A0A077ZBU6_TRITR Loading...

Protein phosphatase

AlphaFold DB , UniProt , Accession A0A077ZBU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 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
1M78.8Confident79.6Confident71 Ų7175.5 Ų75.535%0.3536%0.359SS..  0108.10-82.6-62.2-65.100107.1D19 G20 P31 S35 D242M1-D19 PolarHBondContact N-OD1 3.35Å; M1-G20 PolarHBondContact N-O 3.05Å; M1-G20 PolarHBondContact O-N 3.15Å; M1-P31 HydrophobicContact CB-CG 4.44Å; M1-P31 HydrophobicContact CG-CG 4.29Å; M1-S35 PolarHBondContact O-OG 3.04Å; M1-D242 WeakPolarHBondContact CA-OD2 3.48Å; M1-D242 PolarHBondContact N-OD2 2.9Å
2S76.6Confident80.4Confident23 Ų2370.8 Ų70.816%0.16134%0.337CS..EExtended strand (participates in β ladder)trans-96.4133.9-168.6-43.40000110.5A18 D19 T178 T244S2-A18 CarbonylContact C-O 3.55Å; S2-A18 WeakPolarHBondContact CA-O 3.44Å; S2-D19 PolarHBondContact N-OD1 3.23Å; S2-D19 PolarHBondContact OG-OD1 3.48Å; S2-T178 WeakPolarHBondContact OG-CG2 3.43Å; S2-T244 WeakPolarHBondContact CB-OG1 3.41Å
3V79.5Confident81.3Confident26 Ų2666.8 Ų66.816%0.15832%0.319CS..EExtended strand (participates in β ladder)trans-118.6146.5172.8-179.40000107.6V17 A18 Y36 M39V3-V17 CarbonylContact O-C 3.52Å; V3-V17 WeakPolarHBondContact O-CA 3.12Å; V3-A18 PolarHBondContact N-O 3.37Å; V3-A18 PolarHBondContact O-N 3.42Å; V3-Y36 HydrophobicContact CG1-CD2 4.11Å; V3-M39 HydrophobicContact CB-CG 4.32Å; V3-M39 HydrophobicContact CG1-CB 3.99Å; V3-M39 HydrophobicContact CG1-CG 4.1Å
4Y84.7Confident82.3Confident142 Ų14262.1 Ų62.156%0.55730%0.296SS*.EExtended strand (participates in β ladder)trans-130.2160.4173.972.5-88.4000112.6G16 T244 I246Y4-G16 CarbonylContact C-O 3.54Å; Y4-G16 WeakPolarHBondContact CA-O 3.41Å; Y4-G16 WeakPolarHBondContact CB-O 3.44Å; Y4-T244 HydrophobicContact CD1-CG2 4.24Å; Y4-I246 HydrophobicContact CD2-CD1 4.23Å; Y4-I246 HydrophobicContact CG-CD1 4.28Å
5I83.3Confident83.2Confident19 Ų1958.1 Ų58.110%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-130148.6170.259.2177.3000110.3L14 L15 G16 M39 C42I5-L14 HydrophobicContact CD1-CD2 4.28Å; I5-L15 WeakPolarHBondContact O-CA 3.36Å; I5-G16 PolarHBondContact N-O 3.07Å; I5-G16 PolarHBondContact O-N 3.34Å; I5-M39 HydrophobicContact CD1-SD 3.97Å; I5-M39 HydrophobicContact CG1-SD 3.89Å; I5-M39 HydrophobicContact CG2-CB 3.71Å; I5-M39 HydrophobicContact CG2-CG 4.36Å; I5-M39 HydrophobicContact CG2-SD 4.32Å; I5-C42 HydrophobicContact CD1-CB 3.8Å
6L80.7Confident84.1Confident90 Ų9054.4 Ų54.447%0.47126%0.26SS..EExtended strand (participates in β ladder)trans-139.2117.1174.416664.6000106.7V8 L13 L15 V261L6-V8 HydrophobicContact CD1-CG2 4.39Å; L6-L13 HydrophobicContact CD1-CD1 3.53Å; L6-L13 HydrophobicContact CD1-CG 4.5Å; L6-L15 HydrophobicContact CB-CD2 4.39Å; L6-L15 HydrophobicContact CD1-CD2 3.18Å; L6-L15 HydrophobicContact CG-CD2 4.36Å; L6-V261 HydrophobicContact CD1-CG1 3.9Å; L6-V261 HydrophobicContact CD2-CG1 4.43Å
7M80.3Confident84.9Confident31 Ų3151.2 Ų51.215%0.15325%0.245CC..EExtended strand (participates in β ladder)trans-129.2128.5176.6-57.3-179.478.900110.4F9 L14 A43 V46 A47M7-F9 HydrophobicContact CB-CD2 4.35Å; M7-F9 HydrophobicContact CB-CE2 3.73Å; M7-F9 HydrophobicContact CE-CE2 3.76Å; M7-F9 HydrophobicContact CE-CZ 3.56Å; M7-F9 HydrophobicContact SD-CE2 4.28Å; M7-L14 HydrophobicContact CB-CB 4.31Å; M7-L14 PolarHBondContact N-O 2.63Å; M7-L14 PolarHBondContact O-N 3.46Å; M7-L14 HydrophobicContact SD-CD2 4.21Å; M7-A43 HydrophobicContact CE-CB 4.38Å; M7-A43 WeakPolarHBondContact CE-O 3.39Å; M7-A43 WeakPolarHBondContact SD-CA 3.44Å; M7-A43 HydrophobicContact SD-CB 3.81Å; M7-V46 HydrophobicContact CE-CB 4.17Å; M7-V46 HydrophobicContact CE-CG1 4.15Å; M7-V46 HydrophobicContact SD-CB 3.96Å; M7-V46 HydrophobicContact SD-CG1 4.01Å; M7-A47 HydrophobicContact CE-CB 4.06Å
8V79Confident85.6Confident79 Ų7948.4 Ų48.448%0.47923%0.231SC..EExtended strand (participates in β ladder)trans-112.2119.5-179.7-172.10000108.7L6 L13 V261L6-V8 HydrophobicContact CD1-CG2 4.39Å; V8-L13 HydrophobicContact CB-CD1 4.47Å; V8-L13 HydrophobicContact CG2-CD1 3.7Å; V8-V261 HydrophobicContact CG2-CG1 4.48Å; V8-V261 HydrophobicContact CG2-CG2 4.28Å
9F77.4Confident86.2Confident79 Ų7946.5 Ų46.535%0.34622%0.222SC..EExtended strand (participates in β ladder)trans-116.4165170.4-63.3-90.9000109.7M7 Y11 L12 V46M7-F9 HydrophobicContact CB-CD2 4.35Å; M7-F9 HydrophobicContact CB-CE2 3.73Å; M7-F9 HydrophobicContact CE-CE2 3.76Å; M7-F9 HydrophobicContact CE-CZ 3.56Å; M7-F9 HydrophobicContact SD-CE2 4.28Å; F9-Y11 PolarHBondContact O-N 3.03Å; F9-L12 WeakPolarHBondContact CA-O 3.37Å; F9-L12 HydrophobicContact CB-CB 4.21Å; F9-L12 HydrophobicContact CD2-CD2 4.03Å; F9-L12 PolarHBondContact N-O 3.08Å; F9-L12 PolarHBondContact O-N 3.45Å; F9-L12 VanDerWaalsContact O-O 3.07Å; F9-V46 HydrophobicContact CD2-CG1 4.32Å; F9-V46 HydrophobicContact CE2-CG1 3.36Å; F9-V46 HydrophobicContact CZ-CG1 3.65Å
10Q73Confident86.7Confident151 Ų15144.2 Ų44.271%0.70621%0.211SC*.THydrogen-bonded Turntrans-53-33.9-173.4-171176-1.400114
11Y82.6Confident87Confident120 Ų12044 Ų4447%0.47121%0.213SC..THydrogen-bonded Turntrans-124.68.7-177.3-56.2-75.2000113.8F9 R102 T103F9-Y11 PolarHBondContact O-N 3.03Å; Y11-R102 VanDerWaalsContact O-CB 3.26Å; Y11-R102 WeakPolarHBondContact O-CB 3.26Å; Y11-R102 PolarHBondContact O-N 3.48Å; Y11-T103 HydrophobicContact CD1-CG2 4.17Å; Y11-T103 HydrophobicContact CG-CG2 4.35Å
12L89Confident87.6Confident19 Ų1942.2 Ų42.210%0.09921%0.213CC..EExtended strand (participates in β ladder)trans-149.4135-170.317282.6000111F9 F51 P53 A99 L100F9-L12 WeakPolarHBondContact CA-O 3.37Å; F9-L12 HydrophobicContact CB-CB 4.21Å; F9-L12 HydrophobicContact CD2-CD2 4.03Å; F9-L12 PolarHBondContact N-O 3.08Å; F9-L12 PolarHBondContact O-N 3.45Å; F9-L12 VanDerWaalsContact O-O 3.07Å; L12-F51 HydrophobicContact CD1-CZ 3.94Å; L12-F51 HydrophobicContact CD2-CE1 3.26Å; L12-F51 HydrophobicContact CD2-CE2 4.28Å; L12-F51 HydrophobicContact CD2-CZ 3.12Å; L12-F51 HydrophobicContact CG-CZ 4.13Å; L12-P53 HydrophobicContact CD1-CB 4.08Å; L12-P53 HydrophobicContact CD1-CG 4.02Å; L12-A99 HydrophobicContact CD1-CB 3.75Å; L12-L100 WeakPolarHBondContact CA-O 3.36Å
13L92.1Very high88.3Confident19 Ų1942.8 Ų42.810%0.09922%0.222CC..EExtended strand (participates in β ladder)trans-110.6124.6162.6-179.769.5000108.7L6 V8 L15 A99 L100 A248 V261L6-L13 HydrophobicContact CD1-CD1 3.53Å; L6-L13 HydrophobicContact CD1-CG 4.5Å; V8-L13 HydrophobicContact CB-CD1 4.47Å; V8-L13 HydrophobicContact CG2-CD1 3.7Å; L13-L15 HydrophobicContact CD1-CD2 4.03Å; L13-L15 HydrophobicContact CD2-CD1 4.29Å; L13-L15 HydrophobicContact CD2-CD2 4.01Å; L13-L15 HydrophobicContact CD2-CG 4.27Å; L13-L15 HydrophobicContact CG-CD2 3.83Å; L13-L15 HydrophobicContact CG-CG 4.17Å; L13-A99 CarbonylContact O-C 3.6Å; L13-A99 WeakPolarHBondContact O-CA 3.46Å; L13-L100 HydrophobicContact CB-CB 4.12Å; L13-L100 HydrophobicContact CB-CD1 4.44Å; L13-L100 HydrophobicContact CD2-CD1 4.18Å; L13-L100 HydrophobicContact CD2-CD2 3.93Å; L13-L100 PolarHBondContact N-O 3.49Å; L13-L100 VanDerWaalsContact N-O 3.07Å; L13-L100 PolarHBondContact O-N 3.45Å; L13-A248 HydrophobicContact CD2-CB 3.94Å; L13-V261 HydrophobicContact CD1-CG1 4Å; L13-V261 HydrophobicContact CD2-CG1 4.36Å
14L95.1Very high88.9Confident0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-109.9125.7172.3-169.585000109.5I5 M7 V46 F51 L56 L59 I97 V98 A99I5-L14 HydrophobicContact CD1-CD2 4.28Å; M7-L14 HydrophobicContact CB-CB 4.31Å; M7-L14 PolarHBondContact N-O 2.63Å; M7-L14 PolarHBondContact O-N 3.46Å; M7-L14 HydrophobicContact SD-CD2 4.21Å; L14-V46 HydrophobicContact CD2-CB 4.31Å; L14-V46 HydrophobicContact CD2-CG1 4.2Å; L14-V46 HydrophobicContact CD2-CG2 3.59Å; L14-F51 HydrophobicContact CD1-CE2 4.35Å; L14-L56 HydrophobicContact CD1-CD2 4.02Å; L14-L59 HydrophobicContact CD1-CD2 4.42Å; L14-L59 HydrophobicContact CD2-CD2 4.27Å; L14-I97 HydrophobicContact CD1-CG2 3.64Å; L14-I97 HydrophobicContact CG-CG2 4.12Å; L14-V98 WeakPolarHBondContact CA-O 3.2Å; L14-A99 HydrophobicContact CD1-CB 3.99Å
15L95.8Very high89.3Confident2 Ų241.5 Ų41.51%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-120.5148.5172.4-39169.2000108.6I5 L6 L13 I97 V98 L100 M176 I246 A248I5-L15 WeakPolarHBondContact O-CA 3.36Å; L6-L15 HydrophobicContact CB-CD2 4.39Å; L6-L15 HydrophobicContact CD1-CD2 3.18Å; L6-L15 HydrophobicContact CG-CD2 4.36Å; L13-L15 HydrophobicContact CD1-CD2 4.03Å; L13-L15 HydrophobicContact CD2-CD1 4.29Å; L13-L15 HydrophobicContact CD2-CD2 4.01Å; L13-L15 HydrophobicContact CD2-CG 4.27Å; L13-L15 HydrophobicContact CG-CD2 3.83Å; L13-L15 HydrophobicContact CG-CG 4.17Å; L15-I97 WeakPolarHBondContact O-CA 3.27Å; L15-V98 HydrophobicContact CB-CG1 3.53Å; L15-V98 HydrophobicContact CD1-CG1 3.91Å; L15-V98 HydrophobicContact CG-CG1 3.96Å; L15-V98 PolarHBondContact N-O 3.43Å; L15-V98 PolarHBondContact O-N 3.5Å; L15-L100 HydrophobicContact CD1-CD1 4.43Å; L15-M176 HydrophobicContact CB-SD 4.23Å; L15-I246 HydrophobicContact CB-CD1 4.48Å; L15-I246 HydrophobicContact CD1-CG2 3.96Å; L15-I246 HydrophobicContact CD2-CG2 4.29Å; L15-A248 HydrophobicContact CD1-CB 3.9Å
16G97.1Very high89.6Confident0 Ų047.5 Ų47.50%025%0.246CC..EExtended strand (participates in β ladder)trans-151.6148174.500000111.5Y4 I5 C96Y4-G16 CarbonylContact C-O 3.54Å; Y4-G16 WeakPolarHBondContact CA-O 3.41Å; Y4-G16 WeakPolarHBondContact CB-O 3.44Å; I5-G16 PolarHBondContact N-O 3.07Å; I5-G16 PolarHBondContact O-N 3.34Å; G16-C96 CarbonylContact C-O 3.56Å; G16-C96 WeakPolarHBondContact CA-O 3.33Å
17V97.8Very high90Very high0 Ų050.3 Ų50.30%025%0.251CS..EExtended strand (participates in β ladder)trans-127.6144.8166.9-62.80000109.7V3 C96 M176 T178 T244 I246V3-V17 CarbonylContact O-C 3.52Å; V3-V17 WeakPolarHBondContact O-CA 3.12Å; V17-C96 HydrophobicContact CG2-CB 3.81Å; V17-C96 PolarHBondContact N-O 2.91Å; V17-C96 PolarHBondContact O-N 3.29Å; V17-M176 HydrophobicContact CB-SD 4.5Å; V17-M176 HydrophobicContact CG1-CG 4.27Å; V17-M176 HydrophobicContact CG1-SD 3.97Å; V17-M176 HydrophobicContact CG2-CE 4.04Å; V17-M176 HydrophobicContact CG2-CG 4.05Å; V17-M176 HydrophobicContact CG2-SD 4.1Å; V17-T178 HydrophobicContact CB-CG2 4.28Å; V17-T178 HydrophobicContact CG2-CG2 4.37Å; V17-T244 HydrophobicContact CG1-CG2 3.93Å; V17-I246 HydrophobicContact CG1-CD1 3.77Å; V17-I246 HydrophobicContact CG1-CG1 4.35Å
18A97.7Very high90.5Very high0 Ų052.4 Ų52.40%028%0.281CS..EExtended strand (participates in β ladder)trans-136.4123173.100000108.8S2 V3 M39 S93 T94S2-A18 CarbonylContact C-O 3.55Å; S2-A18 WeakPolarHBondContact CA-O 3.44Å; V3-A18 PolarHBondContact N-O 3.37Å; V3-A18 PolarHBondContact O-N 3.42Å; A18-M39 HydrophobicContact CB-CE 4.02Å; A18-M39 HydrophobicContact CB-CG 3.61Å; A18-M39 HydrophobicContact CB-SD 4.09Å; A18-S93 WeakPolarHBondContact CB-OG 3.44Å; A18-T94 VanDerWaalsContact CA-O 3.28Å; A18-T94 WeakPolarHBondContact CA-O 3.45Å; A18-T94 WeakPolarHBondContact CB-O 3.45Å
19D96.7Very high91.1Very high13 Ų1349.9 Ų49.97%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-104.3111.8175.8-17047.6000112.3M1 S2 S93 T94 T178M1-D19 PolarHBondContact N-OD1 3.35Å; S2-D19 PolarHBondContact N-OD1 3.23Å; S2-D19 PolarHBondContact OG-OD1 3.48Å; D19-S93 PolarHBondContact N-OG 3Å; D19-S93 VanDerWaalsContact O-CA 3.25Å; D19-S93 WeakPolarHBondContact O-CA 3.31Å; D19-S93 PolarHBondContact O-OG 3.22Å; D19-S93 VanDerWaalsContact O-OG 3.05Å; D19-T94 WeakPolarHBondContact CB-OG1 3.49Å; D19-T94 PolarHBondContact N-OG1 3.12Å; D19-T94 PolarHBondContact O-N 2.65Å; D19-T178 HydrophobicContact CB-CG2 4Å
20G96.6Very high91.8Very high0 Ų049.8 Ų49.80%027%0.268CS..BIsolated β-bridgetrans-75.2131.7179.900000111.9M1 G22 S92M1-G20 PolarHBondContact N-O 3.05Å; M1-G20 PolarHBondContact O-N 3.15Å; G20-G22 PolarHBondContact O-N 3.29Å; G20-S92 WeakPolarHBondContact CA-O 3.27Å
21V94Very high92.8Very high39 Ų3942.6 Ų42.624%0.23624%0.235CC..  trans-68.5115.1-172.3175.40000112.2G23 W24 P31 S92V21-G23 PolarHBondContact O-N 3.06Å; V21-W24 PolarHBondContact O-N 3.26Å; V21-P31 VanDerWaalsContact O-CB 3.31Å; V21-P31 WeakPolarHBondContact O-CB 3.43Å; V21-S92 WeakPolarHBondContact CB-OG 3.34Å; V21-S92 WeakPolarHBondContact CG2-OG 3.3Å; V21-S92 PolarHBondContact N-O 2.97Å
22G91Very high93.4Very high35 Ų3538.1 Ų38.136%0.36122%0.221SC..G310 helixtrans-58.8-22.1-173.500000115.8G20 W24 R25G20-G22 PolarHBondContact O-N 3.29Å; G22-W24 PolarHBondContact O-N 2.9Å; G22-R25 PolarHBondContact O-N 2.89Å
23G91.2Very high93.6Very high34 Ų3441.7 Ų41.735%0.35123%0.234SC..G310 helixtrans-58.8-25.5179.500000114.4V21 R25 N26V21-G23 PolarHBondContact O-N 3.06Å; G23-R25 PolarHBondContact O-N 2.8Å; G23-R25 VanDerWaalsContact O-N 3.13Å; G23-N26 WeakPolarHBondContact O-CB 3.22Å; G23-N26 PolarHBondContact O-N 3.06Å; G23-N26 VanDerWaalsContact O-N 3.07Å
24W92.2Very high93.8Very high12 Ų1240.8 Ų40.85%0.04523%0.229CC..G310 helixtrans-56.2-28.2176.2-75114.7000113.9V21 G22 N26 Y27 G28 V29 P31 I90 G91 S92 V145 Y150V21-W24 PolarHBondContact O-N 3.26Å; G22-W24 PolarHBondContact O-N 2.9Å; W24-N26 PolarHBondContact O-N 2.79Å; W24-Y27 HydrophobicContact CE3-CD2 4.33Å; W24-Y27 WeakPolarHBondContact O-CA 3.28Å; W24-Y27 PolarHBondContact O-N 2.99Å; W24-G28 PolarHBondContact O-N 3.04Å; W24-V29 CarbonylContact C-O 3.51Å; W24-V29 HydrophobicContact CB-CB 3.97Å; W24-V29 HydrophobicContact CB-CG1 4.06Å; W24-V29 HydrophobicContact CD2-CG1 4.41Å; W24-V29 HydrophobicContact CE3-CB 4.09Å; W24-V29 HydrophobicContact CE3-CG1 4.21Å; W24-V29 HydrophobicContact CE3-CG2 4.26Å; W24-V29 HydrophobicContact CG-CG1 4.34Å; W24-V29 PolarHBondContact O-N 3.39Å; W24-V29 VanDerWaalsContact O-N 3.08Å; W24-P31 HydrophobicContact CB-CB 4.27Å; W24-I90 HydrophobicContact CE3-CG2 4.33Å; W24-I90 HydrophobicContact CH2-CG2 4.23Å; W24-I90 HydrophobicContact CZ3-CG2 3.89Å; W24-G91 VanDerWaalsContact CE2-CA 3.48Å; W24-S92 PolarHBondContact NE1-OG 3.38Å; W24-V145 HydrophobicContact CH2-CB 4.48Å; W24-V145 HydrophobicContact CH2-CG1 3.27Å; W24-V145 HydrophobicContact CZ2-CG1 3.61Å; W24-V145 HydrophobicContact CZ3-CG1 4.34Å; W24-Y150 HydrophobicContact CH2-CD1 4.26Å; W24-Y150 HydrophobicContact CH2-CE1 4.42Å; W24-Y150 HydrophobicContact CH2-CG 4.37Å; W24-Y150 HydrophobicContact CZ3-CD1 4.08Å; W24-Y150 AromaticContact CZ3-CE1 3.79Å; W24-Y150 HydrophobicContact CZ3-CE1 3.79Å; W24-Y150 HydrophobicContact CZ3-CE2 4.38Å; W24-Y150 HydrophobicContact CZ3-CG 4.49Å; W24-Y150 AromaticContact CZ3-CZ 3.95Å
25R92.2Very high93.9Very high129 Ų12940.8 Ų40.849%0.48723%0.229SC..G310 helixtrans-61.2-29.6177.7-65-175.8178.5112.8-11.8113.1G22 G23 Y27 G28 V29 P31G22-R25 PolarHBondContact O-N 2.89Å; G23-R25 PolarHBondContact O-N 2.8Å; G23-R25 VanDerWaalsContact O-N 3.13Å; R25-Y27 PolarHBondContact O-N 2.97Å; R25-G28 PolarHBondContact O-N 3.33Å; R25-V29 WeakPolarHBondContact CA-O 3.28Å; R25-V29 PolarHBondContact N-O 2.95Å; R25-P31 HydrophobicContact CG-CG 4.15Å
26N90.9Very high93.9Very high146 Ų14647 Ų4778%0.78125%0.253SS*.G310 helixtrans-66.9-18.8176.6-64.6-25000112.6G23 W24G23-N26 WeakPolarHBondContact O-CB 3.22Å; G23-N26 PolarHBondContact O-N 3.06Å; G23-N26 VanDerWaalsContact O-N 3.07Å; W24-N26 PolarHBondContact O-N 2.79Å
27Y89.5Confident93.8Very high149 Ų14948.2 Ų48.258%0.58426%0.261SS*.G310 helixtrans-103.29.6176.1-58.1-80.5000112.5W24 R25 V29 Y150W24-Y27 HydrophobicContact CE3-CD2 4.33Å; W24-Y27 WeakPolarHBondContact O-CA 3.28Å; W24-Y27 PolarHBondContact O-N 2.99Å; R25-Y27 PolarHBondContact O-N 2.97Å; Y27-V29 PolarHBondContact O-N 2.56Å; Y27-Y150 AromaticContact CD1-CE1 3.77Å; Y27-Y150 HydrophobicContact CD1-CE1 3.77Å; Y27-Y150 HydrophobicContact CD2-CE1 4.38Å; Y27-Y150 AromaticContact CE1-CE1 4Å; Y27-Y150 HydrophobicContact CE1-CE1 4Å; Y27-Y150 AromaticContact CG-CE1 3.96Å; Y27-Y150 HydrophobicContact CG-CE1 3.96Å
28G90.8Very high93.8Very high75 Ų7548.2 Ų48.277%0.77326%0.261SS*.THydrogen-bonded Turntrans71.213.7-175.700000114.2W24 R25W24-G28 PolarHBondContact O-N 3.04Å; R25-G28 PolarHBondContact O-N 3.33Å
29V90.6Very high93.7Very high25 Ų2548.2 Ų48.215%0.15226%0.261CS..  trans-96.5131178.5176.50000109.2W24 R25 Y27 P31 I90W24-V29 CarbonylContact C-O 3.51Å; W24-V29 HydrophobicContact CB-CB 3.97Å; W24-V29 HydrophobicContact CB-CG1 4.06Å; W24-V29 HydrophobicContact CD2-CG1 4.41Å; W24-V29 HydrophobicContact CE3-CB 4.09Å; W24-V29 HydrophobicContact CE3-CG1 4.21Å; W24-V29 HydrophobicContact CE3-CG2 4.26Å; W24-V29 HydrophobicContact CG-CG1 4.34Å; W24-V29 PolarHBondContact O-N 3.39Å; W24-V29 VanDerWaalsContact O-N 3.08Å; R25-V29 WeakPolarHBondContact CA-O 3.28Å; R25-V29 PolarHBondContact N-O 2.95Å; Y27-V29 PolarHBondContact O-N 2.56Å; V29-P31 VanDerWaalsContact O-CD 3.3Å; V29-P31 WeakPolarHBondContact O-CD 3.46Å; V29-I90 VanDerWaalsContact CG1-O 3.3Å; V29-I90 WeakPolarHBondContact CG1-O 3.29Å
30D92.4Very high93.7Very high77 Ų7751.9 Ų51.941%0.41228%0.281SS..  trans-77.5113.3174.3179-1.8000110.3S32 R33D30-S32 PolarHBondContact O-N 3.5Å; D30-S32 WeakPolarHBondContact OD1-CB 3.38Å; D30-S32 PolarHBondContact OD1-N 3.48Å; D30-S32 PolarHBondContact OD1-OG 3.1Å; D30-S32 PolarHBondContact OD2-OG 2.87Å; D30-R33 HydrophobicContact CB-CG 4.05Å; D30-R33 PolarHBondContact O-N 2.75Å
31P93.9Very high93.7Very high0 Ų052 Ų520%028%0.282CS..THydrogen-bonded Turntrans-63.5-22.1-17826.7-35.6000113.6M1 V21 W24 R25 V29 R33M1-P31 HydrophobicContact CB-CG 4.44Å; M1-P31 HydrophobicContact CG-CG 4.29Å; V21-P31 VanDerWaalsContact O-CB 3.31Å; V21-P31 WeakPolarHBondContact O-CB 3.43Å; W24-P31 HydrophobicContact CB-CB 4.27Å; R25-P31 HydrophobicContact CG-CG 4.15Å; V29-P31 VanDerWaalsContact O-CD 3.3Å; V29-P31 WeakPolarHBondContact O-CD 3.46Å; P31-R33 VanDerWaalsContact C-N 3.26Å; P31-R33 PolarHBondContact O-N 2.94Å
32S94.1Very high93.7Very high27 Ų2750.2 Ų50.219%0.18927%0.271CS..Hα-helixtrans-69.9-23.6179.174.10000112.9D30 F34 S35 Y36D30-S32 PolarHBondContact O-N 3.5Å; D30-S32 WeakPolarHBondContact OD1-CB 3.38Å; D30-S32 PolarHBondContact OD1-N 3.48Å; D30-S32 PolarHBondContact OD1-OG 3.1Å; D30-S32 PolarHBondContact OD2-OG 2.87Å; S32-F34 PolarHBondContact O-N 3.28Å; S32-S35 PolarHBondContact O-OG 2.96Å; S32-Y36 WeakPolarHBondContact O-CB 3.13Å; S32-Y36 PolarHBondContact O-N 3.37Å
33R94.1Very high93.8Very high94 Ų9449.6 Ų49.636%0.35526%0.263SS..Hα-helixtrans-63.2-42.6-177.4-70.4-177.168.3-167.8-4112D30 P31 S37 D87D30-R33 HydrophobicContact CB-CG 4.05Å; D30-R33 PolarHBondContact O-N 2.75Å; P31-R33 VanDerWaalsContact C-N 3.26Å; P31-R33 PolarHBondContact O-N 2.94Å; R33-S37 VanDerWaalsContact O-CB 3.31Å; R33-S37 WeakPolarHBondContact O-CB 3.35Å; R33-S37 PolarHBondContact O-N 3.1Å; R33-S37 VanDerWaalsContact O-N 3.09Å; R33-S37 PolarHBondContact O-OG 2.82Å; R33-D87 PolarHBondContact NH2-O 2.79Å
34F95.7Very high93.9Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-71.8-51.4-179.5-175.8-83.3000111.4S32 Y36 S37 M38 Y64 I89 G91 L142 L144S32-F34 PolarHBondContact O-N 3.28Å; F34-Y36 VanDerWaalsContact C-N 3.31Å; F34-Y36 PolarHBondContact O-N 2.9Å; F34-S37 PolarHBondContact O-N 2.81Å; F34-S37 VanDerWaalsContact O-N 3.11Å; F34-M38 HydrophobicContact CD1-CG 4.06Å; F34-M38 HydrophobicContact CE1-CG 3.61Å; F34-M38 HydrophobicContact CE1-SD 4.38Å; F34-M38 HydrophobicContact CZ-CG 4.06Å; F34-M38 HydrophobicContact CZ-SD 4.28Å; F34-M38 PolarHBondContact O-N 3.22Å; F34-Y64 HydrophobicContact CZ-CD2 4.28Å; F34-Y64 HydrophobicContact CZ-CE2 4.19Å; F34-I89 HydrophobicContact CB-CG2 4.27Å; F34-I89 HydrophobicContact CD2-CG2 3.95Å; F34-G91 VanDerWaalsContact CD2-O 3.3Å; F34-G91 WeakPolarHBondContact CD2-O 3.43Å; F34-L142 HydrophobicContact CE1-CB 4.03Å; F34-L142 HydrophobicContact CZ-CB 3.9Å; F34-L144 HydrophobicContact CD2-CB 4.22Å; F34-L144 HydrophobicContact CD2-CD1 4.4Å; F34-L144 HydrophobicContact CD2-CG 4.5Å; F34-L144 HydrophobicContact CE2-CB 3.77Å; F34-L144 HydrophobicContact CE2-CD1 3.8Å; F34-L144 HydrophobicContact CE2-CG 3.68Å
35S96.9Very high94.1Very high0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-59.9-41.5179.358.20000112M1 S32 M38 M39 S93M1-S35 PolarHBondContact O-OG 3.04Å; S32-S35 PolarHBondContact O-OG 2.96Å; S35-M38 PolarHBondContact O-N 3.07Å; S35-M39 WeakPolarHBondContact O-CB 3.29Å; S35-M39 WeakPolarHBondContact O-CG 3.43Å; S35-M39 PolarHBondContact O-N 2.83Å; S35-M39 VanDerWaalsContact O-N 3.11Å; S35-S93 VanDerWaalsContact CB-OG 3.24Å; S35-S93 WeakPolarHBondContact CB-OG 3.44Å
36Y96.2Very high94.1Very high133 Ų13347.4 Ų47.452%0.52225%0.25SS..Hα-helixtrans-61.3-44.9173.6-179.8-95.7000112.4V3 S32 F34 M38 M39 N40V3-Y36 HydrophobicContact CG1-CD2 4.11Å; S32-Y36 WeakPolarHBondContact O-CB 3.13Å; S32-Y36 PolarHBondContact O-N 3.37Å; F34-Y36 VanDerWaalsContact C-N 3.31Å; F34-Y36 PolarHBondContact O-N 2.9Å; Y36-M38 VanDerWaalsContact C-N 3.34Å; Y36-M38 PolarHBondContact O-N 3.18Å; Y36-M39 PolarHBondContact O-N 3.28Å; Y36-N40 HydrophobicContact CE1-CB 4.31Å; Y36-N40 VanDerWaalsContact O-CB 3.25Å; Y36-N40 WeakPolarHBondContact O-CB 3.49Å; Y36-N40 PolarHBondContact O-N 2.96Å
37S95.9Very high94.1Very high24 Ų2443.4 Ų43.417%0.16824%0.237CC..Hα-helixtrans-65.7-38.8-178.4-59.50000111.9R33 F34 A41 V67 I89R33-S37 VanDerWaalsContact O-CB 3.31Å; R33-S37 WeakPolarHBondContact O-CB 3.35Å; R33-S37 PolarHBondContact O-N 3.1Å; R33-S37 VanDerWaalsContact O-N 3.09Å; R33-S37 PolarHBondContact O-OG 2.82Å; F34-S37 PolarHBondContact O-N 2.81Å; F34-S37 VanDerWaalsContact O-N 3.11Å; S37-A41 VanDerWaalsContact O-CB 3.29Å; S37-A41 WeakPolarHBondContact O-CB 3.48Å; S37-A41 PolarHBondContact O-N 3.45Å; S37-V67 WeakPolarHBondContact O-CG2 3.34Å; S37-I89 VanDerWaalsContact OG-CD1 3.3Å; S37-I89 WeakPolarHBondContact OG-CD1 3.36Å
38M97.1Very high94.2Very high0 Ų041.7 Ų41.70%024%0.235CC..Hα-helixtrans-60.1-50.8173.7-76.5-59.7-56.100111.7F34 S35 Y36 A41 C42 Y64 V67 V95 L142F34-M38 HydrophobicContact CD1-CG 4.06Å; F34-M38 HydrophobicContact CE1-CG 3.61Å; F34-M38 HydrophobicContact CE1-SD 4.38Å; F34-M38 HydrophobicContact CZ-CG 4.06Å; F34-M38 HydrophobicContact CZ-SD 4.28Å; F34-M38 PolarHBondContact O-N 3.22Å; S35-M38 PolarHBondContact O-N 3.07Å; Y36-M38 VanDerWaalsContact C-N 3.34Å; Y36-M38 PolarHBondContact O-N 3.18Å; M38-A41 PolarHBondContact O-N 3.41Å; M38-C42 PolarHBondContact O-N 2.87Å; M38-C42 PolarHBondContact O-SG 2.73Å; M38-Y64 HydrophobicContact SD-CD2 4.21Å; M38-V67 HydrophobicContact SD-CB 4.37Å; M38-V67 HydrophobicContact SD-CG2 3.94Å; M38-V95 HydrophobicContact CE-CG2 4.25Å; M38-L142 HydrophobicContact CE-CD1 3.53Å; M38-L142 HydrophobicContact SD-CD1 4.22Å
39M96.9Very high94Very high1 Ų140.8 Ų40.81%0.00523%0.225CC..Hα-helixtrans-64.5-39.8179.5-75.8-57.394.600112.8V3 I5 A18 S35 Y36 C42 A43 V95 I97V3-M39 HydrophobicContact CB-CG 4.32Å; V3-M39 HydrophobicContact CG1-CB 3.99Å; V3-M39 HydrophobicContact CG1-CG 4.1Å; I5-M39 HydrophobicContact CD1-SD 3.97Å; I5-M39 HydrophobicContact CG1-SD 3.89Å; I5-M39 HydrophobicContact CG2-CB 3.71Å; I5-M39 HydrophobicContact CG2-CG 4.36Å; I5-M39 HydrophobicContact CG2-SD 4.32Å; A18-M39 HydrophobicContact CB-CE 4.02Å; A18-M39 HydrophobicContact CB-CG 3.61Å; A18-M39 HydrophobicContact CB-SD 4.09Å; S35-M39 WeakPolarHBondContact O-CB 3.29Å; S35-M39 WeakPolarHBondContact O-CG 3.43Å; S35-M39 PolarHBondContact O-N 2.83Å; S35-M39 VanDerWaalsContact O-N 3.11Å; Y36-M39 PolarHBondContact O-N 3.28Å; M39-C42 WeakPolarHBondContact O-CB 3.4Å; M39-C42 PolarHBondContact O-N 2.86Å; M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 2.85Å; M39-V95 HydrophobicContact CE-CG1 3.82Å; M39-I97 HydrophobicContact CE-CD1 4.42Å; M39-I97 HydrophobicContact CE-CG1 4.4Å
40N95.7Very high93.6Very high89 Ų8946.1 Ų46.148%0.47625%0.246SC..Hα-helixtrans-66.1-38.7174.4-174.978.1000112.1Y36 A43 H44Y36-N40 HydrophobicContact CE1-CB 4.31Å; Y36-N40 VanDerWaalsContact O-CB 3.25Å; Y36-N40 WeakPolarHBondContact O-CB 3.49Å; Y36-N40 PolarHBondContact O-N 2.96Å; N40-A43 PolarHBondContact O-N 3.37Å; N40-H44 WeakPolarHBondContact O-CB 3.31Å; N40-H44 PolarHBondContact O-N 3.09Å
41A95.8Very high93.5Very high4 Ų444.4 Ų44.43%0.03324%0.235CC..Hα-helixtrans-65.7-42.3174.600000111.8S37 M38 A43 H44 L45 V66 V67S37-A41 VanDerWaalsContact O-CB 3.29Å; S37-A41 WeakPolarHBondContact O-CB 3.48Å; S37-A41 PolarHBondContact O-N 3.45Å; M38-A41 PolarHBondContact O-N 3.41Å; A41-A43 VanDerWaalsContact C-N 3.33Å; A41-A43 PolarHBondContact O-N 2.98Å; A41-H44 PolarHBondContact O-N 3.28Å; A41-L45 WeakPolarHBondContact O-CG 3.28Å; A41-L45 PolarHBondContact O-N 3.49Å; A41-V66 HydrophobicContact CB-CB 4.16Å; A41-V66 HydrophobicContact CB-CG1 3.95Å; A41-V67 HydrophobicContact CB-CG2 3.9Å
42C95.3Very high93.4Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-56-50.6173-67.50000110.4I5 M38 M39 H44 L45 V46 S63 I97I5-C42 HydrophobicContact CD1-CB 3.8Å; M38-C42 PolarHBondContact O-N 2.87Å; M38-C42 PolarHBondContact O-SG 2.73Å; M39-C42 WeakPolarHBondContact O-CB 3.4Å; M39-C42 PolarHBondContact O-N 2.86Å; C42-H44 VanDerWaalsContact C-N 3.31Å; C42-H44 PolarHBondContact O-N 3.06Å; C42-L45 PolarHBondContact O-N 2.89Å; C42-V46 WeakPolarHBondContact O-CG2 3.25Å; C42-V46 PolarHBondContact O-N 3.25Å; C42-V46 VanDerWaalsContact O-N 3.1Å; C42-S63 WeakPolarHBondContact CA-OG 3.05Å; C42-S63 PolarHBondContact N-OG 3.14Å; C42-S63 PolarHBondContact SG-OG 2.69Å; C42-I97 HydrophobicContact CB-CD1 4.5Å; C42-I97 VanDerWaalsContact SG-CD1 3.59Å
43A93.4Very high93.4Very high23 Ų2351.3 Ų51.319%0.1926%0.26CS..Hα-helixtrans-61.9-39.8-178.800000112.6M7 M39 N40 A41 A47M7-A43 HydrophobicContact CE-CB 4.38Å; M7-A43 WeakPolarHBondContact CE-O 3.39Å; M7-A43 WeakPolarHBondContact SD-CA 3.44Å; M7-A43 HydrophobicContact SD-CB 3.81Å; M39-A43 WeakPolarHBondContact O-CB 3.39Å; M39-A43 PolarHBondContact O-N 2.85Å; N40-A43 PolarHBondContact O-N 3.37Å; A41-A43 VanDerWaalsContact C-N 3.33Å; A41-A43 PolarHBondContact O-N 2.98Å; A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 2.92Å
44H93.5Very high93.4Very high104 Ų10451.7 Ų51.748%0.48127%0.269SS..Hα-helixtrans-65.9-48.5177.7-175.247.2000112.4N40 A41 C42 V46 A47 E48N40-H44 WeakPolarHBondContact O-CB 3.31Å; N40-H44 PolarHBondContact O-N 3.09Å; A41-H44 PolarHBondContact O-N 3.28Å; C42-H44 VanDerWaalsContact C-N 3.31Å; C42-H44 PolarHBondContact O-N 3.06Å; H44-V46 VanDerWaalsContact C-N 3.29Å; H44-V46 PolarHBondContact O-N 2.91Å; H44-A47 PolarHBondContact O-N 2.81Å; H44-E48 IonicContact CE1-OE1 3.84Å; H44-E48 WeakPolarHBondContact O-CG 3.43Å; H44-E48 PolarHBondContact O-N 3.35Å; H44-E48 VanDerWaalsContact O-N 3.07Å
45L94.5Very high93.4Very high21 Ų2154.8 Ų54.811%0.1128%0.284CS..Hα-helixtrans-60.7-39.4-180-71.9171.4000112.4A41 C42 E48 G49 F50 L59 N62 V66A41-L45 WeakPolarHBondContact O-CG 3.28Å; A41-L45 PolarHBondContact O-N 3.49Å; C42-L45 PolarHBondContact O-N 2.89Å; L45-E48 PolarHBondContact O-N 3.43Å; L45-G49 PolarHBondContact O-N 2.95Å; L45-F50 HydrophobicContact CD2-CB 4.31Å; L45-F50 PolarHBondContact O-N 2.67Å; L45-L59 HydrophobicContact CB-CD1 3.9Å; L45-L59 HydrophobicContact CD1-CD1 4.1Å; L45-N62 HydrophobicContact CD1-CB 3.62Å; L45-V66 HydrophobicContact CD1-CG2 4.36Å; L45-V66 HydrophobicContact CD2-CG2 4.28Å
46V92.4Very high93.5Very high4 Ų454.9 Ų54.92%0.02428%0.284CS..Hα-helixtrans-69.6-41.2178.8177.40000110.7M7 F9 L14 C42 H44 E48 G49 F51 L59M7-V46 HydrophobicContact CE-CB 4.17Å; M7-V46 HydrophobicContact CE-CG1 4.15Å; M7-V46 HydrophobicContact SD-CB 3.96Å; M7-V46 HydrophobicContact SD-CG1 4.01Å; F9-V46 HydrophobicContact CD2-CG1 4.32Å; F9-V46 HydrophobicContact CE2-CG1 3.36Å; F9-V46 HydrophobicContact CZ-CG1 3.65Å; L14-V46 HydrophobicContact CD2-CB 4.31Å; L14-V46 HydrophobicContact CD2-CG1 4.2Å; L14-V46 HydrophobicContact CD2-CG2 3.59Å; C42-V46 WeakPolarHBondContact O-CG2 3.25Å; C42-V46 PolarHBondContact O-N 3.25Å; C42-V46 VanDerWaalsContact O-N 3.1Å; H44-V46 VanDerWaalsContact C-N 3.29Å; H44-V46 PolarHBondContact O-N 2.91Å; V46-E48 VanDerWaalsContact C-N 3.26Å; V46-E48 PolarHBondContact O-N 3.01Å; V46-G49 PolarHBondContact O-N 3.46Å; V46-F51 HydrophobicContact CB-CD1 4.4Å; V46-F51 HydrophobicContact CG1-CD1 3.89Å; V46-F51 HydrophobicContact CG1-CE1 4.14Å; V46-F51 HydrophobicContact CG1-CG 4.39Å; V46-F51 HydrophobicContact CG2-CB 4.07Å; V46-F51 HydrophobicContact CG2-CD1 4.26Å; V46-F51 HydrophobicContact CG2-CD2 4.28Å; V46-F51 HydrophobicContact CG2-CG 3.92Å; V46-L59 HydrophobicContact CG2-CD1 3.85Å; V46-L59 HydrophobicContact CG2-CD2 3.7Å; V46-L59 HydrophobicContact CG2-CG 4.46Å
47A90.7Very high93.5Very high61 Ų6152 Ų5250%0.50427%0.272SS..Hα-helixtrans-62.5-33.4176.400000112.9M7 A43 H44 G49M7-A47 HydrophobicContact CE-CB 4.06Å; A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 2.92Å; H44-A47 PolarHBondContact O-N 2.81Å; A47-G49 VanDerWaalsContact C-N 3.26Å; A47-G49 PolarHBondContact O-N 2.85Å
48E91.9Very high93.6Very high114 Ų11454.7 Ų54.753%0.53328%0.282SS..THydrogen-bonded Turntrans-81.7-1.4175.9-65-63.2136.200113.3H44 L45 V46 F50H44-E48 IonicContact CE1-OE1 3.84Å; H44-E48 WeakPolarHBondContact O-CG 3.43Å; H44-E48 PolarHBondContact O-N 3.35Å; H44-E48 VanDerWaalsContact O-N 3.07Å; L45-E48 PolarHBondContact O-N 3.43Å; V46-E48 VanDerWaalsContact C-N 3.26Å; V46-E48 PolarHBondContact O-N 3.01Å; E48-F50 VanDerWaalsContact C-N 3.3Å; E48-F50 HydrophobicContact CB-CD2 3.46Å; E48-F50 VanDerWaalsContact CB-CD2 3.46Å; E48-F50 HydrophobicContact CB-CE2 3.71Å; E48-F50 PolarHBondContact O-N 3.25Å
49G86.8Confident93.6Very high55 Ų5554.8 Ų54.857%0.56728%0.283SS*.THydrogen-bonded Turntrans76.112.6179.700000114.6L45 V46 A47 F51L45-G49 PolarHBondContact O-N 2.95Å; V46-G49 PolarHBondContact O-N 3.46Å; A47-G49 VanDerWaalsContact C-N 3.26Å; A47-G49 PolarHBondContact O-N 2.85Å; G49-F51 PolarHBondContact O-N 3.26Å; G49-F51 VanDerWaalsContact O-N 3.08Å
50F83.1Confident93.6Very high137 Ų13754.8 Ų54.860%0.60128%0.283SS*.  trans-85.854.3176.7-65.1-64.1000111.6L45 E48L45-F50 HydrophobicContact CD2-CB 4.31Å; L45-F50 PolarHBondContact O-N 2.67Å; E48-F50 VanDerWaalsContact C-N 3.3Å; E48-F50 HydrophobicContact CB-CD2 3.46Å; E48-F50 VanDerWaalsContact CB-CD2 3.46Å; E48-F50 HydrophobicContact CB-CE2 3.71Å; E48-F50 PolarHBondContact O-N 3.25Å
51F89.5Confident93.7Very high42 Ų4251.6 Ų51.618%0.18427%0.269CS..  trans-158.5151.4-179122.3-78.7000111.5L12 L14 V46 G49 P53 L56 L59L12-F51 HydrophobicContact CD1-CZ 3.94Å; L12-F51 HydrophobicContact CD2-CE1 3.26Å; L12-F51 HydrophobicContact CD2-CE2 4.28Å; L12-F51 HydrophobicContact CD2-CZ 3.12Å; L12-F51 HydrophobicContact CG-CZ 4.13Å; L14-F51 HydrophobicContact CD1-CE2 4.35Å; V46-F51 HydrophobicContact CB-CD1 4.4Å; V46-F51 HydrophobicContact CG1-CD1 3.89Å; V46-F51 HydrophobicContact CG1-CE1 4.14Å; V46-F51 HydrophobicContact CG1-CG 4.39Å; V46-F51 HydrophobicContact CG2-CB 4.07Å; V46-F51 HydrophobicContact CG2-CD1 4.26Å; V46-F51 HydrophobicContact CG2-CD2 4.28Å; V46-F51 HydrophobicContact CG2-CG 3.92Å; G49-F51 PolarHBondContact O-N 3.26Å; G49-F51 VanDerWaalsContact O-N 3.08Å; F51-P53 HydrophobicContact CE1-CG 4.48Å; F51-P53 VanDerWaalsContact CE2-CA 3.47Å; F51-P53 HydrophobicContact CE2-CB 4.39Å; F51-P53 HydrophobicContact CE2-CG 4.35Å; F51-P53 HydrophobicContact CZ-CB 4.19Å; F51-P53 HydrophobicContact CZ-CG 3.74Å; F51-L56 HydrophobicContact CD2-CD2 4.25Å; F51-L56 HydrophobicContact CE2-CD2 3.98Å; F51-L59 HydrophobicContact CB-CD1 4.34Å; F51-L59 HydrophobicContact CD2-CD2 4.14Å
52R92.6Very high93.8Very high148 Ų14855.2 Ų55.256%0.55829%0.288SS*.  trans-121.5139.5165.5-66.9175.3173.3164.2-0.2109.7D54 E55R52-D54 WeakPolarHBondContact CB-OD1 3.4Å; R52-D54 PolarHBondContact O-N 3.01Å; R52-E55 HydrophobicContact CB-CB 4.06Å; R52-E55 HydrophobicContact CB-CG 4.14Å; R52-E55 VanDerWaalsContact CD-CD 3.44Å; R52-E55 VanDerWaalsContact CD-OE1 3.28Å; R52-E55 WeakPolarHBondContact CD-OE1 3.48Å; R52-E55 IonicContact CZ-OE1 3.83Å; R52-E55 IonicContact NE-OE1 3.85Å; R52-E55 IonicContact NH1-OE1 3.92Å; R52-E55 PolarHBondContact NH1-OE1 3.35Å; R52-E55 IonicContact NH1-OE2 2.81Å; R52-E55 PolarHBondContact O-N 2.72Å; R52-E55 VanDerWaalsContact O-N 3.08Å
53P93.1Very high93.9Very high24 Ų2455.2 Ų55.216%0.15629%0.288CS..THydrogen-bonded Turntrans-54.2-35.8-179.1-24.532.6000114.4L12 F51 L56 A99 E101 H108L12-P53 HydrophobicContact CD1-CB 4.08Å; L12-P53 HydrophobicContact CD1-CG 4.02Å; F51-P53 HydrophobicContact CE1-CG 4.48Å; F51-P53 VanDerWaalsContact CE2-CA 3.47Å; F51-P53 HydrophobicContact CE2-CB 4.39Å; F51-P53 HydrophobicContact CE2-CG 4.35Å; F51-P53 HydrophobicContact CZ-CB 4.19Å; F51-P53 HydrophobicContact CZ-CG 3.74Å; P53-L56 WeakPolarHBondContact O-CG 3.48Å; P53-A99 HydrophobicContact CB-CB 4.3Å; P53-E101 HydrophobicContact CB-CB 4.07Å; P53-E101 HydrophobicContact CB-CG 4.19Å; P53-E101 WeakPolarHBondContact CB-OE2 3.04Å; P53-E101 HydrophobicContact CG-CB 4.48Å; P53-E101 HydrophobicContact CG-CG 4.1Å; P53-H108 WeakPolarHBondContact O-CB 3.1Å; P53-H108 PolarHBondContact O-CD2 2.91Å; P53-H108 VanDerWaalsContact O-CG 3.23Å
54D95.2Very high94.1Very high102 Ų10255.7 Ų55.755%0.54529%0.285SS..THydrogen-bonded Turntrans-87.3-5.5-178.560.2-31000114.3R52R52-D54 WeakPolarHBondContact CB-OD1 3.4Å; R52-D54 PolarHBondContact O-N 3.01Å
55E96.3Very high94.3Very high64 Ų6454.4 Ų54.430%0.29928%0.279SS..  trans-114.848.7-178.9-63.5-180-168.900111.2R52 R57 E58 L59R52-E55 HydrophobicContact CB-CB 4.06Å; R52-E55 HydrophobicContact CB-CG 4.14Å; R52-E55 VanDerWaalsContact CD-CD 3.44Å; R52-E55 VanDerWaalsContact CD-OE1 3.28Å; R52-E55 WeakPolarHBondContact CD-OE1 3.48Å; R52-E55 IonicContact CZ-OE1 3.83Å; R52-E55 IonicContact NE-OE1 3.85Å; R52-E55 IonicContact NH1-OE1 3.92Å; R52-E55 PolarHBondContact NH1-OE1 3.35Å; R52-E55 IonicContact NH1-OE2 2.81Å; R52-E55 PolarHBondContact O-N 2.72Å; R52-E55 VanDerWaalsContact O-N 3.08Å; E55-R57 VanDerWaalsContact C-N 3.3Å; E55-R57 PolarHBondContact O-N 3.17Å; E55-E58 VanDerWaalsContact CA-OE2 3.24Å; E55-E58 WeakPolarHBondContact CA-OE2 3.35Å; E55-E58 HydrophobicContact CB-CB 4.24Å; E55-E58 HydrophobicContact CB-CG 4.23Å; E55-E58 WeakPolarHBondContact CB-OE2 3.22Å; E55-E58 WeakPolarHBondContact O-CB 3.49Å; E55-E58 PolarHBondContact O-N 3.46Å; E55-L59 PolarHBondContact O-N 3.29Å
56L97.1Very high94.4Very high3 Ų356.3 Ų56.32%0.01629%0.291CS..Hα-helixtrans-69.5-23.3-177.3-67-175.3000113.8L14 F51 P53 E58 L59 I60 I97 A99 H108 A110L14-L56 HydrophobicContact CD1-CD2 4.02Å; F51-L56 HydrophobicContact CD2-CD2 4.25Å; F51-L56 HydrophobicContact CE2-CD2 3.98Å; P53-L56 WeakPolarHBondContact O-CG 3.48Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-L59 HydrophobicContact CD2-CD2 4.13Å; L56-L59 WeakPolarHBondContact O-CB 3.38Å; L56-L59 PolarHBondContact O-N 3.08Å; L56-I60 WeakPolarHBondContact O-CG1 3.32Å; L56-I60 PolarHBondContact O-N 2.82Å; L56-I60 VanDerWaalsContact O-N 3.07Å; L56-I97 HydrophobicContact CD1-CG2 4.16Å; L56-I97 HydrophobicContact CD2-CG2 4.16Å; L56-A99 HydrophobicContact CD1-CB 4.02Å; L56-A99 HydrophobicContact CD2-CB 4.09Å; L56-A99 HydrophobicContact CG-CB 4.45Å; L56-H108 HydrophobicContact CD1-CB 4.06Å; L56-H108 WeakPolarHBondContact CD1-O 3.35Å; L56-H108 HydrophobicContact CG-CB 4.44Å; L56-A110 HydrophobicContact CB-CB 3.53Å
57R97.5Very high94.5Very high71 Ų7156.3 Ų56.327%0.26829%0.291SS..Hα-helixtrans-65-42172.9175.7-173.5-70139.80.5110.6E55 L59 I60 A61 D159 A161 V163E55-R57 VanDerWaalsContact C-N 3.3Å; E55-R57 PolarHBondContact O-N 3.17Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.21Å; R57-I60 WeakPolarHBondContact O-CB 3.45Å; R57-I60 PolarHBondContact O-N 3.47Å; R57-I60 VanDerWaalsContact O-N 3.13Å; R57-A61 PolarHBondContact O-N 3.45Å; R57-D159 PolarHBondContact NE-O 3.42Å; R57-A161 PolarHBondContact NE-O 3.22Å; R57-A161 PolarHBondContact NH2-O 3.35Å; R57-V163 HydrophobicContact CB-CG1 3.76Å; R57-V163 VanDerWaalsContact NH2-CG2 3.35Å
58E97.3Very high94.7Very high81 Ų8156.3 Ų56.338%0.37928%0.28SS..Hα-helixtrans-64.1-37.8177-6768.9-16300110.2E55 L56 A61 N62E55-E58 VanDerWaalsContact CA-OE2 3.24Å; E55-E58 WeakPolarHBondContact CA-OE2 3.35Å; E55-E58 HydrophobicContact CB-CB 4.24Å; E55-E58 HydrophobicContact CB-CG 4.23Å; E55-E58 WeakPolarHBondContact CB-OE2 3.22Å; E55-E58 WeakPolarHBondContact O-CB 3.49Å; E55-E58 PolarHBondContact O-N 3.46Å; L56-E58 VanDerWaalsContact C-N 3.33Å; E58-A61 PolarHBondContact O-N 2.84Å; E58-N62 VanDerWaalsContact O-CB 3.28Å; E58-N62 WeakPolarHBondContact O-CB 3.24Å; E58-N62 PolarHBondContact O-N 3.39Å; E58-N62 PolarHBondContact O-ND2 3.49Å
59L97.1Very high94.8Very high3 Ų355 Ų552%0.01628%0.276CS..Hα-helixtrans-60.7-43.8171.2178.960.3000112L14 L45 V46 F51 E55 L56 R57 S63 I97L14-L59 HydrophobicContact CD1-CD2 4.42Å; L14-L59 HydrophobicContact CD2-CD2 4.27Å; L45-L59 HydrophobicContact CB-CD1 3.9Å; L45-L59 HydrophobicContact CD1-CD1 4.1Å; V46-L59 HydrophobicContact CG2-CD1 3.85Å; V46-L59 HydrophobicContact CG2-CD2 3.7Å; V46-L59 HydrophobicContact CG2-CG 4.46Å; F51-L59 HydrophobicContact CB-CD1 4.34Å; F51-L59 HydrophobicContact CD2-CD2 4.14Å; E55-L59 PolarHBondContact O-N 3.29Å; L56-L59 HydrophobicContact CD2-CD2 4.13Å; L56-L59 WeakPolarHBondContact O-CB 3.38Å; L56-L59 PolarHBondContact O-N 3.08Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.21Å; L59-S63 VanDerWaalsContact O-CB 3.24Å; L59-S63 WeakPolarHBondContact O-CB 3.28Å; L59-S63 PolarHBondContact O-N 3.29Å; L59-S63 PolarHBondContact O-OG 3.46Å; L59-I97 HydrophobicContact CD2-CD1 4.24Å; L59-I97 HydrophobicContact CD2-CG2 4.47Å; L59-I97 HydrophobicContact CG-CD1 4.47Å
60I97.9Very high94.9Very high0 Ų054.1 Ų54.10%026%0.264CS..Hα-helixtrans-62.2-47.3175.1-66.3177.1000110.6L56 R57 S63 Y64 V95 I97 A110 L142 P158 A161L56-I60 WeakPolarHBondContact O-CG1 3.32Å; L56-I60 PolarHBondContact O-N 2.82Å; L56-I60 VanDerWaalsContact O-N 3.07Å; R57-I60 WeakPolarHBondContact O-CB 3.45Å; R57-I60 PolarHBondContact O-N 3.47Å; R57-I60 VanDerWaalsContact O-N 3.13Å; I60-S63 PolarHBondContact O-N 2.95Å; I60-Y64 WeakPolarHBondContact O-CB 3.36Å; I60-Y64 PolarHBondContact O-N 3.33Å; I60-V95 HydrophobicContact CD1-CB 4.38Å; I60-V95 HydrophobicContact CD1-CG1 3.81Å; I60-V95 HydrophobicContact CG1-CG1 3.87Å; I60-V95 HydrophobicContact CG2-CG1 4.48Å; I60-I97 HydrophobicContact CD1-CD1 4.39Å; I60-I97 HydrophobicContact CG1-CD1 3.71Å; I60-I97 HydrophobicContact CG1-CG1 4.47Å; I60-A110 HydrophobicContact CD1-CB 3.64Å; I60-L142 HydrophobicContact CG2-CD1 3.75Å; I60-P158 HydrophobicContact CG2-CB 4.2Å; I60-A161 HydrophobicContact CD1-CB 4.12Å
61A98Very high95.2Very high22 Ų2248.1 Ų48.118%0.18224%0.239CC..Hα-helixtrans-62.2-47.2-179.300000112.4R57 E58 S63 Y64 E65 P158R57-A61 PolarHBondContact O-N 3.45Å; E58-A61 PolarHBondContact O-N 2.84Å; A61-S63 VanDerWaalsContact C-N 3.33Å; A61-S63 PolarHBondContact O-N 3.28Å; A61-Y64 WeakPolarHBondContact O-CB 3.4Å; A61-Y64 PolarHBondContact O-N 2.96Å; A61-E65 PolarHBondContact O-N 2.84Å; A61-P158 HydrophobicContact CB-CB 3.68Å; A61-P158 HydrophobicContact CB-CG 4.24Å
62N97.5Very high95Very high80 Ų8051.8 Ų51.843%0.42826%0.255SS..Hα-helixtrans-64.2-39.9177.4-69.6-26.5000111.3L45 E58 Y64 E65 V66L45-N62 HydrophobicContact CD1-CB 3.62Å; E58-N62 VanDerWaalsContact O-CB 3.28Å; E58-N62 WeakPolarHBondContact O-CB 3.24Å; E58-N62 PolarHBondContact O-N 3.39Å; E58-N62 PolarHBondContact O-ND2 3.49Å; N62-Y64 VanDerWaalsContact C-N 3.34Å; N62-E65 PolarHBondContact O-N 2.78Å; N62-V66 VanDerWaalsContact O-CG2 3.24Å; N62-V66 WeakPolarHBondContact O-CG2 3.37Å; N62-V66 PolarHBondContact O-N 2.72Å
63S97.1Very high94.3Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-62.6-43.2175.5-61.30000111.3C42 L59 I60 A61 E65 V66 V67C42-S63 WeakPolarHBondContact CA-OG 3.05Å; C42-S63 PolarHBondContact N-OG 3.14Å; C42-S63 PolarHBondContact SG-OG 2.69Å; L59-S63 VanDerWaalsContact O-CB 3.24Å; L59-S63 WeakPolarHBondContact O-CB 3.28Å; L59-S63 PolarHBondContact O-N 3.29Å; L59-S63 PolarHBondContact O-OG 3.46Å; I60-S63 PolarHBondContact O-N 2.95Å; A61-S63 VanDerWaalsContact C-N 3.33Å; A61-S63 PolarHBondContact O-N 3.28Å; S63-E65 PolarHBondContact O-N 2.86Å; S63-V66 PolarHBondContact O-N 3.13Å; S63-V67 VanDerWaalsContact O-CG2 3.3Å; S63-V67 WeakPolarHBondContact O-CG2 3.24Å; S63-V67 PolarHBondContact O-N 3.36Å
64Y97.8Very high93.6Very high34 Ų3454.9 Ų54.913%0.13327%0.271CS..Hα-helixtrans-60.9-44.4176.4-179.7-108.5000111.9F34 M38 I60 A61 N62 V66 V67 K68 L142 A143 L144 P158F34-Y64 HydrophobicContact CZ-CD2 4.28Å; F34-Y64 HydrophobicContact CZ-CE2 4.19Å; M38-Y64 HydrophobicContact SD-CD2 4.21Å; I60-Y64 WeakPolarHBondContact O-CB 3.36Å; I60-Y64 PolarHBondContact O-N 3.33Å; A61-Y64 WeakPolarHBondContact O-CB 3.4Å; A61-Y64 PolarHBondContact O-N 2.96Å; N62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-V66 PolarHBondContact O-N 3.27Å; Y64-V67 PolarHBondContact O-N 3.35Å; Y64-K68 HydrophobicContact CE1-CD 4.28Å; Y64-K68 WeakPolarHBondContact O-CB 3.32Å; Y64-K68 PolarHBondContact O-N 2.84Å; Y64-L142 HydrophobicContact CD2-CB 4.17Å; Y64-L142 HydrophobicContact CD2-CD1 4.11Å; Y64-L142 HydrophobicContact CE2-CB 4.27Å; Y64-L142 HydrophobicContact CG-CD1 4.46Å; Y64-A143 PolarHBondContact OH-O 3.44Å; Y64-L144 HydrophobicContact CE2-CD1 4.49Å; Y64-L144 HydrophobicContact CE2-CD2 3.91Å; Y64-L144 HydrophobicContact CE2-CG 3.81Å; Y64-L144 WeakPolarHBondContact OH-CD2 3.47Å; Y64-P158 HydrophobicContact CD1-CG 3.89Å; Y64-P158 HydrophobicContact CG-CG 4.11Å
65E97Very high92.5Very high77 Ų7753.1 Ų53.136%0.3626%0.262SS..Hα-helixtrans-65.3-37.3176-74.2-61.4137.400112.8A61 N62 S63 K68 N69A61-E65 PolarHBondContact O-N 2.84Å; N62-E65 PolarHBondContact O-N 2.78Å; S63-E65 PolarHBondContact O-N 2.86Å; E65-K68 PolarHBondContact O-N 2.82Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 3.35Å; E65-K68 IonicContact OE2-NZ 2.92Å; E65-N69 WeakPolarHBondContact O-CB 3.24Å; E65-N69 VanDerWaalsContact O-CG 3.23Å; E65-N69 PolarHBondContact O-N 3.34Å; E65-N69 PolarHBondContact O-ND2 3.47Å
66V95.7Very high91.3Very high60 Ų6057.4 Ų57.436%0.36428%0.282SS..Hα-helixtrans-59.8-48.5172.5169.50000110.9A41 L45 N62 S63 Y64 A70A41-V66 HydrophobicContact CB-CB 4.16Å; A41-V66 HydrophobicContact CB-CG1 3.95Å; L45-V66 HydrophobicContact CD1-CG2 4.36Å; L45-V66 HydrophobicContact CD2-CG2 4.28Å; N62-V66 VanDerWaalsContact O-CG2 3.24Å; N62-V66 WeakPolarHBondContact O-CG2 3.37Å; N62-V66 PolarHBondContact O-N 2.72Å; S63-V66 PolarHBondContact O-N 3.13Å; Y64-V66 PolarHBondContact O-N 3.27Å; V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 3.43Å
67V95.7Very high89.6Confident4 Ų463.5 Ų63.52%0.02431%0.314CS..Hα-helixtrans-64.8-43.1179.9177.60000111S37 M38 A41 S63 Y64 A70 S71 I89 L144S37-V67 WeakPolarHBondContact O-CG2 3.34Å; M38-V67 HydrophobicContact SD-CB 4.37Å; M38-V67 HydrophobicContact SD-CG2 3.94Å; A41-V67 HydrophobicContact CB-CG2 3.9Å; S63-V67 VanDerWaalsContact O-CG2 3.3Å; S63-V67 WeakPolarHBondContact O-CG2 3.24Å; S63-V67 PolarHBondContact O-N 3.36Å; Y64-V67 PolarHBondContact O-N 3.35Å; V67-A70 PolarHBondContact O-N 2.99Å; V67-S71 WeakPolarHBondContact O-CB 3.48Å; V67-S71 PolarHBondContact O-N 2.91Å; V67-I89 HydrophobicContact CG1-CB 4.35Å; V67-I89 HydrophobicContact CG1-CD1 3.84Å; V67-I89 HydrophobicContact CG1-CG2 3.98Å; V67-L144 HydrophobicContact CB-CD1 4.3Å; V67-L144 HydrophobicContact CG1-CD1 3.62Å
68K94.6Very high87.7Confident61 Ų6162 Ų6227%0.26532%0.315SS..Hα-helixtrans-59.4-51.6177.2-179.2174.8171.4-166.30111.7Y64 E65 A70 S71 F72 L144Y64-K68 HydrophobicContact CE1-CD 4.28Å; Y64-K68 WeakPolarHBondContact O-CB 3.32Å; Y64-K68 PolarHBondContact O-N 2.84Å; E65-K68 PolarHBondContact O-N 2.82Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 3.35Å; E65-K68 IonicContact OE2-NZ 2.92Å; K68-A70 PolarHBondContact O-N 3Å; K68-S71 WeakPolarHBondContact O-CB 3.28Å; K68-S71 PolarHBondContact O-N 3.4Å; K68-S71 VanDerWaalsContact O-N 3.14Å; K68-F72 HydrophobicContact CD-CE2 4.2Å; K68-F72 HydrophobicContact CG-CD2 3.83Å; K68-F72 HydrophobicContact CG-CE2 3.39Å; K68-F72 HydrophobicContact CG-CZ 4.5Å; K68-F72 WeakPolarHBondContact O-CD2 3.38Å; K68-F72 PolarHBondContact O-N 3.35Å; K68-L144 HydrophobicContact CB-CD1 4.14Å; K68-L144 HydrophobicContact CB-CD2 3.79Å; K68-L144 HydrophobicContact CD-CD2 4.15Å; K68-L144 HydrophobicContact CG-CD2 3.73Å
69N93.7Very high85.7Confident86 Ų8664.9 Ų64.946%0.4634%0.338SS..Hα-helixtrans-63-42178.5-71-32.7000112.1E65 S71 F72 L73E65-N69 WeakPolarHBondContact O-CB 3.24Å; E65-N69 VanDerWaalsContact O-CG 3.23Å; E65-N69 PolarHBondContact O-N 3.34Å; E65-N69 PolarHBondContact O-ND2 3.47Å; N69-S71 VanDerWaalsContact C-N 3.27Å; N69-S71 PolarHBondContact O-N 3.27Å; N69-F72 PolarHBondContact O-N 2.81Å; N69-L73 WeakPolarHBondContact O-CG 3.38Å; N69-L73 PolarHBondContact O-N 2.88Å
70A89.9Confident83.3Confident38 Ų3868.8 Ų68.831%0.31437%0.365SS..Hα-helixtrans-62.4-34.517500000112.6V66 V67 K68 R74V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 3.43Å; V67-A70 PolarHBondContact O-N 2.99Å; K68-A70 PolarHBondContact O-N 3Å; A70-R74 WeakPolarHBondContact O-CG 3.34Å; A70-R74 PolarHBondContact O-N 2.65Å
71S88.6Confident80.7Confident10 Ų1078.7 Ų78.77%0.0741%0.409CS..Hα-helixtrans-67.7-46.3175.4-168.70000111.9V67 K68 N69 R74 N75 G88 I89V67-S71 WeakPolarHBondContact O-CB 3.48Å; V67-S71 PolarHBondContact O-N 2.91Å; K68-S71 WeakPolarHBondContact O-CB 3.28Å; K68-S71 PolarHBondContact O-N 3.4Å; K68-S71 VanDerWaalsContact O-N 3.14Å; N69-S71 VanDerWaalsContact C-N 3.27Å; N69-S71 PolarHBondContact O-N 3.27Å; S71-R74 PolarHBondContact O-N 2.83Å; S71-N75 PolarHBondContact O-N 2.9Å; S71-N75 PolarHBondContact O-ND2 3.18Å; S71-G88 WeakPolarHBondContact OG-CA 3.32Å; S71-I89 PolarHBondContact OG-N 2.93Å; S71-I89 PolarHBondContact OG-O 2.82Å
72F85.2Confident78.1Confident119 Ų11982.4 Ų82.452%0.52243%0.429SS..Hα-helixtrans-61.7-47.4177.9-75.8-63.4000112.8K68 N69 R74 N75 E76K68-F72 HydrophobicContact CD-CE2 4.2Å; K68-F72 HydrophobicContact CG-CD2 3.83Å; K68-F72 HydrophobicContact CG-CE2 3.39Å; K68-F72 HydrophobicContact CG-CZ 4.5Å; K68-F72 WeakPolarHBondContact O-CD2 3.38Å; K68-F72 PolarHBondContact O-N 3.35Å; N69-F72 PolarHBondContact O-N 2.81Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 PolarHBondContact O-N 3.35Å; F72-N75 PolarHBondContact O-N 2.89Å; F72-N75 VanDerWaalsContact O-N 3.09Å; F72-E76 PolarHBondContact O-N 3.11Å; F72-E76 VanDerWaalsContact O-N 3.13Å
73L78.7Confident75.5Confident103 Ų10385.4 Ų85.454%0.53945%0.45SS..Hα-helixtrans-62.1-31.3179.7-69.7172.9000113.1N69 N77N69-L73 WeakPolarHBondContact O-CG 3.38Å; N69-L73 PolarHBondContact O-N 2.88Å; L73-N77 PolarHBondContact O-N 2.99Å; L73-N77 PolarHBondContact O-ND2 3.11Å; L73-N77 VanDerWaalsContact O-ND2 3.13Å
74R78.2Confident73.1Confident135 Ų13589 Ų8951%0.50949%0.487SS..Hα-helixtrans-69.9-40.7174.5-75.7177.1179.9-138.91111.6A70 S71 F72 E76 N77 S78A70-R74 WeakPolarHBondContact O-CG 3.34Å; A70-R74 PolarHBondContact O-N 2.65Å; S71-R74 PolarHBondContact O-N 2.83Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 PolarHBondContact O-N 3.35Å; R74-E76 PolarHBondContact O-N 3.47Å; R74-N77 PolarHBondContact O-N 3.45Å; R74-S78 PolarHBondContact O-N 3.09Å; R74-S78 PolarHBondContact O-OG 2.81Å; R74-S78 VanDerWaalsContact O-OG 3.06Å
75N72Confident70.5Confident65 Ų6592.2 Ų92.235%0.34851%0.513SS..Hα-helixtrans-66.3-35.3178.6-69.8-23.8000112.7S71 F72 G88S71-N75 PolarHBondContact O-N 2.9Å; S71-N75 PolarHBondContact O-ND2 3.18Å; F72-N75 PolarHBondContact O-N 2.89Å; F72-N75 VanDerWaalsContact O-N 3.09Å; N75-G88 WeakPolarHBondContact OD1-CA 3.33Å; N75-G88 PolarHBondContact OD1-N 3.17Å
76E70Confident68.3Low154 Ų15491.2 Ų91.272%0.7251%0.513SS*.Hα-helixtrans-69.3-38.5176.2-69.5-171.5162.400113F72 R74 S78F72-E76 PolarHBondContact O-N 3.11Å; F72-E76 VanDerWaalsContact O-N 3.13Å; R74-E76 PolarHBondContact O-N 3.47Å; E76-S78 VanDerWaalsContact C-N 3.33Å
77N61.7Low67.2Low130 Ų13092.9 Ų92.970%0.69552%0.52SS*.Hα-helixtrans-79.1-14.3-178.4-73.3-34.7000113.7L73 R74 T79L73-N77 PolarHBondContact O-N 2.99Å; L73-N77 PolarHBondContact O-ND2 3.11Å; L73-N77 VanDerWaalsContact O-ND2 3.13Å; R74-N77 PolarHBondContact O-N 3.45Å; N77-T79 PolarHBondContact O-N 2.98Å
78S58.2Low66.6Low40 Ų4092.8 Ų92.828%0.2852%0.519SS..  trans-73.689.9174.4-65.60000110.6R74 E76 S80R74-S78 PolarHBondContact O-N 3.09Å; R74-S78 PolarHBondContact O-OG 2.81Å; R74-S78 VanDerWaalsContact O-OG 3.06Å; E76-S78 VanDerWaalsContact C-N 3.33Å; S78-S80 PolarHBondContact O-N 2.92Å; S78-S80 VanDerWaalsContact O-N 3.08Å
79T54.2Low66.4Low142 Ų14290.5 Ų90.587%0.87151%0.509SS*.  trans-65.2-517150.30000114N77 K81N77-T79 PolarHBondContact O-N 2.98Å; T79-K81 PolarHBondContact O-N 2.83Å
80S48.6Very low66.4Low84 Ų8487 Ų8759%0.58749%0.491SS*.  trans-87.996.9177-810000110.9S78 V82S78-S80 PolarHBondContact O-N 2.92Å; S78-S80 VanDerWaalsContact O-N 3.08Å; S80-V82 PolarHBondContact O-N 3.05Å
81K43.1Very low66.6Low209 Ų20985.2 Ų85.291%0.90948%0.476SS*.  trans-65.839157.9-86.3-176.5174.4178.20112.1T79 T83T79-K81 PolarHBondContact O-N 2.83Å; K81-T83 PolarHBondContact O-N 2.81Å; K81-T83 VanDerWaalsContact O-N 3.16Å
82V41.7Very low67Low100 Ų10084.8 Ų84.861%0.60647%0.473SS*.  trans-77.7103.2167.2178.20000105.7S80 G84S80-V82 PolarHBondContact O-N 3.05Å; V82-G84 PolarHBondContact O-N 2.91Å
83T44.1Very low67.6Low142 Ų14279.1 Ų79.187%0.87145%0.448SS*.THydrogen-bonded Turntrans-48.2104178.950.20000110.9K81K81-T83 PolarHBondContact O-N 2.81Å; K81-T83 VanDerWaalsContact O-N 3.16Å
84G47.3Very low68.5Low75 Ų7574.3 Ų74.377%0.77342%0.423SS*.THydrogen-bonded Turntrans125.5-8.9163.900000117.6V82V82-G84 PolarHBondContact O-N 2.91Å
85C42.2Very low69.5Low102 Ų10267.9 Ų67.969%0.68940%0.399SS*.  trans-11489.9175.7-62.70000110.2D87C85-D87 PolarHBondContact O-N 2.86Å
86T52.1Low70.7Confident57 Ų5764.9 Ų64.935%0.3538%0.383SS..  trans-74119.7164.1470000108.2G88 I90T86-G88 PolarHBondContact O-N 2.99Å; T86-I90 HydrophobicContact CG2-CD1 4.39Å; T86-I90 WeakPolarHBondContact OG1-CD1 3.48Å
87D70.5Confident72Confident95 Ų9557.6 Ų57.651%0.50835%0.349SS..  trans-71-13.5171.3-86.8-28.7000112R33 C85R33-D87 PolarHBondContact NH2-O 2.79Å; C85-D87 PolarHBondContact O-N 2.86Å
88G83.3Confident73.7Confident1 Ų151.4 Ų51.41%0.0132%0.316CS..SBendtrans-56159.3169.100000113.2S71 N75 T86 I90S71-G88 WeakPolarHBondContact OG-CA 3.32Å; N75-G88 WeakPolarHBondContact OD1-CA 3.33Å; N75-G88 PolarHBondContact OD1-N 3.17Å; T86-G88 PolarHBondContact O-N 2.99Å; G88-I90 PolarHBondContact O-N 3.17Å
89I90.9Very high75.5Confident13 Ų1349.5 Ų49.57%0.06730%0.303CS..  trans-82.1116.3173.9-61.9160.8000107F34 S37 V67 S71F34-I89 HydrophobicContact CB-CG2 4.27Å; F34-I89 HydrophobicContact CD2-CG2 3.95Å; S37-I89 VanDerWaalsContact OG-CD1 3.3Å; S37-I89 WeakPolarHBondContact OG-CD1 3.36Å; V67-I89 HydrophobicContact CG1-CB 4.35Å; V67-I89 HydrophobicContact CG1-CD1 3.84Å; V67-I89 HydrophobicContact CG1-CG2 3.98Å; S71-I89 PolarHBondContact OG-N 2.93Å; S71-I89 PolarHBondContact OG-O 2.82Å
90I93Very high77.4Confident14 Ų1443.8 Ų43.87%0.07227%0.267CS..  trans-118.1139.5169-62.7178.7000106.9W24 V29 T86 G88 L144 V145 P146W24-I90 HydrophobicContact CE3-CG2 4.33Å; W24-I90 HydrophobicContact CH2-CG2 4.23Å; W24-I90 HydrophobicContact CZ3-CG2 3.89Å; V29-I90 VanDerWaalsContact CG1-O 3.3Å; V29-I90 WeakPolarHBondContact CG1-O 3.29Å; T86-I90 HydrophobicContact CG2-CD1 4.39Å; T86-I90 WeakPolarHBondContact OG1-CD1 3.48Å; G88-I90 PolarHBondContact O-N 3.17Å; I90-L144 VanDerWaalsContact CA-O 3.28Å; I90-L144 WeakPolarHBondContact CA-O 3.39Å; I90-V145 HydrophobicContact CG2-CG1 4.43Å; I90-P146 HydrophobicContact CD1-CG 3.92Å
91G95.5Very high79.6Confident0 Ų041.7 Ų41.70%025%0.247CC..EExtended strand (participates in β ladder)trans152-174.6177.300000112.2W24 F34 A143 L144W24-G91 VanDerWaalsContact CE2-CA 3.48Å; F34-G91 VanDerWaalsContact CD2-O 3.3Å; F34-G91 WeakPolarHBondContact CD2-O 3.43Å; G91-A143 CarbonylContact O-C 3.31Å; G91-A143 VanDerWaalsContact O-CA 3.29Å; G91-A143 WeakPolarHBondContact O-CA 3.46Å; G91-L144 PolarHBondContact N-O 3.18Å; G91-L144 PolarHBondContact O-N 3.4Å
92S96.9Very high81.8Confident1 Ų137.1 Ų37.11%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-148.2155.9175.9640000110.9G20 V21 W24 Q141 L142G20-S92 WeakPolarHBondContact CA-O 3.27Å; V21-S92 WeakPolarHBondContact CB-OG 3.34Å; V21-S92 WeakPolarHBondContact CG2-OG 3.3Å; V21-S92 PolarHBondContact N-O 2.97Å; W24-S92 PolarHBondContact NE1-OG 3.38Å; S92-Q141 VanDerWaalsContact CB-OE1 3.24Å; S92-Q141 PolarHBondContact OG-OE1 2.9Å; S92-L142 CarbonylContact C-O 3.55Å; S92-L142 WeakPolarHBondContact CA-O 3.49Å; S92-L142 WeakPolarHBondContact CB-O 3.48Å
93S97.6Very high84.2Confident0 Ų036.9 Ų36.90%022%0.223CC..EExtended strand (participates in β ladder)trans-156.7150-179.9-174.40000111.5A18 D19 S35 Q141 L142A18-S93 WeakPolarHBondContact CB-OG 3.44Å; D19-S93 PolarHBondContact N-OG 3Å; D19-S93 VanDerWaalsContact O-CA 3.25Å; D19-S93 WeakPolarHBondContact O-CA 3.31Å; D19-S93 PolarHBondContact O-OG 3.22Å; D19-S93 VanDerWaalsContact O-OG 3.05Å; S35-S93 VanDerWaalsContact CB-OG 3.24Å; S35-S93 WeakPolarHBondContact CB-OG 3.44Å; S93-Q141 WeakPolarHBondContact O-CA 3.49Å; S93-L142 PolarHBondContact N-O 3.39Å; S93-L142 PolarHBondContact O-N 3.24Å
94T97.9Very high86.5Confident1 Ų132 Ų321%0.00620%0.198CC..  trans-67.6159.815765.90000109.6A18 D19 L112 S115 P139A18-T94 VanDerWaalsContact CA-O 3.28Å; A18-T94 WeakPolarHBondContact CA-O 3.45Å; A18-T94 WeakPolarHBondContact CB-O 3.45Å; D19-T94 WeakPolarHBondContact CB-OG1 3.49Å; D19-T94 PolarHBondContact N-OG1 3.12Å; D19-T94 PolarHBondContact O-N 2.65Å; T94-L112 CarbonylContact C-O 3.58Å; T94-L112 VanDerWaalsContact CA-O 3.27Å; T94-L112 WeakPolarHBondContact CA-O 3.42Å; T94-L112 WeakPolarHBondContact CB-O 3.45Å; T94-S115 PolarHBondContact OG1-OG 2.93Å; T94-P139 HydrophobicContact CG2-CB 3.9Å; T94-P139 HydrophobicContact CG2-CG 4.06Å
95V98.1Very high88.7Confident0 Ų031.8 Ų31.80%018%0.184CC..EExtended strand (participates in β ladder)trans-142.7121.3174.1-179.70000109.1M38 M39 I60 I97 L112 L142M38-V95 HydrophobicContact CE-CG2 4.25Å; M39-V95 HydrophobicContact CE-CG1 3.82Å; I60-V95 HydrophobicContact CD1-CB 4.38Å; I60-V95 HydrophobicContact CD1-CG1 3.81Å; I60-V95 HydrophobicContact CG1-CG1 3.87Å; I60-V95 HydrophobicContact CG2-CG1 4.48Å; V95-I97 HydrophobicContact CG1-CD1 4Å; V95-I97 HydrophobicContact CG1-CG1 3.9Å; V95-L112 PolarHBondContact N-O 3.14Å; V95-L112 PolarHBondContact O-N 3.38Å; V95-L142 HydrophobicContact CG2-CD1 3.94Å
96C98.3Very high91.3Very high3 Ų329.4 Ų29.42%0.0216%0.163CC..EExtended strand (participates in β ladder)trans-125.3125.2172.4-169.30000107.8G16 V17 A110 N111 M176G16-C96 CarbonylContact C-O 3.56Å; G16-C96 WeakPolarHBondContact CA-O 3.33Å; V17-C96 HydrophobicContact CG2-CB 3.81Å; V17-C96 PolarHBondContact N-O 2.91Å; V17-C96 PolarHBondContact O-N 3.29Å; C96-A110 CarbonylContact C-O 3.58Å; C96-A110 WeakPolarHBondContact CA-O 3.2Å; C96-N111 VanDerWaalsContact CB-OD1 3.24Å; C96-N111 WeakPolarHBondContact CB-OD1 3.47Å; C96-N111 PolarHBondContact SG-OD1 3.05Å; C96-M176 HydrophobicContact CB-CE 3.68Å; C96-M176 WeakPolarHBondContact O-CE 3.11Å; C96-M176 WeakPolarHBondContact SG-CE 3.46Å
97I97.8Very high93.5Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-129.1141179.9-56.3178.8000108.7L14 L15 M39 C42 L56 L59 I60 V95 T109 A110L14-I97 HydrophobicContact CD1-CG2 3.64Å; L14-I97 HydrophobicContact CG-CG2 4.12Å; L15-I97 WeakPolarHBondContact O-CA 3.27Å; M39-I97 HydrophobicContact CE-CD1 4.42Å; M39-I97 HydrophobicContact CE-CG1 4.4Å; C42-I97 HydrophobicContact CB-CD1 4.5Å; C42-I97 VanDerWaalsContact SG-CD1 3.59Å; L56-I97 HydrophobicContact CD1-CG2 4.16Å; L56-I97 HydrophobicContact CD2-CG2 4.16Å; L59-I97 HydrophobicContact CD2-CD1 4.24Å; L59-I97 HydrophobicContact CD2-CG2 4.47Å; L59-I97 HydrophobicContact CG-CD1 4.47Å; I60-I97 HydrophobicContact CD1-CD1 4.39Å; I60-I97 HydrophobicContact CG1-CD1 3.71Å; I60-I97 HydrophobicContact CG1-CG1 4.47Å; V95-I97 HydrophobicContact CG1-CD1 4Å; V95-I97 HydrophobicContact CG1-CG1 3.9Å; I97-T109 WeakPolarHBondContact O-CA 3.17Å; I97-A110 PolarHBondContact N-O 3.05Å; I97-A110 PolarHBondContact O-N 3.13Å
98V97Very high94.8Very high1 Ų122.4 Ų22.41%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-132.3135174.961.60000110.5L14 L15 L100 V107 H108 T109 L117 M176L14-V98 WeakPolarHBondContact CA-O 3.2Å; L15-V98 HydrophobicContact CB-CG1 3.53Å; L15-V98 HydrophobicContact CD1-CG1 3.91Å; L15-V98 HydrophobicContact CG-CG1 3.96Å; L15-V98 PolarHBondContact N-O 3.43Å; L15-V98 PolarHBondContact O-N 3.5Å; V98-L100 HydrophobicContact CG2-CD1 4.07Å; V98-V107 HydrophobicContact CG2-CG1 3.41Å; V98-V107 VanDerWaalsContact CG2-CG1 3.41Å; V98-H108 CarbonylContact C-O 3.57Å; V98-H108 VanDerWaalsContact CA-O 3.28Å; V98-H108 WeakPolarHBondContact CA-O 3.43Å; V98-H108 WeakPolarHBondContact CG2-O 3.39Å; V98-T109 HydrophobicContact CG2-CG2 4.13Å; V98-L117 HydrophobicContact CB-CD1 4Å; V98-L117 HydrophobicContact CB-CD2 4.46Å; V98-L117 HydrophobicContact CG1-CD1 3.93Å; V98-L117 HydrophobicContact CG2-CD1 4.13Å; V98-L117 HydrophobicContact CG2-CD2 3.92Å; V98-M176 HydrophobicContact CB-CE 4.47Å; V98-M176 HydrophobicContact CG1-CE 4.06Å; V98-M176 HydrophobicContact CG1-SD 4.04Å
99A96Very high95.5Very high0 Ų022.6 Ų22.60%012%0.124CC..EExtended strand (participates in β ladder)trans-117.5117.6173.900000109.3L12 L13 L14 P53 L56 V107 H108L12-A99 HydrophobicContact CD1-CB 3.75Å; L13-A99 CarbonylContact O-C 3.6Å; L13-A99 WeakPolarHBondContact O-CA 3.46Å; L14-A99 HydrophobicContact CD1-CB 3.99Å; P53-A99 HydrophobicContact CB-CB 4.3Å; L56-A99 HydrophobicContact CD1-CB 4.02Å; L56-A99 HydrophobicContact CD2-CB 4.09Å; L56-A99 HydrophobicContact CG-CB 4.45Å; A99-V107 CarbonylContact O-C 3.54Å; A99-V107 WeakPolarHBondContact O-CA 3.18Å; A99-H108 HydrophobicContact CB-CB 4.31Å; A99-H108 PolarHBondContact N-O 3.16Å; A99-H108 PolarHBondContact O-N 2.91Å
100L94.5Very high95.8Very high22 Ų2222 Ų2212%0.11512%0.121CC..EExtended strand (participates in β ladder)trans-89.8104.4168-65.163000107.3L12 L13 L15 V98 V107 A248 V250L12-L100 WeakPolarHBondContact CA-O 3.36Å; L13-L100 HydrophobicContact CB-CB 4.12Å; L13-L100 HydrophobicContact CB-CD1 4.44Å; L13-L100 HydrophobicContact CD2-CD1 4.18Å; L13-L100 HydrophobicContact CD2-CD2 3.93Å; L13-L100 PolarHBondContact N-O 3.49Å; L13-L100 VanDerWaalsContact N-O 3.07Å; L13-L100 PolarHBondContact O-N 3.45Å; L15-L100 HydrophobicContact CD1-CD1 4.43Å; V98-L100 HydrophobicContact CG2-CD1 4.07Å; L100-V107 HydrophobicContact CG-CG2 3.96Å; L100-A248 HydrophobicContact CD2-CB 4.47Å; L100-V250 HydrophobicContact CD2-CG2 4.4Å
101E93.6Very high96.1Very high39 Ų3921.4 Ų21.418%0.18212%0.118CC..EExtended strand (participates in β ladder)trans-91.2110.4177.8-167.9-170.2153.800110.7P53 T103 A104 S105 Q106 H108P53-E101 HydrophobicContact CB-CB 4.07Å; P53-E101 HydrophobicContact CB-CG 4.19Å; P53-E101 WeakPolarHBondContact CB-OE2 3.04Å; P53-E101 HydrophobicContact CG-CB 4.48Å; P53-E101 HydrophobicContact CG-CG 4.1Å; E101-T103 VanDerWaalsContact C-N 3.34Å; E101-T103 WeakPolarHBondContact CG-OG1 3.35Å; E101-T103 PolarHBondContact O-N 3.3Å; E101-T103 PolarHBondContact OE1-OG1 3.25Å; E101-A104 HydrophobicContact CB-CB 4.34Å; E101-A104 HydrophobicContact CG-CB 4.17Å; E101-S105 PolarHBondContact O-N 2.9Å; E101-Q106 PolarHBondContact N-O 3.07Å; E101-Q106 PolarHBondContact O-N 3.13Å; E101-H108 IonicContact OE2-NE2 3.64Å; E101-H108 PolarHBondContact OE2-NE2 2.98Å
102R90Very high96.2Very high113 Ų11321.4 Ų21.443%0.42612%0.118SC..THydrogen-bonded Turntrans-64.9-37.3-179.5-179-175.4-63.5-71.4-1.2112.6Y11 S105Y11-R102 VanDerWaalsContact O-CB 3.26Å; Y11-R102 WeakPolarHBondContact O-CB 3.26Å; Y11-R102 PolarHBondContact O-N 3.48Å; R102-S105 PolarHBondContact O-N 2.86Å
103T91Very high96.3Very high96 Ų9621.3 Ų21.359%0.58912%0.117SC*.THydrogen-bonded Turntrans-70.6-34.3-174.631.40000112.7Y11 E101Y11-T103 HydrophobicContact CD1-CG2 4.17Å; Y11-T103 HydrophobicContact CG-CG2 4.35Å; E101-T103 VanDerWaalsContact C-N 3.34Å; E101-T103 WeakPolarHBondContact CG-OG1 3.35Å; E101-T103 PolarHBondContact O-N 3.3Å; E101-T103 PolarHBondContact OE1-OG1 3.25Å
104A93.5Very high96.2Very high40 Ų4021.9 Ų21.933%0.33112%0.12SC..THydrogen-bonded Turntrans-90.4-15.217600000113.4E101 Q106E101-A104 HydrophobicContact CB-CB 4.34Å; E101-A104 HydrophobicContact CG-CB 4.17Å; A104-Q106 VanDerWaalsContact C-N 3.26Å; A104-Q106 HydrophobicContact CB-CB 4.06Å; A104-Q106 HydrophobicContact CB-CG 3.99Å
105S93.9Very high96.2Very high69 Ų6921.9 Ų21.948%0.48312%0.12SC..THydrogen-bonded Turntrans55.143.6-165.8-60.90000111.7E101 R102 V168E101-S105 PolarHBondContact O-N 2.9Å; R102-S105 PolarHBondContact O-N 2.86Å; S105-V168 WeakPolarHBondContact O-CG2 3.37Å; S105-V168 PolarHBondContact O-N 2.88Å
106Q96.5Very high96.2Very high52 Ų5222 Ų2224%0.24312%0.122CC..EExtended strand (participates in β ladder)trans-128.4151.1-176.3-68.6-168.9-48.300112.1E101 A104 H108 V166 D167E101-Q106 PolarHBondContact N-O 3.07Å; E101-Q106 PolarHBondContact O-N 3.13Å; A104-Q106 VanDerWaalsContact C-N 3.26Å; A104-Q106 HydrophobicContact CB-CB 4.06Å; A104-Q106 HydrophobicContact CB-CG 3.99Å; Q106-H108 PolarHBondContact OE1-CE1 2.81Å; Q106-V166 CarbonylContact C-O 3.6Å; Q106-V166 WeakPolarHBondContact CA-O 3.31Å; Q106-D167 WeakPolarHBondContact CG-OD1 3.34Å; Q106-D167 PolarHBondContact NE2-OD1 2.87Å
107V97Very high96.1Very high1 Ų121.9 Ų21.91%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-106117.6165.31710000108.1V98 A99 L100 T109 L117 S165 V166 V168 V174V98-V107 HydrophobicContact CG2-CG1 3.41Å; V98-V107 VanDerWaalsContact CG2-CG1 3.41Å; A99-V107 CarbonylContact O-C 3.54Å; A99-V107 WeakPolarHBondContact O-CA 3.18Å; L100-V107 HydrophobicContact CG-CG2 3.96Å; V107-T109 HydrophobicContact CG1-CG2 3.99Å; V107-L117 HydrophobicContact CG1-CD2 4.18Å; V107-S165 CarbonylContact O-C 3.5Å; V107-S165 VanDerWaalsContact O-CA 3.32Å; V107-S165 WeakPolarHBondContact O-CA 3.42Å; V107-V166 PolarHBondContact N-O 3.39Å; V107-V166 PolarHBondContact O-N 3.39Å; V107-V168 HydrophobicContact CB-CG1 4.05Å; V107-V168 HydrophobicContact CG2-CB 4.38Å; V107-V168 HydrophobicContact CG2-CG1 3.43Å; V107-V168 VanDerWaalsContact CG2-CG1 3.43Å; V107-V168 HydrophobicContact CG2-CG2 4.1Å; V107-V174 HydrophobicContact CG2-CG2 4.35Å
108H97.6Very high96.2Very high5 Ų522.1 Ų22.12%0.02312%0.122CC..EExtended strand (participates in β ladder)trans-99.5142.8171.7-48.9-79.7000109.4P53 L56 V98 A99 E101 Q106 N164 S165P53-H108 WeakPolarHBondContact O-CB 3.1Å; P53-H108 PolarHBondContact O-CD2 2.91Å; P53-H108 VanDerWaalsContact O-CG 3.23Å; L56-H108 HydrophobicContact CD1-CB 4.06Å; L56-H108 WeakPolarHBondContact CD1-O 3.35Å; L56-H108 HydrophobicContact CG-CB 4.44Å; V98-H108 CarbonylContact C-O 3.57Å; V98-H108 VanDerWaalsContact CA-O 3.28Å; V98-H108 WeakPolarHBondContact CA-O 3.43Å; V98-H108 WeakPolarHBondContact CG2-O 3.39Å; A99-H108 HydrophobicContact CB-CB 4.31Å; A99-H108 PolarHBondContact N-O 3.16Å; A99-H108 PolarHBondContact O-N 2.91Å; E101-H108 IonicContact OE2-NE2 3.64Å; E101-H108 PolarHBondContact OE2-NE2 2.98Å; Q106-H108 PolarHBondContact OE1-CE1 2.81Å; H108-N164 CarbonylContact C-O 3.55Å; H108-N164 WeakPolarHBondContact CA-O 3.36Å; H108-S165 PolarHBondContact ND1-OG 3.24Å
109T97.9Very high96.2Very high5 Ų522.1 Ų22.13%0.03112%0.122CC..EExtended strand (participates in β ladder)trans-134.3146.5-176.864.30000110.3I97 V98 V107 L117 W127 V163 N164I97-T109 WeakPolarHBondContact O-CA 3.17Å; V98-T109 HydrophobicContact CG2-CG2 4.13Å; V107-T109 HydrophobicContact CG1-CG2 3.99Å; T109-L117 HydrophobicContact CG2-CD2 3.57Å; T109-W127 HydrophobicContact CG2-CH2 4.02Å; T109-W127 HydrophobicContact CG2-CZ3 4.03Å; T109-V163 VanDerWaalsContact O-CA 3.23Å; T109-V163 WeakPolarHBondContact O-CA 3.3Å; T109-N164 PolarHBondContact N-O 3.41Å; T109-N164 PolarHBondContact O-N 3.07Å; T109-N164 VanDerWaalsContact O-N 3.16Å; T109-N164 WeakPolarHBondContact OG1-CB 3.32Å; T109-N164 PolarHBondContact OG1-N 3.49Å; T109-N164 PolarHBondContact OG1-O 3.49Å
110A98.2Very high96.3Very high0 Ų022.2 Ų22.20%012%0.122CC..EExtended strand (participates in β ladder)trans-135.1118.5162.800000108.5L56 I60 C96 I97 D162 V163L56-A110 HydrophobicContact CB-CB 3.53Å; I60-A110 HydrophobicContact CD1-CB 3.64Å; C96-A110 CarbonylContact C-O 3.58Å; C96-A110 WeakPolarHBondContact CA-O 3.2Å; I97-A110 PolarHBondContact N-O 3.05Å; I97-A110 PolarHBondContact O-N 3.13Å; A110-D162 CarbonylContact C-O 3.52Å; A110-D162 VanDerWaalsContact CA-O 3.31Å; A110-D162 WeakPolarHBondContact CA-O 3.11Å; A110-V163 HydrophobicContact CB-CG1 3.97Å
111N98.5Very high96.4Very high1 Ų124.4 Ų24.41%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-120.2124.4-179.8-167.443.3000111C96 G113 S115 T130 Q132 A161 D162C96-N111 VanDerWaalsContact CB-OD1 3.24Å; C96-N111 WeakPolarHBondContact CB-OD1 3.47Å; C96-N111 PolarHBondContact SG-OD1 3.05Å; N111-G113 PolarHBondContact ND2-O 3.5Å; N111-S115 PolarHBondContact ND2-O 3.22Å; N111-S115 PolarHBondContact OD1-O 3.02Å; N111-T130 PolarHBondContact ND2-O 3.33Å; N111-T130 VanDerWaalsContact ND2-O 3.11Å; N111-Q132 PolarHBondContact O-OE1 3.09Å; N111-Q132 VanDerWaalsContact O-OE1 3.14Å; N111-A161 CarbonylContact O-C 3.34Å; N111-A161 WeakPolarHBondContact O-CA 3.48Å; N111-D162 PolarHBondContact N-O 2.93Å; N111-D162 PolarHBondContact O-N 3.35Å
112L98.5Very high96.4Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-125.698.1172.1-167.1156.9000108.4T94 V95 F140 Q141 L142 A161T94-L112 CarbonylContact C-O 3.58Å; T94-L112 VanDerWaalsContact CA-O 3.27Å; T94-L112 WeakPolarHBondContact CA-O 3.42Å; T94-L112 WeakPolarHBondContact CB-O 3.45Å; V95-L112 PolarHBondContact N-O 3.14Å; V95-L112 PolarHBondContact O-N 3.38Å; L112-F140 HydrophobicContact CD2-CB 4.11Å; L112-F140 HydrophobicContact CG-CB 4.46Å; L112-Q141 VanDerWaalsContact CD2-CA 3.45Å; L112-L142 HydrophobicContact CD1-CD2 3.65Å; L112-L142 HydrophobicContact CD1-CG 4.05Å; L112-L142 HydrophobicContact CD2-CD2 4.47Å; L112-L142 HydrophobicContact CD2-CG 4.22Å; L112-A161 HydrophobicContact CB-CB 4.1Å; L112-A161 HydrophobicContact CD1-CB 4.31Å
113G98.2Very high96.5Very high0 Ų025.2 Ų25.20%015%0.147CC..SBendtrans119.9-159.4-17800000114.2N111 Q132 F140N111-G113 PolarHBondContact ND2-O 3.5Å; G113-Q132 CarbonylContact C-O 3.56Å; G113-Q132 WeakPolarHBondContact CA-O 3.4Å; G113-Q132 PolarHBondContact O-N 3.2Å; G113-F140 WeakPolarHBondContact CA-O 3.45Å
114D96.8Very high96.7Very high11 Ų1127.2 Ų27.26%0.05915%0.149CC..SBendtrans-109.59.9-174.958.5-0.4000114.6A131 Q133 P139D114-A131 HydrophobicContact CB-CB 4.34Å; D114-Q133 HydrophobicContact CB-CG 3.86Å; D114-Q133 PolarHBondContact OD2-NE2 2.9Å; D114-P139 HydrophobicContact CB-CB 4.3Å; D114-P139 WeakPolarHBondContact OD1-CB 3.49Å
115S97.5Very high97Very high1 Ų128.2 Ų28.21%0.00715%0.149CC..  trans-64.5170.8149.6-62.10000109.6T94 N111 G177T94-S115 PolarHBondContact OG1-OG 2.93Å; N111-S115 PolarHBondContact ND2-O 3.22Å; N111-S115 PolarHBondContact OD1-O 3.02Å; S115-G177 WeakPolarHBondContact CB-O 3.45Å
116G97.4Very high97.1Very high3 Ų328.7 Ų28.73%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-175.9178.8-175.600000115.8S129 M176 G177G116-S129 VanDerWaalsContact CA-OG 3.23Å; G116-S129 WeakPolarHBondContact CA-OG 3.3Å; G116-M176 WeakPolarHBondContact O-CA 2.92Å; G116-G177 PolarHBondContact N-O 2.86Å; G116-G177 PolarHBondContact O-N 2.85Å
117L97.6Very high97.2Very high1 Ų128.8 Ų28.81%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-131140.6-176.6-161.987000110.1V98 V107 T109 W127 Q128 S129 V174 V175 M176V98-L117 HydrophobicContact CB-CD1 4Å; V98-L117 HydrophobicContact CB-CD2 4.46Å; V98-L117 HydrophobicContact CG1-CD1 3.93Å; V98-L117 HydrophobicContact CG2-CD1 4.13Å; V98-L117 HydrophobicContact CG2-CD2 3.92Å; V107-L117 HydrophobicContact CG1-CD2 4.18Å; T109-L117 HydrophobicContact CG2-CD2 3.57Å; L117-W127 HydrophobicContact CB-CZ3 4.2Å; L117-W127 HydrophobicContact CD2-CE3 4.46Å; L117-W127 HydrophobicContact CD2-CZ3 3.84Å; L117-Q128 WeakPolarHBondContact O-CA 3.38Å; L117-S129 PolarHBondContact N-OG 2.85Å; L117-S129 PolarHBondContact O-N 3.36Å; L117-S129 PolarHBondContact O-OG 3.48Å; L117-V174 HydrophobicContact CD1-CG1 3.37Å; L117-V174 HydrophobicContact CD2-CG1 4.04Å; L117-V174 HydrophobicContact CG-CG1 3.86Å; L117-V175 CarbonylContact C-O 3.5Å; L117-V175 WeakPolarHBondContact CA-O 3.47Å; L117-M176 HydrophobicContact CD1-CB 3.72Å; L117-M176 HydrophobicContact CD1-CG 3.94Å
118L98.4Very high97.3Very high5 Ų533.4 Ų33.43%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-120.8135.7167.1-55.2177.9000108.4F120 L125 Q128 V174 V175 F182 V187 I190L118-F120 HydrophobicContact CB-CD2 4.2Å; L118-F120 HydrophobicContact CB-CE2 3.4Å; L118-F120 HydrophobicContact CB-CZ 3.81Å; L118-F120 HydrophobicContact CD1-CE2 4.03Å; L118-F120 HydrophobicContact CD1-CZ 3.78Å; L118-F120 HydrophobicContact CG-CE2 4.37Å; L118-F120 HydrophobicContact CG-CZ 4.43Å; L118-L125 HydrophobicContact CB-CD1 4.13Å; L118-L125 HydrophobicContact CD2-CD1 4.09Å; L118-Q128 HydrophobicContact CD2-CB 3.45Å; L118-Q128 VanDerWaalsContact CD2-CB 3.45Å; L118-V174 WeakPolarHBondContact O-CA 3.48Å; L118-V175 HydrophobicContact CB-CB 4.43Å; L118-V175 PolarHBondContact N-O 3.03Å; L118-V175 PolarHBondContact O-N 2.83Å; L118-F182 HydrophobicContact CD1-CE1 3.88Å; L118-F182 HydrophobicContact CD2-CE1 4.27Å; L118-F182 HydrophobicContact CG-CE1 3.89Å; L118-F182 HydrophobicContact CG-CZ 4.42Å; L118-V187 HydrophobicContact CD1-CG1 4.18Å; L118-V187 HydrophobicContact CD1-CG2 4.37Å; L118-V187 HydrophobicContact CD2-CG1 4.47Å; L118-V187 HydrophobicContact CD2-CG2 4.3Å; L118-I190 HydrophobicContact CD1-CB 4.25Å; L118-I190 HydrophobicContact CD1-CD1 3.59Å; L118-I190 HydrophobicContact CD1-CG2 4Å
119L98.3Very high97.3Very high1 Ų134 Ų341%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-114.7127.1173.6179.267.4000108.1L126 W127 V166 V168 D172 C173 V174L119-L126 HydrophobicContact CD2-CD2 3.72Å; L119-L126 HydrophobicContact CD2-CG 4.28Å; L119-L126 HydrophobicContact CG-CB 4.37Å; L119-L126 HydrophobicContact CG-CD2 4.13Å; L119-L126 WeakPolarHBondContact O-CA 3.45Å; L119-L126 WeakPolarHBondContact O-CB 3.23Å; L119-L126 PolarHBondContact O-N 2.86Å; L119-W127 HydrophobicContact CB-CB 4.19Å; L119-W127 HydrophobicContact CB-CE3 4.47Å; L119-W127 HydrophobicContact CD2-CB 4.34Å; L119-W127 PolarHBondContact N-O 3.22Å; L119-W127 PolarHBondContact O-N 3.2Å; L119-W127 VanDerWaalsContact O-N 3.12Å; L119-V166 HydrophobicContact CD2-CB 4.18Å; L119-V166 HydrophobicContact CD2-CG1 3.61Å; L119-V168 HydrophobicContact CD1-CG1 3.95Å; L119-V168 HydrophobicContact CD2-CG1 3.97Å; L119-D172 HydrophobicContact CD1-CB 4.17Å; L119-C173 WeakPolarHBondContact CA-O 3.31Å; L119-V174 HydrophobicContact CD1-CG2 3.84Å
120F98.2Very high97.2Very high1 Ų138.1 Ų38.10%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-119.3145.5-178.9-61.8-90.6000110.7L118 E124 L125 D172 C173 V175 I190 E191 V194L118-F120 HydrophobicContact CB-CD2 4.2Å; L118-F120 HydrophobicContact CB-CE2 3.4Å; L118-F120 HydrophobicContact CB-CZ 3.81Å; L118-F120 HydrophobicContact CD1-CE2 4.03Å; L118-F120 HydrophobicContact CD1-CZ 3.78Å; L118-F120 HydrophobicContact CG-CE2 4.37Å; L118-F120 HydrophobicContact CG-CZ 4.43Å; F120-E124 CarbonylContact C-O 3.56Å; F120-E124 WeakPolarHBondContact CA-O 3.37Å; F120-L125 HydrophobicContact CD1-CB 4.26Å; F120-L125 HydrophobicContact CD1-CD1 4.3Å; F120-L125 HydrophobicContact CE1-CB 4.1Å; F120-L125 HydrophobicContact CE1-CD1 3.86Å; F120-L125 HydrophobicContact CZ-CD1 4.07Å; F120-D172 CarbonylContact O-C 3.58Å; F120-D172 VanDerWaalsContact O-CA 3.28Å; F120-D172 WeakPolarHBondContact O-CA 3.5Å; F120-C173 HydrophobicContact CB-CB 4.4Å; F120-C173 PolarHBondContact N-O 2.87Å; F120-C173 PolarHBondContact O-N 3.2Å; F120-V175 HydrophobicContact CD2-CG2 4.22Å; F120-V175 HydrophobicContact CE2-CB 4.15Å; F120-V175 HydrophobicContact CE2-CG2 3.92Å; F120-I190 HydrophobicContact CE2-CG2 4.06Å; F120-I190 HydrophobicContact CZ-CB 4.33Å; F120-I190 HydrophobicContact CZ-CG2 3.81Å; F120-E191 HydrophobicContact CD1-CG 4.21Å; F120-E191 HydrophobicContact CE1-CB 3.81Å; F120-E191 HydrophobicContact CE1-CG 3.97Å; F120-V194 HydrophobicContact CB-CG1 3.76Å; F120-V194 HydrophobicContact CD1-CB 4.46Å; F120-V194 HydrophobicContact CD1-CG1 4.37Å; F120-V194 HydrophobicContact CD2-CB 4.41Å; F120-V194 HydrophobicContact CD2-CG1 4.16Å; F120-V194 HydrophobicContact CD2-CG2 3.84Å; F120-V194 HydrophobicContact CE2-CG2 3.84Å; F120-V194 HydrophobicContact CG-CB 4.29Å; F120-V194 HydrophobicContact CG-CG1 3.86Å; F120-V194 HydrophobicContact CG-CG2 4.21Å; F120-V194 HydrophobicContact CZ-CG2 4.24Å
121R96Very high97.1Very high68 Ų6840.9 Ų40.926%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-132.5130.1172.8178.4169.2-62.6-178.35.5109G123 E124 L126 D169 D172R121-G123 PolarHBondContact O-N 3.22Å; R121-E124 PolarHBondContact N-O 2.8Å; R121-E124 PolarHBondContact O-N 3.12Å; R121-L126 HydrophobicContact CB-CB 4.32Å; R121-L126 HydrophobicContact CB-CD2 4.27Å; R121-D169 IonicContact CZ-OD2 2.72Å; R121-D169 IonicContact NH1-OD2 3.35Å; R121-D169 PolarHBondContact NH1-OD2 3.18Å; R121-D169 IonicContact NH2-OD2 3.68Å; R121-D169 PolarHBondContact NH2-OD2 3.16Å; R121-D172 WeakPolarHBondContact CB-OD1 2.96Å; R121-D172 VanDerWaalsContact CG-OD1 3.27Å; R121-D172 WeakPolarHBondContact CG-OD1 3.37Å; R121-D172 IonicContact CZ-OD1 3.28Å; R121-D172 IonicContact CZ-OD2 3.93Å; R121-D172 IonicContact NE-OD1 3.18Å; R121-D172 PolarHBondContact NE-OD1 3.06Å; R121-D172 IonicContact NE-OD2 2.59Å; R121-D172 PolarHBondContact NE-OD2 2.86Å; R121-D172 IonicContact NH2-OD1 3.18Å; R121-D172 IonicContact NH2-OD2 3.1Å; R121-D172 PolarHBondContact NH2-OD2 2.82Å
122D93.7Very high97.1Very high155 Ų15542.3 Ų42.383%0.82923%0.225SC*.THydrogen-bonded Turntrans51.531.7-179.1-61.9-44.9000113.8E124D122-E124 VanDerWaalsContact C-N 3.34Å
123G91.5Very high96.9Very high15 Ų1544.6 Ų44.616%0.15524%0.236CC..THydrogen-bonded Turntrans83.6-1.6-179.100000115.4R121 E191R121-G123 PolarHBondContact O-N 3.22Å; G123-E191 WeakPolarHBondContact O-CG 3.35Å
124E96.5Very high96.8Very high137 Ų13748.7 Ų48.764%0.6425%0.254SS*.EExtended strand (participates in β ladder)trans-106148.8178.2-62.2-173.7169.200111.3F120 R121 D122 L126F120-E124 CarbonylContact C-O 3.56Å; F120-E124 WeakPolarHBondContact CA-O 3.37Å; R121-E124 PolarHBondContact N-O 2.8Å; R121-E124 PolarHBondContact O-N 3.12Å; D122-E124 VanDerWaalsContact C-N 3.34Å; E124-L126 PolarHBondContact O-N 3.08Å
125L98.1Very high96.6Very high61 Ų6155.1 Ų55.132%0.31928%0.284SS..EExtended strand (participates in β ladder)trans-65.7116.9175.4-176.173.7000111L118 F120 W127 Q128 V187 E191L118-L125 HydrophobicContact CB-CD1 4.13Å; L118-L125 HydrophobicContact CD2-CD1 4.09Å; F120-L125 HydrophobicContact CD1-CB 4.26Å; F120-L125 HydrophobicContact CD1-CD1 4.3Å; F120-L125 HydrophobicContact CE1-CB 4.1Å; F120-L125 HydrophobicContact CE1-CD1 3.86Å; F120-L125 HydrophobicContact CZ-CD1 4.07Å; L125-W127 WeakPolarHBondContact CD1-O 3.41Å; L125-Q128 HydrophobicContact CD1-CB 4.48Å; L125-V187 HydrophobicContact CD1-CG1 4.08Å; L125-V187 HydrophobicContact CD2-CG1 3.84Å; L125-V187 HydrophobicContact CG-CG1 4.41Å; L125-E191 PolarHBondContact N-OE2 3.06Å
126L97.8Very high96.1Very high80 Ų8057.3 Ų57.342%0.41930%0.302SS..EExtended strand (participates in β ladder)trans-89.9-45174.9177.561.7000111.6L119 R121 E124L119-L126 HydrophobicContact CD2-CD2 3.72Å; L119-L126 HydrophobicContact CD2-CG 4.28Å; L119-L126 HydrophobicContact CG-CB 4.37Å; L119-L126 HydrophobicContact CG-CD2 4.13Å; L119-L126 WeakPolarHBondContact O-CA 3.45Å; L119-L126 WeakPolarHBondContact O-CB 3.23Å; L119-L126 PolarHBondContact O-N 2.86Å; R121-L126 HydrophobicContact CB-CB 4.32Å; R121-L126 HydrophobicContact CB-CD2 4.27Å; E124-L126 PolarHBondContact O-N 3.08Å
127W98.2Very high95.7Very high53 Ų5360 Ų6020%0.20132%0.316CS..EExtended strand (participates in β ladder)trans-155.1152.9-176.4-179.589000111.4T109 L117 L119 L125 S129 N164 V166T109-W127 HydrophobicContact CG2-CH2 4.02Å; T109-W127 HydrophobicContact CG2-CZ3 4.03Å; L117-W127 HydrophobicContact CB-CZ3 4.2Å; L117-W127 HydrophobicContact CD2-CE3 4.46Å; L117-W127 HydrophobicContact CD2-CZ3 3.84Å; L119-W127 HydrophobicContact CB-CB 4.19Å; L119-W127 HydrophobicContact CB-CE3 4.47Å; L119-W127 HydrophobicContact CD2-CB 4.34Å; L119-W127 PolarHBondContact N-O 3.22Å; L119-W127 PolarHBondContact O-N 3.2Å; L119-W127 VanDerWaalsContact O-N 3.12Å; L125-W127 WeakPolarHBondContact CD1-O 3.41Å; W127-S129 VanDerWaalsContact CH2-CA 3.41Å; W127-N164 HydrophobicContact CH2-CB 4.2Å; W127-N164 HydrophobicContact CZ2-CB 3.65Å; W127-V166 HydrophobicContact CD2-CG2 3.92Å; W127-V166 HydrophobicContact CE3-CG2 4.41Å; W127-V166 HydrophobicContact CG-CG2 4.02Å
128Q97.9Very high95.5Very high99 Ų9962.1 Ų62.146%0.46333%0.329SS..EExtended strand (participates in β ladder)trans-140145.6172.462.5177.315.500110.9L117 L118 L125L117-Q128 WeakPolarHBondContact O-CA 3.38Å; L118-Q128 HydrophobicContact CD2-CB 3.45Å; L118-Q128 VanDerWaalsContact CD2-CB 3.45Å; L125-Q128 HydrophobicContact CD1-CB 4.48Å
129S97.6Very high95.4Very high16 Ų1662.7 Ų62.711%0.11233%0.333CS..PPolyproline II helixtrans-68.9147.9173.462.20000111.4G116 L117 W127G116-S129 VanDerWaalsContact CA-OG 3.23Å; G116-S129 WeakPolarHBondContact CA-OG 3.3Å; L117-S129 PolarHBondContact N-OG 2.85Å; L117-S129 PolarHBondContact O-N 3.36Å; L117-S129 PolarHBondContact O-OG 3.48Å; W127-S129 VanDerWaalsContact CH2-CA 3.41Å
130T96.2Very high95.4Very high93 Ų9364.9 Ų64.957%0.57134%0.343SS*.PPolyproline II helixtrans-77.9124.6172.8-54.20000110.3N111N111-T130 PolarHBondContact ND2-O 3.33Å; N111-T130 VanDerWaalsContact ND2-O 3.11Å
131A96.5Very high95.4Very high58 Ų5865.5 Ų65.548%0.47935%0.345SS..PPolyproline II helixtrans-70.7130.5170.600000110.3D114D114-A131 HydrophobicContact CB-CB 4.34Å
132Q97.6Very high95.5Very high31 Ų3162.3 Ų62.315%0.14533%0.333CS..  trans-104.7114.6179.8-61.4-173.6-37.200110.7N111 G113 F140 A160N111-Q132 PolarHBondContact O-OE1 3.09Å; N111-Q132 VanDerWaalsContact O-OE1 3.14Å; G113-Q132 CarbonylContact C-O 3.56Å; G113-Q132 WeakPolarHBondContact CA-O 3.4Å; G113-Q132 PolarHBondContact O-N 3.2Å; Q132-F140 HydrophobicContact CB-CB 3.9Å; Q132-F140 HydrophobicContact CB-CD2 3.72Å; Q132-F140 HydrophobicContact CB-CE2 4.4Å; Q132-F140 HydrophobicContact CB-CG 3.82Å; Q132-F140 PolarHBondContact O-N 3.38Å; Q132-A160 PolarHBondContact NE2-O 2.9Å
133Q95.9Very high95.6Very high47 Ų4755 Ų5522%0.2230%0.295CS..EExtended strand (participates in β ladder)trans-137.2140.9177.6-54.3-172.5-70.300110.1D114 E135 V138D114-Q133 HydrophobicContact CB-CG 3.86Å; D114-Q133 PolarHBondContact OD2-NE2 2.9Å; Q133-E135 WeakPolarHBondContact CB-O 3.2Å; Q133-V138 CarbonylContact C-O 3.51Å; Q133-V138 WeakPolarHBondContact CA-O 3.39Å
134H95.3Very high95.8Very high86 Ų8655.1 Ų55.140%0.39829%0.292SS..EExtended strand (participates in β ladder)trans-72.2-44.3171.1-68.5-76.9000110.8V138 F140 D156H134-V138 HydrophobicContact CB-CG1 4.19Å; H134-V138 PolarHBondContact N-O 3.38Å; H134-F140 AromaticContact CD2-CD2 3.91Å; H134-F140 AromaticContact CE1-CE1 3.98Å; H134-F140 AromaticContact CE1-CE2 3.8Å; H134-F140 AromaticContact CE1-CZ 3.72Å; H134-F140 AromaticContact ND1-CE2 3.88Å; H134-F140 AromaticContact NE2-CD2 3.81Å; H134-F140 AromaticContact NE2-CE2 3.96Å; H134-F140 AromaticContact NE2-CG 3.92Å; H134-D156 IonicContact CD2-OD2 2.7Å; H134-D156 IonicContact CE1-OD1 3.05Å; H134-D156 PolarHBondContact CE1-OD1 3.32Å; H134-D156 IonicContact CE1-OD2 3.88Å; H134-D156 VanDerWaalsContact NE2-CG 3.29Å; H134-D156 IonicContact NE2-OD1 2.92Å; H134-D156 PolarHBondContact NE2-OD1 2.83Å; H134-D156 IonicContact NE2-OD2 3.88Å; H134-D156 PolarHBondContact NE2-OD2 2.95Å
135E91.5Very high95.5Very high147 Ų14750.2 Ų50.269%0.68727%0.271SS*.EExtended strand (participates in β ladder)trans-142.2170.9174.5-64.3-178.6-154.500108.9Q133 N137 V138Q133-E135 WeakPolarHBondContact CB-O 3.2Å; E135-N137 PolarHBondContact O-N 2.87Å; E135-N137 VanDerWaalsContact O-N 3.11Å; E135-V138 HydrophobicContact CB-CB 4.16Å; E135-V138 HydrophobicContact CB-CG2 4.08Å; E135-V138 PolarHBondContact O-N 2.97Å
136A88.3Confident94.8Very high46 Ų4648.9 Ų48.938%0.3827%0.266SS..THydrogen-bonded Turntrans-53.6123.4175.700000110.9V138 K232 F233A136-V138 PolarHBondContact O-N 3.39Å; A136-K232 HydrophobicContact CB-CB 4.38Å; A136-F233 HydrophobicContact CB-CE1 4.22Å; A136-F233 HydrophobicContact CB-CE2 4.47Å; A136-F233 HydrophobicContact CB-CZ 3.84Å; A136-F233 WeakPolarHBondContact O-CZ 3.41Å
137N87.7Confident93.9Very high61 Ų6152.8 Ų52.833%0.32628%0.282SS..THydrogen-bonded Turntrans62.623.3-178.4-161.285.7000114.4E135 F233 K239E135-N137 PolarHBondContact O-N 2.87Å; E135-N137 VanDerWaalsContact O-N 3.11Å; N137-F233 HydrophobicContact CB-CE2 3.68Å; N137-F233 HydrophobicContact CB-CZ 3.38Å; N137-K239 WeakPolarHBondContact OD1-CE 3Å; N137-K239 PolarHBondContact OD1-NZ 2.77Å
138V93.7Very high93.3Very high45 Ų4556.6 Ų56.627%0.27331%0.307SS..EExtended strand (participates in β ladder)trans-121.885.1170-175.20000107.4Q133 H134 E135 A136 I154Q133-V138 CarbonylContact C-O 3.51Å; Q133-V138 WeakPolarHBondContact CA-O 3.39Å; H134-V138 HydrophobicContact CB-CG1 4.19Å; H134-V138 PolarHBondContact N-O 3.38Å; E135-V138 HydrophobicContact CB-CB 4.16Å; E135-V138 HydrophobicContact CB-CG2 4.08Å; E135-V138 PolarHBondContact O-N 2.97Å; A136-V138 PolarHBondContact O-N 3.39Å; V138-I154 HydrophobicContact CG1-CD1 3.28Å
139P96.8Very high92.6Very high17 Ų1757.1 Ų57.111%0.1131%0.309CS..EExtended strand (participates in β ladder)trans-70.2156.3-176.227.6-33.7000112.4T94 D114 Q141T94-P139 HydrophobicContact CG2-CB 3.9Å; T94-P139 HydrophobicContact CG2-CG 4.06Å; D114-P139 HydrophobicContact CB-CB 4.3Å; D114-P139 WeakPolarHBondContact OD1-CB 3.49Å; P139-Q141 PolarHBondContact O-NE2 3.49Å; P139-Q141 VanDerWaalsContact O-NE2 3.1Å
140F98.4Very high92Very high47 Ų4758.2 Ų58.221%0.20631%0.311CS..  trans-58.6138.3157.8-82.1-118.3000108.9L112 G113 Q132 H134 D156 A160L112-F140 HydrophobicContact CD2-CB 4.11Å; L112-F140 HydrophobicContact CG-CB 4.46Å; G113-F140 WeakPolarHBondContact CA-O 3.45Å; Q132-F140 HydrophobicContact CB-CB 3.9Å; Q132-F140 HydrophobicContact CB-CD2 3.72Å; Q132-F140 HydrophobicContact CB-CE2 4.4Å; Q132-F140 HydrophobicContact CB-CG 3.82Å; Q132-F140 PolarHBondContact O-N 3.38Å; H134-F140 AromaticContact CD2-CD2 3.91Å; H134-F140 AromaticContact CE1-CE1 3.98Å; H134-F140 AromaticContact CE1-CE2 3.8Å; H134-F140 AromaticContact CE1-CZ 3.72Å; H134-F140 AromaticContact ND1-CE2 3.88Å; H134-F140 AromaticContact NE2-CD2 3.81Å; H134-F140 AromaticContact NE2-CE2 3.96Å; H134-F140 AromaticContact NE2-CG 3.92Å; F140-D156 WeakPolarHBondContact CA-OD2 3.48Å; F140-D156 HydrophobicContact CD1-CB 4.06Å; F140-A160 HydrophobicContact CD1-CB 4.12Å; F140-A160 HydrophobicContact CE1-CB 4.25Å
141Q98Very high91.4Very high14 Ų1458.5 Ų58.57%0.06531%0.314CS..  trans-155141.6-175.963.9-162.6-90.500111.7S92 S93 L112 P139 I154 D156S92-Q141 VanDerWaalsContact CB-OE1 3.24Å; S92-Q141 PolarHBondContact OG-OE1 2.9Å; S93-Q141 WeakPolarHBondContact O-CA 3.49Å; L112-Q141 VanDerWaalsContact CD2-CA 3.45Å; P139-Q141 PolarHBondContact O-NE2 3.49Å; P139-Q141 VanDerWaalsContact O-NE2 3.1Å; Q141-I154 HydrophobicContact CG-CB 4.28Å; Q141-I154 HydrophobicContact CG-CG2 3.92Å; Q141-D156 PolarHBondContact N-OD2 2.8Å; Q141-D156 WeakPolarHBondContact O-CB 3.03Å; Q141-D156 PolarHBondContact O-N 3.03Å
142L98.1Very high90.9Very high0 Ų063.2 Ų63.20%033%0.331CS..EExtended strand (participates in β ladder)trans-75.1146.7164.4-60.1178.8000108.7F34 M38 I60 Y64 S92 S93 V95 L112 D156 P158F34-L142 HydrophobicContact CE1-CB 4.03Å; F34-L142 HydrophobicContact CZ-CB 3.9Å; M38-L142 HydrophobicContact CE-CD1 3.53Å; M38-L142 HydrophobicContact SD-CD1 4.22Å; I60-L142 HydrophobicContact CG2-CD1 3.75Å; Y64-L142 HydrophobicContact CD2-CB 4.17Å; Y64-L142 HydrophobicContact CD2-CD1 4.11Å; Y64-L142 HydrophobicContact CE2-CB 4.27Å; Y64-L142 HydrophobicContact CG-CD1 4.46Å; S92-L142 CarbonylContact C-O 3.55Å; S92-L142 WeakPolarHBondContact CA-O 3.49Å; S92-L142 WeakPolarHBondContact CB-O 3.48Å; S93-L142 PolarHBondContact N-O 3.39Å; S93-L142 PolarHBondContact O-N 3.24Å; V95-L142 HydrophobicContact CG2-CD1 3.94Å; L112-L142 HydrophobicContact CD1-CD2 3.65Å; L112-L142 HydrophobicContact CD1-CG 4.05Å; L112-L142 HydrophobicContact CD2-CD2 4.47Å; L112-L142 HydrophobicContact CD2-CG 4.22Å; L142-D156 VanDerWaalsContact CD2-O 3.29Å; L142-D156 WeakPolarHBondContact CD2-O 3.34Å; L142-P158 HydrophobicContact CD2-CB 4.39Å; L142-P158 HydrophobicContact CD2-CG 3.85Å
143A96.7Very high90.5Very high3 Ų363.6 Ų63.63%0.02534%0.337CS..EExtended strand (participates in β ladder)trans-144.8142.317700000112.1Y64 G91 I154 A155Y64-A143 PolarHBondContact OH-O 3.44Å; G91-A143 CarbonylContact O-C 3.31Å; G91-A143 VanDerWaalsContact O-CA 3.29Å; G91-A143 WeakPolarHBondContact O-CA 3.46Å; A143-I154 VanDerWaalsContact CB-O 3.31Å; A143-I154 WeakPolarHBondContact CB-O 3.44Å; A143-A155 HydrophobicContact CB-CB 3.87Å
144L94.7Very high90.5Very high16 Ų1664 Ų648%0.08434%0.341CS..EExtended strand (participates in β ladder)trans-117.6115.7165.1-75.1170.1000108.9F34 Y64 V67 K68 I90 G91F34-L144 HydrophobicContact CD2-CB 4.22Å; F34-L144 HydrophobicContact CD2-CD1 4.4Å; F34-L144 HydrophobicContact CD2-CG 4.5Å; F34-L144 HydrophobicContact CE2-CB 3.77Å; F34-L144 HydrophobicContact CE2-CD1 3.8Å; F34-L144 HydrophobicContact CE2-CG 3.68Å; Y64-L144 HydrophobicContact CE2-CD1 4.49Å; Y64-L144 HydrophobicContact CE2-CD2 3.91Å; Y64-L144 HydrophobicContact CE2-CG 3.81Å; Y64-L144 WeakPolarHBondContact OH-CD2 3.47Å; V67-L144 HydrophobicContact CB-CD1 4.3Å; V67-L144 HydrophobicContact CG1-CD1 3.62Å; K68-L144 HydrophobicContact CB-CD1 4.14Å; K68-L144 HydrophobicContact CB-CD2 3.79Å; K68-L144 HydrophobicContact CD-CD2 4.15Å; K68-L144 HydrophobicContact CG-CD2 3.73Å; I90-L144 VanDerWaalsContact CA-O 3.28Å; I90-L144 WeakPolarHBondContact CA-O 3.39Å; G91-L144 PolarHBondContact N-O 3.18Å; G91-L144 PolarHBondContact O-N 3.4Å
145V91Very high90.5Very high35 Ų3562.6 Ų62.621%0.21234%0.343CS..  trans-144.3145.6-176.5-60.10000110.2W24 I90 E147 Y150 C153W24-V145 HydrophobicContact CH2-CB 4.48Å; W24-V145 HydrophobicContact CH2-CG1 3.27Å; W24-V145 HydrophobicContact CZ2-CG1 3.61Å; W24-V145 HydrophobicContact CZ3-CG1 4.34Å; I90-V145 HydrophobicContact CG2-CG1 4.43Å; V145-E147 PolarHBondContact O-N 2.91Å; V145-Y150 HydrophobicContact CB-CD2 3.99Å; V145-Y150 HydrophobicContact CB-CG 4.37Å; V145-Y150 HydrophobicContact CG1-CD2 4.45Å; V145-C153 HydrophobicContact CG1-CB 4.32Å; V145-C153 HydrophobicContact CG2-CB 4.03Å
146P83.9Confident90.8Very high33 Ų3356.5 Ų56.521%0.21432%0.316CS..  trans-65.3110.2160.5-14.427.6000108.8I90 D148 Q149 Y150I90-P146 HydrophobicContact CD1-CG 3.92Å; P146-D148 WeakPolarHBondContact CB-OD1 3.33Å; P146-D148 PolarHBondContact O-N 2.95Å; P146-D148 VanDerWaalsContact O-N 3.17Å; P146-Q149 HydrophobicContact CB-CB 4.21Å; P146-Q149 HydrophobicContact CB-CG 4.15Å; P146-Q149 PolarHBondContact O-N 3.23Å; P146-Y150 PolarHBondContact O-N 3.16Å; P146-Y150 VanDerWaalsContact O-N 3.07Å
147E78.8Confident91.2Very high161 Ų16157.9 Ų57.975%0.75232%0.321SS*.THydrogen-bonded Turntrans-56.9-32-175.7-70-177.8-175.800112.8V145 Q149 Y150 P151V145-E147 PolarHBondContact O-N 2.91Å; E147-Q149 VanDerWaalsContact C-N 3.28Å; E147-Q149 PolarHBondContact O-N 3.17Å; E147-Y150 CarbonylContact O-C 3.55Å; E147-Y150 PolarHBondContact O-N 2.88Å; E147-P151 WeakPolarHBondContact O-CA 3.28Å
148D84Confident91.7Very high134 Ų13455.8 Ų55.872%0.71731%0.31SS*.THydrogen-bonded Turntrans-65.6-29.8176.864.8-47000113.1P146P146-D148 WeakPolarHBondContact CB-OD1 3.33Å; P146-D148 PolarHBondContact O-N 2.95Å; P146-D148 VanDerWaalsContact O-N 3.17Å
149Q83Confident91.8Very high109 Ų10959.3 Ų59.351%0.50933%0.327SS..THydrogen-bonded Turntrans-91.5-27.6179.5-64.4176.337.400112.5P146 E147P146-Q149 HydrophobicContact CB-CB 4.21Å; P146-Q149 HydrophobicContact CB-CG 4.15Å; P146-Q149 PolarHBondContact O-N 3.23Å; E147-Q149 VanDerWaalsContact C-N 3.28Å; E147-Q149 PolarHBondContact O-N 3.17Å
150Y86.9Confident91.9Very high40 Ų4059.8 Ų59.816%0.15733%0.333CS..  trans-133.662.1-174.6-53.5-84.2000112.5W24 Y27 V145 P146 E147 N152 C153W24-Y150 HydrophobicContact CH2-CD1 4.26Å; W24-Y150 HydrophobicContact CH2-CE1 4.42Å; W24-Y150 HydrophobicContact CH2-CG 4.37Å; W24-Y150 HydrophobicContact CZ3-CD1 4.08Å; W24-Y150 AromaticContact CZ3-CE1 3.79Å; W24-Y150 HydrophobicContact CZ3-CE1 3.79Å; W24-Y150 HydrophobicContact CZ3-CE2 4.38Å; W24-Y150 HydrophobicContact CZ3-CG 4.49Å; W24-Y150 AromaticContact CZ3-CZ 3.95Å; Y27-Y150 AromaticContact CD1-CE1 3.77Å; Y27-Y150 HydrophobicContact CD1-CE1 3.77Å; Y27-Y150 HydrophobicContact CD2-CE1 4.38Å; Y27-Y150 AromaticContact CE1-CE1 4Å; Y27-Y150 HydrophobicContact CE1-CE1 4Å; Y27-Y150 AromaticContact CG-CE1 3.96Å; Y27-Y150 HydrophobicContact CG-CE1 3.96Å; V145-Y150 HydrophobicContact CB-CD2 3.99Å; V145-Y150 HydrophobicContact CB-CG 4.37Å; V145-Y150 HydrophobicContact CG1-CD2 4.45Å; P146-Y150 PolarHBondContact O-N 3.16Å; P146-Y150 VanDerWaalsContact O-N 3.07Å; E147-Y150 CarbonylContact O-C 3.55Å; E147-Y150 PolarHBondContact O-N 2.88Å; Y150-N152 PolarHBondContact O-N 3.2Å; Y150-N152 VanDerWaalsContact O-N 3.09Å; Y150-C153 WeakPolarHBondContact O-CB 3.39Å; Y150-C153 PolarHBondContact O-N 3.08Å; Y150-C153 VanDerWaalsContact O-N 3.12Å
151P82.8Confident91.9Very high99 Ų9957.6 Ų57.664%0.64332%0.324SS*.THydrogen-bonded Turntrans-65.7-18.5-169.625.4-36.4000115.1E147E147-P151 WeakPolarHBondContact O-CA 3.28Å
152N85.6Confident91.9Very high156 Ų15659 Ų5983%0.83433%0.332SS*.THydrogen-bonded Turntrans-112.420.2-179.8-59.2-39.6000112.2Y150Y150-N152 PolarHBondContact O-N 3.2Å; Y150-N152 VanDerWaalsContact O-N 3.09Å
153C90.3Very high91.9Very high40 Ų4061.7 Ų61.727%0.2735%0.348SS..  trans-70.9134.6176.3-166.60000110.2V145 Y150 A155V145-C153 HydrophobicContact CG1-CB 4.32Å; V145-C153 HydrophobicContact CG2-CB 4.03Å; Y150-C153 WeakPolarHBondContact O-CB 3.39Å; Y150-C153 PolarHBondContact O-N 3.08Å; Y150-C153 VanDerWaalsContact O-N 3.12Å; C153-A155 PolarHBondContact O-N 3.42Å
154I94.1Very high92Very high56 Ų5663.9 Ų63.929%0.28736%0.359SS..  trans-71124.1171-60.7174.7000107.8V138 Q141 A143 D156V138-I154 HydrophobicContact CG1-CD1 3.28Å; Q141-I154 HydrophobicContact CG-CB 4.28Å; Q141-I154 HydrophobicContact CG-CG2 3.92Å; A143-I154 VanDerWaalsContact CB-O 3.31Å; A143-I154 WeakPolarHBondContact CB-O 3.44Å; I154-D156 VanDerWaalsContact CG2-OD2 3.32Å; I154-D156 WeakPolarHBondContact CG2-OD2 3.1Å
155A95.4Very high92.1Very high55 Ų5566.3 Ų66.346%0.45538%0.377SS..  trans-141.380.7-179.900000108.7A143 C153A143-A155 HydrophobicContact CB-CB 3.87Å; C153-A155 PolarHBondContact O-N 3.42Å
156D98Very high92.4Very high20 Ų2065.8 Ų65.811%0.10737%0.374CS..  trans-69.7144.9179-62.6-69.1000110.5H134 F140 Q141 L142 I154H134-D156 IonicContact CD2-OD2 2.7Å; H134-D156 IonicContact CE1-OD1 3.05Å; H134-D156 PolarHBondContact CE1-OD1 3.32Å; H134-D156 IonicContact CE1-OD2 3.88Å; H134-D156 VanDerWaalsContact NE2-CG 3.29Å; H134-D156 IonicContact NE2-OD1 2.92Å; H134-D156 PolarHBondContact NE2-OD1 2.83Å; H134-D156 IonicContact NE2-OD2 3.88Å; H134-D156 PolarHBondContact NE2-OD2 2.95Å; F140-D156 WeakPolarHBondContact CA-OD2 3.48Å; F140-D156 HydrophobicContact CD1-CB 4.06Å; Q141-D156 PolarHBondContact N-OD2 2.8Å; Q141-D156 WeakPolarHBondContact O-CB 3.03Å; Q141-D156 PolarHBondContact O-N 3.03Å; L142-D156 VanDerWaalsContact CD2-O 3.29Å; L142-D156 WeakPolarHBondContact CD2-O 3.34Å; I154-D156 VanDerWaalsContact CG2-OD2 3.32Å; I154-D156 WeakPolarHBondContact CG2-OD2 3.1Å
157P97.2Very high93.1Very high75 Ų7569.4 Ų69.449%0.48739%0.392SS..  trans-72.5149176.529.9-33.7000110.6D159 A160P157-D159 PolarHBondContact O-N 3.29Å; P157-D159 VanDerWaalsContact O-N 3.07Å; P157-A160 HydrophobicContact CG-CB 4.2Å; P157-A160 VanDerWaalsContact O-CB 3.25Å; P157-A160 WeakPolarHBondContact O-CB 3.38Å; P157-A160 PolarHBondContact O-N 2.86Å
158P97.6Very high93.9Very high17 Ų1762.3 Ų62.311%0.1136%0.359CS..G310 helixtrans-50.6-32.4171.2-29.136000114I60 A61 Y64 L142 A160 A161I60-P158 HydrophobicContact CG2-CB 4.2Å; A61-P158 HydrophobicContact CB-CB 3.68Å; A61-P158 HydrophobicContact CB-CG 4.24Å; Y64-P158 HydrophobicContact CD1-CG 3.89Å; Y64-P158 HydrophobicContact CG-CG 4.11Å; L142-P158 HydrophobicContact CD2-CB 4.39Å; L142-P158 HydrophobicContact CD2-CG 3.85Å; P158-A160 PolarHBondContact O-N 3.49Å; P158-A160 VanDerWaalsContact O-N 3.16Å; P158-A161 VanDerWaalsContact O-CB 3.29Å; P158-A161 WeakPolarHBondContact O-CB 3.1Å; P158-A161 PolarHBondContact O-N 2.88Å
159D97.1Very high94.4Very high118 Ų11860.3 Ų60.363%0.63135%0.349SS*.G310 helixtrans-64.2-17.3178.6-67.2-4.5000113.8R57 P157 A161R57-D159 PolarHBondContact NE-O 3.42Å; P157-D159 PolarHBondContact O-N 3.29Å; P157-D159 VanDerWaalsContact O-N 3.07Å; D159-A161 PolarHBondContact O-N 3.49Å
160A98.1Very high94.9Very high28 Ų2859.9 Ų59.923%0.23135%0.349CS..G310 helixtrans-72.7-12.2174.200000113.2Q132 F140 P157 P158 D162Q132-A160 PolarHBondContact NE2-O 2.9Å; F140-A160 HydrophobicContact CD1-CB 4.12Å; F140-A160 HydrophobicContact CE1-CB 4.25Å; P157-A160 HydrophobicContact CG-CB 4.2Å; P157-A160 VanDerWaalsContact O-CB 3.25Å; P157-A160 WeakPolarHBondContact O-CB 3.38Å; P157-A160 PolarHBondContact O-N 2.86Å; P158-A160 PolarHBondContact O-N 3.49Å; P158-A160 VanDerWaalsContact O-N 3.16Å; A160-D162 PolarHBondContact O-N 3.42Å
161A98.3Very high95.2Very high1 Ų159.6 Ų59.61%0.00836%0.358CS..  trans-58.6128.1178.300000111.4R57 I60 N111 L112 P158 D159R57-A161 PolarHBondContact NE-O 3.22Å; R57-A161 PolarHBondContact NH2-O 3.35Å; I60-A161 HydrophobicContact CD1-CB 4.12Å; N111-A161 CarbonylContact O-C 3.34Å; N111-A161 WeakPolarHBondContact O-CA 3.48Å; L112-A161 HydrophobicContact CB-CB 4.1Å; L112-A161 HydrophobicContact CD1-CB 4.31Å; P158-A161 VanDerWaalsContact O-CB 3.29Å; P158-A161 WeakPolarHBondContact O-CB 3.1Å; P158-A161 PolarHBondContact O-N 2.88Å; D159-A161 PolarHBondContact O-N 3.49Å
162D98.3Very high95.8Very high44 Ų4455 Ų5524%0.23533%0.329CS..EExtended strand (participates in β ladder)trans-75.3124.6172.8-175.835.3000109.6A110 N111 A160 N164A110-D162 CarbonylContact C-O 3.52Å; A110-D162 VanDerWaalsContact CA-O 3.31Å; A110-D162 WeakPolarHBondContact CA-O 3.11Å; N111-D162 PolarHBondContact N-O 2.93Å; N111-D162 PolarHBondContact O-N 3.35Å; A160-D162 PolarHBondContact O-N 3.42Å; D162-N164 PolarHBondContact OD2-ND2 2.59Å
163V98.1Very high96.3Very high55 Ų5547.8 Ų47.833%0.33329%0.29SS..EExtended strand (participates in β ladder)trans-119.4132.9-176.3-61.20000111.1R57 T109 A110R57-V163 HydrophobicContact CB-CG1 3.76Å; R57-V163 VanDerWaalsContact NH2-CG2 3.35Å; T109-V163 VanDerWaalsContact O-CA 3.23Å; T109-V163 WeakPolarHBondContact O-CA 3.3Å; A110-V163 HydrophobicContact CB-CG1 3.97Å
164N98.1Very high96.6Very high50 Ų5046 Ų4627%0.26728%0.278SS..EExtended strand (participates in β ladder)trans-140.6150.8-179.8-61.8-91.7000110.2H108 T109 W127 D162H108-N164 CarbonylContact C-O 3.55Å; H108-N164 WeakPolarHBondContact CA-O 3.36Å; T109-N164 PolarHBondContact N-O 3.41Å; T109-N164 PolarHBondContact O-N 3.07Å; T109-N164 VanDerWaalsContact O-N 3.16Å; T109-N164 WeakPolarHBondContact OG1-CB 3.32Å; T109-N164 PolarHBondContact OG1-N 3.49Å; T109-N164 PolarHBondContact OG1-O 3.49Å; W127-N164 HydrophobicContact CH2-CB 4.2Å; W127-N164 HydrophobicContact CZ2-CB 3.65Å; D162-N164 PolarHBondContact OD2-ND2 2.59Å
165S97.9Very high96.8Very high66 Ų6643.3 Ų43.346%0.46226%0.264SS..EExtended strand (participates in β ladder)trans-125.5130.8169.9-580000108.6V107 H108V107-S165 CarbonylContact O-C 3.5Å; V107-S165 VanDerWaalsContact O-CA 3.32Å; V107-S165 WeakPolarHBondContact O-CA 3.42Å; H108-S165 PolarHBondContact ND1-OG 3.24Å
166V97.8Very high96.9Very high24 Ų2440.7 Ų40.715%0.14524%0.242CC..EExtended strand (participates in β ladder)trans-130.7130.4-175.6-171.10000109.1Q106 V107 L119 W127Q106-V166 CarbonylContact C-O 3.6Å; Q106-V166 WeakPolarHBondContact CA-O 3.31Å; V107-V166 PolarHBondContact N-O 3.39Å; V107-V166 PolarHBondContact O-N 3.39Å; L119-V166 HydrophobicContact CD2-CB 4.18Å; L119-V166 HydrophobicContact CD2-CG1 3.61Å; W127-V166 HydrophobicContact CD2-CG2 3.92Å; W127-V166 HydrophobicContact CE3-CG2 4.41Å; W127-V166 HydrophobicContact CG-CG2 4.02Å
167D97.6Very high96.9Very high109 Ų10939.7 Ų39.758%0.58324%0.237SC*.EExtended strand (participates in β ladder)trans-67.1138174.6-63.5-24000110.3Q106Q106-D167 WeakPolarHBondContact CG-OD1 3.34Å; Q106-D167 PolarHBondContact NE2-OD1 2.87Å
168V96.5Very high96.9Very high12 Ų1236.1 Ų36.17%0.07321%0.214CC..  trans-126.8147.1-179.8-67.40000112.8S105 V107 L119 D172 V250S105-V168 WeakPolarHBondContact O-CG2 3.37Å; S105-V168 PolarHBondContact O-N 2.88Å; V107-V168 HydrophobicContact CB-CG1 4.05Å; V107-V168 HydrophobicContact CG2-CB 4.38Å; V107-V168 HydrophobicContact CG2-CG1 3.43Å; V107-V168 VanDerWaalsContact CG2-CG1 3.43Å; V107-V168 HydrophobicContact CG2-CG2 4.1Å; L119-V168 HydrophobicContact CD1-CG1 3.95Å; L119-V168 HydrophobicContact CD2-CG1 3.97Å; V168-D172 VanDerWaalsContact CA-OD2 3.29Å; V168-D172 WeakPolarHBondContact CA-OD2 3.46Å; V168-D172 HydrophobicContact CB-CB 4.42Å; V168-V250 HydrophobicContact CB-CG2 4.09Å; V168-V250 HydrophobicContact CG2-CG1 4.45Å; V168-V250 HydrophobicContact CG2-CG2 4Å
169D94.8Very high96.8Very high92 Ų9235.8 Ų35.849%0.49221%0.211SC..  trans-112.8160.4176.7-75.9-51.2000111R121 G171 D172 V250R121-D169 IonicContact CZ-OD2 2.72Å; R121-D169 IonicContact NH1-OD2 3.35Å; R121-D169 PolarHBondContact NH1-OD2 3.18Å; R121-D169 IonicContact NH2-OD2 3.68Å; R121-D169 PolarHBondContact NH2-OD2 3.16Å; D169-G171 PolarHBondContact O-N 3.06Å; D169-D172 PolarHBondContact N-OD2 3.34Å; D169-D172 VanDerWaalsContact O-CB 3.31Å; D169-D172 WeakPolarHBondContact O-CB 3.36Å; D169-D172 VanDerWaalsContact O-CG 3.27Å; D169-D172 PolarHBondContact O-N 2.85Å; D169-D172 VanDerWaalsContact O-N 3.09Å; D169-V250 WeakPolarHBondContact O-CB 3.22Å; D169-V250 WeakPolarHBondContact O-CG1 3.37Å
170I92.4Very high96.8Very high100 Ų10030.1 Ų30.151%0.51318%0.181SC..THydrogen-bonded Turntrans-60.1128.6174.4-67.6155.3000109.3V250 R252I170-V250 CarbonylContact C-O 3.57Å; I170-V250 WeakPolarHBondContact CA-O 3.1Å; I170-R252 HydrophobicContact CD1-CG 3.44Å; I170-R252 VanDerWaalsContact CD1-CG 3.44Å; I170-R252 HydrophobicContact CG1-CG 4.1Å; I170-R252 HydrophobicContact CG2-CG 4.18Å
171G93.1Very high96.8Very high35 Ų3528.8 Ų28.836%0.36117%0.17SC..THydrogen-bonded Turntrans104.4-17.4-176.600000113.1D169 C173 V250D169-G171 PolarHBondContact O-N 3.06Å; G171-C173 PolarHBondContact O-N 3.32Å; G171-V250 PolarHBondContact N-O 3.3Å
172D96Very high96.7Very high3 Ų330.6 Ų30.62%0.01618%0.178CC..  trans-60.9138.3176.9-71.7-4.6000110.8L119 F120 R121 V168 D169 V249 V250L119-D172 HydrophobicContact CD1-CB 4.17Å; F120-D172 CarbonylContact O-C 3.58Å; F120-D172 VanDerWaalsContact O-CA 3.28Å; F120-D172 WeakPolarHBondContact O-CA 3.5Å; R121-D172 WeakPolarHBondContact CB-OD1 2.96Å; R121-D172 VanDerWaalsContact CG-OD1 3.27Å; R121-D172 WeakPolarHBondContact CG-OD1 3.37Å; R121-D172 IonicContact CZ-OD1 3.28Å; R121-D172 IonicContact CZ-OD2 3.93Å; R121-D172 IonicContact NE-OD1 3.18Å; R121-D172 PolarHBondContact NE-OD1 3.06Å; R121-D172 IonicContact NE-OD2 2.59Å; R121-D172 PolarHBondContact NE-OD2 2.86Å; R121-D172 IonicContact NH2-OD1 3.18Å; R121-D172 IonicContact NH2-OD2 3.1Å; R121-D172 PolarHBondContact NH2-OD2 2.82Å; V168-D172 VanDerWaalsContact CA-OD2 3.29Å; V168-D172 WeakPolarHBondContact CA-OD2 3.46Å; V168-D172 HydrophobicContact CB-CB 4.42Å; D169-D172 PolarHBondContact N-OD2 3.34Å; D169-D172 VanDerWaalsContact O-CB 3.31Å; D169-D172 WeakPolarHBondContact O-CB 3.36Å; D169-D172 VanDerWaalsContact O-CG 3.27Å; D169-D172 PolarHBondContact O-N 2.85Å; D169-D172 VanDerWaalsContact O-N 3.09Å; D172-V249 WeakPolarHBondContact O-CA 3.21Å; D172-V250 HydrophobicContact CB-CB 4.37Å; D172-V250 HydrophobicContact CB-CG2 4.09Å; D172-V250 PolarHBondContact O-N 3.11Å
173C96Very high96.6Very high4 Ų428.9 Ų28.93%0.02717%0.168CC..EExtended strand (participates in β ladder)trans-115.2129.1-178.6-1760000110.5L119 F120 G171 V194 A248 V249L119-C173 WeakPolarHBondContact CA-O 3.31Å; F120-C173 HydrophobicContact CB-CB 4.4Å; F120-C173 PolarHBondContact N-O 2.87Å; F120-C173 PolarHBondContact O-N 3.2Å; G171-C173 PolarHBondContact O-N 3.32Å; C173-V194 HydrophobicContact CB-CG1 4.02Å; C173-A248 WeakPolarHBondContact CA-O 3.36Å; C173-V249 HydrophobicContact CB-CG2 4.23Å
174V97.2Very high96.5Very high1 Ų126.2 Ų26.21%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-101.7126.1174.9179.50000108.2V107 L117 L118 L119 A247 A248V107-V174 HydrophobicContact CG2-CG2 4.35Å; L117-V174 HydrophobicContact CD1-CG1 3.37Å; L117-V174 HydrophobicContact CD2-CG1 4.04Å; L117-V174 HydrophobicContact CG-CG1 3.86Å; L118-V174 WeakPolarHBondContact O-CA 3.48Å; L119-V174 HydrophobicContact CD1-CG2 3.84Å; V174-A247 CarbonylContact O-C 3.53Å; V174-A247 VanDerWaalsContact O-CA 3.27Å; V174-A247 WeakPolarHBondContact O-CA 3.11Å; V174-A248 HydrophobicContact CB-CB 4.47Å; V174-A248 PolarHBondContact N-O 3.28Å; V174-A248 PolarHBondContact O-N 2.97Å
175V98Very high96.4Very high0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-118.6116.7170.4178.70000108.7L117 L118 F120 L181 I190 V194 I212 V245 I246L117-V175 CarbonylContact C-O 3.5Å; L117-V175 WeakPolarHBondContact CA-O 3.47Å; L118-V175 HydrophobicContact CB-CB 4.43Å; L118-V175 PolarHBondContact N-O 3.03Å; L118-V175 PolarHBondContact O-N 2.83Å; F120-V175 HydrophobicContact CD2-CG2 4.22Å; F120-V175 HydrophobicContact CE2-CB 4.15Å; F120-V175 HydrophobicContact CE2-CG2 3.92Å; V175-L181 HydrophobicContact CG1-CD2 4.42Å; V175-I190 HydrophobicContact CG1-CG2 4.19Å; V175-I190 HydrophobicContact CG2-CG2 4.47Å; V175-V194 HydrophobicContact CG2-CG2 3.89Å; V175-I212 HydrophobicContact CG1-CD1 4.08Å; V175-I212 HydrophobicContact CG2-CD1 4.14Å; V175-V245 HydrophobicContact CG1-CG1 4.18Å; V175-I246 WeakPolarHBondContact CA-O 3.37Å
176M97.8Very high96.3Very high0 Ų022 Ų220%013%0.126CC..EExtended strand (participates in β ladder)trans-108.9146.2175.9-167.5-177.9-14500109.8L15 V17 C96 V98 G116 L117 V245 I246L15-M176 HydrophobicContact CB-SD 4.23Å; V17-M176 HydrophobicContact CB-SD 4.5Å; V17-M176 HydrophobicContact CG1-CG 4.27Å; V17-M176 HydrophobicContact CG1-SD 3.97Å; V17-M176 HydrophobicContact CG2-CE 4.04Å; V17-M176 HydrophobicContact CG2-CG 4.05Å; V17-M176 HydrophobicContact CG2-SD 4.1Å; C96-M176 HydrophobicContact CB-CE 3.68Å; C96-M176 WeakPolarHBondContact O-CE 3.11Å; C96-M176 WeakPolarHBondContact SG-CE 3.46Å; V98-M176 HydrophobicContact CB-CE 4.47Å; V98-M176 HydrophobicContact CG1-CE 4.06Å; V98-M176 HydrophobicContact CG1-SD 4.04Å; G116-M176 WeakPolarHBondContact O-CA 2.92Å; L117-M176 HydrophobicContact CD1-CB 3.72Å; L117-M176 HydrophobicContact CD1-CG 3.94Å; M176-V245 CarbonylContact O-C 3.53Å; M176-V245 WeakPolarHBondContact O-CA 3.21Å; M176-I246 HydrophobicContact CB-CB 4.24Å; M176-I246 PolarHBondContact N-O 2.85Å; M176-I246 PolarHBondContact O-N 3.07Å; M176-I246 HydrophobicContact SD-CD1 4.27Å
177G97.7Very high96.2Very high0 Ų022.3 Ų22.30%013%0.128CC..EExtended strand (participates in β ladder)trans-162.4173.7172.300000114.6S115 G116 F182 T244S115-G177 WeakPolarHBondContact CB-O 3.45Å; G116-G177 PolarHBondContact N-O 2.86Å; G116-G177 PolarHBondContact O-N 2.85Å; G177-F182 WeakPolarHBondContact O-CE2 3.36Å; G177-T244 WeakPolarHBondContact CA-O 3.28Å
178T97.4Very high96.2Very high0 Ų023.1 Ų23.10%013%0.128CC..  trans-84.3170.217053.70000111.7S2 V17 D19 G180 L181 F182 D242 T244S2-T178 WeakPolarHBondContact OG-CG2 3.43Å; V17-T178 HydrophobicContact CB-CG2 4.28Å; V17-T178 HydrophobicContact CG2-CG2 4.37Å; D19-T178 HydrophobicContact CB-CG2 4Å; T178-G180 PolarHBondContact O-N 2.76Å; T178-G180 VanDerWaalsContact O-N 3.16Å; T178-L181 WeakPolarHBondContact O-CB 3.29Å; T178-L181 PolarHBondContact O-N 3.14Å; T178-F182 WeakPolarHBondContact O-CD2 3.37Å; T178-D242 PolarHBondContact OG1-O 3.2Å; T178-T244 PolarHBondContact N-O 2.77Å; T178-T244 PolarHBondContact OG1-N 3.11Å; T178-T244 VanDerWaalsContact OG1-N 3.16Å
179D95.5Very high96.2Very high9 Ų924.6 Ų24.65%0.04814%0.135CC..Hα-helixtrans-53.6-32.3175.570.7-34.1000112.5L181 F182 D183 K239D179-L181 CarbonylContact O-C 3.58Å; D179-L181 PolarHBondContact O-N 3.19Å; D179-F182 PolarHBondContact O-N 3.02Å; D179-D183 VanDerWaalsContact O-CB 3.28Å; D179-D183 WeakPolarHBondContact O-CB 3.44Å; D179-D183 PolarHBondContact O-N 3.38Å; D179-K239 IonicContact OD2-NZ 2.91Å; D179-K239 PolarHBondContact OD2-NZ 2.89Å
180G96Very high96.3Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-53.5-28.2172.800000114.4T178 N184T178-G180 PolarHBondContact O-N 2.76Å; T178-G180 VanDerWaalsContact O-N 3.16Å; G180-N184 PolarHBondContact O-ND2 2.93Å
181L97.8Very high96.6Very high0 Ų018.3 Ų18.30%010%0.101CC..Hα-helixtrans-74.1-60.7167.7172.460.5000110.8V175 T178 D179 D183 N184 M185 I190 I212 A216 V245V175-L181 HydrophobicContact CG1-CD2 4.42Å; T178-L181 WeakPolarHBondContact O-CB 3.29Å; T178-L181 PolarHBondContact O-N 3.14Å; D179-L181 CarbonylContact O-C 3.58Å; D179-L181 PolarHBondContact O-N 3.19Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-D183 PolarHBondContact O-N 2.98Å; L181-N184 PolarHBondContact O-N 3.05Å; L181-N184 VanDerWaalsContact O-N 3.11Å; L181-M185 HydrophobicContact CD1-CB 3.93Å; L181-M185 HydrophobicContact CD1-SD 4.15Å; L181-M185 WeakPolarHBondContact O-CB 3.3Å; L181-M185 PolarHBondContact O-N 3.26Å; L181-I190 HydrophobicContact CD1-CD1 4.06Å; L181-I190 HydrophobicContact CD1-CG1 4.47Å; L181-I190 HydrophobicContact CD2-CD1 4.16Å; L181-I190 HydrophobicContact CG-CD1 4.13Å; L181-I212 HydrophobicContact CD1-CG2 3.49Å; L181-I212 VanDerWaalsContact CD1-CG2 3.49Å; L181-I212 HydrophobicContact CD2-CG2 4.21Å; L181-A216 HydrophobicContact CD1-CB 3.78Å; L181-V245 HydrophobicContact CD1-CG2 4.44Å; L181-V245 HydrophobicContact CD2-CG2 4.18Å
182F96.6Very high96.8Very high39 Ų3922.2 Ų22.217%0.17111%0.11CC..Hα-helixtrans-71.1-24.7-168-59.5-63.8000114.5L118 G177 T178 D179 N184 I190L118-F182 HydrophobicContact CD1-CE1 3.88Å; L118-F182 HydrophobicContact CD2-CE1 4.27Å; L118-F182 HydrophobicContact CG-CE1 3.89Å; L118-F182 HydrophobicContact CG-CZ 4.42Å; G177-F182 WeakPolarHBondContact O-CE2 3.36Å; T178-F182 WeakPolarHBondContact O-CD2 3.37Å; D179-F182 PolarHBondContact O-N 3.02Å; F182-N184 VanDerWaalsContact C-N 3.31Å; F182-I190 HydrophobicContact CD1-CD1 4.46Å; F182-I190 HydrophobicContact CE1-CD1 4.33Å
183D95.4Very high96.9Very high7 Ų724 Ų244%0.03712%0.118CC..THydrogen-bonded Turntrans-71.5-30.2173.3-86.4-20.4000111.7D179 L181 S227 S228 F229 K239D179-D183 VanDerWaalsContact O-CB 3.28Å; D179-D183 WeakPolarHBondContact O-CB 3.44Å; D179-D183 PolarHBondContact O-N 3.38Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-D183 PolarHBondContact O-N 2.98Å; D183-S227 VanDerWaalsContact O-CB 3.28Å; D183-S227 WeakPolarHBondContact O-CB 3.27Å; D183-S228 PolarHBondContact O-N 3.05Å; D183-F229 HydrophobicContact CB-CB 4.02Å; D183-F229 PolarHBondContact O-N 3.05Å; D183-K239 HydrophobicContact CB-CB 4.49Å; D183-K239 HydrophobicContact CB-CD 4.04Å; D183-K239 WeakPolarHBondContact OD2-CD 3.34Å; D183-K239 WeakPolarHBondContact OD2-CE 3.38Å; D183-K239 IonicContact OD2-NZ 3.01Å; D183-K239 PolarHBondContact OD2-NZ 3.38Å
184N96.6Very high97Very high0 Ų024.2 Ų24.20%012%0.119CC..THydrogen-bonded Turntrans-109.3-20.4-169.4-69.4-58.4000114.7G180 L181 F182 L219 S220 F225 G238 K239G180-N184 PolarHBondContact O-ND2 2.93Å; L181-N184 PolarHBondContact O-N 3.05Å; L181-N184 VanDerWaalsContact O-N 3.11Å; F182-N184 VanDerWaalsContact C-N 3.31Å; N184-L219 HydrophobicContact CB-CB 4.46Å; N184-L219 VanDerWaalsContact O-CB 3.3Å; N184-L219 WeakPolarHBondContact O-CB 3.24Å; N184-L219 VanDerWaalsContact O-CD1 3.23Å; N184-L219 WeakPolarHBondContact O-CD1 3.23Å; N184-S220 VanDerWaalsContact ND2-CB 3.32Å; N184-S220 WeakPolarHBondContact ND2-CB 3.14Å; N184-S220 VanDerWaalsContact OD1-CA 3.28Å; N184-S220 WeakPolarHBondContact OD1-CA 3.5Å; N184-S220 WeakPolarHBondContact OD1-CB 3.41Å; N184-F225 WeakPolarHBondContact O-CE1 3.38Å; N184-G238 WeakPolarHBondContact OD1-CA 3.28Å; N184-K239 PolarHBondContact ND2-O 3.05Å; N184-K239 PolarHBondContact OD1-N 2.89Å; N184-K239 PolarHBondContact OD1-O 3.16Å
185M96.3Very high96.9Very high2 Ų227.2 Ų27.21%0.0114%0.144CC..SBendtrans-127.1113.3-176.5-165.2158.8160.200109.9L181 L189 I190 E193 I212 K215 A216 L219L181-M185 HydrophobicContact CD1-CB 3.93Å; L181-M185 HydrophobicContact CD1-SD 4.15Å; L181-M185 WeakPolarHBondContact O-CB 3.3Å; L181-M185 PolarHBondContact O-N 3.26Å; M185-L189 HydrophobicContact CE-CB 3.86Å; M185-L189 WeakPolarHBondContact CE-O 3.03Å; M185-L189 HydrophobicContact CG-CB 3.95Å; M185-I190 HydrophobicContact CB-CG1 4.46Å; M185-I190 HydrophobicContact CE-CB 4.3Å; M185-I190 HydrophobicContact CE-CG1 3.72Å; M185-I190 HydrophobicContact CG-CD1 4.5Å; M185-I190 HydrophobicContact CG-CG1 3.84Å; M185-I190 HydrophobicContact SD-CG1 4.12Å; M185-E193 HydrophobicContact CE-CG 4.07Å; M185-I212 HydrophobicContact CE-CG2 4.39Å; M185-I212 HydrophobicContact SD-CG2 4.25Å; M185-K215 HydrophobicContact CE-CB 4.24Å; M185-K215 HydrophobicContact CE-CD 3.64Å; M185-K215 HydrophobicContact CE-CG 4.3Å; M185-K215 HydrophobicContact SD-CB 3.93Å; M185-K215 HydrophobicContact SD-CD 4.05Å; M185-K215 HydrophobicContact SD-CG 4.11Å; M185-A216 HydrophobicContact CB-CB 4.33Å; M185-A216 HydrophobicContact SD-CB 4.29Å; M185-L219 HydrophobicContact CB-CD1 4.3Å; M185-L219 HydrophobicContact CG-CD1 4.18Å
186P95.2Very high96.8Very high24 Ų2430.7 Ų30.716%0.15617%0.168CC..  trans-57.9148.8170.5-22.233000111.3E188 L189 I190 F225P186-E188 WeakPolarHBondContact CB-OE2 3.41Å; P186-E188 PolarHBondContact O-N 3.33Å; P186-L189 PolarHBondContact O-N 3.04Å; P186-I190 PolarHBondContact O-N 3.03Å; P186-F225 HydrophobicContact CG-CZ 4.24Å
187V96.7Very high96.5Very high32 Ų3232.7 Ų32.719%0.19418%0.179CC..Hα-helixtrans-58.8-35.1-177.4176.40000111.1L118 L125 L189 I190 E191L118-V187 HydrophobicContact CD1-CG1 4.18Å; L118-V187 HydrophobicContact CD1-CG2 4.37Å; L118-V187 HydrophobicContact CD2-CG1 4.47Å; L118-V187 HydrophobicContact CD2-CG2 4.3Å; L125-V187 HydrophobicContact CD1-CG1 4.08Å; L125-V187 HydrophobicContact CD2-CG1 3.84Å; L125-V187 HydrophobicContact CG-CG1 4.41Å; V187-L189 VanDerWaalsContact C-N 3.25Å; V187-L189 PolarHBondContact O-N 2.84Å; V187-I190 CarbonylContact O-C 3.14Å; V187-I190 WeakPolarHBondContact O-CA 3.24Å; V187-I190 WeakPolarHBondContact O-CB 3.25Å; V187-I190 PolarHBondContact O-N 3.16Å; V187-E191 PolarHBondContact O-N 3.19Å
188E96.5Very high96.1Very high126 Ų12643.7 Ų43.759%0.58922%0.22SC*.Hα-helixtrans-60.5-34.8178.5-55.779-173.700112P186 E191 E192P186-E188 WeakPolarHBondContact CB-OE2 3.41Å; P186-E188 PolarHBondContact O-N 3.33Å; E188-E191 WeakPolarHBondContact O-CB 3.47Å; E188-E192 WeakPolarHBondContact O-CG 3.06Å; E188-E192 PolarHBondContact O-N 3.37Å
189L97Very high95.8Very high42 Ų4245.6 Ų45.622%0.2223%0.234CC..Hα-helixtrans-76.7-25.1176.4-62.3-171.8000112.6M185 P186 V187 E192 E193 K215 L219M185-L189 HydrophobicContact CE-CB 3.86Å; M185-L189 WeakPolarHBondContact CE-O 3.03Å; M185-L189 HydrophobicContact CG-CB 3.95Å; P186-L189 PolarHBondContact O-N 3.04Å; V187-L189 VanDerWaalsContact C-N 3.25Å; V187-L189 PolarHBondContact O-N 2.84Å; L189-E192 WeakPolarHBondContact CD2-OE2 3.3Å; L189-E193 WeakPolarHBondContact O-CG 3.31Å; L189-E193 PolarHBondContact O-N 2.94Å; L189-K215 HydrophobicContact CB-CD 4.45Å; L189-K215 HydrophobicContact CD1-CD 4.45Å; L189-L219 HydrophobicContact CD1-CD1 3.87Å
190I98.1Very high95.5Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-73.9-43.8172.8-57.2170000108.7L118 F120 V175 L181 F182 M185 P186 V187 E192 E193 V194 I212L118-I190 HydrophobicContact CD1-CB 4.25Å; L118-I190 HydrophobicContact CD1-CD1 3.59Å; L118-I190 HydrophobicContact CD1-CG2 4Å; F120-I190 HydrophobicContact CE2-CG2 4.06Å; F120-I190 HydrophobicContact CZ-CB 4.33Å; F120-I190 HydrophobicContact CZ-CG2 3.81Å; V175-I190 HydrophobicContact CG1-CG2 4.19Å; V175-I190 HydrophobicContact CG2-CG2 4.47Å; L181-I190 HydrophobicContact CD1-CD1 4.06Å; L181-I190 HydrophobicContact CD1-CG1 4.47Å; L181-I190 HydrophobicContact CD2-CD1 4.16Å; L181-I190 HydrophobicContact CG-CD1 4.13Å; F182-I190 HydrophobicContact CD1-CD1 4.46Å; F182-I190 HydrophobicContact CE1-CD1 4.33Å; M185-I190 HydrophobicContact CB-CG1 4.46Å; M185-I190 HydrophobicContact CE-CB 4.3Å; M185-I190 HydrophobicContact CE-CG1 3.72Å; M185-I190 HydrophobicContact CG-CD1 4.5Å; M185-I190 HydrophobicContact CG-CG1 3.84Å; M185-I190 HydrophobicContact SD-CG1 4.12Å; P186-I190 PolarHBondContact O-N 3.03Å; V187-I190 CarbonylContact O-C 3.14Å; V187-I190 WeakPolarHBondContact O-CA 3.24Å; V187-I190 WeakPolarHBondContact O-CB 3.25Å; V187-I190 PolarHBondContact O-N 3.16Å; I190-E192 VanDerWaalsContact C-N 3.33Å; I190-E192 PolarHBondContact O-N 2.97Å; I190-E193 WeakPolarHBondContact O-CB 3.43Å; I190-E193 PolarHBondContact O-N 3.23Å; I190-E193 VanDerWaalsContact O-N 3.08Å; I190-V194 HydrophobicContact CG2-CG2 4.33Å; I190-V194 WeakPolarHBondContact O-CG2 3.28Å; I190-V194 PolarHBondContact O-N 3.07Å; I190-I212 HydrophobicContact CG2-CD1 4.01Å
191E97.9Very high95.2Very high61 Ų6150.7 Ų50.729%0.28527%0.267SS..Hα-helixtrans-55.2-46.3173.9-165.8174.8126.200111.6F120 G123 L125 V187 E188 E193 V194 A195F120-E191 HydrophobicContact CD1-CG 4.21Å; F120-E191 HydrophobicContact CE1-CB 3.81Å; F120-E191 HydrophobicContact CE1-CG 3.97Å; G123-E191 WeakPolarHBondContact O-CG 3.35Å; L125-E191 PolarHBondContact N-OE2 3.06Å; V187-E191 PolarHBondContact O-N 3.19Å; E188-E191 WeakPolarHBondContact O-CB 3.47Å; E191-E193 VanDerWaalsContact C-N 3.31Å; E191-E193 PolarHBondContact O-N 2.87Å; E191-V194 PolarHBondContact O-N 2.76Å; E191-A195 VanDerWaalsContact O-CB 3.31Å; E191-A195 WeakPolarHBondContact O-CB 3.34Å; E191-A195 PolarHBondContact O-N 3.16Å
192E97.5Very high94.7Very high116 Ų11657 Ų5754%0.54229%0.292SS..Hα-helixtrans-56-41.2173.8-76.1173.2-17300113.5E188 L189 I190 S196E188-E192 WeakPolarHBondContact O-CG 3.06Å; E188-E192 PolarHBondContact O-N 3.37Å; L189-E192 WeakPolarHBondContact CD2-OE2 3.3Å; I190-E192 VanDerWaalsContact C-N 3.33Å; I190-E192 PolarHBondContact O-N 2.97Å; E192-S196 PolarHBondContact O-N 2.97Å
193E97.6Very high94.6Very high40 Ų4058.8 Ų58.819%0.18731%0.306CS..Hα-helixtrans-69.2-42.9177.5-68.3-63.9146.600110.8M185 L189 I190 E191 S196 L208 A211 I212 K215M185-E193 HydrophobicContact CE-CG 4.07Å; L189-E193 WeakPolarHBondContact O-CG 3.31Å; L189-E193 PolarHBondContact O-N 2.94Å; I190-E193 WeakPolarHBondContact O-CB 3.43Å; I190-E193 PolarHBondContact O-N 3.23Å; I190-E193 VanDerWaalsContact O-N 3.08Å; E191-E193 VanDerWaalsContact C-N 3.31Å; E191-E193 PolarHBondContact O-N 2.87Å; E193-S196 WeakPolarHBondContact O-CB 3.37Å; E193-S196 PolarHBondContact O-N 3.26Å; E193-S196 VanDerWaalsContact O-N 3.12Å; E193-S196 PolarHBondContact O-OG 3.41Å; E193-L208 VanDerWaalsContact C-CD1 3.47Å; E193-L208 HydrophobicContact CB-CD1 3.82Å; E193-L208 WeakPolarHBondContact O-CD1 3.31Å; E193-A211 WeakPolarHBondContact OE2-CB 3.39Å; E193-I212 HydrophobicContact CB-CD1 4.44Å; E193-I212 HydrophobicContact CB-CG1 3.86Å; E193-I212 HydrophobicContact CG-CG1 4.15Å; E193-K215 WeakPolarHBondContact OE1-CE 3.19Å; E193-K215 IonicContact OE1-NZ 2.73Å; E193-K215 PolarHBondContact OE1-NZ 3.47Å
194V97.4Very high94.5Very high9 Ų959.6 Ų59.66%0.05531%0.31CS..Hα-helixtrans-64.8-42.5178175.90000111.2F120 C173 V175 I190 E191 S196 L197 L208F120-V194 HydrophobicContact CB-CG1 3.76Å; F120-V194 HydrophobicContact CD1-CB 4.46Å; F120-V194 HydrophobicContact CD1-CG1 4.37Å; F120-V194 HydrophobicContact CD2-CB 4.41Å; F120-V194 HydrophobicContact CD2-CG1 4.16Å; F120-V194 HydrophobicContact CD2-CG2 3.84Å; F120-V194 HydrophobicContact CE2-CG2 3.84Å; F120-V194 HydrophobicContact CG-CB 4.29Å; F120-V194 HydrophobicContact CG-CG1 3.86Å; F120-V194 HydrophobicContact CG-CG2 4.21Å; F120-V194 HydrophobicContact CZ-CG2 4.24Å; C173-V194 HydrophobicContact CB-CG1 4.02Å; V175-V194 HydrophobicContact CG2-CG2 3.89Å; I190-V194 HydrophobicContact CG2-CG2 4.33Å; I190-V194 WeakPolarHBondContact O-CG2 3.28Å; I190-V194 PolarHBondContact O-N 3.07Å; E191-V194 PolarHBondContact O-N 2.76Å; V194-S196 PolarHBondContact O-N 3.02Å; V194-S196 VanDerWaalsContact O-N 3.17Å; V194-L197 WeakPolarHBondContact O-CB 3.5Å; V194-L197 PolarHBondContact O-N 2.94Å; V194-L208 HydrophobicContact CG2-CD1 4.21Å; V194-L208 HydrophobicContact CG2-CD2 4.26Å
195A96.1Very high94.4Very high65 Ų6559.8 Ų59.854%0.53731%0.311SS..Hα-helixtrans-62.4-20.7174.900000112.9E191 L197E191-A195 VanDerWaalsContact O-CB 3.31Å; E191-A195 WeakPolarHBondContact O-CB 3.34Å; E191-A195 PolarHBondContact O-N 3.16Å; A195-L197 VanDerWaalsContact C-N 3.32Å
196S94.9Very high94.3Very high72 Ų7263.6 Ų63.650%0.50333%0.328SS..THydrogen-bonded Turntrans-82.7-717586.10000114E192 E193 V194 R198E192-S196 PolarHBondContact O-N 2.97Å; E193-S196 WeakPolarHBondContact O-CB 3.37Å; E193-S196 PolarHBondContact O-N 3.26Å; E193-S196 VanDerWaalsContact O-N 3.12Å; E193-S196 PolarHBondContact O-OG 3.41Å; V194-S196 PolarHBondContact O-N 3.02Å; V194-S196 VanDerWaalsContact O-N 3.17Å; S196-R198 PolarHBondContact O-N 3.03Å
197L93.5Very high94.4Very high43 Ų4369.8 Ų69.823%0.22535%0.348CS..  trans-63.9119.8-179.2-174.268.9000110.7V194 A195 S199 D204 L208 V249V194-L197 WeakPolarHBondContact O-CB 3.5Å; V194-L197 PolarHBondContact O-N 2.94Å; A195-L197 VanDerWaalsContact C-N 3.32Å; L197-S199 WeakPolarHBondContact CD1-O 3.43Å; L197-S199 WeakPolarHBondContact CG-O 3.49Å; L197-D204 HydrophobicContact CD1-CB 3.96Å; L197-L208 HydrophobicContact CD1-CB 4.22Å; L197-L208 HydrophobicContact CD1-CD2 4.22Å; L197-L208 HydrophobicContact CD2-CD2 4.3Å; L197-V249 HydrophobicContact CD2-CG2 3.94Å
198R88.3Confident94.4Very high230 Ų23068.6 Ų68.687%0.86834%0.34SS*.  trans-88.5-28.3-172.5-61.6-177.6-178.9177.6-0.4114S196S196-R198 PolarHBondContact O-N 3.03Å
199S90.7Very high94.4Very high41 Ų4163.4 Ų63.429%0.28732%0.318SS..  trans-156.8163.3-177.780.60000110.1L197 T201 D204L197-S199 WeakPolarHBondContact CD1-O 3.43Å; L197-S199 WeakPolarHBondContact CG-O 3.49Å; S199-T201 PolarHBondContact O-N 3.08Å; S199-T201 WeakPolarHBondContact OG-CG2 3.34Å; S199-T201 PolarHBondContact OG-N 3.35Å; S199-T201 PolarHBondContact OG-OG1 3.23Å; S199-D204 WeakPolarHBondContact CB-OD2 3.3Å; S199-D204 PolarHBondContact OG-OD2 3.3Å
200C88.6Confident94.5Very high49 Ų4964.4 Ų64.433%0.33132%0.324SS..SBendtrans-88.117.3176.2-44.70000112.6V249 A251 A260C200-V249 HydrophobicContact CB-CB 4.33Å; C200-V249 HydrophobicContact CB-CG1 3.74Å; C200-A251 HydrophobicContact CB-CB 4.37Å; C200-A260 WeakPolarHBondContact O-CB 3.5Å
201T89.8Confident94.5Very high66 Ų6665.8 Ų65.841%0.40534%0.335SS..SBendtrans-70.8147.2178.762.30000110.6S199 T203 D204 V205S199-T201 PolarHBondContact O-N 3.08Å; S199-T201 WeakPolarHBondContact OG-CG2 3.34Å; S199-T201 PolarHBondContact OG-N 3.35Å; S199-T201 PolarHBondContact OG-OG1 3.23Å; T201-T203 PolarHBondContact O-N 2.78Å; T201-D204 PolarHBondContact O-N 2.87Å; T201-D204 PolarHBondContact OG1-N 2.87Å; T201-V205 WeakPolarHBondContact O-CG2 3.47Å; T201-V205 PolarHBondContact O-N 3.48Å
202Y89.2Confident94.5Very high134 Ų13462.9 Ų62.953%0.52532%0.322SS..Hα-helixtrans-47.7-39.4175.2172.1-98.6000113.1D204 K206Y202-D204 PolarHBondContact O-N 2.84Å; Y202-K206 HydrophobicContact CE1-CD 4.29Å; Y202-K206 VanDerWaalsContact O-CB 3.22Å; Y202-K206 WeakPolarHBondContact O-CB 3.29Å; Y202-K206 PolarHBondContact O-N 3.11Å
203T93.3Very high94.5Very high75 Ų7558.7 Ų58.746%0.4631%0.307SS..Hα-helixtrans-64.9-41.5-179.4-60.60000112.2T201 R207T201-T203 PolarHBondContact O-N 2.78Å; T203-R207 VanDerWaalsContact O-CG 3.28Å; T203-R207 WeakPolarHBondContact O-CG 3.46Å; T203-R207 PolarHBondContact O-N 3.08Å; T203-R207 VanDerWaalsContact O-N 3.1Å
204D94.2Very high94.5Very high25 Ų2563.1 Ų63.113%0.13433%0.328CS..Hα-helixtrans-76.1-37.6179.6-75.2-17.7000111.7L197 S199 T201 Y202 R207 L208L197-D204 HydrophobicContact CD1-CB 3.96Å; S199-D204 WeakPolarHBondContact CB-OD2 3.3Å; S199-D204 PolarHBondContact OG-OD2 3.3Å; T201-D204 PolarHBondContact O-N 2.87Å; T201-D204 PolarHBondContact OG1-N 2.87Å; Y202-D204 PolarHBondContact O-N 2.84Å; D204-R207 WeakPolarHBondContact O-CB 3.49Å; D204-R207 PolarHBondContact O-N 3.38Å; D204-R207 IonicContact OD1-CZ 2.72Å; D204-R207 IonicContact OD1-NH1 3.45Å; D204-R207 PolarHBondContact OD1-NH1 2.87Å; D204-L208 PolarHBondContact O-N 2.86Å
205V94.4Very high94.5Very high4 Ų464.7 Ų64.72%0.02433%0.334CS..Hα-helixtrans-63.9-41.2174179.80000111.2T201 L208 S209 A247 V249T201-V205 WeakPolarHBondContact O-CG2 3.47Å; T201-V205 PolarHBondContact O-N 3.48Å; V205-L208 WeakPolarHBondContact O-CB 3.4Å; V205-L208 PolarHBondContact O-N 3.46Å; V205-S209 PolarHBondContact O-N 3.33Å; V205-A247 HydrophobicContact CG1-CB 3.85Å; V205-A247 WeakPolarHBondContact CG1-O 3.43Å; V205-V249 HydrophobicContact CG1-CG2 4.44Å; V205-V249 HydrophobicContact CG2-CB 4.28Å; V205-V249 HydrophobicContact CG2-CG2 3.58Å
206K94.8Very high94.6Very high82 Ų8261.6 Ų61.636%0.35731%0.308SS..Hα-helixtrans-63.7-41.7173.9-171-169.5-177.3-46.50112.1Y202 L208 S209 D210Y202-K206 HydrophobicContact CE1-CD 4.29Å; Y202-K206 VanDerWaalsContact O-CB 3.22Å; Y202-K206 WeakPolarHBondContact O-CB 3.29Å; Y202-K206 PolarHBondContact O-N 3.11Å; K206-L208 VanDerWaalsContact C-N 3.27Å; K206-L208 PolarHBondContact O-N 2.92Å; K206-S209 PolarHBondContact O-N 3.49Å; K206-S209 PolarHBondContact O-OG 2.87Å; K206-D210 IonicContact NZ-OD1 3.7Å; K206-D210 PolarHBondContact NZ-OD1 3.37Å; K206-D210 IonicContact NZ-OD2 2.75Å; K206-D210 PolarHBondContact NZ-OD2 3.5Å; K206-D210 WeakPolarHBondContact O-CB 3.48Å; K206-D210 PolarHBondContact O-N 3.16Å
207R96.4Very high94.7Very high153 Ų15362.5 Ų62.558%0.57730%0.303SS*.Hα-helixtrans-60.8-39.5175.3-77.2171.1-174.4148.60.5111.3T203 D204 D210 A211T203-R207 VanDerWaalsContact O-CG 3.28Å; T203-R207 WeakPolarHBondContact O-CG 3.46Å; T203-R207 PolarHBondContact O-N 3.08Å; T203-R207 VanDerWaalsContact O-N 3.1Å; D204-R207 WeakPolarHBondContact O-CB 3.49Å; D204-R207 PolarHBondContact O-N 3.38Å; D204-R207 IonicContact OD1-CZ 2.72Å; D204-R207 IonicContact OD1-NH1 3.45Å; D204-R207 PolarHBondContact OD1-NH1 2.87Å; R207-D210 PolarHBondContact O-N 3.27Å; R207-A211 WeakPolarHBondContact O-CB 3.29Å; R207-A211 PolarHBondContact O-N 2.93Å
208L97Very high94.9Very high7 Ų765.3 Ų65.34%0.03732%0.316CS..Hα-helixtrans-60.3-52.3174.9173.364.7000111.3E193 V194 L197 D204 V205 K206 D210 A211 I212 A247E193-L208 VanDerWaalsContact C-CD1 3.47Å; E193-L208 HydrophobicContact CB-CD1 3.82Å; E193-L208 WeakPolarHBondContact O-CD1 3.31Å; V194-L208 HydrophobicContact CG2-CD1 4.21Å; V194-L208 HydrophobicContact CG2-CD2 4.26Å; L197-L208 HydrophobicContact CD1-CB 4.22Å; L197-L208 HydrophobicContact CD1-CD2 4.22Å; L197-L208 HydrophobicContact CD2-CD2 4.3Å; D204-L208 PolarHBondContact O-N 2.86Å; V205-L208 WeakPolarHBondContact O-CB 3.4Å; V205-L208 PolarHBondContact O-N 3.46Å; K206-L208 VanDerWaalsContact C-N 3.27Å; K206-L208 PolarHBondContact O-N 2.92Å; L208-D210 VanDerWaalsContact C-N 3.32Å; L208-D210 PolarHBondContact O-N 2.92Å; L208-A211 PolarHBondContact O-N 3.19Å; L208-I212 HydrophobicContact CD1-CD1 3.67Å; L208-I212 HydrophobicContact CD1-CG1 4.16Å; L208-I212 HydrophobicContact CG-CD1 3.9Å; L208-I212 WeakPolarHBondContact O-CG1 3.25Å; L208-I212 PolarHBondContact O-N 2.82Å; L208-A247 HydrophobicContact CD2-CB 4.32Å
209S96.8Very high95.3Very high18 Ų1854.7 Ų54.713%0.12628%0.277CS..Hα-helixtrans-60.8-41.4178.261.50000112.3V205 K206 A213V205-S209 PolarHBondContact O-N 3.33Å; K206-S209 PolarHBondContact O-N 3.49Å; K206-S209 PolarHBondContact O-OG 2.87Å; S209-A213 WeakPolarHBondContact O-CB 3.2Å; S209-A213 PolarHBondContact O-N 2.89Å
210D97.5Very high95.6Very high62 Ų6252.9 Ų52.933%0.33226%0.264SS..Hα-helixtrans-63.9-42.4177.1-70.4-15.1000111.3K206 R207 L208 A213 Q214K206-D210 IonicContact NZ-OD1 3.7Å; K206-D210 PolarHBondContact NZ-OD1 3.37Å; K206-D210 IonicContact NZ-OD2 2.75Å; K206-D210 PolarHBondContact NZ-OD2 3.5Å; K206-D210 WeakPolarHBondContact O-CB 3.48Å; K206-D210 PolarHBondContact O-N 3.16Å; R207-D210 PolarHBondContact O-N 3.27Å; L208-D210 VanDerWaalsContact C-N 3.32Å; L208-D210 PolarHBondContact O-N 2.92Å; D210-A213 PolarHBondContact O-N 3.28Å; D210-Q214 VanDerWaalsContact O-CB 3.3Å; D210-Q214 WeakPolarHBondContact O-CB 3.32Å; D210-Q214 WeakPolarHBondContact O-CG 3.49Å; D210-Q214 PolarHBondContact O-N 3.03Å
211A98Very high95.9Very high30 Ų3056.6 Ų56.625%0.24828%0.276CS..Hα-helixtrans-66.2-44.8-179.900000112E193 R207 L208 Q214 K215E193-A211 WeakPolarHBondContact OE2-CB 3.39Å; R207-A211 WeakPolarHBondContact O-CB 3.29Å; R207-A211 PolarHBondContact O-N 2.93Å; L208-A211 PolarHBondContact O-N 3.19Å; A211-Q214 PolarHBondContact O-N 2.7Å; A211-K215 WeakPolarHBondContact O-CB 3.44Å; A211-K215 PolarHBondContact O-N 3.07Å
212I98.4Very high96.1Very high0 Ų057.7 Ų57.70%028%0.275CS..Hα-helixtrans-60.6-49.5175-67.1166.2000110.1V175 L181 M185 I190 E193 L208 Q214 K215 A216 V245V175-I212 HydrophobicContact CG1-CD1 4.08Å; V175-I212 HydrophobicContact CG2-CD1 4.14Å; L181-I212 HydrophobicContact CD1-CG2 3.49Å; L181-I212 VanDerWaalsContact CD1-CG2 3.49Å; L181-I212 HydrophobicContact CD2-CG2 4.21Å; M185-I212 HydrophobicContact CE-CG2 4.39Å; M185-I212 HydrophobicContact SD-CG2 4.25Å; I190-I212 HydrophobicContact CG2-CD1 4.01Å; E193-I212 HydrophobicContact CB-CD1 4.44Å; E193-I212 HydrophobicContact CB-CG1 3.86Å; E193-I212 HydrophobicContact CG-CG1 4.15Å; L208-I212 HydrophobicContact CD1-CD1 3.67Å; L208-I212 HydrophobicContact CD1-CG1 4.16Å; L208-I212 HydrophobicContact CG-CD1 3.9Å; L208-I212 WeakPolarHBondContact O-CG1 3.25Å; L208-I212 PolarHBondContact O-N 2.82Å; I212-Q214 PolarHBondContact O-N 2.64Å; I212-K215 PolarHBondContact O-N 2.83Å; I212-A216 WeakPolarHBondContact O-CB 3.29Å; I212-A216 PolarHBondContact O-N 3.1Å; I212-V245 HydrophobicContact CB-CG1 4.16Å; I212-V245 HydrophobicContact CG2-CG1 3.91Å; I212-V245 HydrophobicContact CG2-CG2 4.08Å
213A97.9Very high96.1Very high28 Ų2856.3 Ų56.323%0.23128%0.283CS..Hα-helixtrans-61-43.2179.500000112.3S209 D210 K217 V245S209-A213 WeakPolarHBondContact O-CB 3.2Å; S209-A213 PolarHBondContact O-N 2.89Å; D210-A213 PolarHBondContact O-N 3.28Å; A213-K217 WeakPolarHBondContact O-CB 3.42Å; A213-K217 PolarHBondContact O-N 3Å; A213-V245 HydrophobicContact CB-CB 4.24Å; A213-V245 HydrophobicContact CB-CG2 3.79Å
214Q97.8Very high96Very high133 Ų13360.8 Ų60.862%0.62130%0.296SS*.Hα-helixtrans-65.7-42.5177.1-74.5172.638.600112.2D210 A211 I212 K217 M218D210-Q214 VanDerWaalsContact O-CB 3.3Å; D210-Q214 WeakPolarHBondContact O-CB 3.32Å; D210-Q214 WeakPolarHBondContact O-CG 3.49Å; D210-Q214 PolarHBondContact O-N 3.03Å; A211-Q214 PolarHBondContact O-N 2.7Å; I212-Q214 PolarHBondContact O-N 2.64Å; Q214-K217 PolarHBondContact O-N 2.96Å; Q214-M218 WeakPolarHBondContact O-CB 3.46Å; Q214-M218 PolarHBondContact O-N 3.37Å
215K97.9Very high95.8Very high42 Ų4261.3 Ų61.318%0.18330%0.297CS..Hα-helixtrans-64.5-46.7177.2-166.6-176.1-64.8178.50110.3M185 L189 E193 A211 I212 K217 M218 L219M185-K215 HydrophobicContact CE-CB 4.24Å; M185-K215 HydrophobicContact CE-CD 3.64Å; M185-K215 HydrophobicContact CE-CG 4.3Å; M185-K215 HydrophobicContact SD-CB 3.93Å; M185-K215 HydrophobicContact SD-CD 4.05Å; M185-K215 HydrophobicContact SD-CG 4.11Å; L189-K215 HydrophobicContact CB-CD 4.45Å; L189-K215 HydrophobicContact CD1-CD 4.45Å; E193-K215 WeakPolarHBondContact OE1-CE 3.19Å; E193-K215 IonicContact OE1-NZ 2.73Å; E193-K215 PolarHBondContact OE1-NZ 3.47Å; A211-K215 WeakPolarHBondContact O-CB 3.44Å; A211-K215 PolarHBondContact O-N 3.07Å; I212-K215 PolarHBondContact O-N 2.83Å; K215-K217 VanDerWaalsContact C-N 3.31Å; K215-K217 PolarHBondContact O-N 2.96Å; K215-M218 WeakPolarHBondContact O-CB 3.37Å; K215-M218 PolarHBondContact O-N 3.22Å; K215-M218 VanDerWaalsContact O-N 3.16Å; K215-L219 HydrophobicContact CG-CD1 4.24Å; K215-L219 HydrophobicContact CG-CG 4.46Å; K215-L219 VanDerWaalsContact O-CG 3.29Å; K215-L219 WeakPolarHBondContact O-CG 3.35Å; K215-L219 PolarHBondContact O-N 3.18Å
216A97.8Very high95.5Very high0 Ų064.8 Ų64.80%032%0.32CS..Hα-helixtrans-57.1-43.4174.700000111.9L181 M185 I212 M218 L219 S220 I243L181-A216 HydrophobicContact CD1-CB 3.78Å; M185-A216 HydrophobicContact CB-CB 4.33Å; M185-A216 HydrophobicContact SD-CB 4.29Å; I212-A216 WeakPolarHBondContact O-CB 3.29Å; I212-A216 PolarHBondContact O-N 3.1Å; A216-M218 PolarHBondContact O-N 3.07Å; A216-L219 PolarHBondContact O-N 2.91Å; A216-S220 WeakPolarHBondContact O-CB 3.02Å; A216-S220 PolarHBondContact O-N 3.32Å; A216-I243 HydrophobicContact CB-CD1 4.03Å; A216-I243 HydrophobicContact CB-CG2 4.21Å
217K97.5Very high95.4Very high90 Ų9060.9 Ų60.939%0.39130%0.303SS..Hα-helixtrans-63.6-40.9175.9-17558.9170.5-171.90113A213 Q214 K215 S220 Q221 I243A213-K217 WeakPolarHBondContact O-CB 3.42Å; A213-K217 PolarHBondContact O-N 3Å; Q214-K217 PolarHBondContact O-N 2.96Å; K215-K217 VanDerWaalsContact C-N 3.31Å; K215-K217 PolarHBondContact O-N 2.96Å; K217-S220 PolarHBondContact O-N 3.03Å; K217-S220 PolarHBondContact O-OG 2.79Å; K217-Q221 WeakPolarHBondContact O-CG 3.32Å; K217-Q221 PolarHBondContact O-N 3.24Å; K217-I243 HydrophobicContact CB-CD1 4Å; K217-I243 HydrophobicContact CD-CD1 4.15Å
218M97.4Very high95Very high103 Ų10355 Ų5551%0.50729%0.286SS..Hα-helixtrans-63.5-46.2176.1-173.6-154.7-54.900110.7Q214 K215 A216 S220 Q221 K222Q214-M218 WeakPolarHBondContact O-CB 3.46Å; Q214-M218 PolarHBondContact O-N 3.37Å; K215-M218 WeakPolarHBondContact O-CB 3.37Å; K215-M218 PolarHBondContact O-N 3.22Å; K215-M218 VanDerWaalsContact O-N 3.16Å; A216-M218 PolarHBondContact O-N 3.07Å; M218-S220 VanDerWaalsContact C-N 3.32Å; M218-S220 PolarHBondContact O-N 3.45Å; M218-Q221 PolarHBondContact O-N 3.13Å; M218-K222 WeakPolarHBondContact O-CG 3.08Å; M218-K222 PolarHBondContact O-N 3.21Å
219L96.7Very high94.7Very high7 Ų756.3 Ų56.34%0.03729%0.291CS..Hα-helixtrans-65.3-35.5179.4-64.8178000111.9N184 M185 L189 K215 A216 Q221 K222 F225 G238N184-L219 HydrophobicContact CB-CB 4.46Å; N184-L219 VanDerWaalsContact O-CB 3.3Å; N184-L219 WeakPolarHBondContact O-CB 3.24Å; N184-L219 VanDerWaalsContact O-CD1 3.23Å; N184-L219 WeakPolarHBondContact O-CD1 3.23Å; M185-L219 HydrophobicContact CB-CD1 4.3Å; M185-L219 HydrophobicContact CG-CD1 4.18Å; L189-L219 HydrophobicContact CD1-CD1 3.87Å; K215-L219 HydrophobicContact CG-CD1 4.24Å; K215-L219 HydrophobicContact CG-CG 4.46Å; K215-L219 VanDerWaalsContact O-CG 3.29Å; K215-L219 WeakPolarHBondContact O-CG 3.35Å; K215-L219 PolarHBondContact O-N 3.18Å; A216-L219 PolarHBondContact O-N 2.91Å; L219-Q221 PolarHBondContact O-N 2.77Å; L219-Q221 VanDerWaalsContact O-N 3.17Å; L219-K222 HydrophobicContact CD2-CD 3.91Å; L219-K222 PolarHBondContact O-N 2.89Å; L219-K222 VanDerWaalsContact O-N 3.14Å; L219-F225 HydrophobicContact CB-CD1 4.04Å; L219-F225 HydrophobicContact CB-CE1 4.04Å; L219-F225 HydrophobicContact CB-CZ 4.5Å; L219-F225 HydrophobicContact CD1-CE1 4.1Å; L219-F225 HydrophobicContact CD1-CE2 4.38Å; L219-F225 HydrophobicContact CD1-CZ 3.84Å; L219-F225 HydrophobicContact CD2-CD1 4.32Å; L219-F225 HydrophobicContact CD2-CD2 3.83Å; L219-F225 HydrophobicContact CD2-CE1 4.26Å; L219-F225 HydrophobicContact CD2-CE2 3.74Å; L219-F225 HydrophobicContact CD2-CG 4.14Å; L219-F225 HydrophobicContact CD2-CZ 3.97Å; L219-F225 HydrophobicContact CG-CE1 4.34Å; L219-F225 HydrophobicContact CG-CZ 4.3Å; L219-G238 WeakPolarHBondContact O-CA 3.38Å
220S96.1Very high94.4Very high2 Ų255.6 Ų55.61%0.01429%0.286CS..Hα-helixtrans-63.2-20.6177.278.40000114.2N184 A216 K217 M218 G238 K239N184-S220 VanDerWaalsContact ND2-CB 3.32Å; N184-S220 WeakPolarHBondContact ND2-CB 3.14Å; N184-S220 VanDerWaalsContact OD1-CA 3.28Å; N184-S220 WeakPolarHBondContact OD1-CA 3.5Å; N184-S220 WeakPolarHBondContact OD1-CB 3.41Å; A216-S220 WeakPolarHBondContact O-CB 3.02Å; A216-S220 PolarHBondContact O-N 3.32Å; K217-S220 PolarHBondContact O-N 3.03Å; K217-S220 PolarHBondContact O-OG 2.79Å; M218-S220 VanDerWaalsContact C-N 3.32Å; M218-S220 PolarHBondContact O-N 3.45Å; S220-G238 CarbonylContact O-C 3.51Å; S220-G238 VanDerWaalsContact O-C 3.31Å; S220-G238 WeakPolarHBondContact O-CA 3.02Å; S220-K239 WeakPolarHBondContact CB-O 3.41Å
221Q95.7Very high94Very high127 Ų12759.4 Ų59.459%0.59330%0.296SS*.THydrogen-bonded Turntrans-103.9-2.9179.4-63177.6-24.400113.5K217 M218 L219 P223K217-Q221 WeakPolarHBondContact O-CG 3.32Å; K217-Q221 PolarHBondContact O-N 3.24Å; M218-Q221 PolarHBondContact O-N 3.13Å; L219-Q221 PolarHBondContact O-N 2.77Å; L219-Q221 VanDerWaalsContact O-N 3.17Å; Q221-P223 VanDerWaalsContact O-CD 3.32Å; Q221-P223 WeakPolarHBondContact O-CD 3.3Å
222K93.2Very high93.5Very high89 Ų8962.7 Ų62.739%0.38730%0.304SS..  trans-79.5117.7180-80.2-175.5-172.2175.60110.8M218 L219 K224 F225 G237 G238M218-K222 WeakPolarHBondContact O-CG 3.08Å; M218-K222 PolarHBondContact O-N 3.21Å; L219-K222 HydrophobicContact CD2-CD 3.91Å; L219-K222 PolarHBondContact O-N 2.89Å; L219-K222 VanDerWaalsContact O-N 3.14Å; K222-K224 VanDerWaalsContact C-N 3.3Å; K222-K224 PolarHBondContact O-N 3.14Å; K222-F225 HydrophobicContact CB-CB 3.6Å; K222-F225 HydrophobicContact CD-CB 4.44Å; K222-F225 PolarHBondContact O-N 3.17Å; K222-G237 CarbonylContact O-C 3.55Å; K222-G237 WeakPolarHBondContact O-CA 3.45Å; K222-G238 PolarHBondContact O-N 3.28Å
223P89.2Confident93Very high106 Ų10666.4 Ų66.469%0.68832%0.321SS*.THydrogen-bonded Turntrans-66.2-24.1-172.4-24.635000115.9Q221 Q236 G237Q221-P223 VanDerWaalsContact O-CD 3.32Å; Q221-P223 WeakPolarHBondContact O-CD 3.3Å; P223-Q236 CarbonylContact O-C 3.44Å; P223-G237 VanDerWaalsContact C-CA 3.49Å; P223-G237 WeakPolarHBondContact O-CA 3.32Å; P223-G237 PolarHBondContact O-N 3.44Å
224K90.9Very high92.5Very high169 Ų16968.6 Ų68.674%0.73535%0.346SS*.THydrogen-bonded Turntrans-116.59.1-177-64.8-172.5178.2-177.80113.4K222 P226K222-K224 VanDerWaalsContact C-N 3.3Å; K222-K224 PolarHBondContact O-N 3.14Å; K224-P226 WeakPolarHBondContact O-CD 3.06Å
225F90Very high92Very high35 Ų3570.6 Ų70.615%0.15435%0.348CS..  trans-69.1127.8178.9-178.3-110.6000109.6N184 P186 L219 K222 S227 G237N184-F225 WeakPolarHBondContact O-CE1 3.38Å; P186-F225 HydrophobicContact CG-CZ 4.24Å; L219-F225 HydrophobicContact CB-CD1 4.04Å; L219-F225 HydrophobicContact CB-CE1 4.04Å; L219-F225 HydrophobicContact CB-CZ 4.5Å; L219-F225 HydrophobicContact CD1-CE1 4.1Å; L219-F225 HydrophobicContact CD1-CE2 4.38Å; L219-F225 HydrophobicContact CD1-CZ 3.84Å; L219-F225 HydrophobicContact CD2-CD1 4.32Å; L219-F225 HydrophobicContact CD2-CD2 3.83Å; L219-F225 HydrophobicContact CD2-CE1 4.26Å; L219-F225 HydrophobicContact CD2-CE2 3.74Å; L219-F225 HydrophobicContact CD2-CG 4.14Å; L219-F225 HydrophobicContact CD2-CZ 3.97Å; L219-F225 HydrophobicContact CG-CE1 4.34Å; L219-F225 HydrophobicContact CG-CZ 4.3Å; K222-F225 HydrophobicContact CB-CB 3.6Å; K222-F225 HydrophobicContact CD-CB 4.44Å; K222-F225 PolarHBondContact O-N 3.17Å; F225-S227 PolarHBondContact O-N 3.19Å; F225-G237 CarbonylContact O-C 3.3Å; F225-G237 VanDerWaalsContact O-C 3.3Å; F225-G237 WeakPolarHBondContact O-CA 3.19Å; F225-G237 PolarHBondContact O-N 3.13Å
226P89.3Confident91.6Very high78 Ų7875.6 Ų75.651%0.50637%0.372SS..BIsolated β-bridgetrans-78.771176.933.3-35.1000109.5K224 R231K224-P226 WeakPolarHBondContact O-CD 3.06Å; P226-R231 PolarHBondContact O-NH1 3.09Å
227S91Very high91.4Very high0 Ų075.8 Ų75.80%037%0.374CS..  trans-64.9160.4177.570.80000111.7D183 F225 F229 A230 R231 G237D183-S227 VanDerWaalsContact O-CB 3.28Å; D183-S227 WeakPolarHBondContact O-CB 3.27Å; F225-S227 PolarHBondContact O-N 3.19Å; S227-F229 PolarHBondContact O-N 2.92Å; S227-A230 PolarHBondContact O-N 3.07Å; S227-A230 VanDerWaalsContact O-N 3.16Å; S227-A230 WeakPolarHBondContact OG-CB 3.28Å; S227-A230 PolarHBondContact OG-N 2.97Å; S227-R231 PolarHBondContact O-N 3.36Å; S227-G237 WeakPolarHBondContact CB-O 3.23Å; S227-G237 PolarHBondContact OG-O 3.17Å
228S89.8Confident91.1Very high30 Ų3072.2 Ų72.221%0.2136%0.362CS..Hα-helixtrans-58.7-39.8173.6-68.90000110.6D183 R231 K232D183-S228 PolarHBondContact O-N 3.05Å; S228-R231 PolarHBondContact O-N 3.47Å; S228-R231 PolarHBondContact OG-NH2 3.41Å; S228-K232 WeakPolarHBondContact O-CG 3.28Å; S228-K232 PolarHBondContact O-N 3.41Å
229F90.1Very high90.9Very high34 Ų3468.2 Ų68.215%0.14934%0.342CS..Hα-helixtrans-56.7-53.5170.3172.4-96.8000112.5D183 S227 R231 K232 F233 K239D183-F229 HydrophobicContact CB-CB 4.02Å; D183-F229 PolarHBondContact O-N 3.05Å; S227-F229 PolarHBondContact O-N 2.92Å; F229-R231 VanDerWaalsContact C-N 3.28Å; F229-R231 PolarHBondContact O-N 3.05Å; F229-K232 PolarHBondContact O-N 2.94Å; F229-K232 VanDerWaalsContact O-N 3.11Å; F229-F233 AromaticContact CD2-CD2 3.6Å; F229-F233 HydrophobicContact CD2-CD2 3.6Å; F229-F233 AromaticContact CD2-CE2 3.59Å; F229-F233 HydrophobicContact CD2-CE2 3.59Å; F229-F233 HydrophobicContact CE1-CD2 4.42Å; F229-F233 AromaticContact CE2-CD2 3.45Å; F229-F233 HydrophobicContact CE2-CD2 3.45Å; F229-F233 VanDerWaalsContact CE2-CD2 3.45Å; F229-F233 AromaticContact CE2-CE2 3.45Å; F229-F233 HydrophobicContact CE2-CE2 3.45Å; F229-F233 VanDerWaalsContact CE2-CE2 3.45Å; F229-F233 HydrophobicContact CE2-CG 4.5Å; F229-F233 HydrophobicContact CE2-CZ 4.47Å; F229-F233 HydrophobicContact CG-CD2 4.16Å; F229-F233 AromaticContact CZ-CD2 3.9Å; F229-F233 HydrophobicContact CZ-CD2 3.9Å; F229-F233 HydrophobicContact CZ-CE2 4.29Å; F229-F233 VanDerWaalsContact O-CD2 3.28Å; F229-F233 WeakPolarHBondContact O-CD2 3.48Å; F229-F233 PolarHBondContact O-N 2.81Å; F229-F233 VanDerWaalsContact O-N 3.13Å; F229-K239 HydrophobicContact CB-CB 3.95Å; F229-K239 HydrophobicContact CB-CD 4.43Å; F229-K239 HydrophobicContact CD1-CB 3.73Å; F229-K239 HydrophobicContact CD1-CG 4.26Å; F229-K239 HydrophobicContact CD2-CB 4.04Å; F229-K239 HydrophobicContact CD2-CD 3.61Å; F229-K239 HydrophobicContact CD2-CG 3.86Å; F229-K239 HydrophobicContact CE1-CB 4.21Å; F229-K239 HydrophobicContact CE1-CG 4.37Å; F229-K239 HydrophobicContact CE2-CB 4.48Å; F229-K239 HydrophobicContact CE2-CD 3.99Å; F229-K239 HydrophobicContact CE2-CG 3.98Å; F229-K239 HydrophobicContact CG-CB 3.64Å; F229-K239 HydrophobicContact CG-CD 4.06Å; F229-K239 HydrophobicContact CG-CG 4.01Å; F229-K239 HydrophobicContact CZ-CG 4.23Å
230A89.9Confident90.7Very high2 Ų272.8 Ų72.82%0.01737%0.372CS..Hα-helixtrans-57-42-179.400000112.2S227 F233 G234 R235 G237S227-A230 PolarHBondContact O-N 3.07Å; S227-A230 VanDerWaalsContact O-N 3.16Å; S227-A230 WeakPolarHBondContact OG-CB 3.28Å; S227-A230 PolarHBondContact OG-N 2.97Å; A230-F233 PolarHBondContact O-N 3.11Å; A230-G234 PolarHBondContact O-N 2.98Å; A230-R235 WeakPolarHBondContact CB-O 3.4Å; A230-R235 PolarHBondContact O-N 3.12Å; A230-G237 WeakPolarHBondContact CB-O 3.36Å
231R89.5Confident90.5Very high143 Ų14374.6 Ų74.654%0.5438%0.382SS..Hα-helixtrans-62.3-46.2175.5-71.8-172.8-69.8-99.91.2112.3P226 S227 S228 F229 F233 G234P226-R231 PolarHBondContact O-NH1 3.09Å; S227-R231 PolarHBondContact O-N 3.36Å; S228-R231 PolarHBondContact O-N 3.47Å; S228-R231 PolarHBondContact OG-NH2 3.41Å; F229-R231 VanDerWaalsContact C-N 3.28Å; F229-R231 PolarHBondContact O-N 3.05Å; R231-F233 PolarHBondContact O-N 2.75Å; R231-G234 PolarHBondContact O-N 3.06Å
232K87.8Confident90.4Very high99 Ų9971.2 Ų71.243%0.4337%0.368SS..Hα-helixtrans-59.4-33.8178.8-73.2175.6-177.8-178.80112.5A136 S228 F229A136-K232 HydrophobicContact CB-CB 4.38Å; S228-K232 WeakPolarHBondContact O-CG 3.28Å; S228-K232 PolarHBondContact O-N 3.41Å; F229-K232 PolarHBondContact O-N 2.94Å; F229-K232 VanDerWaalsContact O-N 3.11Å
233F87.9Confident90.5Very high77 Ų7768.8 Ų68.834%0.33836%0.359SS..Hα-helixtrans-104.32.8-176.3-69.2-73000115.6A136 N137 F229 A230 R231 R235A136-F233 HydrophobicContact CB-CE1 4.22Å; A136-F233 HydrophobicContact CB-CE2 4.47Å; A136-F233 HydrophobicContact CB-CZ 3.84Å; A136-F233 WeakPolarHBondContact O-CZ 3.41Å; N137-F233 HydrophobicContact CB-CE2 3.68Å; N137-F233 HydrophobicContact CB-CZ 3.38Å; F229-F233 AromaticContact CD2-CD2 3.6Å; F229-F233 HydrophobicContact CD2-CD2 3.6Å; F229-F233 AromaticContact CD2-CE2 3.59Å; F229-F233 HydrophobicContact CD2-CE2 3.59Å; F229-F233 HydrophobicContact CE1-CD2 4.42Å; F229-F233 AromaticContact CE2-CD2 3.45Å; F229-F233 HydrophobicContact CE2-CD2 3.45Å; F229-F233 VanDerWaalsContact CE2-CD2 3.45Å; F229-F233 AromaticContact CE2-CE2 3.45Å; F229-F233 HydrophobicContact CE2-CE2 3.45Å; F229-F233 VanDerWaalsContact CE2-CE2 3.45Å; F229-F233 HydrophobicContact CE2-CG 4.5Å; F229-F233 HydrophobicContact CE2-CZ 4.47Å; F229-F233 HydrophobicContact CG-CD2 4.16Å; F229-F233 AromaticContact CZ-CD2 3.9Å; F229-F233 HydrophobicContact CZ-CD2 3.9Å; F229-F233 HydrophobicContact CZ-CE2 4.29Å; F229-F233 VanDerWaalsContact O-CD2 3.28Å; F229-F233 WeakPolarHBondContact O-CD2 3.48Å; F229-F233 PolarHBondContact O-N 2.81Å; F229-F233 VanDerWaalsContact O-N 3.13Å; A230-F233 PolarHBondContact O-N 3.11Å; R231-F233 PolarHBondContact O-N 2.75Å; F233-R235 HydrophobicContact CB-CG 4.05Å; F233-R235 PolarHBondContact O-N 3.33Å
234G87.2Confident90.8Very high75 Ų7564.8 Ų64.877%0.77333%0.333SS*.THydrogen-bonded Turntrans59.831.9-173.700000113.2A230 R231A230-G234 PolarHBondContact O-N 2.98Å; R231-G234 PolarHBondContact O-N 3.06Å
235R88Confident91.2Very high174 Ų17457.8 Ų57.866%0.65730%0.304SS*.  trans-108.4-179.5179.5-66.8-177.4-178.7-175.71.3110.6A230 F233A230-R235 WeakPolarHBondContact CB-O 3.4Å; A230-R235 PolarHBondContact O-N 3.12Å; F233-R235 HydrophobicContact CB-CG 4.05Å; F233-R235 PolarHBondContact O-N 3.33Å
236Q88.8Confident91.5Very high148 Ų14857.2 Ų57.269%0.69230%0.302SS*.  trans-119.1148.9169.3-67-173.9-11.300109.5P223P223-Q236 CarbonylContact O-C 3.44Å
237G92.6Very high91.8Very high3 Ų354.1 Ų54.13%0.03128%0.283CS..BIsolated β-bridgetrans103.2173.7170.300000114.8K222 P223 F225 S227 A230K222-G237 CarbonylContact O-C 3.55Å; K222-G237 WeakPolarHBondContact O-CA 3.45Å; P223-G237 VanDerWaalsContact C-CA 3.49Å; P223-G237 WeakPolarHBondContact O-CA 3.32Å; P223-G237 PolarHBondContact O-N 3.44Å; F225-G237 CarbonylContact O-C 3.3Å; F225-G237 VanDerWaalsContact O-C 3.3Å; F225-G237 WeakPolarHBondContact O-CA 3.19Å; F225-G237 PolarHBondContact O-N 3.13Å; S227-G237 WeakPolarHBondContact CB-O 3.23Å; S227-G237 PolarHBondContact OG-O 3.17Å; A230-G237 WeakPolarHBondContact CB-O 3.36Å
238G92.7Very high92Very high15 Ų1554.2 Ų54.216%0.15528%0.284CS..  trans-73.7166.217200000113.5N184 L219 S220 K222 P240N184-G238 WeakPolarHBondContact OD1-CA 3.28Å; L219-G238 WeakPolarHBondContact O-CA 3.38Å; S220-G238 CarbonylContact O-C 3.51Å; S220-G238 VanDerWaalsContact O-C 3.31Å; S220-G238 WeakPolarHBondContact O-CA 3.02Å; K222-G238 PolarHBondContact O-N 3.28Å; G238-P240 WeakPolarHBondContact O-CD 3.18Å
239K93.3Very high92.2Very high19 Ų1953.1 Ų53.18%0.08328%0.276CS..  trans-102.2105.5171.6-175.5-164.4-178.4-164.70109N137 D179 D183 N184 S220 F229 D241N137-K239 WeakPolarHBondContact OD1-CE 3Å; N137-K239 PolarHBondContact OD1-NZ 2.77Å; D179-K239 IonicContact OD2-NZ 2.91Å; D179-K239 PolarHBondContact OD2-NZ 2.89Å; D183-K239 HydrophobicContact CB-CB 4.49Å; D183-K239 HydrophobicContact CB-CD 4.04Å; D183-K239 WeakPolarHBondContact OD2-CD 3.34Å; D183-K239 WeakPolarHBondContact OD2-CE 3.38Å; D183-K239 IonicContact OD2-NZ 3.01Å; D183-K239 PolarHBondContact OD2-NZ 3.38Å; N184-K239 PolarHBondContact ND2-O 3.05Å; N184-K239 PolarHBondContact OD1-N 2.89Å; N184-K239 PolarHBondContact OD1-O 3.16Å; S220-K239 WeakPolarHBondContact CB-O 3.41Å; F229-K239 HydrophobicContact CB-CB 3.95Å; F229-K239 HydrophobicContact CB-CD 4.43Å; F229-K239 HydrophobicContact CD1-CB 3.73Å; F229-K239 HydrophobicContact CD1-CG 4.26Å; F229-K239 HydrophobicContact CD2-CB 4.04Å; F229-K239 HydrophobicContact CD2-CD 3.61Å; F229-K239 HydrophobicContact CD2-CG 3.86Å; F229-K239 HydrophobicContact CE1-CB 4.21Å; F229-K239 HydrophobicContact CE1-CG 4.37Å; F229-K239 HydrophobicContact CE2-CB 4.48Å; F229-K239 HydrophobicContact CE2-CD 3.99Å; F229-K239 HydrophobicContact CE2-CG 3.98Å; F229-K239 HydrophobicContact CG-CB 3.64Å; F229-K239 HydrophobicContact CG-CD 4.06Å; F229-K239 HydrophobicContact CG-CG 4.01Å; F229-K239 HydrophobicContact CZ-CG 4.23Å; K239-D241 WeakPolarHBondContact CE-OD2 3.34Å; K239-D241 IonicContact NZ-OD2 2.77Å; K239-D241 PolarHBondContact NZ-OD2 3Å; K239-D241 PolarHBondContact O-N 2.66Å; K239-D241 VanDerWaalsContact O-N 3.08Å
240P91.9Very high92.3Very high103 Ų10352.9 Ų52.967%0.66928%0.277SS*.  trans-63.3112174.5-20.733000110.2G238G238-P240 WeakPolarHBondContact O-CD 3.18Å
241D91.6Very high92.2Very high41 Ų4153.9 Ų53.922%0.21929%0.285CS..  trans-144.2172.5-176.5-140.3-24.3000112.3K239K239-D241 WeakPolarHBondContact CE-OD2 3.34Å; K239-D241 IonicContact NZ-OD2 2.77Å; K239-D241 PolarHBondContact NZ-OD2 3Å; K239-D241 PolarHBondContact O-N 2.66Å; K239-D241 VanDerWaalsContact O-N 3.08Å
242D92.9Very high91.9Very high55 Ų5556.8 Ų56.829%0.29430%0.296SS..  trans-71.7127.5168.4-64.9-40.6000109.4M1 T178M1-D242 WeakPolarHBondContact CA-OD2 3.48Å; M1-D242 PolarHBondContact N-OD2 2.9Å; T178-D242 PolarHBondContact OG1-O 3.2Å
243I96Very high91.1Very high39 Ų3955.8 Ų55.820%0.230%0.298CS..  trans-119.9116.1-174.8-58.1176.4000108.6A216 K217 V245A216-I243 HydrophobicContact CB-CD1 4.03Å; A216-I243 HydrophobicContact CB-CG2 4.21Å; K217-I243 HydrophobicContact CB-CD1 4Å; K217-I243 HydrophobicContact CD-CD1 4.15Å; I243-V245 HydrophobicContact CG2-CG2 4.09Å
244T96.5Very high89.9Confident22 Ų2254.1 Ų54.114%0.13530%0.303CS..  trans-116.6136.2168.5-61.10000109.1S2 Y4 V17 G177 T178S2-T244 WeakPolarHBondContact CB-OG1 3.41Å; Y4-T244 HydrophobicContact CD1-CG2 4.24Å; V17-T244 HydrophobicContact CG1-CG2 3.93Å; G177-T244 WeakPolarHBondContact CA-O 3.28Å; T178-T244 PolarHBondContact N-O 2.77Å; T178-T244 PolarHBondContact OG1-N 3.11Å; T178-T244 VanDerWaalsContact OG1-N 3.16Å
245V97.7Very high88Confident22 Ų2263.2 Ų63.213%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-135.4130.4175.8-175.30000108.2V175 M176 L181 I212 A213 I243V175-V245 HydrophobicContact CG1-CG1 4.18Å; M176-V245 CarbonylContact O-C 3.53Å; M176-V245 WeakPolarHBondContact O-CA 3.21Å; L181-V245 HydrophobicContact CD1-CG2 4.44Å; L181-V245 HydrophobicContact CD2-CG2 4.18Å; I212-V245 HydrophobicContact CB-CG1 4.16Å; I212-V245 HydrophobicContact CG2-CG1 3.91Å; I212-V245 HydrophobicContact CG2-CG2 4.08Å; A213-V245 HydrophobicContact CB-CB 4.24Å; A213-V245 HydrophobicContact CB-CG2 3.79Å; I243-V245 HydrophobicContact CG2-CG2 4.09Å
246I96.8Very high85.9Confident23 Ų2363 Ų6312%0.11832%0.32CS..EExtended strand (participates in β ladder)trans-121.5132.7170.8-50.8175000106.8Y4 L15 V17 V175 M176Y4-I246 HydrophobicContact CD2-CD1 4.23Å; Y4-I246 HydrophobicContact CG-CD1 4.28Å; L15-I246 HydrophobicContact CB-CD1 4.48Å; L15-I246 HydrophobicContact CD1-CG2 3.96Å; L15-I246 HydrophobicContact CD2-CG2 4.29Å; V17-I246 HydrophobicContact CG1-CD1 3.77Å; V17-I246 HydrophobicContact CG1-CG1 4.35Å; V175-I246 WeakPolarHBondContact CA-O 3.37Å; M176-I246 HydrophobicContact CB-CB 4.24Å; M176-I246 PolarHBondContact N-O 2.85Å; M176-I246 PolarHBondContact O-N 3.07Å; M176-I246 HydrophobicContact SD-CD1 4.27Å
247A96.2Very high83.6Confident13 Ų1358.6 Ų58.611%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-118.4142.1170.700000109V174 V205 L208V174-A247 CarbonylContact O-C 3.53Å; V174-A247 VanDerWaalsContact O-CA 3.27Å; V174-A247 WeakPolarHBondContact O-CA 3.11Å; V205-A247 HydrophobicContact CG1-CB 3.85Å; V205-A247 WeakPolarHBondContact CG1-O 3.43Å; L208-A247 HydrophobicContact CD2-CB 4.32Å
248A94.5Very high81.3Confident1 Ų162 Ų621%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-141.5152.4173.100000109.6L13 L15 L100 C173 V174 V261L13-A248 HydrophobicContact CD2-CB 3.94Å; L15-A248 HydrophobicContact CD1-CB 3.9Å; L100-A248 HydrophobicContact CD2-CB 4.47Å; C173-A248 WeakPolarHBondContact CA-O 3.36Å; V174-A248 HydrophobicContact CB-CB 4.47Å; V174-A248 PolarHBondContact N-O 3.28Å; V174-A248 PolarHBondContact O-N 2.97Å; A248-V261 WeakPolarHBondContact CA-OXT 3.46Å
249V93.7Very high78.8Confident7 Ų768.1 Ų68.14%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-129.1134.4-179.8179.40000110.9D172 C173 L197 C200 V205 A251D172-V249 WeakPolarHBondContact O-CA 3.21Å; C173-V249 HydrophobicContact CB-CG2 4.23Å; L197-V249 HydrophobicContact CD2-CG2 3.94Å; C200-V249 HydrophobicContact CB-CB 4.33Å; C200-V249 HydrophobicContact CB-CG1 3.74Å; V205-V249 HydrophobicContact CG1-CG2 4.44Å; V205-V249 HydrophobicContact CG2-CB 4.28Å; V205-V249 HydrophobicContact CG2-CG2 3.58Å; V249-A251 PolarHBondContact O-N 3.39Å
250V92.8Very high76.3Confident29 Ų2968.4 Ų68.418%0.17637%0.37CS..  trans-72.3101.4174.3-176.40000108.6L100 V168 D169 I170 G171 D172L100-V250 HydrophobicContact CD2-CG2 4.4Å; V168-V250 HydrophobicContact CB-CG2 4.09Å; V168-V250 HydrophobicContact CG2-CG1 4.45Å; V168-V250 HydrophobicContact CG2-CG2 4Å; D169-V250 WeakPolarHBondContact O-CB 3.22Å; D169-V250 WeakPolarHBondContact O-CG1 3.37Å; I170-V250 CarbonylContact C-O 3.57Å; I170-V250 WeakPolarHBondContact CA-O 3.1Å; G171-V250 PolarHBondContact N-O 3.3Å; D172-V250 HydrophobicContact CB-CB 4.37Å; D172-V250 HydrophobicContact CB-CG2 4.09Å; D172-V250 PolarHBondContact O-N 3.11Å
251A88.3Confident73.6Confident23 Ų2365.4 Ų65.419%0.1935%0.35CS..  trans-114.5154.9-177.500000112.7C200 V249 A260C200-A251 HydrophobicContact CB-CB 4.37Å; V249-A251 PolarHBondContact O-N 3.39Å; A251-A260 HydrophobicContact CB-CB 3.64Å
252R82.2Confident72.7Confident205 Ų20566.7 Ų66.777%0.77436%0.356SS*.PPolyproline II helixtrans-64.7139.5167.6-74.9-174.7177.3166.52.9109.9I170 G254I170-R252 HydrophobicContact CD1-CG 3.44Å; I170-R252 VanDerWaalsContact CD1-CG 3.44Å; I170-R252 HydrophobicContact CG1-CG 4.1Å; I170-R252 HydrophobicContact CG2-CG 4.18Å; R252-G254 PolarHBondContact O-N 3.42Å
253V71.2Confident71.6Confident77 Ų7767.3 Ų67.347%0.46736%0.36SS..PPolyproline II helixtrans-73.6118.4168.6171.40000108.5
254G62.4Low70.3Confident43 Ų4368.8 Ų68.844%0.44337%0.369SS..PPolyproline II helixtrans-63.9160.1166.500000111.2R252 E256R252-G254 PolarHBondContact O-N 3.42Å; G254-E256 CarbonylContact C-O 3.59Å; G254-E256 PolarHBondContact O-N 2.98Å; G254-E256 VanDerWaalsContact O-N 3.15Å
255R47.1Very low68.8Low266 Ų26671.6 Ų71.6100%1.00438%0.382SS*.SBendtrans-61.3-17.9172.5-78-174.4175.4179.2-1112.9
256E44.2Very low67Low169 Ų16974.7 Ų74.779%0.7940%0.398SS*.SBendtrans-111.7121.5168.4-60.5-172.417500106.3G254G254-E256 CarbonylContact C-O 3.59Å; G254-E256 PolarHBondContact O-N 2.98Å; G254-E256 VanDerWaalsContact O-N 3.15Å
257G42Very low65Low56 Ų5678.1 Ų78.158%0.57742%0.416SS*.SBendtrans-60141.4-158.800000115.8D259G257-D259 PolarHBondContact O-N 2.88Å
258V44.1Very low62.7Low75 Ų7582.8 Ų82.846%0.45544%0.439SS..  trans48.761.5154.6-155.70000116.1A260 V261V258-A260 PolarHBondContact O-N 3.3Å; V258-V261 HydrophobicContact CG1-CG2 4.02Å
259D38.8Very low60.3Low142 Ų14289.1 Ų89.176%0.75947%0.472SS*.SBendtrans-83.96.2168.3-87.4-23.1000114.2G257G257-D259 PolarHBondContact O-N 2.88Å
260A40.5Very low57.5Low25 Ų2595.9 Ų95.921%0.20751%0.507CS..  trans-137.4108.4176.500000109.2C200 A251 V258C200-A260 WeakPolarHBondContact O-CB 3.5Å; A251-A260 HydrophobicContact CB-CB 3.64Å; V258-A260 PolarHBondContact O-N 3.3Å
261V36.4Very low54.3Low41 Ų41102 Ų10225%0.24854%0.538CS..  trans-1080156.4-177.60000105.7L6 V8 L13 A248 V258L6-V261 HydrophobicContact CD1-CG1 3.9Å; L6-V261 HydrophobicContact CD2-CG1 4.43Å; V8-V261 HydrophobicContact CG2-CG1 4.48Å; V8-V261 HydrophobicContact CG2-CG2 4.28Å; L13-V261 HydrophobicContact CD1-CG1 4Å; L13-V261 HydrophobicContact CD2-CG1 4.36Å; A248-V261 WeakPolarHBondContact CA-OXT 3.46Å; V258-V261 HydrophobicContact CG1-CG2 4.02Å

Retrieved 261 of 261 residues in 143.8 ms (Link to these results)

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