A0A077Z0E4_TRITR Loading...

Transmembrane protein 129

AlphaFold DB , UniProt , Accession A0A077Z0E4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 357 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
1M55.2Low71.1Confident173 Ų17395.1 Ų95.185%0.85255%0.546SS*.  0-49.30-149.6152.348.300110.7A3 V4 T5 V81M1-A3 PolarHBondContact O-N 3.3Å; M1-V4 PolarHBondContact O-N 3.41Å; M1-T5 PolarHBondContact O-N 3.29Å; M1-T5 PolarHBondContact O-OG1 2.76Å; M1-T5 VanDerWaalsContact O-OG1 3.12Å; M1-V81 HydrophobicContact SD-CG1 4.08Å
2E63.6Low71.2Confident162 Ų16287.3 Ų87.376%0.75750%0.502SS*.Hα-helixtrans-56.9-40.6177.2-63.8-168.8157.200115.3V4 T5 V6E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 2.94Å; E2-T5 VanDerWaalsContact CA-OG1 3.3Å; E2-T5 WeakPolarHBondContact CA-OG1 3.49Å; E2-T5 PolarHBondContact O-N 2.88Å; E2-T5 PolarHBondContact O-OG1 3.06Å; E2-V6 WeakPolarHBondContact O-CB 3.48Å; E2-V6 WeakPolarHBondContact O-CG2 3.47Å; E2-V6 PolarHBondContact O-N 3.31Å
3A70.2Confident71.6Confident73 Ų7387.2 Ų87.260%0.60350%0.497SS*.Hα-helixtrans-63.9-36.6178.800000112.6M1 V7M1-A3 PolarHBondContact O-N 3.3Å; A3-V7 WeakPolarHBondContact O-CB 3.17Å; A3-V7 WeakPolarHBondContact O-CG2 3.43Å; A3-V7 PolarHBondContact O-N 2.96Å
4V71Confident72.2Confident96 Ų9691.9 Ų91.958%0.58250%0.503SS*.Hα-helixtrans-72.3-43.6-179.6179.40000110.3M1 E2 V6 V7 C8M1-V4 PolarHBondContact O-N 3.41Å; E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 2.94Å; V4-V6 PolarHBondContact O-N 3.4Å; V4-V7 PolarHBondContact O-N 3.42Å; V4-C8 WeakPolarHBondContact O-CB 3.18Å; V4-C8 PolarHBondContact O-N 3Å; V4-C8 PolarHBondContact O-SG 3.34Å
5T68.8Low72.4Confident54 Ų5490.7 Ų90.733%0.33150%0.495SS..Hα-helixtrans-61.9-42.4175.235.30000111.9M1 E2 C8 F9 L78M1-T5 PolarHBondContact O-N 3.29Å; M1-T5 PolarHBondContact O-OG1 2.76Å; M1-T5 VanDerWaalsContact O-OG1 3.12Å; E2-T5 VanDerWaalsContact CA-OG1 3.3Å; E2-T5 WeakPolarHBondContact CA-OG1 3.49Å; E2-T5 PolarHBondContact O-N 2.88Å; E2-T5 PolarHBondContact O-OG1 3.06Å; T5-C8 PolarHBondContact O-N 3.11Å; T5-F9 VanDerWaalsContact O-CB 3.31Å; T5-F9 WeakPolarHBondContact O-CB 3.47Å; T5-F9 PolarHBondContact O-N 3.03Å; T5-L78 HydrophobicContact CG2-CD1 4.14Å; T5-L78 HydrophobicContact CG2-CD2 3.69Å; T5-L78 HydrophobicContact CG2-CG 4.43Å
6V72.8Confident72.6Confident104 Ų10486.6 Ų86.663%0.6347%0.473SS*.Hα-helixtrans-63.6-44.2176.9171.90000111.5E2 V4 F9 G10E2-V6 WeakPolarHBondContact O-CB 3.48Å; E2-V6 WeakPolarHBondContact O-CG2 3.47Å; E2-V6 PolarHBondContact O-N 3.31Å; V4-V6 PolarHBondContact O-N 3.4Å; V6-F9 PolarHBondContact O-N 3.33Å; V6-G10 PolarHBondContact O-N 3.25Å
7V77.1Confident72.8Confident90 Ų9086.4 Ų86.455%0.54547%0.474SS..Hα-helixtrans-64.2-45.4177.6170.30000111.2A3 V4 F9 G10 L11A3-V7 WeakPolarHBondContact O-CB 3.17Å; A3-V7 WeakPolarHBondContact O-CG2 3.43Å; A3-V7 PolarHBondContact O-N 2.96Å; V4-V7 PolarHBondContact O-N 3.42Å; V7-F9 VanDerWaalsContact C-N 3.33Å; V7-F9 PolarHBondContact O-N 3.19Å; V7-G10 PolarHBondContact O-N 2.72Å; V7-L11 HydrophobicContact CG1-CD1 4.18Å; V7-L11 WeakPolarHBondContact O-CB 3.44Å; V7-L11 PolarHBondContact O-N 2.74Å
8C71.9Confident72.8Confident44 Ų4482.3 Ų82.330%0.29745%0.452SS..Hα-helixtrans-60.4-43.5176.3-72.70000111.6V4 T5 L11 S12V4-C8 WeakPolarHBondContact O-CB 3.18Å; V4-C8 PolarHBondContact O-N 3Å; V4-C8 PolarHBondContact O-SG 3.34Å; T5-C8 PolarHBondContact O-N 3.11Å; C8-L11 PolarHBondContact O-N 3.44Å; C8-S12 PolarHBondContact O-N 2.81Å; C8-S12 PolarHBondContact O-OG 3.03Å
9F73.7Confident72.7Confident117 Ų11779.8 Ų79.851%0.51344%0.438SS..Hα-helixtrans-65.2-43.1179-160.8-101.6000112T5 V6 V7 L11 S12 I13T5-F9 VanDerWaalsContact O-CB 3.31Å; T5-F9 WeakPolarHBondContact O-CB 3.47Å; T5-F9 PolarHBondContact O-N 3.03Å; V6-F9 PolarHBondContact O-N 3.33Å; V7-F9 VanDerWaalsContact C-N 3.33Å; V7-F9 PolarHBondContact O-N 3.19Å; F9-L11 PolarHBondContact O-N 3.07Å; F9-S12 VanDerWaalsContact C-OG 3.25Å; F9-S12 VanDerWaalsContact CA-OG 3.23Å; F9-S12 WeakPolarHBondContact CA-OG 3.31Å; F9-S12 PolarHBondContact O-N 3.4Å; F9-S12 PolarHBondContact O-OG 3.22Å; F9-I13 HydrophobicContact CD1-CD1 3.8Å; F9-I13 HydrophobicContact CD1-CG1 4.47Å; F9-I13 HydrophobicContact CE1-CD1 3.61Å; F9-I13 HydrophobicContact CE1-CG1 4.35Å; F9-I13 PolarHBondContact O-N 3.19Å; F9-I13 VanDerWaalsContact O-N 3.1Å
10G77.9Confident72.6Confident40 Ų4079.7 Ų79.741%0.41244%0.437SS..Hα-helixtrans-60.6-43.8174.300000112.7V6 V7 S12 I13 W14V6-G10 PolarHBondContact O-N 3.25Å; V7-G10 PolarHBondContact O-N 2.72Å; G10-S12 PolarHBondContact O-N 3.4Å; G10-I13 PolarHBondContact O-N 3.27Å; G10-W14 PolarHBondContact O-N 3.25Å
11L79.7Confident72.5Confident93 Ų9386.1 Ų86.149%0.48746%0.455SS..Hα-helixtrans-61.9-40.1175.2-102.8155.7000112.3V7 C8 F9 W14 L15V7-L11 HydrophobicContact CG1-CD1 4.18Å; V7-L11 WeakPolarHBondContact O-CB 3.44Å; V7-L11 PolarHBondContact O-N 2.74Å; C8-L11 PolarHBondContact O-N 3.44Å; F9-L11 PolarHBondContact O-N 3.07Å; L11-W14 PolarHBondContact O-N 2.82Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 PolarHBondContact O-N 2.86Å
12S73.1Confident73.2Confident1 Ų180.1 Ų80.11%0.00743%0.429CS..Hα-helixtrans-62.4-46.3174.822.90000113.2C8 F9 G10 W14 L15 I16 I74C8-S12 PolarHBondContact O-N 2.81Å; C8-S12 PolarHBondContact O-OG 3.03Å; F9-S12 VanDerWaalsContact C-OG 3.25Å; F9-S12 VanDerWaalsContact CA-OG 3.23Å; F9-S12 WeakPolarHBondContact CA-OG 3.31Å; F9-S12 PolarHBondContact O-N 3.4Å; F9-S12 PolarHBondContact O-OG 3.22Å; G10-S12 PolarHBondContact O-N 3.4Å; S12-W14 PolarHBondContact O-N 3.49Å; S12-L15 PolarHBondContact O-N 3.47Å; S12-I16 WeakPolarHBondContact O-CB 3.11Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.28Å; S12-I16 PolarHBondContact O-N 3Å; S12-I74 VanDerWaalsContact CB-CD1 3.42Å
13I75.8Confident73.6Confident87 Ų8774.9 Ų74.945%0.44641%0.409SS..Hα-helixtrans-60.7-43.4178.9-67.6173000109.1F9 G10 I16 V17F9-I13 HydrophobicContact CD1-CD1 3.8Å; F9-I13 HydrophobicContact CD1-CG1 4.47Å; F9-I13 HydrophobicContact CE1-CD1 3.61Å; F9-I13 HydrophobicContact CE1-CG1 4.35Å; F9-I13 PolarHBondContact O-N 3.19Å; F9-I13 VanDerWaalsContact O-N 3.1Å; G10-I13 PolarHBondContact O-N 3.27Å; I13-I16 PolarHBondContact O-N 3.46Å; I13-V17 HydrophobicContact CG2-CG2 4.3Å; I13-V17 WeakPolarHBondContact O-CB 3.2Å; I13-V17 WeakPolarHBondContact O-CG2 3.2Å; I13-V17 PolarHBondContact O-N 3.5Å
14W80.2Confident73.6Confident152 Ų15280.5 Ų80.558%0.57641%0.414SS*.Hα-helixtrans-60.5-46.9176.3-175.383.4000112.2G10 L11 S12 I16 V17 C18G10-W14 PolarHBondContact O-N 3.25Å; L11-W14 PolarHBondContact O-N 2.82Å; S12-W14 PolarHBondContact O-N 3.49Å; W14-I16 PolarHBondContact O-N 3.33Å; W14-V17 PolarHBondContact O-N 3.4Å; W14-C18 VanDerWaalsContact CZ2-SG 3.58Å; W14-C18 WeakPolarHBondContact O-CB 3.48Å; W14-C18 PolarHBondContact O-N 2.86Å; W14-C18 PolarHBondContact O-SG 2.97Å
15L75.9Confident73.8Confident74 Ų7482.3 Ų82.339%0.38742%0.416SS..Hα-helixtrans-61.3-42.9177.3-114.7150.5000112.4L11 S12 C18 L19 I70L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 PolarHBondContact O-N 2.86Å; S12-L15 PolarHBondContact O-N 3.47Å; L15-C18 PolarHBondContact O-N 3.32Å; L15-L19 HydrophobicContact CD2-CD1 4.01Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CD1 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.28Å; L15-L19 PolarHBondContact O-N 3.26Å; L15-I70 HydrophobicContact CD2-CD1 4.47Å
16I74.2Confident73.9Confident26 Ų2682.3 Ų82.313%0.13341%0.414CS..Hα-helixtrans-62.6-47.3175.7-68.5165.6000109.7S12 I13 W14 C18 L19 L20 A67 L71S12-I16 WeakPolarHBondContact O-CB 3.11Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.28Å; S12-I16 PolarHBondContact O-N 3Å; I13-I16 PolarHBondContact O-N 3.46Å; W14-I16 PolarHBondContact O-N 3.33Å; I16-C18 VanDerWaalsContact C-N 3.32Å; I16-C18 PolarHBondContact O-N 2.85Å; I16-L19 PolarHBondContact O-N 2.85Å; I16-L19 VanDerWaalsContact O-N 3.15Å; I16-L20 HydrophobicContact CG2-CD1 3.73Å; I16-L20 HydrophobicContact CG2-CG 4.2Å; I16-L20 WeakPolarHBondContact O-CB 3.5Å; I16-L20 WeakPolarHBondContact O-CG 3.22Å; I16-L20 PolarHBondContact O-N 3.46Å; I16-A67 HydrophobicContact CD1-CB 4.32Å; I16-A67 HydrophobicContact CG1-CB 4.17Å; I16-A67 HydrophobicContact CG2-CB 4.08Å; I16-L71 HydrophobicContact CD1-CD1 4.26Å; I16-L71 HydrophobicContact CD1-CD2 3.92Å; I16-L71 HydrophobicContact CD1-CG 3.91Å
17V76.4Confident73.8Confident83 Ų8379.6 Ų79.650%0.50340%0.402SS..Hα-helixtrans-60.1-43.6177.1170.10000111I13 W14 L19 L20 R21I13-V17 HydrophobicContact CG2-CG2 4.3Å; I13-V17 WeakPolarHBondContact O-CB 3.2Å; I13-V17 WeakPolarHBondContact O-CG2 3.2Å; I13-V17 PolarHBondContact O-N 3.5Å; W14-V17 PolarHBondContact O-N 3.4Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.44Å; V17-L20 PolarHBondContact O-N 2.62Å; V17-R21 PolarHBondContact O-N 3.12Å
18C73.2Confident73.6Confident12 Ų1280 Ų808%0.08141%0.41CS..Hα-helixtrans-64.8-32.3176.2-73.40000112.8W14 L15 I16 R21 P22 L26W14-C18 VanDerWaalsContact CZ2-SG 3.58Å; W14-C18 WeakPolarHBondContact O-CB 3.48Å; W14-C18 PolarHBondContact O-N 2.86Å; W14-C18 PolarHBondContact O-SG 2.97Å; L15-C18 PolarHBondContact O-N 3.32Å; I16-C18 VanDerWaalsContact C-N 3.32Å; I16-C18 PolarHBondContact O-N 2.85Å; C18-R21 CarbonylContact O-C 3.53Å; C18-R21 VanDerWaalsContact O-C 3.25Å; C18-P22 WeakPolarHBondContact O-CA 3.42Å; C18-L26 HydrophobicContact CB-CD1 3.97Å
19L70.2Confident73.6Confident35 Ų3581.7 Ų81.718%0.18342%0.421CS..Hα-helixtrans-79.6-34176.2-74.7158.4000112.3L15 I16 V17 V33 I66 I70L15-L19 HydrophobicContact CD2-CD1 4.01Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CD1 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.28Å; L15-L19 PolarHBondContact O-N 3.26Å; I16-L19 PolarHBondContact O-N 2.85Å; I16-L19 VanDerWaalsContact O-N 3.15Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 3.44Å; L19-V33 VanDerWaalsContact O-CG2 3.31Å; L19-V33 WeakPolarHBondContact O-CG2 3.41Å; L19-I66 HydrophobicContact CD1-CG2 3.75Å; L19-I70 HydrophobicContact CD1-CD1 3.43Å; L19-I70 VanDerWaalsContact CD1-CD1 3.43Å
20L70.7Confident73.4Confident78 Ų7878.1 Ų78.141%0.40842%0.418SS..Hα-helixtrans-71.6-36175.9-66.9176.8000112.2I16 V17 Q63I16-L20 HydrophobicContact CG2-CD1 3.73Å; I16-L20 HydrophobicContact CG2-CG 4.2Å; I16-L20 WeakPolarHBondContact O-CB 3.5Å; I16-L20 WeakPolarHBondContact O-CG 3.22Å; I16-L20 PolarHBondContact O-N 3.46Å; V17-L20 PolarHBondContact O-N 2.62Å; L20-Q63 HydrophobicContact CD2-CB 3.6Å; L20-Q63 HydrophobicContact CD2-CG 3.73Å
21R70.8Confident72.9Confident215 Ų21583.2 Ų83.281%0.81143%0.429SS*.SBendtrans-139.188.9173.2-84.1-169.6179.6167.12.2109.8V17 C18 P23V17-R21 PolarHBondContact O-N 3.12Å; C18-R21 CarbonylContact O-C 3.53Å; C18-R21 VanDerWaalsContact O-C 3.25Å; R21-P23 WeakPolarHBondContact O-CD 2.94Å
22P70.1Confident72.8Confident47 Ų4780 Ų8031%0.30541%0.414SS..  trans-61.7127.8178.722.4-30.9000110.5C18 L26 A27C18-P22 WeakPolarHBondContact O-CA 3.42Å; P22-L26 HydrophobicContact CB-CB 4.19Å; P22-A27 HydrophobicContact CB-CB 4.33Å; P22-A27 HydrophobicContact CG-CB 4.48Å
23P73Confident73Confident52 Ų5280.4 Ų80.434%0.33842%0.417SS..  trans-60.1156.5163.329.3-34.2000108.5R21 E25 L26 A27R21-P23 WeakPolarHBondContact O-CD 2.94Å; P23-E25 WeakPolarHBondContact CB-OE2 3.49Å; P23-E25 PolarHBondContact O-N 2.91Å; P23-L26 HydrophobicContact CG-CB 4.19Å; P23-L26 HydrophobicContact CG-CD1 3.72Å; P23-L26 HydrophobicContact CG-CG 4.36Å; P23-L26 PolarHBondContact O-N 3.1Å; P23-A27 PolarHBondContact O-N 2.83Å
24R69.7Low73.1Confident190 Ų19079.4 Ų79.472%0.71741%0.412SS*.Hα-helixtrans-56.4-28.8-169.3-70.6179.1169.6-179.8-5.8112.9A27 S28R24-A27 PolarHBondContact O-N 3.35Å; R24-S28 WeakPolarHBondContact O-CB 3.35Å; R24-S28 PolarHBondContact O-N 2.91Å; R24-S28 PolarHBondContact O-OG 3.09Å
25E75.1Confident73.1Confident134 Ų13474.3 Ų74.363%0.62640%0.402SS*.Hα-helixtrans-73.3-35.7-177-59.567.5-155.400111.5P23 S28 S29P23-E25 WeakPolarHBondContact CB-OE2 3.49Å; P23-E25 PolarHBondContact O-N 2.91Å; E25-S28 PolarHBondContact O-OG 3.28Å; E25-S29 PolarHBondContact O-N 2.64Å
26L70.7Confident73.3Confident55 Ų5575 Ų7529%0.28841%0.406SS..Hα-helixtrans-80.7-33.9171.4-88.3158.3000111.3C18 P22 P23 S28 S29 F31C18-L26 HydrophobicContact CB-CD1 3.97Å; P22-L26 HydrophobicContact CB-CB 4.19Å; P23-L26 HydrophobicContact CG-CB 4.19Å; P23-L26 HydrophobicContact CG-CD1 3.72Å; P23-L26 HydrophobicContact CG-CG 4.36Å; P23-L26 PolarHBondContact O-N 3.1Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S29 PolarHBondContact O-N 3.08Å; L26-S29 PolarHBondContact O-OG 2.79Å; L26-F31 HydrophobicContact CD2-CB 4.1Å; L26-F31 PolarHBondContact O-N 3.06Å
27A70.5Confident73.7Confident46 Ų4673.8 Ų73.838%0.3840%0.4SS..Hα-helixtrans-65-38.2174.300000111.7P22 P23 R24 G30P22-A27 HydrophobicContact CB-CB 4.33Å; P22-A27 HydrophobicContact CG-CB 4.48Å; P23-A27 PolarHBondContact O-N 2.83Å; R24-A27 PolarHBondContact O-N 3.35Å; A27-G30 PolarHBondContact O-N 2.92Å
28S72Confident74.1Confident100 Ų10077.4 Ų77.470%0.69941%0.409SS*.Hα-helixtrans-72-27.2178.7620000113.4R24 E25 L26 G30R24-S28 WeakPolarHBondContact O-CB 3.35Å; R24-S28 PolarHBondContact O-N 2.91Å; R24-S28 PolarHBondContact O-OG 3.09Å; E25-S28 PolarHBondContact O-OG 3.28Å; L26-S28 VanDerWaalsContact C-N 3.33Å; S28-G30 PolarHBondContact O-N 3.25Å
29S72.2Confident74.6Confident78 Ų7883.6 Ų83.655%0.54544%0.44SS..THydrogen-bonded Turntrans-78-0.3174.466.50000113.7E25 L26 F31E25-S29 PolarHBondContact O-N 2.64Å; L26-S29 PolarHBondContact O-N 3.08Å; L26-S29 PolarHBondContact O-OG 2.79Å; S29-F31 VanDerWaalsContact C-N 3.27Å; S29-F31 PolarHBondContact O-N 2.92Å
30G69.6Low75.2Confident42 Ų4288.7 Ų88.743%0.43346%0.461SS..THydrogen-bonded Turntrans83.8-2.4179.900000114.1A27 S28 S32 A35A27-G30 PolarHBondContact O-N 2.92Å; S28-G30 PolarHBondContact O-N 3.25Å; G30-S32 VanDerWaalsContact C-N 3.28Å; G30-S32 PolarHBondContact O-N 3.06Å; G30-A35 WeakPolarHBondContact O-CB 3.5Å
31F68.7Low76Confident147 Ų14786 Ų8665%0.64545%0.447SS*.  trans-78.978.1173.5-109.3-89000110.3L26 S29L26-F31 HydrophobicContact CD2-CB 4.1Å; L26-F31 PolarHBondContact O-N 3.06Å; S29-F31 VanDerWaalsContact C-N 3.27Å; S29-F31 PolarHBondContact O-N 2.92Å
32S76.8Confident76.7Confident27 Ų2777.8 Ų77.819%0.18942%0.422CS..SBendtrans-133.6149.2172.665.20000111.2G30 D34 A35G30-S32 VanDerWaalsContact C-N 3.28Å; G30-S32 PolarHBondContact O-N 3.06Å; S32-D34 PolarHBondContact O-N 3.29Å; S32-A35 WeakPolarHBondContact O-CB 3.29Å; S32-A35 PolarHBondContact O-N 3.18Å; S32-A35 PolarHBondContact OG-N 2.67Å
33V76.4Confident77.6Confident9 Ų980.2 Ų80.26%0.05543%0.432CS..Hα-helixtrans-56.3-31.4173176.90000110.8L19 A35 L36 L37 I59 V62 Q63L19-V33 VanDerWaalsContact O-CG2 3.31Å; L19-V33 WeakPolarHBondContact O-CG2 3.41Å; V33-A35 VanDerWaalsContact C-N 3.27Å; V33-A35 PolarHBondContact O-N 2.9Å; V33-L36 PolarHBondContact O-N 2.93Å; V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.16Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 2.74Å; V33-I59 HydrophobicContact CG1-CG1 4.2Å; V33-V62 HydrophobicContact CG1-CG1 3.99Å; V33-Q63 HydrophobicContact CG1-CG 4.04Å; V33-Q63 HydrophobicContact CG2-CG 3.97Å
34D78.7Confident78.4Confident66 Ų6679.7 Ų79.735%0.35343%0.426SS..Hα-helixtrans-61.4-33.4175-70.5-37.2000112.4S32 L37 K38 R55S32-D34 PolarHBondContact O-N 3.29Å; D34-L37 PolarHBondContact O-N 3.49Å; D34-K38 WeakPolarHBondContact O-CG 3.32Å; D34-K38 PolarHBondContact O-N 2.76Å; D34-K38 VanDerWaalsContact O-N 3.09Å; D34-R55 IonicContact OD1-CZ 3.17Å; D34-R55 VanDerWaalsContact OD1-CZ 3.22Å; D34-R55 IonicContact OD1-NE 2.92Å; D34-R55 PolarHBondContact OD1-NE 3.49Å; D34-R55 IonicContact OD1-NH2 3.33Å; D34-R55 PolarHBondContact OD1-NH2 3.09Å; D34-R55 IonicContact OD2-NH2 2.83Å; D34-R55 PolarHBondContact OD2-NH2 3.33Å
35A79.4Confident79.3Confident44 Ų4475.9 Ų75.936%0.36441%0.411SS..Hα-helixtrans-67.4-39175.900000112.4G30 S32 V33 K38G30-A35 WeakPolarHBondContact O-CB 3.5Å; S32-A35 WeakPolarHBondContact O-CB 3.29Å; S32-A35 PolarHBondContact O-N 3.18Å; S32-A35 PolarHBondContact OG-N 2.67Å; V33-A35 VanDerWaalsContact C-N 3.27Å; V33-A35 PolarHBondContact O-N 2.9Å; A35-K38 PolarHBondContact O-N 2.62Å
36L80.1Confident80Confident90 Ų9076.2 Ų76.247%0.47141%0.41SS..Hα-helixtrans-68.2-41.4174.6-70.6170.7000111.4V33 K38 L39 I66V33-L36 PolarHBondContact O-N 2.93Å; L36-K38 PolarHBondContact O-N 3.25Å; L36-L39 PolarHBondContact O-N 3.39Å; L36-I66 HydrophobicContact CD1-CD1 3.59Å
37L83.9Confident81Confident0 Ų074.8 Ų74.80%041%0.405CS..Hα-helixtrans-65.6-27.3179.6-72.1171.3000112.7V33 D34 L39 F40 L41 R55 L58 I59 V62V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.16Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 2.74Å; D34-L37 PolarHBondContact O-N 3.49Å; L37-L39 PolarHBondContact O-N 3.43Å; L37-F40 PolarHBondContact O-N 3.16Å; L37-L41 HydrophobicContact CB-CD1 3.58Å; L37-L41 HydrophobicContact CB-CG 4.15Å; L37-L41 WeakPolarHBondContact O-CB 3.1Å; L37-L41 WeakPolarHBondContact O-CG 3.48Å; L37-L41 PolarHBondContact O-N 3.48Å; L37-R55 HydrophobicContact CD1-CG 4.26Å; L37-L58 HydrophobicContact CD2-CB 3.44Å; L37-L58 VanDerWaalsContact CD2-CB 3.44Å; L37-L58 HydrophobicContact CD2-CD1 4.43Å; L37-I59 HydrophobicContact CD1-CB 4.04Å; L37-I59 HydrophobicContact CD1-CD1 4.43Å; L37-I59 HydrophobicContact CD1-CG1 4.09Å; L37-V62 HydrophobicContact CD2-CB 4.36Å; L37-V62 HydrophobicContact CD2-CG2 3.86Å
38K84.1Confident82.1Confident158 Ų15872.6 Ų72.669%0.68739%0.387SS*.THydrogen-bonded Turntrans-55.9-23.4175.8-80.8177.1-177.7-176.10114.1D34 A35 L36 F40D34-K38 WeakPolarHBondContact O-CG 3.32Å; D34-K38 PolarHBondContact O-N 2.76Å; D34-K38 VanDerWaalsContact O-N 3.09Å; A35-K38 PolarHBondContact O-N 2.62Å; L36-K38 PolarHBondContact O-N 3.25Å; K38-F40 VanDerWaalsContact C-N 3.28Å; K38-F40 PolarHBondContact O-N 3.05Å
39L83.4Confident83.1Confident143 Ų14368 Ų6875%0.74935%0.354SS*.THydrogen-bonded Turntrans-69.1-27.5175.4-65.3172.9000112.9L36 L37L36-L39 PolarHBondContact O-N 3.39Å; L37-L39 PolarHBondContact O-N 3.43Å
40F82.8Confident84Confident142 Ų14270.2 Ų70.262%0.62335%0.351SS*.THydrogen-bonded Turntrans-106.5-23.6-177.8-59-77.6000112.6L37 K38 L58L37-F40 PolarHBondContact O-N 3.16Å; K38-F40 VanDerWaalsContact C-N 3.28Å; K38-F40 PolarHBondContact O-N 3.05Å; F40-L58 HydrophobicContact CB-CD1 3.7Å; F40-L58 HydrophobicContact CG-CD1 4.45Å
41L87.6Confident85.1Confident20 Ų2069.1 Ų69.111%0.10533%0.334CS..SBendtrans-85.3138-176.2-66175000111.6L37 W54 R55 L58L37-L41 HydrophobicContact CB-CD1 3.58Å; L37-L41 HydrophobicContact CB-CG 4.15Å; L37-L41 WeakPolarHBondContact O-CB 3.1Å; L37-L41 WeakPolarHBondContact O-CG 3.48Å; L37-L41 PolarHBondContact O-N 3.48Å; L41-W54 HydrophobicContact CD2-CB 3.58Å; L41-R55 HydrophobicContact CD1-CB 3.87Å; L41-R55 HydrophobicContact CD1-CG 4.03Å; L41-R55 HydrophobicContact CD2-CB 3.87Å; L41-R55 VanDerWaalsContact CD2-N 3.33Å; L41-L58 HydrophobicContact CD2-CD1 4.41Å
42C86.3Confident86.2Confident43 Ų4362.3 Ų62.329%0.29131%0.305SS..PPolyproline II helixtrans-64.1163.3166.9-600000110.6E44 R50 H51C42-E44 PolarHBondContact O-N 2.85Å; C42-R50 PolarHBondContact SG-NH2 2.87Å; C42-H51 PolarHBondContact O-ND1 3.42Å
43D88.5Confident86.8Confident98 Ų9861.3 Ų61.352%0.52430%0.297SS..PPolyproline II helixtrans-60.4125.4174.8-168.7-8.6000111R45 K46 S47D43-R45 PolarHBondContact O-N 3.08Å; D43-R45 PolarHBondContact OD1-N 3.46Å; D43-K46 HydrophobicContact CB-CB 4.42Å; D43-K46 HydrophobicContact CB-CD 4.43Å; D43-K46 HydrophobicContact CB-CG 4.32Å; D43-K46 PolarHBondContact O-N 3.21Å; D43-S47 PolarHBondContact O-N 3.38Å
44E89.6Confident87.4Confident42 Ų4265.5 Ų65.520%0.19631%0.312CS..THydrogen-bonded Turntrans-57.1-32.9-179.2-168.7-166.3144.800110.8C42 F48 Y142 R157C42-E44 PolarHBondContact O-N 2.85Å; E44-F48 HydrophobicContact CG-CD2 4.01Å; E44-F48 HydrophobicContact CG-CE2 4.5Å; E44-F48 WeakPolarHBondContact O-CA 3.39Å; E44-F48 PolarHBondContact O-N 3.24Å; E44-Y142 HydrophobicContact CG-CE1 4.3Å; E44-Y142 PolarHBondContact OE1-OH 3.23Å; E44-R157 VanDerWaalsContact CD-NH1 3.26Å; E44-R157 IonicContact OE1-NH1 3.12Å; E44-R157 PolarHBondContact OE1-NH1 3.41Å; E44-R157 IonicContact OE2-NH1 3.63Å; E44-R157 PolarHBondContact OE2-NH1 3.41Å
45R89.9Confident87.8Confident110 Ų11063.5 Ų63.542%0.41530%0.3SS..THydrogen-bonded Turntrans-72.3-34.5-177.9-170.5175.4-176.9-164.6-3.4113.5D43 E143D43-R45 PolarHBondContact O-N 3.08Å; D43-R45 PolarHBondContact OD1-N 3.46Å; R45-E143 PolarHBondContact NE-O 3.43Å; R45-E143 PolarHBondContact NH2-O 2.86Å
46K89.4Confident88.2Confident140 Ų14062 Ų6261%0.60929%0.286SS*.THydrogen-bonded Turntrans-86.8-31.5-174.6-68.3-174.8178-178.60113.4D43D43-K46 HydrophobicContact CB-CB 4.42Å; D43-K46 HydrophobicContact CB-CD 4.43Å; D43-K46 HydrophobicContact CB-CG 4.32Å; D43-K46 PolarHBondContact O-N 3.21Å
47S91.3Very high88.5Confident25 Ų2558.1 Ų58.118%0.17527%0.266CS..  trans-147.776-178.8-52.90000109.3D43 R50 H51 D139D43-S47 PolarHBondContact O-N 3.38Å; S47-R50 PolarHBondContact O-N 3.41Å; S47-H51 WeakPolarHBondContact O-CB 3.34Å; S47-H51 PolarHBondContact O-N 2.85Å; S47-D139 WeakPolarHBondContact CA-OD2 3.33Å
48F92.9Very high88.5Confident0 Ų059.9 Ų59.90%028%0.276CS..Hα-helixtrans-59.1-49.7-175175.4-95.8000111.7E44 H51 H52 I138 D139 Y142 V166 V168 V173 L175E44-F48 HydrophobicContact CG-CD2 4.01Å; E44-F48 HydrophobicContact CG-CE2 4.5Å; E44-F48 WeakPolarHBondContact O-CA 3.39Å; E44-F48 PolarHBondContact O-N 3.24Å; F48-H51 WeakPolarHBondContact O-CB 3.28Å; F48-H51 PolarHBondContact O-N 2.6Å; F48-H52 AromaticContact CD2-CD2 3.64Å; F48-H52 AromaticContact CD2-NE2 3.76Å; F48-H52 AromaticContact CE1-CD2 3.8Å; F48-H52 AromaticContact CE2-CD2 3.26Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.35Å; F48-H52 AromaticContact CE2-NE2 3.1Å; F48-H52 WeakPolarHBondContact CE2-NE2 3.33Å; F48-H52 AromaticContact CZ-CD2 3.32Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.41Å; F48-H52 AromaticContact CZ-NE2 3.45Å; F48-H52 WeakPolarHBondContact CZ-NE2 3.42Å; F48-H52 PolarHBondContact O-CD2 3.18Å; F48-H52 VanDerWaalsContact O-CD2 3.25Å; F48-H52 PolarHBondContact O-N 3.36Å; F48-I138 HydrophobicContact CD1-CG2 4.25Å; F48-D139 WeakPolarHBondContact CA-OD1 3.2Å; F48-D139 WeakPolarHBondContact CB-OD1 3.37Å; F48-D139 PolarHBondContact N-OD1 2.79Å; F48-Y142 HydrophobicContact CB-CD1 3.78Å; F48-Y142 HydrophobicContact CB-CE1 4.27Å; F48-Y142 HydrophobicContact CB-CG 3.94Å; F48-Y142 AromaticContact CD2-CD1 3.81Å; F48-Y142 HydrophobicContact CD2-CD1 3.81Å; F48-Y142 AromaticContact CD2-CD2 3.95Å; F48-Y142 HydrophobicContact CD2-CD2 3.95Å; F48-Y142 AromaticContact CD2-CE1 3.5Å; F48-Y142 HydrophobicContact CD2-CE1 3.5Å; F48-Y142 VanDerWaalsContact CD2-CE1 3.5Å; F48-Y142 AromaticContact CD2-CE2 3.66Å; F48-Y142 HydrophobicContact CD2-CE2 3.66Å; F48-Y142 HydrophobicContact CD2-CG 4.01Å; F48-Y142 AromaticContact CD2-CZ 3.41Å; F48-Y142 VanDerWaalsContact CD2-CZ 3.41Å; F48-Y142 HydrophobicContact CE2-CD2 4.34Å; F48-Y142 HydrophobicContact CE2-CE1 4.25Å; F48-Y142 AromaticContact CE2-CE2 3.76Å; F48-Y142 HydrophobicContact CE2-CE2 3.76Å; F48-Y142 AromaticContact CE2-CZ 3.69Å; F48-Y142 HydrophobicContact CG-CD1 4.05Å; F48-Y142 HydrophobicContact CG-CD2 4.16Å; F48-Y142 HydrophobicContact CG-CE1 4.21Å; F48-Y142 HydrophobicContact CG-CE2 4.33Å; F48-Y142 HydrophobicContact CG-CG 4.01Å; F48-V166 HydrophobicContact CE1-CG1 3.83Å; F48-V166 HydrophobicContact CE2-CG1 4.48Å; F48-V166 HydrophobicContact CZ-CG1 3.49Å; F48-V166 VanDerWaalsContact CZ-CG1 3.49Å; F48-V168 HydrophobicContact CE2-CG2 4.32Å; F48-V168 HydrophobicContact CZ-CG2 4.01Å; F48-V173 HydrophobicContact CE1-CG1 4.14Å; F48-V173 HydrophobicContact CZ-CG1 4.17Å; F48-L175 HydrophobicContact CE1-CD2 4.21Å
49I93.4Very high88.6Confident3 Ų353 Ų532%0.01525%0.246CC..Hα-helixtrans-63.8-48.5-178.5-62.6-62.1000110.6H51 H52 L53 V120 L124 A135 I138 D139 L175I49-H51 VanDerWaalsContact C-N 3.33Å; I49-H51 PolarHBondContact O-N 2.92Å; I49-H52 PolarHBondContact O-N 3.08Å; I49-H52 VanDerWaalsContact O-N 3.16Å; I49-L53 HydrophobicContact CG2-CD1 4.01Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 2.98Å; I49-V120 HydrophobicContact CD1-CG1 4.42Å; I49-L124 HydrophobicContact CD1-CD1 4.38Å; I49-L124 HydrophobicContact CG2-CD1 4.09Å; I49-A135 HydrophobicContact CB-CB 4.02Å; I49-A135 HydrophobicContact CG1-CB 3.89Å; I49-A135 HydrophobicContact CG2-CB 3.85Å; I49-I138 HydrophobicContact CD1-CD1 4.33Å; I49-I138 HydrophobicContact CD1-CG2 4.05Å; I49-I138 HydrophobicContact CG1-CB 4.37Å; I49-I138 HydrophobicContact CG1-CG2 4.21Å; I49-D139 PolarHBondContact N-OD1 3.39Å; I49-L175 HydrophobicContact CD1-CD1 3.66Å
50R91.2Very high88.5Confident125 Ų12549.1 Ų49.147%0.47223%0.226SC..Hα-helixtrans-62.7-41.1179.7-170.7167.267.5133.6-2.2111.8C42 S47 H52 L53 W54C42-R50 PolarHBondContact SG-NH2 2.87Å; S47-R50 PolarHBondContact O-N 3.41Å; R50-H52 VanDerWaalsContact C-N 3.32Å; R50-H52 PolarHBondContact O-N 3.32Å; R50-L53 PolarHBondContact O-N 3.05Å; R50-W54 PolarHBondContact O-N 2.91Å; R50-W54 VanDerWaalsContact O-N 3.08Å
51H92Very high88.4Confident19 Ų1943.1 Ų43.19%0.08820%0.201CC..Hα-helixtrans-55.1-48.9173.8178.297.6000110.7C42 S47 F48 I49 W54 R55C42-H51 PolarHBondContact O-ND1 3.42Å; S47-H51 WeakPolarHBondContact O-CB 3.34Å; S47-H51 PolarHBondContact O-N 2.85Å; F48-H51 WeakPolarHBondContact O-CB 3.28Å; F48-H51 PolarHBondContact O-N 2.6Å; I49-H51 VanDerWaalsContact C-N 3.33Å; I49-H51 PolarHBondContact O-N 2.92Å; H51-W54 PolarHBondContact O-N 2.72Å; H51-R55 WeakPolarHBondContact O-CB 3.37Å; H51-R55 PolarHBondContact O-N 2.99Å
52H91.3Very high88.1Confident4 Ų443.6 Ų43.62%0.01921%0.205CC..Hα-helixtrans-73.3-30.4-178-79-68.7000114.6F48 I49 R50 T56 V173F48-H52 AromaticContact CD2-CD2 3.64Å; F48-H52 AromaticContact CD2-NE2 3.76Å; F48-H52 AromaticContact CE1-CD2 3.8Å; F48-H52 AromaticContact CE2-CD2 3.26Å; F48-H52 WeakPolarHBondContact CE2-CD2 3.35Å; F48-H52 AromaticContact CE2-NE2 3.1Å; F48-H52 WeakPolarHBondContact CE2-NE2 3.33Å; F48-H52 AromaticContact CZ-CD2 3.32Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.41Å; F48-H52 AromaticContact CZ-NE2 3.45Å; F48-H52 WeakPolarHBondContact CZ-NE2 3.42Å; F48-H52 PolarHBondContact O-CD2 3.18Å; F48-H52 VanDerWaalsContact O-CD2 3.25Å; F48-H52 PolarHBondContact O-N 3.36Å; I49-H52 PolarHBondContact O-N 3.08Å; I49-H52 VanDerWaalsContact O-N 3.16Å; R50-H52 VanDerWaalsContact C-N 3.32Å; R50-H52 PolarHBondContact O-N 3.32Å; H52-T56 WeakPolarHBondContact O-CB 3.26Å; H52-T56 PolarHBondContact O-N 3.42Å; H52-T56 PolarHBondContact O-OG1 2.81Å; H52-V173 HydrophobicContact CB-CG2 3.79Å; H52-V173 WeakPolarHBondContact ND1-CG2 3.42Å
53L90.5Very high87.8Confident7 Ų743 Ų434%0.03720%0.198CC..Hα-helixtrans-61-53170.8-71.5171.9000110.8I49 R50 R55 T56 C57 W115 H118 V120 V121 W131I49-L53 HydrophobicContact CG2-CD1 4.01Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 2.98Å; R50-L53 PolarHBondContact O-N 3.05Å; L53-R55 VanDerWaalsContact C-N 3.35Å; L53-R55 PolarHBondContact O-N 3.36Å; L53-T56 PolarHBondContact O-N 2.76Å; L53-C57 PolarHBondContact O-N 3.05Å; L53-C57 VanDerWaalsContact O-N 3.08Å; L53-W115 HydrophobicContact CB-CE3 4.1Å; L53-W115 HydrophobicContact CB-CZ3 4.03Å; L53-W115 HydrophobicContact CD1-CD2 4.4Å; L53-W115 HydrophobicContact CD1-CG 4.44Å; L53-W115 HydrophobicContact CD2-CE3 4.08Å; L53-W115 HydrophobicContact CG-CE3 4.49Å; L53-H118 HydrophobicContact CD2-CB 4.15Å; L53-H118 VanDerWaalsContact CD2-ND1 3.34Å; L53-H118 WeakPolarHBondContact CD2-ND1 3.27Å; L53-V120 HydrophobicContact CD2-CB 4.31Å; L53-V121 HydrophobicContact CD1-CG2 4.49Å; L53-V121 HydrophobicContact CD2-CG2 3.83Å; L53-W131 HydrophobicContact CD1-CH2 4.31Å; L53-W131 HydrophobicContact CD1-CZ3 4.17Å
54W88.2Confident87.4Confident96 Ų9639.6 Ų39.636%0.36418%0.181SC..Hα-helixtrans-64.8-39.6178.3-81.299.9000112.2L41 R50 H51 T56 C57 L58 W115L41-W54 HydrophobicContact CD2-CB 3.58Å; R50-W54 PolarHBondContact O-N 2.91Å; R50-W54 VanDerWaalsContact O-N 3.08Å; H51-W54 PolarHBondContact O-N 2.72Å; W54-T56 VanDerWaalsContact C-N 3.32Å; W54-T56 PolarHBondContact O-N 3.2Å; W54-C57 WeakPolarHBondContact O-CB 3.35Å; W54-C57 PolarHBondContact O-N 2.93Å; W54-L58 HydrophobicContact CE3-CD1 4.09Å; W54-L58 HydrophobicContact CE3-CG 4.27Å; W54-L58 WeakPolarHBondContact O-CB 3.45Å; W54-L58 VanDerWaalsContact O-CG 3.28Å; W54-L58 WeakPolarHBondContact O-CG 3.45Å; W54-L58 PolarHBondContact O-N 3.15Å; W54-W115 HydrophobicContact CD2-CH2 4.34Å; W54-W115 HydrophobicContact CZ2-CZ2 4.28Å
55R88.6Confident87Confident24 Ų2440 Ų409%0.09119%0.189CC..Hα-helixtrans-61.4-42.1177.8-176164.8173.7-90.13.1111.4D34 L37 L41 H51 L53 C57 L58 I59 G170D34-R55 IonicContact OD1-CZ 3.17Å; D34-R55 VanDerWaalsContact OD1-CZ 3.22Å; D34-R55 IonicContact OD1-NE 2.92Å; D34-R55 PolarHBondContact OD1-NE 3.49Å; D34-R55 IonicContact OD1-NH2 3.33Å; D34-R55 PolarHBondContact OD1-NH2 3.09Å; D34-R55 IonicContact OD2-NH2 2.83Å; D34-R55 PolarHBondContact OD2-NH2 3.33Å; L37-R55 HydrophobicContact CD1-CG 4.26Å; L41-R55 HydrophobicContact CD1-CB 3.87Å; L41-R55 HydrophobicContact CD1-CG 4.03Å; L41-R55 HydrophobicContact CD2-CB 3.87Å; L41-R55 VanDerWaalsContact CD2-N 3.33Å; H51-R55 WeakPolarHBondContact O-CB 3.37Å; H51-R55 PolarHBondContact O-N 2.99Å; L53-R55 VanDerWaalsContact C-N 3.35Å; L53-R55 PolarHBondContact O-N 3.36Å; R55-C57 VanDerWaalsContact C-N 3.34Å; R55-L58 PolarHBondContact O-N 3.08Å; R55-I59 WeakPolarHBondContact O-CB 3.36Å; R55-I59 VanDerWaalsContact O-CG2 3.29Å; R55-I59 WeakPolarHBondContact O-CG2 3.43Å; R55-I59 PolarHBondContact O-N 3.41Å; R55-G170 PolarHBondContact NH1-O 2.84Å
56T87Confident86.5Confident13 Ų1336.4 Ų36.48%0.0818%0.178CC..Hα-helixtrans-68.2-34.7178.1-51.50000112.1H52 L53 W54 W110 H118 S171H52-T56 WeakPolarHBondContact O-CB 3.26Å; H52-T56 PolarHBondContact O-N 3.42Å; H52-T56 PolarHBondContact O-OG1 2.81Å; L53-T56 PolarHBondContact O-N 2.76Å; W54-T56 VanDerWaalsContact C-N 3.32Å; W54-T56 PolarHBondContact O-N 3.2Å; T56-W110 HydrophobicContact CG2-CH2 4.09Å; T56-W110 HydrophobicContact CG2-CZ3 4.09Å; T56-H118 VanDerWaalsContact CB-NE2 3.26Å; T56-H118 WeakPolarHBondContact CB-NE2 3.47Å; T56-H118 WeakPolarHBondContact CG2-NE2 3.45Å; T56-S171 PolarHBondContact OG1-O 3.31Å
57C85.6Confident86Confident8 Ų830.6 Ų30.65%0.05416%0.156CC..Hα-helixtrans-63.9-46.8170.8-92.80000112.8L53 W54 R55 P61 W110 W115L53-C57 PolarHBondContact O-N 3.05Å; L53-C57 VanDerWaalsContact O-N 3.08Å; W54-C57 WeakPolarHBondContact O-CB 3.35Å; W54-C57 PolarHBondContact O-N 2.93Å; R55-C57 VanDerWaalsContact C-N 3.34Å; C57-P61 WeakPolarHBondContact O-CD 3.48Å; C57-P61 WeakPolarHBondContact O-CG 3.12Å; C57-W110 VanDerWaalsContact SG-CE3 3.53Å; C57-W115 WeakPolarHBondContact SG-CZ3 3.16Å
58L85.5Confident85.4Confident38 Ų3830 Ų3020%0.19915%0.151CC..Hα-helixtrans-90.2-24.7-166.7-67.3173.5000113.8L37 F40 L41 W54 R55 L60 P61 V62L37-L58 HydrophobicContact CD2-CB 3.44Å; L37-L58 VanDerWaalsContact CD2-CB 3.44Å; L37-L58 HydrophobicContact CD2-CD1 4.43Å; F40-L58 HydrophobicContact CB-CD1 3.7Å; F40-L58 HydrophobicContact CG-CD1 4.45Å; L41-L58 HydrophobicContact CD2-CD1 4.41Å; W54-L58 HydrophobicContact CE3-CD1 4.09Å; W54-L58 HydrophobicContact CE3-CG 4.27Å; W54-L58 WeakPolarHBondContact O-CB 3.45Å; W54-L58 VanDerWaalsContact O-CG 3.28Å; W54-L58 WeakPolarHBondContact O-CG 3.45Å; W54-L58 PolarHBondContact O-N 3.15Å; R55-L58 PolarHBondContact O-N 3.08Å; L58-L60 PolarHBondContact O-N 3.49Å; L58-P61 VanDerWaalsContact C-CD 3.42Å; L58-P61 WeakPolarHBondContact O-CD 3.03Å; L58-P61 VanDerWaalsContact O-CG 3.3Å; L58-P61 WeakPolarHBondContact O-CG 3.32Å; L58-V62 VanDerWaalsContact O-CB 3.29Å; L58-V62 WeakPolarHBondContact O-CB 3.22Å; L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 3.15Å
59I84.5Confident84.8Confident14 Ų1435.2 Ų35.27%0.07218%0.178CC..Hα-helixtrans-63-45.9-174.3-165.7162000112.7V33 L37 R55 Q63V33-I59 HydrophobicContact CG1-CG1 4.2Å; L37-I59 HydrophobicContact CD1-CB 4.04Å; L37-I59 HydrophobicContact CD1-CD1 4.43Å; L37-I59 HydrophobicContact CD1-CG1 4.09Å; R55-I59 WeakPolarHBondContact O-CB 3.36Å; R55-I59 VanDerWaalsContact O-CG2 3.29Å; R55-I59 WeakPolarHBondContact O-CG2 3.43Å; R55-I59 PolarHBondContact O-N 3.41Å; I59-Q63 HydrophobicContact CG1-CG 4.33Å; I59-Q63 WeakPolarHBondContact O-CB 3.41Å; I59-Q63 WeakPolarHBondContact O-CG 3.28Å; I59-Q63 PolarHBondContact O-N 3.22Å
60L81.2Confident84Confident61 Ų6136.5 Ų36.532%0.31919%0.185SC..Hα-helixtrans-64.4-50.5178-69.4176.1000112.9L58 V62 Q63 S64 I103L58-L60 PolarHBondContact O-N 3.49Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 3.01Å; L60-Q63 PolarHBondContact O-N 3.31Å; L60-S64 WeakPolarHBondContact O-CB 3.34Å; L60-S64 PolarHBondContact O-N 3.49Å; L60-S64 PolarHBondContact O-OG 2.83Å; L60-S64 VanDerWaalsContact O-OG 3.12Å; L60-I103 HydrophobicContact CB-CD1 4.45Å; L60-I103 HydrophobicContact CB-CG2 4.04Å
61P81.3Confident83.2Confident15 Ų1533 Ų3310%0.09718%0.175CC..Hα-helixtrans-64.8-36.8-179.720.6-28.1000111.7C57 L58 S65 I103C57-P61 WeakPolarHBondContact O-CD 3.48Å; C57-P61 WeakPolarHBondContact O-CG 3.12Å; L58-P61 VanDerWaalsContact C-CD 3.42Å; L58-P61 WeakPolarHBondContact O-CD 3.03Å; L58-P61 VanDerWaalsContact O-CG 3.3Å; L58-P61 WeakPolarHBondContact O-CG 3.32Å; P61-S65 VanDerWaalsContact O-CB 3.24Å; P61-S65 WeakPolarHBondContact O-CB 3.18Å; P61-S65 PolarHBondContact O-N 2.86Å; P61-S65 PolarHBondContact O-OG 2.92Å; P61-I103 HydrophobicContact CB-CG2 3.6Å; P61-I103 HydrophobicContact CG-CG2 3.77Å
62V82.2Confident82.5Confident30 Ų3037.2 Ų37.218%0.18219%0.191CC..Hα-helixtrans-65.4-47.7175.4171.60000110.8V33 L37 L58 L60 S64 S65 I66V33-V62 HydrophobicContact CG1-CG1 3.99Å; L37-V62 HydrophobicContact CD2-CB 4.36Å; L37-V62 HydrophobicContact CD2-CG2 3.86Å; L58-V62 VanDerWaalsContact O-CB 3.29Å; L58-V62 WeakPolarHBondContact O-CB 3.22Å; L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 3.15Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 3.01Å; V62-S64 PolarHBondContact O-N 3.4Å; V62-S65 PolarHBondContact O-N 3.1Å; V62-I66 HydrophobicContact CG1-CD1 3.72Å; V62-I66 HydrophobicContact CG1-CG1 4.45Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.29Å; V62-I66 PolarHBondContact O-N 3.35Å
63Q79.5Confident81.7Confident32 Ų3240.5 Ų40.515%0.1521%0.211CC..Hα-helixtrans-60-45.7177.4-80.1-178.9-3200112.3L20 V33 I59 L60 I66 A67L20-Q63 HydrophobicContact CD2-CB 3.6Å; L20-Q63 HydrophobicContact CD2-CG 3.73Å; V33-Q63 HydrophobicContact CG1-CG 4.04Å; V33-Q63 HydrophobicContact CG2-CG 3.97Å; I59-Q63 HydrophobicContact CG1-CG 4.33Å; I59-Q63 WeakPolarHBondContact O-CB 3.41Å; I59-Q63 WeakPolarHBondContact O-CG 3.28Å; I59-Q63 PolarHBondContact O-N 3.22Å; L60-Q63 PolarHBondContact O-N 3.31Å; Q63-I66 PolarHBondContact O-N 3.43Å; Q63-A67 WeakPolarHBondContact O-CB 3.39Å; Q63-A67 PolarHBondContact O-N 2.89Å
64S81Confident80.8Confident25 Ų2542 Ų4218%0.17522%0.218CC..Hα-helixtrans-63.3-42.3176.4-68.50000112L60 V62 A67 L68 I103L60-S64 WeakPolarHBondContact O-CB 3.34Å; L60-S64 PolarHBondContact O-N 3.49Å; L60-S64 PolarHBondContact O-OG 2.83Å; L60-S64 VanDerWaalsContact O-OG 3.12Å; V62-S64 PolarHBondContact O-N 3.4Å; S64-A67 PolarHBondContact O-N 3.46Å; S64-L68 WeakPolarHBondContact O-CB 3.49Å; S64-L68 WeakPolarHBondContact O-CD1 3.33Å; S64-L68 WeakPolarHBondContact O-CG 3.32Å; S64-L68 PolarHBondContact O-N 3.37Å; S64-I103 WeakPolarHBondContact OG-CD1 3.32Å
65S80.6Confident80Confident52 Ų5238.6 Ų38.636%0.36421%0.21SC..Hα-helixtrans-65-40.8179-58.10000111.8P61 V62 L68 L69P61-S65 VanDerWaalsContact O-CB 3.24Å; P61-S65 WeakPolarHBondContact O-CB 3.18Å; P61-S65 PolarHBondContact O-N 2.86Å; P61-S65 PolarHBondContact O-OG 2.92Å; V62-S65 PolarHBondContact O-N 3.1Å; S65-L68 PolarHBondContact O-N 3.21Å; S65-L69 WeakPolarHBondContact O-CB 3.23Å; S65-L69 PolarHBondContact O-N 2.9Å
66I79.3Confident79.2Confident33 Ų3339 Ų3917%0.16922%0.216CC..Hα-helixtrans-65.1-45.9176.1-67.9166.3000110.7L19 L36 V62 Q63 L68 L69 I70L19-I66 HydrophobicContact CD1-CG2 3.75Å; L36-I66 HydrophobicContact CD1-CD1 3.59Å; V62-I66 HydrophobicContact CG1-CD1 3.72Å; V62-I66 HydrophobicContact CG1-CG1 4.45Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.29Å; V62-I66 PolarHBondContact O-N 3.35Å; Q63-I66 PolarHBondContact O-N 3.43Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 3.44Å; I66-L69 PolarHBondContact O-N 2.8Å; I66-I70 HydrophobicContact CG2-CD1 4.02Å; I66-I70 WeakPolarHBondContact O-CG1 3.43Å; I66-I70 PolarHBondContact O-N 2.97Å
67A79Confident78.5Confident19 Ų1942.5 Ų42.516%0.15724%0.24CC..Hα-helixtrans-61.5-43.8178.100000111.6I16 Q63 S64 I70 L71I16-A67 HydrophobicContact CD1-CB 4.32Å; I16-A67 HydrophobicContact CG1-CB 4.17Å; I16-A67 HydrophobicContact CG2-CB 4.08Å; Q63-A67 WeakPolarHBondContact O-CB 3.39Å; Q63-A67 PolarHBondContact O-N 2.89Å; S64-A67 PolarHBondContact O-N 3.46Å; A67-I70 PolarHBondContact O-N 2.65Å; A67-L71 VanDerWaalsContact O-CG 3.31Å; A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.69Å
68L78.4Confident77.7Confident13 Ų1344.8 Ų44.87%0.06825%0.251CS..Hα-helixtrans-62.3-42.8175.5-73.7166.5000112S64 S65 I66 I70 L71 Y72 W92 I95 I96 V99 I100S64-L68 WeakPolarHBondContact O-CB 3.49Å; S64-L68 WeakPolarHBondContact O-CD1 3.33Å; S64-L68 WeakPolarHBondContact O-CG 3.32Å; S64-L68 PolarHBondContact O-N 3.37Å; S65-L68 PolarHBondContact O-N 3.21Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 3.44Å; L68-I70 PolarHBondContact O-N 2.88Å; L68-L71 PolarHBondContact O-N 2.89Å; L68-Y72 VanDerWaalsContact O-CB 3.24Å; L68-Y72 WeakPolarHBondContact O-CB 3.21Å; L68-Y72 PolarHBondContact O-N 3.34Å; L68-W92 HydrophobicContact CD2-CE3 4.46Å; L68-W92 HydrophobicContact CD2-CZ3 3.9Å; L68-I95 HydrophobicContact CD2-CG2 3.52Å; L68-I96 HydrophobicContact CD1-CG1 4.14Å; L68-I96 HydrophobicContact CD2-CG1 4.31Å; L68-V99 HydrophobicContact CD1-CB 4.33Å; L68-V99 HydrophobicContact CD1-CG1 4.3Å; L68-I100 HydrophobicContact CD1-CD1 3.8Å; L68-I100 HydrophobicContact CD1-CG1 3.71Å
69L79.9Confident76.7Confident108 Ų10844.4 Ų44.457%0.56525%0.25SS*.Hα-helixtrans-60.9-44.9177.7-179.766.4000111.5S65 I66 Y72 V73S65-L69 WeakPolarHBondContact O-CB 3.23Å; S65-L69 PolarHBondContact O-N 2.9Å; I66-L69 PolarHBondContact O-N 2.8Å; L69-Y72 PolarHBondContact O-N 2.8Å; L69-V73 HydrophobicContact CD1-CG2 4.28Å; L69-V73 HydrophobicContact CG-CG2 4.5Å; L69-V73 WeakPolarHBondContact O-CB 2.99Å; L69-V73 VanDerWaalsContact O-CG2 3.27Å; L69-V73 WeakPolarHBondContact O-CG2 3.19Å; L69-V73 PolarHBondContact O-N 2.81Å
70I76.9Confident75.6Confident31 Ų3150.2 Ų50.216%0.15928%0.282CS..Hα-helixtrans-61.6-47.5178.4-69.6168000110.5L15 L19 I66 A67 L68 Y72 V73 I74L15-I70 HydrophobicContact CD2-CD1 4.47Å; L19-I70 HydrophobicContact CD1-CD1 3.43Å; L19-I70 VanDerWaalsContact CD1-CD1 3.43Å; I66-I70 HydrophobicContact CG2-CD1 4.02Å; I66-I70 WeakPolarHBondContact O-CG1 3.43Å; I66-I70 PolarHBondContact O-N 2.97Å; A67-I70 PolarHBondContact O-N 2.65Å; L68-I70 PolarHBondContact O-N 2.88Å; I70-Y72 VanDerWaalsContact C-N 3.34Å; I70-Y72 PolarHBondContact O-N 2.93Å; I70-V73 PolarHBondContact O-N 2.8Å; I70-I74 HydrophobicContact CG2-CD1 3.85Å; I70-I74 WeakPolarHBondContact O-CG1 3.45Å; I70-I74 PolarHBondContact O-N 2.88Å
71L75.1Confident74.4Confident51 Ų5151.3 Ų51.327%0.26729%0.29SS..Hα-helixtrans-66.8-37179.8-63.4167.9000112I16 A67 L68 I74 S75 W92I16-L71 HydrophobicContact CD1-CD1 4.26Å; I16-L71 HydrophobicContact CD1-CD2 3.92Å; I16-L71 HydrophobicContact CD1-CG 3.91Å; A67-L71 VanDerWaalsContact O-CG 3.31Å; A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.69Å; L68-L71 PolarHBondContact O-N 2.89Å; L71-I74 PolarHBondContact O-N 3.26Å; L71-S75 VanDerWaalsContact O-CB 3.27Å; L71-S75 WeakPolarHBondContact O-CB 3.46Å; L71-S75 PolarHBondContact O-N 3.38Å; L71-W92 VanDerWaalsContact C-CZ2 3.47Å; L71-W92 HydrophobicContact CB-CH2 3.21Å; L71-W92 HydrophobicContact CB-CZ2 3.87Å; L71-W92 HydrophobicContact CB-CZ3 4.04Å; L71-W92 HydrophobicContact CD1-CH2 4.23Å; L71-W92 HydrophobicContact CG-CH2 4.33Å; L71-W92 WeakPolarHBondContact O-CZ2 3.29Å
72Y76.2Confident73.2Confident108 Ų10856.1 Ų56.142%0.42432%0.316SS..Hα-helixtrans-62.7-49.7175175.2-101.1000111.4L68 L69 I70 I74 S75 C76 W92L68-Y72 VanDerWaalsContact O-CB 3.24Å; L68-Y72 WeakPolarHBondContact O-CB 3.21Å; L68-Y72 PolarHBondContact O-N 3.34Å; L69-Y72 PolarHBondContact O-N 2.8Å; I70-Y72 VanDerWaalsContact C-N 3.34Å; I70-Y72 PolarHBondContact O-N 2.93Å; Y72-I74 VanDerWaalsContact C-N 3.3Å; Y72-I74 PolarHBondContact O-N 3.01Å; Y72-S75 WeakPolarHBondContact O-CB 3.17Å; Y72-S75 PolarHBondContact O-N 3.39Å; Y72-S75 VanDerWaalsContact O-N 3.17Å; Y72-C76 VanDerWaalsContact CZ-SG 3.51Å; Y72-C76 PolarHBondContact O-N 3.45Å; Y72-C76 PolarHBondContact O-SG 3.07Å; Y72-C76 VanDerWaalsContact O-SG 3.38Å; Y72-W92 AromaticContact CD2-CD1 3.94Å; Y72-W92 HydrophobicContact CD2-CD2 4.09Å; Y72-W92 AromaticContact CD2-CG 3.92Å; Y72-W92 HydrophobicContact CD2-CG 3.92Å
73V75.4Confident71.9Confident73 Ų7360.4 Ų60.444%0.44234%0.344SS..Hα-helixtrans-58.6-44178.3169.90000110.8L69 I70 C76 C77L69-V73 HydrophobicContact CD1-CG2 4.28Å; L69-V73 HydrophobicContact CG-CG2 4.5Å; L69-V73 WeakPolarHBondContact O-CB 2.99Å; L69-V73 VanDerWaalsContact O-CG2 3.27Å; L69-V73 WeakPolarHBondContact O-CG2 3.19Å; L69-V73 PolarHBondContact O-N 2.81Å; I70-V73 PolarHBondContact O-N 2.8Å; V73-C76 WeakPolarHBondContact O-CB 3.3Å; V73-C76 PolarHBondContact O-N 3.47Å; V73-C77 PolarHBondContact O-N 3.27Å; V73-C77 PolarHBondContact O-SG 2.78Å
74I71.7Confident71.1Confident37 Ų3764.8 Ų64.819%0.1937%0.368CS..Hα-helixtrans-67.2-41.9177.9-70166000111.2S12 I70 L71 Y72 C76 C77 L78S12-I74 VanDerWaalsContact CB-CD1 3.42Å; I70-I74 HydrophobicContact CG2-CD1 3.85Å; I70-I74 WeakPolarHBondContact O-CG1 3.45Å; I70-I74 PolarHBondContact O-N 2.88Å; L71-I74 PolarHBondContact O-N 3.26Å; Y72-I74 VanDerWaalsContact C-N 3.3Å; Y72-I74 PolarHBondContact O-N 3.01Å; I74-C76 VanDerWaalsContact C-N 3.3Å; I74-C76 PolarHBondContact O-N 3.3Å; I74-C77 WeakPolarHBondContact O-CB 3.38Å; I74-C77 PolarHBondContact O-N 2.97Å; I74-C77 VanDerWaalsContact O-N 3.09Å; I74-L78 HydrophobicContact CG2-CD1 3.76Å; I74-L78 HydrophobicContact CG2-CG 4.15Å; I74-L78 WeakPolarHBondContact O-CB 3.24Å; I74-L78 VanDerWaalsContact O-CG 3.32Å; I74-L78 WeakPolarHBondContact O-CG 3.49Å; I74-L78 PolarHBondContact O-N 3.17Å
75S72.1Confident70.2Confident26 Ų2669.6 Ų69.618%0.18238%0.384CS..Hα-helixtrans-57.6-44.9174.1179.70000110.6L71 Y72 C77 L78 V79 W92L71-S75 VanDerWaalsContact O-CB 3.27Å; L71-S75 WeakPolarHBondContact O-CB 3.46Å; L71-S75 PolarHBondContact O-N 3.38Å; Y72-S75 WeakPolarHBondContact O-CB 3.17Å; Y72-S75 PolarHBondContact O-N 3.39Å; Y72-S75 VanDerWaalsContact O-N 3.17Å; S75-C77 VanDerWaalsContact C-N 3.34Å; S75-C77 PolarHBondContact O-N 3.34Å; S75-L78 PolarHBondContact O-N 3.1Å; S75-V79 WeakPolarHBondContact O-CB 3.26Å; S75-V79 WeakPolarHBondContact O-CG2 3.45Å; S75-V79 PolarHBondContact O-N 2.91Å; S75-W92 VanDerWaalsContact CB-NE1 3.28Å; S75-W92 PolarHBondContact OG-NE1 2.92Å
76C71.6Confident69.2Low32 Ų3275.5 Ų75.522%0.21641%0.405CS..Hα-helixtrans-61.1-39.9173.7-680000112.8Y72 V73 I74 L78Y72-C76 VanDerWaalsContact CZ-SG 3.51Å; Y72-C76 PolarHBondContact O-N 3.45Å; Y72-C76 PolarHBondContact O-SG 3.07Å; Y72-C76 VanDerWaalsContact O-SG 3.38Å; V73-C76 WeakPolarHBondContact O-CB 3.3Å; V73-C76 PolarHBondContact O-N 3.47Å; I74-C76 VanDerWaalsContact C-N 3.3Å; I74-C76 PolarHBondContact O-N 3.3Å; C76-L78 VanDerWaalsContact C-N 3.34Å; C76-L78 PolarHBondContact O-N 2.77Å
77C71.8Confident68.6Low87 Ų8778.8 Ų78.859%0.58842%0.423SS*.Hα-helixtrans-65.7-35.7176.4-680000112.9V73 I74 S75V73-C77 PolarHBondContact O-N 3.27Å; V73-C77 PolarHBondContact O-SG 2.78Å; I74-C77 WeakPolarHBondContact O-CB 3.38Å; I74-C77 PolarHBondContact O-N 2.97Å; I74-C77 VanDerWaalsContact O-N 3.09Å; S75-C77 VanDerWaalsContact C-N 3.34Å; S75-C77 PolarHBondContact O-N 3.34Å
78L69.1Low68Low55 Ų5580 Ų8029%0.28843%0.43SS..Hα-helixtrans-84.2-32.2-178.6-66177.6000113.2T5 I74 S75 C76 N80 V81T5-L78 HydrophobicContact CG2-CD1 4.14Å; T5-L78 HydrophobicContact CG2-CD2 3.69Å; T5-L78 HydrophobicContact CG2-CG 4.43Å; I74-L78 HydrophobicContact CG2-CD1 3.76Å; I74-L78 HydrophobicContact CG2-CG 4.15Å; I74-L78 WeakPolarHBondContact O-CB 3.24Å; I74-L78 VanDerWaalsContact O-CG 3.32Å; I74-L78 WeakPolarHBondContact O-CG 3.49Å; I74-L78 PolarHBondContact O-N 3.17Å; S75-L78 PolarHBondContact O-N 3.1Å; C76-L78 VanDerWaalsContact C-N 3.34Å; C76-L78 PolarHBondContact O-N 2.77Å; L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 3.2Å; L78-V81 WeakPolarHBondContact O-CG2 3.16Å
79V64.9Low67.7Low30 Ų3081.5 Ų81.518%0.18244%0.441CS..Hα-helixtrans-78.7-6.8-175.8171.60000113.1S75 V81 D82 Y85 C88S75-V79 WeakPolarHBondContact O-CB 3.26Å; S75-V79 WeakPolarHBondContact O-CG2 3.45Å; S75-V79 PolarHBondContact O-N 2.91Å; V79-V81 PolarHBondContact O-N 3.11Å; V79-D82 PolarHBondContact O-N 3.18Å; V79-Y85 HydrophobicContact CG1-CD2 3.78Å; V79-Y85 HydrophobicContact CG1-CE2 4.01Å; V79-C88 HydrophobicContact CG2-CB 4.45Å
80N60.3Low67.2Low137 Ų13782.2 Ų82.273%0.73344%0.436SS*.THydrogen-bonded Turntrans-58.54.9166.4-78.2-32.8000114.3L78L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 3.2Å
81V55.7Low67.1Low83 Ų8384.2 Ų84.250%0.50345%0.447SS..THydrogen-bonded Turntrans-99.6-22.3-178.7-177.80000113.4M1 L78 V79M1-V81 HydrophobicContact SD-CG1 4.08Å; L78-V81 WeakPolarHBondContact O-CG2 3.16Å; V79-V81 PolarHBondContact O-N 3.11Å
82D55.7Low67.1Low117 Ų11783.3 Ų83.363%0.62644%0.44SS*.  trans-147.8149.4-176.8-78.5-53.1000115.7V79 D84V79-D82 PolarHBondContact O-N 3.18Å; D82-D84 VanDerWaalsContact C-N 3.34Å; D82-D84 PolarHBondContact O-N 2.93Å
83P54.8Low67Low119 Ų11986 Ų8677%0.77345%0.45SS*.SBendtrans-77.70.3-172.130.3-34.6000116.3Y85P83-Y85 PolarHBondContact O-N 2.81Å
84D62.9Low67Low124 Ų12485.9 Ų85.966%0.66345%0.45SS*.  trans-76.440.7177.3-77.7-21.3000113.5D82 Q86 L87D82-D84 VanDerWaalsContact C-N 3.34Å; D82-D84 PolarHBondContact O-N 2.93Å; D84-Q86 PolarHBondContact O-N 3.38Å; D84-L87 PolarHBondContact O-N 3.29Å
85Y63.3Low67.4Low127 Ų12787.4 Ų87.450%0.49846%0.458SS..Hα-helixtrans-60.1-30-174.8-149.8-90000113V79 P83 S89V79-Y85 HydrophobicContact CG1-CD2 3.78Å; V79-Y85 HydrophobicContact CG1-CE2 4.01Å; P83-Y85 PolarHBondContact O-N 2.81Å; Y85-S89 WeakPolarHBondContact O-CB 3.29Å; Y85-S89 PolarHBondContact O-N 2.78Å; Y85-S89 VanDerWaalsContact O-N 3.16Å
86Q59.5Low67.6Low175 Ų17589.3 Ų89.382%0.81847%0.465SS*.Hα-helixtrans-66.4-37.8176.8-74.1-169.31.600112D84 S89 W90D84-Q86 PolarHBondContact O-N 3.38Å; Q86-S89 PolarHBondContact O-N 3.13Å; Q86-W90 VanDerWaalsContact O-CD1 3.25Å; Q86-W90 PolarHBondContact O-N 3.1Å
87L65.5Low67.8Low103 Ų10390.2 Ų90.254%0.53947%0.472SS..Hα-helixtrans-69.4-42.1-176.9-147.882.2000111.3D84 S89 W90 L91D84-L87 PolarHBondContact O-N 3.29Å; L87-S89 VanDerWaalsContact C-N 3.34Å; L87-S89 PolarHBondContact O-N 3.22Å; L87-W90 VanDerWaalsContact CA-NE1 3.28Å; L87-W90 HydrophobicContact CD1-CZ2 4.36Å; L87-W90 HydrophobicContact CG-CZ2 4.25Å; L87-W90 PolarHBondContact O-NE1 3.38Å; L87-L91 WeakPolarHBondContact O-CG 3.39Å; L87-L91 PolarHBondContact O-N 3.34Å
88C68.4Low68Low45 Ų4590.6 Ų90.630%0.30447%0.471SS..Hα-helixtrans-66-35.8175.9-78.40000112.7V79 W92V79-C88 HydrophobicContact CG2-CB 4.45Å; C88-W92 VanDerWaalsContact O-CD1 3.3Å; C88-W92 PolarHBondContact O-N 3.05Å
89S71.1Confident68.5Low43 Ų4390.4 Ų90.430%0.30147%0.472SS..Hα-helixtrans-66.3-45.8-179-172.50000112.5Y85 Q86 L87 L91 W92 Y93Y85-S89 WeakPolarHBondContact O-CB 3.29Å; Y85-S89 PolarHBondContact O-N 2.78Å; Y85-S89 VanDerWaalsContact O-N 3.16Å; Q86-S89 PolarHBondContact O-N 3.13Å; L87-S89 VanDerWaalsContact C-N 3.34Å; L87-S89 PolarHBondContact O-N 3.22Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.86Å; S89-W92 PolarHBondContact O-N 3Å; S89-Y93 WeakPolarHBondContact O-CD2 3.42Å; S89-Y93 PolarHBondContact O-N 3.11Å; S89-Y93 WeakPolarHBondContact OG-CE2 3.39Å
90W68.6Low69.2Low124 Ų12490.7 Ų90.747%0.4747%0.472SS..Hα-helixtrans-66-36178.474.8-102.1000112.7Q86 L87 W92 Y93 V94Q86-W90 VanDerWaalsContact O-CD1 3.25Å; Q86-W90 PolarHBondContact O-N 3.1Å; L87-W90 VanDerWaalsContact CA-NE1 3.28Å; L87-W90 HydrophobicContact CD1-CZ2 4.36Å; L87-W90 HydrophobicContact CG-CZ2 4.25Å; L87-W90 PolarHBondContact O-NE1 3.38Å; W90-W92 VanDerWaalsContact C-N 3.29Å; W90-W92 PolarHBondContact O-N 3.31Å; W90-Y93 PolarHBondContact O-N 2.95Å; W90-V94 HydrophobicContact CE3-CG2 3.83Å; W90-V94 HydrophobicContact CZ3-CG2 4.19Å; W90-V94 WeakPolarHBondContact O-CG2 3.35Å; W90-V94 PolarHBondContact O-N 3.34Å
91L75.4Confident70Confident72 Ų7289.1 Ų89.138%0.37746%0.464SS..Hα-helixtrans-59.5-42.2175.4-76.1168.2000111L87 S89 V94 I95L87-L91 WeakPolarHBondContact O-CG 3.39Å; L87-L91 PolarHBondContact O-N 3.34Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.86Å; L91-V94 PolarHBondContact O-N 3.33Å; L91-I95 WeakPolarHBondContact O-CG1 3.31Å; L91-I95 PolarHBondContact O-N 3.31Å
92W75.6Confident71Confident33 Ų3388.7 Ų88.713%0.12546%0.462CS..Hα-helixtrans-61.8-44.2174.4-84.1114.5000112.9L68 L71 Y72 S75 C88 S89 W90 V94 I95 I96L68-W92 HydrophobicContact CD2-CE3 4.46Å; L68-W92 HydrophobicContact CD2-CZ3 3.9Å; L71-W92 VanDerWaalsContact C-CZ2 3.47Å; L71-W92 HydrophobicContact CB-CH2 3.21Å; L71-W92 HydrophobicContact CB-CZ2 3.87Å; L71-W92 HydrophobicContact CB-CZ3 4.04Å; L71-W92 HydrophobicContact CD1-CH2 4.23Å; L71-W92 HydrophobicContact CG-CH2 4.33Å; L71-W92 WeakPolarHBondContact O-CZ2 3.29Å; Y72-W92 AromaticContact CD2-CD1 3.94Å; Y72-W92 HydrophobicContact CD2-CD2 4.09Å; Y72-W92 AromaticContact CD2-CG 3.92Å; Y72-W92 HydrophobicContact CD2-CG 3.92Å; S75-W92 VanDerWaalsContact CB-NE1 3.28Å; S75-W92 PolarHBondContact OG-NE1 2.92Å; C88-W92 VanDerWaalsContact O-CD1 3.3Å; C88-W92 PolarHBondContact O-N 3.05Å; S89-W92 PolarHBondContact O-N 3Å; W90-W92 VanDerWaalsContact C-N 3.29Å; W90-W92 PolarHBondContact O-N 3.31Å; W92-V94 VanDerWaalsContact C-N 3.3Å; W92-V94 PolarHBondContact O-N 3.46Å; W92-I95 HydrophobicContact CE3-CD1 4.42Å; W92-I95 HydrophobicContact CZ3-CD1 4.28Å; W92-I95 HydrophobicContact CZ3-CG2 4.36Å; W92-I95 PolarHBondContact O-N 3.26Å; W92-I96 WeakPolarHBondContact O-CB 3.41Å; W92-I96 WeakPolarHBondContact O-CD1 3.07Å; W92-I96 WeakPolarHBondContact O-CG1 3.18Å; W92-I96 PolarHBondContact O-N 3.28Å
93Y74.3Confident72.1Confident164 Ų16484.4 Ų84.464%0.64344%0.439SS*.Hα-helixtrans-60.8-39.6175.6-69.8-64.7000112.3S89 W90 S97S89-Y93 WeakPolarHBondContact O-CD2 3.42Å; S89-Y93 PolarHBondContact O-N 3.11Å; S89-Y93 WeakPolarHBondContact OG-CE2 3.39Å; W90-Y93 PolarHBondContact O-N 2.95Å; Y93-S97 WeakPolarHBondContact O-CB 3.35Å; Y93-S97 PolarHBondContact O-N 3.17Å
94V75.1Confident73.3Confident71 Ų7182.6 Ų82.643%0.4342%0.422SS..Hα-helixtrans-66.5-45.9176.4173.20000111W90 L91 W92 I96 S97 V98W90-V94 HydrophobicContact CE3-CG2 3.83Å; W90-V94 HydrophobicContact CZ3-CG2 4.19Å; W90-V94 WeakPolarHBondContact O-CG2 3.35Å; W90-V94 PolarHBondContact O-N 3.34Å; L91-V94 PolarHBondContact O-N 3.33Å; W92-V94 VanDerWaalsContact C-N 3.3Å; W92-V94 PolarHBondContact O-N 3.46Å; V94-I96 PolarHBondContact O-N 2.87Å; V94-S97 WeakPolarHBondContact O-CB 3.45Å; V94-S97 PolarHBondContact O-N 2.98Å; V94-V98 HydrophobicContact CG1-CG2 4.16Å; V94-V98 WeakPolarHBondContact O-CB 3.18Å; V94-V98 VanDerWaalsContact O-CG2 3.25Å; V94-V98 WeakPolarHBondContact O-CG2 3.45Å; V94-V98 PolarHBondContact O-N 3.46Å
95I78.9Confident74.1Confident69 Ų6982.8 Ų82.835%0.35442%0.418SS..Hα-helixtrans-63.3-45.4179.3-63.3165.5000110.2L68 L91 W92 S97 V98 V99L68-I95 HydrophobicContact CD2-CG2 3.52Å; L91-I95 WeakPolarHBondContact O-CG1 3.31Å; L91-I95 PolarHBondContact O-N 3.31Å; W92-I95 HydrophobicContact CE3-CD1 4.42Å; W92-I95 HydrophobicContact CZ3-CD1 4.28Å; W92-I95 HydrophobicContact CZ3-CG2 4.36Å; W92-I95 PolarHBondContact O-N 3.26Å; I95-S97 VanDerWaalsContact C-N 3.34Å; I95-S97 PolarHBondContact O-N 2.88Å; I95-V98 PolarHBondContact O-N 3.44Å; I95-V99 HydrophobicContact CG2-CG2 4.31Å; I95-V99 WeakPolarHBondContact O-CB 3.19Å; I95-V99 VanDerWaalsContact O-CG2 3.27Å; I95-V99 WeakPolarHBondContact O-CG2 3.48Å; I95-V99 PolarHBondContact O-N 2.94Å
96I77.3Confident74.8Confident65 Ų6581.4 Ų81.433%0.33341%0.412SS..Hα-helixtrans-59.5-47.2176.3-69.6167000110.2L68 W92 V94 V99 I100L68-I96 HydrophobicContact CD1-CG1 4.14Å; L68-I96 HydrophobicContact CD2-CG1 4.31Å; W92-I96 WeakPolarHBondContact O-CB 3.41Å; W92-I96 WeakPolarHBondContact O-CD1 3.07Å; W92-I96 WeakPolarHBondContact O-CG1 3.18Å; W92-I96 PolarHBondContact O-N 3.28Å; V94-I96 PolarHBondContact O-N 2.87Å; I96-V99 PolarHBondContact O-N 3.37Å; I96-I100 HydrophobicContact CG2-CD1 3.87Å; I96-I100 HydrophobicContact CG2-CG1 4.23Å; I96-I100 VanDerWaalsContact O-CB 3.24Å; I96-I100 WeakPolarHBondContact O-CB 3.43Å; I96-I100 WeakPolarHBondContact O-CG1 3.34Å; I96-I100 PolarHBondContact O-N 2.89Å
97S76.1Confident75.7Confident52 Ų5274.1 Ų74.136%0.36438%0.381SS..Hα-helixtrans-57.3-51.8177163.70000111.9Y93 V94 I95 V99 L101Y93-S97 WeakPolarHBondContact O-CB 3.35Å; Y93-S97 PolarHBondContact O-N 3.17Å; V94-S97 WeakPolarHBondContact O-CB 3.45Å; V94-S97 PolarHBondContact O-N 2.98Å; I95-S97 VanDerWaalsContact C-N 3.34Å; I95-S97 PolarHBondContact O-N 2.88Å; S97-V99 VanDerWaalsContact C-N 3.31Å; S97-V99 PolarHBondContact O-N 2.89Å; S97-L101 WeakPolarHBondContact O-CB 3.31Å; S97-L101 VanDerWaalsContact O-CG 3.29Å; S97-L101 WeakPolarHBondContact O-CG 3.26Å; S97-L101 PolarHBondContact O-N 3.28Å; S97-L101 VanDerWaalsContact O-N 3.1Å; S97-L101 WeakPolarHBondContact OG-CD1 3.24Å
98V76.7Confident76.4Confident95 Ų9574.2 Ų74.258%0.57638%0.379SS*.Hα-helixtrans-68.6-29.7-175.9172.40000112.3V94 I95 P102V94-V98 HydrophobicContact CG1-CG2 4.16Å; V94-V98 WeakPolarHBondContact O-CB 3.18Å; V94-V98 VanDerWaalsContact O-CG2 3.25Å; V94-V98 WeakPolarHBondContact O-CG2 3.45Å; V94-V98 PolarHBondContact O-N 3.46Å; I95-V98 PolarHBondContact O-N 3.44Å; V98-P102 WeakPolarHBondContact O-CD 3.19Å; V98-P102 WeakPolarHBondContact O-CG 3.49Å
99V78.8Confident76.9Confident51 Ų5176.5 Ų76.531%0.30939%0.388SS..Hα-helixtrans-90.5-48.3-179.4177.40000111.8L68 I95 I96 S97 I103L68-V99 HydrophobicContact CD1-CB 4.33Å; L68-V99 HydrophobicContact CD1-CG1 4.3Å; I95-V99 HydrophobicContact CG2-CG2 4.31Å; I95-V99 WeakPolarHBondContact O-CB 3.19Å; I95-V99 VanDerWaalsContact O-CG2 3.27Å; I95-V99 WeakPolarHBondContact O-CG2 3.48Å; I95-V99 PolarHBondContact O-N 2.94Å; I96-V99 PolarHBondContact O-N 3.37Å; S97-V99 VanDerWaalsContact C-N 3.31Å; S97-V99 PolarHBondContact O-N 2.89Å; V99-I103 HydrophobicContact CG1-CD1 4.19Å; V99-I103 WeakPolarHBondContact O-CD1 3.34Å; V99-I103 WeakPolarHBondContact O-CG1 3.45Å
100I78.5Confident77.4Confident36 Ų3675.5 Ų75.519%0.18538%0.377CS..Hα-helixtrans-79.7-41.2-171.8-60.1-165.5000111.6L68 I96 I103 L104L68-I100 HydrophobicContact CD1-CD1 3.8Å; L68-I100 HydrophobicContact CD1-CG1 3.71Å; I96-I100 HydrophobicContact CG2-CD1 3.87Å; I96-I100 HydrophobicContact CG2-CG1 4.23Å; I96-I100 VanDerWaalsContact O-CB 3.24Å; I96-I100 WeakPolarHBondContact O-CB 3.43Å; I96-I100 WeakPolarHBondContact O-CG1 3.34Å; I96-I100 PolarHBondContact O-N 2.89Å; I100-I103 PolarHBondContact O-N 3.48Å; I100-I103 VanDerWaalsContact O-N 3.17Å; I100-L104 HydrophobicContact CG2-CD1 3.59Å; I100-L104 HydrophobicContact CG2-CG 3.81Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; I100-L104 PolarHBondContact O-N 3.39Å
101L78Confident78Confident104 Ų10474.4 Ų74.455%0.54538%0.377SS..Hα-helixtrans-61.1-44.5-175.9-66.2173.2000113.1S97 I103 L104 F105S97-L101 WeakPolarHBondContact O-CB 3.31Å; S97-L101 VanDerWaalsContact O-CG 3.29Å; S97-L101 WeakPolarHBondContact O-CG 3.26Å; S97-L101 PolarHBondContact O-N 3.28Å; S97-L101 VanDerWaalsContact O-N 3.1Å; S97-L101 WeakPolarHBondContact OG-CD1 3.24Å; L101-I103 VanDerWaalsContact C-N 3.26Å; L101-I103 PolarHBondContact O-N 2.92Å; L101-L104 PolarHBondContact O-N 3Å; L101-F105 WeakPolarHBondContact O-CB 3.23Å; L101-F105 PolarHBondContact O-N 2.82Å
102P76.1Confident78.1Confident74 Ų7478.8 Ų78.848%0.48139%0.394SS..Hα-helixtrans-64.7-33.1177.8-22.434.7000112.6V98 R106V98-P102 WeakPolarHBondContact O-CD 3.19Å; V98-P102 WeakPolarHBondContact O-CG 3.49Å; P102-R106 WeakPolarHBondContact O-CB 3.43Å; P102-R106 PolarHBondContact O-N 2.88Å
103I80.3Confident78.3Confident27 Ų2779.3 Ų79.314%0.13841%0.409CS..Hα-helixtrans-70-47.4179.1-63.6171.7000110.2L60 P61 S64 V99 I100 L101 F105 R106 A107L60-I103 HydrophobicContact CB-CD1 4.45Å; L60-I103 HydrophobicContact CB-CG2 4.04Å; P61-I103 HydrophobicContact CB-CG2 3.6Å; P61-I103 HydrophobicContact CG-CG2 3.77Å; S64-I103 WeakPolarHBondContact OG-CD1 3.32Å; V99-I103 HydrophobicContact CG1-CD1 4.19Å; V99-I103 WeakPolarHBondContact O-CD1 3.34Å; V99-I103 WeakPolarHBondContact O-CG1 3.45Å; I100-I103 PolarHBondContact O-N 3.48Å; I100-I103 VanDerWaalsContact O-N 3.17Å; L101-I103 VanDerWaalsContact C-N 3.26Å; L101-I103 PolarHBondContact O-N 2.92Å; I103-F105 VanDerWaalsContact C-N 3.34Å; I103-R106 PolarHBondContact O-N 3.48Å; I103-A107 PolarHBondContact O-N 3.33Å
104L78.8Confident78.6Confident80 Ų8075.1 Ų75.142%0.41940%0.398SS..Hα-helixtrans-63.6-42175.6-68.5-178.8000111.3I100 L101 R106 A107 Q108I100-L104 HydrophobicContact CG2-CD1 3.59Å; I100-L104 HydrophobicContact CG2-CG 3.81Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; I100-L104 PolarHBondContact O-N 3.39Å; L101-L104 PolarHBondContact O-N 3Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.25Å; L104-A107 PolarHBondContact O-N 2.96Å; L104-Q108 WeakPolarHBondContact O-CB 3.43Å; L104-Q108 WeakPolarHBondContact O-CG 3.5Å; L104-Q108 PolarHBondContact O-N 3.33Å
105F79.3Confident79.2Confident128 Ų12873 Ų7356%0.56138%0.382SS*.Hα-helixtrans-59.1-43.7175.5-176.9-109.3000111.3L101 I103 A107 Q108 L109L101-F105 WeakPolarHBondContact O-CB 3.23Å; L101-F105 PolarHBondContact O-N 2.82Å; I103-F105 VanDerWaalsContact C-N 3.34Å; F105-A107 PolarHBondContact O-N 2.87Å; F105-Q108 PolarHBondContact O-N 3.12Å; F105-L109 HydrophobicContact CD1-CD1 3.76Å; F105-L109 HydrophobicContact CD1-CG 4.29Å; F105-L109 HydrophobicContact CE1-CD1 3.4Å; F105-L109 VanDerWaalsContact CE1-CD1 3.4Å; F105-L109 HydrophobicContact CE1-CD2 4.45Å; F105-L109 HydrophobicContact CE1-CG 4Å; F105-L109 HydrophobicContact CE2-CG 4.45Å; F105-L109 HydrophobicContact CZ-CD1 3.92Å; F105-L109 HydrophobicContact CZ-CD2 4.12Å; F105-L109 HydrophobicContact CZ-CG 4.08Å; F105-L109 WeakPolarHBondContact O-CB 3.29Å; F105-L109 WeakPolarHBondContact O-CG 3.29Å; F105-L109 PolarHBondContact O-N 2.81Å
106R79.4Confident79.3Confident99 Ų9970.4 Ų70.437%0.37437%0.372SS..Hα-helixtrans-63.8-41.7175.6-159.7-178.488.6-164.93.7112.2P102 I103 L104 Q108 L109 W110P102-R106 WeakPolarHBondContact O-CB 3.43Å; P102-R106 PolarHBondContact O-N 2.88Å; I103-R106 PolarHBondContact O-N 3.48Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.25Å; R106-Q108 VanDerWaalsContact C-N 3.35Å; R106-L109 PolarHBondContact O-N 2.87Å; R106-W110 HydrophobicContact CG-CZ2 4.24Å; R106-W110 VanDerWaalsContact NE-CH2 3.26Å; R106-W110 PolarHBondContact O-N 3.44Å; R106-W110 VanDerWaalsContact O-N 3.08Å
107A78.9Confident79.7Confident22 Ų2269.8 Ų69.818%0.18238%0.377CS..Hα-helixtrans-64.2-40.1176.300000111.8I103 L104 F105 W110 H111I103-A107 PolarHBondContact O-N 3.33Å; L104-A107 PolarHBondContact O-N 2.96Å; F105-A107 PolarHBondContact O-N 2.87Å; A107-W110 PolarHBondContact O-N 2.88Å; A107-H111 WeakPolarHBondContact O-CB 3.26Å; A107-H111 PolarHBondContact O-N 3.49Å
108Q79Confident80.3Confident104 Ų10467.4 Ų67.449%0.48636%0.36SS..Hα-helixtrans-65.4-44.9174.4-76.9-175.4-49.800111.8L104 F105 R106 W110 H111 F112L104-Q108 WeakPolarHBondContact O-CB 3.43Å; L104-Q108 WeakPolarHBondContact O-CG 3.5Å; L104-Q108 PolarHBondContact O-N 3.33Å; F105-Q108 PolarHBondContact O-N 3.12Å; R106-Q108 VanDerWaalsContact C-N 3.35Å; Q108-W110 PolarHBondContact O-N 2.84Å; Q108-H111 PolarHBondContact O-N 3.39Å; Q108-H111 VanDerWaalsContact O-N 3.09Å; Q108-F112 HydrophobicContact CB-CD2 4.05Å; Q108-F112 HydrophobicContact CB-CE2 4.12Å; Q108-F112 HydrophobicContact CG-CE2 4.25Å; Q108-F112 WeakPolarHBondContact O-CB 3.19Å; Q108-F112 WeakPolarHBondContact O-CD2 3.21Å; Q108-F112 PolarHBondContact O-N 3.46Å
109L79.2Confident80.8Confident93 Ų9366.6 Ų66.649%0.48736%0.357SS..Hα-helixtrans-56.6-39.2175.3-77175.1000111.8F105 R106 G113F105-L109 HydrophobicContact CD1-CD1 3.76Å; F105-L109 HydrophobicContact CD1-CG 4.29Å; F105-L109 HydrophobicContact CE1-CD1 3.4Å; F105-L109 VanDerWaalsContact CE1-CD1 3.4Å; F105-L109 HydrophobicContact CE1-CD2 4.45Å; F105-L109 HydrophobicContact CE1-CG 4Å; F105-L109 HydrophobicContact CE2-CG 4.45Å; F105-L109 HydrophobicContact CZ-CD1 3.92Å; F105-L109 HydrophobicContact CZ-CD2 4.12Å; F105-L109 HydrophobicContact CZ-CG 4.08Å; F105-L109 WeakPolarHBondContact O-CB 3.29Å; F105-L109 WeakPolarHBondContact O-CG 3.29Å; F105-L109 PolarHBondContact O-N 2.81Å; R106-L109 PolarHBondContact O-N 2.87Å; L109-G113 PolarHBondContact O-N 2.97Å
110W82.3Confident81.4Confident22 Ų2264.3 Ų64.38%0.08334%0.343CS..Hα-helixtrans-69.5-44.1174.3-68.7-17.4000112.3T56 C57 R106 A107 Q108 W115 H118T56-W110 HydrophobicContact CG2-CH2 4.09Å; T56-W110 HydrophobicContact CG2-CZ3 4.09Å; C57-W110 VanDerWaalsContact SG-CE3 3.53Å; R106-W110 HydrophobicContact CG-CZ2 4.24Å; R106-W110 VanDerWaalsContact NE-CH2 3.26Å; R106-W110 PolarHBondContact O-N 3.44Å; R106-W110 VanDerWaalsContact O-N 3.08Å; A107-W110 PolarHBondContact O-N 2.88Å; Q108-W110 PolarHBondContact O-N 2.84Å; W110-W115 HydrophobicContact CB-CE3 4.14Å; W110-W115 HydrophobicContact CB-CZ3 4.41Å; W110-W115 WeakPolarHBondContact O-CA 3.33Å; W110-W115 PolarHBondContact O-N 3.3Å; W110-H118 AromaticContact CD2-CD2 3.86Å; W110-H118 AromaticContact CE3-CD2 3.65Å; W110-H118 AromaticContact CH2-CD2 3.95Å; W110-H118 AromaticContact CZ3-CD2 3.69Å
111H80.2Confident82Confident102 Ų10262.6 Ų62.647%0.47233%0.334SS..Hα-helixtrans-65.9-46.6-178.6-170.447000112.7A107 Q108 W115A107-H111 WeakPolarHBondContact O-CB 3.26Å; A107-H111 PolarHBondContact O-N 3.49Å; Q108-H111 PolarHBondContact O-N 3.39Å; Q108-H111 VanDerWaalsContact O-N 3.09Å; H111-W115 AromaticContact ND1-CZ2 3.79Å
112F78.1Confident82.6Confident164 Ų16463.4 Ų63.472%0.71933%0.333SS*.Hα-helixtrans-73.7-27.2179.4-71.7-65.3000113.1Q108 D114Q108-F112 HydrophobicContact CB-CD2 4.05Å; Q108-F112 HydrophobicContact CB-CE2 4.12Å; Q108-F112 HydrophobicContact CG-CE2 4.25Å; Q108-F112 WeakPolarHBondContact O-CB 3.19Å; Q108-F112 WeakPolarHBondContact O-CD2 3.21Å; Q108-F112 PolarHBondContact O-N 3.46Å; F112-D114 PolarHBondContact O-N 2.9Å
113G79Confident83.3Confident43 Ų4360.3 Ų60.344%0.44331%0.312SS..THydrogen-bonded Turntrans-82.620.4176.700000114.7L109 W115 G116L109-G113 PolarHBondContact O-N 2.97Å; G113-W115 PolarHBondContact O-N 3.4Å; G113-W115 VanDerWaalsContact O-N 3.1Å; G113-G116 PolarHBondContact O-N 3.27Å
114D81.9Confident83.9Confident77 Ų7759 Ų5941%0.41231%0.306SS..THydrogen-bonded Turntrans44.543-171.7-171.737.2000112.3F112 G116F112-D114 PolarHBondContact O-N 2.9Å; D114-G116 PolarHBondContact O-N 2.95Å
115W85.7Confident84.5Confident26 Ų2660.4 Ų60.410%0.09831%0.306CS..THydrogen-bonded Turntrans60.47-179.5-50.990.6000115.4L53 W54 C57 W110 H111 G113 A117 H118 V121 W131L53-W115 HydrophobicContact CB-CE3 4.1Å; L53-W115 HydrophobicContact CB-CZ3 4.03Å; L53-W115 HydrophobicContact CD1-CD2 4.4Å; L53-W115 HydrophobicContact CD1-CG 4.44Å; L53-W115 HydrophobicContact CD2-CE3 4.08Å; L53-W115 HydrophobicContact CG-CE3 4.49Å; W54-W115 HydrophobicContact CD2-CH2 4.34Å; W54-W115 HydrophobicContact CZ2-CZ2 4.28Å; C57-W115 WeakPolarHBondContact SG-CZ3 3.16Å; W110-W115 HydrophobicContact CB-CE3 4.14Å; W110-W115 HydrophobicContact CB-CZ3 4.41Å; W110-W115 WeakPolarHBondContact O-CA 3.33Å; W110-W115 PolarHBondContact O-N 3.3Å; H111-W115 AromaticContact ND1-CZ2 3.79Å; G113-W115 PolarHBondContact O-N 3.4Å; G113-W115 VanDerWaalsContact O-N 3.1Å; W115-A117 PolarHBondContact O-N 3.2Å; W115-A117 VanDerWaalsContact O-N 3.1Å; W115-H118 HydrophobicContact CB-CB 4.48Å; W115-H118 WeakPolarHBondContact O-CB 3.37Å; W115-H118 PolarHBondContact O-N 3.46Å; W115-V121 HydrophobicContact CB-CG2 3.67Å; W115-V121 VanDerWaalsContact O-CB 3.28Å; W115-V121 WeakPolarHBondContact O-CB 3.28Å; W115-V121 WeakPolarHBondContact O-CG2 3.21Å; W115-W131 HydrophobicContact CB-CH2 4.41Å; W115-W131 HydrophobicContact CB-CZ2 4.33Å
116G82.7Confident85Confident14 Ų1458.7 Ų58.714%0.14430%0.301CS..THydrogen-bonded Turntrans-61.2-27.6-170.800000114.8G113 D114 K122G113-G116 PolarHBondContact O-N 3.27Å; D114-G116 PolarHBondContact O-N 2.95Å; G116-K122 WeakPolarHBondContact O-CG 3.45Å
117A84.5Confident85.5Confident53 Ų5356.2 Ų56.244%0.43829%0.292SS..THydrogen-bonded Turntrans-85-9.1175.800000113.8W115 K122W115-A117 PolarHBondContact O-N 3.2Å; W115-A117 VanDerWaalsContact O-N 3.1Å; A117-K122 WeakPolarHBondContact O-CE 3.21Å
118H88.6Confident86Confident1 Ų158.8 Ų58.81%0.00530%0.302CS..SBendtrans-69.4135.8-177.6-168.3-84000110.8L53 T56 W110 W115 V120 V121 K122L53-H118 HydrophobicContact CD2-CB 4.15Å; L53-H118 VanDerWaalsContact CD2-ND1 3.34Å; L53-H118 WeakPolarHBondContact CD2-ND1 3.27Å; T56-H118 VanDerWaalsContact CB-NE2 3.26Å; T56-H118 WeakPolarHBondContact CB-NE2 3.47Å; T56-H118 WeakPolarHBondContact CG2-NE2 3.45Å; W110-H118 AromaticContact CD2-CD2 3.86Å; W110-H118 AromaticContact CE3-CD2 3.65Å; W110-H118 AromaticContact CH2-CD2 3.95Å; W110-H118 AromaticContact CZ3-CD2 3.69Å; W115-H118 HydrophobicContact CB-CB 4.48Å; W115-H118 WeakPolarHBondContact O-CB 3.37Å; W115-H118 PolarHBondContact O-N 3.46Å; H118-V120 VanDerWaalsContact C-N 3.28Å; H118-V120 WeakPolarHBondContact ND1-CB 3.38Å; H118-V120 PolarHBondContact ND1-N 2.9Å; H118-V120 VanDerWaalsContact ND1-N 3.15Å; H118-V120 PolarHBondContact O-N 2.86Å; H118-V121 HydrophobicContact CB-CB 4.37Å; H118-V121 HydrophobicContact CB-CG2 4.22Å; H118-V121 PolarHBondContact O-N 3.09Å; H118-K122 PolarHBondContact O-N 2.85Å
119P88.1Confident86.3Confident78 Ų7859 Ų5951%0.50632%0.315SS..Hα-helixtrans-54.4-40.3-177.4-27.234000114.1K122 N123P119-K122 PolarHBondContact O-N 3.29Å; P119-N123 WeakPolarHBondContact O-CB 3.17Å; P119-N123 PolarHBondContact O-N 3.25Å
120V90.9Very high86.8Confident3 Ų355.5 Ų55.52%0.01830%0.301CS..Hα-helixtrans-63.8-46176.7178.50000111.4I49 L53 H118 N123 L124 V173 L175I49-V120 HydrophobicContact CD1-CG1 4.42Å; L53-V120 HydrophobicContact CD2-CB 4.31Å; H118-V120 VanDerWaalsContact C-N 3.28Å; H118-V120 WeakPolarHBondContact ND1-CB 3.38Å; H118-V120 PolarHBondContact ND1-N 2.9Å; H118-V120 VanDerWaalsContact ND1-N 3.15Å; H118-V120 PolarHBondContact O-N 2.86Å; V120-N123 WeakPolarHBondContact O-CB 3.15Å; V120-N123 PolarHBondContact O-N 2.89Å; V120-L124 HydrophobicContact CG1-CD1 4.28Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 2.93Å; V120-V173 HydrophobicContact CG2-CB 3.94Å; V120-L175 HydrophobicContact CG1-CD1 4.11Å
121V91.4Very high87.2Confident0 Ų055.5 Ų55.50%030%0.302CS..Hα-helixtrans-67.7-38.8178.91770000111.2L53 W115 H118 N123 L124 R125 W131L53-V121 HydrophobicContact CD1-CG2 4.49Å; L53-V121 HydrophobicContact CD2-CG2 3.83Å; W115-V121 HydrophobicContact CB-CG2 3.67Å; W115-V121 VanDerWaalsContact O-CB 3.28Å; W115-V121 WeakPolarHBondContact O-CB 3.28Å; W115-V121 WeakPolarHBondContact O-CG2 3.21Å; H118-V121 HydrophobicContact CB-CB 4.37Å; H118-V121 HydrophobicContact CB-CG2 4.22Å; H118-V121 PolarHBondContact O-N 3.09Å; V121-N123 VanDerWaalsContact C-N 3.27Å; V121-N123 PolarHBondContact O-N 3.37Å; V121-L124 PolarHBondContact O-N 2.94Å; V121-R125 HydrophobicContact CG1-CG 4.17Å; V121-R125 WeakPolarHBondContact O-CB 3.15Å; V121-R125 WeakPolarHBondContact O-CG 3.25Å; V121-R125 PolarHBondContact O-N 3.46Å; V121-W131 HydrophobicContact CG1-CB 4.26Å; V121-W131 HydrophobicContact CG1-CD2 3.69Å; V121-W131 HydrophobicContact CG1-CE3 4.29Å; V121-W131 HydrophobicContact CG1-CG 3.68Å; V121-W131 HydrophobicContact CG2-CD2 4.18Å; V121-W131 HydrophobicContact CG2-CE3 3.98Å; V121-W131 HydrophobicContact CG2-CH2 4.29Å; V121-W131 HydrophobicContact CG2-CZ2 4.48Å; V121-W131 HydrophobicContact CG2-CZ3 4.04Å
122K90.3Very high87.8Confident121 Ų12155.6 Ų55.653%0.52630%0.302SS..Hα-helixtrans-58.2-40.9172.5-74-174.3176-177.20112G116 A117 H118 P119G116-K122 WeakPolarHBondContact O-CG 3.45Å; A117-K122 WeakPolarHBondContact O-CE 3.21Å; H118-K122 PolarHBondContact O-N 2.85Å; P119-K122 PolarHBondContact O-N 3.29Å
123N90.6Very high88.5Confident9 Ų953.3 Ų53.35%0.04830%0.297CS..Hα-helixtrans-67.2-42.8175.9174.1-98.4000112.1P119 V120 V121 R125 M126 Y127 L175 A208 V209P119-N123 WeakPolarHBondContact O-CB 3.17Å; P119-N123 PolarHBondContact O-N 3.25Å; V120-N123 WeakPolarHBondContact O-CB 3.15Å; V120-N123 PolarHBondContact O-N 2.89Å; V121-N123 VanDerWaalsContact C-N 3.27Å; V121-N123 PolarHBondContact O-N 3.37Å; N123-R125 PolarHBondContact O-N 2.98Å; N123-M126 PolarHBondContact O-N 2.8Å; N123-Y127 WeakPolarHBondContact O-CD2 3.4Å; N123-L175 PolarHBondContact ND2-O 3.4Å; N123-L175 WeakPolarHBondContact OD1-CB 3.41Å; N123-L175 PolarHBondContact OD1-O 2.76Å; N123-L175 VanDerWaalsContact OD1-O 3.11Å; N123-A208 PolarHBondContact ND2-O 3.3Å; N123-V209 WeakPolarHBondContact ND2-CG2 3.15Å
124L92.4Very high89.1Confident0 Ų052.1 Ų52.10%028%0.282CS..Hα-helixtrans-63-40.1175.3-67.5175.7000112.4I49 V120 V121 M126 Y127 D128 W131 V134 A135 I138 L175I49-L124 HydrophobicContact CD1-CD1 4.38Å; I49-L124 HydrophobicContact CG2-CD1 4.09Å; V120-L124 HydrophobicContact CG1-CD1 4.28Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 2.93Å; V121-L124 PolarHBondContact O-N 2.94Å; L124-M126 PolarHBondContact O-N 2.94Å; L124-M126 VanDerWaalsContact O-N 3.15Å; L124-Y127 PolarHBondContact O-N 3.21Å; L124-D128 PolarHBondContact O-N 3.42Å; L124-W131 HydrophobicContact CB-CB 3.97Å; L124-W131 HydrophobicContact CD1-CE3 4.13Å; L124-V134 HydrophobicContact CD2-CG1 3.87Å; L124-A135 HydrophobicContact CD1-CB 4.16Å; L124-I138 HydrophobicContact CD2-CD1 3.48Å; L124-I138 VanDerWaalsContact CD2-CD1 3.48Å; L124-L175 HydrophobicContact CD2-CD1 3.66Å; L124-L175 HydrophobicContact CG-CD1 4.23Å
125R91.3Very high89.7Confident110 Ų11048.8 Ų48.842%0.41527%0.265SS..THydrogen-bonded Turntrans-63.7-16.8179.2-77.6-175.3-176.7-1680.6114.4V121 N123 D128 W131V121-R125 HydrophobicContact CG1-CG 4.17Å; V121-R125 WeakPolarHBondContact O-CB 3.15Å; V121-R125 WeakPolarHBondContact O-CG 3.25Å; V121-R125 PolarHBondContact O-N 3.46Å; N123-R125 PolarHBondContact O-N 2.98Å; R125-D128 VanDerWaalsContact CA-O 3.28Å; R125-D128 WeakPolarHBondContact CA-O 3.4Å; R125-W131 HydrophobicContact CG-CB 3.88Å; R125-W131 HydrophobicContact CG-CG 4.35Å
126M90.3Very high90.1Very high92 Ų9250.3 Ų50.345%0.45328%0.283SS..THydrogen-bonded Turntrans-74.8-17.2173.7-65.1-157.4-116.100113N123 L124 A208N123-M126 PolarHBondContact O-N 2.8Å; L124-M126 PolarHBondContact O-N 2.94Å; L124-M126 VanDerWaalsContact O-N 3.15Å; M126-A208 HydrophobicContact CB-CB 4.33Å; M126-A208 VanDerWaalsContact CE-CA 3.49Å; M126-A208 HydrophobicContact CE-CB 4.27Å; M126-A208 WeakPolarHBondContact CE-O 3.21Å; M126-A208 HydrophobicContact SD-CB 4.22Å
127Y89.6Confident90.6Very high47 Ų4754 Ų5418%0.18430%0.296CS..THydrogen-bonded Turntrans-95.6-42.6177.7-65-76.2000112.1N123 L124 W164 V176 K177 D180 I206 A208N123-Y127 WeakPolarHBondContact O-CD2 3.4Å; L124-Y127 PolarHBondContact O-N 3.21Å; Y127-W164 HydrophobicContact CD1-CH2 4.22Å; Y127-W164 AromaticContact CD2-CH2 3.68Å; Y127-W164 HydrophobicContact CD2-CH2 3.68Å; Y127-W164 AromaticContact CD2-CZ3 3.88Å; Y127-W164 HydrophobicContact CD2-CZ3 3.88Å; Y127-W164 HydrophobicContact CE1-CH2 4.44Å; Y127-W164 HydrophobicContact CE1-CZ3 4.43Å; Y127-W164 AromaticContact CE2-CH2 3.93Å; Y127-W164 HydrophobicContact CE2-CH2 3.93Å; Y127-W164 AromaticContact CE2-CZ3 3.63Å; Y127-W164 HydrophobicContact CE2-CZ3 3.63Å; Y127-W164 AromaticContact CG-CH2 3.83Å; Y127-W164 HydrophobicContact CG-CH2 3.83Å; Y127-W164 HydrophobicContact CG-CZ3 4.37Å; Y127-W164 AromaticContact CZ-CZ3 3.94Å; Y127-V176 WeakPolarHBondContact OH-CA 3.45Å; Y127-K177 HydrophobicContact CD1-CB 4.3Å; Y127-K177 HydrophobicContact CD1-CD 4.39Å; Y127-K177 HydrophobicContact CE1-CB 3.67Å; Y127-K177 PolarHBondContact OH-N 3.45Å; Y127-D180 WeakPolarHBondContact CE1-OD2 3.25Å; Y127-I206 HydrophobicContact CD1-CD1 4.46Å; Y127-I206 HydrophobicContact CE1-CD1 4.19Å; Y127-A208 HydrophobicContact CE2-CB 4.04Å
128D89.4Confident91.1Very high76 Ų7651.5 Ų51.541%0.40628%0.275SS..  trans-148.8144.8174.3-160.9-26.9000110.1L124 R125 G130 V134L124-D128 PolarHBondContact O-N 3.42Å; R125-D128 VanDerWaalsContact CA-O 3.28Å; R125-D128 WeakPolarHBondContact CA-O 3.4Å; D128-G130 PolarHBondContact O-N 3.23Å; D128-G130 PolarHBondContact OD1-N 3.43Å; D128-G130 VanDerWaalsContact OD1-N 3.11Å; D128-V134 HydrophobicContact CB-CG2 3.58Å
129S85.6Confident91.4Very high107 Ų10752.7 Ų52.775%0.74828%0.282SS*.SBendtrans-53.2-39.1167.861.90000112.5W131S129-W131 VanDerWaalsContact C-N 3.34Å; S129-W131 PolarHBondContact O-N 3.49Å; S129-W131 VanDerWaalsContact O-N 3.08Å
130G89.2Confident91.7Very high20 Ų2052 Ų5221%0.20628%0.278CS..  trans-8167.9175.900000112.9D128 Q132 D133D128-G130 PolarHBondContact O-N 3.23Å; D128-G130 PolarHBondContact OD1-N 3.43Å; D128-G130 VanDerWaalsContact OD1-N 3.11Å; G130-Q132 PolarHBondContact O-N 2.88Å; G130-D133 PolarHBondContact O-N 3.44Å
131W91.5Very high91.7Very high23 Ų2352.4 Ų52.49%0.08728%0.28CS..Hα-helixtrans-56.7-24.5-175.171.5-86.8000114.7L53 W115 V121 L124 R125 S129 A135L53-W131 HydrophobicContact CD1-CH2 4.31Å; L53-W131 HydrophobicContact CD1-CZ3 4.17Å; W115-W131 HydrophobicContact CB-CH2 4.41Å; W115-W131 HydrophobicContact CB-CZ2 4.33Å; V121-W131 HydrophobicContact CG1-CB 4.26Å; V121-W131 HydrophobicContact CG1-CD2 3.69Å; V121-W131 HydrophobicContact CG1-CE3 4.29Å; V121-W131 HydrophobicContact CG1-CG 3.68Å; V121-W131 HydrophobicContact CG2-CD2 4.18Å; V121-W131 HydrophobicContact CG2-CE3 3.98Å; V121-W131 HydrophobicContact CG2-CH2 4.29Å; V121-W131 HydrophobicContact CG2-CZ2 4.48Å; V121-W131 HydrophobicContact CG2-CZ3 4.04Å; L124-W131 HydrophobicContact CB-CB 3.97Å; L124-W131 HydrophobicContact CD1-CE3 4.13Å; R125-W131 HydrophobicContact CG-CB 3.88Å; R125-W131 HydrophobicContact CG-CG 4.35Å; S129-W131 VanDerWaalsContact C-N 3.34Å; S129-W131 PolarHBondContact O-N 3.49Å; S129-W131 VanDerWaalsContact O-N 3.08Å; W131-A135 HydrophobicContact CE3-CB 4.36Å; W131-A135 VanDerWaalsContact O-CB 3.31Å; W131-A135 WeakPolarHBondContact O-CB 3.27Å; W131-A135 PolarHBondContact O-N 3.31Å
132Q92.2Very high91.8Very high104 Ų10452.9 Ų52.949%0.48628%0.282SS..Hα-helixtrans-68.4-38.3179-68.1157.7-16.500111.8G130 A135 A136G130-Q132 PolarHBondContact O-N 2.88Å; Q132-A135 WeakPolarHBondContact O-CB 3.39Å; Q132-A135 PolarHBondContact O-N 2.91Å; Q132-A136 WeakPolarHBondContact O-CB 3.49Å; Q132-A136 PolarHBondContact O-N 2.9Å
133D92.5Very high92Very high116 Ų11651.7 Ų51.762%0.6228%0.278SS*.Hα-helixtrans-70.2-41.8177.8-61.9-41.3000110.6G130 A135 A136 H137G130-D133 PolarHBondContact O-N 3.44Å; D133-A135 VanDerWaalsContact C-N 3.29Å; D133-A135 PolarHBondContact O-N 3.25Å; D133-A136 PolarHBondContact O-N 2.94Å; D133-H137 PolarHBondContact O-N 3.35Å
134V93.4Very high92Very high18 Ų1855.1 Ų55.111%0.10929%0.294CS..Hα-helixtrans-60.5-42172.6-172.30000110.4L124 D128 H137 I138 W164L124-V134 HydrophobicContact CD2-CG1 3.87Å; D128-V134 HydrophobicContact CB-CG2 3.58Å; V134-H137 PolarHBondContact O-N 3.06Å; V134-I138 HydrophobicContact CG1-CD1 4.03Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.5Å; V134-I138 PolarHBondContact O-N 3.05Å; V134-W164 HydrophobicContact CG1-CH2 3.73Å; V134-W164 HydrophobicContact CG1-CZ2 3.61Å
135A94.1Very high91.7Very high7 Ų762.2 Ų62.26%0.05833%0.331CS..Hα-helixtrans-63.8-44.6176.800000112.3I49 L124 W131 Q132 D133 H137 I138 D139I49-A135 HydrophobicContact CB-CB 4.02Å; I49-A135 HydrophobicContact CG1-CB 3.89Å; I49-A135 HydrophobicContact CG2-CB 3.85Å; L124-A135 HydrophobicContact CD1-CB 4.16Å; W131-A135 HydrophobicContact CE3-CB 4.36Å; W131-A135 VanDerWaalsContact O-CB 3.31Å; W131-A135 WeakPolarHBondContact O-CB 3.27Å; W131-A135 PolarHBondContact O-N 3.31Å; Q132-A135 WeakPolarHBondContact O-CB 3.39Å; Q132-A135 PolarHBondContact O-N 2.91Å; D133-A135 VanDerWaalsContact C-N 3.29Å; D133-A135 PolarHBondContact O-N 3.25Å; A135-H137 VanDerWaalsContact C-N 3.31Å; A135-H137 PolarHBondContact O-N 2.99Å; A135-I138 PolarHBondContact O-N 3.44Å; A135-D139 WeakPolarHBondContact O-CB 2.97Å; A135-D139 PolarHBondContact O-N 3.49Å
136A93.5Very high91.6Very high58 Ų5860.8 Ų60.848%0.47933%0.332SS..Hα-helixtrans-62-39.7176.900000111.8Q132 D133 D139 S140Q132-A136 WeakPolarHBondContact O-CB 3.49Å; Q132-A136 PolarHBondContact O-N 2.9Å; D133-A136 PolarHBondContact O-N 2.94Å; A136-D139 PolarHBondContact O-N 3.15Å; A136-S140 WeakPolarHBondContact O-CB 3.45Å; A136-S140 PolarHBondContact O-N 3.44Å
137H94.1Very high91.7Very high92 Ų9258.6 Ų58.643%0.42632%0.32SS..Hα-helixtrans-64.3-45.1175-171.8-83.4000111.8D133 V134 A135 D139 S140 E141 W164D133-H137 PolarHBondContact O-N 3.35Å; V134-H137 PolarHBondContact O-N 3.06Å; A135-H137 VanDerWaalsContact C-N 3.31Å; A135-H137 PolarHBondContact O-N 2.99Å; H137-D139 VanDerWaalsContact C-N 3.35Å; H137-D139 PolarHBondContact O-N 3.47Å; H137-S140 PolarHBondContact O-N 3.02Å; H137-S140 PolarHBondContact O-OG 3.35Å; H137-E141 IonicContact CE1-OE1 3.22Å; H137-E141 PolarHBondContact CE1-OE1 3.38Å; H137-E141 IonicContact ND1-OE1 2.81Å; H137-E141 PolarHBondContact O-N 2.86Å; H137-W164 AromaticContact ND1-NE1 3.9Å
138I94.3Very high91.8Very high0 Ų057.3 Ų57.30%032%0.315CS..Hα-helixtrans-61.8-43.7175.9-68.6166.2000110.9F48 I49 L124 V134 A135 S140 E141 Y142 W164 L175F48-I138 HydrophobicContact CD1-CG2 4.25Å; I49-I138 HydrophobicContact CD1-CD1 4.33Å; I49-I138 HydrophobicContact CD1-CG2 4.05Å; I49-I138 HydrophobicContact CG1-CB 4.37Å; I49-I138 HydrophobicContact CG1-CG2 4.21Å; L124-I138 HydrophobicContact CD2-CD1 3.48Å; L124-I138 VanDerWaalsContact CD2-CD1 3.48Å; V134-I138 HydrophobicContact CG1-CD1 4.03Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.5Å; V134-I138 PolarHBondContact O-N 3.05Å; A135-I138 PolarHBondContact O-N 3.44Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 2.9Å; I138-E141 PolarHBondContact O-N 3.17Å; I138-Y142 VanDerWaalsContact O-CB 3.29Å; I138-Y142 WeakPolarHBondContact O-CB 3.5Å; I138-Y142 PolarHBondContact O-N 3.08Å; I138-W164 HydrophobicContact CD1-CD2 3.94Å; I138-W164 HydrophobicContact CD1-CE3 4.13Å; I138-W164 HydrophobicContact CD1-CH2 4.14Å; I138-W164 HydrophobicContact CD1-CZ2 3.96Å; I138-W164 HydrophobicContact CD1-CZ3 4.22Å; I138-W164 HydrophobicContact CG1-CD2 3.83Å; I138-W164 HydrophobicContact CG1-CG 4.01Å; I138-W164 HydrophobicContact CG1-CZ2 4.06Å; I138-L175 HydrophobicContact CD1-CD1 4.15Å
139D94.5Very high91.9Very high26 Ų2657 Ų5714%0.13932%0.316CS..Hα-helixtrans-61-43.3178.3-76.2-10.7000110.8S47 F48 I49 A135 A136 H137 Y142 E143S47-D139 WeakPolarHBondContact CA-OD2 3.33Å; F48-D139 WeakPolarHBondContact CA-OD1 3.2Å; F48-D139 WeakPolarHBondContact CB-OD1 3.37Å; F48-D139 PolarHBondContact N-OD1 2.79Å; I49-D139 PolarHBondContact N-OD1 3.39Å; A135-D139 WeakPolarHBondContact O-CB 2.97Å; A135-D139 PolarHBondContact O-N 3.49Å; A136-D139 PolarHBondContact O-N 3.15Å; H137-D139 VanDerWaalsContact C-N 3.35Å; H137-D139 PolarHBondContact O-N 3.47Å; D139-Y142 PolarHBondContact O-N 3.34Å; D139-E143 PolarHBondContact O-N 3.47Å
140S93.8Very high92.2Very high62 Ų6252 Ų5243%0.43428%0.281SS..Hα-helixtrans-64.4-40.4176.875.60000113.2A136 H137 I138A136-S140 WeakPolarHBondContact O-CB 3.45Å; A136-S140 PolarHBondContact O-N 3.44Å; H137-S140 PolarHBondContact O-N 3.02Å; H137-S140 PolarHBondContact O-OG 3.35Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 2.9Å
141E92.8Very high92.2Very high12 Ų1256.4 Ų56.46%0.05630%0.296CS..Hα-helixtrans-69.9-34.5174.3-78.2-162.3-174.500112H137 I138 E143 Q144 T161 N162 S163H137-E141 IonicContact CE1-OE1 3.22Å; H137-E141 PolarHBondContact CE1-OE1 3.38Å; H137-E141 IonicContact ND1-OE1 2.81Å; H137-E141 PolarHBondContact O-N 2.86Å; I138-E141 PolarHBondContact O-N 3.17Å; E141-E143 VanDerWaalsContact C-N 3.3Å; E141-E143 PolarHBondContact O-N 3.36Å; E141-Q144 WeakPolarHBondContact O-CB 3.38Å; E141-Q144 PolarHBondContact O-N 2.88Å; E141-T161 HydrophobicContact CB-CG2 4.41Å; E141-T161 VanDerWaalsContact OE2-CB 3.26Å; E141-T161 WeakPolarHBondContact OE2-CB 3.14Å; E141-T161 PolarHBondContact OE2-OG1 2.87Å; E141-N162 PolarHBondContact OE2-N 2.77Å; E141-S163 WeakPolarHBondContact OE1-CB 3.39Å; E141-S163 PolarHBondContact OE1-N 2.81Å; E141-S163 PolarHBondContact OE1-OG 3.09Å; E141-S163 PolarHBondContact OE2-N 3.31Å
142Y92.8Very high91.9Very high10 Ų1056.2 Ų56.24%0.03930%0.297CS..Hα-helixtrans-71.1-27.9179.5-165.4-98.5000112.1E44 F48 I138 D139 Q144 K147 V159 T161E44-Y142 HydrophobicContact CG-CE1 4.3Å; E44-Y142 PolarHBondContact OE1-OH 3.23Å; F48-Y142 HydrophobicContact CB-CD1 3.78Å; F48-Y142 HydrophobicContact CB-CE1 4.27Å; F48-Y142 HydrophobicContact CB-CG 3.94Å; F48-Y142 AromaticContact CD2-CD1 3.81Å; F48-Y142 HydrophobicContact CD2-CD1 3.81Å; F48-Y142 AromaticContact CD2-CD2 3.95Å; F48-Y142 HydrophobicContact CD2-CD2 3.95Å; F48-Y142 AromaticContact CD2-CE1 3.5Å; F48-Y142 HydrophobicContact CD2-CE1 3.5Å; F48-Y142 VanDerWaalsContact CD2-CE1 3.5Å; F48-Y142 AromaticContact CD2-CE2 3.66Å; F48-Y142 HydrophobicContact CD2-CE2 3.66Å; F48-Y142 HydrophobicContact CD2-CG 4.01Å; F48-Y142 AromaticContact CD2-CZ 3.41Å; F48-Y142 VanDerWaalsContact CD2-CZ 3.41Å; F48-Y142 HydrophobicContact CE2-CD2 4.34Å; F48-Y142 HydrophobicContact CE2-CE1 4.25Å; F48-Y142 AromaticContact CE2-CE2 3.76Å; F48-Y142 HydrophobicContact CE2-CE2 3.76Å; F48-Y142 AromaticContact CE2-CZ 3.69Å; F48-Y142 HydrophobicContact CG-CD1 4.05Å; F48-Y142 HydrophobicContact CG-CD2 4.16Å; F48-Y142 HydrophobicContact CG-CE1 4.21Å; F48-Y142 HydrophobicContact CG-CE2 4.33Å; F48-Y142 HydrophobicContact CG-CG 4.01Å; I138-Y142 VanDerWaalsContact O-CB 3.29Å; I138-Y142 WeakPolarHBondContact O-CB 3.5Å; I138-Y142 PolarHBondContact O-N 3.08Å; D139-Y142 PolarHBondContact O-N 3.34Å; Y142-Q144 PolarHBondContact O-N 3.36Å; Y142-K147 HydrophobicContact CD2-CD 4.33Å; Y142-K147 HydrophobicContact CE2-CD 4.42Å; Y142-K147 WeakPolarHBondContact O-CD 3.24Å; Y142-K147 WeakPolarHBondContact O-CE 3.22Å; Y142-K147 PolarHBondContact O-NZ 3.39Å; Y142-V159 HydrophobicContact CD2-CG1 4.29Å; Y142-V159 HydrophobicContact CE2-CB 4.34Å; Y142-V159 HydrophobicContact CE2-CG1 3.86Å; Y142-V159 HydrophobicContact CE2-CG2 4.22Å; Y142-T161 HydrophobicContact CD2-CG2 4.44Å
143E93.4Very high91.2Very high96 Ų9654.8 Ų54.845%0.44930%0.298SS..Hα-helixtrans-67.8-27.3177.4-171.3167.9-168.200112.6R45 D139 E141R45-E143 PolarHBondContact NE-O 3.43Å; R45-E143 PolarHBondContact NH2-O 2.86Å; D139-E143 PolarHBondContact O-N 3.47Å; E141-E143 VanDerWaalsContact C-N 3.3Å; E141-E143 PolarHBondContact O-N 3.36Å
144Q90.7Very high90.2Very high81 Ų8152.7 Ų52.738%0.37931%0.305SS..SBendtrans-61.1143.1-179.1-60.4177.1-29.500112.1E141 Y142 D146 N162E141-Q144 WeakPolarHBondContact O-CB 3.38Å; E141-Q144 PolarHBondContact O-N 2.88Å; Y142-Q144 PolarHBondContact O-N 3.36Å; Q144-D146 VanDerWaalsContact C-N 3.31Å; Q144-D146 WeakPolarHBondContact CB-OD1 3.36Å; Q144-N162 PolarHBondContact OE1-ND2 3.47Å
145L87Confident89.4Confident150 Ų15054.4 Ų54.479%0.78533%0.325SS*.THydrogen-bonded Turntrans-76.3-20.3-179.3-70.1172.2000112.9K147L145-K147 PolarHBondContact O-N 3.23Å
146D89.3Confident89.1Confident80 Ų8058.9 Ų58.943%0.42834%0.341SS..THydrogen-bonded Turntrans-81.214.1-173.273.3-25.9000113.5Q144 N162 K227Q144-D146 VanDerWaalsContact C-N 3.31Å; Q144-D146 WeakPolarHBondContact CB-OD1 3.36Å; D146-N162 PolarHBondContact OD2-ND2 3.42Å; D146-N162 VanDerWaalsContact OD2-ND2 3.07Å; D146-N162 PolarHBondContact OD2-OD1 3.18Å; D146-K227 WeakPolarHBondContact O-CD 3.42Å; D146-K227 WeakPolarHBondContact O-CE 3.23Å; D146-K227 PolarHBondContact O-NZ 3.42Å; D146-K227 IonicContact OD1-NZ 2.8Å; D146-K227 IonicContact OD2-NZ 2.8Å; D146-K227 PolarHBondContact OD2-NZ 3.25Å
147K91.7Very high88.9Confident46 Ų4659.5 Ų59.520%0.233%0.331CS..  trans-81140178.566.7-170.5177.8-169.50111.9Y142 L145 V149 V159 V160 T161Y142-K147 HydrophobicContact CD2-CD 4.33Å; Y142-K147 HydrophobicContact CE2-CD 4.42Å; Y142-K147 WeakPolarHBondContact O-CD 3.24Å; Y142-K147 WeakPolarHBondContact O-CE 3.22Å; Y142-K147 PolarHBondContact O-NZ 3.39Å; L145-K147 PolarHBondContact O-N 3.23Å; K147-V149 HydrophobicContact CD-CG2 4.41Å; K147-V149 HydrophobicContact CG-CG2 4.03Å; K147-V159 HydrophobicContact CB-CG1 4.29Å; K147-V159 HydrophobicContact CD-CG1 4.23Å; K147-V159 HydrophobicContact CG-CG1 4.46Å; K147-V160 WeakPolarHBondContact CA-O 3.44Å; K147-T161 HydrophobicContact CB-CG2 4.5Å
148F92.4Very high88.9Confident19 Ų1955.2 Ų55.28%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-82.4128.8171.3172.1-95.8000109.3A150 F158 V159 V160 F216 L220 D223 L224 K227F148-A150 HydrophobicContact CE1-CB 3.66Å; F148-A150 HydrophobicContact CZ-CB 3.78Å; F148-F158 HydrophobicContact CD1-CD1 4.41Å; F148-F158 HydrophobicContact CE1-CD1 4.15Å; F148-V159 CarbonylContact O-C 3.53Å; F148-V159 VanDerWaalsContact O-CA 3.23Å; F148-V159 WeakPolarHBondContact O-CA 3.19Å; F148-V159 WeakPolarHBondContact O-CG1 3.49Å; F148-V160 HydrophobicContact CB-CB 4.2Å; F148-V160 HydrophobicContact CD1-CB 4.37Å; F148-V160 HydrophobicContact CD1-CG2 4.15Å; F148-V160 PolarHBondContact N-O 3.16Å; F148-V160 PolarHBondContact O-N 3.48Å; F148-F216 HydrophobicContact CE1-CE1 4.46Å; F148-L220 HydrophobicContact CE2-CD2 4.45Å; F148-L220 HydrophobicContact CZ-CB 4.29Å; F148-D223 HydrophobicContact CD2-CB 3.94Å; F148-D223 HydrophobicContact CE2-CB 3.75Å; F148-L224 HydrophobicContact CD1-CD1 3.86Å; F148-L224 HydrophobicContact CE1-CB 4.07Å; F148-L224 HydrophobicContact CE1-CD1 3.8Å; F148-L224 HydrophobicContact CE1-CG 4.42Å; F148-L224 HydrophobicContact CE2-CB 4.28Å; F148-L224 HydrophobicContact CZ-CB 3.91Å; F148-L224 HydrophobicContact CZ-CD1 4.5Å; F148-K227 HydrophobicContact CB-CB 4.04Å; F148-K227 HydrophobicContact CB-CG 4.03Å
149V92.1Very high88.9Confident69 Ų6955.2 Ų55.242%0.41831%0.311SS..EExtended strand (participates in β ladder)trans-126.4121177.5-176.70000109.2K147 R157 V159K147-V149 HydrophobicContact CD-CG2 4.41Å; K147-V149 HydrophobicContact CG-CG2 4.03Å; V149-R157 HydrophobicContact CG1-CG 3.96Å; V149-V159 HydrophobicContact CG1-CG2 4.26Å; V149-V159 HydrophobicContact CG2-CG1 4.2Å; V149-V159 HydrophobicContact CG2-CG2 4.21Å
150A90.8Very high88.9Confident2 Ų254 Ų542%0.01730%0.304CS..EExtended strand (participates in β ladder)trans-118.3126.8172.400000110.6F148 F158 F216 L220F148-A150 HydrophobicContact CE1-CB 3.66Å; F148-A150 HydrophobicContact CZ-CB 3.78Å; A150-F158 HydrophobicContact CB-CB 4.37Å; A150-F158 PolarHBondContact N-O 2.82Å; A150-F158 PolarHBondContact O-N 2.98Å; A150-F216 HydrophobicContact CB-CD1 4.23Å; A150-F216 HydrophobicContact CB-CE1 3.98Å; A150-L220 HydrophobicContact CB-CD1 4.23Å
151Q88.8Confident88.9Confident114 Ų11451.1 Ų51.153%0.53328%0.284SS..EExtended strand (participates in β ladder)trans-88119.4170.5-160.770.42800108.8G155Q151-G155 PolarHBondContact NE2-O 3.05Å
152L85.3Confident88.9Confident18 Ų1852.1 Ų52.19%0.09429%0.29CS..PPolyproline II helixtrans-98.4168.8-175.3-55.2163.3000111.1G154 G155 R156 F158 V214 R215 F216L152-G154 PolarHBondContact O-N 3.28Å; L152-G155 PolarHBondContact O-N 3.17Å; L152-R156 HydrophobicContact CB-CB 3.98Å; L152-R156 WeakPolarHBondContact CB-O 3.31Å; L152-R156 HydrophobicContact CD1-CB 3.75Å; L152-R156 HydrophobicContact CG-CB 4.46Å; L152-R156 PolarHBondContact N-O 2.81Å; L152-F158 HydrophobicContact CD1-CB 3.9Å; L152-F158 HydrophobicContact CD2-CB 4.49Å; L152-F158 HydrophobicContact CG-CB 4.23Å; L152-V214 HydrophobicContact CD1-CG1 3.41Å; L152-V214 VanDerWaalsContact CD1-CG1 3.41Å; L152-V214 HydrophobicContact CD2-CG1 3.33Å; L152-V214 HydrophobicContact CG-CG1 3.99Å; L152-R215 WeakPolarHBondContact CD2-O 3.44Å; L152-F216 HydrophobicContact CD2-CD1 4.06Å; L152-F216 HydrophobicContact CD2-CE1 3.93Å; L152-F216 HydrophobicContact CD2-CZ 4.48Å
153S77.4Confident88.9Confident74 Ų7452.6 Ų52.652%0.51730%0.295SS..G310 helixtrans-56.4137.317058.60000111.5
154G72.9Confident89Confident73 Ų7348.3 Ų48.375%0.75327%0.274SS*.G310 helixtrans8314.8178.700000115.1L152 R156L152-G154 PolarHBondContact O-N 3.28Å; G154-R156 VanDerWaalsContact C-N 3.27Å; G154-R156 PolarHBondContact O-N 3.11Å
155G76.9Confident89.2Confident53 Ų5344.5 Ų44.555%0.54626%0.257SS..G310 helixtrans81.35.1176.200000114.3Q151 L152Q151-G155 PolarHBondContact NE2-O 3.05Å; L152-G155 PolarHBondContact O-N 3.17Å
156R86.1Confident89.5Confident102 Ų10237.4 Ų37.439%0.38522%0.219SC..  trans-69.6141.4174.6-63.2174.5178173.3-7.9110.4L152 G154 V168 D169L152-R156 HydrophobicContact CB-CB 3.98Å; L152-R156 WeakPolarHBondContact CB-O 3.31Å; L152-R156 HydrophobicContact CD1-CB 3.75Å; L152-R156 HydrophobicContact CG-CB 4.46Å; L152-R156 PolarHBondContact N-O 2.81Å; G154-R156 VanDerWaalsContact C-N 3.27Å; G154-R156 PolarHBondContact O-N 3.11Å; R156-V168 CarbonylContact C-O 3.56Å; R156-V168 VanDerWaalsContact CA-O 3.26Å; R156-V168 WeakPolarHBondContact CA-O 3.44Å; R156-D169 HydrophobicContact CG-CB 3.94Å; R156-D169 WeakPolarHBondContact CG-OD1 3.06Å; R156-D169 IonicContact CZ-OD1 2.89Å; R156-D169 IonicContact CZ-OD2 3.8Å; R156-D169 IonicContact NE-OD1 3.77Å; R156-D169 PolarHBondContact NE-OD1 3Å; R156-D169 IonicContact NE-OD2 2.91Å; R156-D169 PolarHBondContact NE-OD2 2.88Å; R156-D169 IonicContact NH2-OD1 3.82Å; R156-D169 IonicContact NH2-OD2 3.8Å; R156-D169 PolarHBondContact NH2-OD2 3.23Å
157R90.9Very high89.8Confident71 Ų7133.9 Ų33.927%0.26820%0.201SC..EExtended strand (participates in β ladder)trans-114.3131174.8-167.6-177.6-68.3155.7-0.7109.1E44 V149 V159 V167 V168E44-R157 VanDerWaalsContact CD-NH1 3.26Å; E44-R157 IonicContact OE1-NH1 3.12Å; E44-R157 PolarHBondContact OE1-NH1 3.41Å; E44-R157 IonicContact OE2-NH1 3.63Å; E44-R157 PolarHBondContact OE2-NH1 3.41Å; V149-R157 HydrophobicContact CG1-CG 3.96Å; R157-V159 HydrophobicContact CG-CG2 3.86Å; R157-V167 WeakPolarHBondContact O-CA 3.39Å; R157-V168 HydrophobicContact CB-CB 4.25Å; R157-V168 PolarHBondContact N-O 3.41Å; R157-V168 PolarHBondContact O-N 2.9Å
158F93.6Very high89.8Confident1 Ų132.2 Ų32.20%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-111.6119.2173.6-171.7-92.1000108.3F148 A150 L152 V160 I165 V167 V202 F212 V214 F216 L224F148-F158 HydrophobicContact CD1-CD1 4.41Å; F148-F158 HydrophobicContact CE1-CD1 4.15Å; A150-F158 HydrophobicContact CB-CB 4.37Å; A150-F158 PolarHBondContact N-O 2.82Å; A150-F158 PolarHBondContact O-N 2.98Å; L152-F158 HydrophobicContact CD1-CB 3.9Å; L152-F158 HydrophobicContact CD2-CB 4.49Å; L152-F158 HydrophobicContact CG-CB 4.23Å; F158-V160 HydrophobicContact CD1-CG2 3.88Å; F158-V160 HydrophobicContact CE1-CG2 3.23Å; F158-V160 HydrophobicContact CZ-CG2 3.97Å; F158-I165 HydrophobicContact CE1-CG2 4.32Å; F158-I165 HydrophobicContact CE2-CG2 3.61Å; F158-I165 HydrophobicContact CZ-CG2 3.44Å; F158-I165 VanDerWaalsContact CZ-CG2 3.44Å; F158-V167 HydrophobicContact CD2-CG2 3.4Å; F158-V167 VanDerWaalsContact CD2-CG2 3.4Å; F158-V167 HydrophobicContact CE2-CG2 3.71Å; F158-V167 HydrophobicContact CG-CG2 4.47Å; F158-V202 HydrophobicContact CE2-CG2 4.34Å; F158-F212 HydrophobicContact CE2-CE2 4.45Å; F158-V214 HydrophobicContact CD2-CB 4.42Å; F158-V214 HydrophobicContact CD2-CG1 4Å; F158-V214 HydrophobicContact CD2-CG2 3.88Å; F158-V214 HydrophobicContact CE2-CG2 3.95Å; F158-V214 HydrophobicContact CG-CG1 4.4Å; F158-F216 HydrophobicContact CB-CE1 4.27Å; F158-F216 HydrophobicContact CB-CZ 4.42Å; F158-F216 AromaticContact CD1-CE1 3.77Å; F158-F216 HydrophobicContact CD1-CE1 3.77Å; F158-F216 AromaticContact CD1-CZ 3.61Å; F158-F216 HydrophobicContact CD1-CZ 3.61Å; F158-F216 HydrophobicContact CD2-CZ 4.04Å; F158-F216 HydrophobicContact CE1-CE1 4.24Å; F158-F216 AromaticContact CE1-CZ 3.71Å; F158-F216 HydrophobicContact CE1-CZ 3.71Å; F158-F216 HydrophobicContact CE2-CZ 4.2Å; F158-F216 HydrophobicContact CG-CE1 4.01Å; F158-F216 AromaticContact CG-CZ 3.77Å; F158-F216 HydrophobicContact CG-CZ 3.77Å; F158-F216 HydrophobicContact CZ-CZ 4.03Å; F158-L224 HydrophobicContact CE1-CD1 3.8Å
159V94.4Very high89.5Confident0 Ų033.1 Ų33.10%020%0.2CC..EExtended strand (participates in β ladder)trans-121.4134.8-179.9-174.50000109.2Y142 K147 F148 V149 R157 T161 V166Y142-V159 HydrophobicContact CD2-CG1 4.29Å; Y142-V159 HydrophobicContact CE2-CB 4.34Å; Y142-V159 HydrophobicContact CE2-CG1 3.86Å; Y142-V159 HydrophobicContact CE2-CG2 4.22Å; K147-V159 HydrophobicContact CB-CG1 4.29Å; K147-V159 HydrophobicContact CD-CG1 4.23Å; K147-V159 HydrophobicContact CG-CG1 4.46Å; F148-V159 CarbonylContact O-C 3.53Å; F148-V159 VanDerWaalsContact O-CA 3.23Å; F148-V159 WeakPolarHBondContact O-CA 3.19Å; F148-V159 WeakPolarHBondContact O-CG1 3.49Å; V149-V159 HydrophobicContact CG1-CG2 4.26Å; V149-V159 HydrophobicContact CG2-CG1 4.2Å; V149-V159 HydrophobicContact CG2-CG2 4.21Å; R157-V159 HydrophobicContact CG-CG2 3.86Å; V159-T161 HydrophobicContact CG1-CG2 4.35Å; V159-V166 HydrophobicContact CB-CB 4.2Å; V159-V166 PolarHBondContact N-O 2.92Å; V159-V166 PolarHBondContact O-N 2.83Å
160V94.5Very high89.1Confident0 Ų031.8 Ų31.80%020%0.2CC..EExtended strand (participates in β ladder)trans-121.3115.6173.3-176.30000107.8K147 F148 F158 W164 L224 K227 L228K147-V160 WeakPolarHBondContact CA-O 3.44Å; F148-V160 HydrophobicContact CB-CB 4.2Å; F148-V160 HydrophobicContact CD1-CB 4.37Å; F148-V160 HydrophobicContact CD1-CG2 4.15Å; F148-V160 PolarHBondContact N-O 3.16Å; F148-V160 PolarHBondContact O-N 3.48Å; F158-V160 HydrophobicContact CD1-CG2 3.88Å; F158-V160 HydrophobicContact CE1-CG2 3.23Å; F158-V160 HydrophobicContact CZ-CG2 3.97Å; V160-W164 WeakPolarHBondContact CA-O 3.4Å; V160-L224 HydrophobicContact CG2-CD1 3.73Å; V160-K227 HydrophobicContact CB-CG 4.32Å; V160-K227 HydrophobicContact CG1-CG 4Å; V160-L228 HydrophobicContact CG1-CD2 3.93Å
161T94.1Very high88.5Confident2 Ų234 Ų341%0.01222%0.215CC..  trans-93.2-162174680000109.6E141 Y142 K147 V159 W164 Q178 K227E141-T161 HydrophobicContact CB-CG2 4.41Å; E141-T161 VanDerWaalsContact OE2-CB 3.26Å; E141-T161 WeakPolarHBondContact OE2-CB 3.14Å; E141-T161 PolarHBondContact OE2-OG1 2.87Å; Y142-T161 HydrophobicContact CD2-CG2 4.44Å; K147-T161 HydrophobicContact CB-CG2 4.5Å; V159-T161 HydrophobicContact CG1-CG2 4.35Å; T161-W164 PolarHBondContact N-O 2.91Å; T161-W164 WeakPolarHBondContact OG1-CB 3.38Å; T161-W164 PolarHBondContact OG1-N 3.44Å; T161-W164 PolarHBondContact OG1-O 2.87Å; T161-Q178 PolarHBondContact O-NE2 3.44Å; T161-K227 WeakPolarHBondContact O-CE 3.31Å
162N92.2Very high88.4Confident34 Ų3432.5 Ų32.518%0.18221%0.21CC..SBendtrans-70.6-38.8178.6-81-42.2000112.4E141 Q144 D146 K227 R229E141-N162 PolarHBondContact OE2-N 2.77Å; Q144-N162 PolarHBondContact OE1-ND2 3.47Å; D146-N162 PolarHBondContact OD2-ND2 3.42Å; D146-N162 VanDerWaalsContact OD2-ND2 3.07Å; D146-N162 PolarHBondContact OD2-OD1 3.18Å; N162-K227 PolarHBondContact OD1-NZ 3.47Å; N162-R229 WeakPolarHBondContact O-CD 3.36Å; N162-R229 PolarHBondContact O-NE 2.81Å; N162-R229 PolarHBondContact O-NH1 2.81Å
163S93.5Very high88.7Confident19 Ų1932 Ų3213%0.13321%0.208CC..SBendtrans-121.3-9.4-177-46.70000113.6E141 K177 Q178E141-S163 WeakPolarHBondContact OE1-CB 3.39Å; E141-S163 PolarHBondContact OE1-N 2.81Å; E141-S163 PolarHBondContact OE1-OG 3.09Å; E141-S163 PolarHBondContact OE2-N 3.31Å; S163-K177 CarbonylContact O-C 3.55Å; S163-K177 WeakPolarHBondContact O-CA 3.15Å; S163-K177 WeakPolarHBondContact O-CG 3.21Å; S163-Q178 PolarHBondContact O-N 2.9Å
164W94.7Very high89.4Confident7 Ų731.5 Ų31.53%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-124.2148.5-172.5-62.686.5000113.3Y127 V134 H137 I138 V160 T161 V166 L175 K177Y127-W164 HydrophobicContact CD1-CH2 4.22Å; Y127-W164 AromaticContact CD2-CH2 3.68Å; Y127-W164 HydrophobicContact CD2-CH2 3.68Å; Y127-W164 AromaticContact CD2-CZ3 3.88Å; Y127-W164 HydrophobicContact CD2-CZ3 3.88Å; Y127-W164 HydrophobicContact CE1-CH2 4.44Å; Y127-W164 HydrophobicContact CE1-CZ3 4.43Å; Y127-W164 AromaticContact CE2-CH2 3.93Å; Y127-W164 HydrophobicContact CE2-CH2 3.93Å; Y127-W164 AromaticContact CE2-CZ3 3.63Å; Y127-W164 HydrophobicContact CE2-CZ3 3.63Å; Y127-W164 AromaticContact CG-CH2 3.83Å; Y127-W164 HydrophobicContact CG-CH2 3.83Å; Y127-W164 HydrophobicContact CG-CZ3 4.37Å; Y127-W164 AromaticContact CZ-CZ3 3.94Å; V134-W164 HydrophobicContact CG1-CH2 3.73Å; V134-W164 HydrophobicContact CG1-CZ2 3.61Å; H137-W164 AromaticContact ND1-NE1 3.9Å; I138-W164 HydrophobicContact CD1-CD2 3.94Å; I138-W164 HydrophobicContact CD1-CE3 4.13Å; I138-W164 HydrophobicContact CD1-CH2 4.14Å; I138-W164 HydrophobicContact CD1-CZ2 3.96Å; I138-W164 HydrophobicContact CD1-CZ3 4.22Å; I138-W164 HydrophobicContact CG1-CD2 3.83Å; I138-W164 HydrophobicContact CG1-CG 4.01Å; I138-W164 HydrophobicContact CG1-CZ2 4.06Å; V160-W164 WeakPolarHBondContact CA-O 3.4Å; T161-W164 PolarHBondContact N-O 2.91Å; T161-W164 WeakPolarHBondContact OG1-CB 3.38Å; T161-W164 PolarHBondContact OG1-N 3.44Å; T161-W164 PolarHBondContact OG1-O 2.87Å; W164-V166 HydrophobicContact CB-CG2 4.25Å; W164-L175 HydrophobicContact CE3-CB 4.16Å; W164-L175 HydrophobicContact CZ3-CB 4.28Å; W164-K177 HydrophobicContact CD2-CG 4.45Å; W164-K177 HydrophobicContact CE3-CB 4.18Å; W164-K177 HydrophobicContact CH2-CB 4.23Å; W164-K177 HydrophobicContact CH2-CG 4.41Å; W164-K177 HydrophobicContact CZ2-CD 4.36Å; W164-K177 HydrophobicContact CZ2-CG 4.26Å; W164-K177 HydrophobicContact CZ3-CB 4.03Å
165I94.5Very high90.4Very high1 Ų128 Ų281%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-111.6120.5166.1-55.3179.6000106.4F158 V176 Q178 A181 L183 L228F158-I165 HydrophobicContact CE1-CG2 4.32Å; F158-I165 HydrophobicContact CE2-CG2 3.61Å; F158-I165 HydrophobicContact CZ-CG2 3.44Å; F158-I165 VanDerWaalsContact CZ-CG2 3.44Å; I165-V176 PolarHBondContact N-O 3.3Å; I165-V176 PolarHBondContact O-N 3.27Å; I165-Q178 HydrophobicContact CD1-CG 4.17Å; I165-Q178 HydrophobicContact CG1-CG 3.67Å; I165-A181 HydrophobicContact CD1-CB 3.76Å; I165-L183 HydrophobicContact CD1-CD1 3.98Å; I165-L183 HydrophobicContact CD1-CD2 4.46Å; I165-L183 HydrophobicContact CD1-CG 4.49Å; I165-L228 HydrophobicContact CD1-CD2 4.08Å
166V94.6Very high91.3Very high0 Ų025.6 Ų25.60%013%0.133CC..EExtended strand (participates in β ladder)trans-119.7127.1-174.4-177.70000108.8F48 V159 W164 V168 V173 L175F48-V166 HydrophobicContact CE1-CG1 3.83Å; F48-V166 HydrophobicContact CE2-CG1 4.48Å; F48-V166 HydrophobicContact CZ-CG1 3.49Å; F48-V166 VanDerWaalsContact CZ-CG1 3.49Å; V159-V166 HydrophobicContact CB-CB 4.2Å; V159-V166 PolarHBondContact N-O 2.92Å; V159-V166 PolarHBondContact O-N 2.83Å; W164-V166 HydrophobicContact CB-CG2 4.25Å; V166-V168 HydrophobicContact CG1-CG2 4.22Å; V166-V173 HydrophobicContact CG1-CG1 4.22Å; V166-L175 HydrophobicContact CB-CD2 3.98Å; V166-L175 HydrophobicContact CG1-CD2 3.62Å; V166-L175 HydrophobicContact CG2-CD2 3.5Å
167V93.9Very high91.6Very high6 Ų623.7 Ų23.74%0.03613%0.128CC..EExtended strand (participates in β ladder)trans-121.2121.9172-176.60000109.5R157 F158 V173 R174 F212R157-V167 WeakPolarHBondContact O-CA 3.39Å; F158-V167 HydrophobicContact CD2-CG2 3.4Å; F158-V167 VanDerWaalsContact CD2-CG2 3.4Å; F158-V167 HydrophobicContact CE2-CG2 3.71Å; F158-V167 HydrophobicContact CG-CG2 4.47Å; V167-V173 WeakPolarHBondContact O-CA 3.39Å; V167-R174 HydrophobicContact CB-CB 4.46Å; V167-R174 PolarHBondContact N-O 3.35Å; V167-R174 PolarHBondContact O-N 2.99Å; V167-F212 HydrophobicContact CB-CE2 4.27Å; V167-F212 HydrophobicContact CB-CZ 4.28Å; V167-F212 HydrophobicContact CG2-CD2 4.35Å; V167-F212 HydrophobicContact CG2-CE2 3.39Å; V167-F212 HydrophobicContact CG2-CZ 3.51Å
168V91.9Very high91.7Very high12 Ų1220.4 Ų20.47%0.07312%0.116CC..EExtended strand (participates in β ladder)trans-105.3111.7174.4-174.70000107.6F48 R156 R157 V166 V173F48-V168 HydrophobicContact CE2-CG2 4.32Å; F48-V168 HydrophobicContact CZ-CG2 4.01Å; R156-V168 CarbonylContact C-O 3.56Å; R156-V168 VanDerWaalsContact CA-O 3.26Å; R156-V168 WeakPolarHBondContact CA-O 3.44Å; R157-V168 HydrophobicContact CB-CB 4.25Å; R157-V168 PolarHBondContact N-O 3.41Å; R157-V168 PolarHBondContact O-N 2.9Å; V166-V168 HydrophobicContact CG1-CG2 4.22Å; V168-V173 HydrophobicContact CG1-CG2 4.42Å; V168-V173 HydrophobicContact CG2-CG2 4.37Å
169D87.3Confident91.6Very high38 Ų3826 Ų2620%0.20314%0.142CC..EExtended strand (participates in β ladder)trans-119.495.1176.3-175.217000109.9R156 S171 I172R156-D169 HydrophobicContact CG-CB 3.94Å; R156-D169 WeakPolarHBondContact CG-OD1 3.06Å; R156-D169 IonicContact CZ-OD1 2.89Å; R156-D169 IonicContact CZ-OD2 3.8Å; R156-D169 IonicContact NE-OD1 3.77Å; R156-D169 PolarHBondContact NE-OD1 3Å; R156-D169 IonicContact NE-OD2 2.91Å; R156-D169 PolarHBondContact NE-OD2 2.88Å; R156-D169 IonicContact NH2-OD1 3.82Å; R156-D169 IonicContact NH2-OD2 3.8Å; R156-D169 PolarHBondContact NH2-OD2 3.23Å; D169-S171 PolarHBondContact O-N 3.5Å; D169-S171 VanDerWaalsContact O-N 3.09Å; D169-I172 PolarHBondContact N-O 3.43Å; D169-I172 PolarHBondContact O-N 3.09Å
170G82.5Confident91.5Very high40 Ų4027.5 Ų27.541%0.41215%0.15SC..THydrogen-bonded Turntrans58.6-117.2-173.700000110.1R55R55-G170 PolarHBondContact NH1-O 2.84Å
171S79.2Confident91.4Very high48 Ų4827.5 Ų27.534%0.33615%0.15SC..THydrogen-bonded Turntrans-85.6-11.1177.456.70000114.3T56 D169T56-S171 PolarHBondContact OG1-O 3.31Å; D169-S171 PolarHBondContact O-N 3.5Å; D169-S171 VanDerWaalsContact O-N 3.09Å
172I86.3Confident91.2Very high83 Ų8329.3 Ų29.343%0.42616%0.163SC..EExtended strand (participates in β ladder)trans-93124.1-175.1-55.8176.5000108.7D169 R174D169-I172 PolarHBondContact N-O 3.43Å; D169-I172 PolarHBondContact O-N 3.09Å; I172-R174 HydrophobicContact CG2-CG 4.14Å
173V91.9Very high91.2Very high9 Ų927.9 Ų27.96%0.05516%0.155CC..EExtended strand (participates in β ladder)trans-109.8126.7170.8-176.50000108.7F48 H52 V120 V166 V167 V168 L175F48-V173 HydrophobicContact CE1-CG1 4.14Å; F48-V173 HydrophobicContact CZ-CG1 4.17Å; H52-V173 HydrophobicContact CB-CG2 3.79Å; H52-V173 WeakPolarHBondContact ND1-CG2 3.42Å; V120-V173 HydrophobicContact CG2-CB 3.94Å; V166-V173 HydrophobicContact CG1-CG1 4.22Å; V167-V173 WeakPolarHBondContact O-CA 3.39Å; V168-V173 HydrophobicContact CG1-CG2 4.42Å; V168-V173 HydrophobicContact CG2-CG2 4.37Å; V173-L175 HydrophobicContact CG1-CD2 4.05Å; V173-L175 HydrophobicContact CG1-CG 4.09Å
174R92Very high90.9Very high62 Ų6227.9 Ų27.923%0.23416%0.155CC..EExtended strand (participates in β ladder)trans-115.6122.6176.4-68.3173-177.2155.21.7108.2V167 I172 V209 F212V167-R174 HydrophobicContact CB-CB 4.46Å; V167-R174 PolarHBondContact N-O 3.35Å; V167-R174 PolarHBondContact O-N 2.99Å; I172-R174 HydrophobicContact CG2-CG 4.14Å; R174-V209 HydrophobicContact CB-CG1 3.83Å; R174-V209 HydrophobicContact CB-CG2 4.3Å; R174-V209 HydrophobicContact CG-CG1 3.62Å; R174-F212 HydrophobicContact CB-CE1 4.42Å
175L94Very high90.3Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-115.2131.4179.2-53.5159.4000107.9F48 I49 V120 N123 L124 I138 W164 V166 V173 V209F48-L175 HydrophobicContact CE1-CD2 4.21Å; I49-L175 HydrophobicContact CD1-CD1 3.66Å; V120-L175 HydrophobicContact CG1-CD1 4.11Å; N123-L175 PolarHBondContact ND2-O 3.4Å; N123-L175 WeakPolarHBondContact OD1-CB 3.41Å; N123-L175 PolarHBondContact OD1-O 2.76Å; N123-L175 VanDerWaalsContact OD1-O 3.11Å; L124-L175 HydrophobicContact CD2-CD1 3.66Å; L124-L175 HydrophobicContact CG-CD1 4.23Å; I138-L175 HydrophobicContact CD1-CD1 4.15Å; W164-L175 HydrophobicContact CE3-CB 4.16Å; W164-L175 HydrophobicContact CZ3-CB 4.28Å; V166-L175 HydrophobicContact CB-CD2 3.98Å; V166-L175 HydrophobicContact CG1-CD2 3.62Å; V166-L175 HydrophobicContact CG2-CD2 3.5Å; V173-L175 HydrophobicContact CG1-CD2 4.05Å; V173-L175 HydrophobicContact CG1-CG 4.09Å; L175-V209 WeakPolarHBondContact O-CG2 3.44Å
176V94.4Very high89.7Confident2 Ų230.1 Ų30.11%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-135.8125.1174.5-174.10000108.1Y127 I165 A181 V209Y127-V176 WeakPolarHBondContact OH-CA 3.45Å; I165-V176 PolarHBondContact N-O 3.3Å; I165-V176 PolarHBondContact O-N 3.27Å; V176-A181 HydrophobicContact CG1-CB 3.84Å; V176-V209 HydrophobicContact CG2-CB 4.04Å; V176-V209 HydrophobicContact CG2-CG2 3.66Å
177K93.8Very high88.7Confident63 Ų6332.1 Ų32.127%0.27418%0.183SC..EExtended strand (participates in β ladder)trans-64.7138.3172.3-153.3175.9-179.3-168.50110Y127 S163 W164 E179 D180 A181Y127-K177 HydrophobicContact CD1-CB 4.3Å; Y127-K177 HydrophobicContact CD1-CD 4.39Å; Y127-K177 HydrophobicContact CE1-CB 3.67Å; Y127-K177 PolarHBondContact OH-N 3.45Å; S163-K177 CarbonylContact O-C 3.55Å; S163-K177 WeakPolarHBondContact O-CA 3.15Å; S163-K177 WeakPolarHBondContact O-CG 3.21Å; W164-K177 HydrophobicContact CD2-CG 4.45Å; W164-K177 HydrophobicContact CE3-CB 4.18Å; W164-K177 HydrophobicContact CH2-CB 4.23Å; W164-K177 HydrophobicContact CH2-CG 4.41Å; W164-K177 HydrophobicContact CZ2-CD 4.36Å; W164-K177 HydrophobicContact CZ2-CG 4.26Å; W164-K177 HydrophobicContact CZ3-CB 4.03Å; K177-E179 VanDerWaalsContact C-N 3.34Å; K177-E179 HydrophobicContact CB-CG 4.49Å; K177-E179 HydrophobicContact CD-CG 3.93Å; K177-E179 VanDerWaalsContact CD-OE1 3.22Å; K177-E179 WeakPolarHBondContact CD-OE1 3.25Å; K177-E179 WeakPolarHBondContact CE-OE1 3.36Å; K177-E179 HydrophobicContact CG-CG 4.04Å; K177-E179 IonicContact NZ-OE1 2.74Å; K177-E179 PolarHBondContact NZ-OE1 3.38Å; K177-E179 PolarHBondContact O-N 2.87Å; K177-D180 HydrophobicContact CB-CB 4.47Å; K177-D180 CarbonylContact O-C 3.5Å; K177-D180 PolarHBondContact O-N 3.23Å; K177-D180 VanDerWaalsContact O-N 3.13Å; K177-A181 PolarHBondContact O-N 3.24Å
178Q93.4Very high87.6Confident2 Ų234.3 Ų34.31%0.00920%0.199CC..SBendtrans-61.7-40.1-174.4-78.9-172.332.200112.4T161 S163 I165 D180 A181 I230T161-Q178 PolarHBondContact O-NE2 3.44Å; S163-Q178 PolarHBondContact O-N 2.9Å; I165-Q178 HydrophobicContact CD1-CG 4.17Å; I165-Q178 HydrophobicContact CG1-CG 3.67Å; Q178-D180 PolarHBondContact O-N 2.85Å; Q178-A181 WeakPolarHBondContact O-CB 3.46Å; Q178-A181 PolarHBondContact O-N 3.35Å; Q178-A181 VanDerWaalsContact O-N 3.1Å; Q178-I230 WeakPolarHBondContact O-CD1 3.17Å; Q178-I230 WeakPolarHBondContact O-CG2 3.28Å
179E91.7Very high86.3Confident118 Ų11837.1 Ų37.155%0.55122%0.215SC*.THydrogen-bonded Turntrans-61.9-31.2177.563.4-168.7-169.600113K177K177-E179 VanDerWaalsContact C-N 3.34Å; K177-E179 HydrophobicContact CB-CG 4.49Å; K177-E179 HydrophobicContact CD-CG 3.93Å; K177-E179 VanDerWaalsContact CD-OE1 3.22Å; K177-E179 WeakPolarHBondContact CD-OE1 3.25Å; K177-E179 WeakPolarHBondContact CE-OE1 3.36Å; K177-E179 HydrophobicContact CG-CG 4.04Å; K177-E179 IonicContact NZ-OE1 2.74Å; K177-E179 PolarHBondContact NZ-OE1 3.38Å; K177-E179 PolarHBondContact O-N 2.87Å
180D91.3Very high85.1Confident31 Ų3141.1 Ų41.117%0.16623%0.233CC..THydrogen-bonded Turntrans-93.1-0.8178.5-60.3-45.9000113.1Y127 K177 Q178 R205 I206Y127-D180 WeakPolarHBondContact CE1-OD2 3.25Å; K177-D180 HydrophobicContact CB-CB 4.47Å; K177-D180 CarbonylContact O-C 3.5Å; K177-D180 PolarHBondContact O-N 3.23Å; K177-D180 VanDerWaalsContact O-N 3.13Å; Q178-D180 PolarHBondContact O-N 2.85Å; D180-R205 WeakPolarHBondContact O-CB 3.48Å; D180-R205 VanDerWaalsContact O-CG 3.31Å; D180-R205 WeakPolarHBondContact O-CG 3.43Å; D180-R205 PolarHBondContact O-N 2.82Å; D180-I206 HydrophobicContact CB-CD1 4.08Å; D180-I206 HydrophobicContact CB-CG1 4.21Å; D180-I206 WeakPolarHBondContact OD2-CD1 3.41Å
181A91.7Very high83.7Confident1 Ų147.4 Ų47.41%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-87.3148.3177.900000110.7I165 V176 K177 Q178 K203 I230I165-A181 HydrophobicContact CD1-CB 3.76Å; V176-A181 HydrophobicContact CG1-CB 3.84Å; K177-A181 PolarHBondContact O-N 3.24Å; Q178-A181 WeakPolarHBondContact O-CB 3.46Å; Q178-A181 PolarHBondContact O-N 3.35Å; Q178-A181 VanDerWaalsContact O-N 3.1Å; A181-K203 CarbonylContact C-O 3.52Å; A181-I230 HydrophobicContact CB-CD1 3.7Å; A181-I230 VanDerWaalsContact O-CD1 3.25Å; A181-I230 WeakPolarHBondContact O-CD1 3.47Å
182S91.1Very high82.4Confident40 Ų4048.1 Ų48.128%0.2826%0.259SS..EExtended strand (participates in β ladder)trans-125112164.653.60000107.2K203S182-K203 PolarHBondContact N-O 3.4Å; S182-K203 PolarHBondContact O-N 3.42Å; S182-K203 WeakPolarHBondContact OG-CB 3.5Å; S182-K203 PolarHBondContact OG-O 3.46Å
183L90.8Very high80.5Confident3 Ų354.4 Ų54.42%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-94.8130.9172.8-63.3106.8000108.8I165 I200 R201 V202 L228 I230 I232 A233I165-L183 HydrophobicContact CD1-CD1 3.98Å; I165-L183 HydrophobicContact CD1-CD2 4.46Å; I165-L183 HydrophobicContact CD1-CG 4.49Å; L183-I200 HydrophobicContact CB-CG2 3.88Å; L183-I200 HydrophobicContact CD2-CG2 3.77Å; L183-I200 HydrophobicContact CG-CG2 4.34Å; L183-R201 CarbonylContact C-O 3.54Å; L183-R201 WeakPolarHBondContact CA-O 3.38Å; L183-V202 HydrophobicContact CD2-CG2 3.97Å; L183-V202 HydrophobicContact CG-CG2 4.32Å; L183-L228 HydrophobicContact CD1-CD1 4.21Å; L183-L228 HydrophobicContact CD1-CD2 3.98Å; L183-L228 HydrophobicContact CD2-CD1 4.17Å; L183-I230 HydrophobicContact CD1-CD1 3.25Å; L183-I230 HydrophobicContact CD1-CG1 3.71Å; L183-I232 HydrophobicContact CB-CB 4.48Å; L183-I232 HydrophobicContact CB-CG1 4.32Å; L183-I232 HydrophobicContact CB-CG2 4.16Å; L183-A233 PolarHBondContact O-N 2.82Å
184S87.1Confident78.7Confident19 Ų1961.5 Ų61.513%0.13332%0.321CS..EExtended strand (participates in β ladder)trans-134.3130178.2560000111.4V186 I200 R201 A233 L235S184-V186 PolarHBondContact O-N 2.82Å; S184-I200 CarbonylContact O-C 3.53Å; S184-I200 WeakPolarHBondContact O-CA 3.11Å; S184-R201 PolarHBondContact N-O 2.82Å; S184-R201 PolarHBondContact O-N 2.84Å; S184-R201 PolarHBondContact OG-O 2.81Å; S184-A233 CarbonylContact C-O 3.51Å; S184-A233 WeakPolarHBondContact CA-O 3.38Å; S184-L235 VanDerWaalsContact OG-CD1 3.25Å; S184-L235 WeakPolarHBondContact OG-CD1 3.43Å
185I83.8Confident77.4Confident11 Ų1163.4 Ų63.46%0.05634%0.336CS..EExtended strand (participates in β ladder)trans-72.3122.7174.9-61.5169.4000107.4V198 I232 A233 L235 V238I185-V198 HydrophobicContact CG1-CG1 4.41Å; I185-V198 HydrophobicContact CG2-CG1 4.07Å; I185-I232 HydrophobicContact CD1-CG2 4.08Å; I185-I232 HydrophobicContact CG1-CG2 3.62Å; I185-A233 PolarHBondContact N-O 2.84Å; I185-L235 WeakPolarHBondContact O-CB 3.23Å; I185-L235 PolarHBondContact O-N 3.48Å; I185-V238 HydrophobicContact CB-CG2 4.31Å; I185-V238 HydrophobicContact CG2-CG2 4.07Å; I185-V238 WeakPolarHBondContact O-CG2 3.44Å
186V81Confident76.3Confident45 Ų4567 Ų6727%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-90.6-44.9178.5-179.50000110.7S184 C199 R201 L235S184-V186 PolarHBondContact O-N 2.82Å; V186-C199 HydrophobicContact CB-CB 4.32Å; V186-C199 PolarHBondContact N-O 2.78Å; V186-R201 HydrophobicContact CG2-CB 3.44Å; V186-R201 VanDerWaalsContact CG2-CB 3.44Å; V186-L235 HydrophobicContact CG2-CD1 4.32Å
187S73.1Confident75.6Confident42 Ų4268.5 Ų68.529%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-159.3152.8179.560.30000110.7C199S187-C199 PolarHBondContact O-N 2.69Å
188S70.4Confident75.1Confident52 Ų5265.8 Ų65.836%0.36435%0.349SS..EExtended strand (participates in β ladder)trans-118.7119.8164.250.90000107.9L197S188-L197 CarbonylContact C-O 3.25Å; S188-L197 WeakPolarHBondContact CA-O 3.49Å
189V66Low74.8Confident70 Ų7066.1 Ų66.142%0.42435%0.352SS..EExtended strand (participates in β ladder)trans-106.1114.7176-178.60000107.1R191 L197V189-R191 HydrophobicContact CG1-CG 4.32Å; V189-R191 PolarHBondContact O-N 3.01Å; V189-L197 PolarHBondContact N-O 2.87Å; V189-L197 PolarHBondContact O-N 3.42Å
190E60.7Low74.6Confident122 Ų12260.5 Ų60.557%0.5733%0.326SS*.EExtended strand (participates in β ladder)trans-77120.4170.1-63.6-176.2173.200108.5Q196E190-Q196 HydrophobicContact CG-CG 4.2Å
191R54.1Low74.6Confident173 Ų17363.8 Ų63.865%0.65334%0.336SS*.EExtended strand (participates in β ladder)trans-108.795.1170.1-74.6-171.4174.7-175.2-5.7108.1V189 D195 L197V189-R191 HydrophobicContact CG1-CG 4.32Å; V189-R191 PolarHBondContact O-N 3.01Å; R191-D195 WeakPolarHBondContact CA-O 3.32Å; R191-D195 HydrophobicContact CB-CB 4.48Å; R191-D195 PolarHBondContact N-O 3.22Å; R191-D195 WeakPolarHBondContact O-CB 3.27Å; R191-L197 HydrophobicContact CG-CD1 4.41Å
192G51Low74.6Confident62 Ų6263.8 Ų63.864%0.63934%0.335SS*.THydrogen-bonded Turntrans72.9-169.5179.900000113.7N194G192-N194 VanDerWaalsContact C-N 3.32Å; G192-N194 PolarHBondContact O-N 2.84Å
193F48Very low74.6Confident216 Ų21667.2 Ų67.295%0.94735%0.346SS*.THydrogen-bonded Turntrans-69.6-18-167.4-80.2-84.7000115.5
194N53.7Low74.7Confident158 Ų15867.4 Ų67.485%0.84535%0.347SS*.THydrogen-bonded Turntrans-138-10.8-176-84.1-22.5000116G192 Q196G192-N194 VanDerWaalsContact C-N 3.32Å; G192-N194 PolarHBondContact O-N 2.84Å; N194-Q196 PolarHBondContact O-N 3.3Å
195D63.8Low74.8Confident102 Ų10275.3 Ų75.355%0.54537%0.374SS..EExtended strand (participates in β ladder)trans-102.785.4-175.5-74.1-18.7000111.6R191R191-D195 WeakPolarHBondContact CA-O 3.32Å; R191-D195 HydrophobicContact CB-CB 4.48Å; R191-D195 PolarHBondContact N-O 3.22Å; R191-D195 WeakPolarHBondContact O-CB 3.27Å
196Q70.4Confident75Confident74 Ų7479.1 Ų79.135%0.34639%0.393SS..EExtended strand (participates in β ladder)trans-80.6126.7169.3-166.6178.430.500109.8E190 N194 V198 N217 G218E190-Q196 HydrophobicContact CG-CG 4.2Å; N194-Q196 PolarHBondContact O-N 3.3Å; Q196-V198 HydrophobicContact CG-CG2 4.33Å; Q196-N217 CarbonylContact O-C 3.29Å; Q196-G218 WeakPolarHBondContact O-CA 3.47Å; Q196-G218 PolarHBondContact O-N 3.02Å
197L79.9Confident75.2Confident35 Ų3579.3 Ų79.318%0.18340%0.404CS..EExtended strand (participates in β ladder)trans-102.2122.2170.1-75.6168.7000109.8S188 V189 R191 F216 N217S188-L197 CarbonylContact C-O 3.25Å; S188-L197 WeakPolarHBondContact CA-O 3.49Å; V189-L197 PolarHBondContact N-O 2.87Å; V189-L197 PolarHBondContact O-N 3.42Å; R191-L197 HydrophobicContact CG-CD1 4.41Å; L197-F216 CarbonylContact C-O 3.6Å; L197-F216 VanDerWaalsContact CA-O 3.31Å; L197-F216 WeakPolarHBondContact CA-O 3.46Å; L197-N217 WeakPolarHBondContact CD2-OD1 3.41Å
198V83.5Confident75.8Confident5 Ų577.7 Ų77.73%0.0339%0.394CS..EExtended strand (participates in β ladder)trans-106.7123.7179.4-175.30000109.5I185 Q196 I200 R215 F216 L221I185-V198 HydrophobicContact CG1-CG1 4.41Å; I185-V198 HydrophobicContact CG2-CG1 4.07Å; Q196-V198 HydrophobicContact CG-CG2 4.33Å; V198-I200 HydrophobicContact CG1-CG1 4.02Å; V198-R215 WeakPolarHBondContact O-CA 3.36Å; V198-F216 PolarHBondContact N-O 3.36Å; V198-F216 PolarHBondContact O-N 2.92Å; V198-L221 HydrophobicContact CG2-CD2 4.46Å
199C86.8Confident76.7Confident10 Ų1076 Ų767%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-94.8116.5174-62.30000109.4V186 S187 V213 V214V186-C199 HydrophobicContact CB-CB 4.32Å; V186-C199 PolarHBondContact N-O 2.78Å; S187-C199 PolarHBondContact O-N 2.69Å; C199-V213 HydrophobicContact CB-CG1 3.97Å; C199-V214 CarbonylContact C-O 3.52Å; C199-V214 WeakPolarHBondContact CA-O 3.31Å
200I89.4Confident77.8Confident0 Ų080.1 Ų80.10%040%0.396CS..EExtended strand (participates in β ladder)trans-110.9124.1177.3-53.8178.5000108.6L183 S184 V198 V213 V214 F216 L221 L224 I232L183-I200 HydrophobicContact CB-CG2 3.88Å; L183-I200 HydrophobicContact CD2-CG2 3.77Å; L183-I200 HydrophobicContact CG-CG2 4.34Å; S184-I200 CarbonylContact O-C 3.53Å; S184-I200 WeakPolarHBondContact O-CA 3.11Å; V198-I200 HydrophobicContact CG1-CG1 4.02Å; I200-V213 WeakPolarHBondContact O-CA 3.2Å; I200-V214 PolarHBondContact N-O 2.83Å; I200-V214 PolarHBondContact O-N 2.86Å; I200-F216 HydrophobicContact CB-CD2 4.42Å; I200-F216 HydrophobicContact CB-CE2 4.15Å; I200-F216 HydrophobicContact CD1-CD2 3.69Å; I200-F216 HydrophobicContact CD1-CE2 3.76Å; I200-F216 HydrophobicContact CG1-CD2 4Å; I200-F216 HydrophobicContact CG1-CE2 4.15Å; I200-L221 HydrophobicContact CD1-CD1 3.84Å; I200-L224 HydrophobicContact CD1-CD2 3.76Å; I200-I232 HydrophobicContact CD1-CD1 4.23Å; I200-I232 HydrophobicContact CG2-CG2 4.45Å
201R90.1Very high79.2Confident99 Ų9978.1 Ų78.137%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-88.6124.9170.2176.5180-67.4164.1-1.1109.2L183 S184 V186 F212 V213L183-R201 CarbonylContact C-O 3.54Å; L183-R201 WeakPolarHBondContact CA-O 3.38Å; S184-R201 PolarHBondContact N-O 2.82Å; S184-R201 PolarHBondContact O-N 2.84Å; S184-R201 PolarHBondContact OG-O 2.81Å; V186-R201 HydrophobicContact CG2-CB 3.44Å; V186-R201 VanDerWaalsContact CG2-CB 3.44Å; R201-F212 WeakPolarHBondContact CA-O 3.43Å; R201-V213 HydrophobicContact CB-CG2 4.14Å; R201-V213 HydrophobicContact CG-CG2 4.4Å
202V91.8Very high80.9Confident1 Ų170.7 Ų70.71%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-103.4123.7172.7-174.40000107.9F158 L183 P211 F212F158-V202 HydrophobicContact CE2-CG2 4.34Å; L183-V202 HydrophobicContact CD2-CG2 3.97Å; L183-V202 HydrophobicContact CG-CG2 4.32Å; V202-P211 WeakPolarHBondContact O-CA 3.22Å; V202-F212 HydrophobicContact CB-CD2 4.24Å; V202-F212 HydrophobicContact CB-CE1 4.19Å; V202-F212 HydrophobicContact CB-CE2 3.64Å; V202-F212 HydrophobicContact CB-CZ 3.63Å; V202-F212 HydrophobicContact CG1-CE1 4.27Å; V202-F212 HydrophobicContact CG1-CE2 4.28Å; V202-F212 HydrophobicContact CG1-CZ 3.78Å; V202-F212 HydrophobicContact CG2-CD2 4.48Å; V202-F212 HydrophobicContact CG2-CE2 3.76Å; V202-F212 HydrophobicContact CG2-CZ 4.11Å; V202-F212 PolarHBondContact N-O 2.83Å; V202-F212 PolarHBondContact O-N 3.37Å; V202-F212 VanDerWaalsContact O-N 3.09Å
203K91.3Very high82.7Confident113 Ų11370.8 Ų70.849%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-125.3132.4175.7172.2177.8-176.1-173.30109.5A181 S182 P211A181-K203 CarbonylContact C-O 3.52Å; S182-K203 PolarHBondContact N-O 3.4Å; S182-K203 PolarHBondContact O-N 3.42Å; S182-K203 WeakPolarHBondContact OG-CB 3.5Å; S182-K203 PolarHBondContact OG-O 3.46Å; K203-P211 HydrophobicContact CB-CB 4.27Å; K203-P211 HydrophobicContact CB-CG 4.39Å; K203-P211 HydrophobicContact CD-CG 4.45Å; K203-P211 HydrophobicContact CG-CG 4.13Å
204S92.4Very high84.7Confident6 Ų660.8 Ų60.84%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-80.2133.3171.1176.50000110.1G207 A208S204-G207 PolarHBondContact O-N 2.94Å; S204-G207 PolarHBondContact OG-N 3.13Å; S204-A208 PolarHBondContact OG-N 2.92Å; S204-A208 VanDerWaalsContact OG-N 3.11Å
205R88.8Confident86.3Confident185 Ų18560.8 Ų60.870%0.69830%0.298SS*.SBendtrans-69.5-39.8176.7-70.1177.4-176.9-1331.2112.1D180 G207D180-R205 WeakPolarHBondContact O-CB 3.48Å; D180-R205 VanDerWaalsContact O-CG 3.31Å; D180-R205 WeakPolarHBondContact O-CG 3.43Å; D180-R205 PolarHBondContact O-N 2.82Å; R205-G207 PolarHBondContact O-N 2.81Å
206I88Confident87.2Confident91 Ų9156 Ų5647%0.46727%0.273SS..SBendtrans-77.9-11.3179.3-47.4176.3000111Y127 D180 A208Y127-I206 HydrophobicContact CD1-CD1 4.46Å; Y127-I206 HydrophobicContact CE1-CD1 4.19Å; D180-I206 HydrophobicContact CB-CD1 4.08Å; D180-I206 HydrophobicContact CB-CG1 4.21Å; D180-I206 WeakPolarHBondContact OD2-CD1 3.41Å; I206-A208 VanDerWaalsContact C-N 3.34Å
207G86.5Confident87.8Confident49 Ų4955.2 Ų55.251%0.50527%0.271SS..  trans76.423-174.900000113.1S204 R205 V209S204-G207 PolarHBondContact O-N 2.94Å; S204-G207 PolarHBondContact OG-N 3.13Å; R205-G207 PolarHBondContact O-N 2.81Å; G207-V209 PolarHBondContact O-N 2.91Å
208A85Confident87.6Confident8 Ų854.5 Ų54.57%0.06627%0.272CS..SBendtrans-63-26-179.300000113.4N123 M126 Y127 S204 I206N123-A208 PolarHBondContact ND2-O 3.3Å; M126-A208 HydrophobicContact CB-CB 4.33Å; M126-A208 VanDerWaalsContact CE-CA 3.49Å; M126-A208 HydrophobicContact CE-CB 4.27Å; M126-A208 WeakPolarHBondContact CE-O 3.21Å; M126-A208 HydrophobicContact SD-CB 4.22Å; Y127-A208 HydrophobicContact CE2-CB 4.04Å; S204-A208 PolarHBondContact OG-N 2.92Å; S204-A208 VanDerWaalsContact OG-N 3.11Å; I206-A208 VanDerWaalsContact C-N 3.34Å
209V89.1Confident87.3Confident17 Ų1761.4 Ų61.410%0.10330%0.299CS..SBendtrans-143.5142178.6-171.60000109N123 R174 L175 V176 G207 F212N123-V209 WeakPolarHBondContact ND2-CG2 3.15Å; R174-V209 HydrophobicContact CB-CG1 3.83Å; R174-V209 HydrophobicContact CB-CG2 4.3Å; R174-V209 HydrophobicContact CG-CG1 3.62Å; L175-V209 WeakPolarHBondContact O-CG2 3.44Å; V176-V209 HydrophobicContact CG2-CB 4.04Å; V176-V209 HydrophobicContact CG2-CG2 3.66Å; G207-V209 PolarHBondContact O-N 2.91Å; V209-F212 HydrophobicContact CG1-CD1 4.13Å; V209-F212 HydrophobicContact CG1-CE1 4.13Å
210E89.6Confident87.2Confident157 Ų15762.4 Ų62.473%0.73430%0.303SS*.  trans-57.4141.2169-67.8-177.3169.500111.6F212E210-F212 WeakPolarHBondContact O-CD1 3.48Å; E210-F212 PolarHBondContact O-N 3.44Å
211P89.4Confident86.9Confident79 Ų7963.3 Ų63.351%0.51331%0.308SS..  trans-57.8132.9178.9-20.830.7000111.7V202 K203V202-P211 WeakPolarHBondContact O-CA 3.22Å; K203-P211 HydrophobicContact CB-CB 4.27Å; K203-P211 HydrophobicContact CB-CG 4.39Å; K203-P211 HydrophobicContact CD-CG 4.45Å; K203-P211 HydrophobicContact CG-CG 4.13Å
212F89.7Confident86.4Confident18 Ų1868.5 Ų68.58%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-130.3152.5178.159.5-94.3000111.2F158 V167 R174 R201 V202 V209 E210 V214F158-F212 HydrophobicContact CE2-CE2 4.45Å; V167-F212 HydrophobicContact CB-CE2 4.27Å; V167-F212 HydrophobicContact CB-CZ 4.28Å; V167-F212 HydrophobicContact CG2-CD2 4.35Å; V167-F212 HydrophobicContact CG2-CE2 3.39Å; V167-F212 HydrophobicContact CG2-CZ 3.51Å; R174-F212 HydrophobicContact CB-CE1 4.42Å; R201-F212 WeakPolarHBondContact CA-O 3.43Å; V202-F212 HydrophobicContact CB-CD2 4.24Å; V202-F212 HydrophobicContact CB-CE1 4.19Å; V202-F212 HydrophobicContact CB-CE2 3.64Å; V202-F212 HydrophobicContact CB-CZ 3.63Å; V202-F212 HydrophobicContact CG1-CE1 4.27Å; V202-F212 HydrophobicContact CG1-CE2 4.28Å; V202-F212 HydrophobicContact CG1-CZ 3.78Å; V202-F212 HydrophobicContact CG2-CD2 4.48Å; V202-F212 HydrophobicContact CG2-CE2 3.76Å; V202-F212 HydrophobicContact CG2-CZ 4.11Å; V202-F212 PolarHBondContact N-O 2.83Å; V202-F212 PolarHBondContact O-N 3.37Å; V202-F212 VanDerWaalsContact O-N 3.09Å; V209-F212 HydrophobicContact CG1-CD1 4.13Å; V209-F212 HydrophobicContact CG1-CE1 4.13Å; E210-F212 WeakPolarHBondContact O-CD1 3.48Å; E210-F212 PolarHBondContact O-N 3.44Å; F212-V214 HydrophobicContact CD2-CG2 3.57Å; F212-V214 HydrophobicContact CE2-CG2 3.58Å
213V89.6Confident86.2Confident63 Ų6372.4 Ų72.438%0.38235%0.348SS..EExtended strand (participates in β ladder)trans-108.5129.9179.2-177.50000109.5C199 I200 R201C199-V213 HydrophobicContact CB-CG1 3.97Å; I200-V213 WeakPolarHBondContact O-CA 3.2Å; R201-V213 HydrophobicContact CB-CG2 4.14Å; R201-V213 HydrophobicContact CG-CG2 4.4Å
214V89.3Confident86.1Confident7 Ų767 Ų674%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-114.9137.1178.4-170.40000109.1L152 F158 C199 I200 F212 F216L152-V214 HydrophobicContact CD1-CG1 3.41Å; L152-V214 VanDerWaalsContact CD1-CG1 3.41Å; L152-V214 HydrophobicContact CD2-CG1 3.33Å; L152-V214 HydrophobicContact CG-CG1 3.99Å; F158-V214 HydrophobicContact CD2-CB 4.42Å; F158-V214 HydrophobicContact CD2-CG1 4Å; F158-V214 HydrophobicContact CD2-CG2 3.88Å; F158-V214 HydrophobicContact CE2-CG2 3.95Å; F158-V214 HydrophobicContact CG-CG1 4.4Å; C199-V214 CarbonylContact C-O 3.52Å; C199-V214 WeakPolarHBondContact CA-O 3.31Å; I200-V214 PolarHBondContact N-O 2.83Å; I200-V214 PolarHBondContact O-N 2.86Å; F212-V214 HydrophobicContact CD2-CG2 3.57Å; F212-V214 HydrophobicContact CE2-CG2 3.58Å; V214-F216 HydrophobicContact CB-CD2 4.44Å; V214-F216 HydrophobicContact CB-CE2 3.61Å; V214-F216 HydrophobicContact CB-CZ 3.89Å; V214-F216 HydrophobicContact CG1-CD2 4.14Å; V214-F216 HydrophobicContact CG1-CE1 3.91Å; V214-F216 HydrophobicContact CG1-CE2 3.41Å; V214-F216 VanDerWaalsContact CG1-CE2 3.41Å; V214-F216 HydrophobicContact CG1-CZ 3.28Å
215R87.3Confident85.8Confident157 Ų15773 Ų7359%0.59235%0.347SS*.EExtended strand (participates in β ladder)trans-108.4123.3-179-61.8-173.6174160.8-1.7109.8L152 V198L152-R215 WeakPolarHBondContact CD2-O 3.44Å; V198-R215 WeakPolarHBondContact O-CA 3.36Å
216F84.1Confident85.7Confident2 Ų269 Ų691%0.00935%0.347CS..EExtended strand (participates in β ladder)trans-118.1151.1-179.7-61-84000110.9F148 A150 L152 F158 L197 V198 I200 V214 L224F148-F216 HydrophobicContact CE1-CE1 4.46Å; A150-F216 HydrophobicContact CB-CD1 4.23Å; A150-F216 HydrophobicContact CB-CE1 3.98Å; L152-F216 HydrophobicContact CD2-CD1 4.06Å; L152-F216 HydrophobicContact CD2-CE1 3.93Å; L152-F216 HydrophobicContact CD2-CZ 4.48Å; F158-F216 HydrophobicContact CB-CE1 4.27Å; F158-F216 HydrophobicContact CB-CZ 4.42Å; F158-F216 AromaticContact CD1-CE1 3.77Å; F158-F216 HydrophobicContact CD1-CE1 3.77Å; F158-F216 AromaticContact CD1-CZ 3.61Å; F158-F216 HydrophobicContact CD1-CZ 3.61Å; F158-F216 HydrophobicContact CD2-CZ 4.04Å; F158-F216 HydrophobicContact CE1-CE1 4.24Å; F158-F216 AromaticContact CE1-CZ 3.71Å; F158-F216 HydrophobicContact CE1-CZ 3.71Å; F158-F216 HydrophobicContact CE2-CZ 4.2Å; F158-F216 HydrophobicContact CG-CE1 4.01Å; F158-F216 AromaticContact CG-CZ 3.77Å; F158-F216 HydrophobicContact CG-CZ 3.77Å; F158-F216 HydrophobicContact CZ-CZ 4.03Å; L197-F216 CarbonylContact C-O 3.6Å; L197-F216 VanDerWaalsContact CA-O 3.31Å; L197-F216 WeakPolarHBondContact CA-O 3.46Å; V198-F216 PolarHBondContact N-O 3.36Å; V198-F216 PolarHBondContact O-N 2.92Å; I200-F216 HydrophobicContact CB-CD2 4.42Å; I200-F216 HydrophobicContact CB-CE2 4.15Å; I200-F216 HydrophobicContact CD1-CD2 3.69Å; I200-F216 HydrophobicContact CD1-CE2 3.76Å; I200-F216 HydrophobicContact CG1-CD2 4Å; I200-F216 HydrophobicContact CG1-CE2 4.15Å; V214-F216 HydrophobicContact CB-CD2 4.44Å; V214-F216 HydrophobicContact CB-CE2 3.61Å; V214-F216 HydrophobicContact CB-CZ 3.89Å; V214-F216 HydrophobicContact CG1-CD2 4.14Å; V214-F216 HydrophobicContact CG1-CE1 3.91Å; V214-F216 HydrophobicContact CG1-CE2 3.41Å; V214-F216 VanDerWaalsContact CG1-CE2 3.41Å; V214-F216 HydrophobicContact CG1-CZ 3.28Å; F216-L224 HydrophobicContact CD2-CD2 4.44Å; F216-L224 HydrophobicContact CE1-CD2 4.34Å; F216-L224 HydrophobicContact CE2-CD2 4.09Å; F216-L224 HydrophobicContact CZ-CD2 4.03Å
217N82.3Confident85.8Confident57 Ų5766 Ų6631%0.30533%0.33SS..EExtended strand (participates in β ladder)trans-71.6145160.7-63.3-27.7000109.2Q196 L197 Y219 L220Q196-N217 CarbonylContact O-C 3.29Å; L197-N217 WeakPolarHBondContact CD2-OD1 3.41Å; N217-Y219 VanDerWaalsContact C-N 3.26Å; N217-Y219 HydrophobicContact CB-CD1 3.57Å; N217-Y219 HydrophobicContact CB-CE1 3.19Å; N217-Y219 HydrophobicContact CB-CG 4.5Å; N217-Y219 WeakPolarHBondContact ND2-CE1 3.01Å; N217-Y219 PolarHBondContact ND2-OH 2.99Å; N217-Y219 PolarHBondContact O-N 3.48Å; N217-L220 WeakPolarHBondContact O-CB 3.35Å; N217-L220 PolarHBondContact O-N 3.5Å; N217-L220 VanDerWaalsContact O-N 3.08Å
218G75.2Confident86Confident20 Ų2064.5 Ų64.521%0.20631%0.311CS..THydrogen-bonded Turntrans-59.9-33.7-172.600000113.3Q196 L220 L221Q196-G218 WeakPolarHBondContact O-CA 3.47Å; Q196-G218 PolarHBondContact O-N 3.02Å; G218-L220 VanDerWaalsContact C-N 3.29Å; G218-L220 PolarHBondContact O-N 2.93Å; G218-L221 WeakPolarHBondContact O-CB 3.45Å; G218-L221 PolarHBondContact O-N 3.36Å; G218-L221 VanDerWaalsContact O-N 3.11Å
219Y78.4Confident86.2Confident151 Ų15172.1 Ų72.159%0.59234%0.338SS*.THydrogen-bonded Turntrans-63.4-32.7178.167.9-95.6000113N217 L221N217-Y219 VanDerWaalsContact C-N 3.26Å; N217-Y219 HydrophobicContact CB-CD1 3.57Å; N217-Y219 HydrophobicContact CB-CE1 3.19Å; N217-Y219 HydrophobicContact CB-CG 4.5Å; N217-Y219 WeakPolarHBondContact ND2-CE1 3.01Å; N217-Y219 PolarHBondContact ND2-OH 2.99Å; N217-Y219 PolarHBondContact O-N 3.48Å; Y219-L221 PolarHBondContact O-N 3.27Å
220L84.6Confident86.1Confident30 Ų3072.9 Ų72.916%0.15734%0.341CS..Hα-helixtrans-72-15.5177.7-67.4174.8000112.9F148 A150 N217 G218 R222 D223 L224F148-L220 HydrophobicContact CE2-CD2 4.45Å; F148-L220 HydrophobicContact CZ-CB 4.29Å; A150-L220 HydrophobicContact CB-CD1 4.23Å; N217-L220 WeakPolarHBondContact O-CB 3.35Å; N217-L220 PolarHBondContact O-N 3.5Å; N217-L220 VanDerWaalsContact O-N 3.08Å; G218-L220 VanDerWaalsContact C-N 3.29Å; G218-L220 PolarHBondContact O-N 2.93Å; L220-R222 PolarHBondContact O-N 3.36Å; L220-D223 PolarHBondContact O-N 2.67Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.39Å; L220-L224 PolarHBondContact O-N 3.37Å
221L82.4Confident85.8Confident20 Ų2070.9 Ų70.911%0.10534%0.342CS..Hα-helixtrans-65.7-30.1-177.4-170.365.3000111.7V198 I200 G218 Y219 R225 I232V198-L221 HydrophobicContact CG2-CD2 4.46Å; I200-L221 HydrophobicContact CD1-CD1 3.84Å; G218-L221 WeakPolarHBondContact O-CB 3.45Å; G218-L221 PolarHBondContact O-N 3.36Å; G218-L221 VanDerWaalsContact O-N 3.11Å; Y219-L221 PolarHBondContact O-N 3.27Å; L221-R225 VanDerWaalsContact O-CB 3.29Å; L221-R225 WeakPolarHBondContact O-CB 3.4Å; L221-R225 VanDerWaalsContact O-CG 3.23Å; L221-R225 WeakPolarHBondContact O-CG 3.38Å; L221-R225 PolarHBondContact O-N 3.36Å; L221-I232 HydrophobicContact CD1-CD1 3.87Å
222R80.2Confident85.4Confident208 Ų20868.2 Ų68.279%0.78532%0.323SS*.Hα-helixtrans-66.6-50177.7-165.8-178.5-152.7-178.36.6111L220 L224 R225 S226L220-R222 PolarHBondContact O-N 3.36Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-R225 PolarHBondContact O-N 2.91Å; R222-S226 PolarHBondContact O-N 3.1Å
223D86.4Confident84.7Confident82 Ų8269.9 Ų69.944%0.43934%0.34SS..Hα-helixtrans-68.8-35.5-179.5-58.2-19.6000111.5F148 L220 S226 K227F148-D223 HydrophobicContact CD2-CB 3.94Å; F148-D223 HydrophobicContact CE2-CB 3.75Å; L220-D223 PolarHBondContact O-N 2.67Å; D223-S226 PolarHBondContact O-N 3Å; D223-S226 PolarHBondContact O-OG 2.86Å; D223-K227 PolarHBondContact O-N 3.45Å
224L88.9Confident83.4Confident0 Ų074.2 Ų74.20%035%0.349CS..Hα-helixtrans-63.6-45.5172.5176.959.2000111.1F148 F158 V160 I200 F216 L220 R222 S226 K227 L228F148-L224 HydrophobicContact CD1-CD1 3.86Å; F148-L224 HydrophobicContact CE1-CB 4.07Å; F148-L224 HydrophobicContact CE1-CD1 3.8Å; F148-L224 HydrophobicContact CE1-CG 4.42Å; F148-L224 HydrophobicContact CE2-CB 4.28Å; F148-L224 HydrophobicContact CZ-CB 3.91Å; F148-L224 HydrophobicContact CZ-CD1 4.5Å; F158-L224 HydrophobicContact CE1-CD1 3.8Å; V160-L224 HydrophobicContact CG2-CD1 3.73Å; I200-L224 HydrophobicContact CD1-CD2 3.76Å; F216-L224 HydrophobicContact CD2-CD2 4.44Å; F216-L224 HydrophobicContact CE1-CD2 4.34Å; F216-L224 HydrophobicContact CE2-CD2 4.09Å; F216-L224 HydrophobicContact CZ-CD2 4.03Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.39Å; L220-L224 PolarHBondContact O-N 3.37Å; R222-L224 VanDerWaalsContact C-N 3.34Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 2.9Å; L224-K227 PolarHBondContact O-N 3Å; L224-L228 HydrophobicContact CD1-CD1 3.83Å; L224-L228 HydrophobicContact CD1-CD2 4.46Å; L224-L228 HydrophobicContact CD1-CG 3.95Å; L224-L228 HydrophobicContact CD2-CD1 4.42Å; L224-L228 HydrophobicContact CG-CD1 3.73Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.28Å; L224-L228 PolarHBondContact O-N 3.27Å
225R86.5Confident81.7Confident132 Ų13276.2 Ų76.250%0.49836%0.36SS..Hα-helixtrans-64.8-34.7178.8-81.6176.5174.9168.2-1.4112.8L221 R222 K227 I232L221-R225 VanDerWaalsContact O-CB 3.29Å; L221-R225 WeakPolarHBondContact O-CB 3.4Å; L221-R225 VanDerWaalsContact O-CG 3.23Å; L221-R225 WeakPolarHBondContact O-CG 3.38Å; L221-R225 PolarHBondContact O-N 3.36Å; R222-R225 PolarHBondContact O-N 2.91Å; R225-K227 VanDerWaalsContact C-N 3.28Å; R225-K227 PolarHBondContact O-N 3.42Å; R225-I232 HydrophobicContact CG-CD1 3.71Å
226S87Confident79.7Confident100 Ų10077 Ų7770%0.69938%0.375SS*.Hα-helixtrans-69.7-26.917864.70000112.6R222 D223 L224R222-S226 PolarHBondContact O-N 3.1Å; D223-S226 PolarHBondContact O-N 3Å; D223-S226 PolarHBondContact O-OG 2.86Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 2.9Å
227K91Very high77.8Confident29 Ų2980.9 Ų80.913%0.12640%0.403CS..Hα-helixtrans-89.5-25.9178.1-167.459.4-178.6-176.60114.4D146 F148 V160 T161 N162 D223 L224 R225D146-K227 WeakPolarHBondContact O-CD 3.42Å; D146-K227 WeakPolarHBondContact O-CE 3.23Å; D146-K227 PolarHBondContact O-NZ 3.42Å; D146-K227 IonicContact OD1-NZ 2.8Å; D146-K227 IonicContact OD2-NZ 2.8Å; D146-K227 PolarHBondContact OD2-NZ 3.25Å; F148-K227 HydrophobicContact CB-CB 4.04Å; F148-K227 HydrophobicContact CB-CG 4.03Å; V160-K227 HydrophobicContact CB-CG 4.32Å; V160-K227 HydrophobicContact CG1-CG 4Å; T161-K227 WeakPolarHBondContact O-CE 3.31Å; N162-K227 PolarHBondContact OD1-NZ 3.47Å; D223-K227 PolarHBondContact O-N 3.45Å; L224-K227 PolarHBondContact O-N 3Å; R225-K227 VanDerWaalsContact C-N 3.28Å; R225-K227 PolarHBondContact O-N 3.42Å
228L89.8Confident76Confident17 Ų1779 Ų799%0.08939%0.394CS..  trans-73.6130.5-179.8-75.1169.3000111.9V160 I165 L183 L224 I230 I232V160-L228 HydrophobicContact CG1-CD2 3.93Å; I165-L228 HydrophobicContact CD1-CD2 4.08Å; L183-L228 HydrophobicContact CD1-CD1 4.21Å; L183-L228 HydrophobicContact CD1-CD2 3.98Å; L183-L228 HydrophobicContact CD2-CD1 4.17Å; L224-L228 HydrophobicContact CD1-CD1 3.83Å; L224-L228 HydrophobicContact CD1-CD2 4.46Å; L224-L228 HydrophobicContact CD1-CG 3.95Å; L224-L228 HydrophobicContact CD2-CD1 4.42Å; L224-L228 HydrophobicContact CG-CD1 3.73Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.28Å; L224-L228 PolarHBondContact O-N 3.27Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I232 HydrophobicContact CD1-CD1 3.84Å; L228-I232 HydrophobicContact CD1-CG1 3.76Å
229R88.2Confident74.7Confident168 Ų16884.1 Ų84.163%0.63442%0.42SS*.SBendtrans-80.3-15.9171.2-64.7-178.1176.3171.54113.7N162N162-R229 WeakPolarHBondContact O-CD 3.36Å; N162-R229 PolarHBondContact O-NE 2.81Å; N162-R229 PolarHBondContact O-NH1 2.81Å
230I87.3Confident73.4Confident34 Ų3479.8 Ų79.817%0.17441%0.405CS..SBendtrans-111.1145.7-178.353.3160.8000111.4Q178 A181 L183 L228Q178-I230 WeakPolarHBondContact O-CD1 3.17Å; Q178-I230 WeakPolarHBondContact O-CG2 3.28Å; A181-I230 HydrophobicContact CB-CD1 3.7Å; A181-I230 VanDerWaalsContact O-CD1 3.25Å; A181-I230 WeakPolarHBondContact O-CD1 3.47Å; L183-I230 HydrophobicContact CD1-CD1 3.25Å; L183-I230 HydrophobicContact CD1-CG1 3.71Å; L228-I230 VanDerWaalsContact C-N 3.33Å
231P83.4Confident72.5Confident115 Ų11580.6 Ų80.675%0.74741%0.414SS*.  trans-67.9142.6177.928.6-34.2000110.5A233P231-A233 PolarHBondContact O-N 3.5Å
232I81.3Confident72.2Confident23 Ų2382.2 Ų82.212%0.11842%0.424CS..EExtended strand (participates in β ladder)trans-80.8102.3167-53.8173.6000106.5L183 I185 I200 L221 R225 L228 R234L183-I232 HydrophobicContact CB-CB 4.48Å; L183-I232 HydrophobicContact CB-CG1 4.32Å; L183-I232 HydrophobicContact CB-CG2 4.16Å; I185-I232 HydrophobicContact CD1-CG2 4.08Å; I185-I232 HydrophobicContact CG1-CG2 3.62Å; I200-I232 HydrophobicContact CD1-CD1 4.23Å; I200-I232 HydrophobicContact CG2-CG2 4.45Å; L221-I232 HydrophobicContact CD1-CD1 3.87Å; R225-I232 HydrophobicContact CG-CD1 3.71Å; L228-I232 HydrophobicContact CD1-CD1 3.84Å; L228-I232 HydrophobicContact CD1-CG1 3.76Å; I232-R234 PolarHBondContact O-N 3.22Å
233A74.7Confident72.1Confident53 Ų5376.1 Ų76.144%0.43841%0.405SS..EExtended strand (participates in β ladder)trans-60.6136.1174.100000108.8L183 S184 I185 P231L183-A233 PolarHBondContact O-N 2.82Å; S184-A233 CarbonylContact C-O 3.51Å; S184-A233 WeakPolarHBondContact CA-O 3.38Å; I185-A233 PolarHBondContact N-O 2.84Å; P231-A233 PolarHBondContact O-N 3.5Å
234R62Low71.7Confident154 Ų15474.9 Ų74.958%0.58140%0.398SS*.EExtended strand (participates in β ladder)trans-78.1123.6161.2-167.7169.7-82.9171.2-9.2104.4I232 D236 V238I232-R234 PolarHBondContact O-N 3.22Å; R234-D236 PolarHBondContact O-N 3.36Å; R234-D236 VanDerWaalsContact O-N 3.13Å; R234-V238 HydrophobicContact CG-CB 4.5Å; R234-V238 HydrophobicContact CG-CG2 4.03Å
235L54.7Low71.2Confident49 Ų4981.1 Ų81.126%0.25742%0.422SS..PPolyproline II helixtrans-59.4123.6163.4-95.9134.3000104.8S184 I185 V186 S237 V238S184-L235 VanDerWaalsContact OG-CD1 3.25Å; S184-L235 WeakPolarHBondContact OG-CD1 3.43Å; I185-L235 WeakPolarHBondContact O-CB 3.23Å; I185-L235 PolarHBondContact O-N 3.48Å; V186-L235 HydrophobicContact CG2-CD1 4.32Å; L235-S237 WeakPolarHBondContact CD2-OG 3.32Å; L235-S237 PolarHBondContact O-N 2.85Å; L235-V238 HydrophobicContact CB-CG2 4.43Å; L235-V238 WeakPolarHBondContact O-CG2 3.39Å; L235-V238 PolarHBondContact O-N 2.93Å
236D45.5Very low71.3Confident173 Ų17375.4 Ų75.493%0.92540%0.4SS*.THydrogen-bonded Turntrans-59.1-10.3174.2-63.4-40.1000111.7R234R234-D236 PolarHBondContact O-N 3.36Å; R234-D236 VanDerWaalsContact O-N 3.13Å
237S42.9Very low71.3Confident84 Ų8471.2 Ų71.259%0.58737%0.37SS*.THydrogen-bonded Turntrans-97.715.6171.162.50000115.2L235 V239L235-S237 WeakPolarHBondContact CD2-OG 3.32Å; L235-S237 PolarHBondContact O-N 2.85Å; S237-V239 VanDerWaalsContact C-N 3.32Å; S237-V239 PolarHBondContact O-N 3.48Å
238V45.8Very low71Confident18 Ų1873.8 Ų73.811%0.10938%0.383CS..SBendtrans-59.7108.8155.9176.10000104.1I185 R234 L235 Q240I185-V238 HydrophobicContact CB-CG2 4.31Å; I185-V238 HydrophobicContact CG2-CG2 4.07Å; I185-V238 WeakPolarHBondContact O-CG2 3.44Å; R234-V238 HydrophobicContact CG-CB 4.5Å; R234-V238 HydrophobicContact CG-CG2 4.03Å; L235-V238 HydrophobicContact CB-CG2 4.43Å; L235-V238 WeakPolarHBondContact O-CG2 3.39Å; L235-V238 PolarHBondContact O-N 2.93Å; V238-Q240 PolarHBondContact O-N 3.02Å
239V46.6Very low70.9Confident127 Ų12774.9 Ų74.977%0.7740%0.395SS*.  trans-56.886.4167.4-175.70000105.1S237 S241S237-V239 VanDerWaalsContact C-N 3.32Å; S237-V239 PolarHBondContact O-N 3.48Å; V239-S241 PolarHBondContact O-N 3.18Å
240Q51.9Low71.1Confident59 Ų5966.9 Ų66.928%0.27637%0.365SS..  trans-52.6128.6166-79.2174.4-18.400103.8V238 V242 D244 R245 M248V238-Q240 PolarHBondContact O-N 3.02Å; Q240-V242 PolarHBondContact O-N 3.2Å; Q240-D244 HydrophobicContact CB-CB 4.27Å; Q240-R245 HydrophobicContact CB-CG 3.57Å; Q240-R245 PolarHBondContact O-NE 3.45Å; Q240-R245 VanDerWaalsContact OE1-CG 3.29Å; Q240-M248 HydrophobicContact CG-CE 4.47Å
241S66.5Low71.4Confident47 Ų4768 Ų6833%0.32937%0.369SS..  trans-51.1143.8177.970.60000107V239 E243 D244 R245V239-S241 PolarHBondContact O-N 3.18Å; S241-E243 PolarHBondContact O-N 3.38Å; S241-D244 WeakPolarHBondContact CB-OD2 3.48Å; S241-D244 PolarHBondContact N-OD2 3.15Å; S241-D244 PolarHBondContact O-N 2.79Å; S241-D244 WeakPolarHBondContact OG-CB 3.25Å; S241-D244 PolarHBondContact OG-N 3.37Å; S241-D244 PolarHBondContact OG-OD2 2.97Å; S241-R245 PolarHBondContact O-N 2.94Å
242V74.7Confident71.7Confident54 Ų5468.5 Ų68.533%0.32736%0.362SS..Hα-helixtrans-49.8-35.4177.6170.60000109.9Q240 F246 P331 W334Q240-V242 PolarHBondContact O-N 3.2Å; V242-F246 WeakPolarHBondContact O-CB 3.45Å; V242-F246 PolarHBondContact O-N 3.2Å; V242-P331 HydrophobicContact CG1-CB 3.29Å; V242-P331 HydrophobicContact CG1-CG 4.11Å; V242-W334 HydrophobicContact CG1-CH2 3.87Å; V242-W334 HydrophobicContact CG1-CZ2 4.11Å; V242-W334 HydrophobicContact CG1-CZ3 4.18Å
243E79.3Confident72.2Confident81 Ų8171.7 Ų71.738%0.37937%0.373SS..Hα-helixtrans-61-50.6171.5-160.6-178.5164.100113.6S241 R245 F246 I247 A323S241-E243 PolarHBondContact O-N 3.38Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.35Å; E243-F246 WeakPolarHBondContact O-CB 3.36Å; E243-F246 PolarHBondContact O-N 3.12Å; E243-I247 HydrophobicContact CG-CD1 4Å; E243-I247 WeakPolarHBondContact O-CD1 3.2Å; E243-I247 VanDerWaalsContact O-CG1 3.23Å; E243-I247 WeakPolarHBondContact O-CG1 3.06Å; E243-I247 PolarHBondContact O-N 3.23Å; E243-A323 HydrophobicContact CG-CB 3.95Å
244D77.8Confident73.1Confident55 Ų5569.2 Ų69.229%0.29435%0.352SS..Hα-helixtrans-60.7-40.9177.7-66.9-44.9000112.4Q240 S241 I247 M248Q240-D244 HydrophobicContact CB-CB 4.27Å; S241-D244 WeakPolarHBondContact CB-OD2 3.48Å; S241-D244 PolarHBondContact N-OD2 3.15Å; S241-D244 PolarHBondContact O-N 2.79Å; S241-D244 WeakPolarHBondContact OG-CB 3.25Å; S241-D244 PolarHBondContact OG-N 3.37Å; S241-D244 PolarHBondContact OG-OD2 2.97Å; D244-I247 PolarHBondContact O-N 3.01Å; D244-M248 WeakPolarHBondContact O-CG 3.3Å; D244-M248 PolarHBondContact O-N 3.24Å
245R78.6Confident74.6Confident132 Ų13265.9 Ų65.950%0.49835%0.346SS..Hα-helixtrans-63.4-44.3175.7-76.4-170.9-74.21580.1111.3Q240 S241 E243 M248 A249Q240-R245 HydrophobicContact CB-CG 3.57Å; Q240-R245 PolarHBondContact O-NE 3.45Å; Q240-R245 VanDerWaalsContact OE1-CG 3.29Å; S241-R245 PolarHBondContact O-N 2.94Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.35Å; R245-M248 PolarHBondContact O-N 3.43Å; R245-A249 WeakPolarHBondContact O-CB 3.21Å; R245-A249 PolarHBondContact O-N 3Å
246F87.6Confident76.3Confident11 Ų1169.4 Ų69.45%0.04837%0.365CS..Hα-helixtrans-61.9-46.4175.5173.2-95.1000111.6V242 E243 M248 A249 F250 F322 A323 W334 M335V242-F246 WeakPolarHBondContact O-CB 3.45Å; V242-F246 PolarHBondContact O-N 3.2Å; E243-F246 WeakPolarHBondContact O-CB 3.36Å; E243-F246 PolarHBondContact O-N 3.12Å; F246-M248 VanDerWaalsContact C-N 3.3Å; F246-M248 PolarHBondContact O-N 3.19Å; F246-A249 PolarHBondContact O-N 3.33Å; F246-F250 HydrophobicContact CD1-CB 4.43Å; F246-F250 HydrophobicContact CE1-CB 4.04Å; F246-F250 HydrophobicContact CE1-CD2 4.12Å; F246-F250 HydrophobicContact CE1-CG 4.25Å; F246-F250 HydrophobicContact CZ-CB 4.14Å; F246-F250 AromaticContact CZ-CD2 3.81Å; F246-F250 HydrophobicContact CZ-CD2 3.81Å; F246-F250 HydrophobicContact CZ-CG 4.3Å; F246-F250 WeakPolarHBondContact O-CB 3.48Å; F246-F250 PolarHBondContact O-N 2.99Å; F246-F322 HydrophobicContact CE1-CB 4.29Å; F246-F322 AromaticContact CE1-CD1 3.94Å; F246-F322 HydrophobicContact CE1-CD1 3.94Å; F246-F322 HydrophobicContact CE1-CG 4.48Å; F246-F322 HydrophobicContact CE2-CD1 4.36Å; F246-F322 HydrophobicContact CZ-CB 4.48Å; F246-F322 AromaticContact CZ-CD1 3.39Å; F246-F322 HydrophobicContact CZ-CD1 3.39Å; F246-F322 AromaticContact CZ-CE1 3.91Å; F246-F322 HydrophobicContact CZ-CE1 3.91Å; F246-F322 HydrophobicContact CZ-CG 4.19Å; F246-A323 HydrophobicContact CD1-CB 3.64Å; F246-A323 HydrophobicContact CE1-CB 3.9Å; F246-W334 HydrophobicContact CB-CE3 3.61Å; F246-W334 HydrophobicContact CB-CZ3 3.93Å; F246-W334 HydrophobicContact CD1-CE3 4.03Å; F246-W334 HydrophobicContact CD1-CZ3 4.48Å; F246-W334 HydrophobicContact CD2-CB 3.5Å; F246-W334 HydrophobicContact CD2-CD2 4.39Å; F246-W334 AromaticContact CD2-CE3 3.76Å; F246-W334 HydrophobicContact CD2-CE3 3.76Å; F246-W334 HydrophobicContact CD2-CG 4.37Å; F246-W334 HydrophobicContact CE2-CB 3.53Å; F246-W334 HydrophobicContact CE2-CE3 4.45Å; F246-W334 HydrophobicContact CG-CB 4.43Å; F246-W334 AromaticContact CG-CE3 3.5Å; F246-W334 HydrophobicContact CG-CE3 3.5Å; F246-W334 HydrophobicContact CG-CZ3 4.16Å; F246-W334 HydrophobicContact CZ-CB 4.48Å; F246-M335 HydrophobicContact CD2-CG 4.4Å; F246-M335 HydrophobicContact CD2-SD 4.05Å; F246-M335 HydrophobicContact CE2-CG 4.09Å; F246-M335 HydrophobicContact CE2-SD 3.53Å; F246-M335 VanDerWaalsContact CE2-SD 3.53Å; F246-M335 HydrophobicContact CZ-SD 4.25Å
247I88.3Confident78.5Confident12 Ų1264.7 Ų64.76%0.06235%0.345CS..Hα-helixtrans-60.2-42.5-179-66158.4000110.5E243 D244 F250 Q251 R320E243-I247 HydrophobicContact CG-CD1 4Å; E243-I247 WeakPolarHBondContact O-CD1 3.2Å; E243-I247 VanDerWaalsContact O-CG1 3.23Å; E243-I247 WeakPolarHBondContact O-CG1 3.06Å; E243-I247 PolarHBondContact O-N 3.23Å; D244-I247 PolarHBondContact O-N 3.01Å; I247-F250 PolarHBondContact O-N 2.89Å; I247-Q251 HydrophobicContact CG2-CG 4.3Å; I247-Q251 WeakPolarHBondContact O-CB 3.42Å; I247-Q251 WeakPolarHBondContact O-CG 3.2Å; I247-Q251 PolarHBondContact O-N 2.8Å; I247-R320 HydrophobicContact CD1-CG 3.37Å; I247-R320 HydrophobicContact CG1-CG 4.13Å
248M85.1Confident80.8Confident83 Ų8361.2 Ų61.241%0.40932%0.32SS..Hα-helixtrans-64.1-46.4176.5-70.2-170.6-66.900112Q240 D244 R245 F246 F250 Q251 E252Q240-M248 HydrophobicContact CG-CE 4.47Å; D244-M248 WeakPolarHBondContact O-CG 3.3Å; D244-M248 PolarHBondContact O-N 3.24Å; R245-M248 PolarHBondContact O-N 3.43Å; F246-M248 VanDerWaalsContact C-N 3.3Å; F246-M248 PolarHBondContact O-N 3.19Å; M248-F250 VanDerWaalsContact C-N 3.34Å; M248-F250 PolarHBondContact O-N 3.26Å; M248-Q251 PolarHBondContact O-N 3.24Å; M248-E252 WeakPolarHBondContact O-CB 3.43Å; M248-E252 PolarHBondContact O-N 3.22Å
249A87.3Confident83Confident41 Ų4163.4 Ų63.434%0.33934%0.335SS..Hα-helixtrans-62.8-40.8177.400000112.2R245 F246 Y253R245-A249 WeakPolarHBondContact O-CB 3.21Å; R245-A249 PolarHBondContact O-N 3Å; F246-A249 PolarHBondContact O-N 3.33Å; A249-Y253 VanDerWaalsContact O-CB 3.26Å; A249-Y253 WeakPolarHBondContact O-CB 3.31Å; A249-Y253 PolarHBondContact O-N 3.32Å
250F92.3Very high85.2Confident0 Ų062.6 Ų62.60%032%0.318CS..Hα-helixtrans-61.4-47175178-89.4000111.1F246 I247 M248 V254 L315 F322 M335 V350 V353F246-F250 HydrophobicContact CD1-CB 4.43Å; F246-F250 HydrophobicContact CE1-CB 4.04Å; F246-F250 HydrophobicContact CE1-CD2 4.12Å; F246-F250 HydrophobicContact CE1-CG 4.25Å; F246-F250 HydrophobicContact CZ-CB 4.14Å; F246-F250 AromaticContact CZ-CD2 3.81Å; F246-F250 HydrophobicContact CZ-CD2 3.81Å; F246-F250 HydrophobicContact CZ-CG 4.3Å; F246-F250 WeakPolarHBondContact O-CB 3.48Å; F246-F250 PolarHBondContact O-N 2.99Å; I247-F250 PolarHBondContact O-N 2.89Å; M248-F250 VanDerWaalsContact C-N 3.34Å; M248-F250 PolarHBondContact O-N 3.26Å; F250-V254 HydrophobicContact CD1-CG2 4.39Å; F250-V254 HydrophobicContact CE1-CG2 4.19Å; F250-V254 HydrophobicContact CZ-CG2 4.27Å; F250-V254 WeakPolarHBondContact O-CB 3.34Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; F250-V254 PolarHBondContact O-N 3.33Å; F250-L315 HydrophobicContact CD1-CD1 4.44Å; F250-L315 HydrophobicContact CE1-CD1 3.86Å; F250-L315 HydrophobicContact CE1-CG 4.48Å; F250-F322 HydrophobicContact CE2-CB 4.37Å; F250-F322 HydrophobicContact CE2-CD2 4.17Å; F250-F322 HydrophobicContact CE2-CG 4.19Å; F250-M335 HydrophobicContact CB-SD 4.33Å; F250-V350 HydrophobicContact CD2-CG1 4.05Å; F250-V350 HydrophobicContact CD2-CG2 3.93Å; F250-V350 HydrophobicContact CE2-CB 4.42Å; F250-V350 HydrophobicContact CE2-CG1 4.12Å; F250-V350 HydrophobicContact CE2-CG2 3.97Å; F250-V353 HydrophobicContact CE2-CG2 4.35Å; F250-V353 HydrophobicContact CZ-CG1 4.27Å; F250-V353 HydrophobicContact CZ-CG2 3.93Å
251Q92.3Very high87.2Confident57 Ų5760.1 Ų60.127%0.26631%0.306SS..Hα-helixtrans-63-48.2178.2-75.6179.9-37.200112.1I247 M248 Y253 V254 L255 L315I247-Q251 HydrophobicContact CG2-CG 4.3Å; I247-Q251 WeakPolarHBondContact O-CB 3.42Å; I247-Q251 WeakPolarHBondContact O-CG 3.2Å; I247-Q251 PolarHBondContact O-N 2.8Å; M248-Q251 PolarHBondContact O-N 3.24Å; Q251-Y253 VanDerWaalsContact C-N 3.35Å; Q251-Y253 PolarHBondContact O-N 3.01Å; Q251-V254 PolarHBondContact O-N 2.91Å; Q251-L255 VanDerWaalsContact O-CB 3.31Å; Q251-L255 WeakPolarHBondContact O-CB 3.3Å; Q251-L255 WeakPolarHBondContact O-CD1 3.32Å; Q251-L255 VanDerWaalsContact O-CG 3.25Å; Q251-L255 WeakPolarHBondContact O-CG 3.16Å; Q251-L255 PolarHBondContact O-N 3.44Å; Q251-L315 HydrophobicContact CB-CD2 4.01Å; Q251-L315 HydrophobicContact CG-CD2 3.81Å; Q251-L315 HydrophobicContact CG-CG 3.88Å
252E91.2Very high88.4Confident125 Ų12561.7 Ų61.758%0.58431%0.311SS*.Hα-helixtrans-60.7-44.5179.6-176174.4-162.200111.5M248 L255 N256M248-E252 WeakPolarHBondContact O-CB 3.43Å; M248-E252 PolarHBondContact O-N 3.22Å; E252-L255 PolarHBondContact O-N 2.66Å; E252-N256 WeakPolarHBondContact O-CB 3.35Å; E252-N256 PolarHBondContact O-N 2.97Å; E252-N256 VanDerWaalsContact O-N 3.1Å; E252-N256 PolarHBondContact O-ND2 3.1Å; E252-N256 VanDerWaalsContact O-ND2 3.17Å
253Y92.1Very high89.1Confident91 Ų9161.9 Ų61.936%0.35731%0.313SS..Hα-helixtrans-62.3-48.6177.4-171.9-85.4000111.9A249 Q251 L255 N256 S257 N258 M335 V350 L351A249-Y253 VanDerWaalsContact O-CB 3.26Å; A249-Y253 WeakPolarHBondContact O-CB 3.31Å; A249-Y253 PolarHBondContact O-N 3.32Å; Q251-Y253 VanDerWaalsContact C-N 3.35Å; Q251-Y253 PolarHBondContact O-N 3.01Å; Y253-L255 VanDerWaalsContact C-N 3.33Å; Y253-L255 PolarHBondContact O-N 2.9Å; Y253-N256 PolarHBondContact O-N 3.38Å; Y253-S257 WeakPolarHBondContact O-CB 3.2Å; Y253-S257 PolarHBondContact O-N 2.99Å; Y253-N258 VanDerWaalsContact CE1-OD1 3.31Å; Y253-N258 WeakPolarHBondContact CE1-OD1 3.37Å; Y253-M335 HydrophobicContact CD1-CE 4.37Å; Y253-M335 HydrophobicContact CD2-CE 4.25Å; Y253-M335 HydrophobicContact CG-CE 3.85Å; Y253-V350 HydrophobicContact CD1-CG1 3.59Å; Y253-V350 HydrophobicContact CE1-CG1 4.04Å; Y253-V350 HydrophobicContact CG-CG1 4.41Å; Y253-L351 HydrophobicContact CE1-CD2 3.86Å; Y253-L351 WeakPolarHBondContact OH-CD2 3.39Å
254V93.7Very high89.6Confident0 Ų062.1 Ų62.10%033%0.329CS..Hα-helixtrans-65.1-37.2179.9174.20000111.6F250 Q251 N258 L315 V350 V353 L355F250-V254 HydrophobicContact CD1-CG2 4.39Å; F250-V254 HydrophobicContact CE1-CG2 4.19Å; F250-V254 HydrophobicContact CZ-CG2 4.27Å; F250-V254 WeakPolarHBondContact O-CB 3.34Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; F250-V254 PolarHBondContact O-N 3.33Å; Q251-V254 PolarHBondContact O-N 2.91Å; V254-N258 HydrophobicContact CG1-CB 4.36Å; V254-L315 HydrophobicContact CB-CD1 4Å; V254-L315 HydrophobicContact CB-CD2 4.48Å; V254-L315 HydrophobicContact CG1-CD1 3.65Å; V254-L315 HydrophobicContact CG1-CD2 4.45Å; V254-L315 HydrophobicContact CG2-CD1 4.26Å; V254-V350 HydrophobicContact CG2-CG1 4.18Å; V254-V353 HydrophobicContact CG1-CB 4.33Å; V254-V353 HydrophobicContact CG1-CG1 3.89Å; V254-V353 HydrophobicContact CG2-CB 4.01Å; V254-V353 HydrophobicContact CG2-CG1 4.05Å; V254-L355 HydrophobicContact CG1-CD1 4.06Å; V254-L355 HydrophobicContact CG1-CG 4Å
255L92.4Very high90.2Very high85 Ų8565.5 Ų65.545%0.44535%0.346SS..Hα-helixtrans-65.5-40.3178.7-80.2162.8000112.5Q251 E252 Y253 R260 L315 L355Q251-L255 VanDerWaalsContact O-CB 3.31Å; Q251-L255 WeakPolarHBondContact O-CB 3.3Å; Q251-L255 WeakPolarHBondContact O-CD1 3.32Å; Q251-L255 VanDerWaalsContact O-CG 3.25Å; Q251-L255 WeakPolarHBondContact O-CG 3.16Å; Q251-L255 PolarHBondContact O-N 3.44Å; E252-L255 PolarHBondContact O-N 2.66Å; Y253-L255 VanDerWaalsContact C-N 3.33Å; Y253-L255 PolarHBondContact O-N 2.9Å; L255-R260 PolarHBondContact O-NH2 3.42Å; L255-L315 HydrophobicContact CG-CD2 4.25Å; L255-L355 HydrophobicContact CD2-CD1 3.57Å; L255-L355 HydrophobicContact CG-CD1 4.09Å
256N91.2Very high90.6Very high122 Ų12262.7 Ų62.765%0.65234%0.336SS*.Hα-helixtrans-96-32.2-169.4-66.3-29.5000114.1E252 Y253E252-N256 WeakPolarHBondContact O-CB 3.35Å; E252-N256 PolarHBondContact O-N 2.97Å; E252-N256 VanDerWaalsContact O-N 3.1Å; E252-N256 PolarHBondContact O-ND2 3.1Å; E252-N256 VanDerWaalsContact O-ND2 3.17Å; Y253-N256 PolarHBondContact O-N 3.38Å
257S90.7Very high90.6Very high74 Ų7465.6 Ų65.652%0.51736%0.356SS..Hα-helixtrans-113.6-26.9-167-55.60000114.2Y253Y253-S257 WeakPolarHBondContact O-CB 3.2Å; Y253-S257 PolarHBondContact O-N 2.99Å
258N92Very high90.4Very high12 Ų1267.1 Ų67.16%0.06437%0.367CS..SBendtrans-84.2148.9-171.2-75.89.9000112.9Y253 V254 V350 V353Y253-N258 VanDerWaalsContact CE1-OD1 3.31Å; Y253-N258 WeakPolarHBondContact CE1-OD1 3.37Å; V254-N258 HydrophobicContact CG1-CB 4.36Å; N258-V350 PolarHBondContact ND2-O 3.43Å; N258-V353 VanDerWaalsContact CB-O 3.32Å; N258-V353 WeakPolarHBondContact CB-O 3.44Å; N258-V353 PolarHBondContact ND2-O 3.49Å
259P91.5Very high90Very high63 Ų6367.9 Ų67.941%0.40937%0.37SS..PPolyproline II helixtrans-64.1155.5175.127.6-34000111.5T287 C354P259-T287 HydrophobicContact CG-CG2 3.7Å; P259-C354 WeakPolarHBondContact O-CB 3.46Å
260R93.4Very high90Very high110 Ų11067.7 Ų67.742%0.41537%0.372SS..EExtended strand (participates in β ladder)trans-100.7146178.7-57.1-59.9-179.1128.1-6.7110.9L255 L355 P356 A357L255-R260 PolarHBondContact O-NH2 3.42Å; R260-L355 CarbonylContact C-O 3.57Å; R260-L355 WeakPolarHBondContact CA-O 3.5Å; R260-L355 WeakPolarHBondContact CB-O 3.3Å; R260-L355 WeakPolarHBondContact CD-O 3.23Å; R260-L355 VanDerWaalsContact NH1-CB 3.31Å; R260-P356 PolarHBondContact NH1-O 2.9Å; R260-A357 HydrophobicContact CB-CB 3.82Å
261Y92.8Very high90Very high7 Ų770.7 Ų70.73%0.02739%0.393CS..EExtended strand (participates in β ladder)trans-99.7152.6175.273.2-91.6000111.1P263 W266 N281 K283 P311 C354 L355 P356 A357Y261-P263 VanDerWaalsContact O-CD 3.3Å; Y261-P263 WeakPolarHBondContact O-CD 3.23Å; Y261-W266 HydrophobicContact CD2-CB 3.89Å; Y261-W266 HydrophobicContact CE2-CB 4Å; Y261-W266 WeakPolarHBondContact CE2-O 3.46Å; Y261-N281 WeakPolarHBondContact CE1-O 3.33Å; Y261-N281 PolarHBondContact OH-O 3.33Å; Y261-K283 HydrophobicContact CD1-CB 3.48Å; Y261-K283 VanDerWaalsContact CD1-CB 3.48Å; Y261-K283 HydrophobicContact CD1-CG 4.39Å; Y261-K283 HydrophobicContact CD2-CB 4.33Å; Y261-K283 HydrophobicContact CE1-CB 3.57Å; Y261-K283 HydrophobicContact CE2-CB 4.42Å; Y261-K283 HydrophobicContact CG-CB 3.89Å; Y261-K283 HydrophobicContact CG-CG 4.36Å; Y261-P311 HydrophobicContact CE2-CG 4.21Å; Y261-C354 HydrophobicContact CD1-CB 3.91Å; Y261-C354 WeakPolarHBondContact CD1-O 3.16Å; Y261-C354 WeakPolarHBondContact CE1-O 3.47Å; Y261-L355 WeakPolarHBondContact CD1-O 3.19Å; Y261-L355 PolarHBondContact N-O 3.23Å; Y261-P356 HydrophobicContact CE1-CB 4.31Å; Y261-P356 HydrophobicContact CE2-CB 4.47Å; Y261-A357 PolarHBondContact O-N 3.39Å
262D92.6Very high90.1Very high80 Ų8068 Ų6843%0.42838%0.38SS..  trans-76.5116175-177.2-3.7000110.8A264 L265 W266D262-A264 PolarHBondContact O-N 2.91Å; D262-A264 VanDerWaalsContact OD1-CB 3.31Å; D262-A264 WeakPolarHBondContact OD1-CB 3.48Å; D262-A264 PolarHBondContact OD1-N 3.49Å; D262-L265 HydrophobicContact CB-CB 4.47Å; D262-L265 HydrophobicContact CB-CD1 4.13Å; D262-L265 HydrophobicContact CB-CG 4.28Å; D262-L265 PolarHBondContact O-N 2.95Å; D262-W266 PolarHBondContact O-N 2.92Å
263P90Very high90.1Very high59 Ų5965.3 Ų65.338%0.38337%0.37SS..THydrogen-bonded Turntrans-61.5-24.1177.6-21.334.1000113.9Y261 L265 W266 P267 P356Y261-P263 VanDerWaalsContact O-CD 3.3Å; Y261-P263 WeakPolarHBondContact O-CD 3.23Å; P263-L265 VanDerWaalsContact C-N 3.33Å; P263-W266 CarbonylContact O-C 3.56Å; P263-W266 VanDerWaalsContact O-C 3.29Å; P263-W266 PolarHBondContact O-N 3.02Å; P263-P267 WeakPolarHBondContact O-CA 3.31Å; P263-P356 HydrophobicContact CG-CB 3.79Å
264A89.6Confident90Very high86 Ų8662.9 Ų62.971%0.71137%0.372SS*.THydrogen-bonded Turntrans-68.9-34.1178.100000112.1D262D262-A264 PolarHBondContact O-N 2.91Å; D262-A264 VanDerWaalsContact OD1-CB 3.31Å; D262-A264 WeakPolarHBondContact OD1-CB 3.48Å; D262-A264 PolarHBondContact OD1-N 3.49Å
265L88.8Confident89.8Confident126 Ų12664.5 Ų64.566%0.6638%0.383SS*.THydrogen-bonded Turntrans-80.2-31176-65.7175.2000112.1D262 P263D262-L265 HydrophobicContact CB-CB 4.47Å; D262-L265 HydrophobicContact CB-CD1 4.13Å; D262-L265 HydrophobicContact CB-CG 4.28Å; D262-L265 PolarHBondContact O-N 2.95Å; P263-L265 VanDerWaalsContact C-N 3.33Å
266W88.5Confident89.7Confident73 Ų7367.6 Ų67.628%0.27739%0.393SS..SBendtrans-13475.6-174.8-59.799.7000111.8Y261 D262 P263 K283 P311Y261-W266 HydrophobicContact CD2-CB 3.89Å; Y261-W266 HydrophobicContact CE2-CB 4Å; Y261-W266 WeakPolarHBondContact CE2-O 3.46Å; D262-W266 PolarHBondContact O-N 2.92Å; P263-W266 CarbonylContact O-C 3.56Å; P263-W266 VanDerWaalsContact O-C 3.29Å; P263-W266 PolarHBondContact O-N 3.02Å; W266-K283 HydrophobicContact CD2-CD 4.1Å; W266-K283 HydrophobicContact CE3-CD 4.19Å; W266-K283 VanDerWaalsContact CE3-NZ 3.3Å; W266-K283 HydrophobicContact CG-CD 4.25Å; W266-K283 VanDerWaalsContact CH2-NZ 3.31Å; W266-P311 HydrophobicContact CB-CG 4.25Å
267P86.7Confident89.5Confident71 Ų7170 Ų7046%0.46140%0.4SS..  trans-65.4143.7179.825.9-33.7000111.9P263P263-P267 WeakPolarHBondContact O-CA 3.31Å
268S84.4Confident89.5Confident44 Ų4470.2 Ų70.231%0.30840%0.396SS..  trans-69.8138.6174.457.60000110.9G270 E279 A280S268-G270 PolarHBondContact O-N 3.3Å; S268-E279 PolarHBondContact OG-OE1 3.2Å; S268-A280 WeakPolarHBondContact CB-O 3.06Å
269E77.4Confident89.4Confident99 Ų9975 Ų7546%0.46342%0.418SS..  trans-85.526.4177.2-66.8-163.3165.200113.3R310 M312E269-R310 WeakPolarHBondContact OE1-CD 3.43Å; E269-R310 IonicContact OE1-CZ 2.64Å; E269-R310 IonicContact OE1-NE 2.9Å; E269-R310 IonicContact OE1-NH1 3.79Å; E269-R310 PolarHBondContact OE1-NH1 2.97Å; E269-M312 HydrophobicContact CB-CE 3.8Å; E269-M312 HydrophobicContact CB-SD 3.61Å; E269-M312 VanDerWaalsContact CD-SD 3.52Å; E269-M312 HydrophobicContact CG-CE 4.33Å; E269-M312 HydrophobicContact CG-SD 3.69Å; E269-M312 WeakPolarHBondContact OE2-CE 3.34Å
270G86.4Confident89.5Confident38 Ų3872 Ų7239%0.39240%0.398SS..SBendtrans94.4-122.9179.100000113.1S268 A280S268-G270 PolarHBondContact O-N 3.3Å; G270-A280 WeakPolarHBondContact O-CB 3.35Å; G270-A280 PolarHBondContact O-N 2.88Å
271S92.4Very high89.5Confident62 Ų6269 Ų6943%0.43439%0.39SS..BIsolated β-bridgetrans-82.6146.2-174.958.10000112.6I273S271-I273 PolarHBondContact O-N 3.46Å
272C94.2Very high89.6Confident0 Ų068.9 Ų68.90%039%0.391CS..  trans-59.1127.1177.8167.80000111.2G274 F276 N278 C314C272-G274 PolarHBondContact O-N 3.05Å; C272-G274 VanDerWaalsContact O-N 3.15Å; C272-G274 PolarHBondContact SG-N 3.46Å; C272-F276 VanDerWaalsContact O-CA 3.28Å; C272-F276 WeakPolarHBondContact O-CA 3.43Å; C272-F276 PolarHBondContact O-N 3.35Å; C272-N278 VanDerWaalsContact CB-O 3.28Å; C272-N278 WeakPolarHBondContact CB-O 3.39Å; C272-N278 PolarHBondContact N-O 3.46Å; C272-C314 HydrophobicContact CB-CB 3.84Å; C272-C314 PolarHBondContact SG-N 3.46Å
273I92Very high89.7Confident70 Ų7065.2 Ų65.236%0.35937%0.371SS..THydrogen-bonded Turntrans-57.5-32.5178.3-61.8179.2000112.3S271 F276 M312S271-I273 PolarHBondContact O-N 3.46Å; I273-F276 WeakPolarHBondContact O-CE2 3.26Å; I273-F276 WeakPolarHBondContact O-CZ 3.48Å; I273-M312 HydrophobicContact CD1-CB 3.73Å; I273-M312 HydrophobicContact CD1-CE 3.59Å; I273-M312 HydrophobicContact CD1-CG 4.17Å; I273-M312 HydrophobicContact CG1-CB 4.19Å; I273-M312 HydrophobicContact CG1-CE 3.96Å; I273-M312 PolarHBondContact N-O 3.21Å
274G88.6Confident89.9Confident39 Ų3963 Ų6340%0.40236%0.356SS..THydrogen-bonded Turntrans-70.2-59.1-179.300000114.3C272C272-G274 PolarHBondContact O-N 3.05Å; C272-G274 VanDerWaalsContact O-N 3.15Å; C272-G274 PolarHBondContact SG-N 3.46Å
275C90.5Very high90.1Very high35 Ų3561.3 Ų61.324%0.23633%0.333CS..THydrogen-bonded Turntrans-99.8-15.8-173.764.50000114.8Q277 N278C275-Q277 WeakPolarHBondContact O-CG 3.38Å; C275-Q277 PolarHBondContact O-N 3.06Å; C275-N278 PolarHBondContact SG-N 3.39Å; C275-N278 VanDerWaalsContact SG-N 3.42Å
276F90Very high90.2Very high150 Ų15059.7 Ų59.766%0.65832%0.321SS*.SBendtrans53.29.6-171.7-66.9-83.3000115.8C272 I273C272-F276 VanDerWaalsContact O-CA 3.28Å; C272-F276 WeakPolarHBondContact O-CA 3.43Å; C272-F276 PolarHBondContact O-N 3.35Å; I273-F276 WeakPolarHBondContact O-CE2 3.26Å; I273-F276 WeakPolarHBondContact O-CZ 3.48Å
277Q88.1Confident90.1Very high172 Ų17259.2 Ų59.280%0.80433%0.326SS*.SBendtrans-109.1-42.2-175.9-72.4174.51100112.5C275C275-Q277 WeakPolarHBondContact O-CG 3.38Å; C275-Q277 PolarHBondContact O-N 3.06Å
278N89.4Confident90.1Very high79 Ų7956.5 Ų56.542%0.42231%0.309SS..SBendtrans-95.8159.5-177.5-62.3-30.6000111C272 C275 C314C272-N278 VanDerWaalsContact CB-O 3.28Å; C272-N278 WeakPolarHBondContact CB-O 3.39Å; C272-N278 PolarHBondContact N-O 3.46Å; C275-N278 PolarHBondContact SG-N 3.39Å; C275-N278 VanDerWaalsContact SG-N 3.42Å; N278-C314 HydrophobicContact CB-CB 3.64Å
279E90.7Very high90Very high113 Ų11357.4 Ų57.453%0.52832%0.315SS..BIsolated β-bridgetrans-67.4141.6173.6-162.9-179.3167.200111.8S268 N281 C314S268-E279 PolarHBondContact OG-OE1 3.2Å; E279-N281 VanDerWaalsContact C-N 3.27Å; E279-N281 PolarHBondContact O-N 2.99Å; E279-N281 PolarHBondContact O-OD1 3.05Å; E279-C314 WeakPolarHBondContact O-CB 3.02Å
280A93.3Very high89.4Confident0 Ų060.4 Ų60.40%033%0.329CS..  trans-77.571.3175.800000111.1S268 G270 P311 M312 W313S268-A280 WeakPolarHBondContact CB-O 3.06Å; G270-A280 WeakPolarHBondContact O-CB 3.35Å; G270-A280 PolarHBondContact O-N 2.88Å; A280-P311 WeakPolarHBondContact O-CB 3.47Å; A280-M312 VanDerWaalsContact CB-C 3.45Å; A280-W313 CarbonylContact C-O 3.59Å
281N92.9Very high88.2Confident45 Ų4566.9 Ų66.924%0.24135%0.349CS..  trans-106.412.2-169.866.8-11.7000114.9Y261 E279 W313 P356Y261-N281 WeakPolarHBondContact CE1-O 3.33Å; Y261-N281 PolarHBondContact OH-O 3.33Å; E279-N281 VanDerWaalsContact C-N 3.27Å; E279-N281 PolarHBondContact O-N 2.99Å; E279-N281 PolarHBondContact O-OD1 3.05Å; N281-W313 PolarHBondContact N-O 2.69Å; N281-P356 HydrophobicContact CB-CG 4.26Å; N281-P356 WeakPolarHBondContact O-CD 3Å
282V94.7Very high86.5Confident6 Ų666.5 Ų66.54%0.03635%0.347CS..BIsolated β-bridgetrans-105.1126.4-179.2-173.90000111.9P311 W313 L315 L318 V353 L355V282-P311 WeakPolarHBondContact O-CA 3.45Å; V282-W313 WeakPolarHBondContact CB-O 3.31Å; V282-W313 WeakPolarHBondContact CG2-O 3.2Å; V282-W313 PolarHBondContact N-O 3.25Å; V282-L315 HydrophobicContact CG2-CB 3.94Å; V282-L315 HydrophobicContact CG2-CD1 4.14Å; V282-L315 VanDerWaalsContact CG2-N 3.32Å; V282-L318 HydrophobicContact CB-CD2 4.41Å; V282-L318 HydrophobicContact CG1-CD2 3.47Å; V282-L318 VanDerWaalsContact CG1-CD2 3.47Å; V282-V353 HydrophobicContact CG1-CG1 3.47Å; V282-V353 VanDerWaalsContact CG1-CG1 3.47Å; V282-L355 HydrophobicContact CG2-CD2 3.95Å
283K94.7Very high84.7Confident2 Ų269.1 Ų69.11%0.00936%0.358CS..EExtended strand (participates in β ladder)trans-110.1136.3174.9-179.864.8-175.8173.70109.8Y261 W266 M285 C307 C309 P311 C354Y261-K283 HydrophobicContact CD1-CB 3.48Å; Y261-K283 VanDerWaalsContact CD1-CB 3.48Å; Y261-K283 HydrophobicContact CD1-CG 4.39Å; Y261-K283 HydrophobicContact CD2-CB 4.33Å; Y261-K283 HydrophobicContact CE1-CB 3.57Å; Y261-K283 HydrophobicContact CE2-CB 4.42Å; Y261-K283 HydrophobicContact CG-CB 3.89Å; Y261-K283 HydrophobicContact CG-CG 4.36Å; W266-K283 HydrophobicContact CD2-CD 4.1Å; W266-K283 HydrophobicContact CE3-CD 4.19Å; W266-K283 VanDerWaalsContact CE3-NZ 3.3Å; W266-K283 HydrophobicContact CG-CD 4.25Å; W266-K283 VanDerWaalsContact CH2-NZ 3.31Å; K283-M285 HydrophobicContact CD-CG 4.38Å; K283-M285 HydrophobicContact CG-CG 3.52Å; K283-M285 HydrophobicContact CG-SD 4.01Å; K283-C307 PolarHBondContact NZ-O 2.63Å; K283-C309 WeakPolarHBondContact CD-O 3.32Å; K283-C309 PolarHBondContact NZ-O 3.17Å; K283-P311 HydrophobicContact CB-CG 4.14Å; K283-P311 HydrophobicContact CD-CG 4.34Å; K283-C354 PolarHBondContact N-O 3.06Å; K283-C354 PolarHBondContact O-N 3.42Å
284I95.1Very high82.3Confident14 Ų1468.1 Ų68.17%0.07237%0.365CS..EExtended strand (participates in β ladder)trans-95.3120.3170.2-59.5166.1000107.6C307 L318 C341 F348 D352I284-C307 HydrophobicContact CB-CB 4.1Å; I284-C307 HydrophobicContact CG2-CB 3.86Å; I284-L318 HydrophobicContact CD1-CD1 4.27Å; I284-L318 HydrophobicContact CG1-CD2 4.32Å; I284-C341 HydrophobicContact CD1-CB 4.07Å; I284-F348 HydrophobicContact CD1-CD1 3.87Å; I284-F348 HydrophobicContact CD1-CD2 4.34Å; I284-F348 HydrophobicContact CD1-CE1 3.81Å; I284-F348 HydrophobicContact CD1-CE2 4.27Å; I284-F348 HydrophobicContact CD1-CG 4.17Å; I284-F348 HydrophobicContact CD1-CZ 4.02Å; I284-F348 HydrophobicContact CG1-CD2 4.38Å; I284-F348 HydrophobicContact CG1-CE2 4.49Å; I284-F348 HydrophobicContact CG1-CG 4.48Å; I284-F348 HydrophobicContact CG2-CB 3.54Å; I284-F348 HydrophobicContact CG2-CD1 4.31Å; I284-F348 HydrophobicContact CG2-CD2 4.12Å; I284-F348 HydrophobicContact CG2-CG 3.75Å; I284-D352 CarbonylContact C-O 3.44Å; I284-D352 WeakPolarHBondContact CA-O 3.19Å; I284-D352 HydrophobicContact CG2-CB 4.29Å
285M92.5Very high80.2Confident49 Ų4974.2 Ų74.224%0.24139%0.388CS..  trans-135132.8176.2-54.7-165.9-58.400108.8K283 T287 D352 C354K283-M285 HydrophobicContact CD-CG 4.38Å; K283-M285 HydrophobicContact CG-CG 3.52Å; K283-M285 HydrophobicContact CG-SD 4.01Å; M285-T287 PolarHBondContact O-N 3.24Å; M285-D352 PolarHBondContact N-O 2.89Å; M285-D352 CarbonylContact O-C 3.58Å; M285-D352 WeakPolarHBondContact O-CA 3.32Å; M285-D352 WeakPolarHBondContact O-CB 3.41Å; M285-C354 HydrophobicContact CE-CB 3.9Å; M285-C354 VanDerWaalsContact CE-SG 3.55Å
286K91.3Very high78.2Confident92 Ų9277.7 Ų77.740%0.440%0.404SS..  trans-66.1109.3178.1-175.7177.9176.9170.40109.6C304 D352K286-C304 WeakPolarHBondContact CD-O 3.42Å; K286-C304 VanDerWaalsContact CE-O 3.3Å; K286-C304 WeakPolarHBondContact CE-O 3.42Å; K286-C304 PolarHBondContact NZ-O 2.9Å; K286-D352 WeakPolarHBondContact CA-OD1 3.32Å
287T87.7Confident76Confident63 Ų6378.2 Ų78.239%0.38741%0.414SS..  trans-122.4-18.6178.6550000111.1P259 M285 L351 D352P259-T287 HydrophobicContact CG-CG2 3.7Å; M285-T287 PolarHBondContact O-N 3.24Å; T287-L351 VanDerWaalsContact OG1-C 3.24Å; T287-L351 PolarHBondContact OG1-O 3.13Å; T287-D352 PolarHBondContact N-OD1 3.13Å; T287-D352 WeakPolarHBondContact OG1-CA 3.47Å
288C86.7Confident74.2Confident14 Ų1473 Ų7310%0.09539%0.394CS..  trans-68.2139.7175.667.70000112.2F293 C304 L351 D352C288-F293 HydrophobicContact CB-CE2 4.49Å; C288-C304 VanDerWaalsContact SG-CB 3.53Å; C288-L351 HydrophobicContact CB-CB 4.13Å; C288-L351 HydrophobicContact CB-CD1 3.88Å; C288-D352 PolarHBondContact N-OD1 3.03Å; C288-D352 VanDerWaalsContact N-OD1 3.11Å; C288-D352 PolarHBondContact SG-OD1 3.43Å; C288-D352 VanDerWaalsContact SG-OD1 3.35Å
289S80.6Confident72.2Confident63 Ų6376.5 Ų76.544%0.44141%0.412SS..  trans-86.9153163.4640000109.8E291 S292S289-E291 PolarHBondContact O-N 2.97Å; S289-E291 VanDerWaalsContact O-N 3.13Å; S289-S292 PolarHBondContact N-OG 2.88Å; S289-S292 VanDerWaalsContact N-OG 3.14Å; S289-S292 VanDerWaalsContact O-CB 3.23Å; S289-S292 WeakPolarHBondContact O-CB 3.43Å; S289-S292 PolarHBondContact O-N 2.8Å; S289-S292 PolarHBondContact O-OG 2.97Å; S289-S292 PolarHBondContact OG-OG 2.87Å
290E66.5Low70.4Confident162 Ų16280.2 Ų80.276%0.75743%0.429SS*.G310 helixtrans-62.1-20.9178.1-66.6-176.7174.500112.5
291E60.5Low69Low174 Ų17484.5 Ų84.581%0.81345%0.45SS*.G310 helixtrans-79-14.9175.1-60.9175.9177.100113.6S289 F293 G294S289-E291 PolarHBondContact O-N 2.97Å; S289-E291 VanDerWaalsContact O-N 3.13Å; E291-F293 PolarHBondContact O-N 3.26Å; E291-F293 VanDerWaalsContact O-N 3.15Å; E291-G294 PolarHBondContact O-N 3.49Å
292S56.9Low68Low55 Ų5588.3 Ų88.339%0.38547%0.469SS..G310 helixtrans-66.9-17.1-174.1-57.10000113.7S289S289-S292 PolarHBondContact N-OG 2.88Å; S289-S292 VanDerWaalsContact N-OG 3.14Å; S289-S292 VanDerWaalsContact O-CB 3.23Å; S289-S292 WeakPolarHBondContact O-CB 3.43Å; S289-S292 PolarHBondContact O-N 2.8Å; S289-S292 PolarHBondContact O-OG 2.97Å; S289-S292 PolarHBondContact OG-OG 2.87Å
293F55.2Low67.6Low55 Ų5592 Ų9224%0.24149%0.493CS..G310 helixtrans-129.544.5-179-65.5-85.6000111.2C288 E291 D295 L336 C349 L351C288-F293 HydrophobicContact CB-CE2 4.49Å; E291-F293 PolarHBondContact O-N 3.26Å; E291-F293 VanDerWaalsContact O-N 3.15Å; F293-D295 PolarHBondContact O-N 3Å; F293-L336 HydrophobicContact CD1-CD2 4.03Å; F293-L336 HydrophobicContact CE1-CD2 3.93Å; F293-C349 HydrophobicContact CE2-CB 4Å; F293-C349 VanDerWaalsContact CE2-SG 3.57Å; F293-C349 HydrophobicContact CZ-CB 4.03Å; F293-L351 HydrophobicContact CE2-CD1 3.64Å; F293-L351 HydrophobicContact CE2-CG 4.21Å; F293-L351 HydrophobicContact CZ-CD1 3.92Å; F293-L351 HydrophobicContact CZ-CG 4.1Å
294G43.1Very low67.3Low48 Ų4892.3 Ų92.350%0.49550%0.496SS..THydrogen-bonded Turntrans-51.4135.717600000113.2E291 L296E291-G294 PolarHBondContact O-N 3.49Å; G294-L296 PolarHBondContact O-N 3.43Å
295D43.1Very low67.1Low167 Ų16794 Ų9489%0.89351%0.509SS*.THydrogen-bonded Turntrans65.534.9156.9-55.3-26000119.7F293F293-D295 PolarHBondContact O-N 3Å
296L48.1Very low67.1Low109 Ų10996 Ų9657%0.57153%0.527SS*.SBendtrans-123.980.8168.9-71171.6000112.7G294 V298 L336G294-L296 PolarHBondContact O-N 3.43Å; L296-V298 VanDerWaalsContact C-N 3.28Å; L296-V298 WeakPolarHBondContact O-CG2 3.45Å; L296-V298 PolarHBondContact O-N 3.41Å; L296-L336 HydrophobicContact CD1-CD1 3.69Å
297N44.2Very low67.2Low160 Ų16091.9 Ų91.986%0.85651%0.51SS*.  trans27.454.2162.8-75.1-24.9000116.2D299N297-D299 PolarHBondContact O-N 2.97Å
298V50.3Low67.4Low64 Ų6495 Ų9539%0.38852%0.524SS..  trans-91.550.2178.4-163.50000110L296 Q300 Q301L296-V298 VanDerWaalsContact C-N 3.28Å; L296-V298 WeakPolarHBondContact O-CG2 3.45Å; L296-V298 PolarHBondContact O-N 3.41Å; V298-Q300 PolarHBondContact O-N 3.33Å; V298-Q301 HydrophobicContact CG1-CB 3.51Å; V298-Q301 HydrophobicContact CG1-CG 4.08Å
299D47Very low67.7Low151 Ų15195.6 Ų95.681%0.80753%0.529SS*.SBendtrans-72.21-178.8-76.4-26000113.4N297N297-D299 PolarHBondContact O-N 2.97Å
300Q54.7Low68.3Low191 Ų19199.3 Ų99.389%0.89353%0.533SS*.SBendtrans-140.3-1.2-176.5-65-174.4-2.700116.7V298V298-Q300 PolarHBondContact O-N 3.33Å
301Q62.4Low69.5Low91 Ų9191.6 Ų91.643%0.42550%0.497SS..SBendtrans-103.9123.3178.8-55.6-178-1200112.2V298 K338V298-Q301 HydrophobicContact CG1-CB 3.51Å; V298-Q301 HydrophobicContact CG1-CG 4.08Å; Q301-K338 HydrophobicContact CB-CD 4.27Å
302L73.2Confident71.1Confident125 Ų12584.6 Ų84.665%0.65447%0.465SS*.PPolyproline II helixtrans-51.4145.2177.8-74.6120.6000112.1K338 T347L302-K338 VanDerWaalsContact O-CD 3.3Å; L302-K338 WeakPolarHBondContact O-CD 3.5Å; L302-K338 PolarHBondContact O-NZ 2.75Å; L302-K338 VanDerWaalsContact O-NZ 3.13Å; L302-T347 WeakPolarHBondContact O-CG2 3.16Å
303P84.8Confident72.9Confident82 Ų8284 Ų8453%0.53245%0.454SS..PPolyproline II helixtrans-62.1151.2174.426.9-34000110.8S305P303-S305 PolarHBondContact O-N 3.39Å
304C89.9Confident74.8Confident10 Ų1081.6 Ų81.67%0.06844%0.444CS..PPolyproline II helixtrans-63133.3176.2-63.60000110K286 C288 T347K286-C304 WeakPolarHBondContact CD-O 3.42Å; K286-C304 VanDerWaalsContact CE-O 3.3Å; K286-C304 WeakPolarHBondContact CE-O 3.42Å; K286-C304 PolarHBondContact NZ-O 2.9Å; C288-C304 VanDerWaalsContact SG-CB 3.53Å; C304-T347 CarbonylContact C-O 3.5Å; C304-T347 VanDerWaalsContact CA-O 3.26Å; C304-T347 WeakPolarHBondContact CA-O 3.18Å
305S91.1Very high77.2Confident49 Ų4980.1 Ų80.134%0.34342%0.424SS..  trans-118.9158.8-177600000111.6P303 C307 A346 T347P303-S305 PolarHBondContact O-N 3.39Å; S305-C307 PolarHBondContact O-N 3.19Å; S305-A346 WeakPolarHBondContact OG-CB 3.44Å; S305-T347 PolarHBondContact N-O 3.32Å; S305-T347 PolarHBondContact OG-N 2.82Å
306S91.5Very high79.6Confident90 Ų9073.3 Ų73.363%0.62939%0.39SS*.  trans-68.2131.9-178.846.80000111.5
307C93.3Very high81.8Confident7 Ų768.7 Ų68.75%0.04737%0.367CS..  trans-110.9117.7179.1-176.60000111.6K283 I284 S305 A346K283-C307 PolarHBondContact NZ-O 2.63Å; I284-C307 HydrophobicContact CB-CB 4.1Å; I284-C307 HydrophobicContact CG2-CB 3.86Å; S305-C307 PolarHBondContact O-N 3.19Å; C307-A346 HydrophobicContact CB-CB 4.11Å
308N92.2Very high84.2Confident127 Ų12761.1 Ų61.168%0.67933%0.326SS*.  trans-98.910.1178.7-67.8-28.1000113.7
309C93.3Very high86.3Confident28 Ų2858.1 Ų58.119%0.18931%0.308CS..  trans-68.7143.6177.6-65.20000111.7K283 N343 C344K283-C309 WeakPolarHBondContact CD-O 3.32Å; K283-C309 PolarHBondContact NZ-O 3.17Å; C309-N343 HydrophobicContact CB-CB 4.21Å; C309-N343 VanDerWaalsContact SG-CB 3.56Å; C309-C344 WeakPolarHBondContact SG-CB 3.47Å; C309-C344 PolarHBondContact SG-SG 2.77Å
310R92.3Very high88.4Confident141 Ų14156.6 Ų56.653%0.53229%0.291SS..  trans-68.6160.6172.3-71.1177.5173.5-171.5-3.8112E269 M312E269-R310 WeakPolarHBondContact OE1-CD 3.43Å; E269-R310 IonicContact OE1-CZ 2.64Å; E269-R310 IonicContact OE1-NE 2.9Å; E269-R310 IonicContact OE1-NH1 3.79Å; E269-R310 PolarHBondContact OE1-NH1 2.97Å; R310-M312 HydrophobicContact CB-SD 4.42Å; R310-M312 WeakPolarHBondContact O-CG 3.49Å; R310-M312 PolarHBondContact O-N 2.76Å; R310-M312 VanDerWaalsContact O-N 3.13Å
311P93.5Very high90.3Very high0 Ų050.6 Ų50.60%026%0.26CS..  trans-62.9109.6172.4-2134.3000111.3Y261 W266 A280 V282 K283Y261-P311 HydrophobicContact CE2-CG 4.21Å; W266-P311 HydrophobicContact CB-CG 4.25Å; A280-P311 WeakPolarHBondContact O-CB 3.47Å; V282-P311 WeakPolarHBondContact O-CA 3.45Å; K283-P311 HydrophobicContact CB-CG 4.14Å; K283-P311 HydrophobicContact CD-CG 4.34Å
312M93.2Very high91.8Very high26 Ų2646.2 Ų46.213%0.12824%0.24CC..  trans-120.2-6.4-178.3-60.8-49.2-6800113.7E269 I273 A280 R310E269-M312 HydrophobicContact CB-CE 3.8Å; E269-M312 HydrophobicContact CB-SD 3.61Å; E269-M312 VanDerWaalsContact CD-SD 3.52Å; E269-M312 HydrophobicContact CG-CE 4.33Å; E269-M312 HydrophobicContact CG-SD 3.69Å; E269-M312 WeakPolarHBondContact OE2-CE 3.34Å; I273-M312 HydrophobicContact CD1-CB 3.73Å; I273-M312 HydrophobicContact CD1-CE 3.59Å; I273-M312 HydrophobicContact CD1-CG 4.17Å; I273-M312 HydrophobicContact CG1-CB 4.19Å; I273-M312 HydrophobicContact CG1-CE 3.96Å; I273-M312 PolarHBondContact N-O 3.21Å; A280-M312 VanDerWaalsContact CB-C 3.45Å; R310-M312 HydrophobicContact CB-SD 4.42Å; R310-M312 WeakPolarHBondContact O-CG 3.49Å; R310-M312 PolarHBondContact O-N 2.76Å; R310-M312 VanDerWaalsContact O-N 3.13Å
313W95Very high92.7Very high43 Ų4340.5 Ų40.516%0.16321%0.21CC..BIsolated β-bridgetrans-129.3148.1-170.3-6483.3000110.5A280 N281 V282 C317 L318 P342 N343A280-W313 CarbonylContact C-O 3.59Å; N281-W313 PolarHBondContact N-O 2.69Å; V282-W313 WeakPolarHBondContact CB-O 3.31Å; V282-W313 WeakPolarHBondContact CG2-O 3.2Å; V282-W313 PolarHBondContact N-O 3.25Å; W313-C317 HydrophobicContact CE3-CB 3.63Å; W313-C317 HydrophobicContact CZ3-CB 4.07Å; W313-L318 HydrophobicContact CB-CB 4.39Å; W313-P342 HydrophobicContact CD2-CG 4.42Å; W313-P342 HydrophobicContact CH2-CB 4.37Å; W313-P342 HydrophobicContact CZ2-CB 3.5Å; W313-P342 VanDerWaalsContact CZ2-CB 3.5Å; W313-P342 HydrophobicContact CZ2-CG 4.02Å; W313-N343 PolarHBondContact NE1-OD1 3.42Å
314C94.9Very high93Very high4 Ų440 Ų403%0.02721%0.209CC..  trans-86.8162.9164.473.70000110.3C272 N278 E279 S316 C317 L318C272-C314 HydrophobicContact CB-CB 3.84Å; C272-C314 PolarHBondContact SG-N 3.46Å; N278-C314 HydrophobicContact CB-CB 3.64Å; E279-C314 WeakPolarHBondContact O-CB 3.02Å; C314-S316 VanDerWaalsContact C-N 3.34Å; C314-S316 PolarHBondContact O-N 2.83Å; C314-S316 PolarHBondContact SG-OG 3.03Å; C314-C317 PolarHBondContact O-N 2.7Å; C314-L318 PolarHBondContact O-N 3.08Å
315L93.9Very high93Very high17 Ų1745.9 Ų45.99%0.08923%0.23CC..Hα-helixtrans-61.2-38.5-173.1-168.164.9000113.8F250 Q251 V254 L255 V282 G319 V353 L355F250-L315 HydrophobicContact CD1-CD1 4.44Å; F250-L315 HydrophobicContact CE1-CD1 3.86Å; F250-L315 HydrophobicContact CE1-CG 4.48Å; Q251-L315 HydrophobicContact CB-CD2 4.01Å; Q251-L315 HydrophobicContact CG-CD2 3.81Å; Q251-L315 HydrophobicContact CG-CG 3.88Å; V254-L315 HydrophobicContact CB-CD1 4Å; V254-L315 HydrophobicContact CB-CD2 4.48Å; V254-L315 HydrophobicContact CG1-CD1 3.65Å; V254-L315 HydrophobicContact CG1-CD2 4.45Å; V254-L315 HydrophobicContact CG2-CD1 4.26Å; L255-L315 HydrophobicContact CG-CD2 4.25Å; V282-L315 HydrophobicContact CG2-CB 3.94Å; V282-L315 HydrophobicContact CG2-CD1 4.14Å; V282-L315 VanDerWaalsContact CG2-N 3.32Å; L315-G319 PolarHBondContact O-N 3.12Å; L315-V353 HydrophobicContact CD1-CG1 4.1Å; L315-L355 HydrophobicContact CD1-CD2 4.35Å; L315-L355 HydrophobicContact CD2-CD1 4.23Å; L315-L355 HydrophobicContact CD2-CD2 4.44Å
316S92.3Very high92.9Very high25 Ų2544.5 Ų44.518%0.17522%0.218CC..Hα-helixtrans-66.5-44.1177.652.20000112.4C314 G319 R320C314-S316 VanDerWaalsContact C-N 3.34Å; C314-S316 PolarHBondContact O-N 2.83Å; C314-S316 PolarHBondContact SG-OG 3.03Å; S316-G319 PolarHBondContact O-N 2.82Å; S316-R320 PolarHBondContact O-N 3.17Å
317C93.9Very high92.5Very high11 Ų1144.5 Ų44.57%0.07421%0.211CC..Hα-helixtrans-69-37.4179.7-67.90000112.1W313 C314 R320 W321W313-C317 HydrophobicContact CE3-CB 3.63Å; W313-C317 HydrophobicContact CZ3-CB 4.07Å; C314-C317 PolarHBondContact O-N 2.7Å; C317-R320 PolarHBondContact O-N 3.27Å; C317-W321 PolarHBondContact O-N 3.35Å
318L95Very high92Very high2 Ų248.9 Ų48.91%0.0124%0.239CC..Hα-helixtrans-65.8-40.1173.4-171.267.8000111.3V282 I284 W313 C314 R320 W321 F322 P342 F348 V353V282-L318 HydrophobicContact CB-CD2 4.41Å; V282-L318 HydrophobicContact CG1-CD2 3.47Å; V282-L318 VanDerWaalsContact CG1-CD2 3.47Å; I284-L318 HydrophobicContact CD1-CD1 4.27Å; I284-L318 HydrophobicContact CG1-CD2 4.32Å; W313-L318 HydrophobicContact CB-CB 4.39Å; C314-L318 PolarHBondContact O-N 3.08Å; L318-R320 PolarHBondContact O-N 3.23Å; L318-W321 WeakPolarHBondContact O-CB 3.46Å; L318-W321 PolarHBondContact O-N 3.3Å; L318-F322 WeakPolarHBondContact O-CB 3.19Å; L318-F322 PolarHBondContact O-N 3.31Å; L318-P342 HydrophobicContact CD1-CG 4.05Å; L318-F348 HydrophobicContact CD1-CZ 3.95Å; L318-F348 HydrophobicContact CD2-CE2 4.42Å; L318-F348 HydrophobicContact CG-CZ 4.36Å; L318-V353 HydrophobicContact CD2-CG1 3.79Å; L318-V353 HydrophobicContact CD2-CG2 4.14Å
319G94Very high91.4Very high0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-59.9-43.4174.500000112.8L315 S316 F322 A323L315-G319 PolarHBondContact O-N 3.12Å; S316-G319 PolarHBondContact O-N 2.82Å; G319-F322 WeakPolarHBondContact O-CB 3.4Å; G319-F322 PolarHBondContact O-N 3.21Å; G319-A323 WeakPolarHBondContact O-CB 3.35Å; G319-A323 PolarHBondContact O-N 3.03Å
320R92Very high90.9Very high119 Ų11950.7 Ų50.745%0.44925%0.249SC..Hα-helixtrans-60.7-45.8173-75.5177.1-174.2-175.3-1.3112.3I247 S316 C317 L318 F322 A323 S324I247-R320 HydrophobicContact CD1-CG 3.37Å; I247-R320 HydrophobicContact CG1-CG 4.13Å; S316-R320 PolarHBondContact O-N 3.17Å; C317-R320 PolarHBondContact O-N 3.27Å; L318-R320 PolarHBondContact O-N 3.23Å; R320-F322 VanDerWaalsContact C-N 3.29Å; R320-F322 PolarHBondContact O-N 3.21Å; R320-A323 PolarHBondContact O-N 3.38Å; R320-S324 PolarHBondContact O-N 3.1Å
321W94.2Very high90.4Very high65 Ų6547 Ų4725%0.24624%0.243CC..Hα-helixtrans-58.3-45.8175.7177.9-93.7000111.2C317 L318 S324 R325 P340 P342C317-W321 PolarHBondContact O-N 3.35Å; L318-W321 WeakPolarHBondContact O-CB 3.46Å; L318-W321 PolarHBondContact O-N 3.3Å; W321-S324 PolarHBondContact O-N 3.04Å; W321-S324 PolarHBondContact O-OG 2.82Å; W321-R325 WeakPolarHBondContact O-CG 3.42Å; W321-P340 PolarHBondContact NE1-O 2.72Å; W321-P342 HydrophobicContact CB-CG 4.49Å; W321-P342 HydrophobicContact CD2-CB 4.14Å; W321-P342 HydrophobicContact CD2-CG 3.9Å; W321-P342 HydrophobicContact CG-CG 3.77Å; W321-P342 HydrophobicContact CZ2-CB 4.15Å
322F94.6Very high89.8Confident0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-59.1-50.3178-165-73.3000111.5F246 F250 L318 G319 R320 S324 R325 Q326 W334 G337 F348 V350F246-F322 HydrophobicContact CE1-CB 4.29Å; F246-F322 AromaticContact CE1-CD1 3.94Å; F246-F322 HydrophobicContact CE1-CD1 3.94Å; F246-F322 HydrophobicContact CE1-CG 4.48Å; F246-F322 HydrophobicContact CE2-CD1 4.36Å; F246-F322 HydrophobicContact CZ-CB 4.48Å; F246-F322 AromaticContact CZ-CD1 3.39Å; F246-F322 HydrophobicContact CZ-CD1 3.39Å; F246-F322 AromaticContact CZ-CE1 3.91Å; F246-F322 HydrophobicContact CZ-CE1 3.91Å; F246-F322 HydrophobicContact CZ-CG 4.19Å; F250-F322 HydrophobicContact CE2-CB 4.37Å; F250-F322 HydrophobicContact CE2-CD2 4.17Å; F250-F322 HydrophobicContact CE2-CG 4.19Å; L318-F322 WeakPolarHBondContact O-CB 3.19Å; L318-F322 PolarHBondContact O-N 3.31Å; G319-F322 WeakPolarHBondContact O-CB 3.4Å; G319-F322 PolarHBondContact O-N 3.21Å; R320-F322 VanDerWaalsContact C-N 3.29Å; R320-F322 PolarHBondContact O-N 3.21Å; F322-S324 VanDerWaalsContact C-N 3.32Å; F322-S324 PolarHBondContact O-N 3.37Å; F322-R325 PolarHBondContact O-N 3.28Å; F322-R325 VanDerWaalsContact O-N 3.17Å; F322-Q326 HydrophobicContact CD1-CG 4.13Å; F322-Q326 HydrophobicContact CE1-CG 4.13Å; F322-Q326 VanDerWaalsContact CE1-NE2 3.32Å; F322-Q326 WeakPolarHBondContact O-CG 2.94Å; F322-Q326 PolarHBondContact O-NE2 3.3Å; F322-Q326 VanDerWaalsContact O-NE2 3.1Å; F322-W334 VanDerWaalsContact CE1-O 3.26Å; F322-W334 WeakPolarHBondContact CE1-O 3.37Å; F322-G337 WeakPolarHBondContact CZ-O 3.38Å; F322-F348 AromaticContact CD2-CE2 3.68Å; F322-F348 HydrophobicContact CD2-CE2 3.68Å; F322-F348 AromaticContact CD2-CZ 3.84Å; F322-F348 HydrophobicContact CD2-CZ 3.84Å; F322-F348 HydrophobicContact CE2-CD2 4.46Å; F322-F348 HydrophobicContact CE2-CE2 4.04Å; F322-F348 HydrophobicContact CE2-CZ 4.48Å; F322-V350 HydrophobicContact CE1-CG2 4.24Å; F322-V350 HydrophobicContact CE2-CG2 4.15Å; F322-V350 HydrophobicContact CZ-CG2 3.8Å
323A91.6Very high89.4Confident4 Ų454.7 Ų54.73%0.03330%0.298CS..Hα-helixtrans-55.9-44177.700000112.4E243 F246 G319 R320 R325 Q326 W334E243-A323 HydrophobicContact CG-CB 3.95Å; F246-A323 HydrophobicContact CD1-CB 3.64Å; F246-A323 HydrophobicContact CE1-CB 3.9Å; G319-A323 WeakPolarHBondContact O-CB 3.35Å; G319-A323 PolarHBondContact O-N 3.03Å; R320-A323 PolarHBondContact O-N 3.38Å; A323-R325 PolarHBondContact O-N 3.3Å; A323-Q326 PolarHBondContact O-N 3.35Å; A323-W334 HydrophobicContact CB-CE3 4.06Å; A323-W334 HydrophobicContact CB-CZ3 3.69Å
324S90.6Very high89.1Confident73 Ų7353.7 Ų53.751%0.5130%0.295SS..Hα-helixtrans-61-17.5-178.879.30000114.7R320 W321 F322R320-S324 PolarHBondContact O-N 3.1Å; W321-S324 PolarHBondContact O-N 3.04Å; W321-S324 PolarHBondContact O-OG 2.82Å; F322-S324 VanDerWaalsContact C-N 3.32Å; F322-S324 PolarHBondContact O-N 3.37Å
325R90.5Very high88.7Confident133 Ų13356 Ų5650%0.50231%0.306SS..THydrogen-bonded Turntrans-100.4-2.3-178.9-57.5-58.1-179.9-178.9-4.4113.1W321 F322 A323W321-R325 WeakPolarHBondContact O-CG 3.42Å; F322-R325 PolarHBondContact O-N 3.28Å; F322-R325 VanDerWaalsContact O-N 3.17Å; A323-R325 PolarHBondContact O-N 3.3Å
326Q88.6Confident88.3Confident20 Ų2059.2 Ų59.29%0.09332%0.322CS..SBendtrans-89.3160.6179.1-54.2-45.5-50.600111.8F322 A323 P328 W334 K338F322-Q326 HydrophobicContact CD1-CG 4.13Å; F322-Q326 HydrophobicContact CE1-CG 4.13Å; F322-Q326 VanDerWaalsContact CE1-NE2 3.32Å; F322-Q326 WeakPolarHBondContact O-CG 2.94Å; F322-Q326 PolarHBondContact O-NE2 3.3Å; F322-Q326 VanDerWaalsContact O-NE2 3.1Å; A323-Q326 PolarHBondContact O-N 3.35Å; Q326-P328 VanDerWaalsContact O-CD 3.32Å; Q326-P328 WeakPolarHBondContact O-CD 3.21Å; Q326-W334 HydrophobicContact CB-CB 4.31Å; Q326-W334 HydrophobicContact CB-CD2 3.71Å; Q326-W334 HydrophobicContact CB-CE3 4.5Å; Q326-W334 HydrophobicContact CB-CG 3.57Å; Q326-W334 HydrophobicContact CB-CZ2 4.47Å; Q326-W334 HydrophobicContact CG-CB 3.99Å; Q326-W334 HydrophobicContact CG-CD2 4.07Å; Q326-W334 HydrophobicContact CG-CG 3.77Å; Q326-K338 PolarHBondContact NE2-O 3.11Å
327N83.7Confident88.1Confident89 Ų8958.3 Ų58.348%0.47632%0.317SS..  trans-70.8116.3176.8-175.7-10.9000110N329 V330 W334N327-N329 PolarHBondContact O-N 3.15Å; N327-N329 VanDerWaalsContact O-N 3.11Å; N327-N329 WeakPolarHBondContact OD1-CB 3.47Å; N327-N329 PolarHBondContact OD1-N 2.89Å; N327-V330 PolarHBondContact O-N 3.48Å; N327-W334 PolarHBondContact O-NE1 2.89Å
328P82.5Confident88Confident100 Ų10059.7 Ų59.765%0.64932%0.322SS*.THydrogen-bonded Turntrans-63.7-19.4-177.826.3-34.8000113.7Q326Q326-P328 VanDerWaalsContact O-CD 3.32Å; Q326-P328 WeakPolarHBondContact O-CD 3.21Å
329N79.9Confident87.9Confident140 Ų14059.6 Ų59.675%0.74932%0.321SS*.THydrogen-bonded Turntrans-81.6-15.7-178.5-61-39.1000113.5N327N327-N329 PolarHBondContact O-N 3.15Å; N327-N329 VanDerWaalsContact O-N 3.11Å; N327-N329 WeakPolarHBondContact OD1-CB 3.47Å; N327-N329 PolarHBondContact OD1-N 2.89Å
330V83.5Confident87.9Confident53 Ų5361.8 Ų61.832%0.32134%0.335SS..  trans-133.370.8-174.8-162.90000111.3N327 G332 E333 W334N327-V330 PolarHBondContact O-N 3.48Å; V330-G332 VanDerWaalsContact C-N 3.27Å; V330-G332 PolarHBondContact O-N 2.77Å; V330-E333 HydrophobicContact CG1-CB 4.19Å; V330-E333 HydrophobicContact CG1-CG 3.8Å; V330-E333 PolarHBondContact O-N 2.87Å; V330-W334 VanDerWaalsContact O-CD1 3.23Å
331P80.9Confident88.1Confident63 Ų6356.2 Ų56.241%0.40932%0.315SS..G310 helixtrans-67.9-21.4-175.327.3-35.4000115.6V242 E333 W334V242-P331 HydrophobicContact CG1-CB 3.29Å; V242-P331 HydrophobicContact CG1-CG 4.11Å; P331-E333 PolarHBondContact O-N 2.95Å; P331-W334 VanDerWaalsContact CA-CD1 3.49Å; P331-W334 PolarHBondContact O-N 3.03Å
332G81Confident88.1Confident73 Ų7354.5 Ų54.575%0.75331%0.312SS*.G310 helixtrans-65-23.2176.900000113.6V330V330-G332 VanDerWaalsContact C-N 3.27Å; V330-G332 PolarHBondContact O-N 2.77Å
333E84.3Confident88Confident115 Ų11558 Ų5854%0.53733%0.331SS..G310 helixtrans-96.8-1-177.1-68.1175.4-172.500113.1V330 P331 M335 L336 G337V330-E333 HydrophobicContact CG1-CB 4.19Å; V330-E333 HydrophobicContact CG1-CG 3.8Å; V330-E333 PolarHBondContact O-N 2.87Å; P331-E333 PolarHBondContact O-N 2.95Å; E333-M335 VanDerWaalsContact C-N 3.26Å; E333-M335 PolarHBondContact O-N 3.03Å; E333-L336 WeakPolarHBondContact O-CA 3.1Å; E333-L336 WeakPolarHBondContact O-CB 3.48Å; E333-L336 PolarHBondContact O-N 2.85Å; E333-G337 PolarHBondContact O-N 3.14Å; E333-G337 VanDerWaalsContact O-N 3.11Å
334W89.2Confident88.1Confident22 Ų2260.8 Ų60.88%0.08335%0.349CS..G310 helixtrans-60.4-35.6-174.6-74.716.1000112.7V242 F246 F322 A323 Q326 N327 V330 P331 L336 G337V242-W334 HydrophobicContact CG1-CH2 3.87Å; V242-W334 HydrophobicContact CG1-CZ2 4.11Å; V242-W334 HydrophobicContact CG1-CZ3 4.18Å; F246-W334 HydrophobicContact CB-CE3 3.61Å; F246-W334 HydrophobicContact CB-CZ3 3.93Å; F246-W334 HydrophobicContact CD1-CE3 4.03Å; F246-W334 HydrophobicContact CD1-CZ3 4.48Å; F246-W334 HydrophobicContact CD2-CB 3.5Å; F246-W334 HydrophobicContact CD2-CD2 4.39Å; F246-W334 AromaticContact CD2-CE3 3.76Å; F246-W334 HydrophobicContact CD2-CE3 3.76Å; F246-W334 HydrophobicContact CD2-CG 4.37Å; F246-W334 HydrophobicContact CE2-CB 3.53Å; F246-W334 HydrophobicContact CE2-CE3 4.45Å; F246-W334 HydrophobicContact CG-CB 4.43Å; F246-W334 AromaticContact CG-CE3 3.5Å; F246-W334 HydrophobicContact CG-CE3 3.5Å; F246-W334 HydrophobicContact CG-CZ3 4.16Å; F246-W334 HydrophobicContact CZ-CB 4.48Å; F322-W334 VanDerWaalsContact CE1-O 3.26Å; F322-W334 WeakPolarHBondContact CE1-O 3.37Å; A323-W334 HydrophobicContact CB-CE3 4.06Å; A323-W334 HydrophobicContact CB-CZ3 3.69Å; Q326-W334 HydrophobicContact CB-CB 4.31Å; Q326-W334 HydrophobicContact CB-CD2 3.71Å; Q326-W334 HydrophobicContact CB-CE3 4.5Å; Q326-W334 HydrophobicContact CB-CG 3.57Å; Q326-W334 HydrophobicContact CB-CZ2 4.47Å; Q326-W334 HydrophobicContact CG-CB 3.99Å; Q326-W334 HydrophobicContact CG-CD2 4.07Å; Q326-W334 HydrophobicContact CG-CG 3.77Å; N327-W334 PolarHBondContact O-NE1 2.89Å; V330-W334 VanDerWaalsContact O-CD1 3.23Å; P331-W334 VanDerWaalsContact CA-CD1 3.49Å; P331-W334 PolarHBondContact O-N 3.03Å; W334-L336 PolarHBondContact O-N 3.35Å; W334-G337 PolarHBondContact O-N 3.11Å
335M86.8Confident88.2Confident53 Ų5367.1 Ų67.126%0.26136%0.362SS..G310 helixtrans-68.6-22.9176.9-68-65.7-72.400113.2F246 F250 Y253 E333 V350F246-M335 HydrophobicContact CD2-CG 4.4Å; F246-M335 HydrophobicContact CD2-SD 4.05Å; F246-M335 HydrophobicContact CE2-CG 4.09Å; F246-M335 HydrophobicContact CE2-SD 3.53Å; F246-M335 VanDerWaalsContact CE2-SD 3.53Å; F246-M335 HydrophobicContact CZ-SD 4.25Å; F250-M335 HydrophobicContact CB-SD 4.33Å; Y253-M335 HydrophobicContact CD1-CE 4.37Å; Y253-M335 HydrophobicContact CD2-CE 4.25Å; Y253-M335 HydrophobicContact CG-CE 3.85Å; E333-M335 VanDerWaalsContact C-N 3.26Å; E333-M335 PolarHBondContact O-N 3.03Å; M335-V350 HydrophobicContact CE-CG1 4Å; M335-V350 HydrophobicContact CE-CG2 4.45Å; M335-V350 WeakPolarHBondContact O-CG2 3.49Å; M335-V350 HydrophobicContact SD-CG2 4.39Å
336L86.1Confident88.3Confident83 Ų8361.4 Ų61.444%0.43534%0.343SS..G310 helixtrans-91.2-13.2179-59.5172.5000112.6F293 L296 E333 W334F293-L336 HydrophobicContact CD1-CD2 4.03Å; F293-L336 HydrophobicContact CE1-CD2 3.93Å; L296-L336 HydrophobicContact CD1-CD1 3.69Å; E333-L336 WeakPolarHBondContact O-CA 3.1Å; E333-L336 WeakPolarHBondContact O-CB 3.48Å; E333-L336 PolarHBondContact O-N 2.85Å; W334-L336 PolarHBondContact O-N 3.35Å
337G88Confident88.6Confident6 Ų661.4 Ų61.46%0.06234%0.344CS..  trans-69.5178.2-179.900000113.7F322 E333 W334F322-G337 WeakPolarHBondContact CZ-O 3.38Å; E333-G337 PolarHBondContact O-N 3.14Å; E333-G337 VanDerWaalsContact O-N 3.11Å; W334-G337 PolarHBondContact O-N 3.11Å
338K91.3Very high89.1Confident40 Ų4057.2 Ų57.217%0.17432%0.322CS..  trans-123.2158.5173.4-61.9179.3-173.8168.40110Q301 L302 Q326 T347 F348 C349Q301-K338 HydrophobicContact CB-CD 4.27Å; L302-K338 VanDerWaalsContact O-CD 3.3Å; L302-K338 WeakPolarHBondContact O-CD 3.5Å; L302-K338 PolarHBondContact O-NZ 2.75Å; L302-K338 VanDerWaalsContact O-NZ 3.13Å; Q326-K338 PolarHBondContact NE2-O 3.11Å; K338-T347 HydrophobicContact CB-CG2 3.78Å; K338-T347 HydrophobicContact CD-CG2 3.92Å; K338-T347 HydrophobicContact CG-CG2 4.38Å; K338-F348 WeakPolarHBondContact CA-O 3.48Å; K338-C349 HydrophobicContact CG-CB 4.38Å
339S92.9Very high89.6Confident1 Ų152.4 Ų52.41%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-139.9146.1175.6-172.20000110.4F348S339-F348 PolarHBondContact N-O 3.41Å; S339-F348 WeakPolarHBondContact O-CD1 3.36Å; S339-F348 WeakPolarHBondContact O-CE1 3.26Å; S339-F348 PolarHBondContact O-N 2.94Å
340P94.5Very high90.2Very high45 Ų4545.9 Ų45.929%0.29226%0.256SS..EExtended strand (participates in β ladder)trans-74.7139.5169.830-34.3000110.6W321 R345W321-P340 PolarHBondContact NE1-O 2.72Å; P340-R345 HydrophobicContact CB-CB 4.27Å
341C95.1Very high90.6Very high3 Ų345 Ų452%0.0225%0.249CC..  trans-52.9130.9172.1174.60000110I284 N343 R345 A346 F348I284-C341 HydrophobicContact CD1-CB 4.07Å; C341-N343 PolarHBondContact O-N 3.21Å; C341-N343 VanDerWaalsContact O-N 3.08Å; C341-N343 PolarHBondContact SG-N 3.05Å; C341-R345 WeakPolarHBondContact O-CA 3.43Å; C341-R345 PolarHBondContact O-N 3.11Å; C341-A346 HydrophobicContact CB-CB 4.38Å; C341-A346 WeakPolarHBondContact CB-O 3.34Å; C341-A346 PolarHBondContact N-O 3.32Å; C341-F348 HydrophobicContact CB-CD1 4.42Å
342P93.9Very high91.3Very high29 Ų2942 Ų4219%0.18823%0.23CC..THydrogen-bonded Turntrans-57-27.2179.3-18.925000113.7W313 L318 W321W313-P342 HydrophobicContact CD2-CG 4.42Å; W313-P342 HydrophobicContact CH2-CB 4.37Å; W313-P342 HydrophobicContact CZ2-CB 3.5Å; W313-P342 VanDerWaalsContact CZ2-CB 3.5Å; W313-P342 HydrophobicContact CZ2-CG 4.02Å; L318-P342 HydrophobicContact CD1-CG 4.05Å; W321-P342 HydrophobicContact CB-CG 4.49Å; W321-P342 HydrophobicContact CD2-CB 4.14Å; W321-P342 HydrophobicContact CD2-CG 3.9Å; W321-P342 HydrophobicContact CG-CG 3.77Å; W321-P342 HydrophobicContact CZ2-CB 4.15Å
343N92.4Very high92Very high74 Ų7438.5 Ų38.540%0.39619%0.194SC..THydrogen-bonded Turntrans-94.3-60.3-174.2-66.755000112C309 W313 C341C309-N343 HydrophobicContact CB-CB 4.21Å; C309-N343 VanDerWaalsContact SG-CB 3.56Å; W313-N343 PolarHBondContact NE1-OD1 3.42Å; C341-N343 PolarHBondContact O-N 3.21Å; C341-N343 VanDerWaalsContact O-N 3.08Å; C341-N343 PolarHBondContact SG-N 3.05Å
344C94.1Very high92.5Very high62 Ų6233 Ų3342%0.41917%0.168SC..THydrogen-bonded Turntrans-103.9-1.9-176.267.10000115C309 A346C309-C344 WeakPolarHBondContact SG-CB 3.47Å; C309-C344 PolarHBondContact SG-SG 2.77Å; C344-A346 PolarHBondContact O-N 3.31Å; C344-A346 VanDerWaalsContact O-N 3.15Å; C344-A346 WeakPolarHBondContact SG-CB 3.26Å
345R93.3Very high92.7Very high206 Ų20632.4 Ų32.478%0.77717%0.166SC*.  trans62.110.5-175.7-51.7-179.6179.5-176.4-0.3116P340 C341 T347P340-R345 HydrophobicContact CB-CB 4.27Å; C341-R345 WeakPolarHBondContact O-CA 3.43Å; C341-R345 PolarHBondContact O-N 3.11Å; R345-T347 PolarHBondContact O-N 2.79Å
346A93.1Very high93Very high12 Ų1231.5 Ų31.510%0.09917%0.165CC..  trans-56.1128.3168.400000110S305 C307 C341 C344S305-A346 WeakPolarHBondContact OG-CB 3.44Å; C307-A346 HydrophobicContact CB-CB 4.11Å; C341-A346 HydrophobicContact CB-CB 4.38Å; C341-A346 WeakPolarHBondContact CB-O 3.34Å; C341-A346 PolarHBondContact N-O 3.32Å; C344-A346 PolarHBondContact O-N 3.31Å; C344-A346 VanDerWaalsContact O-N 3.15Å; C344-A346 WeakPolarHBondContact SG-CB 3.26Å
347T93.5Very high93.1Very high20 Ų2033.2 Ų33.212%0.12319%0.191CC..EExtended strand (participates in β ladder)trans-71132.7-178.7-50.70000109.5L302 C304 S305 K338 R345L302-T347 WeakPolarHBondContact O-CG2 3.16Å; C304-T347 CarbonylContact C-O 3.5Å; C304-T347 VanDerWaalsContact CA-O 3.26Å; C304-T347 WeakPolarHBondContact CA-O 3.18Å; S305-T347 PolarHBondContact N-O 3.32Å; S305-T347 PolarHBondContact OG-N 2.82Å; K338-T347 HydrophobicContact CB-CG2 3.78Å; K338-T347 HydrophobicContact CD-CG2 3.92Å; K338-T347 HydrophobicContact CG-CG2 4.38Å; R345-T347 PolarHBondContact O-N 2.79Å
348F94.3Very high93.4Very high1 Ų134.6 Ų34.60%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-139.4155.4178.976-82.7000111I284 L318 F322 K338 S339 C341 D352 V353I284-F348 HydrophobicContact CD1-CD1 3.87Å; I284-F348 HydrophobicContact CD1-CD2 4.34Å; I284-F348 HydrophobicContact CD1-CE1 3.81Å; I284-F348 HydrophobicContact CD1-CE2 4.27Å; I284-F348 HydrophobicContact CD1-CG 4.17Å; I284-F348 HydrophobicContact CD1-CZ 4.02Å; I284-F348 HydrophobicContact CG1-CD2 4.38Å; I284-F348 HydrophobicContact CG1-CE2 4.49Å; I284-F348 HydrophobicContact CG1-CG 4.48Å; I284-F348 HydrophobicContact CG2-CB 3.54Å; I284-F348 HydrophobicContact CG2-CD1 4.31Å; I284-F348 HydrophobicContact CG2-CD2 4.12Å; I284-F348 HydrophobicContact CG2-CG 3.75Å; L318-F348 HydrophobicContact CD1-CZ 3.95Å; L318-F348 HydrophobicContact CD2-CE2 4.42Å; L318-F348 HydrophobicContact CG-CZ 4.36Å; F322-F348 AromaticContact CD2-CE2 3.68Å; F322-F348 HydrophobicContact CD2-CE2 3.68Å; F322-F348 AromaticContact CD2-CZ 3.84Å; F322-F348 HydrophobicContact CD2-CZ 3.84Å; F322-F348 HydrophobicContact CE2-CD2 4.46Å; F322-F348 HydrophobicContact CE2-CE2 4.04Å; F322-F348 HydrophobicContact CE2-CZ 4.48Å; K338-F348 WeakPolarHBondContact CA-O 3.48Å; S339-F348 PolarHBondContact N-O 3.41Å; S339-F348 WeakPolarHBondContact O-CD1 3.36Å; S339-F348 WeakPolarHBondContact O-CE1 3.26Å; S339-F348 PolarHBondContact O-N 2.94Å; C341-F348 HydrophobicContact CB-CD1 4.42Å; F348-D352 WeakPolarHBondContact CA-OD2 3.48Å; F348-D352 HydrophobicContact CB-CB 4.01Å; F348-V353 HydrophobicContact CD2-CG2 3.96Å; F348-V353 HydrophobicContact CE2-CG2 3.78Å
349C93.2Very high93.5Very high0 Ų034.3 Ų34.30%020%0.198CC..  trans-111.4177.7171.669.80000110.7F293 K338 L351 D352F293-C349 HydrophobicContact CE2-CB 4Å; F293-C349 VanDerWaalsContact CE2-SG 3.57Å; F293-C349 HydrophobicContact CZ-CB 4.03Å; K338-C349 HydrophobicContact CG-CB 4.38Å; C349-L351 PolarHBondContact O-N 2.88Å; C349-D352 PolarHBondContact N-OD2 3.15Å; C349-D352 PolarHBondContact O-N 2.97Å; C349-D352 VanDerWaalsContact O-N 3.12Å
350V93.2Very high93.5Very high3 Ų336.1 Ų36.12%0.01821%0.209CC..G310 helixtrans-57.6-34.2-179.3-179.90000112.2F250 Y253 V254 N258 F322 M335 D352 V353F250-V350 HydrophobicContact CD2-CG1 4.05Å; F250-V350 HydrophobicContact CD2-CG2 3.93Å; F250-V350 HydrophobicContact CE2-CB 4.42Å; F250-V350 HydrophobicContact CE2-CG1 4.12Å; F250-V350 HydrophobicContact CE2-CG2 3.97Å; Y253-V350 HydrophobicContact CD1-CG1 3.59Å; Y253-V350 HydrophobicContact CE1-CG1 4.04Å; Y253-V350 HydrophobicContact CG-CG1 4.41Å; V254-V350 HydrophobicContact CG2-CG1 4.18Å; N258-V350 PolarHBondContact ND2-O 3.43Å; F322-V350 HydrophobicContact CE1-CG2 4.24Å; F322-V350 HydrophobicContact CE2-CG2 4.15Å; F322-V350 HydrophobicContact CZ-CG2 3.8Å; M335-V350 HydrophobicContact CE-CG1 4Å; M335-V350 HydrophobicContact CE-CG2 4.45Å; M335-V350 WeakPolarHBondContact O-CG2 3.49Å; M335-V350 HydrophobicContact SD-CG2 4.39Å; V350-D352 PolarHBondContact O-N 3.13Å; V350-V353 WeakPolarHBondContact O-CB 3.49Å; V350-V353 WeakPolarHBondContact O-CG2 3.3Å; V350-V353 PolarHBondContact O-N 3.49Å
351L92.7Very high93.5Very high33 Ų3335.6 Ų35.617%0.17320%0.204CC..G310 helixtrans-63.5-30.6-179.9-57.5178.3000112.9Y253 T287 C288 F293 C349 V353Y253-L351 HydrophobicContact CE1-CD2 3.86Å; Y253-L351 WeakPolarHBondContact OH-CD2 3.39Å; T287-L351 VanDerWaalsContact OG1-C 3.24Å; T287-L351 PolarHBondContact OG1-O 3.13Å; C288-L351 HydrophobicContact CB-CB 4.13Å; C288-L351 HydrophobicContact CB-CD1 3.88Å; F293-L351 HydrophobicContact CE2-CD1 3.64Å; F293-L351 HydrophobicContact CE2-CG 4.21Å; F293-L351 HydrophobicContact CZ-CD1 3.92Å; F293-L351 HydrophobicContact CZ-CG 4.1Å; C349-L351 PolarHBondContact O-N 2.88Å; L351-V353 PolarHBondContact O-N 2.83Å
352D93.8Very high93.4Very high0 Ų037.6 Ų37.60%022%0.215CC..G310 helixtrans-76.3-3.2-176.3-62.5-34.2000113I284 M285 K286 T287 C288 F348 C349 V350I284-D352 CarbonylContact C-O 3.44Å; I284-D352 WeakPolarHBondContact CA-O 3.19Å; I284-D352 HydrophobicContact CG2-CB 4.29Å; M285-D352 PolarHBondContact N-O 2.89Å; M285-D352 CarbonylContact O-C 3.58Å; M285-D352 WeakPolarHBondContact O-CA 3.32Å; M285-D352 WeakPolarHBondContact O-CB 3.41Å; K286-D352 WeakPolarHBondContact CA-OD1 3.32Å; T287-D352 PolarHBondContact N-OD1 3.13Å; T287-D352 WeakPolarHBondContact OG1-CA 3.47Å; C288-D352 PolarHBondContact N-OD1 3.03Å; C288-D352 VanDerWaalsContact N-OD1 3.11Å; C288-D352 PolarHBondContact SG-OD1 3.43Å; C288-D352 VanDerWaalsContact SG-OD1 3.35Å; F348-D352 WeakPolarHBondContact CA-OD2 3.48Å; F348-D352 HydrophobicContact CB-CB 4.01Å; C349-D352 PolarHBondContact N-OD2 3.15Å; C349-D352 PolarHBondContact O-N 2.97Å; C349-D352 VanDerWaalsContact O-N 3.12Å; V350-D352 PolarHBondContact O-N 3.13Å
353V95.7Very high93.3Very high0 Ų038.2 Ų38.20%022%0.217CC..EExtended strand (participates in β ladder)trans-89.9113.2-175.4-175.20000110.1F250 V254 N258 V282 L315 L318 F348 V350 L351F250-V353 HydrophobicContact CE2-CG2 4.35Å; F250-V353 HydrophobicContact CZ-CG1 4.27Å; F250-V353 HydrophobicContact CZ-CG2 3.93Å; V254-V353 HydrophobicContact CG1-CB 4.33Å; V254-V353 HydrophobicContact CG1-CG1 3.89Å; V254-V353 HydrophobicContact CG2-CB 4.01Å; V254-V353 HydrophobicContact CG2-CG1 4.05Å; N258-V353 VanDerWaalsContact CB-O 3.32Å; N258-V353 WeakPolarHBondContact CB-O 3.44Å; N258-V353 PolarHBondContact ND2-O 3.49Å; V282-V353 HydrophobicContact CG1-CG1 3.47Å; V282-V353 VanDerWaalsContact CG1-CG1 3.47Å; L315-V353 HydrophobicContact CD1-CG1 4.1Å; L318-V353 HydrophobicContact CD2-CG1 3.79Å; L318-V353 HydrophobicContact CD2-CG2 4.14Å; F348-V353 HydrophobicContact CD2-CG2 3.96Å; F348-V353 HydrophobicContact CE2-CG2 3.78Å; V350-V353 WeakPolarHBondContact O-CB 3.49Å; V350-V353 WeakPolarHBondContact O-CG2 3.3Å; V350-V353 PolarHBondContact O-N 3.49Å; L351-V353 PolarHBondContact O-N 2.83Å
354C95.1Very high93.4Very high0 Ų035.6 Ų35.60%021%0.205CC..EExtended strand (participates in β ladder)trans-114.2138.1-175.4-57.30000111.2P259 Y261 K283 M285P259-C354 WeakPolarHBondContact O-CB 3.46Å; Y261-C354 HydrophobicContact CD1-CB 3.91Å; Y261-C354 WeakPolarHBondContact CD1-O 3.16Å; Y261-C354 WeakPolarHBondContact CE1-O 3.47Å; K283-C354 PolarHBondContact N-O 3.06Å; K283-C354 PolarHBondContact O-N 3.42Å; M285-C354 HydrophobicContact CE-CB 3.9Å; M285-C354 VanDerWaalsContact CE-SG 3.55Å
355L94.4Very high93.3Very high9 Ų933.6 Ų33.65%0.04719%0.188CC..EExtended strand (participates in β ladder)trans-99.2160.8171.4-71.8174000110.6V254 L255 R260 Y261 V282 L315V254-L355 HydrophobicContact CG1-CD1 4.06Å; V254-L355 HydrophobicContact CG1-CG 4Å; L255-L355 HydrophobicContact CD2-CD1 3.57Å; L255-L355 HydrophobicContact CG-CD1 4.09Å; R260-L355 CarbonylContact C-O 3.57Å; R260-L355 WeakPolarHBondContact CA-O 3.5Å; R260-L355 WeakPolarHBondContact CB-O 3.3Å; R260-L355 WeakPolarHBondContact CD-O 3.23Å; R260-L355 VanDerWaalsContact NH1-CB 3.31Å; Y261-L355 WeakPolarHBondContact CD1-O 3.19Å; Y261-L355 PolarHBondContact N-O 3.23Å; V282-L355 HydrophobicContact CG2-CD2 3.95Å; L315-L355 HydrophobicContact CD1-CD2 4.35Å; L315-L355 HydrophobicContact CD2-CD1 4.23Å; L315-L355 HydrophobicContact CD2-CD2 4.44Å
356P92.4Very high93.3Very high35 Ų3519.3 Ų19.323%0.22714%0.139CC..EExtended strand (participates in β ladder)trans-61.2145.5175.527.4-37.1000110.3R260 Y261 P263 N281R260-P356 PolarHBondContact NH1-O 2.9Å; Y261-P356 HydrophobicContact CE1-CB 4.31Å; Y261-P356 HydrophobicContact CE2-CB 4.47Å; P263-P356 HydrophobicContact CG-CB 3.79Å; N281-P356 HydrophobicContact CB-CG 4.26Å; N281-P356 WeakPolarHBondContact O-CD 3Å
357A88.8Confident93.4Very high118 Ų11819.9 Ų19.998%0.97514%0.143SC*.  trans-67.10174.700000112.6R260 Y261R260-A357 HydrophobicContact CB-CB 3.82Å; Y261-A357 PolarHBondContact O-N 3.39Å

Retrieved 357 of 357 residues in 99.8 ms (Link to these results)

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