114.6
259G77.3Confident93.4Very high85 Ų8558.4 Ų58.488%0.87634%0.34SS*.THydrogen-bonded Turntrans-86.2-3.5176.400000115.7P257P257-G259 PolarHBondContact O-N 3.45Å
260G89.4Confident93.2Very high28 Ų2856.8 Ų56.829%0.28933%0.325SS..  trans120.5175.5-177.500000113.5P257P257-G260 WeakPolarHBondContact CD-O 3.46Å; P257-G260 PolarHBondContact O-N 2.92Å
261P94.8Very high93.1Very high27 Ų2749.4 Ų49.418%0.17530%0.297CS..  trans-67.3144.7-178.430.9-37.8000112.3V203 F206 A207 L210V203-P261 HydrophobicContact CG1-CB 3.55Å; F206-P261 HydrophobicContact CD1-CG 3.99Å; F206-P261 HydrophobicContact CE1-CG 4.42Å; A207-P261 HydrophobicContact CB-CB 3.96Å; A207-P261 HydrophobicContact CB-CG 3.73Å; L210-P261 HydrophobicContact CD1-CG 4.09Å
262V93.8Very high92.8Very high43 Ų4350.6 Ų50.626%0.26131%0.306SS..  trans-69.6137.6178.7178.40000111.3L255 P257L255-V262 WeakPolarHBondContact O-CG2 3.48Å; L255-V262 PolarHBondContact O-N 3.01Å; P257-V262 HydrophobicContact CG-CG2 4.21Å
263L92.9Very high92.5Very high58 Ų5850.9 Ų50.930%0.30432%0.318SS..  trans-117.1110.3178.6-170.595000110.2A207 R208 R265A207-L263 HydrophobicContact CB-CB 4.24Å; A207-L263 HydrophobicContact CB-CD1 3.68Å; R208-L263 HydrophobicContact CB-CD1 4.29Å; R208-L263 HydrophobicContact CG-CD1 3.48Å; R208-L263 VanDerWaalsContact CG-CD1 3.48Å; L263-R265 HydrophobicContact CD2-CG 3.98Å; L263-R265 HydrophobicContact CG-CG 4.22Å
264C94.8Very high92.4Very high19 Ų1951.4 Ų51.413%0.12832%0.318CS..  trans-103.3121.8174-61.40000109.8R208 I232 H236R208-C264 PolarHBondContact NH2-O 3.42Å; I232-C264 HydrophobicContact CG1-CB 4.42Å; I232-C264 HydrophobicContact CG2-CB 4.41Å; H236-C264 PolarHBondContact CD2-SG 3.08Å
265R93.9Very high92.4Very high57 Ų5750.9 Ų50.922%0.21531%0.309CS..  trans-127.2133.7176.1-60.4-174.2-59.5-165.84.2108.9S213 I232 L263 E269 E270S213-R265 PolarHBondContact OG-NH1 3.27Å; I232-R265 WeakPolarHBondContact CD1-O 3.47Å; L263-R265 HydrophobicContact CD2-CG 3.98Å; L263-R265 HydrophobicContact CG-CG 4.22Å; R265-E269 HydrophobicContact CB-CB 4.35Å; R265-E269 HydrophobicContact CB-CG 4.48Å; R265-E269 HydrophobicContact CG-CG 4.27Å; R265-E270 HydrophobicContact CB-CB 4.38Å; R265-E270 IonicContact CZ-OE1 3.37Å; R265-E270 IonicContact NE-OE1 3.53Å; R265-E270 IonicContact NH2-OE1 3.54Å; R265-E270 PolarHBondContact NH2-OE1 2.64Å
266D95.6Very high92.3Very high7 Ų751.5 Ų51.54%0.03732%0.315CS..  trans-86173.1167.954.237.3000110.3R230 I232 M268 E269 E270R230-D266 IonicContact CZ-OD1 2.75Å; R230-D266 IonicContact CZ-OD2 3.81Å; R230-D266 IonicContact NE-OD1 2.67Å; R230-D266 PolarHBondContact NE-OD1 3.08Å; R230-D266 IonicContact NE-OD2 3.95Å; R230-D266 PolarHBondContact NE-OD2 3.49Å; R230-D266 VanDerWaalsContact NH2-CG 3.33Å; R230-D266 IonicContact NH2-OD1 3.82Å; R230-D266 PolarHBondContact NH2-OD1 3.22Å; R230-D266 IonicContact NH2-OD2 3.01Å; R230-D266 PolarHBondContact NH2-OD2 2.67Å; I232-D266 HydrophobicContact CB-CB 4.33Å; I232-D266 HydrophobicContact CD1-CB 4.09Å; I232-D266 HydrophobicContact CG2-CB 4.11Å; D266-M268 PolarHBondContact O-N 3.37Å; D266-M268 VanDerWaalsContact O-N 3.12Å; D266-M268 WeakPolarHBondContact OD1-CB 3.47Å; D266-M268 PolarHBondContact OD1-N 2.97Å; D266-E269 PolarHBondContact O-N 2.97Å; D266-E269 VanDerWaalsContact O-N 3.08Å; D266-E269 PolarHBondContact OD1-N 3.27Å; D266-E270 WeakPolarHBondContact O-CB 3.48Å; D266-E270 PolarHBondContact O-N 2.85Å
267E96.4Very high92.3Very high35 Ų3552 Ų5216%0.16432%0.315CS..Hα-helixtrans-56.6-32.7-177.3-66-68.7173.600112.2E269 E270 W271 S305 E308 Y309E267-E269 VanDerWaalsContact C-N 3.33Å; E267-E269 PolarHBondContact O-N 2.92Å; E267-E270 PolarHBondContact O-N 3.1Å; E267-W271 PolarHBondContact O-N 2.99Å; E267-W271 VanDerWaalsContact OE2-CD1 3.29Å; E267-W271 PolarHBondContact OE2-NE1 3.26Å; E267-S305 WeakPolarHBondContact OE1-CB 3.32Å; E267-E308 HydrophobicContact CB-CG 4.39Å; E267-E308 HydrophobicContact CG-CB 4.15Å; E267-E308 HydrophobicContact CG-CG 4.17Å; E267-Y309 HydrophobicContact CB-CD2 4.48Å; E267-Y309 WeakPolarHBondContact O-CD2 3.19Å
268M93.7Very high92.5Very high51 Ų5151.4 Ų51.425%0.25131%0.308SS..Hα-helixtrans-61.4-40.5179.3-175.863.3-158.600112.6D266 Y309 M312 W313 T316D266-M268 PolarHBondContact O-N 3.37Å; D266-M268 VanDerWaalsContact O-N 3.12Å; D266-M268 WeakPolarHBondContact OD1-CB 3.47Å; D266-M268 PolarHBondContact OD1-N 2.97Å; M268-Y309 HydrophobicContact SD-CE2 3.98Å; M268-M312 HydrophobicContact CB-CB 3.7Å; M268-M312 HydrophobicContact CB-CG 4.28Å; M268-M312 HydrophobicContact CG-CB 4.09Å; M268-M312 HydrophobicContact SD-CB 4.23Å; M268-W313 HydrophobicContact SD-CB 4.18Å; M268-T316 HydrophobicContact CE-CG2 3.33Å; M268-T316 HydrophobicContact SD-CG2 4.32Å
269E91.8Very high93.2Very high16 Ų1641.2 Ų41.28%0.07526%0.261CS..Hα-helixtrans-85.3-35.6178.8-175.1-179.1179.800112.6R208 R217 R265 D266 E267 W271R208-E269 WeakPolarHBondContact CD-OE1 3.23Å; R208-E269 IonicContact CZ-OE1 3.05Å; R208-E269 IonicContact CZ-OE2 3.44Å; R208-E269 IonicContact NE-OE1 2.78Å; R208-E269 PolarHBondContact NE-OE1 3.39Å; R208-E269 IonicContact NE-OE2 2.64Å; R208-E269 PolarHBondContact NE-OE2 3.45Å; R208-E269 IonicContact NH2-OE1 2.65Å; R208-E269 IonicContact NH2-OE2 3.28Å; R208-E269 PolarHBondContact NH2-OE2 3.03Å; R217-E269 PolarHBondContact NH1-O 3.29Å; R265-E269 HydrophobicContact CB-CB 4.35Å; R265-E269 HydrophobicContact CB-CG 4.48Å; R265-E269 HydrophobicContact CG-CG 4.27Å; D266-E269 PolarHBondContact O-N 2.97Å; D266-E269 VanDerWaalsContact O-N 3.08Å; D266-E269 PolarHBondContact OD1-N 3.27Å; E267-E269 VanDerWaalsContact C-N 3.33Å; E267-E269 PolarHBondContact O-N 2.92Å; E269-W271 VanDerWaalsContact C-N 3.34Å; E269-W271 PolarHBondContact O-N 3.33Å
270E92.4Very high94Very high76 Ų7638.9 Ų38.936%0.35523%0.227SC..Hα-helixtrans-69.9-29.7-174-178.8150.3-115.400113.3R217 R265 D266 E267R217-E270 VanDerWaalsContact NH1-C 3.31Å; R217-E270 PolarHBondContact NH1-O 3.12Å; R265-E270 HydrophobicContact CB-CB 4.38Å; R265-E270 IonicContact CZ-OE1 3.37Å; R265-E270 IonicContact NE-OE1 3.53Å; R265-E270 IonicContact NH2-OE1 3.54Å; R265-E270 PolarHBondContact NH2-OE1 2.64Å; D266-E270 WeakPolarHBondContact O-CB 3.48Å; D266-E270 PolarHBondContact O-N 2.85Å; E267-E270 PolarHBondContact O-N 3.1Å
271W93.6Very high94.3Very high10 Ų1042.9 Ų42.94%0.03824%0.238CC..SBendtrans-66.8137.1-179.5-7638.7000112.6R217 E267 E269 E275 F279 L298 K301 I306 Y309R217-W271 VanDerWaalsContact NH1-C 3.26Å; R217-W271 PolarHBondContact NH1-O 3.31Å; E267-W271 PolarHBondContact O-N 2.99Å; E267-W271 VanDerWaalsContact OE2-CD1 3.29Å; E267-W271 PolarHBondContact OE2-NE1 3.26Å; E269-W271 VanDerWaalsContact C-N 3.34Å; E269-W271 PolarHBondContact O-N 3.33Å; W271-E275 HydrophobicContact CB-CB 4.46Å; W271-E275 HydrophobicContact CD2-CB 4.36Å; W271-E275 HydrophobicContact CE3-CB 3.81Å; W271-F279 HydrophobicContact CH2-CD2 4.24Å; W271-F279 HydrophobicContact CZ3-CB 3.91Å; W271-F279 HydrophobicContact CZ3-CD2 4.17Å; W271-F279 HydrophobicContact CZ3-CG 4.21Å; W271-L298 HydrophobicContact CH2-CD1 3.66Å; W271-L298 HydrophobicContact CZ3-CD1 3.52Å; W271-K301 VanDerWaalsContact CD1-NZ 3.31Å; W271-K301 HydrophobicContact CH2-CG 4.5Å; W271-K301 HydrophobicContact CZ2-CD 4.11Å; W271-K301 HydrophobicContact CZ2-CG 4.16Å; W271-I306 HydrophobicContact CH2-CB 4.44Å; W271-I306 HydrophobicContact CH2-CG1 3.92Å; W271-I306 HydrophobicContact CZ2-CG1 4.08Å; W271-Y309 HydrophobicContact CB-CD2 4.16Å; W271-Y309 HydrophobicContact CB-CE2 3.77Å; W271-Y309 AromaticContact CD1-CD2 3.97Å; W271-Y309 HydrophobicContact CD2-CD1 4.31Å; W271-Y309 AromaticContact CD2-CD2 3.46Å; W271-Y309 HydrophobicContact CD2-CD2 3.46Å; W271-Y309 VanDerWaalsContact CD2-CD2 3.46Å; W271-Y309 AromaticContact CD2-CE2 3.75Å; W271-Y309 HydrophobicContact CD2-CE2 3.75Å; W271-Y309 AromaticContact CD2-CG 3.79Å; W271-Y309 HydrophobicContact CD2-CG 3.79Å; W271-Y309 AromaticContact CE2-CD2 3.71Å; W271-Y309 AromaticContact CE2-CG 3.73Å; W271-Y309 AromaticContact CE3-CD1 3.95Å; W271-Y309 HydrophobicContact CE3-CD1 3.95Å; W271-Y309 AromaticContact CE3-CD2 3.85Å; W271-Y309 HydrophobicContact CE3-CD2 3.85Å; W271-Y309 AromaticContact CE3-CE1 3.96Å; W271-Y309 HydrophobicContact CE3-CE1 3.96Å; W271-Y309 AromaticContact CE3-CE2 3.87Å; W271-Y309 HydrophobicContact CE3-CE2 3.87Å; W271-Y309 AromaticContact CE3-CG 3.9Å; W271-Y309 HydrophobicContact CE3-CG 3.9Å; W271-Y309 AromaticContact CE3-CZ 3.92Å; W271-Y309 AromaticContact CG-CD2 3.64Å; W271-Y309 HydrophobicContact CG-CD2 3.64Å; W271-Y309 AromaticContact CG-CE2 3.75Å; W271-Y309 HydrophobicContact CG-CE2 3.75Å; W271-Y309 HydrophobicContact CG-CG 4.41Å; W271-Y309 AromaticContact CH2-CD1 3.93Å; W271-Y309 HydrophobicContact CH2-CD1 3.93Å; W271-Y309 AromaticContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CZ2-CD1 4.31Å; W271-Y309 HydrophobicContact CZ2-CD2 4.26Å; W271-Y309 AromaticContact CZ2-CG 3.8Å; W271-Y309 HydrophobicContact CZ2-CG 3.8Å; W271-Y309 AromaticContact CZ3-CD1 3.77Å; W271-Y309 HydrophobicContact CZ3-CD1 3.77Å; W271-Y309 HydrophobicContact CZ3-CD2 4.4Å; W271-Y309 HydrophobicContact CZ3-CE1 4.03Å; W271-Y309 AromaticContact CZ3-CG 3.97Å; W271-Y309 HydrophobicContact CZ3-CG 3.97Å
272S91.8Very high94.4Very high25 Ų2541.6 Ų41.618%0.17523%0.23CC..  trans-70.3159.817364.90000111.9S274 E275 A276S272-S274 PolarHBondContact O-N 3.01Å; S272-S274 PolarHBondContact OG-OG 2.99Å; S272-E275 WeakPolarHBondContact CB-OE2 3.49Å; S272-E275 PolarHBondContact N-OE2 3Å; S272-E275 PolarHBondContact O-N 2.81Å; S272-E275 VanDerWaalsContact O-N 3.16Å; S272-E275 WeakPolarHBondContact OG-CB 3.42Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.49Å; S272-E275 PolarHBondContact OG-OE2 3.4Å; S272-A276 PolarHBondContact O-N 3.37Å
273A90.1Very high94.5Very high74 Ų7440.9 Ų40.961%0.61222%0.224SC*.Hα-helixtrans-59.7-35177.900000112.8N277A273-N277 VanDerWaalsContact O-CG 3.27Å; A273-N277 PolarHBondContact O-N 2.65Å; A273-N277 VanDerWaalsContact O-N 3.09Å; A273-N277 PolarHBondContact O-ND2 3.36Å
274S93.8Very high94.5Very high75 Ų7545.7 Ų45.752%0.52425%0.245SC..Hα-helixtrans-70.6-38.1176.250.80000112.6S272 N277 L278S272-S274 PolarHBondContact O-N 3.01Å; S272-S274 PolarHBondContact OG-OG 2.99Å; S274-N277 PolarHBondContact O-N 2.78Å; S274-L278 WeakPolarHBondContact O-CG 3.3Å; S274-L278 PolarHBondContact O-N 2.93Å
275E96.6Very high94.6Very high26 Ų2651 Ų5112%0.12127%0.266CS..Hα-helixtrans-66.2-41.3175-71.1166.5135.600111.6W271 S272 N277 L278 F279 L298 W300 K301W271-E275 HydrophobicContact CB-CB 4.46Å; W271-E275 HydrophobicContact CD2-CB 4.36Å; W271-E275 HydrophobicContact CE3-CB 3.81Å; S272-E275 WeakPolarHBondContact CB-OE2 3.49Å; S272-E275 PolarHBondContact N-OE2 3Å; S272-E275 PolarHBondContact O-N 2.81Å; S272-E275 VanDerWaalsContact O-N 3.16Å; S272-E275 WeakPolarHBondContact OG-CB 3.42Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.49Å; S272-E275 PolarHBondContact OG-OE2 3.4Å; E275-N277 VanDerWaalsContact C-N 3.33Å; E275-N277 PolarHBondContact O-N 2.99Å; E275-L278 PolarHBondContact O-N 2.81Å; E275-F279 WeakPolarHBondContact O-CB 3.42Å; E275-F279 PolarHBondContact O-N 3.26Å; E275-L298 HydrophobicContact CB-CD2 4.15Å; E275-L298 HydrophobicContact CG-CD2 4.15Å; E275-W300 HydrophobicContact CG-CZ2 4.28Å; E275-W300 PolarHBondContact OE1-NE1 3.3Å; E275-K301 WeakPolarHBondContact OE1-CE 3.2Å; E275-K301 IonicContact OE1-NZ 2.67Å; E275-K301 IonicContact OE2-NZ 3.74Å
276A94.8Very high94.7Very high19 Ų1951.3 Ų51.316%0.15727%0.268CS..Hα-helixtrans-59.9-42.8174.100000111.9S272 F279 E280 Y309S272-A276 PolarHBondContact O-N 3.37Å; A276-F279 WeakPolarHBondContact O-CB 3.45Å; A276-F279 PolarHBondContact O-N 2.67Å; A276-E280 WeakPolarHBondContact O-CG 3.21Å; A276-E280 PolarHBondContact O-N 3.07Å; A276-E280 VanDerWaalsContact O-N 3.11Å; A276-Y309 VanDerWaalsContact CB-OH 3.25Å; A276-Y309 WeakPolarHBondContact CB-OH 3.15Å
277N95Very high94.6Very high84 Ų8452.5 Ų52.545%0.44928%0.282SS..Hα-helixtrans-65.7-45.8176.3-71.9-22.5000112.2A273 S274 E275 F279 E280 E281A273-N277 VanDerWaalsContact O-CG 3.27Å; A273-N277 PolarHBondContact O-N 2.65Å; A273-N277 VanDerWaalsContact O-N 3.09Å; A273-N277 PolarHBondContact O-ND2 3.36Å; S274-N277 PolarHBondContact O-N 2.78Å; E275-N277 VanDerWaalsContact C-N 3.33Å; E275-N277 PolarHBondContact O-N 2.99Å; N277-F279 PolarHBondContact O-N 3.02Å; N277-E280 PolarHBondContact O-N 3.01Å; N277-E280 VanDerWaalsContact O-N 3.17Å; N277-E281 WeakPolarHBondContact O-CG 3.43Å; N277-E281 PolarHBondContact O-N 2.77Å
278L97.7Very high94.6Very high51 Ų5157.6 Ų57.627%0.26730%0.303SS..Hα-helixtrans-57.1-39.7175.4-76.7170.4000111.4S274 E275 A282 F297 L298 W300S274-L278 WeakPolarHBondContact O-CG 3.3Å; S274-L278 PolarHBondContact O-N 2.93Å; E275-L278 PolarHBondContact O-N 2.81Å; L278-A282 VanDerWaalsContact O-CB 3.23Å; L278-A282 WeakPolarHBondContact O-CB 3.39Å; L278-A282 PolarHBondContact O-N 3.44Å; L278-F297 HydrophobicContact CD2-CD1 4.04Å; L278-F297 WeakPolarHBondContact O-CD1 3.48Å; L278-L298 HydrophobicContact CB-CD2 4.16Å; L278-L298 HydrophobicContact CB-CG 4.48Å; L278-L298 HydrophobicContact CD1-CD2 4.27Å; L278-W300 HydrophobicContact CD1-CH2 4.03Å; L278-W300 HydrophobicContact CD1-CZ2 4.19Å
279F97.6Very high94.8Very high0 Ų058.2 Ų58.20%031%0.308CS..Hα-helixtrans-62.9-45.7176.2-178.5-101.8000113W271 E275 A276 N277 A282 L283 I293 L298 I306 Y309 Y310 W313W271-F279 HydrophobicContact CH2-CD2 4.24Å; W271-F279 HydrophobicContact CZ3-CB 3.91Å; W271-F279 HydrophobicContact CZ3-CD2 4.17Å; W271-F279 HydrophobicContact CZ3-CG 4.21Å; E275-F279 WeakPolarHBondContact O-CB 3.42Å; E275-F279 PolarHBondContact O-N 3.26Å; A276-F279 WeakPolarHBondContact O-CB 3.45Å; A276-F279 PolarHBondContact O-N 2.67Å; N277-F279 PolarHBondContact O-N 3.02Å; F279-A282 PolarHBondContact O-N 2.95Å; F279-L283 HydrophobicContact CE1-CD1 4.39Å; F279-L283 HydrophobicContact CE1-CD2 4.41Å; F279-L283 HydrophobicContact CZ-CD1 3.99Å; F279-L283 VanDerWaalsContact O-CB 3.27Å; F279-L283 WeakPolarHBondContact O-CB 3.38Å; F279-L283 PolarHBondContact O-N 3.41Å; F279-I293 HydrophobicContact CD2-CG2 4.27Å; F279-L298 HydrophobicContact CB-CD1 4.1Å; F279-L298 HydrophobicContact CD2-CD1 4.19Å; F279-I306 HydrophobicContact CD2-CG2 4.28Å; F279-I306 HydrophobicContact CE2-CG2 3.83Å; F279-Y309 HydrophobicContact CB-CE1 4.31Å; F279-Y309 AromaticContact CD1-CD1 3.9Å; F279-Y309 HydrophobicContact CD1-CD1 3.9Å; F279-Y309 AromaticContact CD1-CE1 3.59Å; F279-Y309 HydrophobicContact CD1-CE1 3.59Å; F279-Y309 HydrophobicContact CD2-CD1 4.27Å; F279-Y309 AromaticContact CE1-CD1 4Å; F279-Y309 HydrophobicContact CE1-CD1 4Å; F279-Y309 HydrophobicContact CE1-CE1 4.02Å; F279-Y309 HydrophobicContact CE2-CD1 4.37Å; F279-Y309 HydrophobicContact CG-CD1 4.03Å; F279-Y309 AromaticContact CG-CE1 3.91Å; F279-Y309 HydrophobicContact CG-CE1 3.91Å; F279-Y309 HydrophobicContact CZ-CD1 4.24Å; F279-Y310 HydrophobicContact CE1-CD2 4.41Å; F279-Y310 AromaticContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CG 4.32Å; F279-W313 HydrophobicContact CE1-CD2 4.12Å; F279-W313 HydrophobicContact CE1-CE3 4.07Å; F279-W313 HydrophobicContact CE1-CG 4.38Å
280E94.6Very high95.1Very high36 Ų3659 Ų5917%0.16831%0.311CS..Hα-helixtrans-63.7-42.3179.2-70.2-170.7-175.900111.9A276 N277 L283 E284 W313 R318A276-E280 WeakPolarHBondContact O-CG 3.21Å; A276-E280 PolarHBondContact O-N 3.07Å; A276-E280 VanDerWaalsContact O-N 3.11Å; N277-E280 PolarHBondContact O-N 3.01Å; N277-E280 VanDerWaalsContact O-N 3.17Å; E280-L283 PolarHBondContact O-N 3.49Å; E280-E284 PolarHBondContact O-N 2.9Å; E280-W313 HydrophobicContact CG-CZ2 3.74Å; E280-W313 PolarHBondContact OE1-NE1 2.98Å; E280-R318 VanDerWaalsContact CD-NE 3.3Å; E280-R318 WeakPolarHBondContact OE1-CD 3.3Å; E280-R318 IonicContact OE1-CZ 3.13Å; E280-R318 IonicContact OE1-NE 2.69Å; E280-R318 PolarHBondContact OE1-NE 3.02Å; E280-R318 IonicContact OE2-CZ 3.28Å; E280-R318 IonicContact OE2-NE 3.93Å; E280-R318 PolarHBondContact OE2-NE 3.24Å; E280-R318 IonicContact OE2-NH2 2.94Å; E280-R318 PolarHBondContact OE2-NH2 3.32Å
281E95.7Very high95.4Very high112 Ų11258.9 Ų58.952%0.52332%0.316SS..Hα-helixtrans-61.4-44.8174.1-70.2179.2-158.300111.6N277 E284 K285 F297N277-E281 WeakPolarHBondContact O-CG 3.43Å; N277-E281 PolarHBondContact O-N 2.77Å; E281-E284 PolarHBondContact O-N 3.19Å; E281-K285 WeakPolarHBondContact O-CB 3.39Å; E281-K285 PolarHBondContact O-N 3.07Å; E281-F297 HydrophobicContact CB-CE1 3.9Å
282A97.3Very high95.6Very high0 Ų061.4 Ų61.40%033%0.33CS..Hα-helixtrans-65.1-41.4178.800000111.9L278 F279 E284 K285 Y286 I293 F297L278-A282 VanDerWaalsContact O-CB 3.23Å; L278-A282 WeakPolarHBondContact O-CB 3.39Å; L278-A282 PolarHBondContact O-N 3.44Å; F279-A282 PolarHBondContact O-N 2.95Å; A282-E284 VanDerWaalsContact C-N 3.33Å; A282-E284 PolarHBondContact O-N 2.82Å; A282-K285 PolarHBondContact O-N 3.44Å; A282-Y286 PolarHBondContact O-N 3.13Å; A282-I293 HydrophobicContact CB-CB 4.1Å; A282-I293 HydrophobicContact CB-CD1 4.49Å; A282-I293 HydrophobicContact CB-CG1 3.76Å; A282-I293 HydrophobicContact CB-CG2 3.65Å; A282-F297 HydrophobicContact CB-CB 3.74Å; A282-F297 HydrophobicContact CB-CD1 3.75Å; A282-F297 HydrophobicContact CB-CD2 3.5Å; A282-F297 VanDerWaalsContact CB-CD2 3.5Å; A282-F297 HydrophobicContact CB-CE1 4.17Å; A282-F297 HydrophobicContact CB-CE2 3.95Å; A282-F297 HydrophobicContact CB-CG 3.39Å; A282-F297 HydrophobicContact CB-CZ 4.26Å
283L95.3Very high95.9Very high28 Ų2860.2 Ų60.215%0.14732%0.321CS..Hα-helixtrans-66.8-34.8178.5-163.285.5000111.6F279 E280 G287 F290 I293 Y310 W313F279-L283 HydrophobicContact CE1-CD1 4.39Å; F279-L283 HydrophobicContact CE1-CD2 4.41Å; F279-L283 HydrophobicContact CZ-CD1 3.99Å; F279-L283 VanDerWaalsContact O-CB 3.27Å; F279-L283 WeakPolarHBondContact O-CB 3.38Å; F279-L283 PolarHBondContact O-N 3.41Å; E280-L283 PolarHBondContact O-N 3.49Å; L283-G287 WeakPolarHBondContact CD1-O 3.49Å; L283-G287 WeakPolarHBondContact O-CA 3.46Å; L283-G287 PolarHBondContact O-N 3.33Å; L283-F290 HydrophobicContact CD1-CE1 4.28Å; L283-I293 HydrophobicContact CD1-CD1 4.11Å; L283-Y310 HydrophobicContact CD1-CD2 4.08Å; L283-Y310 HydrophobicContact CD1-CE2 4.02Å; L283-Y310 HydrophobicContact CD2-CE2 4.44Å; L283-W313 HydrophobicContact CD2-CE3 4.4Å; L283-W313 HydrophobicContact CD2-CH2 3.66Å; L283-W313 HydrophobicContact CD2-CZ3 3.45Å; L283-W313 VanDerWaalsContact CD2-CZ3 3.45Å
284E92.4Very high96.3Very high159 Ų15959 Ų5974%0.74330%0.303SS*.Hα-helixtrans-69.1-39.6173.2-174.5165.5-158.200111.9E280 E281 A282E280-E284 PolarHBondContact O-N 2.9Å; E281-E284 PolarHBondContact O-N 3.19Å; A282-E284 VanDerWaalsContact C-N 3.33Å; A282-E284 PolarHBondContact O-N 2.82Å
285K96Very high96.5Very high131 Ų13162 Ų6257%0.5731%0.309SS*.Hα-helixtrans-76.5-46.6-177.9-169.5-174.4-179.6-164.80113.7E281 A282 F297E281-K285 WeakPolarHBondContact O-CB 3.39Å; E281-K285 PolarHBondContact O-N 3.07Å; A282-K285 PolarHBondContact O-N 3.44Å; K285-F297 HydrophobicContact CD-CE2 3.89Å; K285-F297 HydrophobicContact CD-CZ 3.82Å
286Y96.3Very high96.5Very high63 Ų6365.1 Ų65.125%0.24733%0.326CS..Hα-helixtrans-108.4-3.4-172.3-60.9-40.2000113.6A282 K288 D292 I293 D296 F297A282-Y286 PolarHBondContact O-N 3.13Å; Y286-K288 PolarHBondContact O-N 2.97Å; Y286-D292 HydrophobicContact CD2-CB 3.97Å; Y286-D292 HydrophobicContact CE2-CB 4.3Å; Y286-D292 HydrophobicContact CG-CB 4.21Å; Y286-I293 HydrophobicContact CD2-CG1 4.31Å; Y286-D296 HydrophobicContact CE2-CB 3.92Å; Y286-D296 WeakPolarHBondContact CE2-OD2 3.41Å; Y286-D296 VanDerWaalsContact CZ-OD2 3.29Å; Y286-D296 PolarHBondContact OH-OD2 3.19Å; Y286-F297 HydrophobicContact CD2-CD2 4.29Å; Y286-F297 HydrophobicContact CD2-CE2 4.05Å; Y286-F297 AromaticContact CE2-CD2 3.87Å; Y286-F297 HydrophobicContact CE2-CD2 3.87Å; Y286-F297 AromaticContact CE2-CE2 3.52Å; Y286-F297 HydrophobicContact CE2-CE2 3.52Å
287G94.4Very high96.7Very high32 Ų3265.8 Ų65.833%0.3333%0.326SS..THydrogen-bonded Turntrans70.3-122.8-177.400000111L283L283-G287 WeakPolarHBondContact CD1-O 3.49Å; L283-G287 WeakPolarHBondContact O-CA 3.46Å; L283-G287 PolarHBondContact O-N 3.33Å
288K96.8Very high96.8Very high142 Ų14261.8 Ų61.862%0.61730%0.304SS*.THydrogen-bonded Turntrans-109.724.8-178-54.5-179.8-167.7-177.60112.3Y286 F290 Y310Y286-K288 PolarHBondContact O-N 2.97Å; K288-F290 VanDerWaalsContact C-N 3.34Å; K288-F290 HydrophobicContact CB-CE2 4.02Å; K288-F290 HydrophobicContact CB-CZ 4.06Å; K288-F290 WeakPolarHBondContact O-CD2 3.33Å; K288-F290 WeakPolarHBondContact O-CE2 3.19Å; K288-F290 PolarHBondContact O-N 3.43Å; K288-F290 VanDerWaalsContact O-N 3.16Å; K288-Y310 WeakPolarHBondContact CD-OH 3.47Å; K288-Y310 WeakPolarHBondContact CE-OH 3.48Å; K288-Y310 PolarHBondContact NZ-OH 3.42Å
289D97.4Very high96.9Very high64 Ų6463.1 Ų63.134%0.34232%0.316SS..  trans-81.185.4171-163.4-40.5000109T291 D292 I293D289-T291 PolarHBondContact O-N 2.92Å; D289-T291 PolarHBondContact OD1-N 3.17Å; D289-T291 PolarHBondContact OD1-OG1 3.48Å; D289-D292 HydrophobicContact CB-CB 4.27Å; D289-D292 PolarHBondContact O-N 3.36Å; D289-D292 PolarHBondContact OD1-N 3.04Å; D289-D292 VanDerWaalsContact OD1-N 3.09Å; D289-I293 VanDerWaalsContact O-CG1 3.22Å; D289-I293 WeakPolarHBondContact O-CG1 3.43Å; D289-I293 PolarHBondContact O-N 3.2Å
290F97.9Very high96.9Very high31 Ų3170.5 Ų70.514%0.13634%0.344CS..Hα-helixtrans-69.6-21.9-174.6-58.6-72000113.1L283 K288 I293 Q294 L303 I306 I307 Y310L283-F290 HydrophobicContact CD1-CE1 4.28Å; K288-F290 VanDerWaalsContact C-N 3.34Å; K288-F290 HydrophobicContact CB-CE2 4.02Å; K288-F290 HydrophobicContact CB-CZ 4.06Å; K288-F290 WeakPolarHBondContact O-CD2 3.33Å; K288-F290 WeakPolarHBondContact O-CE2 3.19Å; K288-F290 PolarHBondContact O-N 3.43Å; K288-F290 VanDerWaalsContact O-N 3.16Å; F290-I293 HydrophobicContact CD1-CD1 4.09Å; F290-Q294 WeakPolarHBondContact O-CB 3.43Å; F290-Q294 PolarHBondContact O-N 2.98Å; F290-L303 HydrophobicContact CB-CD1 3.64Å; F290-L303 WeakPolarHBondContact O-CD1 3.38Å; F290-I306 HydrophobicContact CD1-CG2 3.99Å; F290-I307 HydrophobicContact CB-CD1 3.66Å; F290-I307 HydrophobicContact CD1-CD1 3.91Å; F290-I307 HydrophobicContact CD2-CD1 3.09Å; F290-I307 HydrophobicContact CE1-CD1 4.32Å; F290-I307 HydrophobicContact CE2-CD1 3.57Å; F290-I307 HydrophobicContact CG-CD1 3.26Å; F290-I307 HydrophobicContact CZ-CD1 4.16Å; F290-Y310 HydrophobicContact CE1-CD1 4.11Å; F290-Y310 AromaticContact CE1-CD2 3.86Å; F290-Y310 HydrophobicContact CE1-CD2 3.86Å; F290-Y310 HydrophobicContact CE1-CE2 4.4Å; F290-Y310 AromaticContact CE1-CG 3.66Å; F290-Y310 HydrophobicContact CE1-CG 3.66Å; F290-Y310 HydrophobicContact CE2-CD1 4.44Å; F290-Y310 AromaticContact CZ-CD1 3.52Å; F290-Y310 HydrophobicContact CZ-CD1 3.52Å; F290-Y310 AromaticContact CZ-CD2 3.91Å; F290-Y310 HydrophobicContact CZ-CD2 3.91Å; F290-Y310 AromaticContact CZ-CE1 3.77Å; F290-Y310 HydrophobicContact CZ-CE1 3.77Å; F290-Y310 HydrophobicContact CZ-CE2 4.12Å; F290-Y310 AromaticContact CZ-CG 3.57Å; F290-Y310 HydrophobicContact CZ-CG 3.57Å
291T97.8Very high97.1Very high75 Ų7570.2 Ų70.246%0.4634%0.342SS..Hα-helixtrans-67.6-47173.430.40000111.3D289 Q294 Q295 L303D289-T291 PolarHBondContact O-N 2.92Å; D289-T291 PolarHBondContact OD1-N 3.17Å; D289-T291 PolarHBondContact OD1-OG1 3.48Å; T291-Q294 PolarHBondContact O-N 3.23Å; T291-Q295 WeakPolarHBondContact O-CB 3.41Å; T291-Q295 PolarHBondContact O-N 3.49Å; T291-L303 HydrophobicContact CG2-CD1 4.42Å; T291-L303 HydrophobicContact CG2-CD2 4.05Å
292D98.1Very high97.2Very high63 Ų6367.5 Ų67.534%0.33734%0.336SS..Hα-helixtrans-69.9-36.9176.9-75.14.4000111.6Y286 D289 Q294 Q295 D296Y286-D292 HydrophobicContact CD2-CB 3.97Å; Y286-D292 HydrophobicContact CE2-CB 4.3Å; Y286-D292 HydrophobicContact CG-CB 4.21Å; D289-D292 HydrophobicContact CB-CB 4.27Å; D289-D292 PolarHBondContact O-N 3.36Å; D289-D292 PolarHBondContact OD1-N 3.04Å; D289-D292 VanDerWaalsContact OD1-N 3.09Å; D292-Q294 VanDerWaalsContact C-N 3.35Å; D292-Q294 PolarHBondContact O-N 3.47Å; D292-Q295 PolarHBondContact O-N 3.25Å; D292-D296 WeakPolarHBondContact O-CB 3.44Å; D292-D296 PolarHBondContact O-N 2.75Å
293I98.3Very high97.2Very high0 Ų070.6 Ų70.60%035%0.352CS..Hα-helixtrans-59-46.7172.8-68.8169.4000110.7F279 A282 L283 Y286 D289 F290 F297 L298 I306F279-I293 HydrophobicContact CD2-CG2 4.27Å; A282-I293 HydrophobicContact CB-CB 4.1Å; A282-I293 HydrophobicContact CB-CD1 4.49Å; A282-I293 HydrophobicContact CB-CG1 3.76Å; A282-I293 HydrophobicContact CB-CG2 3.65Å; L283-I293 HydrophobicContact CD1-CD1 4.11Å; Y286-I293 HydrophobicContact CD2-CG1 4.31Å; D289-I293 VanDerWaalsContact O-CG1 3.22Å; D289-I293 WeakPolarHBondContact O-CG1 3.43Å; D289-I293 PolarHBondContact O-N 3.2Å; F290-I293 HydrophobicContact CD1-CD1 4.09Å; I293-F297 WeakPolarHBondContact O-CB 3.22Å; I293-F297 PolarHBondContact O-N 3.44Å; I293-L298 HydrophobicContact CG2-CD1 4.41Å; I293-L298 PolarHBondContact O-N 3.45Å; I293-L298 VanDerWaalsContact O-N 3.15Å; I293-I306 HydrophobicContact CG2-CG2 4.46Å
294Q98.3Very high97.4Very high49 Ų4974.4 Ų74.423%0.22938%0.376CS..Hα-helixtrans-61.5-52.3176.3-173.4-170.224.500110.4F290 T291 D292 D296 L298 P299 K301 I306F290-Q294 WeakPolarHBondContact O-CB 3.43Å; F290-Q294 PolarHBondContact O-N 2.98Å; T291-Q294 PolarHBondContact O-N 3.23Å; D292-Q294 VanDerWaalsContact C-N 3.35Å; D292-Q294 PolarHBondContact O-N 3.47Å; Q294-D296 PolarHBondContact O-N 3.42Å; Q294-L298 CarbonylContact O-C 3.53Å; Q294-L298 PolarHBondContact O-N 2.95Å; Q294-P299 WeakPolarHBondContact O-CA 3.42Å; Q294-P299 WeakPolarHBondContact O-CD 3.45Å; Q294-K301 PolarHBondContact NE2-O 3.06Å; Q294-I306 HydrophobicContact CB-CD1 3.53Å; Q294-I306 HydrophobicContact CG-CD1 3.67Å
295Q97.9Very high97.7Very high138 Ų13867.1 Ų67.165%0.64534%0.343SS*.Hα-helixtrans-61.1-43.7-172.7-176.3175.7-2.800113T291 D292T291-Q295 WeakPolarHBondContact O-CB 3.41Å; T291-Q295 PolarHBondContact O-N 3.49Å; D292-Q295 PolarHBondContact O-N 3.25Å
296D98.1Very high97.8Very high91 Ų9160.9 Ų60.949%0.48732%0.316SS..Hα-helixtrans-97.2-29.9-170.1-75.3-1.1000114Y286 D292 Q294Y286-D296 HydrophobicContact CE2-CB 3.92Å; Y286-D296 WeakPolarHBondContact CE2-OD2 3.41Å; Y286-D296 VanDerWaalsContact CZ-OD2 3.29Å; Y286-D296 PolarHBondContact OH-OD2 3.19Å; D292-D296 WeakPolarHBondContact O-CB 3.44Å; D292-D296 PolarHBondContact O-N 2.75Å; Q294-D296 PolarHBondContact O-N 3.42Å
297F98.1Very high97.9Very high32 Ų3260.3 Ų60.314%0.1432%0.317CS..THydrogen-bonded Turntrans-113.9-36.9-173.6-74.8-103.4000113.6L278 E281 A282 K285 Y286 I293 P299L278-F297 HydrophobicContact CD2-CD1 4.04Å; L278-F297 WeakPolarHBondContact O-CD1 3.48Å; E281-F297 HydrophobicContact CB-CE1 3.9Å; A282-F297 HydrophobicContact CB-CB 3.74Å; A282-F297 HydrophobicContact CB-CD1 3.75Å; A282-F297 HydrophobicContact CB-CD2 3.5Å; A282-F297 VanDerWaalsContact CB-CD2 3.5Å; A282-F297 HydrophobicContact CB-CE1 4.17Å; A282-F297 HydrophobicContact CB-CE2 3.95Å; A282-F297 HydrophobicContact CB-CG 3.39Å; A282-F297 HydrophobicContact CB-CZ 4.26Å; K285-F297 HydrophobicContact CD-CE2 3.89Å; K285-F297 HydrophobicContact CD-CZ 3.82Å; Y286-F297 HydrophobicContact CD2-CD2 4.29Å; Y286-F297 HydrophobicContact CD2-CE2 4.05Å; Y286-F297 AromaticContact CE2-CD2 3.87Å; Y286-F297 HydrophobicContact CE2-CD2 3.87Å; Y286-F297 AromaticContact CE2-CE2 3.52Å; Y286-F297 HydrophobicContact CE2-CE2 3.52Å; I293-F297 WeakPolarHBondContact O-CB 3.22Å; I293-F297 PolarHBondContact O-N 3.44Å; F297-P299 VanDerWaalsContact C-CD 3.47Å
298L98Very high98Very high0 Ų062.8 Ų62.80%032%0.32CS..  trans-133.855.8-173.2-66.6164.4000112.8W271 E275 L278 F279 I293 Q294 W300 K301 I306W271-L298 HydrophobicContact CH2-CD1 3.66Å; W271-L298 HydrophobicContact CZ3-CD1 3.52Å; E275-L298 HydrophobicContact CB-CD2 4.15Å; E275-L298 HydrophobicContact CG-CD2 4.15Å; L278-L298 HydrophobicContact CB-CD2 4.16Å; L278-L298 HydrophobicContact CB-CG 4.48Å; L278-L298 HydrophobicContact CD1-CD2 4.27Å; F279-L298 HydrophobicContact CB-CD1 4.1Å; F279-L298 HydrophobicContact CD2-CD1 4.19Å; I293-L298 HydrophobicContact CG2-CD1 4.41Å; I293-L298 PolarHBondContact O-N 3.45Å; I293-L298 VanDerWaalsContact O-N 3.15Å; Q294-L298 CarbonylContact O-C 3.53Å; Q294-L298 PolarHBondContact O-N 2.95Å; L298-W300 HydrophobicContact CD2-CZ2 3.86Å; L298-W300 PolarHBondContact O-N 3.07Å; L298-W300 VanDerWaalsContact O-N 3.15Å; L298-K301 HydrophobicContact CB-CB 4.32Å; L298-K301 HydrophobicContact CB-CG 4.34Å; L298-K301 PolarHBondContact O-N 3.14Å; L298-K301 VanDerWaalsContact O-N 3.08Å; L298-I306 HydrophobicContact CB-CD1 4.29Å
299P98.1Very high98.1Very high80 Ų8056.5 Ų56.552%0.51929%0.292SS..THydrogen-bonded Turntrans-69.9-15.6-170.826.1-35.7000114.1Q294 F297Q294-P299 WeakPolarHBondContact O-CA 3.42Å; Q294-P299 WeakPolarHBondContact O-CD 3.45Å; F297-P299 VanDerWaalsContact C-CD 3.47Å
300W98.1Very high98.1Very high154 Ų15453.8 Ų53.858%0.58328%0.277SS*.THydrogen-bonded Turntrans-88.3-10.617657.686.3000113.6E275 L278 L298E275-W300 HydrophobicContact CG-CZ2 4.28Å; E275-W300 PolarHBondContact OE1-NE1 3.3Å; L278-W300 HydrophobicContact CD1-CH2 4.03Å; L278-W300 HydrophobicContact CD1-CZ2 4.19Å; L298-W300 HydrophobicContact CD2-CZ2 3.86Å; L298-W300 PolarHBondContact O-N 3.07Å; L298-W300 VanDerWaalsContact O-N 3.15Å
301K98.2Very high98.1Very high30 Ų3059 Ų5913%0.1330%0.297CS..SBendtrans-88.9148.3173.7-69.2-72-179.6168.90109.6W271 E275 Q294 L298 I306W271-K301 VanDerWaalsContact CD1-NZ 3.31Å; W271-K301 HydrophobicContact CH2-CG 4.5Å; W271-K301 HydrophobicContact CZ2-CD 4.11Å; W271-K301 HydrophobicContact CZ2-CG 4.16Å; E275-K301 WeakPolarHBondContact OE1-CE 3.2Å; E275-K301 IonicContact OE1-NZ 2.67Å; E275-K301 IonicContact OE2-NZ 3.74Å; Q294-K301 PolarHBondContact NE2-O 3.06Å; L298-K301 HydrophobicContact CB-CB 4.32Å; L298-K301 HydrophobicContact CB-CG 4.34Å; L298-K301 PolarHBondContact O-N 3.14Å; L298-K301 VanDerWaalsContact O-N 3.08Å; K301-I306 HydrophobicContact CB-CD1 3.99Å; K301-I306 HydrophobicContact CB-CG1 3.84Å
302S98.2Very high98Very high55 Ų5558.3 Ų58.339%0.38529%0.289SS..  trans-73.2153171.175.80000110.4T304 S305 I306S302-T304 VanDerWaalsContact C-N 3.27Å; S302-T304 PolarHBondContact O-N 3.42Å; S302-T304 PolarHBondContact OG-OG1 2.96Å; S302-T304 VanDerWaalsContact OG-OG1 3.08Å; S302-S305 PolarHBondContact N-OG 3.37Å; S302-S305 VanDerWaalsContact N-OG 3.1Å; S302-S305 PolarHBondContact O-N 3.02Å; S302-S305 PolarHBondContact O-OG 3.23Å; S302-S305 VanDerWaalsContact OG-CB 3.26Å; S302-S305 WeakPolarHBondContact OG-CB 3.43Å; S302-S305 PolarHBondContact OG-N 3.14Å; S302-S305 PolarHBondContact OG-OG 3.23Å; S302-I306 VanDerWaalsContact O-CG1 3.32Å; S302-I306 WeakPolarHBondContact O-CG1 3.41Å; S302-I306 PolarHBondContact O-N 3.49Å; S302-I306 VanDerWaalsContact O-N 3.15Å
303L98.3Very high97.9Very high66 Ų6655.6 Ų55.635%0.34627%0.274SS..Hα-helixtrans-60.5-42.6176.2-177.461.2000110.5F290 T291 S305 I306 I307F290-L303 HydrophobicContact CB-CD1 3.64Å; F290-L303 WeakPolarHBondContact O-CD1 3.38Å; T291-L303 HydrophobicContact CG2-CD1 4.42Å; T291-L303 HydrophobicContact CG2-CD2 4.05Å; L303-S305 PolarHBondContact O-N 3.02Å; L303-I306 WeakPolarHBondContact O-CB 3.43Å; L303-I306 PolarHBondContact O-N 2.85Å; L303-I307 WeakPolarHBondContact O-CG1 3.06Å; L303-I307 PolarHBondContact O-N 3.18Å
304T98.4Very high97.7Very high107 Ų10758.8 Ų58.866%0.65629%0.288SS*.Hα-helixtrans-60.6-43.7179.246.80000112.4S302 I306 I307 E308S302-T304 VanDerWaalsContact C-N 3.27Å; S302-T304 PolarHBondContact O-N 3.42Å; S302-T304 PolarHBondContact OG-OG1 2.96Å; S302-T304 VanDerWaalsContact OG-OG1 3.08Å; T304-I306 VanDerWaalsContact C-N 3.32Å; T304-I306 PolarHBondContact O-N 2.94Å; T304-I307 PolarHBondContact O-N 3.06Å; T304-E308 PolarHBondContact O-N 3.35Å
305S98.2Very high97.4Very high6 Ų661.1 Ų61.14%0.04231%0.306CS..Hα-helixtrans-63.9-3617655.80000112.6E267 S302 L303 E308 Y309E267-S305 WeakPolarHBondContact OE1-CB 3.32Å; S302-S305 PolarHBondContact N-OG 3.37Å; S302-S305 VanDerWaalsContact N-OG 3.1Å; S302-S305 PolarHBondContact O-N 3.02Å; S302-S305 PolarHBondContact O-OG 3.23Å; S302-S305 VanDerWaalsContact OG-CB 3.26Å; S302-S305 WeakPolarHBondContact OG-CB 3.43Å; S302-S305 PolarHBondContact OG-N 3.14Å; S302-S305 PolarHBondContact OG-OG 3.23Å; L303-S305 PolarHBondContact O-N 3.02Å; S305-E308 PolarHBondContact O-N 3.32Å; S305-Y309 WeakPolarHBondContact O-CB 3.32Å; S305-Y309 PolarHBondContact O-N 3.39Å
306I98.4Very high97Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-65.9-40.7175.6-65.3165.8000110.6W271 F279 F290 I293 Q294 L298 K301 S302 L303 T304 Y310W271-I306 HydrophobicContact CH2-CB 4.44Å; W271-I306 HydrophobicContact CH2-CG1 3.92Å; W271-I306 HydrophobicContact CZ2-CG1 4.08Å; F279-I306 HydrophobicContact CD2-CG2 4.28Å; F279-I306 HydrophobicContact CE2-CG2 3.83Å; F290-I306 HydrophobicContact CD1-CG2 3.99Å; I293-I306 HydrophobicContact CG2-CG2 4.46Å; Q294-I306 HydrophobicContact CB-CD1 3.53Å; Q294-I306 HydrophobicContact CG-CD1 3.67Å; L298-I306 HydrophobicContact CB-CD1 4.29Å; K301-I306 HydrophobicContact CB-CD1 3.99Å; K301-I306 HydrophobicContact CB-CG1 3.84Å; S302-I306 VanDerWaalsContact O-CG1 3.32Å; S302-I306 WeakPolarHBondContact O-CG1 3.41Å; S302-I306 PolarHBondContact O-N 3.49Å; S302-I306 VanDerWaalsContact O-N 3.15Å; L303-I306 WeakPolarHBondContact O-CB 3.43Å; L303-I306 PolarHBondContact O-N 2.85Å; T304-I306 VanDerWaalsContact C-N 3.32Å; T304-I306 PolarHBondContact O-N 2.94Å; I306-Y310 WeakPolarHBondContact O-CB 3.46Å; I306-Y310 PolarHBondContact O-N 3.3Å
307I98.3Very high96.6Very high52 Ų5257.7 Ų57.727%0.26729%0.293SS..Hα-helixtrans-64.7-45.7176.5-61.9-57000111F290 L303 T304 Y310 Y311F290-I307 HydrophobicContact CB-CD1 3.66Å; F290-I307 HydrophobicContact CD1-CD1 3.91Å; F290-I307 HydrophobicContact CD2-CD1 3.09Å; F290-I307 HydrophobicContact CE1-CD1 4.32Å; F290-I307 HydrophobicContact CE2-CD1 3.57Å; F290-I307 HydrophobicContact CG-CD1 3.26Å; F290-I307 HydrophobicContact CZ-CD1 4.16Å; L303-I307 WeakPolarHBondContact O-CG1 3.06Å; L303-I307 PolarHBondContact O-N 3.18Å; T304-I307 PolarHBondContact O-N 3.06Å; I307-Y310 WeakPolarHBondContact O-CB 3.27Å; I307-Y310 PolarHBondContact O-N 2.78Å; I307-Y311 HydrophobicContact CG2-CD2 3.9Å; I307-Y311 HydrophobicContact CG2-CE2 3.74Å; I307-Y311 VanDerWaalsContact O-CD2 3.27Å; I307-Y311 WeakPolarHBondContact O-CD2 3.23Å; I307-Y311 PolarHBondContact O-N 3.41Å
308E98.2Very high95.9Very high84 Ų8463.5 Ų63.539%0.39331%0.314SS..Hα-helixtrans-59.3-50.1176.7-174-179.9142.200111E267 T304 S305 Y310 Y311 M312E267-E308 HydrophobicContact CB-CG 4.39Å; E267-E308 HydrophobicContact CG-CB 4.15Å; E267-E308 HydrophobicContact CG-CG 4.17Å; T304-E308 PolarHBondContact O-N 3.35Å; S305-E308 PolarHBondContact O-N 3.32Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 3.15Å; E308-Y311 PolarHBondContact O-N 2.85Å; E308-M312 WeakPolarHBondContact O-CG 3.39Å; E308-M312 PolarHBondContact O-N 3.47Å; E308-M312 VanDerWaalsContact O-N 3.15Å
309Y98Very high95.4Very high9 Ų965.4 Ų65.44%0.03532%0.322CS..Hα-helixtrans-54.2-46.4174.8-175.5-94.3000111.9E267 M268 W271 A276 F279 S305 Y311 M312 W313E267-Y309 HydrophobicContact CB-CD2 4.48Å; E267-Y309 WeakPolarHBondContact O-CD2 3.19Å; M268-Y309 HydrophobicContact SD-CE2 3.98Å; W271-Y309 HydrophobicContact CB-CD2 4.16Å; W271-Y309 HydrophobicContact CB-CE2 3.77Å; W271-Y309 AromaticContact CD1-CD2 3.97Å; W271-Y309 HydrophobicContact CD2-CD1 4.31Å; W271-Y309 AromaticContact CD2-CD2 3.46Å; W271-Y309 HydrophobicContact CD2-CD2 3.46Å; W271-Y309 VanDerWaalsContact CD2-CD2 3.46Å; W271-Y309 AromaticContact CD2-CE2 3.75Å; W271-Y309 HydrophobicContact CD2-CE2 3.75Å; W271-Y309 AromaticContact CD2-CG 3.79Å; W271-Y309 HydrophobicContact CD2-CG 3.79Å; W271-Y309 AromaticContact CE2-CD2 3.71Å; W271-Y309 AromaticContact CE2-CG 3.73Å; W271-Y309 AromaticContact CE3-CD1 3.95Å; W271-Y309 HydrophobicContact CE3-CD1 3.95Å; W271-Y309 AromaticContact CE3-CD2 3.85Å; W271-Y309 HydrophobicContact CE3-CD2 3.85Å; W271-Y309 AromaticContact CE3-CE1 3.96Å; W271-Y309 HydrophobicContact CE3-CE1 3.96Å; W271-Y309 AromaticContact CE3-CE2 3.87Å; W271-Y309 HydrophobicContact CE3-CE2 3.87Å; W271-Y309 AromaticContact CE3-CG 3.9Å; W271-Y309 HydrophobicContact CE3-CG 3.9Å; W271-Y309 AromaticContact CE3-CZ 3.92Å; W271-Y309 AromaticContact CG-CD2 3.64Å; W271-Y309 HydrophobicContact CG-CD2 3.64Å; W271-Y309 AromaticContact CG-CE2 3.75Å; W271-Y309 HydrophobicContact CG-CE2 3.75Å; W271-Y309 HydrophobicContact CG-CG 4.41Å; W271-Y309 AromaticContact CH2-CD1 3.93Å; W271-Y309 HydrophobicContact CH2-CD1 3.93Å; W271-Y309 AromaticContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CH2-CG 3.89Å; W271-Y309 HydrophobicContact CZ2-CD1 4.31Å; W271-Y309 HydrophobicContact CZ2-CD2 4.26Å; W271-Y309 AromaticContact CZ2-CG 3.8Å; W271-Y309 HydrophobicContact CZ2-CG 3.8Å; W271-Y309 AromaticContact CZ3-CD1 3.77Å; W271-Y309 HydrophobicContact CZ3-CD1 3.77Å; W271-Y309 HydrophobicContact CZ3-CD2 4.4Å; W271-Y309 HydrophobicContact CZ3-CE1 4.03Å; W271-Y309 AromaticContact CZ3-CG 3.97Å; W271-Y309 HydrophobicContact CZ3-CG 3.97Å; A276-Y309 VanDerWaalsContact CB-OH 3.25Å; A276-Y309 WeakPolarHBondContact CB-OH 3.15Å; F279-Y309 HydrophobicContact CB-CE1 4.31Å; F279-Y309 AromaticContact CD1-CD1 3.9Å; F279-Y309 HydrophobicContact CD1-CD1 3.9Å; F279-Y309 AromaticContact CD1-CE1 3.59Å; F279-Y309 HydrophobicContact CD1-CE1 3.59Å; F279-Y309 HydrophobicContact CD2-CD1 4.27Å; F279-Y309 AromaticContact CE1-CD1 4Å; F279-Y309 HydrophobicContact CE1-CD1 4Å; F279-Y309 HydrophobicContact CE1-CE1 4.02Å; F279-Y309 HydrophobicContact CE2-CD1 4.37Å; F279-Y309 HydrophobicContact CG-CD1 4.03Å; F279-Y309 AromaticContact CG-CE1 3.91Å; F279-Y309 HydrophobicContact CG-CE1 3.91Å; F279-Y309 HydrophobicContact CZ-CD1 4.24Å; S305-Y309 WeakPolarHBondContact O-CB 3.32Å; S305-Y309 PolarHBondContact O-N 3.39Å; Y309-Y311 PolarHBondContact O-N 2.84Å; Y309-M312 PolarHBondContact O-N 3.2Å; Y309-W313 HydrophobicContact CD1-CB 4.2Å; Y309-W313 HydrophobicContact CE1-CB 3.89Å; Y309-W313 HydrophobicContact CE1-CG 4.1Å; Y309-W313 WeakPolarHBondContact O-CB 3.43Å; Y309-W313 PolarHBondContact O-N 2.86Å
310Y97.5Very high95Very high8 Ų863.8 Ų63.83%0.03131%0.31CS..Hα-helixtrans-55.4-47.6179.3168.8-110.1000112.6F279 L283 K288 F290 I306 I307 E308 W313 K314F279-Y310 HydrophobicContact CE1-CD2 4.41Å; F279-Y310 AromaticContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CG 4.32Å; L283-Y310 HydrophobicContact CD1-CD2 4.08Å; L283-Y310 HydrophobicContact CD1-CE2 4.02Å; L283-Y310 HydrophobicContact CD2-CE2 4.44Å; K288-Y310 WeakPolarHBondContact CD-OH 3.47Å; K288-Y310 WeakPolarHBondContact CE-OH 3.48Å; K288-Y310 PolarHBondContact NZ-OH 3.42Å; F290-Y310 HydrophobicContact CE1-CD1 4.11Å; F290-Y310 AromaticContact CE1-CD2 3.86Å; F290-Y310 HydrophobicContact CE1-CD2 3.86Å; F290-Y310 HydrophobicContact CE1-CE2 4.4Å; F290-Y310 AromaticContact CE1-CG 3.66Å; F290-Y310 HydrophobicContact CE1-CG 3.66Å; F290-Y310 HydrophobicContact CE2-CD1 4.44Å; F290-Y310 AromaticContact CZ-CD1 3.52Å; F290-Y310 HydrophobicContact CZ-CD1 3.52Å; F290-Y310 AromaticContact CZ-CD2 3.91Å; F290-Y310 HydrophobicContact CZ-CD2 3.91Å; F290-Y310 AromaticContact CZ-CE1 3.77Å; F290-Y310 HydrophobicContact CZ-CE1 3.77Å; F290-Y310 HydrophobicContact CZ-CE2 4.12Å; F290-Y310 AromaticContact CZ-CG 3.57Å; F290-Y310 HydrophobicContact CZ-CG 3.57Å; I306-Y310 WeakPolarHBondContact O-CB 3.46Å; I306-Y310 PolarHBondContact O-N 3.3Å; I307-Y310 WeakPolarHBondContact O-CB 3.27Å; I307-Y310 PolarHBondContact O-N 2.78Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 3.15Å; Y310-W313 PolarHBondContact O-N 2.94Å; Y310-K314 HydrophobicContact CD1-CD 4.25Å; Y310-K314 HydrophobicContact CD2-CD 4.44Å; Y310-K314 HydrophobicContact CD2-CG 4.39Å; Y310-K314 HydrophobicContact CE1-CD 3.68Å; Y310-K314 HydrophobicContact CE2-CD 3.91Å; Y310-K314 HydrophobicContact CE2-CG 4.07Å; Y310-K314 VanDerWaalsContact O-CG 3.31Å; Y310-K314 WeakPolarHBondContact O-CG 3.36Å; Y310-K314 PolarHBondContact O-N 2.84Å; Y310-K314 VanDerWaalsContact O-N 3.08Å
311Y97.7Very high94.5Very high139 Ų13962 Ų6255%0.54531%0.309SS..Hα-helixtrans-69.4-35.9-177.7-79.5-72.7000112.4I307 E308 Y309I307-Y311 HydrophobicContact CG2-CD2 3.9Å; I307-Y311 HydrophobicContact CG2-CE2 3.74Å; I307-Y311 VanDerWaalsContact O-CD2 3.27Å; I307-Y311 WeakPolarHBondContact O-CD2 3.23Å; I307-Y311 PolarHBondContact O-N 3.41Å; E308-Y311 PolarHBondContact O-N 2.85Å; Y309-Y311 PolarHBondContact O-N 2.84Å
312M96.2Very high93.9Very high62 Ų6264 Ų6431%0.30532%0.318SS..Hα-helixtrans-69.1-46.5173.5-62.9-60.9175.600111.6R230 M268 E308 Y309 K314 T315R230-M312 PolarHBondContact NH2-SD 2.67Å; M268-M312 HydrophobicContact CB-CB 3.7Å; M268-M312 HydrophobicContact CB-CG 4.28Å; M268-M312 HydrophobicContact CG-CB 4.09Å; M268-M312 HydrophobicContact SD-CB 4.23Å; E308-M312 WeakPolarHBondContact O-CG 3.39Å; E308-M312 PolarHBondContact O-N 3.47Å; E308-M312 VanDerWaalsContact O-N 3.15Å; Y309-M312 PolarHBondContact O-N 3.2Å; M312-K314 PolarHBondContact O-N 2.92Å; M312-T315 WeakPolarHBondContact O-CB 3.46Å; M312-T315 PolarHBondContact O-N 3.12Å; M312-T315 PolarHBondContact O-OG1 3.45Å
313W95.3Very high93.3Very high6 Ų667.6 Ų67.62%0.02333%0.327CS..Hα-helixtrans-58.9-32.9179.2175.189.8000112.5M268 F279 E280 L283 Y309 Y310 T315 T316 Y319M268-W313 HydrophobicContact SD-CB 4.18Å; F279-W313 HydrophobicContact CE1-CD2 4.12Å; F279-W313 HydrophobicContact CE1-CE3 4.07Å; F279-W313 HydrophobicContact CE1-CG 4.38Å; E280-W313 HydrophobicContact CG-CZ2 3.74Å; E280-W313 PolarHBondContact OE1-NE1 2.98Å; L283-W313 HydrophobicContact CD2-CE3 4.4Å; L283-W313 HydrophobicContact CD2-CH2 3.66Å; L283-W313 HydrophobicContact CD2-CZ3 3.45Å; L283-W313 VanDerWaalsContact CD2-CZ3 3.45Å; Y309-W313 HydrophobicContact CD1-CB 4.2Å; Y309-W313 HydrophobicContact CE1-CB 3.89Å; Y309-W313 HydrophobicContact CE1-CG 4.1Å; Y309-W313 WeakPolarHBondContact O-CB 3.43Å; Y309-W313 PolarHBondContact O-N 2.86Å; Y310-W313 PolarHBondContact O-N 2.94Å; W313-T315 PolarHBondContact O-N 3.33Å; W313-T315 VanDerWaalsContact O-N 3.07Å; W313-T316 VanDerWaalsContact O-CB 3.28Å; W313-T316 WeakPolarHBondContact O-CB 3.34Å; W313-T316 VanDerWaalsContact O-CG2 3.23Å; W313-T316 WeakPolarHBondContact O-CG2 3.35Å; W313-T316 PolarHBondContact O-N 3.26Å; W313-T316 PolarHBondContact O-OG1 2.86Å; W313-Y319 AromaticContact CE3-CD2 3.9Å; W313-Y319 HydrophobicContact CE3-CD2 3.9Å; W313-Y319 HydrophobicContact CE3-CE2 4.49Å; W313-Y319 HydrophobicContact CE3-CG 4.29Å; W313-Y319 AromaticContact CH2-CD2 3.38Å; W313-Y319 HydrophobicContact CH2-CD2 3.38Å; W313-Y319 HydrophobicContact CH2-CE2 4.15Å; W313-Y319 HydrophobicContact CH2-CG 4.21Å; W313-Y319 HydrophobicContact CZ2-CD2 4.29Å; W313-Y319 AromaticContact CZ3-CD2 3.13Å; W313-Y319 HydrophobicContact CZ3-CD2 3.13Å; W313-Y319 AromaticContact CZ3-CE2 3.64Å; W313-Y319 HydrophobicContact CZ3-CE2 3.64Å; W313-Y319 AromaticContact CZ3-CG 3.93Å; W313-Y319 HydrophobicContact CZ3-CG 3.93Å
314K94.9Very high92.9Very high66 Ų6672.9 Ų72.929%0.28734%0.342SS..THydrogen-bonded Turntrans-61.6-13.4173.8-81.1178.571.2-147.30115.3Y310 M312 Y319Y310-K314 HydrophobicContact CD1-CD 4.25Å; Y310-K314 HydrophobicContact CD2-CD 4.44Å; Y310-K314 HydrophobicContact CD2-CG 4.39Å; Y310-K314 HydrophobicContact CE1-CD 3.68Å; Y310-K314 HydrophobicContact CE2-CD 3.91Å; Y310-K314 HydrophobicContact CE2-CG 4.07Å; Y310-K314 VanDerWaalsContact O-CG 3.31Å; Y310-K314 WeakPolarHBondContact O-CG 3.36Å; Y310-K314 PolarHBondContact O-N 2.84Å; Y310-K314 VanDerWaalsContact O-N 3.08Å; M312-K314 PolarHBondContact O-N 2.92Å; K314-Y319 HydrophobicContact CB-CD1 4.04Å; K314-Y319 HydrophobicContact CB-CE1 3.92Å; K314-Y319 HydrophobicContact CG-CD1 4.22Å; K314-Y319 HydrophobicContact CG-CE1 3.81Å; K314-Y319 HydrophobicContact CG-CE2 4.16Å; K314-Y319 WeakPolarHBondContact O-CD1 3.18Å
315T92.4Very high92.4Very high99 Ų9973.8 Ų73.861%0.60734%0.342SS*.THydrogen-bonded Turntrans-91.5-9.9175.469.10000112.5M312 W313M312-T315 WeakPolarHBondContact O-CB 3.46Å; M312-T315 PolarHBondContact O-N 3.12Å; M312-T315 PolarHBondContact O-OG1 3.45Å; W313-T315 PolarHBondContact O-N 3.33Å; W313-T315 VanDerWaalsContact O-N 3.07Å
316T89.5Confident91.8Very high29 Ų2979.1 Ų79.118%0.17837%0.365CS..SBendtrans-64.4145.4179.363.70000111.8M268 W313 R318 Y319 V320M268-T316 HydrophobicContact CE-CG2 3.33Å; M268-T316 HydrophobicContact SD-CG2 4.32Å; W313-T316 VanDerWaalsContact O-CB 3.28Å; W313-T316 WeakPolarHBondContact O-CB 3.34Å; W313-T316 VanDerWaalsContact O-CG2 3.23Å; W313-T316 WeakPolarHBondContact O-CG2 3.35Å; W313-T316 PolarHBondContact O-N 3.26Å; W313-T316 PolarHBondContact O-OG1 2.86Å; T316-R318 PolarHBondContact O-N 3.16Å; T316-Y319 PolarHBondContact O-N 3.36Å; T316-Y319 VanDerWaalsContact O-N 3.14Å; T316-Y319 WeakPolarHBondContact OG1-CB 3.18Å; T316-Y319 PolarHBondContact OG1-N 3.18Å; T316-V320 WeakPolarHBondContact O-CG2 3.42Å; T316-V320 PolarHBondContact O-N 3.08Å
317D87.7Confident91.1Very high128 Ų12881.3 Ų81.368%0.68438%0.383SS*.Hα-helixtrans-55.8-38.3174.8-70.8-40.1000111.8Y319 V320 Q321D317-Y319 PolarHBondContact O-N 3.46Å; D317-V320 PolarHBondContact O-N 3Å; D317-Q321 WeakPolarHBondContact O-CB 3.28Å; D317-Q321 WeakPolarHBondContact O-CG 3.17Å; D317-Q321 PolarHBondContact O-N 3.24Å
318R84.8Confident90.5Very high154 Ų15481.5 Ų81.558%0.58139%0.393SS*.Hα-helixtrans-56.5-50.7176.5-176.3177.5174.6117.7-3.6111.6E280 T316 Q322E280-R318 VanDerWaalsContact CD-NE 3.3Å; E280-R318 WeakPolarHBondContact OE1-CD 3.3Å; E280-R318 IonicContact OE1-CZ 3.13Å; E280-R318 IonicContact OE1-NE 2.69Å; E280-R318 PolarHBondContact OE1-NE 3.02Å; E280-R318 IonicContact OE2-CZ 3.28Å; E280-R318 IonicContact OE2-NE 3.93Å; E280-R318 PolarHBondContact OE2-NE 3.24Å; E280-R318 IonicContact OE2-NH2 2.94Å; E280-R318 PolarHBondContact OE2-NH2 3.32Å; T316-R318 PolarHBondContact O-N 3.16Å; R318-Q322 WeakPolarHBondContact O-CB 3.47Å; R318-Q322 PolarHBondContact O-N 3.4Å
319Y87.4Confident89.9Confident39 Ų3983.6 Ų83.615%0.15340%0.402CS..Hα-helixtrans-64.8-44.5177174.6-99.3000112.3W313 K314 T316 D317 Q321 Q322 K323W313-Y319 AromaticContact CE3-CD2 3.9Å; W313-Y319 HydrophobicContact CE3-CD2 3.9Å; W313-Y319 HydrophobicContact CE3-CE2 4.49Å; W313-Y319 HydrophobicContact CE3-CG 4.29Å; W313-Y319 AromaticContact CH2-CD2 3.38Å; W313-Y319 HydrophobicContact CH2-CD2 3.38Å; W313-Y319 HydrophobicContact CH2-CE2 4.15Å; W313-Y319 HydrophobicContact CH2-CG 4.21Å; W313-Y319 HydrophobicContact CZ2-CD2 4.29Å; W313-Y319 AromaticContact CZ3-CD2 3.13Å; W313-Y319 HydrophobicContact CZ3-CD2 3.13Å; W313-Y319 AromaticContact CZ3-CE2 3.64Å; W313-Y319 HydrophobicContact CZ3-CE2 3.64Å; W313-Y319 AromaticContact CZ3-CG 3.93Å; W313-Y319 HydrophobicContact CZ3-CG 3.93Å; K314-Y319 HydrophobicContact CB-CD1 4.04Å; K314-Y319 HydrophobicContact CB-CE1 3.92Å; K314-Y319 HydrophobicContact CG-CD1 4.22Å; K314-Y319 HydrophobicContact CG-CE1 3.81Å; K314-Y319 HydrophobicContact CG-CE2 4.16Å; K314-Y319 WeakPolarHBondContact O-CD1 3.18Å; T316-Y319 PolarHBondContact O-N 3.36Å; T316-Y319 VanDerWaalsContact O-N 3.14Å; T316-Y319 WeakPolarHBondContact OG1-CB 3.18Å; T316-Y319 PolarHBondContact OG1-N 3.18Å; D317-Y319 PolarHBondContact O-N 3.46Å; Y319-Q321 VanDerWaalsContact C-N 3.31Å; Y319-Q321 PolarHBondContact O-N 3.17Å; Y319-Q322 PolarHBondContact O-N 3.44Å; Y319-K323 HydrophobicContact CE1-CD 4.21Å; Y319-K323 WeakPolarHBondContact O-CB 3.47Å; Y319-K323 PolarHBondContact O-N 3.15Å
320V88.9Confident89Confident47 Ų4785.6 Ų85.629%0.28542%0.421SS..Hα-helixtrans-61.4-42.4-179.1173.90000110.7T316 D317 K323 R324T316-V320 WeakPolarHBondContact O-CG2 3.42Å; T316-V320 PolarHBondContact O-N 3.08Å; D317-V320 PolarHBondContact O-N 3Å; V320-K323 PolarHBondContact O-N 3.32Å; V320-R324 WeakPolarHBondContact O-CG 3.45Å; V320-R324 PolarHBondContact O-N 2.83Å
321Q87.5Confident88Confident117 Ų11792 Ų9255%0.54745%0.451SS..Hα-helixtrans-61.8-48.6173.9-73.1174.17.300111.5D317 Y319 K323 R324 L325D317-Q321 WeakPolarHBondContact O-CB 3.28Å; D317-Q321 WeakPolarHBondContact O-CG 3.17Å; D317-Q321 PolarHBondContact O-N 3.24Å; Y319-Q321 VanDerWaalsContact C-N 3.31Å; Y319-Q321 PolarHBondContact O-N 3.17Å; Q321-K323 VanDerWaalsContact C-N 3.28Å; Q321-K323 PolarHBondContact O-N 2.84Å; Q321-R324 PolarHBondContact O-N 2.9Å; Q321-R324 VanDerWaalsContact O-N 3.15Å; Q321-L325 WeakPolarHBondContact O-CG 3.46Å; Q321-L325 PolarHBondContact O-N 3.01Å
322Q85.6Confident87Confident70 Ų7089.9 Ų89.933%0.32746%0.456SS..Hα-helixtrans-58.5-40.6177.4-165.9-171.223.600111.9R318 Y319 L325 K326R318-Q322 WeakPolarHBondContact O-CB 3.47Å; R318-Q322 PolarHBondContact O-N 3.4Å; Y319-Q322 PolarHBondContact O-N 3.44Å; Q322-L325 PolarHBondContact O-N 2.93Å; Q322-K326 WeakPolarHBondContact O-CG 3.22Å; Q322-K326 PolarHBondContact O-N 3.13Å
323K87.1Confident86.3Confident131 Ų13191.2 Ų91.257%0.5746%0.461SS*.Hα-helixtrans-66.1-41.8176.3-173.5-176175.4-170.10112Y319 V320 Q321 K326 A327Y319-K323 HydrophobicContact CE1-CD 4.21Å; Y319-K323 WeakPolarHBondContact O-CB 3.47Å; Y319-K323 PolarHBondContact O-N 3.15Å; V320-K323 PolarHBondContact O-N 3.32Å; Q321-K323 VanDerWaalsContact C-N 3.28Å; Q321-K323 PolarHBondContact O-N 2.84Å; K323-K326 PolarHBondContact O-N 3.33Å; K323-A327 WeakPolarHBondContact O-CB 3.44Å; K323-A327 PolarHBondContact O-N 3.47Å
324R89.1Confident86Confident177 Ų17793.6 Ų93.667%0.66847%0.474SS*.Hα-helixtrans-61.7-43.1175.3-75175.2-178.1174.62.9111.3V320 Q321 A327 A328V320-R324 WeakPolarHBondContact O-CG 3.45Å; V320-R324 PolarHBondContact O-N 2.83Å; Q321-R324 PolarHBondContact O-N 2.9Å; Q321-R324 VanDerWaalsContact O-N 3.15Å; R324-A327 PolarHBondContact O-N 2.93Å; R324-A328 WeakPolarHBondContact O-CB 3.19Å; R324-A328 PolarHBondContact O-N 3.47Å
325L87.9Confident85.7Confident126 Ų12697.3 Ų97.366%0.6649%0.489SS*.Hα-helixtrans-61.6-47.1175.8-69.3171.5000111.7Q321 Q322 A327 A328 E329Q321-L325 WeakPolarHBondContact O-CG 3.46Å; Q321-L325 PolarHBondContact O-N 3.01Å; Q322-L325 PolarHBondContact O-N 2.93Å; L325-A327 VanDerWaalsContact C-N 3.31Å; L325-A327 PolarHBondContact O-N 3.46Å; L325-A328 PolarHBondContact O-N 3.35Å; L325-E329 PolarHBondContact O-N 2.87Å
326K85.8Confident85.7Confident118 Ų11896.5 Ų96.551%0.51348%0.479SS..Hα-helixtrans-61.8-36.7175.3-76.2178.5176.5175.60112.8Q322 K323 A330Q322-K326 WeakPolarHBondContact O-CG 3.22Å; Q322-K326 PolarHBondContact O-N 3.13Å; K323-K326 PolarHBondContact O-N 3.33Å; K326-A330 WeakPolarHBondContact O-CB 3.27Å; K326-A330 PolarHBondContact O-N 2.93Å
327A83.8Confident85.9Confident47 Ų4796 Ų9639%0.38848%0.476SS..Hα-helixtrans-68.2-44175.800000111.8K323 R324 L325 E329 A330 E331K323-A327 WeakPolarHBondContact O-CB 3.44Å; K323-A327 PolarHBondContact O-N 3.47Å; R324-A327 PolarHBondContact O-N 2.93Å; L325-A327 VanDerWaalsContact C-N 3.31Å; L325-A327 PolarHBondContact O-N 3.46Å; A327-E329 VanDerWaalsContact C-N 3.31Å; A327-E329 PolarHBondContact O-N 3.13Å; A327-A330 PolarHBondContact O-N 2.85Å; A327-A330 VanDerWaalsContact O-N 3.14Å; A327-E331 WeakPolarHBondContact O-CG 3.36Å; A327-E331 PolarHBondContact O-N 2.63Å
328A86Confident86.1Confident56 Ų5696.2 Ų96.246%0.46347%0.468SS..Hα-helixtrans-61.1-40.2174.900000111.7R324 L325 E331 S332R324-A328 WeakPolarHBondContact O-CB 3.19Å; R324-A328 PolarHBondContact O-N 3.47Å; L325-A328 PolarHBondContact O-N 3.35Å; A328-E331 PolarHBondContact O-N 2.72Å; A328-S332 PolarHBondContact O-N 3.5Å
329E84.4Confident86.4Confident127 Ų12789.5 Ų89.559%0.59344%0.443SS*.Hα-helixtrans-61.8-43.9172.8-171-172.3169.600111.4L325 A327 E331 S332L325-E329 PolarHBondContact O-N 2.87Å; A327-E329 VanDerWaalsContact C-N 3.31Å; A327-E329 PolarHBondContact O-N 3.13Å; E329-E331 VanDerWaalsContact C-N 3.35Å; E329-E331 PolarHBondContact O-N 2.91Å; E329-S332 WeakPolarHBondContact O-CB 3.33Å; E329-S332 PolarHBondContact O-N 3.28Å; E329-S332 PolarHBondContact O-OG 2.99Å
330A78.8Confident86.4Confident52 Ų5291.9 Ų91.943%0.4346%0.463SS..Hα-helixtrans-65.4-3617600000112.8K326 A327 S332 K333K326-A330 WeakPolarHBondContact O-CB 3.27Å; K326-A330 PolarHBondContact O-N 2.93Å; A327-A330 PolarHBondContact O-N 2.85Å; A327-A330 VanDerWaalsContact O-N 3.14Å; A330-S332 VanDerWaalsContact C-N 3.26Å; A330-S332 PolarHBondContact O-N 2.69Å; A330-K333 VanDerWaalsContact O-CB 3.28Å; A330-K333 WeakPolarHBondContact O-CB 3.32Å; A330-K333 WeakPolarHBondContact O-CG 3.45Å; A330-K333 PolarHBondContact O-N 2.72Å
331E77.3Confident86Confident142 Ų14294.8 Ų94.866%0.66448%0.477SS*.Hα-helixtrans-68.3-26.3174.8-75.6-173.8167.600113.1A327 A328 E329 K333A327-E331 WeakPolarHBondContact O-CG 3.36Å; A327-E331 PolarHBondContact O-N 2.63Å; A328-E331 PolarHBondContact O-N 2.72Å; E329-E331 VanDerWaalsContact C-N 3.35Å; E329-E331 PolarHBondContact O-N 2.91Å; E331-K333 PolarHBondContact O-N 2.8Å
332S76.4Confident85.5Confident94 Ų9494.9 Ų94.966%0.65747%0.474SS*.THydrogen-bonded Turntrans-71.5-13.7173.282.40000113.5A328 E329 A330A328-S332 PolarHBondContact O-N 3.5Å; E329-S332 WeakPolarHBondContact O-CB 3.33Å; E329-S332 PolarHBondContact O-N 3.28Å; E329-S332 PolarHBondContact O-OG 2.99Å; A330-S332 VanDerWaalsContact C-N 3.26Å; A330-S332 PolarHBondContact O-N 2.69Å
333K82.8Confident84.8Confident91 Ų9198.6 Ų98.640%0.39650%0.496SS..SBendtrans-66.7147.5176.7-63.5-176.6175.4-172.10111.3E29 A330 E331 K335E29-K333 WeakPolarHBondContact OE1-CD 3.45Å; E29-K333 WeakPolarHBondContact OE1-CE 3.41Å; E29-K333 IonicContact OE1-NZ 2.79Å; E29-K333 PolarHBondContact OE1-NZ 2.88Å; A330-K333 VanDerWaalsContact O-CB 3.28Å; A330-K333 WeakPolarHBondContact O-CB 3.32Å; A330-K333 WeakPolarHBondContact O-CG 3.45Å; A330-K333 PolarHBondContact O-N 2.72Å; E331-K333 PolarHBondContact O-N 2.8Å; K333-K335 PolarHBondContact O-N 3.08Å
334L86.9Confident84.3Confident56 Ų5699.3 Ų99.329%0.29350%0.499SS..BIsolated β-bridgetrans-64.5122.2-179.8-72.3173.1000110.4L30 K32 V38L30-L334 HydrophobicContact CB-CB 3.85Å; L30-L334 WeakPolarHBondContact CB-O 3.45Å; K32-L334 HydrophobicContact CB-CD1 3.68Å; K32-L334 HydrophobicContact CB-CG 4.32Å; K32-L334 HydrophobicContact CG-CD1 4.32Å; V38-L334 HydrophobicContact CB-CD1 4.5Å; V38-L334 HydrophobicContact CG1-CD1 3.88Å; V38-L334 HydrophobicContact CG2-CD1 3.82Å
335K90.5Very high83.6Confident143 Ų14396.4 Ų96.462%0.62250%0.503SS*.SBendtrans-89.3-22.6172.9-63.2-178.2-178.2176.20112.7R7 V8 K333R7-K335 WeakPolarHBondContact CA-O 3.34Å; V8-K335 PolarHBondContact N-O 3.02Å; V8-K335 VanDerWaalsContact N-O 3.08Å; K333-K335 PolarHBondContact O-N 3.08Å
336Q91.4Very high83.3Confident82 Ų8292.3 Ų92.338%0.38348%0.482SS..EExtended strand (participates in β ladder)trans-149.2156.3-178.867.2-175.4-9.500112.2M5 Y6 R7M5-Q336 HydrophobicContact SD-CB 4.14Å; M5-Q336 HydrophobicContact SD-CG 4.04Å; Y6-Q336 CarbonylContact O-C 3.56Å; Y6-Q336 WeakPolarHBondContact O-CA 3.15Å; Y6-Q336 WeakPolarHBondContact O-CB 3.44Å; R7-Q336 HydrophobicContact CG-CB 3.96Å
337V93.3Very high83.2Confident18 Ų1891 Ų9111%0.10949%0.486CS..EExtended strand (participates in β ladder)trans-139.3138.217763.50000110.5Y6 L30 V38 A102 I339Y6-V337 PolarHBondContact N-O 3.28Å; Y6-V337 PolarHBondContact O-N 2.88Å; L30-V337 HydrophobicContact CD1-CB 4.18Å; L30-V337 HydrophobicContact CD1-CG1 3.87Å; L30-V337 HydrophobicContact CD2-CG1 3.96Å; V38-V337 HydrophobicContact CB-CG2 4.16Å; V38-V337 HydrophobicContact CG1-CB 4.32Å; V38-V337 HydrophobicContact CG1-CG2 4.01Å; V38-V337 HydrophobicContact CG2-CG2 4.09Å; A102-V337 HydrophobicContact CB-CG1 4.44Å; V337-I339 HydrophobicContact CG1-CD1 4.24Å; V337-I339 HydrophobicContact CG1-CG1 4.27Å; V337-I339 HydrophobicContact CG2-CG1 4.3Å
338Y92.6Very high83.2Confident133 Ų13390 Ų9052%0.52247%0.474SS..EExtended strand (participates in β ladder)trans-94129169.8179.2-94000109.9N4 M5 P340N4-Y338 HydrophobicContact CB-CD2 3.94Å; N4-Y338 HydrophobicContact CB-CE2 3.46Å; N4-Y338 VanDerWaalsContact CB-CE2 3.46Å; N4-Y338 WeakPolarHBondContact O-CA 3.44Å; M5-Y338 HydrophobicContact CE-CD2 4.21Å; Y338-P340 HydrophobicContact CD1-CG 4.35Å; Y338-P340 HydrophobicContact CE1-CB 4.46Å; Y338-P340 HydrophobicContact CE1-CG 4.05Å
339I90.8Very high83.2Confident13 Ų1391.8 Ų91.87%0.06747%0.472CS..  trans-119.3113.6-179.5-57.3172.2000108.9N4 Y6 A102 I105 V337N4-I339 VanDerWaalsContact CB-O 3.3Å; N4-I339 WeakPolarHBondContact CB-O 3.32Å; N4-I339 PolarHBondContact O-N 3.33Å; Y6-I339 HydrophobicContact CD2-CB 4.19Å; Y6-I339 HydrophobicContact CD2-CD1 3.58Å; Y6-I339 HydrophobicContact CD2-CG1 3.91Å; Y6-I339 HydrophobicContact CE2-CB 3.91Å; Y6-I339 HydrophobicContact CE2-CD1 3.84Å; Y6-I339 HydrophobicContact CE2-CG1 4.13Å; Y6-I339 HydrophobicContact CG-CD1 4.3Å; A102-I339 HydrophobicContact CB-CD1 4.25Å; A102-I339 WeakPolarHBondContact O-CD1 3.32Å; I105-I339 HydrophobicContact CB-CD1 3.66Å; I105-I339 HydrophobicContact CD1-CD1 3.76Å; I105-I339 HydrophobicContact CG1-CD1 4.19Å; I105-I339 HydrophobicContact CG2-CD1 4.27Å; V337-I339 HydrophobicContact CG1-CD1 4.24Å; V337-I339 HydrophobicContact CG1-CG1 4.27Å; V337-I339 HydrophobicContact CG2-CG1 4.3Å
340P87.1Confident83.2Confident89 Ų8989 Ų8958%0.57846%0.461SS*.  trans-59.9155.5177.4-22.632.5000113.1Y338 Y342Y338-P340 HydrophobicContact CD1-CG 4.35Å; Y338-P340 HydrophobicContact CE1-CB 4.46Å; Y338-P340 HydrophobicContact CE1-CG 4.05Å; P340-Y342 PolarHBondContact O-N 2.69Å
341N81.6Confident83.1Confident108 Ų10891.2 Ų91.258%0.57847%0.473SS*.  trans-59.7132.4176.7-73.5-17.6000111.4N4 N343N4-N341 PolarHBondContact ND2-OD1 3.35Å; N4-N341 PolarHBondContact OD1-OD1 2.88Å; N341-N343 PolarHBondContact O-N 2.68Å
342Y77.1Confident82.2Confident119 Ų11989.4 Ų89.447%0.46747%0.468SS..  trans-87.195.6179.7-166-96.9000110.8R106 P340 K344R106-Y342 VanDerWaalsContact NH1-CB 3.3Å; R106-Y342 VanDerWaalsContact NH2-CE1 3.34Å; R106-Y342 VanDerWaalsContact NH2-CZ 3.34Å; P340-Y342 PolarHBondContact O-N 2.69Å; Y342-K344 HydrophobicContact CD1-CB 4.24Å; Y342-K344 HydrophobicContact CE1-CB 3.68Å; Y342-K344 HydrophobicContact CE1-CD 4.18Å; Y342-K344 HydrophobicContact CE1-CG 3.9Å; Y342-K344 PolarHBondContact O-N 3Å; Y342-K344 WeakPolarHBondContact OH-CD 3.49Å
343N70.3Confident80.6Confident148 Ų14889.5 Ų89.579%0.79147%0.469SS*.  trans-94.526-173.4-71.1-14.1000114.7N341N341-N343 PolarHBondContact O-N 2.68Å
344K76.3Confident78.6Confident146 Ų14690.7 Ų90.764%0.63548%0.484SS*.PPolyproline II helixtrans-74.9139.3175.8-67.2-161-172.81790111Y342 N346Y342-K344 HydrophobicContact CD1-CB 4.24Å; Y342-K344 HydrophobicContact CE1-CB 3.68Å; Y342-K344 HydrophobicContact CE1-CD 4.18Å; Y342-K344 HydrophobicContact CE1-CG 3.9Å; Y342-K344 PolarHBondContact O-N 3Å; Y342-K344 WeakPolarHBondContact OH-CD 3.49Å; K344-N346 PolarHBondContact O-N 3.05Å
345P74.9Confident75.8Confident117 Ų11797.4 Ų97.476%0.7651%0.511SS*.PPolyproline II helixtrans-59.2131.6177.523.4-32.1000110.4P347P345-P347 WeakPolarHBondContact O-CD 3.47Å
346N80.9Confident73Confident40 Ų4096.3 Ų96.321%0.21452%0.518CS..PPolyproline II helixtrans-73.7119.7179.3-179.6-8.2000108.9K344 N348 Q349 Y395 W411K344-N346 PolarHBondContact O-N 3.05Å; N346-N348 PolarHBondContact O-N 2.82Å; N346-N348 VanDerWaalsContact O-N 3.08Å; N346-N348 WeakPolarHBondContact OD1-CB 3.41Å; N346-N348 PolarHBondContact OD1-N 3.45Å; N346-Q349 HydrophobicContact CB-CB 4.31Å; N346-Q349 VanDerWaalsContact O-CB 3.23Å; N346-Q349 WeakPolarHBondContact O-CB 3.49Å; N346-Q349 PolarHBondContact O-N 3.21Å; N346-Y395 WeakPolarHBondContact ND2-CE1 3.5Å; N346-W411 PolarHBondContact ND2-NE1 3.26Å
347P83.7Confident70Confident91 Ų9197 Ų9759%0.59154%0.538SS*.THydrogen-bonded Turntrans-63.5-18.6-177.926.5-35.6000113.3S18 P345 Q349S18-P347 VanDerWaalsContact OG-CG 3.29Å; S18-P347 WeakPolarHBondContact OG-CG 3.41Å; P345-P347 WeakPolarHBondContact O-CD 3.47Å; P347-Q349 VanDerWaalsContact C-N 3.34Å
348N85Confident67Low25 Ų25104.4 Ų104.413%0.13458%0.576CS.*THydrogen-bonded Turntrans-87.7-0.9177.2-62.6-56.7000113S19 N346 L350 Y395 S396 W411S19-N348 PolarHBondContact OG-ND2 3.47Å; N346-N348 PolarHBondContact O-N 2.82Å; N346-N348 VanDerWaalsContact O-N 3.08Å; N346-N348 WeakPolarHBondContact OD1-CB 3.41Å; N346-N348 PolarHBondContact OD1-N 3.45Å; N348-L350 PolarHBondContact O-N 2.68Å; N348-Y395 CarbonylContact O-C 3.45Å; N348-Y395 WeakPolarHBondContact O-CA 3.37Å; N348-S396 WeakPolarHBondContact CA-OG 3.45Å; N348-S396 PolarHBondContact O-N 3.2Å; N348-S396 PolarHBondContact O-OG 2.95Å; N348-S396 PolarHBondContact OD1-OG 2.6Å; N348-W411 HydrophobicContact CB-CH2 3.53Å; N348-W411 HydrophobicContact CB-CZ2 3.96Å; N348-W411 HydrophobicContact CB-CZ3 4.16Å; N348-W411 WeakPolarHBondContact ND2-CH2 3.37Å
349Q86.2Confident64.3Low93 Ų93106.1 Ų106.144%0.43559%0.593SS.*EExtended strand (participates in β ladder)trans-76.3123.4180-168.1176.2-16.200110.6N346 P347 Q393 Y395N346-Q349 HydrophobicContact CB-CB 4.31Å; N346-Q349 VanDerWaalsContact O-CB 3.23Å; N346-Q349 WeakPolarHBondContact O-CB 3.49Å; N346-Q349 PolarHBondContact O-N 3.21Å; P347-Q349 VanDerWaalsContact C-N 3.34Å; Q349-Q393 HydrophobicContact CG-CG 3.99Å; Q349-Q393 VanDerWaalsContact NE2-CD 3.31Å; Q349-Y395 HydrophobicContact CB-CD1 4.28Å; Q349-Y395 HydrophobicContact CB-CE1 4.09Å; Q349-Y395 HydrophobicContact CG-CE1 4.17Å
350L83.7Confident61.3Low68 Ų68113.8 Ų113.836%0.35663%0.634SS.*EExtended strand (participates in β ladder)trans-87.1130.2177.6-65166.7000110N348 N352 Q393 W394 R405N348-L350 PolarHBondContact O-N 2.68Å; L350-N352 PolarHBondContact O-N 3.47Å; L350-Q393 PolarHBondContact O-NE2 2.93Å; L350-W394 HydrophobicContact CB-CB 4.13Å; L350-W394 HydrophobicContact CD1-CB 3.92Å; L350-W394 PolarHBondContact N-O 2.89Å; L350-R405 HydrophobicContact CD1-CB 4.25Å
351S76.3Confident58.4Low99 Ų99113.4 Ų113.469%0.69265%0.646SS**PPolyproline II helixtrans-69.7122.9176.6177.80000111.1S353S351-S353 VanDerWaalsContact C-N 3.28Å; S351-S353 PolarHBondContact O-N 3.29Å; S351-S353 PolarHBondContact OG-OG 3.4Å
352N58.8Low55.8Low104 Ų104113.2 Ų113.256%0.55666%0.66SS**  trans-83.368.3165.8-85.5-8.1000109.5L350L350-N352 PolarHBondContact O-N 3.47Å
353S42.1Very low53.4Low96 Ų96112.4 Ų112.467%0.67168%0.677SS**  trans-105.285174.250.70000110.8S351S351-S353 VanDerWaalsContact C-N 3.28Å; S351-S353 PolarHBondContact O-N 3.29Å; S351-S353 PolarHBondContact OG-OG 3.4Å
354V41.2Very low51.5Low116 Ų116108.8 Ų108.870%0.70368%0.676SS**  trans-114.7112.5157.2179.50000106.9
355K28Very low49.1Very low198 Ų198107.2 Ų107.286%0.86168%0.683SS**  trans-66.7127.9162.9-77.1-177.7176.2-179.90107.5A357K355-A357 PolarHBondContact O-N 3.01Å
356P32.6Very low47.5Very low120 Ų120109.8 Ų109.878%0.77969%0.69SS**  trans-70.7111168.828.6-29.6000107.8L358P356-L358 PolarHBondContact O-N 2.89Å
357A28.2Very low45.1Very low96 Ų96113.7 Ų113.779%0.79372%0.715SS**PPolyproline II helixtrans-70.1122.1167.800000108.2K355K355-A357 PolarHBondContact O-N 3.01Å
358L30.4Very low43.2Very low173 Ų173115.4 Ų115.491%0.90673%0.726SS**PPolyproline II helixtrans-56.4131-178.6-69153.9000111.4P356P356-L358 PolarHBondContact O-N 2.89Å
359L34.3Very low40.6Very low170 Ų170118.6 Ų118.689%0.8976%0.756SS**PPolyproline II helixtrans-69.8131.4160.5-95.596.1000109.5
360N28.7Very low38.1Very low174 Ų174119.5 Ų119.593%0.9377%0.77SS**  trans-163.3133.3137.7-130.113000111.9
361G26.6Very low36Very low80 Ų80122.9 Ų122.983%0.82580%0.796SS**  trans145.8112.616900000113.9
362A26.5Very low34.4Very low105 Ų105121.9 Ų121.987%0.86880%0.802SS**  trans-87.1170.5-166.900000115.8
363A27.6Very low33.1Very low101 Ų101122.3 Ų122.384%0.83581%0.812SS**  trans83102.4156.600000119.3
364G28.8Very low32.5Very low73 Ų73124.4 Ų124.475%0.75382%0.821SS**  70.1107.8123.300000118.9
365S27Very low32.1Very low112 Ų112127.6 Ų127.678%0.78383%0.829SS**  168.3133.8120.240.10000111.5V367S365-V367 PolarHBondContact O-N 3.01Å
366N40Very low32.3Very low171 Ų171124.5 Ų124.591%0.91483%0.826SS**  trans-63.2116.3165.5-79-11.4000109.7
367V31.5Very low32.6Very low122 Ų122124.7 Ų124.774%0.73983%0.828SS**  trans-146.8129.3156.7-169.20000109.4S365S365-V367 PolarHBondContact O-N 3.01Å
368P44.6Very low33.5Very low127 Ų127122.8 Ų122.883%0.82582%0.817SS**  trans-93.4127.2174.333.2-26.9000111.7
369A30.4Very low34.4Very low93 Ų93121.5 Ų121.577%0.76981%0.811SS**  trans-178.2163.5159.400000110.4
370P31.8Very low35.5Very low111 Ų111117 Ų11772%0.72181%0.805SS**  cis-123.7169.4-29.931.7-13.4000112.1G372P370-G372 PolarHBondContact O-N 2.9Å
371P41.2Very low37.8Very low140 Ų140115.6 Ų115.691%0.90979%0.787SS**SBendtrans-80.2107175.630.9-29.3000110.3
372G42.6Very low40.7Very low78 Ų78113.3 Ų113.380%0.80476%0.76SS**  trans159.657.4177.200000114.4P370P370-G372 PolarHBondContact O-N 2.9Å
373S30.7Very low43.7Very low112 Ų112108.3 Ų108.378%0.78372%0.718SS**  trans-129.8119.2161.560.70000109.6Q375S373-Q375 PolarHBondContact O-N 2.86Å
374T30.4Very low46.7Very low140 Ų140105.7 Ų105.786%0.85969%0.689SS**  trans-56.2115.2172400000109.6T376T374-T376 PolarHBondContact O-N 3.22Å
375Q31.2Very low49.6Very low183 Ų183102.3 Ų102.386%0.85565%0.653SS**  trans-58.7126.4167.5-71.7176.316.300109.5S373 P377S373-Q375 PolarHBondContact O-N 2.86Å; Q375-P377 VanDerWaalsContact O-CD 3.29Å; Q375-P377 WeakPolarHBondContact O-CD 3.5Å
376T32.6Very low52.6Low133 Ų13399.4 Ų99.482%0.81663%0.633SS**  trans-59115167.2-31.70000109.3T374 G378T374-T376 PolarHBondContact O-N 3.22Å; T376-G378 PolarHBondContact O-N 3.38Å
377P40.5Very low54.9Low125 Ų12597 Ų9781%0.81261%0.612SS**SBendtrans-88.9112.2-175.331.5-27.6000110.1Q375Q375-P377 VanDerWaalsContact O-CD 3.29Å; Q375-P377 WeakPolarHBondContact O-CD 3.5Å
378G46.4Very low57.6Low55 Ų5593.4 Ų93.457%0.56759%0.59SS**SBendtrans168.1-21.4167.500000118.2T376T376-G378 PolarHBondContact O-N 3.38Å
379L49.2Very low59.6Low147 Ų14792 Ų9277%0.7758%0.583SS**SBendtrans-98-0.3-166.1-79.2156.1000116.1
380G58Low62.3Low74 Ų7492 Ų9276%0.76358%0.578SS**  trans-113.80.7-167.700000118.5A382G380-A382 PolarHBondContact O-N 3.19Å
381R75.9Confident65.1Low146 Ų14687.8 Ų87.855%0.55155%0.551SS**PPolyproline II helixtrans-74.3124.7-173.7-77.6-173.5179.4-104.2-0.3112.3R405R381-R405 PolarHBondContact O-NE 3.3Å; R381-R405 PolarHBondContact O-NH2 2.85Å
382A86.9Confident67.5Low31 Ų3189.7 Ų89.726%0.25654%0.541SS..PPolyproline II helixtrans-65164.1174.300000111.8G380 E384 Y387 T388G380-A382 PolarHBondContact O-N 3.19Å; A382-E384 PolarHBondContact O-N 3.45Å; A382-Y387 WeakPolarHBondContact CB-O 3.43Å; A382-T388 CarbonylContact C-O 3.57Å; A382-T388 WeakPolarHBondContact CA-O 3.24Å
383C90.9Very high69.8Low0 Ų087.3 Ų87.30%051%0.509CS..PPolyproline II helixtrans-56.5128.5172.4176.80000110.6S385 C386 Y387 T388 W394 C407C383-S385 PolarHBondContact O-N 3.44Å; C383-S385 VanDerWaalsContact O-N 3.11Å; C383-C386 VanDerWaalsContact SG-SG 3.63Å; C383-Y387 WeakPolarHBondContact O-CA 3.29Å; C383-Y387 PolarHBondContact O-N 3.03Å; C383-T388 HydrophobicContact CB-CG2 3.8Å; C383-T388 PolarHBondContact N-O 3.14Å; C383-W394 HydrophobicContact CB-CH2 4.3Å; C383-W394 HydrophobicContact CB-CZ3 3.97Å; C383-C407 HydrophobicContact CB-CB 4.12Å; C383-C407 PolarHBondContact SG-N 3.3Å; C383-C407 VanDerWaalsContact SG-N 3.37Å
384E90.3Very high72.7Confident47 Ų4782.6 Ų82.622%0.2247%0.474CS..THydrogen-bonded Turntrans-64.8-18.9-178.5-65.7-65.7174.600113.6A382 C404 R405 L406A382-E384 PolarHBondContact O-N 3.45Å; E384-C404 HydrophobicContact CG-CB 3.84Å; E384-R405 PolarHBondContact N-O 3.19Å; E384-R405 VanDerWaalsContact N-O 3.1Å; E384-L406 HydrophobicContact CB-CD2 4.09Å
385S89.2Confident75.6Confident1 Ų177.4 Ų77.41%0.00744%0.439CS..THydrogen-bonded Turntrans-94.9-45.9177.8-175.80000113.7C383 K421 M422C383-S385 PolarHBondContact O-N 3.44Å; C383-S385 VanDerWaalsContact O-N 3.11Å; S385-K421 WeakPolarHBondContact OG-CB 3.33Å; S385-K421 PolarHBondContact OG-N 2.77Å; S385-M422 WeakPolarHBondContact O-CB 3.49Å; S385-M422 WeakPolarHBondContact O-CG 3.36Å; S385-M422 PolarHBondContact OG-N 3.39Å
386C89.9Confident78.4Confident52 Ų5270.6 Ų70.635%0.35141%0.412SS..THydrogen-bonded Turntrans-118.21.4-172.3690000114C383 T388C383-C386 VanDerWaalsContact SG-SG 3.63Å; C386-T388 PolarHBondContact O-N 2.9Å; C386-T388 WeakPolarHBondContact SG-CG2 3.33Å
387Y88.6Confident81.1Confident120 Ų12067.3 Ų67.347%0.47138%0.384SS..  trans55.916.9-179.6-52.7-81.5000115.1A382 C383A382-Y387 WeakPolarHBondContact CB-O 3.43Å; C383-Y387 WeakPolarHBondContact O-CA 3.29Å; C383-Y387 PolarHBondContact O-N 3.03Å
388T88.1Confident83Confident47 Ų4763.8 Ų63.829%0.28837%0.371SS..  trans-65140.7168.3-170.70000110A382 C383 C386 S390 W394 C407A382-T388 CarbonylContact C-O 3.57Å; A382-T388 WeakPolarHBondContact CA-O 3.24Å; C383-T388 HydrophobicContact CB-CG2 3.8Å; C383-T388 PolarHBondContact N-O 3.14Å; C386-T388 PolarHBondContact O-N 2.9Å; C386-T388 WeakPolarHBondContact SG-CG2 3.33Å; T388-S390 VanDerWaalsContact CG2-O 3.28Å; T388-S390 WeakPolarHBondContact CG2-O 3.42Å; T388-S390 PolarHBondContact OG1-N 2.79Å; T388-S390 VanDerWaalsContact OG1-N 3.17Å; T388-S390 PolarHBondContact OG1-O 2.99Å; T388-W394 HydrophobicContact CG2-CH2 4.36Å; T388-W394 WeakPolarHBondContact O-CH2 3.19Å; T388-C407 HydrophobicContact CG2-CB 3.69Å
389S87Confident84.6Confident97 Ų9764.5 Ų64.568%0.67837%0.365SS*.SBendtrans-94.1-6.5169.152.20000112.6
390S87.9Confident85.7Confident93 Ų9363.5 Ų63.565%0.6537%0.367SS*.  trans-117.5130.8-178.7-177.70000111.6T388T388-S390 VanDerWaalsContact CG2-O 3.28Å; T388-S390 WeakPolarHBondContact CG2-O 3.42Å; T388-S390 PolarHBondContact OG1-N 2.79Å; T388-S390 VanDerWaalsContact OG1-N 3.17Å; T388-S390 PolarHBondContact OG1-O 2.99Å
391S89.8Confident86.5Confident23 Ų2366.4 Ų66.416%0.16137%0.366CS..  trans-157.5144.3170.1-162.40000110Q393 C407 A408S391-Q393 PolarHBondContact O-N 3.26Å; S391-Q393 PolarHBondContact OG-O 3.09Å; S391-C407 WeakPolarHBondContact OG-CB 3.32Å; S391-A408 PolarHBondContact OG-N 2.89Å; S391-A408 VanDerWaalsContact OG-N 3.08Å
392Y91.4Very high86.5Confident180 Ų18065 Ų6571%0.70637%0.367SS*.SBendtrans-65.7-25.4174.469.6-94.3000112.3A408Y392-A408 HydrophobicContact CD1-CB 4.11Å; Y392-A408 HydrophobicContact CE1-CB 3.37Å; Y392-A408 HydrophobicContact CE2-CB 3.85Å; Y392-A408 VanDerWaalsContact OH-CB 3.3Å; Y392-A408 WeakPolarHBondContact OH-CB 3.29Å
393Q90.9Very high86.1Confident27 Ų2770.1 Ų70.113%0.12639%0.385CS..SBendtrans-147.5136.4178.8-176.35868.300110.4Q349 L350 S391 Y395 A408Q349-Q393 HydrophobicContact CG-CG 3.99Å; Q349-Q393 VanDerWaalsContact NE2-CD 3.31Å; L350-Q393 PolarHBondContact O-NE2 2.93Å; S391-Q393 PolarHBondContact O-N 3.26Å; S391-Q393 PolarHBondContact OG-O 3.09Å; Q393-Y395 HydrophobicContact CB-CE2 4.22Å; Q393-Y395 HydrophobicContact CG-CD2 4.37Å; Q393-Y395 HydrophobicContact CG-CE1 4.36Å; Q393-Y395 HydrophobicContact CG-CE2 3.64Å; Q393-A408 HydrophobicContact CB-CB 4.25Å; Q393-A408 PolarHBondContact O-N 3.13Å; Q393-A408 VanDerWaalsContact O-N 3.1Å
394W91.4Very high85.9Confident13 Ų1371.1 Ų71.15%0.04939%0.392CS..EExtended strand (participates in β ladder)trans-108.5146176.1-67.498.2000111.2L350 C383 T388 R405 C407L350-W394 HydrophobicContact CB-CB 4.13Å; L350-W394 HydrophobicContact CD1-CB 3.92Å; L350-W394 PolarHBondContact N-O 2.89Å; C383-W394 HydrophobicContact CB-CH2 4.3Å; C383-W394 HydrophobicContact CB-CZ3 3.97Å; T388-W394 HydrophobicContact CG2-CH2 4.36Å; T388-W394 WeakPolarHBondContact O-CH2 3.19Å; W394-R405 HydrophobicContact CE3-CB 4.28Å; W394-R405 HydrophobicContact CE3-CG 3.72Å; W394-R405 HydrophobicContact CZ3-CG 3.95Å; W394-C407 HydrophobicContact CE3-CB 4.48Å; W394-C407 HydrophobicContact CH2-CB 4.32Å; W394-C407 HydrophobicContact CZ3-CB 4.05Å
395Y91.5Very high85.9Confident31 Ų3170.6 Ų70.612%0.12239%0.388CS..EExtended strand (participates in β ladder)trans-126.1135.3176.2-62.2-89.9000111N346 N348 Q349 Q393 R405 L406 A408 W411N346-Y395 WeakPolarHBondContact ND2-CE1 3.5Å; N348-Y395 CarbonylContact O-C 3.45Å; N348-Y395 WeakPolarHBondContact O-CA 3.37Å; Q349-Y395 HydrophobicContact CB-CD1 4.28Å; Q349-Y395 HydrophobicContact CB-CE1 4.09Å; Q349-Y395 HydrophobicContact CG-CE1 4.17Å; Q393-Y395 HydrophobicContact CB-CE2 4.22Å; Q393-Y395 HydrophobicContact CG-CD2 4.37Å; Q393-Y395 HydrophobicContact CG-CE1 4.36Å; Q393-Y395 HydrophobicContact CG-CE2 3.64Å; Y395-R405 CarbonylContact O-C 3.56Å; Y395-R405 WeakPolarHBondContact O-CA 3.15Å; Y395-R405 WeakPolarHBondContact O-CB 3.38Å; Y395-L406 PolarHBondContact N-O 3.29Å; Y395-L406 PolarHBondContact O-N 3.18Å; Y395-A408 HydrophobicContact CE2-CB 4.07Å; Y395-W411 VanDerWaalsContact CB-CD2 3.47Å; Y395-W411 AromaticContact CD1-CD1 3.91Å; Y395-W411 AromaticContact CD1-CD2 3.84Å; Y395-W411 HydrophobicContact CD1-CD2 3.84Å; Y395-W411 AromaticContact CD1-CE2 3.76Å; Y395-W411 HydrophobicContact CD1-CE3 4.46Å; Y395-W411 AromaticContact CD1-CG 3.95Å; Y395-W411 HydrophobicContact CD1-CG 3.95Å; Y395-W411 HydrophobicContact CD1-CZ2 4.33Å; Y395-W411 AromaticContact CD1-NE1 3.79Å; Y395-W411 HydrophobicContact CD2-CB 3.43Å; Y395-W411 VanDerWaalsContact CD2-CB 3.43Å; Y395-W411 AromaticContact CD2-CD1 3.78Å; Y395-W411 HydrophobicContact CD2-CD2 4.02Å; Y395-W411 AromaticContact CD2-CG 3.43Å; Y395-W411 HydrophobicContact CD2-CG 3.43Å; Y395-W411 VanDerWaalsContact CD2-CG 3.43Å; Y395-W411 AromaticContact CE1-CD1 3.93Å; Y395-W411 HydrophobicContact CE1-CG 4.38Å; Y395-W411 AromaticContact CE1-NE1 3.87Å; Y395-W411 HydrophobicContact CE2-CB 3.99Å; Y395-W411 AromaticContact CE2-CD1 3.79Å; Y395-W411 AromaticContact CE2-CG 3.9Å; Y395-W411 HydrophobicContact CE2-CG 3.9Å; Y395-W411 HydrophobicContact CG-CB 3.89Å; Y395-W411 AromaticContact CG-CD1 3.83Å; Y395-W411 AromaticContact CG-CD2 3.5Å; Y395-W411 HydrophobicContact CG-CD2 3.5Å; Y395-W411 VanDerWaalsContact CG-CD2 3.5Å; Y395-W411 AromaticContact CG-CE2 3.94Å; Y395-W411 AromaticContact CG-CE3 3.94Å; Y395-W411 HydrophobicContact CG-CE3 3.94Å; Y395-W411 AromaticContact CG-CG 3.44Å; Y395-W411 HydrophobicContact CG-CG 3.44Å; Y395-W411 VanDerWaalsContact CG-CG 3.44Å; Y395-W411 AromaticContact CZ-CD1 3.85Å
396S90.8Very high86.1Confident40 Ų4070.5 Ų70.528%0.2839%0.388SS..EExtended strand (participates in β ladder)trans-69135.4170.2560000110N348 W411N348-S396 WeakPolarHBondContact CA-OG 3.45Å; N348-S396 PolarHBondContact O-N 3.2Å; N348-S396 PolarHBondContact O-OG 2.95Å; N348-S396 PolarHBondContact OD1-OG 2.6Å; S396-W411 WeakPolarHBondContact O-CZ3 3.43Å
397W88.4Confident86.3Confident65 Ų6568.1 Ų68.125%0.24637%0.371CS..  trans-137135-177.4177.984000110.1C404 L406 W414 L420W397-C404 HydrophobicContact CE3-CB 3.73Å; W397-C404 HydrophobicContact CZ3-CB 4.28Å; W397-C404 PolarHBondContact N-O 3.39Å; W397-C404 WeakPolarHBondContact O-CB 3.41Å; W397-C404 VanDerWaalsContact O-O 3.12Å; W397-L406 HydrophobicContact CB-CD1 4.01Å; W397-L406 HydrophobicContact CB-CG 3.86Å; W397-L406 HydrophobicContact CD2-CD1 4.29Å; W397-L406 HydrophobicContact CD2-CG 4.46Å; W397-L406 HydrophobicContact CG-CD1 3.68Å; W397-L406 HydrophobicContact CG-CG 3.94Å; W397-W414 AromaticContact CD1-CD2 3.81Å; W397-W414 AromaticContact CD1-CE2 3.64Å; W397-W414 AromaticContact CD1-CZ2 3.89Å; W397-W414 AromaticContact CD1-NE1 3.98Å; W397-W414 AromaticContact NE1-CD1 3.47Å; W397-W414 AromaticContact NE1-CD2 3.67Å; W397-W414 AromaticContact NE1-CE2 3.21Å; W397-W414 AromaticContact NE1-CG 3.79Å; W397-W414 AromaticContact NE1-CZ2 3.71Å; W397-W414 AromaticContact NE1-NE1 3.1Å; W397-L420 HydrophobicContact CH2-CD1 3.91Å; W397-L420 HydrophobicContact CH2-CD2 4.32Å; W397-L420 HydrophobicContact CH2-CG 4.35Å; W397-L420 HydrophobicContact CZ2-CD1 4.21Å; W397-L420 HydrophobicContact CZ2-CD2 3.86Å; W397-L420 HydrophobicContact CZ2-CG 4.14Å; W397-L420 HydrophobicContact CZ3-CD1 4.47Å
398G80.8Confident86.5Confident51 Ų5162.4 Ų62.453%0.52635%0.349SS..SBendtrans79.7-171.7-17900000114.7
399P79.5Confident86.7Confident70 Ų7064 Ų6446%0.45536%0.362SS..  trans-58.8140.3-177.5-28.638.6000113.2N401 M402P399-N401 WeakPolarHBondContact CB-OD1 3.24Å; P399-N401 PolarHBondContact O-N 2.89Å; P399-M402 HydrophobicContact CG-SD 4.48Å; P399-M402 PolarHBondContact O-N 3.44Å
400P72.5Confident87Confident125 Ų12559.4 Ų59.481%0.81233%0.33SS*.THydrogen-bonded Turntrans-56.5-29.7-176.3-26.834.2000114.6M402P400-M402 VanDerWaalsContact C-N 3.29Å; P400-M402 PolarHBondContact O-N 3.43Å
401N74.6Confident87.2Confident136 Ų13655.6 Ų55.673%0.72730%0.301SS*.THydrogen-bonded Turntrans-71.5-19.317963.6-40.8000113.9P399P399-N401 WeakPolarHBondContact CB-OD1 3.24Å; P399-N401 PolarHBondContact O-N 2.89Å
402M75.9Confident87.3Confident117 Ų11757.6 Ų57.658%0.57631%0.313SS*.THydrogen-bonded Turntrans-90.2-17.8179.6-70.6-173.8147.600113.1P399 P400 C404P399-M402 HydrophobicContact CG-SD 4.48Å; P399-M402 PolarHBondContact O-N 3.44Å; P400-M402 VanDerWaalsContact C-N 3.29Å; P400-M402 PolarHBondContact O-N 3.43Å; M402-C404 PolarHBondContact O-N 3.45Å
403Q79.2Confident87.4Confident137 Ų13750 Ų5064%0.6428%0.283SS*.  trans49.831-179.6-59.5179.9-4.900113.8
404C87.1Confident87.5Confident21 Ų2149.9 Ų49.914%0.14228%0.281CS..  trans-71.2144.1178-71.30000110.2E384 W397 M402E384-C404 HydrophobicContact CG-CB 3.84Å; W397-C404 HydrophobicContact CE3-CB 3.73Å; W397-C404 HydrophobicContact CZ3-CB 4.28Å; W397-C404 PolarHBondContact N-O 3.39Å; W397-C404 WeakPolarHBondContact O-CB 3.41Å; W397-C404 VanDerWaalsContact O-O 3.12Å; M402-C404 PolarHBondContact O-N 3.45Å
405R90.2Very high87.5Confident36 Ų3650.1 Ų50.114%0.13628%0.283CS..EExtended strand (participates in β ladder)trans-137.9149.4-179.270.8178.4-174.9179.90.3112.9L350 R381 E384 W394 Y395L350-R405 HydrophobicContact CD1-CB 4.25Å; R381-R405 PolarHBondContact O-NE 3.3Å; R381-R405 PolarHBondContact O-NH2 2.85Å; E384-R405 PolarHBondContact N-O 3.19Å; E384-R405 VanDerWaalsContact N-O 3.1Å; W394-R405 HydrophobicContact CE3-CB 4.28Å; W394-R405 HydrophobicContact CE3-CG 3.72Å; W394-R405 HydrophobicContact CZ3-CG 3.95Å; Y395-R405 CarbonylContact O-C 3.56Å; Y395-R405 WeakPolarHBondContact O-CA 3.15Å; Y395-R405 WeakPolarHBondContact O-CB 3.38Å
406L92.6Very high87.6Confident0 Ų050.9 Ų50.90%029%0.287CS..EExtended strand (participates in β ladder)trans-116.9141.3174.8-61.8178.9000110.2E384 Y395 W397 C410 W411 W414 L420E384-L406 HydrophobicContact CB-CD2 4.09Å; Y395-L406 PolarHBondContact N-O 3.29Å; Y395-L406 PolarHBondContact O-N 3.18Å; W397-L406 HydrophobicContact CB-CD1 4.01Å; W397-L406 HydrophobicContact CB-CG 3.86Å; W397-L406 HydrophobicContact CD2-CD1 4.29Å; W397-L406 HydrophobicContact CD2-CG 4.46Å; W397-L406 HydrophobicContact CG-CD1 3.68Å; W397-L406 HydrophobicContact CG-CG 3.94Å; L406-C410 HydrophobicContact CB-CB 4.28Å; L406-C410 HydrophobicContact CD2-CB 4.31Å; L406-W411 HydrophobicContact CB-CB 4.28Å; L406-W411 HydrophobicContact CD1-CE3 4.33Å; L406-W414 HydrophobicContact CD1-CB 4.02Å; L406-W414 HydrophobicContact CD1-CG 4.28Å; L406-L420 HydrophobicContact CD1-CD2 4.05Å; L406-L420 HydrophobicContact CD2-CD2 3.84Å
407C93.6Very high87.7Confident1 Ų149.6 Ų49.61%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-67.1160.7165.470.60000109.8C383 T388 S391 W394 S409 C410 W411C383-C407 HydrophobicContact CB-CB 4.12Å; C383-C407 PolarHBondContact SG-N 3.3Å; C383-C407 VanDerWaalsContact SG-N 3.37Å; T388-C407 HydrophobicContact CG2-CB 3.69Å; S391-C407 WeakPolarHBondContact OG-CB 3.32Å; W394-C407 HydrophobicContact CE3-CB 4.48Å; W394-C407 HydrophobicContact CH2-CB 4.32Å; W394-C407 HydrophobicContact CZ3-CB 4.05Å; C407-S409 VanDerWaalsContact C-N 3.31Å; C407-S409 PolarHBondContact O-N 3.09Å; C407-S409 PolarHBondContact SG-OG 2.66Å; C407-S409 VanDerWaalsContact SG-OG 3.35Å; C407-C410 PolarHBondContact O-N 3.11Å; C407-C410 VanDerWaalsContact O-N 3.08Å; C407-C410 PolarHBondContact SG-SG 2.54Å; C407-W411 PolarHBondContact O-N 2.78Å
408A92.6Very high87.8Confident0 Ų047 Ų470%027%0.27CS..Hα-helixtrans-55.4-40.8-174.300000114.7S391 Y392 Q393 Y395 W411 T412S391-A408 PolarHBondContact OG-N 2.89Å; S391-A408 VanDerWaalsContact OG-N 3.08Å; Y392-A408 HydrophobicContact CD1-CB 4.11Å; Y392-A408 HydrophobicContact CE1-CB 3.37Å; Y392-A408 HydrophobicContact CE2-CB 3.85Å; Y392-A408 VanDerWaalsContact OH-CB 3.3Å; Y392-A408 WeakPolarHBondContact OH-CB 3.29Å; Q393-A408 HydrophobicContact CB-CB 4.25Å; Q393-A408 PolarHBondContact O-N 3.13Å; Q393-A408 VanDerWaalsContact O-N 3.1Å; Y395-A408 HydrophobicContact CE2-CB 4.07Å; A408-W411 PolarHBondContact O-N 3.18Å; A408-T412 PolarHBondContact O-N 2.97Å; A408-T412 PolarHBondContact O-OG1 3.1Å
409S92.9Very high88.2Confident80 Ų8045.2 Ų45.256%0.55925%0.25SS*.Hα-helixtrans-67.1-38.9178.359.20000112.7C407 Y413C407-S409 VanDerWaalsContact C-N 3.31Å; C407-S409 PolarHBondContact O-N 3.09Å; C407-S409 PolarHBondContact SG-OG 2.66Å; C407-S409 VanDerWaalsContact SG-OG 3.35Å; S409-Y413 WeakPolarHBondContact O-CB 3.46Å; S409-Y413 PolarHBondContact O-N 2.68Å
410C93.3Very high88.7Confident1 Ų142.6 Ų42.61%0.00723%0.232CC..Hα-helixtrans-75.1-30.3177.4-67.50000112.3L406 C407 W414L406-C410 HydrophobicContact CB-CB 4.28Å; L406-C410 HydrophobicContact CD2-CB 4.31Å; C407-C410 PolarHBondContact O-N 3.11Å; C407-C410 VanDerWaalsContact O-N 3.08Å; C407-C410 PolarHBondContact SG-SG 2.54Å; C410-W414 VanDerWaalsContact O-CB 3.29Å; C410-W414 WeakPolarHBondContact O-CB 3.34Å; C410-W414 PolarHBondContact O-N 3.27Å
411W92.8Very high89.3Confident13 Ų1340.7 Ų40.75%0.04921%0.211CC..Hα-helixtrans-63.3-49.5170.7176.1-98.6000111.3N346 N348 Y395 S396 L406 C407 A408 Y413 W414 K415N346-W411 PolarHBondContact ND2-NE1 3.26Å; N348-W411 HydrophobicContact CB-CH2 3.53Å; N348-W411 HydrophobicContact CB-CZ2 3.96Å; N348-W411 HydrophobicContact CB-CZ3 4.16Å; N348-W411 WeakPolarHBondContact ND2-CH2 3.37Å; Y395-W411 VanDerWaalsContact CB-CD2 3.47Å; Y395-W411 AromaticContact CD1-CD1 3.91Å; Y395-W411 AromaticContact CD1-CD2 3.84Å; Y395-W411 HydrophobicContact CD1-CD2 3.84Å; Y395-W411 AromaticContact CD1-CE2 3.76Å; Y395-W411 HydrophobicContact CD1-CE3 4.46Å; Y395-W411 AromaticContact CD1-CG 3.95Å; Y395-W411 HydrophobicContact CD1-CG 3.95Å; Y395-W411 HydrophobicContact CD1-CZ2 4.33Å; Y395-W411 AromaticContact CD1-NE1 3.79Å; Y395-W411 HydrophobicContact CD2-CB 3.43Å; Y395-W411 VanDerWaalsContact CD2-CB 3.43Å; Y395-W411 AromaticContact CD2-CD1 3.78Å; Y395-W411 HydrophobicContact CD2-CD2 4.02Å; Y395-W411 AromaticContact CD2-CG 3.43Å; Y395-W411 HydrophobicContact CD2-CG 3.43Å; Y395-W411 VanDerWaalsContact CD2-CG 3.43Å; Y395-W411 AromaticContact CE1-CD1 3.93Å; Y395-W411 HydrophobicContact CE1-CG 4.38Å; Y395-W411 AromaticContact CE1-NE1 3.87Å; Y395-W411 HydrophobicContact CE2-CB 3.99Å; Y395-W411 AromaticContact CE2-CD1 3.79Å; Y395-W411 AromaticContact CE2-CG 3.9Å; Y395-W411 HydrophobicContact CE2-CG 3.9Å; Y395-W411 HydrophobicContact CG-CB 3.89Å; Y395-W411 AromaticContact CG-CD1 3.83Å; Y395-W411 AromaticContact CG-CD2 3.5Å; Y395-W411 HydrophobicContact CG-CD2 3.5Å; Y395-W411 VanDerWaalsContact CG-CD2 3.5Å; Y395-W411 AromaticContact CG-CE2 3.94Å; Y395-W411 AromaticContact CG-CE3 3.94Å; Y395-W411 HydrophobicContact CG-CE3 3.94Å; Y395-W411 AromaticContact CG-CG 3.44Å; Y395-W411 HydrophobicContact CG-CG 3.44Å; Y395-W411 VanDerWaalsContact CG-CG 3.44Å; Y395-W411 AromaticContact CZ-CD1 3.85Å; S396-W411 WeakPolarHBondContact O-CZ3 3.43Å; L406-W411 HydrophobicContact CB-CB 4.28Å; L406-W411 HydrophobicContact CD1-CE3 4.33Å; C407-W411 PolarHBondContact O-N 2.78Å; A408-W411 PolarHBondContact O-N 3.18Å; W411-Y413 VanDerWaalsContact C-N 3.33Å; W411-Y413 PolarHBondContact O-N 3.17Å; W411-W414 HydrophobicContact CD2-CE3 4.42Å; W411-W414 HydrophobicContact CE3-CE3 4.01Å; W411-W414 HydrophobicContact CE3-CZ3 4.15Å; W411-W414 HydrophobicContact CH2-CE3 4.23Å; W411-W414 HydrophobicContact CH2-CH2 4.32Å; W411-W414 AromaticContact CH2-CZ3 3.54Å; W411-W414 HydrophobicContact CH2-CZ3 3.54Å; W411-W414 HydrophobicContact CZ2-CZ3 4.06Å; W411-W414 AromaticContact CZ3-CE3 3.92Å; W411-W414 HydrophobicContact CZ3-CE3 3.92Å; W411-W414 HydrophobicContact CZ3-CH2 4.38Å; W411-W414 AromaticContact CZ3-CZ3 3.6Å; W411-W414 HydrophobicContact CZ3-CZ3 3.6Å; W411-W414 PolarHBondContact O-N 3.18Å; W411-K415 HydrophobicContact CD2-CG 4.49Å; W411-K415 HydrophobicContact CZ2-CD 4.1Å; W411-K415 HydrophobicContact CZ2-CG 4.24Å; W411-K415 PolarHBondContact O-N 3.35Å
412T92Very high89.8Confident66 Ų6637.1 Ų37.141%0.40519%0.191SC..Hα-helixtrans-60.2-43.7176.2-60.30000111.4A408 K415 K416A408-T412 PolarHBondContact O-N 2.97Å; A408-T412 PolarHBondContact O-OG1 3.1Å; T412-K415 PolarHBondContact O-N 3.01Å; T412-K416 HydrophobicContact CG2-CD 4.11Å; T412-K416 PolarHBondContact O-N 3.02Å
413Y92.9Very high89.6Confident20 Ų2034 Ų348%0.07818%0.18CC..Hα-helixtrans-58.9-50.7174.7-175-86.5000111.3H88 S409 W411 K415 K416 Y417 G419 K421H88-Y413 PolarHBondContact CD2-OH 2.76Å; S409-Y413 WeakPolarHBondContact O-CB 3.46Å; S409-Y413 PolarHBondContact O-N 2.68Å; W411-Y413 VanDerWaalsContact C-N 3.33Å; W411-Y413 PolarHBondContact O-N 3.17Å; Y413-K415 VanDerWaalsContact C-N 3.31Å; Y413-K415 PolarHBondContact O-N 2.8Å; Y413-K416 PolarHBondContact O-N 3.08Å; Y413-K416 VanDerWaalsContact O-N 3.17Å; Y413-Y417 HydrophobicContact CD1-CD2 4.21Å; Y413-Y417 AromaticContact CD2-CD2 3.38Å; Y413-Y417 HydrophobicContact CD2-CD2 3.38Å; Y413-Y417 AromaticContact CD2-CE2 3.69Å; Y413-Y417 HydrophobicContact CD2-CE2 3.69Å; Y413-Y417 HydrophobicContact CD2-CG 4.32Å; Y413-Y417 HydrophobicContact CE1-CD2 4.23Å; Y413-Y417 HydrophobicContact CE1-CG 4.36Å; Y413-Y417 AromaticContact CE2-CD2 3.4Å; Y413-Y417 HydrophobicContact CE2-CD2 3.4Å; Y413-Y417 VanDerWaalsContact CE2-CD2 3.4Å; Y413-Y417 AromaticContact CE2-CE2 3.77Å; Y413-Y417 HydrophobicContact CE2-CE2 3.77Å; Y413-Y417 AromaticContact CE2-CG 3.95Å; Y413-Y417 HydrophobicContact CE2-CG 3.95Å; Y413-Y417 AromaticContact CG-CD2 3.8Å; Y413-Y417 HydrophobicContact CG-CD2 3.8Å; Y413-Y417 HydrophobicContact CG-CE2 4.45Å; Y413-Y417 AromaticContact CZ-CD2 3.84Å; Y413-Y417 AromaticContact CZ-CG 3.96Å; Y413-Y417 WeakPolarHBondContact O-CB 3Å; Y413-Y417 VanDerWaalsContact O-CD2 3.3Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.41Å; Y413-Y417 PolarHBondContact O-N 3.32Å; Y413-G419 WeakPolarHBondContact CD1-O 3.4Å; Y413-G419 WeakPolarHBondContact CE1-O 3.38Å; Y413-K421 HydrophobicContact CD1-CB 3.71Å; Y413-K421 HydrophobicContact CD1-CG 4.42Å; Y413-K421 HydrophobicContact CD2-CB 4.34Å; Y413-K421 HydrophobicContact CD2-CD 4.21Å; Y413-K421 HydrophobicContact CD2-CG 4.21Å; Y413-K421 VanDerWaalsContact CE1-CA 3.44Å; Y413-K421 HydrophobicContact CE1-CB 3.88Å; Y413-K421 HydrophobicContact CE1-CG 4.41Å; Y413-K421 HydrophobicContact CE2-CB 4.49Å; Y413-K421 HydrophobicContact CE2-CG 4.2Å; Y413-K421 HydrophobicContact CG-CB 3.97Å; Y413-K421 HydrophobicContact CG-CD 4.42Å; Y413-K421 HydrophobicContact CG-CG 4.33Å
414W92.7Very high88.8Confident25 Ų2531 Ų3110%0.09517%0.171CC..Hα-helixtrans-61.6-38.4178.9172.581.3000112.4S19 P21 W397 L406 C410 W411 G418 G419S19-W414 WeakPolarHBondContact O-CH2 3.41Å; P21-W414 WeakPolarHBondContact CB-O 3.43Å; P21-W414 VanDerWaalsContact CD-CZ2 3.43Å; P21-W414 HydrophobicContact CG-CD2 3.84Å; P21-W414 HydrophobicContact CG-CE3 4.24Å; P21-W414 HydrophobicContact CG-CG 4.46Å; P21-W414 HydrophobicContact CG-CH2 3.92Å; P21-W414 HydrophobicContact CG-CZ2 3.47Å; P21-W414 VanDerWaalsContact CG-CZ2 3.47Å; P21-W414 HydrophobicContact CG-CZ3 4.27Å; P21-W414 WeakPolarHBondContact CG-O 3.47Å; W397-W414 AromaticContact CD1-CD2 3.81Å; W397-W414 AromaticContact CD1-CE2 3.64Å; W397-W414 AromaticContact CD1-CZ2 3.89Å; W397-W414 AromaticContact CD1-NE1 3.98Å; W397-W414 AromaticContact NE1-CD1 3.47Å; W397-W414 AromaticContact NE1-CD2 3.67Å; W397-W414 AromaticContact NE1-CE2 3.21Å; W397-W414 AromaticContact NE1-CG 3.79Å; W397-W414 AromaticContact NE1-CZ2 3.71Å; W397-W414 AromaticContact NE1-NE1 3.1Å; L406-W414 HydrophobicContact CD1-CB 4.02Å; L406-W414 HydrophobicContact CD1-CG 4.28Å; C410-W414 VanDerWaalsContact O-CB 3.29Å; C410-W414 WeakPolarHBondContact O-CB 3.34Å; C410-W414 PolarHBondContact O-N 3.27Å; W411-W414 HydrophobicContact CD2-CE3 4.42Å; W411-W414 HydrophobicContact CE3-CE3 4.01Å; W411-W414 HydrophobicContact CE3-CZ3 4.15Å; W411-W414 HydrophobicContact CH2-CE3 4.23Å; W411-W414 HydrophobicContact CH2-CH2 4.32Å; W411-W414 AromaticContact CH2-CZ3 3.54Å; W411-W414 HydrophobicContact CH2-CZ3 3.54Å; W411-W414 HydrophobicContact CZ2-CZ3 4.06Å; W411-W414 AromaticContact CZ3-CE3 3.92Å; W411-W414 HydrophobicContact CZ3-CE3 3.92Å; W411-W414 HydrophobicContact CZ3-CH2 4.38Å; W411-W414 AromaticContact CZ3-CZ3 3.6Å; W411-W414 HydrophobicContact CZ3-CZ3 3.6Å; W411-W414 PolarHBondContact O-N 3.18Å; W414-G418 VanDerWaalsContact O-CA 3.24Å; W414-G418 WeakPolarHBondContact O-CA 3.32Å; W414-G418 PolarHBondContact O-N 3.1Å; W414-G419 WeakPolarHBondContact CA-O 3.44Å
415K92.8Very high87.2Confident18 Ų1838.6 Ų38.68%0.07820%0.196CC..Hα-helixtrans-62.3-42.2174.8-78.6-70.5-68.1-168.70112E15 S18 N20 P21 L22 W411 T412 Y413E15-K415 IonicContact OE1-NZ 3.47Å; E15-K415 PolarHBondContact OE1-NZ 3.33Å; S18-K415 PolarHBondContact O-NZ 3.12Å; S18-K415 VanDerWaalsContact O-NZ 3.12Å; N20-K415 PolarHBondContact O-NZ 3.19Å; P21-K415 CarbonylContact C-O 3.6Å; P21-K415 WeakPolarHBondContact CA-O 3.36Å; L22-K415 WeakPolarHBondContact CB-O 3.38Å; L22-K415 PolarHBondContact N-O 2.99Å; W411-K415 HydrophobicContact CD2-CG 4.49Å; W411-K415 HydrophobicContact CZ2-CD 4.1Å; W411-K415 HydrophobicContact CZ2-CG 4.24Å; W411-K415 PolarHBondContact O-N 3.35Å; T412-K415 PolarHBondContact O-N 3.01Å; Y413-K415 VanDerWaalsContact C-N 3.31Å; Y413-K415 PolarHBondContact O-N 2.8Å
416K93.1Very high85Confident46 Ų4644.3 Ų44.320%0.223%0.229CC..Hα-helixtrans-80.7-39.4-176.7-73.8176.8162.9-158.50113.9Y13 R47 D128 T412 Y413Y13-K416 HydrophobicContact CE1-CB 4.36Å; Y13-K416 HydrophobicContact CE1-CG 4.48Å; Y13-K416 HydrophobicContact CE2-CD 4.37Å; Y13-K416 HydrophobicContact CE2-CG 4.1Å; R47-K416 PolarHBondContact NH2-O 2.83Å; D128-K416 WeakPolarHBondContact OD1-CD 3.44Å; D128-K416 WeakPolarHBondContact OD1-CE 3.39Å; D128-K416 IonicContact OD1-NZ 2.82Å; D128-K416 PolarHBondContact OD1-NZ 3.45Å; D128-K416 IonicContact OD2-NZ 2.95Å; D128-K416 PolarHBondContact OD2-NZ 3.08Å; T412-K416 HydrophobicContact CG2-CD 4.11Å; T412-K416 PolarHBondContact O-N 3.02Å; Y413-K416 PolarHBondContact O-N 3.08Å; Y413-K416 VanDerWaalsContact O-N 3.17Å
417Y92.2Very high82.3Confident14 Ų1451.3 Ų51.36%0.05527%0.266CS..Hα-helixtrans-108.1-12.8-170.7-61.3-77.4000113.4R47 R89 D128 F130 Y413 G419R47-Y417 PolarHBondContact NE-O 2.83Å; R89-Y417 HydrophobicContact CG-CD1 4.06Å; R89-Y417 HydrophobicContact CG-CE1 3.86Å; D128-Y417 PolarHBondContact N-OH 2.84Å; D128-Y417 VanDerWaalsContact N-OH 3.11Å; F130-Y417 AromaticContact CE1-CD1 3.51Å; F130-Y417 HydrophobicContact CE1-CD1 3.51Å; F130-Y417 AromaticContact CE1-CE1 3.79Å; F130-Y417 HydrophobicContact CE1-CE1 3.79Å; F130-Y417 HydrophobicContact CE2-CE1 4.33Å; F130-Y417 AromaticContact CZ-CD1 3.62Å; F130-Y417 HydrophobicContact CZ-CD1 3.62Å; F130-Y417 AromaticContact CZ-CE1 3.57Å; F130-Y417 HydrophobicContact CZ-CE1 3.57Å; Y413-Y417 HydrophobicContact CD1-CD2 4.21Å; Y413-Y417 AromaticContact CD2-CD2 3.38Å; Y413-Y417 HydrophobicContact CD2-CD2 3.38Å; Y413-Y417 AromaticContact CD2-CE2 3.69Å; Y413-Y417 HydrophobicContact CD2-CE2 3.69Å; Y413-Y417 HydrophobicContact CD2-CG 4.32Å; Y413-Y417 HydrophobicContact CE1-CD2 4.23Å; Y413-Y417 HydrophobicContact CE1-CG 4.36Å; Y413-Y417 AromaticContact CE2-CD2 3.4Å; Y413-Y417 HydrophobicContact CE2-CD2 3.4Å; Y413-Y417 VanDerWaalsContact CE2-CD2 3.4Å; Y413-Y417 AromaticContact CE2-CE2 3.77Å; Y413-Y417 HydrophobicContact CE2-CE2 3.77Å; Y413-Y417 AromaticContact CE2-CG 3.95Å; Y413-Y417 HydrophobicContact CE2-CG 3.95Å; Y413-Y417 AromaticContact CG-CD2 3.8Å; Y413-Y417 HydrophobicContact CG-CD2 3.8Å; Y413-Y417 HydrophobicContact CG-CE2 4.45Å; Y413-Y417 AromaticContact CZ-CD2 3.84Å; Y413-Y417 AromaticContact CZ-CG 3.96Å; Y413-Y417 WeakPolarHBondContact O-CB 3Å; Y413-Y417 VanDerWaalsContact O-CD2 3.3Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.41Å; Y413-Y417 PolarHBondContact O-N 3.32Å; Y417-G419 VanDerWaalsContact C-N 3.26Å; Y417-G419 PolarHBondContact O-N 2.76Å
418G89.8Confident79.8Confident11 Ų1154.6 Ų54.611%0.11330%0.301CS..SBendtrans78.22.7173.700000115.9R49 W414R49-G418 PolarHBondContact NH1-O 2.76Å; R49-G418 VanDerWaalsContact NH1-O 3.1Å; W414-G418 VanDerWaalsContact O-CA 3.24Å; W414-G418 WeakPolarHBondContact O-CA 3.32Å; W414-G418 PolarHBondContact O-N 3.1Å
419G89.6Confident77Confident12 Ų1263 Ų6312%0.12434%0.34CS..SBendtrans-138169.9178.600000112.6Y413 W414 Y417Y413-G419 WeakPolarHBondContact CD1-O 3.4Å; Y413-G419 WeakPolarHBondContact CE1-O 3.38Å; W414-G419 WeakPolarHBondContact CA-O 3.44Å; Y417-G419 VanDerWaalsContact C-N 3.26Å; Y417-G419 PolarHBondContact O-N 2.76Å
420L90.2Very high74.4Confident15 Ų1569.6 Ų69.68%0.07935%0.353CS..  trans-78.7143.7174.9-60.6-177.7000110.4H84 W397 L406 M422H84-L420 PolarHBondContact NE2-O 2.68Å; W397-L420 HydrophobicContact CH2-CD1 3.91Å; W397-L420 HydrophobicContact CH2-CD2 4.32Å; W397-L420 HydrophobicContact CH2-CG 4.35Å; W397-L420 HydrophobicContact CZ2-CD1 4.21Å; W397-L420 HydrophobicContact CZ2-CD2 3.86Å; W397-L420 HydrophobicContact CZ2-CG 4.14Å; W397-L420 HydrophobicContact CZ3-CD1 4.47Å; L406-L420 HydrophobicContact CD1-CD2 4.05Å; L406-L420 HydrophobicContact CD2-CD2 3.84Å; L420-M422 PolarHBondContact O-N 2.77Å
421K85.8Confident71.5Confident85 Ų8575 Ų7537%0.3739%0.387SS..SBendtrans-64.3-24.1-175.5-172.5171-178.7172.70113.5Q85 S385 Y413Q85-K421 PolarHBondContact NE2-O 3.23Å; S385-K421 WeakPolarHBondContact OG-CB 3.33Å; S385-K421 PolarHBondContact OG-N 2.77Å; Y413-K421 HydrophobicContact CD1-CB 3.71Å; Y413-K421 HydrophobicContact CD1-CG 4.42Å; Y413-K421 HydrophobicContact CD2-CB 4.34Å; Y413-K421 HydrophobicContact CD2-CD 4.21Å; Y413-K421 HydrophobicContact CD2-CG 4.21Å; Y413-K421 VanDerWaalsContact CE1-CA 3.44Å; Y413-K421 HydrophobicContact CE1-CB 3.88Å; Y413-K421 HydrophobicContact CE1-CG 4.41Å; Y413-K421 HydrophobicContact CE2-CB 4.49Å; Y413-K421 HydrophobicContact CE2-CG 4.2Å; Y413-K421 HydrophobicContact CG-CB 3.97Å; Y413-K421 HydrophobicContact CG-CD 4.42Å; Y413-K421 HydrophobicContact CG-CG 4.33Å
422M84.1Confident68.5Low61 Ų6177.7 Ų77.730%0.342%0.419SS..SBendtrans-119.2149.7173.8-54.8-67.6-68.100109.3K81 S385 L420K81-M422 HydrophobicContact CD-CE 3.99Å; K81-M422 HydrophobicContact CD-SD 3.65Å; K81-M422 WeakPolarHBondContact CE-SD 3.48Å; K81-M422 HydrophobicContact CG-CE 4.36Å; K81-M422 HydrophobicContact CG-SD 3.92Å; S385-M422 WeakPolarHBondContact O-CB 3.49Å; S385-M422 WeakPolarHBondContact O-CG 3.36Å; S385-M422 PolarHBondContact OG-N 3.39Å; L420-M422 PolarHBondContact O-N 2.77Å
423P73.4Confident65.8Low52 Ų5280.6 Ų80.634%0.33844%0.439SS..  trans-57.7138.9170.9-2232.5000111.4H84 R425H84-P423 HydrophobicContact CB-CG 4.08Å; P423-R425 PolarHBondContact O-N 2.81Å
424T62.1Low63Low73 Ų7386.3 Ų86.345%0.44847%0.471SS..  trans-76.4122.1174-40.90000108.5L426T424-L426 HydrophobicContact CG2-CD1 3.97Å; T424-L426 HydrophobicContact CG2-CG 4.15Å; T424-L426 PolarHBondContact O-N 3.32Å
425R53.3Low60.3Low181 Ų18195.5 Ų95.568%0.68351%0.506SS*.THydrogen-bonded Turntrans-71.945.7179.3-81-179.1150.5156.6-5.7113.3P423P423-R425 PolarHBondContact O-N 2.81Å
426L42.7Very low57.3Low156 Ų156101.7 Ų101.782%0.81754%0.54SS*.THydrogen-bonded Turntrans-95.2-16.6172.4-77.9169.3000112.4T424T424-L426 HydrophobicContact CG2-CD1 3.97Å; T424-L426 HydrophobicContact CG2-CG 4.15Å; T424-L426 PolarHBondContact O-N 3.32Å
427D37.2Very low54.4Low147 Ų147105.4 Ų105.479%0.78657%0.567SS**SBendtrans-82.5136.6159.6-69.7-47.7000108.5
428G40.8Very low51.3Low71 Ų71113.2 Ų113.273%0.73261%0.606SS**SBendtrans-48159.3-154.500000118.6
429E33.1Very low48.4Very low176 Ų176118.4 Ų118.482%0.82264%0.641SS**  trans97.7102.5173.3-52.2-146.2154.600117.3
430R38.6Very low46Very low219 Ų219122.7 Ų122.783%0.82667%0.666SS**  trans-107.4130.5158.1-88-176.3177.7-170-3.5109.4
431P31.9Very low43.2Very low113 Ų113131 Ų13173%0.73470%0.704SS**  trans-97.6105.9149.51.318.5000109.9
432G29.4Very low40.7Very low70 Ų70130.3 Ų130.372%0.72272%0.721SS**  trans41173.3158.700000123.7
433P36.8Very low38.1Very low127 Ų127135.4 Ų135.483%0.82575%0.749SS**  cis-113.4155.3-14.836.1-21.9000113
434N34.7Very low36.2Very low141 Ų141138.8 Ų138.875%0.75477%0.771SS**  trans72.690.6158.6-123.8-2.5000119.4
435R35.5Very low34.6Very low217 Ų217142.4 Ų142.482%0.81979%0.787SS**  trans-13598.6140.6-112.1-177.3120.3-173.50.1108.9T437R435-T437 PolarHBondContact O-N 2.88Å; R435-T437 VanDerWaalsContact O-N 3.14Å; R435-T437 PolarHBondContact O-OG1 3.31Å
436N28.5Very low33.6Very low149 Ų149145.1 Ų145.180%0.79780%0.797SS**  trans-47.8117.1163.6-77.7-16.2000109.3
437T32.5Very low33Very low123 Ų123146.1 Ų146.176%0.75580%0.797SS**  trans-11492172.97.80000107.1R435R435-T437 PolarHBondContact O-N 2.88Å; R435-T437 VanDerWaalsContact O-N 3.14Å; R435-T437 PolarHBondContact O-OG1 3.31Å
438M28.2Very low32.8Very low178 Ų178144.7 Ų144.788%0.87780%0.799SS**  trans-145.4102.6161.7-79.3-60147.600109
439S29.1Very low32.4Very low121 Ų121145.4 Ų145.485%0.84681%0.806SS**  -164.1149.4122.9-98.20000112.9
440P38.2Very low32.2Very low102 Ų102142.1 Ų142.166%0.66280%0.802SS**  trans-95.6140.2-164.737.3-29.2000110.8
441H32.5Very low32.3Very low189 Ų189137.8 Ų137.888%0.87580%0.803SS**  trans164.3122.7138-84.4-49.2000108.5
442G31.8Very low32.9Very low71 Ų71141 Ų14173%0.73281%0.805SS**  trans-70.2149.4177.600000112.2
443L30.4Very low33.1Very low168 Ų168148.4 Ų148.488%0.8882%0.818SS**  176.8136.3127.7-88.3173.6000107.9L445L443-L445 PolarHBondContact O-N 2.68Å
444P32.4Very low33.1Very low123 Ų123146.3 Ų146.380%0.79981%0.811SS**  trans-78.9115.2179.629.2-30.2000111
445L28.2Very low33.3Very low149 Ų149146.4 Ų146.478%0.7882%0.816SS**  trans-77.2119.4175.8-160.871.8000110.4L443L443-L445 PolarHBondContact O-N 2.68Å
446R32.4Very low33.6Very low237 Ų237145.2 Ų145.289%0.89482%0.817SS**  trans-71.2128.3173-69.3-179175.1-161.5-0.8110
447H30.3Very low34.5Very low178 Ų178144.2 Ų144.282%0.82482%0.817SS**  trans-104.5109.8164.3-84-61.7000111.2
448S34.3Very low35.9Very low117 Ų117150 Ų15082%0.81883%0.825SS**  trans-104.4121.5156.2550000108.4
449G30.8Very low37.9Very low85 Ų85150.3 Ų150.388%0.87682%0.824SS**  trans161.597.8170.800000112.9
450S30.2Very low40.2Very low108 Ų108149.5 Ų149.576%0.75583%0.825SS**  trans-142.7144.4172.6176.50000109
451P40.5Very low42.4Very low128 Ų128152.6 Ų152.683%0.83183%0.828SS**  trans-115.299.8151.114.66.2000112.1
452K44.5Very low45.1Very low181 Ų181151.8 Ų151.879%0.78782%0.822SS**  trans36.9108.8133.8-56.3-178.3-176.7176.60120.9
453F33.5Very low47.9Very low225 Ų225154.5 Ų154.599%0.98782%0.819SS**  -158.735119.7-96.3-70.5000111.3
454A35.9Very low50.6Low83 Ų83153.6 Ų153.669%0.68681%0.811SS**SBendtrans-102.3116.6168.500000107.9K456A454-K456 VanDerWaalsContact C-N 3.32Å; A454-K456 PolarHBondContact O-N 2.83Å
455V39.6Very low53.1Low142 Ų142149.8 Ų149.886%0.86179%0.785SS**  trans-54.7105.8158.3176.50000104.9T457V455-T457 PolarHBondContact O-N 3.05Å
456K41.5Very low55.8Low193 Ų193146.5 Ų146.584%0.83977%0.771SS**  trans-55.2107.6179.9-79.2-179.1176.1-179.80107A454 R458A454-K456 VanDerWaalsContact C-N 3.32Å; A454-K456 PolarHBondContact O-N 2.83Å; K456-R458 PolarHBondContact O-N 3.07Å
457T48.6Very low58.1Low128 Ų128137.2 Ų137.279%0.78575%0.749SS**PPolyproline II helixtrans-53.4128.9166.138.80000106.6V455 Q459V455-T457 PolarHBondContact O-N 3.05Å; T457-Q459 PolarHBondContact O-N 3.08Å; T457-Q459 VanDerWaalsContact O-N 3.07Å
458R60.6Low60.6Low245 Ų245131.9 Ų131.993%0.92574%0.736SS**PPolyproline II helixtrans-52.7121.3173.8-72.4-177.9173.3-173.6-1.4106.8K456 A460K456-R458 PolarHBondContact O-N 3.07Å; R458-A460 PolarHBondContact O-N 3.39Å; R458-A460 VanDerWaalsContact O-N 3.14Å
459Q71.1Confident63Low183 Ų183129.7 Ų129.786%0.85572%0.718SS**PPolyproline II helixtrans-56.6121.3172.3-95.7177-22.200107.9T457T457-Q459 PolarHBondContact O-N 3.08Å; T457-Q459 VanDerWaalsContact O-N 3.07Å
460A76.6Confident65.5Low105 Ų105131.9 Ų131.987%0.86870%0.7SS**PPolyproline II helixtrans-68.8131.5170.300000108.3R458R458-A460 PolarHBondContact O-N 3.39Å; R458-A460 VanDerWaalsContact O-N 3.14Å
461F85.9Confident67.9Low166 Ų166130.2 Ų130.273%0.72868%0.682SS**  trans-138.7147.3172.771.2-84.6000109.3L463F461-L463 HydrophobicContact CD2-CB 4.09Å; F461-L463 HydrophobicContact CE2-CB 3.9Å
462F88.9Confident69.9Low172 Ų172125 Ų12575%0.75465%0.65SS**  trans-103.9130.7171174.2-105.2000108.6Q464F462-Q464 HydrophobicContact CE1-CB 3.66Å; F462-Q464 HydrophobicContact CZ-CB 3.85Å
463L88.8Confident71.9Confident128 Ų128121.7 Ų121.767%0.6763%0.632SS**  trans-125.5104.8178.8-178.571.7000110.2F461 T465F461-L463 HydrophobicContact CD2-CB 4.09Å; F461-L463 HydrophobicContact CE2-CB 3.9Å; L463-T465 HydrophobicContact CD2-CG2 4.42Å; L463-T465 HydrophobicContact CG-CG2 4.38Å
464Q89Confident74.3Confident150 Ų150117 Ų11770%0.70161%0.608SS**  trans-103.2109.5166.8-173.9172.7-5.700109.3F462 T466F462-Q464 HydrophobicContact CE1-CB 3.66Å; F462-Q464 HydrophobicContact CZ-CB 3.85Å; Q464-T466 PolarHBondContact O-N 3.49Å
465T84.3Confident76.5Confident42 Ų42115.9 Ų115.926%0.25859%0.59SS.*  trans-69.6132.9-18061.50000111L463 R470 R473L463-T465 HydrophobicContact CD2-CG2 4.42Å; L463-T465 HydrophobicContact CG-CG2 4.38Å; T465-R470 PolarHBondContact O-NH1 3.21Å; T465-R473 PolarHBondContact OG1-NH2 2.94Å
466T85Confident78.8Confident80 Ų80109.1 Ų109.149%0.49155%0.549SS..  trans-72.3161.3175.264.40000111.2Q464 A468 T469 R470Q464-T466 PolarHBondContact O-N 3.49Å; T466-A468 VanDerWaalsContact C-N 3.29Å; T466-A468 PolarHBondContact O-N 3.21Å; T466-T469 PolarHBondContact O-N 3.47Å; T466-T469 PolarHBondContact OG1-N 2.82Å; T466-T469 PolarHBondContact OG1-OG1 2.89Å; T466-T469 VanDerWaalsContact OG1-OG1 3.05Å; T466-R470 PolarHBondContact O-N 3.02Å; T466-R470 VanDerWaalsContact O-N 3.08Å
467G80.6Confident80.9Confident42 Ų42105.3 Ų105.343%0.43353%0.534SS..Hα-helixtrans-56.8-42.5174.100000112.6T469 R470 L471G467-T469 PolarHBondContact O-N 2.84Å; G467-R470 WeakPolarHBondContact O-CB 3.38Å; G467-R470 PolarHBondContact O-N 3.11Å; G467-L471 PolarHBondContact O-N 2.81Å
468A81.5Confident82.6Confident67 Ų67103.4 Ų103.455%0.55452%0.52SS*.Hα-helixtrans-58.9-45.9175.700000112.3T466 R470 L471 A472T466-A468 VanDerWaalsContact C-N 3.29Å; T466-A468 PolarHBondContact O-N 3.21Å; A468-R470 VanDerWaalsContact C-N 3.31Å; A468-R470 PolarHBondContact O-N 3Å; A468-L471 PolarHBondContact O-N 3.15Å; A468-A472 WeakPolarHBondContact O-CB 3.34Å; A468-A472 PolarHBondContact O-N 3.46Å
469T85Confident83.7Confident71 Ų7195 Ų9544%0.43649%0.492SS..Hα-helixtrans-67.5-28.4177.6-58.70000112.9T466 G467 R473T466-T469 PolarHBondContact O-N 3.47Å; T466-T469 PolarHBondContact OG1-N 2.82Å; T466-T469 PolarHBondContact OG1-OG1 2.89Å; T466-T469 VanDerWaalsContact OG1-OG1 3.05Å; G467-T469 PolarHBondContact O-N 2.84Å; T469-R473 PolarHBondContact O-NE 2.8Å
470R84.1Confident84.5Confident130 Ų13087 Ų8749%0.49146%0.455SS..Hα-helixtrans-70.7-40.3171.3-72.4-170.4-66.1-98.25.6111.8T465 T466 G467 A468T465-R470 PolarHBondContact O-NH1 3.21Å; T466-R470 PolarHBondContact O-N 3.02Å; T466-R470 VanDerWaalsContact O-N 3.08Å; G467-R470 WeakPolarHBondContact O-CB 3.38Å; G467-R470 PolarHBondContact O-N 3.11Å; A468-R470 VanDerWaalsContact C-N 3.31Å; A468-R470 PolarHBondContact O-N 3Å
471L79.8Confident85.1Confident73 Ų7389.6 Ų89.638%0.38244%0.443SS..Hα-helixtrans-72.1-41.7179.4-173.365.7000112.2G467 A468 R473 R474 L475 L506G467-L471 PolarHBondContact O-N 2.81Å; A468-L471 PolarHBondContact O-N 3.15Å; L471-R473 PolarHBondContact O-N 3.01Å; L471-R474 WeakPolarHBondContact O-CA 3.42Å; L471-R474 WeakPolarHBondContact O-CB 3.1Å; L471-R474 PolarHBondContact O-N 2.93Å; L471-L475 HydrophobicContact CD1-CG 4.39Å; L471-L475 HydrophobicContact CD2-CD1 3.99Å; L471-L475 HydrophobicContact CG-CD1 3.78Å; L471-L475 HydrophobicContact CG-CG 4.08Å; L471-L475 PolarHBondContact O-N 3.46Å; L471-L506 HydrophobicContact CD2-CD2 4.37Å
472A84.3Confident85Confident19 Ų1984.2 Ų84.216%0.15742%0.424CS..Hα-helixtrans-53.7-37.1176.300000112.7A468 R474 C476 I480 C502A468-A472 WeakPolarHBondContact O-CB 3.34Å; A468-A472 PolarHBondContact O-N 3.46Å; A472-R474 PolarHBondContact O-N 3.11Å; A472-C476 WeakPolarHBondContact O-CB 3.36Å; A472-C476 PolarHBondContact O-N 3.36Å; A472-C476 VanDerWaalsContact O-N 3.08Å; A472-I480 WeakPolarHBondContact O-CD1 3.13Å; A472-C502 WeakPolarHBondContact CA-SG 3.35Å; A472-C502 WeakPolarHBondContact CB-SG 3.4Å
473R86.4Confident84.8Confident112 Ų11285.8 Ų85.842%0.42343%0.425SS..Hα-helixtrans-63.6-20175.5-77.2-178.6-79.3175.3-4.6114.7T465 T469 L471 I480T465-R473 PolarHBondContact OG1-NH2 2.94Å; T469-R473 PolarHBondContact O-NE 2.8Å; L471-R473 PolarHBondContact O-N 3.01Å; R473-I480 HydrophobicContact CB-CD1 4.41Å; R473-I480 HydrophobicContact CG-CD1 4.13Å
474R82.9Confident84.9Confident127 Ų12784.5 Ų84.548%0.47941%0.412SS..Hα-helixtrans-99.4-43.8177.3-61.1-176.3-177.8159.32.9112.1L471 A472 C476 E477L471-R474 WeakPolarHBondContact O-CA 3.42Å; L471-R474 WeakPolarHBondContact O-CB 3.1Å; L471-R474 PolarHBondContact O-N 2.93Å; A472-R474 PolarHBondContact O-N 3.11Å; R474-C476 VanDerWaalsContact C-N 3.27Å; R474-C476 PolarHBondContact O-N 3.32Å; R474-E477 WeakPolarHBondContact O-CB 3.47Å; R474-E477 PolarHBondContact O-N 2.85Å
475L83Confident84.9Confident58 Ų5879 Ų7930%0.30439%0.387SS..Hα-helixtrans-64.8-33.6-179.9-70.8175.4000112.6L471 R505 L506L471-L475 HydrophobicContact CD1-CG 4.39Å; L471-L475 HydrophobicContact CD2-CD1 3.99Å; L471-L475 HydrophobicContact CG-CD1 3.78Å; L471-L475 HydrophobicContact CG-CG 4.08Å; L471-L475 PolarHBondContact O-N 3.46Å; L475-R505 PolarHBondContact O-NH1 3.23Å; L475-L506 HydrophobicContact CD1-CD1 3.89Å; L475-L506 HydrophobicContact CD1-CD2 4.04Å; L475-L506 HydrophobicContact CD1-CG 3.78Å
476C86.7Confident85Confident0 Ų080.9 Ų80.90%041%0.407CS..THydrogen-bonded Turntrans-107.738177.2-55.70000111.2A472 R474 D478 I479 I480 I498 C502A472-C476 WeakPolarHBondContact O-CB 3.36Å; A472-C476 PolarHBondContact O-N 3.36Å; A472-C476 VanDerWaalsContact O-N 3.08Å; R474-C476 VanDerWaalsContact C-N 3.27Å; R474-C476 PolarHBondContact O-N 3.32Å; C476-D478 VanDerWaalsContact C-OD1 3.28Å; C476-D478 WeakPolarHBondContact CA-OD1 3.46Å; C476-D478 PolarHBondContact O-N 3.12Å; C476-I479 HydrophobicContact CB-CB 4.32Å; C476-I479 HydrophobicContact CB-CD1 4.44Å; C476-I479 PolarHBondContact O-N 2.87Å; C476-I479 VanDerWaalsContact O-N 3.13Å; C476-I480 HydrophobicContact CB-CD1 4.01Å; C476-I480 HydrophobicContact CB-CG1 4.36Å; C476-I480 WeakPolarHBondContact O-CB 3.46Å; C476-I480 WeakPolarHBondContact O-CG1 3.29Å; C476-I480 PolarHBondContact O-N 3.41Å; C476-I498 HydrophobicContact CB-CG2 4.44Å; C476-C502 PolarHBondContact SG-SG 3.07Å
477E85Confident85.3Confident113 Ų11385.8 Ų85.853%0.52842%0.417SS..Hα-helixtrans-60.1-34.4-179.4-178169.1-169.800112.5R474 I479 R481 P482R474-E477 WeakPolarHBondContact O-CB 3.47Å; R474-E477 PolarHBondContact O-N 2.85Å; E477-I479 VanDerWaalsContact C-N 3.33Å; E477-I479 PolarHBondContact O-N 2.81Å; E477-R481 WeakPolarHBondContact O-CA 3.1Å; E477-R481 PolarHBondContact O-N 3.18Å; E477-P482 HydrophobicContact CG-CG 4.12Å
478D84.4Confident85.7Confident89 Ų8987.5 Ų87.548%0.47641%0.413SS..Hα-helixtrans-60.9-37.7173.758.1-39.2000113C476 R481 R505C476-D478 VanDerWaalsContact C-OD1 3.28Å; C476-D478 WeakPolarHBondContact CA-OD1 3.46Å; C476-D478 PolarHBondContact O-N 3.12Å; D478-R481 WeakPolarHBondContact O-CG 3.3Å; D478-R505 IonicContact OD1-CZ 3.74Å; D478-R505 IonicContact OD1-NH1 3.51Å; D478-R505 PolarHBondContact OD1-NH1 3.12Å; D478-R505 IonicContact OD1-NH2 3.83Å; D478-R505 IonicContact OD2-CZ 2.71Å; D478-R505 IonicContact OD2-NH1 2.68Å; D478-R505 PolarHBondContact OD2-NH1 3.27Å; D478-R505 IonicContact OD2-NH2 3.08Å; D478-R505 PolarHBondContact OD2-NH2 3.39Å
479I85Confident86Confident67 Ų6789 Ų8934%0.34442%0.418SS..Hα-helixtrans-86.4-43.4-179.9-59174.6000111.2C476 E477 I498 E501C476-I479 HydrophobicContact CB-CB 4.32Å; C476-I479 HydrophobicContact CB-CD1 4.44Å; C476-I479 PolarHBondContact O-N 2.87Å; C476-I479 VanDerWaalsContact O-N 3.13Å; E477-I479 VanDerWaalsContact C-N 3.33Å; E477-I479 PolarHBondContact O-N 2.81Å; I479-I498 HydrophobicContact CG2-CG1 4.04Å; I479-E501 HydrophobicContact CD1-CB 3.79Å; I479-E501 HydrophobicContact CD1-CG 3.6Å
480I87.5Confident86.2Confident16 Ų1696.3 Ų96.38%0.08244%0.439CS..Hα-helixtrans-76.2-30-175.5-69.1167.9000111A472 R473 C476 L485 I498A472-I480 WeakPolarHBondContact O-CD1 3.13Å; R473-I480 HydrophobicContact CB-CD1 4.41Å; R473-I480 HydrophobicContact CG-CD1 4.13Å; C476-I480 HydrophobicContact CB-CD1 4.01Å; C476-I480 HydrophobicContact CB-CG1 4.36Å; C476-I480 WeakPolarHBondContact O-CB 3.46Å; C476-I480 WeakPolarHBondContact O-CG1 3.29Å; C476-I480 PolarHBondContact O-N 3.41Å; I480-L485 HydrophobicContact CG2-CD1 4.23Å; I480-L485 WeakPolarHBondContact O-CD1 3.41Å; I480-L485 VanDerWaalsContact O-CG 3.27Å; I480-L485 WeakPolarHBondContact O-CG 3.43Å; I480-I498 HydrophobicContact CD1-CD1 3.97Å; I480-I498 HydrophobicContact CD1-CG1 4.24Å; I480-I498 HydrophobicContact CD1-CG2 3.94Å; I480-I498 HydrophobicContact CG1-CD1 3.51Å; I480-I498 HydrophobicContact CG1-CG1 3.87Å; I480-I498 HydrophobicContact CG1-CG2 4.5Å
481R88.3Confident86.4Confident160 Ų16094.1 Ų94.160%0.60444%0.436SS*.  trans44.162.3178.6-53.4179.899.3-173.98.1110.8E477 D478 R483 Y484 L485E477-R481 WeakPolarHBondContact O-CA 3.1Å; E477-R481 PolarHBondContact O-N 3.18Å; D478-R481 WeakPolarHBondContact O-CG 3.3Å; R481-R483 PolarHBondContact O-N 2.88Å; R481-Y484 WeakPolarHBondContact O-CA 3.45Å; R481-Y484 WeakPolarHBondContact O-CB 3.42Å; R481-Y484 PolarHBondContact O-N 3.27Å; R481-L485 PolarHBondContact O-N 2.9Å; R481-L485 VanDerWaalsContact O-N 3.11Å
482P84.6Confident86.7Confident52 Ų5296.2 Ų96.234%0.33845%0.454SS..Hα-helixtrans-57.2-32.9-165.419.3-31.5000113.8E477 Y484 A486E477-P482 HydrophobicContact CG-CG 4.12Å; P482-Y484 VanDerWaalsContact C-N 3.3Å; P482-Y484 PolarHBondContact O-N 3.09Å; P482-A486 WeakPolarHBondContact O-CB 2.97Å; P482-A486 PolarHBondContact O-N 3.19Å
483R85.7Confident86.9Confident205 Ų20598.6 Ų98.677%0.77447%0.467SS*.Hα-helixtrans-65.7-30.6174.2-65.5-175.8-176.2170.11.9113.6R481 R487R481-R483 PolarHBondContact O-N 2.88Å; R483-R487 PolarHBondContact O-NE 3.37Å; R483-R487 PolarHBondContact O-NH2 2.78Å
484Y89.9Confident86.9Confident101 Ų10198.1 Ų98.140%0.39647%0.473SS..Hα-helixtrans-77.3-56.3176.3179.4-100.6000109.4R481 P482 A486 R487 H488 L491R481-Y484 WeakPolarHBondContact O-CA 3.45Å; R481-Y484 WeakPolarHBondContact O-CB 3.42Å; R481-Y484 PolarHBondContact O-N 3.27Å; P482-Y484 VanDerWaalsContact C-N 3.3Å; P482-Y484 PolarHBondContact O-N 3.09Å; Y484-A486 VanDerWaalsContact C-N 3.29Å; Y484-A486 PolarHBondContact O-N 3Å; Y484-R487 PolarHBondContact O-N 3.11Å; Y484-H488 AromaticContact CD2-CD2 3.55Å; Y484-H488 AromaticContact CD2-NE2 3.73Å; Y484-H488 AromaticContact CE1-CD2 3.84Å; Y484-H488 AromaticContact CE2-CD2 3.34Å; Y484-H488 WeakPolarHBondContact CE2-CD2 3.17Å; Y484-H488 AromaticContact CE2-NE2 3.3Å; Y484-H488 VanDerWaalsContact CE2-NE2 3.3Å; Y484-H488 WeakPolarHBondContact CE2-NE2 3.37Å; Y484-H488 AromaticContact CG-CD2 3.88Å; Y484-H488 AromaticContact CZ-CD2 3.48Å; Y484-H488 VanDerWaalsContact CZ-CD2 3.48Å; Y484-H488 AromaticContact CZ-NE2 3.76Å; Y484-H488 PolarHBondContact O-CD2 2.84Å; Y484-H488 PolarHBondContact O-N 2.82Å; Y484-L491 HydrophobicContact CE1-CD2 3.65Å
485L88Confident87.1Confident34 Ų3496.4 Ų96.418%0.17848%0.476CS..Hα-helixtrans-63.5-29.3-177.9-68.8-176.7000114.2I480 R481 R487 H488 L491 V493I480-L485 HydrophobicContact CG2-CD1 4.23Å; I480-L485 WeakPolarHBondContact O-CD1 3.41Å; I480-L485 VanDerWaalsContact O-CG 3.27Å; I480-L485 WeakPolarHBondContact O-CG 3.43Å; R481-L485 PolarHBondContact O-N 2.9Å; R481-L485 VanDerWaalsContact O-N 3.11Å; L485-R487 PolarHBondContact O-N 3.14Å; L485-H488 CarbonylContact O-C 3.57Å; L485-H488 PolarHBondContact O-N 2.84Å; L485-L491 HydrophobicContact CD2-CB 4.44Å; L485-L491 HydrophobicContact CD2-CD2 4.01Å; L485-V493 HydrophobicContact CD1-CG1 4.22Å; L485-V493 HydrophobicContact CD1-CG2 3.61Å; L485-V493 HydrophobicContact CD2-CG2 4.45Å
486A87.6Confident87.3Confident83 Ų8396.8 Ų96.869%0.68649%0.488SS*.THydrogen-bonded Turntrans-61-25.7172.900000113.3P482 Y484P482-A486 WeakPolarHBondContact O-CB 2.97Å; P482-A486 PolarHBondContact O-N 3.19Å; Y484-A486 VanDerWaalsContact C-N 3.29Å; Y484-A486 PolarHBondContact O-N 3Å
487R91.9Very high87.3Confident182 Ų18298.7 Ų98.769%0.68750%0.503SS*.THydrogen-bonded Turntrans-98-5.3176.5-67.1177.9-73.5173.52113R483 Y484 L485 P489R483-R487 PolarHBondContact O-NE 3.37Å; R483-R487 PolarHBondContact O-NH2 2.78Å; Y484-R487 PolarHBondContact O-N 3.11Å; L485-R487 PolarHBondContact O-N 3.14Å; R487-P489 VanDerWaalsContact C-CD 3.48Å
488H88.7Confident87.4Confident79 Ų7994.2 Ų94.237%0.36648%0.483SS..  trans-12865.2-178.5-64.3-70.1000111.1Y484 L485 Y490 L491Y484-H488 AromaticContact CD2-CD2 3.55Å; Y484-H488 AromaticContact CD2-NE2 3.73Å; Y484-H488 AromaticContact CE1-CD2 3.84Å; Y484-H488 AromaticContact CE2-CD2 3.34Å; Y484-H488 WeakPolarHBondContact CE2-CD2 3.17Å; Y484-H488 AromaticContact CE2-NE2 3.3Å; Y484-H488 VanDerWaalsContact CE2-NE2 3.3Å; Y484-H488 WeakPolarHBondContact CE2-NE2 3.37Å; Y484-H488 AromaticContact CG-CD2 3.88Å; Y484-H488 AromaticContact CZ-CD2 3.48Å; Y484-H488 VanDerWaalsContact CZ-CD2 3.48Å; Y484-H488 AromaticContact CZ-NE2 3.76Å; Y484-H488 PolarHBondContact O-CD2 2.84Å; Y484-H488 PolarHBondContact O-N 2.82Å; L485-H488 CarbonylContact O-C 3.57Å; L485-H488 PolarHBondContact O-N 2.84Å; H488-Y490 PolarHBondContact O-N 2.94Å; H488-Y490 VanDerWaalsContact O-N 3.12Å; H488-L491 HydrophobicContact CB-CB 4.13Å; H488-L491 PolarHBondContact O-N 3.36Å; H488-L491 VanDerWaalsContact O-N 3.13Å
489P88.1Confident87.5Confident99 Ų9997.2 Ų97.264%0.64349%0.492SS*.THydrogen-bonded Turntrans-66.6-16.6-171.527.6-36.4000114.6R487R487-P489 VanDerWaalsContact C-CD 3.48Å
490Y88.3Confident87.5Confident223 Ų22396.8 Ų96.888%0.87550%0.498SS*.THydrogen-bonded Turntrans-97.9-2.9179.6-54.9-63.3000113.5H488H488-Y490 PolarHBondContact O-N 2.94Å; H488-Y490 VanDerWaalsContact O-N 3.12Å
491L89.1Confident87.4Confident85 Ų8598.8 Ų98.845%0.44551%0.507SS..SBendtrans-80.8121.9176.9-167.773.9000109.3Y484 L485 H488 V493Y484-L491 HydrophobicContact CE1-CD2 3.65Å; L485-L491 HydrophobicContact CD2-CB 4.44Å; L485-L491 HydrophobicContact CD2-CD2 4.01Å; H488-L491 HydrophobicContact CB-CB 4.13Å; H488-L491 PolarHBondContact O-N 3.36Å; H488-L491 VanDerWaalsContact O-N 3.13Å; L491-V493 PolarHBondContact O-N 2.85Å
492P86.1Confident87.2Confident116 Ų11691.8 Ų91.875%0.75348%0.483SS*.PPolyproline II helixtrans-67.4132.9-178.527.1-33.3000110.6
493V87.5Confident87.1Confident69 Ų6992.9 Ų92.942%0.41850%0.496SS..PPolyproline II helixtrans-85.6130.8176.9-173.40000109.3L485 L491 T495 I498L485-V493 HydrophobicContact CD1-CG1 4.22Å; L485-V493 HydrophobicContact CD1-CG2 3.61Å; L485-V493 HydrophobicContact CD2-CG2 4.45Å; L491-V493 PolarHBondContact O-N 2.85Å; V493-T495 VanDerWaalsContact C-N 3.3Å; V493-T495 PolarHBondContact O-N 2.87Å; V493-I498 HydrophobicContact CG1-CD1 3.33Å
494N87.1Confident87Confident103 Ų10389.6 Ų89.655%0.55149%0.493SS*.  trans-73.683.9175.7-170.1-18.1000110.8A496 A497 I498N494-A496 PolarHBondContact O-N 3.33Å; N494-A496 PolarHBondContact OD1-N 3.25Å; N494-A497 HydrophobicContact CB-CB 4.27Å; N494-A497 PolarHBondContact O-N 3.02Å; N494-A497 PolarHBondContact OD1-N 2.86Å; N494-A497 VanDerWaalsContact OD1-N 3.15Å; N494-I498 WeakPolarHBondContact O-CD1 3.15Å; N494-I498 WeakPolarHBondContact O-CG1 3.17Å; N494-I498 PolarHBondContact O-N 2.83Å
495T86.8Confident86.5Confident90 Ų9089.1 Ų89.155%0.55249%0.491SS*.Hα-helixtrans-65.9-24.5-17759.20000113.6V493 K499V493-T495 VanDerWaalsContact C-N 3.3Å; V493-T495 PolarHBondContact O-N 2.87Å; T495-K499 WeakPolarHBondContact O-CB 2.94Å; T495-K499 VanDerWaalsContact O-CG 3.23Å; T495-K499 WeakPolarHBondContact O-CG 3.44Å; T495-K499 PolarHBondContact O-N 3.44Å; T495-K499 VanDerWaalsContact O-N 3.15Å
496A86.7Confident85.7Confident66 Ų6691.1 Ų91.155%0.54550%0.501SS..Hα-helixtrans-72-47.4177.800000111.4N494 I498 K499 A500N494-A496 PolarHBondContact O-N 3.33Å; N494-A496 PolarHBondContact OD1-N 3.25Å; A496-I498 VanDerWaalsContact C-N 3.33Å; A496-I498 PolarHBondContact O-N 2.77Å; A496-K499 PolarHBondContact O-N 2.83Å; A496-A500 PolarHBondContact O-N 3.17Å
497A86.9Confident84.2Confident40 Ų4092.3 Ų92.333%0.33150%0.502SS..Hα-helixtrans-60.6-42.5176.600000111.8N494 K499 A500 E501N494-A497 HydrophobicContact CB-CB 4.27Å; N494-A497 PolarHBondContact O-N 3.02Å; N494-A497 PolarHBondContact OD1-N 2.86Å; N494-A497 VanDerWaalsContact OD1-N 3.15Å; A497-K499 VanDerWaalsContact C-N 3.35Å; A497-K499 PolarHBondContact O-N 3.39Å; A497-A500 PolarHBondContact O-N 2.87Å; A497-E501 WeakPolarHBondContact O-CB 3.18Å; A497-E501 PolarHBondContact O-N 2.74Å
498I87.4Confident82.4Confident19 Ų1990.6 Ų90.610%0.09751%0.507CS..Hα-helixtrans-62.9-41.6177.6-66.2162.9000111.4C476 I479 I480 V493 N494 A496 C502C476-I498 HydrophobicContact CB-CG2 4.44Å; I479-I498 HydrophobicContact CG2-CG1 4.04Å; I480-I498 HydrophobicContact CD1-CD1 3.97Å; I480-I498 HydrophobicContact CD1-CG1 4.24Å; I480-I498 HydrophobicContact CD1-CG2 3.94Å; I480-I498 HydrophobicContact CG1-CD1 3.51Å; I480-I498 HydrophobicContact CG1-CG1 3.87Å; I480-I498 HydrophobicContact CG1-CG2 4.5Å; V493-I498 HydrophobicContact CG1-CD1 3.33Å; N494-I498 WeakPolarHBondContact O-CD1 3.15Å; N494-I498 WeakPolarHBondContact O-CG1 3.17Å; N494-I498 PolarHBondContact O-N 2.83Å; A496-I498 VanDerWaalsContact C-N 3.33Å; A496-I498 PolarHBondContact O-N 2.77Å; I498-C502 VanDerWaalsContact O-CB 3.23Å; I498-C502 WeakPolarHBondContact O-CB 3.29Å; I498-C502 PolarHBondContact O-N 2.78Å; I498-C502 PolarHBondContact O-SG 3.42Å
499K86.1Confident80.8Confident153 Ų15396.2 Ų96.267%0.66553%0.525SS*.Hα-helixtrans-66.6-43178.8-77.5174.8179.5-176.70112T495 A496 A497 A503T495-K499 WeakPolarHBondContact O-CB 2.94Å; T495-K499 VanDerWaalsContact O-CG 3.23Å; T495-K499 WeakPolarHBondContact O-CG 3.44Å; T495-K499 PolarHBondContact O-N 3.44Å; T495-K499 VanDerWaalsContact O-N 3.15Å; A496-K499 PolarHBondContact O-N 2.83Å; A497-K499 VanDerWaalsContact C-N 3.35Å; A497-K499 PolarHBondContact O-N 3.39Å; K499-A503 PolarHBondContact O-N 3.43Å; K499-A503 VanDerWaalsContact O-N 3.09Å
500A86.1Confident79.1Confident58 Ų5896.3 Ų96.348%0.47953%0.525SS..Hα-helixtrans-63-47.617700000111.2A496 A497 A503 L504A496-A500 PolarHBondContact O-N 3.17Å; A497-A500 PolarHBondContact O-N 2.87Å; A500-A503 PolarHBondContact O-N 2.92Å; A500-L504 WeakPolarHBondContact O-CG 3.42Å; A500-L504 PolarHBondContact O-N 3.11Å; A500-L504 VanDerWaalsContact O-N 3.15Å
501E85Confident77.3Confident57 Ų5795 Ų9527%0.26652%0.524SS..Hα-helixtrans-67-39.4179.7-166.270.9-170.800112.2I479 A497 A503 L504 R505I479-E501 HydrophobicContact CD1-CB 3.79Å; I479-E501 HydrophobicContact CD1-CG 3.6Å; A497-E501 WeakPolarHBondContact O-CB 3.18Å; A497-E501 PolarHBondContact O-N 2.74Å; E501-A503 VanDerWaalsContact C-N 3.3Å; E501-A503 PolarHBondContact O-N 2.63Å; E501-L504 PolarHBondContact O-N 2.76Å; E501-R505 HydrophobicContact CG-CG 4.25Å; E501-R505 VanDerWaalsContact CG-NE 3.29Å; E501-R505 WeakPolarHBondContact O-CB 3.5Å; E501-R505 WeakPolarHBondContact O-CG 3.42Å; E501-R505 PolarHBondContact O-N 2.68Å; E501-R505 IonicContact OE1-CZ 2.84Å; E501-R505 IonicContact OE1-NE 2.82Å; E501-R505 PolarHBondContact OE1-NE 3.45Å; E501-R505 IonicContact OE1-NH2 2.87Å; E501-R505 PolarHBondContact OE1-NH2 2.95Å
502C83.8Confident75.3Confident14 Ų1499.4 Ų99.410%0.09554%0.54CS..Hα-helixtrans-58.3-43173.1-90.10000111.8A472 C476 I498 L504 R505 L506A472-C502 WeakPolarHBondContact CA-SG 3.35Å; A472-C502 WeakPolarHBondContact CB-SG 3.4Å; C476-C502 PolarHBondContact SG-SG 3.07Å; I498-C502 VanDerWaalsContact O-CB 3.23Å; I498-C502 WeakPolarHBondContact O-CB 3.29Å; I498-C502 PolarHBondContact O-N 2.78Å; I498-C502 PolarHBondContact O-SG 3.42Å; C502-L504 VanDerWaalsContact C-N 3.31Å; C502-L504 PolarHBondContact O-N 3.06Å; C502-R505 PolarHBondContact O-N 2.97Å; C502-L506 WeakPolarHBondContact O-CB 3.18Å; C502-L506 WeakPolarHBondContact O-CD1 3.21Å; C502-L506 PolarHBondContact O-N 2.82Å
503A82.1Confident73.5Confident75 Ų7599.8 Ų99.862%0.6254%0.542SS*.Hα-helixtrans-65.1-35.3179.800000112.3K499 A500 E501K499-A503 PolarHBondContact O-N 3.43Å; K499-A503 VanDerWaalsContact O-N 3.09Å; A500-A503 PolarHBondContact O-N 2.92Å; E501-A503 VanDerWaalsContact C-N 3.3Å; E501-A503 PolarHBondContact O-N 2.63Å
504L83.2Confident71.8Confident135 Ų135101.4 Ų101.471%0.70756%0.557SS**Hα-helixtrans-74.9-36.1176.9-67.5172.6000112.9A500 E501 C502 L506A500-L504 WeakPolarHBondContact O-CG 3.42Å; A500-L504 PolarHBondContact O-N 3.11Å; A500-L504 VanDerWaalsContact O-N 3.15Å; E501-L504 PolarHBondContact O-N 2.76Å; C502-L504 VanDerWaalsContact C-N 3.31Å; C502-L504 PolarHBondContact O-N 3.06Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 3.07Å
505R79.7Confident70.1Confident91 Ų91105.5 Ų105.534%0.34357%0.573SS.*SBendtrans-83.52.4-178.9-65.9-176.2-173.8-177.25.3114.1L475 D478 E501 C502 P507L475-R505 PolarHBondContact O-NH1 3.23Å; D478-R505 IonicContact OD1-CZ 3.74Å; D478-R505 IonicContact OD1-NH1 3.51Å; D478-R505 PolarHBondContact OD1-NH1 3.12Å; D478-R505 IonicContact OD1-NH2 3.83Å; D478-R505 IonicContact OD2-CZ 2.71Å; D478-R505 IonicContact OD2-NH1 2.68Å; D478-R505 PolarHBondContact OD2-NH1 3.27Å; D478-R505 IonicContact OD2-NH2 3.08Å; D478-R505 PolarHBondContact OD2-NH2 3.39Å; E501-R505 HydrophobicContact CG-CG 4.25Å; E501-R505 VanDerWaalsContact CG-NE 3.29Å; E501-R505 WeakPolarHBondContact O-CB 3.5Å; E501-R505 WeakPolarHBondContact O-CG 3.42Å; E501-R505 PolarHBondContact O-N 2.68Å; E501-R505 IonicContact OE1-CZ 2.84Å; E501-R505 IonicContact OE1-NE 2.82Å; E501-R505 PolarHBondContact OE1-NE 3.45Å; E501-R505 IonicContact OE1-NH2 2.87Å; E501-R505 PolarHBondContact OE1-NH2 2.95Å; C502-R505 PolarHBondContact O-N 2.97Å; R505-P507 WeakPolarHBondContact O-CD 3.45Å
506L70.8Confident68.7Low76 Ų76106.6 Ų106.640%0.39857%0.574SS.*  trans-116.380.5179.7-86.6159000112.2L471 L475 C502 L504L471-L506 HydrophobicContact CD2-CD2 4.37Å; L475-L506 HydrophobicContact CD1-CD1 3.89Å; L475-L506 HydrophobicContact CD1-CD2 4.04Å; L475-L506 HydrophobicContact CD1-CG 3.78Å; C502-L506 WeakPolarHBondContact O-CB 3.18Å; C502-L506 WeakPolarHBondContact O-CD1 3.21Å; C502-L506 PolarHBondContact O-N 2.82Å; L504-L506 VanDerWaalsContact C-N 3.3Å; L504-L506 PolarHBondContact O-N 3.07Å
507P56.9Low67.4Low109 Ų109112.6 Ų112.671%0.70859%0.588SS**SBendtrans-83.3-35.5171.6-12.229.3000114.1R505R505-P507 WeakPolarHBondContact O-CD 3.45Å
508D53.9Low66.2Low146 Ų146116.4 Ų116.478%0.78161%0.61SS**SBendtrans-139.3126.3-175-77-53.5000113.3P510D508-P510 WeakPolarHBondContact O-CD 3.43Å
509W55.7Low65.6Low196 Ų196121.6 Ų121.674%0.74264%0.642SS**  trans-79.1115-179.3-176.2-82000111.4K511W509-K511 PolarHBondContact O-N 2.89Å
510P52.2Low65.5Low102 Ų102123.3 Ų123.366%0.66265%0.652SS**  trans-73.4115.5162.48.75.7000107.8D508 K512D508-P510 WeakPolarHBondContact O-CD 3.43Å; P510-K512 PolarHBondContact O-N 2.88Å
511K50.7Low65.5Low196 Ų196131.3 Ų131.385%0.85267%0.67SS**SBendtrans-62.73.8178.7-72.5-178.3178.8176.20114.7W509W509-K511 PolarHBondContact O-N 2.89Å
512K46Very low65.7Low176 Ų176136.5 Ų136.577%0.76569%0.692SS**SBendtrans-132124.5170.9-73.2-179.2177.6177.50109.5P510 S514P510-K512 PolarHBondContact O-N 2.88Å; K512-S514 PolarHBondContact O-N 3.46Å
513P49.9Very low66Low124 Ų124140.1 Ų140.181%0.80572%0.715SS**PPolyproline II helixtrans-63121172.925.3-30.5000108.6Q515P513-Q515 PolarHBondContact O-N 2.82Å
514S50.1Low66.4Low104 Ų104143 Ų14373%0.72772%0.719SS**PPolyproline II helixtrans-51.4122.5172.246.80000109.1K512 L516K512-S514 PolarHBondContact O-N 3.46Å; S514-L516 PolarHBondContact O-N 3.34Å
515Q52.7Low66.9Low189 Ų189141.6 Ų141.688%0.88371%0.709SS**PPolyproline II helixtrans-54.2132.6-179.1-74.5-165.3-0.800109.7P513 K517P513-Q515 PolarHBondContact O-N 2.82Å; Q515-K517 PolarHBondContact O-N 2.95Å; Q515-K517 VanDerWaalsContact O-N 3.13Å
516L57.1Low67.5Low112 Ų112139.5 Ų139.559%0.58671%0.708SS**  trans-64.3113.1175.5-84.9161.2000108.7S514 P518S514-L516 PolarHBondContact O-N 3.34Å; L516-P518 WeakPolarHBondContact O-CD 3.37Å; L516-P518 VanDerWaalsContact O-N 3.14Å
517K58.2Low68.4Low193 Ų193139 Ų13984%0.83971%0.709SS**  trans-58.4118.3161.8-73.7-170.4177.5-1760106.9Q515 V519Q515-K517 PolarHBondContact O-N 2.95Å; Q515-K517 VanDerWaalsContact O-N 3.13Å; K517-V519 PolarHBondContact O-N 3.1Å
518P63.7Low69.9Low120 Ų120136.5 Ų136.578%0.77969%0.691SS**  trans-56.4131.4174-21.533000108.4L516 E520L516-P518 WeakPolarHBondContact O-CD 3.37Å; L516-P518 VanDerWaalsContact O-N 3.14Å; P518-E520 PolarHBondContact O-N 3.03Å; P518-E520 VanDerWaalsContact O-N 3.14Å
519V74Confident71.7Confident128 Ų128136.9 Ų136.978%0.77668%0.681SS**  trans-70.6111.4167.6177.20000106K517 R521K517-V519 PolarHBondContact O-N 3.1Å; V519-R521 PolarHBondContact O-N 3.11Å; V519-R521 VanDerWaalsContact O-N 3.12Å
520E83.3Confident73.4Confident188 Ų188134.4 Ų134.488%0.87967%0.673SS**  trans-61.3114.4175.2-165.9177.5179.200108.7P518P518-E520 PolarHBondContact O-N 3.03Å; P518-E520 VanDerWaalsContact O-N 3.14Å
521R85.9Confident75.2Confident227 Ų227134.7 Ų134.786%0.85767%0.668SS**PPolyproline II helixtrans-90.1135.7176.5-66.3-161.9-179.6-170.82.8108.6V519V519-R521 PolarHBondContact O-N 3.11Å; V519-R521 VanDerWaalsContact O-N 3.12Å
522K89.5Confident77Confident165 Ų165131.8 Ų131.872%0.71766%0.658SS**PPolyproline II helixtrans-59.4139.8172-63.4-173.1178.1-173.40109.9
523P91.4Very high79.1Confident90 Ų90126.8 Ų126.858%0.58465%0.649SS**PPolyproline II helixtrans-66155.7177.328.4-34.7000110.9E525 S526 V527P523-E525 PolarHBondContact O-N 3.44Å; P523-S526 WeakPolarHBondContact O-CB 3.23Å; P523-S526 PolarHBondContact O-N 3.4Å; P523-V527 PolarHBondContact O-N 2.87Å
524L90.4Very high81Confident135 Ų135126.2 Ų126.271%0.70764%0.636SS**Hα-helixtrans-53-40.3179.7179.461.1000111.8S526 V527 V528L524-S526 VanDerWaalsContact C-N 3.29Å; L524-S526 PolarHBondContact O-N 2.88Å; L524-V527 WeakPolarHBondContact O-CA 3.45Å; L524-V527 WeakPolarHBondContact O-CB 3.14Å; L524-V527 PolarHBondContact O-N 2.81Å; L524-V528 HydrophobicContact CD1-CG2 4.27Å; L524-V528 HydrophobicContact CG-CG2 4.22Å; L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 2.99Å
525E92.2Very high82.6Confident106 Ų106125.9 Ų125.950%0.49563%0.631SS.*Hα-helixtrans-51.5-44.2175.6-178.958.9-156.500113.1P523 V527 V528 R529P523-E525 PolarHBondContact O-N 3.44Å; E525-V527 VanDerWaalsContact C-N 3.27Å; E525-V527 PolarHBondContact O-N 3.15Å; E525-V528 PolarHBondContact O-N 3.14Å; E525-R529 PolarHBondContact O-N 3.29Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 IonicContact OE1-CZ 3.5Å; E525-R529 IonicContact OE1-NE 3.17Å; E525-R529 PolarHBondContact OE1-NE 2.97Å; E525-R529 VanDerWaalsContact OE1-NE 3.17Å; E525-R529 IonicContact OE1-NH2 2.99Å; E525-R529 PolarHBondContact OE1-NH2 3.01Å
526S92.3Very high83.8Confident47 Ų47126.3 Ų126.333%0.32962%0.624SS.*Hα-helixtrans-68-28.8177.5173.90000112.5P523 L524 Y530P523-S526 WeakPolarHBondContact O-CB 3.23Å; P523-S526 PolarHBondContact O-N 3.4Å; L524-S526 VanDerWaalsContact C-N 3.29Å; L524-S526 PolarHBondContact O-N 2.88Å; S526-Y530 WeakPolarHBondContact O-CB 3.45Å; S526-Y530 PolarHBondContact O-N 3.08Å
527V90.6Very high84.8Confident67 Ų67126.1 Ų126.141%0.40663%0.63SS.*Hα-helixtrans-77.1-41178.3-178.10000110.1P523 L524 E525 Y530 L531P523-V527 PolarHBondContact O-N 2.87Å; L524-V527 WeakPolarHBondContact O-CA 3.45Å; L524-V527 WeakPolarHBondContact O-CB 3.14Å; L524-V527 PolarHBondContact O-N 2.81Å; E525-V527 VanDerWaalsContact C-N 3.27Å; E525-V527 PolarHBondContact O-N 3.15Å; V527-Y530 WeakPolarHBondContact O-CB 3.3Å; V527-Y530 PolarHBondContact O-N 3.36Å; V527-L531 HydrophobicContact CG1-CD1 4.23Å; V527-L531 WeakPolarHBondContact O-CG 3.41Å; V527-L531 PolarHBondContact O-N 3.46Å
528V88.9Confident85.1Confident55 Ų55122.4 Ų122.433%0.33363%0.628SS.*Hα-helixtrans-60.5-51176.9174.50000110.4L524 E525 Y530 L531 E532L524-V528 HydrophobicContact CD1-CG2 4.27Å; L524-V528 HydrophobicContact CG-CG2 4.22Å; L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 2.99Å; E525-V528 PolarHBondContact O-N 3.14Å; V528-Y530 PolarHBondContact O-N 2.83Å; V528-L531 PolarHBondContact O-N 2.92Å; V528-E532 HydrophobicContact CG1-CG 4.43Å; V528-E532 WeakPolarHBondContact O-CG 3.46Å; V528-E532 PolarHBondContact O-N 2.99Å
529R90.6Very high85.1Confident154 Ų154124.2 Ų124.258%0.58162%0.624SS**Hα-helixtrans-57.7-36.6175.2-72.3-167.8-149.7146.77113.6E525 A533E525-R529 PolarHBondContact O-N 3.29Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 IonicContact OE1-CZ 3.5Å; E525-R529 IonicContact OE1-NE 3.17Å; E525-R529 PolarHBondContact OE1-NE 2.97Å; E525-R529 VanDerWaalsContact OE1-NE 3.17Å; E525-R529 IonicContact OE1-NH2 2.99Å; E525-R529 PolarHBondContact OE1-NH2 3.01Å; R529-A533 WeakPolarHBondContact O-CB 3.3Å; R529-A533 PolarHBondContact O-N 3.5Å
530Y92.4Very high84.8Confident145 Ų145123.8 Ų123.857%0.56962%0.624SS**Hα-helixtrans-66.1-40.6177.1180-88.9000111.7S526 V527 V528 A533 H534S526-Y530 WeakPolarHBondContact O-CB 3.45Å; S526-Y530 PolarHBondContact O-N 3.08Å; V527-Y530 WeakPolarHBondContact O-CB 3.3Å; V527-Y530 PolarHBondContact O-N 3.36Å; V528-Y530 PolarHBondContact O-N 2.83Å; Y530-A533 PolarHBondContact O-N 3.29Å; Y530-H534 AromaticContact CD2-CE1 3.92Å; Y530-H534 AromaticContact CD2-ND1 3.89Å; Y530-H534 AromaticContact CE2-CE1 3.62Å; Y530-H534 AromaticContact CE2-ND1 3.78Å; Y530-H534 AromaticContact CZ-ND1 3.9Å; Y530-H534 PolarHBondContact O-N 3.39Å; Y530-H534 VanDerWaalsContact O-N 3.13Å; Y530-H534 PolarHBondContact O-ND1 2.67Å
531L89.8Confident83.4Confident108 Ų108122.1 Ų122.157%0.56562%0.621SS**Hα-helixtrans-70-37.3178-69172.3000112.2V527 V528 H534V527-L531 HydrophobicContact CG1-CD1 4.23Å; V527-L531 WeakPolarHBondContact O-CG 3.41Å; V527-L531 PolarHBondContact O-N 3.46Å; V528-L531 PolarHBondContact O-N 2.92Å; L531-H534 CarbonylContact O-C 3.59Å; L531-H534 PolarHBondContact O-N 3.4Å
532E88.4Confident82.2Confident135 Ų135116.9 Ų116.963%0.63162%0.616SS**Hα-helixtrans-64.6-41.2173.6-71.2172.716900111.9V528 H534 P535V528-E532 HydrophobicContact CG1-CG 4.43Å; V528-E532 WeakPolarHBondContact O-CG 3.46Å; V528-E532 PolarHBondContact O-N 2.99Å; E532-H534 PolarHBondContact O-N 2.93Å; E532-P535 WeakPolarHBondContact O-CD 3.4Å
533A90Very high80.9Confident71 Ų71114.2 Ų114.259%0.58762%0.616SS**Hα-helixtrans-71.2-16.6175.600000113.6R529 Y530 P535R529-A533 WeakPolarHBondContact O-CB 3.3Å; R529-A533 PolarHBondContact O-N 3.5Å; Y530-A533 PolarHBondContact O-N 3.29Å; A533-P535 VanDerWaalsContact C-CD 3.46Å
534H88.8Confident78.7Confident112 Ų112116 Ų11652%0.51963%0.628SS.*SBendtrans-128.864.5-179.7-58.882.3000111.1Y530 L531 E532Y530-H534 AromaticContact CD2-CE1 3.92Å; Y530-H534 AromaticContact CD2-ND1 3.89Å; Y530-H534 AromaticContact CE2-CE1 3.62Å; Y530-H534 AromaticContact CE2-ND1 3.78Å; Y530-H534 AromaticContact CZ-ND1 3.9Å; Y530-H534 PolarHBondContact O-N 3.39Å; Y530-H534 VanDerWaalsContact O-N 3.13Å; Y530-H534 PolarHBondContact O-ND1 2.67Å; L531-H534 CarbonylContact O-C 3.59Å; L531-H534 PolarHBondContact O-N 3.4Å; E532-H534 PolarHBondContact O-N 2.93Å
535P84.9Confident76.4Confident97 Ų97121.6 Ų121.663%0.6364%0.639SS**PPolyproline II helixtrans-65.6150-177.928.9-33.9000110.7E532 A533 P537E532-P535 WeakPolarHBondContact O-CD 3.4Å; A533-P535 VanDerWaalsContact C-CD 3.46Å; P535-P537 WeakPolarHBondContact O-CD 3.38Å
536R76.8Confident73.7Confident197 Ų197120 Ų12074%0.74365%0.652SS**PPolyproline II helixtrans-66.9124.9179.6-169.9-177.1-171.71728109.6
537P77.9Confident71.3Confident109 Ų109121.9 Ų121.971%0.70868%0.678SS**PPolyproline II helixtrans-61.8140.9174.417.7-24.1000110.7P535 K539P535-P537 WeakPolarHBondContact O-CD 3.38Å; P537-K539 PolarHBondContact O-N 2.71Å
538S66.3Low68.5Low114 Ų114123.7 Ų123.780%0.79769%0.693SS**PPolyproline II helixtrans-57122.1178.452.30000110
539K63.7Low65.9Low159 Ų159128.4 Ų128.469%0.69172%0.715SS**PPolyproline II helixtrans-65.2132.9172.4-83.4-175.8174.9-1760109.1P537P537-K539 PolarHBondContact O-N 2.71Å
540P65.9Low63.3Low119 Ų119126.2 Ų126.277%0.77372%0.723SS**PPolyproline II helixtrans-63.3141.5167.124.4-30000110.1
541N54.5Low60.3Low153 Ų153126.1 Ų126.182%0.81874%0.738SS**PPolyproline II helixtrans-56.3136175-74.2-35.7000110.1
542P60Low57.5Low116 Ų116124.7 Ų124.775%0.75375%0.75SS**PPolyproline II helixtrans-64.3137.5175.726.1-31.7000109.9
543P62.3Low54.9Low109 Ų109123.9 Ų123.971%0.70876%0.759SS**PPolyproline II helixtrans-66.5152.8179.626.2-32.8000111.7R545P543-R545 PolarHBondContact O-N 2.83Å
544P46.2Very low52Low129 Ų129128.2 Ų128.284%0.83877%0.771SS**PPolyproline II helixtrans-64.2128.4177.126.4-31.4000109.9G546P544-G546 PolarHBondContact O-N 3.1Å
545R41.8Very low49.4Very low252 Ų252129.8 Ų129.895%0.95179%0.789SS**  trans-72.8111.8179.4-78.8-178.2178.9167.4-0.4110.6P543P543-R545 PolarHBondContact O-N 2.83Å
546G35.3Very low46.8Very low73 Ų73130.5 Ų130.575%0.75379%0.794SS**  trans-69.5147.9160.600000111.6P544P544-G546 PolarHBondContact O-N 3.1Å
547G42.9Very low44.6Very low86 Ų86129.3 Ų129.389%0.88780%0.8SS**  trans-75.5136.4-176.900000113.5
548S32Very low42.3Very low104 Ų104133.6 Ų133.673%0.72781%0.808SS**  trans-156.1118.6154.8-170.60000111.5
549I33.7Very low40.4Very low155 Ų155133.5 Ų133.580%0.79581%0.807SS**  trans44.6117.9135.2-49.1175.2000118.8
550S35.4Very low38.8Very low107 Ų107130.7 Ų130.775%0.74881%0.807SS**  trans-62.5127.8169.847.80000114.5
551T30.8Very low37Very low144 Ų144130.2 Ų130.288%0.88380%0.804SS**  trans-139.5138.8142.145.50000108.9
552G30.2Very low35.7Very low78 Ų78131 Ų13180%0.80481%0.807SS**  trans-82.5176.1-159.500000116.9
553S32.9Very low34.1Very low117 Ų117131.9 Ų131.982%0.81880%0.804SS**  trans78.199.8168.5-160.40000116.5
554L30.1Very low32.5Very low162 Ų162134 Ų13485%0.84881%0.81SS**  trans153.397.1138.8-80.1171.5000107.2P556L554-P556 VanDerWaalsContact O-CD 3.25Å; L554-P556 WeakPolarHBondContact O-CD 3.28Å
555T33Very low31.7Very low145 Ų145133.5 Ų133.589%0.8980%0.8SS**  trans-79.2118.8175400000110.5
556P30.8Very low31.2Very low113 Ų113124.8 Ų124.873%0.73479%0.789SS**  trans-77142.4167.5-8.727.9000109.8L554 K558L554-P556 VanDerWaalsContact O-CD 3.25Å; L554-P556 WeakPolarHBondContact O-CD 3.28Å; P556-K558 PolarHBondContact O-N 3.08Å
557I30.9Very low30.8Very low171 Ų171125.9 Ų125.988%0.87779%0.785SS**  trans-57105.3172.5-63.7167.3000108.6S559I557-S559 PolarHBondContact O-N 3.21Å
558K28.8Very low30.2Very low200 Ų200126.4 Ų126.487%0.8777%0.773SS**  trans-72.6110.1164.8-76.5-179.1177178.50107.8P556 S560P556-K558 PolarHBondContact O-N 3.08Å; K558-S560 PolarHBondContact O-N 3.08Å
559S27.8Very low30.2Very low111 Ų111128.3 Ų128.378%0.77678%0.78SS**  trans-63.6114.7157.650.60000108.1I557I557-S559 PolarHBondContact O-N 3.21Å
560S29.5Very low30.6Very low100 Ų100127.5 Ų127.570%0.69978%0.776SS**  trans-61.7145.9165.636.40000110.2K558K558-S560 PolarHBondContact O-N 3.08Å
561P28.5Very low30.5Very low110 Ų110130.4 Ų130.471%0.71478%0.782SS**  trans-64.4141.917527.7-32.2000109.9L563P561-L563 VanDerWaalsContact C-N 3.35Å; P561-L563 PolarHBondContact O-N 3.37Å
562I28.1Very low30.6Very low169 Ų169126.1 Ų126.187%0.86777%0.766SS**  trans-66.895.8170.8-62.8167.7000106.5N564I562-N564 PolarHBondContact O-N 3.32Å
563L25.8Very low31Very low134 Ų134132.7 Ų132.770%0.70277%0.773SS**  trans-73.5115.8159.2-109.3116.3000106.9P561 N565P561-L563 VanDerWaalsContact C-N 3.35Å; P561-L563 PolarHBondContact O-N 3.37Å; L563-N565 WeakPolarHBondContact CD2-OD1 3.37Å; L563-N565 PolarHBondContact O-N 3.03Å
564N28.2Very low31.1Very low155 Ų155136.3 Ų136.383%0.82977%0.768SS**  trans-71.979.8169.2-16929.5000108.3I562 G566I562-N564 PolarHBondContact O-N 3.32Å; N564-G566 VanDerWaalsContact C-N 3.35Å; N564-G566 PolarHBondContact O-N 2.97Å; N564-G566 VanDerWaalsContact O-N 3.16Å
565N29.9Very low31.1Very low118 Ų118132.2 Ų132.263%0.63175%0.754SS**  trans-81.888.1168.6-77.912.7000108.1L563 S567L563-N565 WeakPolarHBondContact CD2-OD1 3.37Å; L563-N565 PolarHBondContact O-N 3.03Å; N565-S567 VanDerWaalsContact C-N 3.29Å; N565-S567 PolarHBondContact O-N 2.86Å
566G30.3Very low31Very low69 Ų69134.8 Ų134.871%0.71175%0.749SS**  trans-62.498.7149.700000107.2N564N564-G566 VanDerWaalsContact C-N 3.35Å; N564-G566 PolarHBondContact O-N 2.97Å; N564-G566 VanDerWaalsContact O-N 3.16Å
567S26.5Very low31.3Very low96 Ų96136.8 Ų136.867%0.67175%0.748SS**  trans-69.7131.6175.6-67.90000109.6N565N565-S567 VanDerWaalsContact C-N 3.29Å; N565-S567 PolarHBondContact O-N 2.86Å
568P30.5Very low31.5Very low97 Ų97136 Ų13663%0.6374%0.741SS**  trans-59.3150.1172.1-16.728.8000110.3I570P568-I570 VanDerWaalsContact C-N 3.32Å; P568-I570 WeakPolarHBondContact O-CG1 3.29Å; P568-I570 PolarHBondContact O-N 3.17Å
569T33.4Very low31.9Very low144 Ų144132.3 Ų132.388%0.88373%0.726SS**  trans-57.394.1161.324.70000109.6L571T569-L571 VanDerWaalsContact C-N 3.25Å; T569-L571 PolarHBondContact O-N 3.35Å
570I41.3Very low32.1Very low137 Ų137131.1 Ų131.170%0.70371%0.711SS**  trans-8373.2177.5-63.7160.9000108.4P568 G572P568-I570 VanDerWaalsContact C-N 3.32Å; P568-I570 WeakPolarHBondContact O-CG1 3.29Å; P568-I570 PolarHBondContact O-N 3.17Å; I570-G572 PolarHBondContact O-N 3Å; I570-G572 VanDerWaalsContact O-N 3.1Å
571L34.1Very low32.4Very low168 Ų168130.6 Ų130.688%0.8872%0.722SS**  trans-7378147-87.8162.4000106.7T569 K573T569-L571 VanDerWaalsContact C-N 3.25Å; T569-L571 PolarHBondContact O-N 3.35Å; L571-K573 PolarHBondContact O-N 3.12Å; L571-K573 VanDerWaalsContact O-N 3.12Å
572G32Very low32.4Very low54 Ų54132.6 Ų132.656%0.55773%0.726SS**  trans-65109.7166.900000108.2I570 R574I570-G572 PolarHBondContact O-N 3Å; I570-G572 VanDerWaalsContact O-N 3.1Å; G572-R574 PolarHBondContact O-N 3.47Å
573K38.6Very low32.6Very low216 Ų216133.2 Ų133.294%0.93973%0.73SS**  trans-52.9101.7172.1-66.3-171.5178.8-175.10109.5L571L571-K573 PolarHBondContact O-N 3.12Å; L571-K573 VanDerWaalsContact O-N 3.12Å
574R35.4Very low32.7Very low193 Ų193129.6 Ų129.673%0.72873%0.725SS**  trans-114.8132.8161.5-71.3-169.2178.9-159.50.6107.4G572G572-R574 PolarHBondContact O-N 3.47Å
575S30.1Very low32.7Very low77 Ų77129.1 Ų129.154%0.53873%0.728SS.*  trans-62.9142.6178.9-165.60000110.5E577 Q578S575-E577 PolarHBondContact O-N 3.48Å; S575-E577 VanDerWaalsContact O-N 3.08Å; S575-E577 PolarHBondContact OG-OE2 3.4Å; S575-Q578 PolarHBondContact O-N 2.77Å
576Y31.4Very low32.5Very low199 Ų199133.5 Ų133.578%0.7874%0.742SS**G310 helixtrans-55.5-21.5-177-178-105.8000113.9Q578Y576-Q578 VanDerWaalsContact C-N 3.34Å; Y576-Q578 PolarHBondContact O-N 3.34Å
577E35.3Very low32.2Very low155 Ų155135.7 Ų135.772%0.72475%0.746SS**G310 helixtrans-74.3-14-175.3-70.2137.4143.800115.5S575 H579S575-E577 PolarHBondContact O-N 3.48Å; S575-E577 VanDerWaalsContact O-N 3.08Å; S575-E577 PolarHBondContact OG-OE2 3.4Å; E577-H579 VanDerWaalsContact C-N 3.34Å
578Q35.6Very low32.6Very low155 Ų155141.5 Ų141.572%0.72476%0.759SS**G310 helixtrans-85.3-3.1-178.7-74-173.8-18.500114.4S575 Y576S575-Q578 PolarHBondContact O-N 2.77Å; Y576-Q578 VanDerWaalsContact C-N 3.34Å; Y576-Q578 PolarHBondContact O-N 3.34Å
579H37.9Very low32.4Very low121 Ų121141.4 Ų141.456%0.5677%0.767SS**SBendtrans-93.3-24.8-174-133.6-138.5000114.6E577E577-H579 VanDerWaalsContact C-N 3.34Å
580N31.1Very low32.2Very low87 Ų87143 Ų14347%0.46577%0.769SS.*  trans-115.8103.8-174.6-71.1-18.7000111L582N580-L582 VanDerWaalsContact C-N 3.3Å; N580-L582 PolarHBondContact O-N 3.35Å
581G35.9Very low31.4Very low89 Ų89142.6 Ų142.692%0.91877%0.773SS**  trans-65.187.3167.600000111
582L28.6Very low31Very low152 Ų152139.9 Ų139.980%0.79677%0.766SS**  trans-99.896.9164.3-82.7162000108.4N580 G584N580-L582 VanDerWaalsContact C-N 3.3Å; N580-L582 PolarHBondContact O-N 3.35Å; L582-G584 VanDerWaalsContact C-N 3.34Å; L582-G584 PolarHBondContact O-N 3.2Å; L582-G584 VanDerWaalsContact O-N 3.08Å
583D31.8Very low30.7Very low181 Ų181145.4 Ų145.497%0.96878%0.777SS**  trans-68.195.9157.3-84.9-37.8000107.8
584G28Very low30Very low58 Ų58146.5 Ų146.560%0.59878%0.775SS**  trans-133.7118.7173.700000109.8L582 K586L582-G584 VanDerWaalsContact C-N 3.34Å; L582-G584 PolarHBondContact O-N 3.2Å; L582-G584 VanDerWaalsContact O-N 3.08Å; G584-K586 PolarHBondContact O-N 3.14Å
585T28.9Very low29.7Very low145 Ų145142.6 Ų142.689%0.8977%0.769SS**  trans-45.8123177.145.30000112.5S587T585-S587 PolarHBondContact O-N 3.29Å
586K26.1Very low29.7Very low211 Ų211146.2 Ų146.292%0.91778%0.781SS**  trans-69.3108178.2-66.2-175.9178.7-174.90110.9G584G584-K586 PolarHBondContact O-N 3.14Å
587S24.1Very low29.3Very low114 Ų114146 Ų14680%0.79779%0.789SS**  trans-83.5133.8153.8-83.10000109.3T585 A589T585-S587 PolarHBondContact O-N 3.29Å; S587-A589 PolarHBondContact O-N 3.18Å
588K33.9Very low28.9Very low219 Ų219143 Ų14395%0.95279%0.79SS**  trans-53119.3176.2-72.5174.5174.61780110.4
589A25.8Very low28.6Very low95 Ų95145 Ų14579%0.78580%0.797SS**  trans-146.7137.9159.400000109.1S587S587-A589 PolarHBondContact O-N 3.18Å
590L29.7Very low28Very low177 Ų177150.4 Ų150.493%0.92781%0.812SS**PPolyproline II helixtrans-64.7130.2-167.3-68.4128.4000112.4
591T24.3Very low27.8Very low129 Ų129152.8 Ų152.879%0.79183%0.83SS**PPolyproline II helixtrans-93139.7158.638.60000109.9Q593T591-Q593 PolarHBondContact O-N 3.18Å
592P25.6Very low27.5Very low111 Ų111153.6 Ų153.672%0.72182%0.821SS**PPolyproline II helixtrans-74.1126.2-175.2-5.522.8000110.7W594P592-W594 PolarHBondContact O-N 3.38Å
593Q26.3Very low27.4Very low170 Ų170154.4 Ų154.479%0.79483%0.826SS**  trans-81.3102.2174.5-175.1172.37.800109T591 D595T591-Q593 PolarHBondContact O-N 3.18Å; Q593-D595 HydrophobicContact CG-CB 4.3Å; Q593-D595 PolarHBondContact O-N 3.36Å
594W25.2Very low27.2Very low239 Ų239150.4 Ų150.491%0.90582%0.818SS**  trans-88.386.8161.5-74.393000108P592P592-W594 PolarHBondContact O-N 3.38Å
595D27.9Very low27.2Very low110 Ų110151.4 Ų151.459%0.58883%0.829SS**  trans-138.2117.9163.5-94.1-36.7000109.6Q593Q593-D595 HydrophobicContact CG-CB 4.3Å; Q593-D595 PolarHBondContact O-N 3.36Å
596I29.6Very low27.2Very low154 Ų154156.1 Ų156.179%0.7983%0.83SS**  trans59.483.3133.2-50.3166.4000114.8
597M24.6Very low27.6Very low195 Ų195151.1 Ų151.196%0.96182%0.82SS**  trans-113.599.6155.8-87.1-160.8167.200110.1
598A25.8Very low27.7Very low91 Ų91151.2 Ų151.275%0.75282%0.82SS**  trans-158.173.2154.200000110.1
599K29Very low27.4Very low196 Ų196145.2 Ų145.285%0.85281%0.811SS**SBendtrans-170.2129.4144-112.3171-176.3175.30112.1
600R26.5Very low27.5Very low235 Ų235145.7 Ų145.789%0.88781%0.809SS**  trans85.586.7163.3-60-171.4-145.4-166.15.4117.6
601V26.9Very low27.4Very low138 Ų138144.3 Ų144.384%0.83680%0.802SS**  -63.5133.4129.3175.10000108.3
602S28.7Very low27.5Very low106 Ų106145.9 Ų145.974%0.74180%0.8SS**  trans153.991.1147.1-79.20000109
603D26.6Very low27.7Very low168 Ų168146.9 Ų146.990%0.89880%0.8SS**  167.8148.498.4-122.5-30.3000111.3
604A28.6Very low27.9Very low97 Ų97148.2 Ų148.280%0.80281%0.806SS**  trans-94.5146.8-176.300000112.1
605G27.7Very low28.2Very low80 Ų80143.8 Ų143.883%0.82580%0.799SS**  trans158102.3162.500000116.9
606R27.4Very low28.2Very low243 Ų243145.9 Ų145.992%0.91781%0.805SS**  trans-44.6179.2165.8-81.1179.5171.3-171.8-1.3116.5
607P35.1Very low28.2Very low106 Ų106145.7 Ų145.769%0.68880%0.8SS**  cis-138.9172-48.841.1-23000114.4
608S26.9Very low28.4Very low116 Ų116143.2 Ų143.281%0.81179%0.79SS**  trans20.4122.6152.463.70000123.3
609A27.1Very low29Very low93 Ų93150.3 Ų150.377%0.76982%0.815SS**  trans-170.1108.9143.600000108.5
610S27.2Very low29Very low106 Ų106148 Ų14874%0.74181%0.813SS**  67.911597.472.40000117.6
611L28.2Very low29.1Very low148 Ų148143.4 Ų143.478%0.77581%0.81SS**  trans65.8130.5135.6-76.8157.5000122.2
612Q27.5Very low29.3Very low161 Ų161143.7 Ų143.775%0.75281%0.808SS**  trans66.6152.1148.1-68.9176.5-44.200116.3
613D28.8Very low29.3Very low133 Ų133145.9 Ų145.971%0.71181%0.812SS**  cis-172.7137.5-15.2-107.2-3300099.6
614E30.8Very low29.5Very low198 Ų198144.6 Ų144.693%0.92581%0.807SS**  trans172.3146.2135.9-98.4-177.716500113
615I30.4Very low29.5Very low146 Ų146147.7 Ų147.775%0.74981%0.807SS**  trans-100143.4-172.3-62.6163.5000107.6
616H28.5Very low29.6Very low154 Ų154152.6 Ų152.671%0.71381%0.806SS**  trans159.5108.2138.2-92.158.9000108.1
617E29.3Very low29.8Very low150 Ų150145.6 Ų145.670%0.70180%0.797SS**  91.5116.889.6-90.1-162.5156.900113.6
618L30.4Very low29.4Very low142 Ų142148.9 Ų148.974%0.74381%0.806SS**  trans59.8105.2137.4-60162.9000119.3
619D37.5Very low29.6Very low240 Ų240151.9 Ų151.9100%1.28381%0.806SS**  -157.3094.9-110.9-16.5000110.9

Retrieved 619 of 619 residues in 150.4 ms (Link to these results)

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