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Phosphoglycerate kinase

Involved in the seventh step in glycolysis1. Catalyzes the conversion of 1,3-bisphosphoglycerate ((2R)-3-phospho-glyceroyl phosphate) to 3-phosphoglycerate ((2R)-3-phosphoglycerate) and results in the formation of ATP2. Associated with the tegument to provide the energy needed for the tegumental repair resulting from immune damage3.

AlphaFold DB , UniProt , Accession P41759, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene PGK, Length 416 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
1M50.9Low88.7Confident168 Ų16846.9 Ų46.983%0.82828%0.281SS*.  0123.10-80175.7-173.300107
2G71.3Confident89.5Confident39 Ų3951.9 Ų51.940%0.40231%0.306SS..  trans-76166.1-177.500000112.1S4G2-S4 PolarHBondContact O-N 3.44Å
3L84.8Confident90.1Very high25 Ų2548.1 Ų48.113%0.13128%0.283CS..SBendtrans-74.5-7.3172.7-69.3168.6000113.1K5 L192 F195 A196 E200 L400L3-K5 PolarHBondContact O-N 2.9Å; L3-L192 HydrophobicContact CD2-CD2 3.85Å; L3-F195 HydrophobicContact CD1-CB 4.23Å; L3-A196 HydrophobicContact CB-CB 3.91Å; L3-A196 HydrophobicContact CD1-CB 4.05Å; L3-E200 PolarHBondContact N-OE1 3.41Å; L3-L400 HydrophobicContact CD1-CD1 4.41Å; L3-L400 HydrophobicContact CD2-CD1 3.66Å; L3-L400 HydrophobicContact CD2-CD2 4.4Å
4S89.9Confident90.7Very high81 Ų8156 Ų5657%0.56631%0.312SS*.  trans-73115.6174.8-164.70000111.5G2 A415G2-S4 PolarHBondContact O-N 3.44Å; S4-A415 PolarHBondContact O-N 2.98Å; S4-A415 WeakPolarHBondContact OG-CB 3.32Å
5K94.6Very high91.2Very high9 Ų955.3 Ų55.34%0.03932%0.322CS..BIsolated β-bridgetrans-125153.8-178.7-64.1-60.1-175.8166.70110.2L3 S7 L192 V409 L412 D414L3-K5 PolarHBondContact O-N 2.9Å; K5-S7 PolarHBondContact O-N 3.35Å; K5-S7 VanDerWaalsContact O-N 3.14Å; K5-L192 HydrophobicContact CB-CD1 4.35Å; K5-L192 HydrophobicContact CG-CD1 4.01Å; K5-V409 HydrophobicContact CD-CG1 4.49Å; K5-V409 WeakPolarHBondContact CE-O 3.49Å; K5-V409 HydrophobicContact CG-CG1 4.03Å; K5-V409 PolarHBondContact NZ-O 3.19Å; K5-L412 HydrophobicContact CB-CB 4.33Å; K5-L412 HydrophobicContact CB-CD1 4.41Å; K5-L412 HydrophobicContact CD-CB 4.04Å; K5-L412 HydrophobicContact CG-CB 4.2Å; K5-L412 HydrophobicContact CG-CD1 4.43Å; K5-L412 PolarHBondContact NZ-O 3.33Å; K5-L412 VanDerWaalsContact NZ-O 3.15Å; K5-D414 WeakPolarHBondContact CE-OD1 3.38Å; K5-D414 IonicContact NZ-OD1 3.62Å; K5-D414 PolarHBondContact NZ-OD1 2.94Å
6L96.7Very high91.7Very high26 Ų2656.9 Ų56.914%0.13632%0.324CS..  trans-52.8118.7174.6-18067.7000109.3D10 V11 Q181 A183 C184 T413L6-D10 HydrophobicContact CD1-CB 3.9Å; L6-V11 HydrophobicContact CD1-CG2 4.3Å; L6-V11 HydrophobicContact CD2-CG2 3.78Å; L6-V11 HydrophobicContact CG-CG2 3.94Å; L6-Q181 HydrophobicContact CD2-CB 4.26Å; L6-Q181 HydrophobicContact CD2-CG 4.49Å; L6-A183 HydrophobicContact CB-CB 4.5Å; L6-A183 HydrophobicContact CD2-CB 4.28Å; L6-A183 HydrophobicContact CG-CB 4.12Å; L6-A183 CarbonylContact O-C 3.54Å; L6-A183 WeakPolarHBondContact O-CA 3.43Å; L6-A183 VanDerWaalsContact O-CB 3.24Å; L6-A183 WeakPolarHBondContact O-CB 3.49Å; L6-C184 PolarHBondContact O-N 3.34Å; L6-C184 PolarHBondContact O-SG 3.37Å; L6-T413 HydrophobicContact CB-CG2 4.34Å; L6-T413 HydrophobicContact CD2-CG2 4.16Å; L6-T413 PolarHBondContact N-O 3.05Å
7S97.3Very high92.1Very high4 Ų455.8 Ų55.83%0.02831%0.314CS..BIsolated β-bridgetrans-84.1149.4176.4167.80000110.3K5 S9 D10K5-S7 PolarHBondContact O-N 3.35Å; K5-S7 VanDerWaalsContact O-N 3.14Å; S7-S9 VanDerWaalsContact CB-OG 3.3Å; S7-S9 WeakPolarHBondContact CB-OG 3.32Å; S7-S9 PolarHBondContact O-N 3.17Å; S7-S9 PolarHBondContact OG-N 3.03Å; S7-S9 VanDerWaalsContact OG-N 3.13Å; S7-S9 PolarHBondContact OG-OG 3.46Å; S7-D10 WeakPolarHBondContact CB-OD2 3.47Å; S7-D10 PolarHBondContact O-N 2.84Å
8I98.3Very high92.5Very high0 Ų052.7 Ų52.70%030%0.296CS..G310 helixtrans-52.3-26.9169.3-170.6174.3000111.8D10 V11 L13 T45 Y48 A49 V160 C184 F186I8-D10 PolarHBondContact O-N 3.31Å; I8-V11 PolarHBondContact O-N 3Å; I8-L13 HydrophobicContact CD1-CD1 4.01Å; I8-L13 HydrophobicContact CG1-CD1 3.76Å; I8-T45 HydrophobicContact CD1-CG2 3.72Å; I8-Y48 HydrophobicContact CD1-CD1 4.13Å; I8-Y48 HydrophobicContact CG1-CD1 4.03Å; I8-Y48 HydrophobicContact CG1-CE1 4.23Å; I8-Y48 HydrophobicContact CG2-CD1 4.21Å; I8-Y48 HydrophobicContact CG2-CE1 4.43Å; I8-Y48 WeakPolarHBondContact O-CE1 3.3Å; I8-A49 HydrophobicContact CD1-CB 4.22Å; I8-V160 HydrophobicContact CB-CG1 4.43Å; I8-V160 HydrophobicContact CD1-CG1 4.22Å; I8-V160 HydrophobicContact CD1-CG2 3.98Å; I8-V160 HydrophobicContact CG1-CG2 4.15Å; I8-C184 PolarHBondContact N-O 2.76Å; I8-F186 HydrophobicContact CG2-CD1 4.1Å; I8-F186 HydrophobicContact CG2-CE1 3.82Å; I8-F186 HydrophobicContact CG2-CE2 4.48Å; I8-F186 HydrophobicContact CG2-CZ 4.03Å
9S97.3Very high92.8Very high49 Ų4949.9 Ų49.934%0.34328%0.281SS..G310 helixtrans-61.8-25.7175.657.90000114.3S7 Y48S7-S9 VanDerWaalsContact CB-OG 3.3Å; S7-S9 WeakPolarHBondContact CB-OG 3.32Å; S7-S9 PolarHBondContact O-N 3.17Å; S7-S9 PolarHBondContact OG-N 3.03Å; S7-S9 VanDerWaalsContact OG-N 3.13Å; S7-S9 PolarHBondContact OG-OG 3.46Å; S9-Y48 WeakPolarHBondContact CA-OH 3.45Å; S9-Y48 PolarHBondContact O-OH 3.32Å
10D96.9Very high93.1Very high104 Ų10447.4 Ų47.456%0.55627%0.266SS*.G310 helixtrans-105.210.9-170-45.8-32000111.4L6 S7 I8L6-D10 HydrophobicContact CD1-CB 3.9Å; S7-D10 WeakPolarHBondContact CB-OD2 3.47Å; S7-D10 PolarHBondContact O-N 2.84Å; I8-D10 PolarHBondContact O-N 3.31Å
11V97.5Very high93.4Very high11 Ų1145.1 Ų45.17%0.06725%0.254CS..SBendtrans-110.1135.5179.3-177.40000110.1L6 I8 L13 V158 Q181 A183L6-V11 HydrophobicContact CD1-CG2 4.3Å; L6-V11 HydrophobicContact CD2-CG2 3.78Å; L6-V11 HydrophobicContact CG-CG2 3.94Å; I8-V11 PolarHBondContact O-N 3Å; V11-L13 HydrophobicContact CB-CD2 4.08Å; V11-L13 HydrophobicContact CG1-CD2 3.73Å; V11-L13 PolarHBondContact O-N 3.42Å; V11-V158 HydrophobicContact CG1-CG1 3.89Å; V11-V158 HydrophobicContact CG1-CG2 3.95Å; V11-Q181 HydrophobicContact CG1-CB 4.42Å; V11-A183 HydrophobicContact CG2-CB 3.93Å
12D97.9Very high95.6Very high107 Ų10737.1 Ų37.157%0.57221%0.214SC*.  trans-74.8108.5169-179.418.4000110.4K14D12-K14 WeakPolarHBondContact OD1-CB 3.43Å; D12-K14 PolarHBondContact OD1-N 3.3Å
13L98.4Very high96.8Very high2 Ų236 Ų361%0.0120%0.199CC..  trans-94.6-7-178.6-55.5178.8000112.6I8 V11 G15 K16 V18 Y48 A49 K52 A54 V158I8-L13 HydrophobicContact CD1-CD1 4.01Å; I8-L13 HydrophobicContact CG1-CD1 3.76Å; V11-L13 HydrophobicContact CB-CD2 4.08Å; V11-L13 HydrophobicContact CG1-CD2 3.73Å; V11-L13 PolarHBondContact O-N 3.42Å; L13-G15 PolarHBondContact O-N 2.91Å; L13-G15 VanDerWaalsContact O-N 3.16Å; L13-K16 WeakPolarHBondContact O-CB 3.33Å; L13-K16 PolarHBondContact O-N 3.48Å; L13-V18 HydrophobicContact CD2-CG2 3.95Å; L13-Y48 HydrophobicContact CD1-CD1 4.22Å; L13-Y48 HydrophobicContact CD1-CE1 4.19Å; L13-A49 HydrophobicContact CD1-CB 4.08Å; L13-K52 HydrophobicContact CB-CB 4.2Å; L13-K52 HydrophobicContact CD1-CB 4.22Å; L13-A54 VanDerWaalsContact O-CA 3.25Å; L13-A54 WeakPolarHBondContact O-CA 3.34Å; L13-A54 PolarHBondContact O-N 2.93Å; L13-V158 HydrophobicContact CD2-CG1 4.23Å; L13-V158 HydrophobicContact CD2-CG2 4.41Å
14K98.3Very high97.4Very high159 Ų15934.8 Ų34.869%0.69119%0.193SC*.THydrogen-bonded Turntrans-62.6120.6-170.7-170.8177.2180179.90111.3D12 K16 G53D12-K14 WeakPolarHBondContact OD1-CB 3.43Å; D12-K14 PolarHBondContact OD1-N 3.3Å; K14-K16 PolarHBondContact O-N 3.45Å; K14-G53 WeakPolarHBondContact CA-O 3.38Å
15G98.2Very high97.7Very high45 Ų4533.4 Ų33.446%0.46418%0.179SC..THydrogen-bonded Turntrans70.64.1-178.300000114.9L13 G53 K55L13-G15 PolarHBondContact O-N 2.91Å; L13-G15 VanDerWaalsContact O-N 3.16Å; G15-G53 PolarHBondContact N-O 3.31Å; G15-K55 WeakPolarHBondContact O-CB 3.3Å
16K98.5Very high97.7Very high82 Ų8233.3 Ų33.336%0.35718%0.179SC..  trans-87.2148.7-179.6-57.4-57.9-175.1177.20111.9L13 K14 A54 K55 D157 V158L13-K16 WeakPolarHBondContact O-CB 3.33Å; L13-K16 PolarHBondContact O-N 3.48Å; K14-K16 PolarHBondContact O-N 3.45Å; K16-A54 CarbonylContact O-C 3.59Å; K16-A54 WeakPolarHBondContact O-CA 3.24Å; K16-K55 PolarHBondContact O-N 3.47Å; K16-D157 HydrophobicContact CB-CB 4.34Å; K16-D157 HydrophobicContact CD-CB 4.1Å; K16-V158 HydrophobicContact CB-CG2 4.35Å; K16-V158 HydrophobicContact CG-CG2 4.38Å
17R98.6Very high97.5Very high37 Ų3735 Ų3514%0.1419%0.191CC..EExtended strand (participates in β ladder)trans-84.8120.4165.5-55.2176.4-64.1145.19.5107.8K55 C106 K154 G156 D157 V158R17-K55 HydrophobicContact CG-CD 4.48Å; R17-C106 WeakPolarHBondContact CD-O 3.33Å; R17-C106 PolarHBondContact NH1-O 3.2Å; R17-K154 PolarHBondContact NH1-O 3Å; R17-K154 PolarHBondContact NH2-O 3.21Å; R17-G156 PolarHBondContact NH2-O 3.46Å; R17-G156 CarbonylContact O-C 3.55Å; R17-G156 WeakPolarHBondContact O-CA 3.43Å; R17-D157 IonicContact CZ-OD1 3.12Å; R17-D157 PolarHBondContact N-OD2 2.91Å; R17-D157 IonicContact NE-OD1 2.69Å; R17-D157 PolarHBondContact NE-OD1 3.05Å; R17-D157 VanDerWaalsContact NE-OD1 3.12Å; R17-D157 IonicContact NE-OD2 3.83Å; R17-D157 IonicContact NH2-OD1 3.53Å; R17-D157 PolarHBondContact NH2-OD1 3.35Å; R17-D157 PolarHBondContact O-N 3.48Å; R17-V158 PolarHBondContact O-N 2.88Å
18V98.8Very high97.3Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-106.7113.5-174.9-171.10000109L13 I20 A49 A54 S56 V57 V58 V160L13-V18 HydrophobicContact CD2-CG2 3.95Å; V18-I20 HydrophobicContact CG1-CD1 4.14Å; V18-I20 HydrophobicContact CG1-CG1 3.78Å; V18-A49 HydrophobicContact CG2-CB 4.49Å; V18-A54 HydrophobicContact CG2-CB 3.71Å; V18-S56 PolarHBondContact N-O 3.23Å; V18-V57 CarbonylContact O-C 3.55Å; V18-V57 WeakPolarHBondContact O-CA 3.34Å; V18-V58 PolarHBondContact O-N 3.35Å; V18-V160 HydrophobicContact CG1-CB 4.49Å; V18-V160 HydrophobicContact CG1-CG2 3.66Å
19L98.9Very high97.1Very high0 Ų044.1 Ų44.10%023%0.232CC..EExtended strand (participates in β ladder)trans-87.6117.3173.1176.564.7000108.8V58 M60 L152 L155 V158 Y159 V160L19-V58 CarbonylContact C-O 3.51Å; L19-V58 WeakPolarHBondContact CA-O 3.37Å; L19-V58 HydrophobicContact CD1-CB 4.04Å; L19-V58 HydrophobicContact CD1-CG1 3.91Å; L19-M60 HydrophobicContact CD1-CE 4.29Å; L19-M60 HydrophobicContact CD1-CG 4.15Å; L19-M60 HydrophobicContact CD1-SD 3.96Å; L19-M60 HydrophobicContact CD2-CE 3.97Å; L19-M60 HydrophobicContact CD2-SD 4.32Å; L19-M60 HydrophobicContact CG-CE 4.02Å; L19-M60 HydrophobicContact CG-SD 4.32Å; L19-L152 WeakPolarHBondContact CD2-O 3.47Å; L19-L155 HydrophobicContact CD1-CB 4.3Å; L19-V158 PolarHBondContact N-O 3.32Å; L19-Y159 HydrophobicContact CD2-CD2 4.26Å; L19-Y159 HydrophobicContact CG-CD2 4.43Å; L19-Y159 CarbonylContact O-C 3.5Å; L19-Y159 WeakPolarHBondContact O-CA 3.41Å; L19-V160 PolarHBondContact O-N 3.44Å
20I98.9Very high96.9Very high0 Ų048.7 Ų48.70%025%0.253CS..EExtended strand (participates in β ladder)trans-115.8117.8-176.6-46-175.4000110.2V18 V22 T45 I46 A49 V57 V58 L59 M60 V160 D162V18-I20 HydrophobicContact CG1-CD1 4.14Å; V18-I20 HydrophobicContact CG1-CG1 3.78Å; I20-V22 HydrophobicContact CB-CG1 4.35Å; I20-V22 HydrophobicContact CG2-CG1 3.62Å; I20-V22 PolarHBondContact O-N 2.95Å; I20-T45 HydrophobicContact CD1-CG2 4.36Å; I20-T45 HydrophobicContact CG2-CG2 4.44Å; I20-I46 HydrophobicContact CD1-CG1 4.35Å; I20-A49 HydrophobicContact CD1-CB 4.46Å; I20-V57 HydrophobicContact CD1-CG1 3.56Å; I20-V57 HydrophobicContact CG1-CG1 3.99Å; I20-V58 PolarHBondContact N-O 2.96Å; I20-L59 HydrophobicContact CB-CD2 4Å; I20-L59 HydrophobicContact CD1-CD2 4.33Å; I20-L59 HydrophobicContact CG1-CD2 4.46Å; I20-M60 PolarHBondContact O-N 2.75Å; I20-V160 CarbonylContact C-O 3.54Å; I20-V160 VanDerWaalsContact CA-O 3.29Å; I20-V160 WeakPolarHBondContact CA-O 3.48Å; I20-V160 HydrophobicContact CB-CB 4.48Å; I20-V160 HydrophobicContact CG1-CB 4.16Å; I20-V160 HydrophobicContact CG2-CB 4.19Å; I20-V160 HydrophobicContact CG2-CG1 4.18Å; I20-D162 HydrophobicContact CG2-CB 4.27Å
21R98.8Very high96.6Very high0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-80.9111.7167.5-175.754.817387.48.2109.1M60 H62 Y159 V160 D162 A163 S173 M174R21-M60 HydrophobicContact CB-CE 3.77Å; R21-M60 HydrophobicContact CB-CG 4.33Å; R21-M60 WeakPolarHBondContact CD-O 3.2Å; R21-M60 HydrophobicContact CG-CE 4.32Å; R21-H62 PolarHBondContact NH1-ND1 3.44Å; R21-H62 PolarHBondContact NH2-ND1 2.72Å; R21-Y159 HydrophobicContact CB-CE2 4.19Å; R21-V160 PolarHBondContact N-O 2.98Å; R21-D162 CarbonylContact O-C 3.57Å; R21-D162 WeakPolarHBondContact O-CA 3.33Å; R21-D162 PolarHBondContact O-N 2.96Å; R21-A163 HydrophobicContact CG-CB 3.93Å; R21-A163 PolarHBondContact O-N 2.82Å; R21-S173 PolarHBondContact NE-OG 3.1Å; R21-M174 HydrophobicContact CG-SD 3.66Å
22V98.5Very high96.5Very high0 Ų053 Ų530%028%0.279CS..  trans-116157.9-179.3-62.70000110.8I20 F24 A42 L59 M60 S61I20-V22 HydrophobicContact CB-CG1 4.35Å; I20-V22 HydrophobicContact CG2-CG1 3.62Å; I20-V22 PolarHBondContact O-N 2.95Å; V22-F24 HydrophobicContact CB-CD1 4.11Å; V22-F24 HydrophobicContact CB-CE1 3.83Å; V22-F24 HydrophobicContact CB-CE2 4.48Å; V22-F24 HydrophobicContact CB-CZ 4.04Å; V22-F24 HydrophobicContact CG1-CE1 4.47Å; V22-F24 HydrophobicContact CG1-CZ 4.38Å; V22-F24 HydrophobicContact CG2-CD1 3.8Å; V22-F24 HydrophobicContact CG2-CD2 3.63Å; V22-F24 HydrophobicContact CG2-CE1 3.7Å; V22-F24 HydrophobicContact CG2-CE2 3.53Å; V22-F24 HydrophobicContact CG2-CG 3.77Å; V22-F24 HydrophobicContact CG2-CZ 3.57Å; V22-A42 HydrophobicContact CB-CB 4.18Å; V22-A42 HydrophobicContact CG1-CB 3.87Å; V22-L59 HydrophobicContact CG1-CD2 4.28Å; V22-L59 HydrophobicContact CG2-CB 4.46Å; V22-M60 PolarHBondContact N-O 3.4Å; V22-S61 WeakPolarHBondContact O-CB 3.32Å; V22-S61 PolarHBondContact O-OG 3.17Å; V22-S61 VanDerWaalsContact O-OG 3.11Å
23D96.4Very high96.4Very high14 Ų1449 Ų498%0.07526%0.259CS..  trans-101.575177.9-169.5-0.5000112.1N25 R38 H62 A163D23-N25 PolarHBondContact O-N 3.4Å; D23-N25 WeakPolarHBondContact OD1-CB 3.46Å; D23-N25 PolarHBondContact OD1-N 3.18Å; D23-R38 WeakPolarHBondContact O-CB 3.45Å; D23-R38 IonicContact OD1-NH1 3.93Å; D23-R38 IonicContact OD2-CZ 2.79Å; D23-R38 IonicContact OD2-NH1 2.6Å; D23-R38 PolarHBondContact OD2-NH1 2.89Å; D23-H62 IonicContact OD1-CE1 2.71Å; D23-H62 PolarHBondContact OD1-CE1 3.08Å; D23-A163 HydrophobicContact CB-CB 4.03Å
24F97.5Very high96.1Very high0 Ų053 Ų530%028%0.284CS..  trans-88.731174.6-61.5-14.1000113.2V22 V26 I39 A42 I46 L59 S61 L76 V79 V83 L116V22-F24 HydrophobicContact CB-CD1 4.11Å; V22-F24 HydrophobicContact CB-CE1 3.83Å; V22-F24 HydrophobicContact CB-CE2 4.48Å; V22-F24 HydrophobicContact CB-CZ 4.04Å; V22-F24 HydrophobicContact CG1-CE1 4.47Å; V22-F24 HydrophobicContact CG1-CZ 4.38Å; V22-F24 HydrophobicContact CG2-CD1 3.8Å; V22-F24 HydrophobicContact CG2-CD2 3.63Å; V22-F24 HydrophobicContact CG2-CE1 3.7Å; V22-F24 HydrophobicContact CG2-CE2 3.53Å; V22-F24 HydrophobicContact CG2-CG 3.77Å; V22-F24 HydrophobicContact CG2-CZ 3.57Å; F24-V26 PolarHBondContact O-N 2.68Å; F24-I39 HydrophobicContact CD1-CB 4.46Å; F24-I39 HydrophobicContact CD1-CG1 4.1Å; F24-I39 HydrophobicContact CE1-CB 4.27Å; F24-I39 HydrophobicContact CE1-CG1 4.36Å; F24-I39 HydrophobicContact CE1-CG2 4.2Å; F24-I39 HydrophobicContact CG-CG1 4.4Å; F24-I39 HydrophobicContact CZ-CG2 4.22Å; F24-A42 HydrophobicContact CE1-CB 3.78Å; F24-A42 HydrophobicContact CZ-CB 4.31Å; F24-I46 HydrophobicContact CZ-CD1 4.3Å; F24-L59 HydrophobicContact CE2-CD1 4.15Å; F24-L59 HydrophobicContact CZ-CD1 4.49Å; F24-S61 WeakPolarHBondContact CA-OG 3.46Å; F24-S61 WeakPolarHBondContact CB-OG 3.44Å; F24-S61 PolarHBondContact N-OG 3.38Å; F24-L76 HydrophobicContact CB-CD2 4.33Å; F24-V79 HydrophobicContact CB-CG1 4.2Å; F24-V79 HydrophobicContact CD2-CG1 4.12Å; F24-V79 HydrophobicContact CG-CG1 4.37Å; F24-V83 HydrophobicContact CD2-CG2 4.03Å; F24-V83 HydrophobicContact CE2-CG1 4.28Å; F24-V83 HydrophobicContact CE2-CG2 3.5Å; F24-V83 HydrophobicContact CZ-CG1 4.44Å; F24-V83 HydrophobicContact CZ-CG2 4.06Å; F24-L116 HydrophobicContact CD2-CD1 4.13Å; F24-L116 HydrophobicContact CE2-CD1 4.3Å
25N95.9Very high95.8Very high53 Ų5348.9 Ų48.928%0.28327%0.269SS..  trans-75.669.6169.4-174.244.2000110.2D23 R38 H62 G64D23-N25 PolarHBondContact O-N 3.4Å; D23-N25 WeakPolarHBondContact OD1-CB 3.46Å; D23-N25 PolarHBondContact OD1-N 3.18Å; N25-R38 WeakPolarHBondContact O-CD 3.2Å; N25-R38 PolarHBondContact O-NE 2.82Å; N25-H62 WeakPolarHBondContact CB-NE2 3.44Å; N25-H62 PolarHBondContact N-O 3.32Å; N25-G64 PolarHBondContact OD1-N 3.45Å
26V94.5Very high95.6Very high6 Ų649 Ų494%0.03626%0.261CS..  trans-86.6150.6-174.2-60.60000111.9F24 M28 V33 R38 I39 L63 V79F24-V26 PolarHBondContact O-N 2.68Å; V26-M28 HydrophobicContact CG2-CG 4.49Å; V26-M28 HydrophobicContact CG2-SD 3.89Å; V26-M28 PolarHBondContact O-N 3.3Å; V26-V33 HydrophobicContact CB-CG1 4.1Å; V26-V33 HydrophobicContact CG2-CB 4.44Å; V26-V33 HydrophobicContact CG2-CG1 3.87Å; V26-V33 HydrophobicContact CG2-CG2 3.92Å; V26-R38 HydrophobicContact CG1-CB 3.85Å; V26-I39 HydrophobicContact CG1-CD1 4.23Å; V26-I39 HydrophobicContact CG1-CG1 3.88Å; V26-L63 HydrophobicContact CG2-CD1 4.34Å; V26-L63 WeakPolarHBondContact O-CD1 3.31Å; V26-V79 HydrophobicContact CG2-CG2 3.89Å
27P92.3Very high95.2Very high61 Ų6149.8 Ų49.840%0.39627%0.266SS..  trans-66.5134.7172.729.1-34.1000110.2T34 N35P27-T34 WeakPolarHBondContact CB-OG1 2.98Å; P27-T34 WeakPolarHBondContact CG-OG1 3.25Å; P27-T34 PolarHBondContact O-N 2.82Å; P27-T34 PolarHBondContact O-OG1 2.96Å; P27-N35 HydrophobicContact CG-CB 3.64Å
28M93.6Very high94.9Very high57 Ų5752.2 Ų52.228%0.28128%0.275SS..EExtended strand (participates in β ladder)trans-121.6138.1-177-63.9-65-73.500109.9V26 G31 K32 V33 L63 P78V26-M28 HydrophobicContact CG2-CG 4.49Å; V26-M28 HydrophobicContact CG2-SD 3.89Å; V26-M28 PolarHBondContact O-N 3.3Å; M28-G31 WeakPolarHBondContact CE-O 3.48Å; M28-K32 WeakPolarHBondContact CA-O 3.39Å; M28-V33 HydrophobicContact CE-CG2 4.43Å; M28-V33 HydrophobicContact SD-CB 4.24Å; M28-V33 HydrophobicContact SD-CG2 3.68Å; M28-L63 HydrophobicContact CG-CD1 4.3Å; M28-L63 HydrophobicContact CG-CD2 4.18Å; M28-P78 HydrophobicContact CE-CB 3.82Å; M28-P78 HydrophobicContact CE-CG 4.16Å
29K93.5Very high94.8Very high140 Ų14052.2 Ų52.261%0.60928%0.275SS*.EExtended strand (participates in β ladder)trans-137.3129.8169.2-173.7179.7176.4179.70108.8G31 K32 T34K29-G31 PolarHBondContact O-N 2.77Å; K29-G31 VanDerWaalsContact O-N 3.15Å; K29-K32 PolarHBondContact N-O 2.82Å; K29-K32 PolarHBondContact O-N 2.69Å; K29-T34 HydrophobicContact CB-CG2 3.45Å; K29-T34 VanDerWaalsContact CB-CG2 3.45Å
30D92.6Very high94.7Very high144 Ų14454.3 Ų54.377%0.7729%0.292SS*.THydrogen-bonded Turntrans50.840.8178.9-51.4-39.7000113.1K32D30-K32 VanDerWaalsContact C-N 3.26Å; D30-K32 PolarHBondContact O-N 2.95Å
31G91.3Very high94.5Very high49 Ų4956 Ų5651%0.50531%0.306SS..THydrogen-bonded Turntrans73.38-179.500000115.4M28 K29 P78M28-G31 WeakPolarHBondContact CE-O 3.48Å; K29-G31 PolarHBondContact O-N 2.77Å; K29-G31 VanDerWaalsContact O-N 3.15Å; G31-P78 WeakPolarHBondContact O-CB 3.28Å
32K94.9Very high94.4Very high156 Ų15656.1 Ų56.168%0.67831%0.307SS*.EExtended strand (participates in β ladder)trans-115.8145.8179.7-62.2-179.7-177.3177.70111.6M28 K29 D30 T34M28-K32 WeakPolarHBondContact CA-O 3.39Å; K29-K32 PolarHBondContact N-O 2.82Å; K29-K32 PolarHBondContact O-N 2.69Å; D30-K32 VanDerWaalsContact C-N 3.26Å; D30-K32 PolarHBondContact O-N 2.95Å; K32-T34 PolarHBondContact O-N 2.8Å
33V96.1Very high94.4Very high23 Ų2356.7 Ų56.714%0.13931%0.31CS..EExtended strand (participates in β ladder)trans-68.2124.2172.3-178.20000108.9V26 M28 N35 T36 I39 V79 E82V26-V33 HydrophobicContact CB-CG1 4.1Å; V26-V33 HydrophobicContact CG2-CB 4.44Å; V26-V33 HydrophobicContact CG2-CG1 3.87Å; V26-V33 HydrophobicContact CG2-CG2 3.92Å; M28-V33 HydrophobicContact CE-CG2 4.43Å; M28-V33 HydrophobicContact SD-CB 4.24Å; M28-V33 HydrophobicContact SD-CG2 3.68Å; V33-N35 WeakPolarHBondContact CG1-O 3.36Å; V33-T36 HydrophobicContact CG1-CG2 3.85Å; V33-I39 HydrophobicContact CG1-CD1 4.39Å; V33-V79 HydrophobicContact CG2-CG2 4.11Å; V33-E82 HydrophobicContact CB-CG 4.13Å; V33-E82 HydrophobicContact CG2-CG 4.02Å
34T93.2Very high94.5Very high87 Ų8759.2 Ų59.253%0.53433%0.328SS..SBendtrans-95.9-20.1178.8570000113.5P27 K29 K32P27-T34 WeakPolarHBondContact CB-OG1 2.98Å; P27-T34 WeakPolarHBondContact CG-OG1 3.25Å; P27-T34 PolarHBondContact O-N 2.82Å; P27-T34 PolarHBondContact O-OG1 2.96Å; K29-T34 HydrophobicContact CB-CG2 3.45Å; K29-T34 VanDerWaalsContact CB-CG2 3.45Å; K32-T34 PolarHBondContact O-N 2.8Å
35N90.7Very high94.6Very high73 Ų7359.2 Ų59.239%0.3933%0.328SS..  trans-144.4122.9174.6-177.3-15.7000109.6P27 V33 Q37P27-N35 HydrophobicContact CG-CB 3.64Å; V33-N35 WeakPolarHBondContact CG1-O 3.36Å; N35-Q37 WeakPolarHBondContact OD1-CB 3.46Å; N35-Q37 PolarHBondContact OD1-N 3.17Å
36T93.7Very high94.7Very high46 Ų4656.7 Ų56.728%0.28231%0.314SS..  trans-96.63.5-176.558.70000113.9V33 R38 I39 A40 E82V33-T36 HydrophobicContact CG1-CG2 3.85Å; T36-R38 VanDerWaalsContact C-N 3.28Å; T36-R38 PolarHBondContact O-N 2.81Å; T36-I39 HydrophobicContact CG2-CD1 4.36Å; T36-I39 WeakPolarHBondContact O-CA 3.36Å; T36-I39 WeakPolarHBondContact O-CB 3.41Å; T36-I39 PolarHBondContact O-N 3.17Å; T36-A40 PolarHBondContact O-N 3.13Å; T36-E82 HydrophobicContact CG2-CB 4.34Å; T36-E82 HydrophobicContact CG2-CG 4.29Å
37Q90.8Very high94.9Very high99 Ų9960.5 Ų60.546%0.46333%0.33SS..Hα-helixtrans-52.9-42.9-176.6-175.5-178.611.200112.7N35 I39 A40 A41 E384N35-Q37 WeakPolarHBondContact OD1-CB 3.46Å; N35-Q37 PolarHBondContact OD1-N 3.17Å; Q37-I39 VanDerWaalsContact C-N 3.32Å; Q37-I39 PolarHBondContact O-N 3.13Å; Q37-A40 PolarHBondContact O-N 2.95Å; Q37-A41 WeakPolarHBondContact O-CB 3.42Å; Q37-A41 PolarHBondContact O-N 3.47Å; Q37-E384 PolarHBondContact NE2-OE1 3.34Å
38R92.5Very high95.2Very high88 Ų8859.9 Ų59.933%0.33232%0.32SS..Hα-helixtrans-63.1-36175.8-78.2-178.3179.6-80.6-9.5113.3D23 N25 V26 T36D23-R38 WeakPolarHBondContact O-CB 3.45Å; D23-R38 IonicContact OD1-NH1 3.93Å; D23-R38 IonicContact OD2-CZ 2.79Å; D23-R38 IonicContact OD2-NH1 2.6Å; D23-R38 PolarHBondContact OD2-NH1 2.89Å; N25-R38 WeakPolarHBondContact O-CD 3.2Å; N25-R38 PolarHBondContact O-NE 2.82Å; V26-R38 HydrophobicContact CG1-CB 3.85Å; T36-R38 VanDerWaalsContact C-N 3.28Å; T36-R38 PolarHBondContact O-N 2.81Å
39I97.3Very high95.5Very high0 Ų057.2 Ų57.20%031%0.307CS..Hα-helixtrans-68.6-52.2174.9-57.6168.3000108.9F24 V26 V33 T36 Q37 A41 A42 I43 V79 E82 V83 L86F24-I39 HydrophobicContact CD1-CB 4.46Å; F24-I39 HydrophobicContact CD1-CG1 4.1Å; F24-I39 HydrophobicContact CE1-CB 4.27Å; F24-I39 HydrophobicContact CE1-CG1 4.36Å; F24-I39 HydrophobicContact CE1-CG2 4.2Å; F24-I39 HydrophobicContact CG-CG1 4.4Å; F24-I39 HydrophobicContact CZ-CG2 4.22Å; V26-I39 HydrophobicContact CG1-CD1 4.23Å; V26-I39 HydrophobicContact CG1-CG1 3.88Å; V33-I39 HydrophobicContact CG1-CD1 4.39Å; T36-I39 HydrophobicContact CG2-CD1 4.36Å; T36-I39 WeakPolarHBondContact O-CA 3.36Å; T36-I39 WeakPolarHBondContact O-CB 3.41Å; T36-I39 PolarHBondContact O-N 3.17Å; Q37-I39 VanDerWaalsContact C-N 3.32Å; Q37-I39 PolarHBondContact O-N 3.13Å; I39-A41 PolarHBondContact O-N 2.91Å; I39-A42 PolarHBondContact O-N 3.17Å; I39-I43 HydrophobicContact CG2-CD1 4.21Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 2.61Å; I39-V79 HydrophobicContact CD1-CG1 3.75Å; I39-V79 HydrophobicContact CG1-CG1 4.21Å; I39-E82 HydrophobicContact CD1-CB 3.77Å; I39-V83 HydrophobicContact CG2-CB 4.31Å; I39-V83 HydrophobicContact CG2-CG2 3.79Å; I39-L86 HydrophobicContact CB-CD1 3.99Å; I39-L86 HydrophobicContact CG2-CD1 3.73Å
40A96Very high95.7Very high44 Ų4451.9 Ų51.936%0.36429%0.285SS..Hα-helixtrans-54.2-38.5-179.800000112.4T36 Q37 A42 I43 P44 L86T36-A40 PolarHBondContact O-N 3.13Å; Q37-A40 PolarHBondContact O-N 2.95Å; A40-A42 VanDerWaalsContact C-N 3.29Å; A40-A42 PolarHBondContact O-N 3.12Å; A40-I43 WeakPolarHBondContact O-CB 3.31Å; A40-I43 PolarHBondContact O-N 3.35Å; A40-P44 VanDerWaalsContact O-CD 3.29Å; A40-P44 WeakPolarHBondContact O-CD 3.34Å; A40-L86 HydrophobicContact CB-CD1 4.27Å
41A94.1Very high96Very high36 Ų3651.3 Ų51.330%0.29828%0.282SS..Hα-helixtrans-65.4-26.6-179.300000113.9Q37 I39 L187Q37-A41 WeakPolarHBondContact O-CB 3.42Å; Q37-A41 PolarHBondContact O-N 3.47Å; I39-A41 PolarHBondContact O-N 2.91Å; A41-L187 HydrophobicContact CB-CD1 3.6Å
42A97.6Very high96.3Very high2 Ų254.3 Ų54.32%0.01728%0.281CS..Hα-helixtrans-91-17.517600000113.6V22 F24 I39 A40 P44 T45 I46V22-A42 HydrophobicContact CB-CB 4.18Å; V22-A42 HydrophobicContact CG1-CB 3.87Å; F24-A42 HydrophobicContact CE1-CB 3.78Å; F24-A42 HydrophobicContact CZ-CB 4.31Å; I39-A42 PolarHBondContact O-N 3.17Å; A40-A42 VanDerWaalsContact C-N 3.29Å; A40-A42 PolarHBondContact O-N 3.12Å; A42-P44 VanDerWaalsContact C-CD 3.47Å; A42-T45 WeakPolarHBondContact O-CB 3.44Å; A42-T45 PolarHBondContact O-N 3.41Å; A42-T45 VanDerWaalsContact O-N 3.15Å; A42-I46 HydrophobicContact CB-CD1 4.42Å; A42-I46 WeakPolarHBondContact O-CG1 3.41Å; A42-I46 PolarHBondContact O-N 2.88Å
43I98.5Very high96.5Very high13 Ų1348.5 Ų48.57%0.06727%0.265CS..Hα-helixtrans-54.9-41.6-178.2-62.8-57.7000113.1I39 A40 T45 I46 K47 V83 L86 L87I39-I43 HydrophobicContact CG2-CD1 4.21Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 2.61Å; A40-I43 WeakPolarHBondContact O-CB 3.31Å; A40-I43 PolarHBondContact O-N 3.35Å; I43-T45 VanDerWaalsContact C-N 3.3Å; I43-T45 PolarHBondContact O-N 3.07Å; I43-I46 HydrophobicContact CD1-CD1 4.33Å; I43-I46 PolarHBondContact O-N 3.38Å; I43-K47 HydrophobicContact CG2-CD 3.76Å; I43-K47 VanDerWaalsContact CG2-CE 3.48Å; I43-K47 HydrophobicContact CG2-CG 3.96Å; I43-K47 PolarHBondContact O-N 3.18Å; I43-V83 HydrophobicContact CD1-CG1 4.5Å; I43-L86 HydrophobicContact CD1-CB 4.03Å; I43-L86 HydrophobicContact CG1-CB 3.98Å; I43-L87 HydrophobicContact CD1-CB 4.28Å; I43-L87 HydrophobicContact CG2-CD1 4.47Å
44P98.5Very high96.6Very high67 Ų6747.7 Ų47.744%0.43526%0.261SS..Hα-helixtrans-55.4-42.4177.1-28.937000113.7A40 A42 Y48 F186A40-P44 VanDerWaalsContact O-CD 3.29Å; A40-P44 WeakPolarHBondContact O-CD 3.34Å; A42-P44 VanDerWaalsContact C-CD 3.47Å; P44-Y48 VanDerWaalsContact O-CB 3.29Å; P44-Y48 WeakPolarHBondContact O-CB 3.24Å; P44-Y48 PolarHBondContact O-N 3.22Å; P44-F186 HydrophobicContact CB-CD2 4.01Å
45T98.8Very high96.8Very high0 Ų046.1 Ų46.10%025%0.247CC..Hα-helixtrans-65.4-43177.9-57.20000111.3I8 I20 A42 I43 Y48 A49 V160 D162 F186I8-T45 HydrophobicContact CD1-CG2 3.72Å; I20-T45 HydrophobicContact CD1-CG2 4.36Å; I20-T45 HydrophobicContact CG2-CG2 4.44Å; A42-T45 WeakPolarHBondContact O-CB 3.44Å; A42-T45 PolarHBondContact O-N 3.41Å; A42-T45 VanDerWaalsContact O-N 3.15Å; I43-T45 VanDerWaalsContact C-N 3.3Å; I43-T45 PolarHBondContact O-N 3.07Å; T45-Y48 PolarHBondContact O-N 3.2Å; T45-A49 PolarHBondContact O-N 3.11Å; T45-V160 HydrophobicContact CG2-CG1 3.98Å; T45-D162 WeakPolarHBondContact CB-OD2 3.48Å; T45-D162 HydrophobicContact CG2-CB 4.45Å; T45-D162 PolarHBondContact OG1-OD2 2.95Å; T45-F186 PolarHBondContact OG1-N 2.92Å
46I98.8Very high97.2Very high0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-65.6-47.2-179.9-60169000110.8I20 F24 A42 I43 A49 L50 V57 L59 L87I20-I46 HydrophobicContact CD1-CG1 4.35Å; F24-I46 HydrophobicContact CZ-CD1 4.3Å; A42-I46 HydrophobicContact CB-CD1 4.42Å; A42-I46 WeakPolarHBondContact O-CG1 3.41Å; A42-I46 PolarHBondContact O-N 2.88Å; I43-I46 HydrophobicContact CD1-CD1 4.33Å; I43-I46 PolarHBondContact O-N 3.38Å; I46-A49 PolarHBondContact O-N 3.34Å; I46-L50 HydrophobicContact CG2-CD1 4.33Å; I46-L50 WeakPolarHBondContact O-CG 3.31Å; I46-L50 PolarHBondContact O-N 2.84Å; I46-V57 HydrophobicContact CG2-CG1 4.28Å; I46-L59 HydrophobicContact CD1-CD1 3.79Å; I46-L59 HydrophobicContact CD1-CD2 3.68Å; I46-L59 HydrophobicContact CD1-CG 4.41Å; I46-L59 HydrophobicContact CG1-CD2 3.78Å; I46-L87 HydrophobicContact CB-CD1 4.35Å; I46-L87 HydrophobicContact CG2-CD1 3.73Å; I46-L87 HydrophobicContact CG2-CD2 3.93Å
47K98.7Very high97.5Very high85 Ų8540.4 Ų40.437%0.3722%0.215SC..Hα-helixtrans-60.4-46.2176.7-74.8-175.3175.9176.80111I43 A49 L50 D51 L87I43-K47 HydrophobicContact CG2-CD 3.76Å; I43-K47 VanDerWaalsContact CG2-CE 3.48Å; I43-K47 HydrophobicContact CG2-CG 3.96Å; I43-K47 PolarHBondContact O-N 3.18Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-A49 PolarHBondContact O-N 3.19Å; K47-L50 PolarHBondContact O-N 2.84Å; K47-L50 VanDerWaalsContact O-N 3.14Å; K47-D51 WeakPolarHBondContact O-CB 3.45Å; K47-D51 PolarHBondContact O-N 3.36Å; K47-L87 VanDerWaalsContact CE-O 3.3Å; K47-L87 WeakPolarHBondContact CE-O 3.42Å; K47-L87 HydrophobicContact CG-CD1 3.58Å
48Y98.8Very high97.9Very high49 Ų4935.7 Ų35.719%0.19219%0.193CC..Hα-helixtrans-59-42.8178.5-178.4-90.3000113I8 S9 L13 P44 T45 L50 D51 K52 F186I8-Y48 HydrophobicContact CD1-CD1 4.13Å; I8-Y48 HydrophobicContact CG1-CD1 4.03Å; I8-Y48 HydrophobicContact CG1-CE1 4.23Å; I8-Y48 HydrophobicContact CG2-CD1 4.21Å; I8-Y48 HydrophobicContact CG2-CE1 4.43Å; I8-Y48 WeakPolarHBondContact O-CE1 3.3Å; S9-Y48 WeakPolarHBondContact CA-OH 3.45Å; S9-Y48 PolarHBondContact O-OH 3.32Å; L13-Y48 HydrophobicContact CD1-CD1 4.22Å; L13-Y48 HydrophobicContact CD1-CE1 4.19Å; P44-Y48 VanDerWaalsContact O-CB 3.29Å; P44-Y48 WeakPolarHBondContact O-CB 3.24Å; P44-Y48 PolarHBondContact O-N 3.22Å; T45-Y48 PolarHBondContact O-N 3.2Å; Y48-L50 VanDerWaalsContact C-N 3.33Å; Y48-L50 PolarHBondContact O-N 3.47Å; Y48-D51 PolarHBondContact O-N 3.5Å; Y48-K52 HydrophobicContact CD1-CG 4.08Å; Y48-K52 HydrophobicContact CD2-CG 4.32Å; Y48-K52 HydrophobicContact CE1-CG 3.67Å; Y48-K52 HydrophobicContact CE2-CD 4.32Å; Y48-K52 HydrophobicContact CE2-CG 3.96Å; Y48-K52 HydrophobicContact CG-CG 4.38Å; Y48-K52 VanDerWaalsContact CZ-CE 3.47Å; Y48-K52 WeakPolarHBondContact O-CB 3.11Å; Y48-K52 VanDerWaalsContact O-CG 3.29Å; Y48-K52 WeakPolarHBondContact O-CG 3.33Å; Y48-K52 PolarHBondContact O-N 3.14Å; Y48-K52 VanDerWaalsContact OH-CE 3.29Å; Y48-K52 WeakPolarHBondContact OH-CE 3.39Å; Y48-F186 VanDerWaalsContact CB-CE2 3.49Å; Y48-F186 HydrophobicContact CD1-CE2 4.32Å; Y48-F186 AromaticContact CD1-CZ 3.99Å; Y48-F186 HydrophobicContact CD1-CZ 3.99Å; Y48-F186 AromaticContact CD2-CE2 3.94Å; Y48-F186 HydrophobicContact CD2-CE2 3.94Å; Y48-F186 AromaticContact CD2-CZ 3.58Å; Y48-F186 HydrophobicContact CD2-CZ 3.58Å; Y48-F186 HydrophobicContact CE1-CZ 4.43Å; Y48-F186 HydrophobicContact CE2-CZ 4.04Å; Y48-F186 AromaticContact CG-CE2 3.66Å; Y48-F186 HydrophobicContact CG-CE2 3.66Å; Y48-F186 AromaticContact CG-CZ 3.56Å; Y48-F186 HydrophobicContact CG-CZ 3.56Å
49A98.8Very high98.2Very high0 Ų031.5 Ų31.50%018%0.177CC..Hα-helixtrans-58.2-47.1176.100000111.9I8 L13 V18 I20 T45 I46 K47 K52 A54 V57I8-A49 HydrophobicContact CD1-CB 4.22Å; L13-A49 HydrophobicContact CD1-CB 4.08Å; V18-A49 HydrophobicContact CG2-CB 4.49Å; I20-A49 HydrophobicContact CD1-CB 4.46Å; T45-A49 PolarHBondContact O-N 3.11Å; I46-A49 PolarHBondContact O-N 3.34Å; K47-A49 VanDerWaalsContact C-N 3.33Å; K47-A49 PolarHBondContact O-N 3.19Å; A49-K52 PolarHBondContact O-N 3.29Å; A49-A54 HydrophobicContact CB-CB 4.3Å; A49-A54 WeakPolarHBondContact O-CB 3.46Å; A49-A54 PolarHBondContact O-N 2.96Å; A49-V57 HydrophobicContact CB-CG2 3.87Å
50L98.5Very high98.2Very high29 Ų2931.5 Ų31.515%0.15218%0.177CC..Hα-helixtrans-64.3-46178.1-65.1169.1000111.9I46 K47 Y48 K52 G53 V57 L87 K89 V114I46-L50 HydrophobicContact CG2-CD1 4.33Å; I46-L50 WeakPolarHBondContact O-CG 3.31Å; I46-L50 PolarHBondContact O-N 2.84Å; K47-L50 PolarHBondContact O-N 2.84Å; K47-L50 VanDerWaalsContact O-N 3.14Å; Y48-L50 VanDerWaalsContact C-N 3.33Å; Y48-L50 PolarHBondContact O-N 3.47Å; L50-K52 VanDerWaalsContact C-N 3.26Å; L50-K52 PolarHBondContact O-N 3.28Å; L50-G53 WeakPolarHBondContact O-CA 3.2Å; L50-G53 PolarHBondContact O-N 3.47Å; L50-V57 HydrophobicContact CD2-CG2 3.83Å; L50-V57 HydrophobicContact CG-CG2 4.01Å; L50-L87 HydrophobicContact CD1-CD1 4.3Å; L50-L87 HydrophobicContact CD1-CD2 4.33Å; L50-K89 HydrophobicContact CD1-CD 4.34Å; L50-V114 HydrophobicContact CD1-CG2 3.92Å; L50-V114 HydrophobicContact CD2-CG2 4.07Å
51D98.2Very high98.4Very high132 Ų13229.4 Ų29.471%0.70616%0.16SC*.Hα-helixtrans-65.5-29-178.5-66.9-19.7000112.3K47 Y48 G53K47-D51 WeakPolarHBondContact O-CB 3.45Å; K47-D51 PolarHBondContact O-N 3.36Å; Y48-D51 PolarHBondContact O-N 3.5Å; D51-G53 PolarHBondContact O-N 3.21Å
52K98.4Very high98.6Very high111 Ų11127.9 Ų27.948%0.48315%0.146SC..THydrogen-bonded Turntrans-83.59.9172.3-64.7-61.1179.7176.60113.8L13 Y48 A49 L50L13-K52 HydrophobicContact CB-CB 4.2Å; L13-K52 HydrophobicContact CD1-CB 4.22Å; Y48-K52 HydrophobicContact CD1-CG 4.08Å; Y48-K52 HydrophobicContact CD2-CG 4.32Å; Y48-K52 HydrophobicContact CE1-CG 3.67Å; Y48-K52 HydrophobicContact CE2-CD 4.32Å; Y48-K52 HydrophobicContact CE2-CG 3.96Å; Y48-K52 HydrophobicContact CG-CG 4.38Å; Y48-K52 VanDerWaalsContact CZ-CE 3.47Å; Y48-K52 WeakPolarHBondContact O-CB 3.11Å; Y48-K52 VanDerWaalsContact O-CG 3.29Å; Y48-K52 WeakPolarHBondContact O-CG 3.33Å; Y48-K52 PolarHBondContact O-N 3.14Å; Y48-K52 VanDerWaalsContact OH-CE 3.29Å; Y48-K52 WeakPolarHBondContact OH-CE 3.39Å; A49-K52 PolarHBondContact O-N 3.29Å; L50-K52 VanDerWaalsContact C-N 3.26Å; L50-K52 PolarHBondContact O-N 3.28Å
53G98Very high98.6Very high34 Ų3428 Ų2835%0.35115%0.147SC..THydrogen-bonded Turntrans82.324.5171.400000114K14 G15 L50 D51 K55K14-G53 WeakPolarHBondContact CA-O 3.38Å; G15-G53 PolarHBondContact N-O 3.31Å; L50-G53 WeakPolarHBondContact O-CA 3.2Å; L50-G53 PolarHBondContact O-N 3.47Å; D51-G53 PolarHBondContact O-N 3.21Å; G53-K55 PolarHBondContact O-N 2.96Å
54A98.6Very high98.5Very high6 Ų628.1 Ų28.15%0.0515%0.151CC..  trans-51.3132.6166.600000110.3L13 K16 V18 A49 S56L13-A54 VanDerWaalsContact O-CA 3.25Å; L13-A54 WeakPolarHBondContact O-CA 3.34Å; L13-A54 PolarHBondContact O-N 2.93Å; K16-A54 CarbonylContact O-C 3.59Å; K16-A54 WeakPolarHBondContact O-CA 3.24Å; V18-A54 HydrophobicContact CG2-CB 3.71Å; A49-A54 HydrophobicContact CB-CB 4.3Å; A49-A54 WeakPolarHBondContact O-CB 3.46Å; A49-A54 PolarHBondContact O-N 2.96Å; A54-S56 VanDerWaalsContact C-N 3.31Å
55K98.6Very high98.3Very high54 Ų5433.8 Ų33.824%0.23516%0.164CC..SBendtrans-63.4-42174.8177.5178.4-177.4176.80110.7G15 K16 R17 G53 N108 P109 P111 G112G15-K55 WeakPolarHBondContact O-CB 3.3Å; K16-K55 PolarHBondContact O-N 3.47Å; R17-K55 HydrophobicContact CG-CD 4.48Å; G53-K55 PolarHBondContact O-N 2.96Å; K55-N108 WeakPolarHBondContact CE-OD1 3.46Å; K55-N108 PolarHBondContact NZ-OD1 3.32Å; K55-P109 WeakPolarHBondContact CE-O 3.41Å; K55-P111 CarbonylContact O-C 3.47Å; K55-P111 WeakPolarHBondContact O-CA 3.44Å; K55-G112 PolarHBondContact O-N 3.28Å
56S98.8Very high98.2Very high0 Ų034.1 Ų34.10%017%0.166CC..EExtended strand (participates in β ladder)trans-154159.2174.458.80000111.1V18 A54 P109 S113V18-S56 PolarHBondContact N-O 3.23Å; A54-S56 VanDerWaalsContact C-N 3.31Å; S56-P109 WeakPolarHBondContact OG-CG 3.47Å; S56-S113 CarbonylContact C-O 3.55Å; S56-S113 WeakPolarHBondContact CA-O 3.41Å; S56-S113 WeakPolarHBondContact CB-O 3.29Å
57V98.9Very high98.1Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-117.9126.9170.9175.50000108.6V18 I20 I46 A49 L50 L59 S113 V114 F115V18-V57 CarbonylContact O-C 3.55Å; V18-V57 WeakPolarHBondContact O-CA 3.34Å; I20-V57 HydrophobicContact CD1-CG1 3.56Å; I20-V57 HydrophobicContact CG1-CG1 3.99Å; I46-V57 HydrophobicContact CG2-CG1 4.28Å; A49-V57 HydrophobicContact CB-CG2 3.87Å; L50-V57 HydrophobicContact CD2-CG2 3.83Å; L50-V57 HydrophobicContact CG-CG2 4.01Å; V57-L59 HydrophobicContact CG1-CD2 3.5Å; V57-L59 VanDerWaalsContact CG1-CD2 3.5Å; V57-L59 HydrophobicContact CG1-CG 4.12Å; V57-S113 PolarHBondContact N-O 3.33Å; V57-V114 HydrophobicContact CB-CG1 4.35Å; V57-V114 HydrophobicContact CG1-CG1 4.5Å; V57-V114 CarbonylContact O-C 3.55Å; V57-V114 VanDerWaalsContact O-CA 3.32Å; V57-V114 WeakPolarHBondContact O-CA 3.49Å; V57-F115 PolarHBondContact O-N 2.99Å
58V98.9Very high98.1Very high0 Ų033.7 Ų33.70%017%0.17CC..EExtended strand (participates in β ladder)trans-112.2113.6174.9-176.30000107.9V18 L19 I20 C106 F115 L117 L155V18-V58 PolarHBondContact O-N 3.35Å; L19-V58 CarbonylContact C-O 3.51Å; L19-V58 WeakPolarHBondContact CA-O 3.37Å; L19-V58 HydrophobicContact CD1-CB 4.04Å; L19-V58 HydrophobicContact CD1-CG1 3.91Å; I20-V58 PolarHBondContact N-O 2.96Å; V58-C106 HydrophobicContact CG2-CB 4.16Å; V58-F115 HydrophobicContact CG1-CB 4.46Å; V58-F115 HydrophobicContact CG2-CD2 4.15Å; V58-L117 HydrophobicContact CG1-CD1 3.99Å; V58-L117 HydrophobicContact CG1-CD2 3.81Å; V58-L117 HydrophobicContact CG1-CG 3.85Å; V58-L155 HydrophobicContact CG1-CB 4.38Å; V58-L155 HydrophobicContact CG1-CD1 4.4Å
59L98.9Very high97.9Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-95.2129.9-178.8-53.2176.4000109.7I20 V22 F24 I46 V57 V83 V114 F115 L116 L117I20-L59 HydrophobicContact CB-CD2 4Å; I20-L59 HydrophobicContact CD1-CD2 4.33Å; I20-L59 HydrophobicContact CG1-CD2 4.46Å; V22-L59 HydrophobicContact CG1-CD2 4.28Å; V22-L59 HydrophobicContact CG2-CB 4.46Å; F24-L59 HydrophobicContact CE2-CD1 4.15Å; F24-L59 HydrophobicContact CZ-CD1 4.49Å; I46-L59 HydrophobicContact CD1-CD1 3.79Å; I46-L59 HydrophobicContact CD1-CD2 3.68Å; I46-L59 HydrophobicContact CD1-CG 4.41Å; I46-L59 HydrophobicContact CG1-CD2 3.78Å; V57-L59 HydrophobicContact CG1-CD2 3.5Å; V57-L59 VanDerWaalsContact CG1-CD2 3.5Å; V57-L59 HydrophobicContact CG1-CG 4.12Å; L59-V83 HydrophobicContact CD1-CG1 3.96Å; L59-V114 HydrophobicContact CD1-CG1 4.12Å; L59-V114 HydrophobicContact CG-CG1 4.4Å; L59-F115 WeakPolarHBondContact CB-O 3.42Å; L59-F115 WeakPolarHBondContact CG-O 3.39Å; L59-F115 PolarHBondContact N-O 3.35Å; L59-L116 HydrophobicContact CB-CD1 3.9Å; L59-L117 WeakPolarHBondContact O-CG 3.42Å; L59-L117 PolarHBondContact O-N 2.83Å
60M98.8Very high97.8Very high0 Ų040.3 Ų40.30%020%0.2CC..EExtended strand (participates in β ladder)trans-125.7140172.365.3175.7177.500111.1L19 I20 R21 V22 L117 L120 L152 Y159 S173L19-M60 HydrophobicContact CD1-CE 4.29Å; L19-M60 HydrophobicContact CD1-CG 4.15Å; L19-M60 HydrophobicContact CD1-SD 3.96Å; L19-M60 HydrophobicContact CD2-CE 3.97Å; L19-M60 HydrophobicContact CD2-SD 4.32Å; L19-M60 HydrophobicContact CG-CE 4.02Å; L19-M60 HydrophobicContact CG-SD 4.32Å; I20-M60 PolarHBondContact O-N 2.75Å; R21-M60 HydrophobicContact CB-CE 3.77Å; R21-M60 HydrophobicContact CB-CG 4.33Å; R21-M60 WeakPolarHBondContact CD-O 3.2Å; R21-M60 HydrophobicContact CG-CE 4.32Å; V22-M60 PolarHBondContact N-O 3.4Å; M60-L117 HydrophobicContact CB-CB 4.49Å; M60-L117 HydrophobicContact CB-CD1 3.88Å; M60-L117 HydrophobicContact CB-CG 4.4Å; M60-L120 HydrophobicContact CB-CD1 4.11Å; M60-L120 HydrophobicContact CB-CD2 4.27Å; M60-L120 HydrophobicContact CB-CG 4.35Å; M60-L120 HydrophobicContact CG-CD1 4.21Å; M60-L120 HydrophobicContact SD-CD1 4.35Å; M60-L120 HydrophobicContact SD-CD2 4.2Å; M60-L152 HydrophobicContact SD-CD1 4.17Å; M60-L152 HydrophobicContact SD-CD2 4.17Å; M60-Y159 HydrophobicContact CE-CD2 4.22Å; M60-Y159 HydrophobicContact CE-CE2 3.53Å; M60-S173 WeakPolarHBondContact CE-O 3.27Å
61S98.6Very high97.6Very high0 Ų041.2 Ų41.20%021%0.207CC..  trans-152.3174.2-178.7-172.60000111.1V22 F24 L120V22-S61 WeakPolarHBondContact O-CB 3.32Å; V22-S61 PolarHBondContact O-OG 3.17Å; V22-S61 VanDerWaalsContact O-OG 3.11Å; F24-S61 WeakPolarHBondContact CA-OG 3.46Å; F24-S61 WeakPolarHBondContact CB-OG 3.44Å; F24-S61 PolarHBondContact N-OG 3.38Å; S61-L120 WeakPolarHBondContact O-CD1 3.35Å; S61-L120 VanDerWaalsContact O-CG 3.27Å; S61-L120 WeakPolarHBondContact O-CG 3.48Å; S61-L120 PolarHBondContact O-N 2.78Å
62H98.1Very high97.5Very high4 Ų442.2 Ų42.22%0.01921%0.212CC..  trans-114.5161.3166.366.9-65000110.2R21 D23 N25 N119 R121 T166R21-H62 PolarHBondContact NH1-ND1 3.44Å; R21-H62 PolarHBondContact NH2-ND1 2.72Å; D23-H62 IonicContact OD1-CE1 2.71Å; D23-H62 PolarHBondContact OD1-CE1 3.08Å; N25-H62 WeakPolarHBondContact CB-NE2 3.44Å; N25-H62 PolarHBondContact N-O 3.32Å; H62-N119 VanDerWaalsContact CA-OD1 3.27Å; H62-N119 WeakPolarHBondContact CA-OD1 3.43Å; H62-R121 HydrophobicContact CB-CG 3.84Å; H62-R121 PolarHBondContact CD2-NH1 2.88Å; H62-R121 PolarHBondContact CD2-NH2 2.74Å; H62-T166 WeakPolarHBondContact CE1-CG2 3.39Å
63L97.9Very high97.4Very high4 Ų443.8 Ų43.82%0.02122%0.219CC..  trans-141.8127.6169.5-17665.4000109.6V26 M28 S75 L76 N119V26-L63 HydrophobicContact CG2-CD1 4.34Å; V26-L63 WeakPolarHBondContact O-CD1 3.31Å; M28-L63 HydrophobicContact CG-CD1 4.3Å; M28-L63 HydrophobicContact CG-CD2 4.18Å; L63-S75 WeakPolarHBondContact CD2-O 3.39Å; L63-L76 HydrophobicContact CB-CD2 3.87Å; L63-L76 HydrophobicContact CB-CG 4.31Å; L63-L76 HydrophobicContact CD2-CD2 4.39Å; L63-N119 PolarHBondContact N-ND2 3.33Å; L63-N119 PolarHBondContact N-OD1 3.05Å; L63-N119 PolarHBondContact O-ND2 3.26Å
64G96.4Very high97.3Very high16 Ų1644.8 Ų44.817%0.16521%0.213CC..SBendtrans58.9-152.3177.500000114.4N25 R121N25-G64 PolarHBondContact OD1-N 3.45Å; G64-R121 PolarHBondContact O-NH1 3.03Å
65R95.6Very high97.3Very high185 Ų18545.4 Ų45.470%0.69822%0.217SC*.  trans-132.283.1-177.5-63.4-178.7-172.4172.53109.3D67 Y74R65-D67 VanDerWaalsContact C-N 3.3Å; R65-Y74 WeakPolarHBondContact O-CE2 3.4Å
66P96.6Very high97.3Very high7 Ų742.8 Ų42.85%0.04521%0.205CC..  trans-84.90.1178.734.9-38.2000113.8G68 H69 V71 Y74 R121 F122P66-G68 VanDerWaalsContact C-N 3.27Å; P66-G68 PolarHBondContact O-N 3.46Å; P66-H69 WeakPolarHBondContact CB-O 3.38Å; P66-H69 PolarHBondContact O-N 2.87Å; P66-V71 HydrophobicContact CB-CB 4.35Å; P66-V71 HydrophobicContact CB-CG2 4.03Å; P66-Y74 HydrophobicContact CB-CD2 3.75Å; P66-Y74 HydrophobicContact CB-CG 4.44Å; P66-R121 HydrophobicContact CG-CB 3.45Å; P66-R121 VanDerWaalsContact CG-CB 3.45Å; P66-R121 WeakPolarHBondContact CG-O 3.36Å; P66-F122 HydrophobicContact CB-CD1 3.65Å; P66-F122 HydrophobicContact CB-CE1 3.73Å; P66-F122 HydrophobicContact CG-CD1 3.69Å; P66-F122 HydrophobicContact CG-CE1 4.04Å
67D96.6Very high97.3Very high68 Ų6848.7 Ų48.736%0.36423%0.231SC..THydrogen-bonded Turntrans5633.2173.4-64.4-43.6000115.2R65 H69 G130 V131R65-D67 VanDerWaalsContact C-N 3.3Å; D67-H69 PolarHBondContact O-CD2 3.34Å; D67-G130 VanDerWaalsContact O-CA 3.28Å; D67-G130 WeakPolarHBondContact O-CA 3.21Å; D67-V131 HydrophobicContact CB-CB 4.05Å; D67-V131 PolarHBondContact O-N 3.24Å; D67-V131 VanDerWaalsContact O-N 3.09Å
68G97.2Very high97.2Very high8 Ų851 Ų518%0.08225%0.246CC..THydrogen-bonded Turntrans87.915.5175.300000115.1P66 R121 F122P66-G68 VanDerWaalsContact C-N 3.27Å; P66-G68 PolarHBondContact O-N 3.46Å; G68-R121 VanDerWaalsContact CA-O 3.24Å; G68-R121 WeakPolarHBondContact CA-O 3.17Å; G68-R121 PolarHBondContact N-O 3.49Å; G68-R121 VanDerWaalsContact N-O 3.16Å; G68-F122 CarbonylContact C-O 3.57Å
69H95.2Very high97.2Very high64 Ų6451 Ų5130%0.29625%0.246SC..SBendtrans-135.7156.6-179.4-58.7-67.7000112.2P66 D67 V71 F122 V131 S132P66-H69 WeakPolarHBondContact CB-O 3.38Å; P66-H69 PolarHBondContact O-N 2.87Å; D67-H69 PolarHBondContact O-CD2 3.34Å; H69-V71 PolarHBondContact O-N 2.82Å; H69-F122 PolarHBondContact N-O 3.49Å; H69-F122 WeakPolarHBondContact O-CD1 3.27Å; H69-V131 PolarHBondContact CD2-O 2.86Å; H69-V131 VanDerWaalsContact CD2-O 3.23Å; H69-V131 PolarHBondContact NE2-O 2.83Å; H69-S132 WeakPolarHBondContact NE2-CA 3.33Å
70K96.2Very high97.2Very high124 Ų12451.5 Ų51.554%0.53925%0.249SC..  trans-69124.4175.9-63.1-166.8178.1-1710110.1D96 F122K70-D96 IonicContact NZ-OD2 2.79Å; K70-D96 PolarHBondContact NZ-OD2 2.73Å; K70-F122 HydrophobicContact CB-CD2 4.16Å; K70-F122 HydrophobicContact CB-CE2 4.34Å; K70-F122 HydrophobicContact CB-CG 4.43Å; K70-F122 HydrophobicContact CD-CD2 4.42Å; K70-F122 HydrophobicContact CG-CB 4.13Å; K70-F122 HydrophobicContact CG-CD2 3.73Å; K70-F122 HydrophobicContact CG-CE2 4.32Å; K70-F122 HydrophobicContact CG-CG 4.06Å
71V95.5Very high97.2Very high49 Ų4955.3 Ų55.330%0.29727%0.274SS..  trans-136.6115.7177.1-173.90000108.8P66 H69 K73 Y74 F122P66-V71 HydrophobicContact CB-CB 4.35Å; P66-V71 HydrophobicContact CB-CG2 4.03Å; H69-V71 PolarHBondContact O-N 2.82Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 HydrophobicContact CG1-CG 3.88Å; V71-K73 PolarHBondContact O-N 3.44Å; V71-K73 VanDerWaalsContact O-N 3.12Å; V71-Y74 HydrophobicContact CB-CD2 3.96Å; V71-Y74 HydrophobicContact CG1-CD2 4.03Å; V71-Y74 WeakPolarHBondContact O-CA 3.48Å; V71-Y74 PolarHBondContact O-N 3.27Å; V71-F122 VanDerWaalsContact O-CZ 3.32Å; V71-F122 WeakPolarHBondContact O-CZ 3.5Å
72D95.4Very high97.2Very high153 Ų15357.9 Ų57.982%0.81829%0.286SS*.G310 helixtrans-51.7-41.9-170.1-67.3-7.6000114.3Y74 S75D72-Y74 PolarHBondContact O-N 3Å; D72-Y74 VanDerWaalsContact O-N 3.08Å; D72-S75 WeakPolarHBondContact O-CB 3.39Å; D72-S75 PolarHBondContact O-N 3.43Å; D72-S75 VanDerWaalsContact O-N 3.1Å
73K95.8Very high97.2Very high143 Ų14357.7 Ų57.762%0.62229%0.285SS*.G310 helixtrans-63.5-15.517970.1174.9176.2176.10114.4V71V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 HydrophobicContact CG1-CG 3.88Å; V71-K73 PolarHBondContact O-N 3.44Å; V71-K73 VanDerWaalsContact O-N 3.12Å
74Y97.2Very high97.2Very high56 Ų5659.1 Ų59.122%0.2230%0.295CS..G310 helixtrans-110.711.7179.8-63.4-45.4000112.5R65 P66 V71 D72 N119R65-Y74 WeakPolarHBondContact O-CE2 3.4Å; P66-Y74 HydrophobicContact CB-CD2 3.75Å; P66-Y74 HydrophobicContact CB-CG 4.44Å; V71-Y74 HydrophobicContact CB-CD2 3.96Å; V71-Y74 HydrophobicContact CG1-CD2 4.03Å; V71-Y74 WeakPolarHBondContact O-CA 3.48Å; V71-Y74 PolarHBondContact O-N 3.27Å; D72-Y74 PolarHBondContact O-N 3Å; D72-Y74 VanDerWaalsContact O-N 3.08Å; Y74-N119 PolarHBondContact O-ND2 3.02Å
75S98.3Very high97.3Very high18 Ų1865.6 Ų65.613%0.12632%0.319CS..  trans-66.2142170.7177.50000111L63 D72 K77 P78 E118L63-S75 WeakPolarHBondContact CD2-O 3.39Å; D72-S75 WeakPolarHBondContact O-CB 3.39Å; D72-S75 PolarHBondContact O-N 3.43Å; D72-S75 VanDerWaalsContact O-N 3.1Å; S75-K77 VanDerWaalsContact C-N 3.27Å; S75-K77 VanDerWaalsContact OG-CB 3.29Å; S75-K77 WeakPolarHBondContact OG-CB 3.25Å; S75-K77 PolarHBondContact OG-N 3.1Å; S75-K77 VanDerWaalsContact OG-N 3.1Å; S75-P78 VanDerWaalsContact O-CD 3.26Å; S75-P78 WeakPolarHBondContact O-CD 3.11Å; S75-E118 WeakPolarHBondContact CA-OE1 3.45Å; S75-E118 WeakPolarHBondContact CB-OE2 3.26Å; S75-E118 PolarHBondContact OG-OE1 3.45Å; S75-E118 PolarHBondContact OG-OE2 2.88Å
76L98.6Very high97.4Very high0 Ų059.6 Ų59.60%030%0.3CS..SBendtrans-80.3-6.1171.4-76.7173.3000112.8F24 L63 P78 V79 C80 F93 L116 L117 E118 N119F24-L76 HydrophobicContact CB-CD2 4.33Å; L63-L76 HydrophobicContact CB-CD2 3.87Å; L63-L76 HydrophobicContact CB-CG 4.31Å; L63-L76 HydrophobicContact CD2-CD2 4.39Å; L76-P78 VanDerWaalsContact C-CD 3.45Å; L76-P78 VanDerWaalsContact C-N 3.34Å; L76-V79 HydrophobicContact CD2-CB 4.32Å; L76-V79 HydrophobicContact CD2-CG2 3.96Å; L76-V79 WeakPolarHBondContact O-CA 3.4Å; L76-V79 VanDerWaalsContact O-CB 3.25Å; L76-V79 WeakPolarHBondContact O-CB 3.31Å; L76-V79 PolarHBondContact O-N 3.24Å; L76-C80 PolarHBondContact O-N 3.45Å; L76-F93 HydrophobicContact CB-CE2 3.99Å; L76-L116 HydrophobicContact CB-CD2 4.41Å; L76-L116 HydrophobicContact CD1-CD1 4.5Å; L76-L117 WeakPolarHBondContact CD1-O 3.43Å; L76-E118 PolarHBondContact N-OE1 2.99Å; L76-N119 HydrophobicContact CD1-CB 4.41Å; L76-N119 HydrophobicContact CG-CB 4.33Å
77K98.3Very high97.5Very high124 Ų12459.8 Ų59.854%0.53930%0.301SS..THydrogen-bonded Turntrans-52.4-43.3179.6-171.8175.5-177.6175.30113.6S75 V79 C80 P81 F93S75-K77 VanDerWaalsContact C-N 3.27Å; S75-K77 VanDerWaalsContact OG-CB 3.29Å; S75-K77 WeakPolarHBondContact OG-CB 3.25Å; S75-K77 PolarHBondContact OG-N 3.1Å; S75-K77 VanDerWaalsContact OG-N 3.1Å; K77-V79 PolarHBondContact O-N 3.5Å; K77-C80 WeakPolarHBondContact O-CB 3.27Å; K77-C80 PolarHBondContact O-N 2.97Å; K77-P81 WeakPolarHBondContact O-CD 3.25Å; K77-F93 HydrophobicContact CB-CD1 4.04Å; K77-F93 HydrophobicContact CB-CE1 3.65Å; K77-F93 HydrophobicContact CB-CE2 4.21Å; K77-F93 HydrophobicContact CB-CG 4.45Å; K77-F93 HydrophobicContact CB-CZ 3.74Å; K77-F93 HydrophobicContact CD-CD1 4.33Å; K77-F93 HydrophobicContact CD-CE1 4.28Å; K77-F93 HydrophobicContact CG-CD1 3.91Å; K77-F93 HydrophobicContact CG-CE1 3.99Å; K77-F93 HydrophobicContact CG-CG 4.37Å
78P97.9Very high97.6Very high48 Ų4860 Ų6031%0.31232%0.319SS..THydrogen-bonded Turntrans-71.8-14.5177.7-15.731.8000114.2M28 G31 S75 L76M28-P78 HydrophobicContact CE-CB 3.82Å; M28-P78 HydrophobicContact CE-CG 4.16Å; G31-P78 WeakPolarHBondContact O-CB 3.28Å; S75-P78 VanDerWaalsContact O-CD 3.26Å; S75-P78 WeakPolarHBondContact O-CD 3.11Å; L76-P78 VanDerWaalsContact C-CD 3.45Å; L76-P78 VanDerWaalsContact C-N 3.34Å
79V98.5Very high97.6Very high0 Ų063.7 Ų63.70%033%0.333CS..THydrogen-bonded Turntrans-78.6-31.6175.1-179.60000110.7F24 V26 V33 I39 L76 K77 E82 V83 L116F24-V79 HydrophobicContact CB-CG1 4.2Å; F24-V79 HydrophobicContact CD2-CG1 4.12Å; F24-V79 HydrophobicContact CG-CG1 4.37Å; V26-V79 HydrophobicContact CG2-CG2 3.89Å; V33-V79 HydrophobicContact CG2-CG2 4.11Å; I39-V79 HydrophobicContact CD1-CG1 3.75Å; I39-V79 HydrophobicContact CG1-CG1 4.21Å; L76-V79 HydrophobicContact CD2-CB 4.32Å; L76-V79 HydrophobicContact CD2-CG2 3.96Å; L76-V79 WeakPolarHBondContact O-CA 3.4Å; L76-V79 VanDerWaalsContact O-CB 3.25Å; L76-V79 WeakPolarHBondContact O-CB 3.31Å; L76-V79 PolarHBondContact O-N 3.24Å; K77-V79 PolarHBondContact O-N 3.5Å; V79-E82 PolarHBondContact O-N 2.75Å; V79-V83 HydrophobicContact CG1-CG2 3.92Å; V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 3.38Å; V79-V83 VanDerWaalsContact O-N 3.09Å; V79-L116 HydrophobicContact CB-CD2 4.49Å
80C98.5Very high97.8Very high11 Ų1168 Ų687%0.07435%0.353CS..Hα-helixtrans-53.4-46.1-175.9-165.30000114.4L76 K77 E82 V83 S84 V91 F93 L116L76-C80 PolarHBondContact O-N 3.45Å; K77-C80 WeakPolarHBondContact O-CB 3.27Å; K77-C80 PolarHBondContact O-N 2.97Å; C80-E82 VanDerWaalsContact C-N 3.32Å; C80-E82 PolarHBondContact O-N 2.86Å; C80-V83 PolarHBondContact O-N 3.31Å; C80-S84 PolarHBondContact O-N 3Å; C80-V91 PolarHBondContact SG-O 3.24Å; C80-F93 HydrophobicContact CB-CB 4.23Å; C80-F93 HydrophobicContact CB-CD2 4.23Å; C80-L116 HydrophobicContact CB-CD2 3.88Å
81P98.2Very high97.9Very high79 Ų7962.7 Ų62.751%0.51333%0.331SS..Hα-helixtrans-61.5-36.2176.6-24.235.6000113.7K77 S84 K85K77-P81 WeakPolarHBondContact O-CD 3.25Å; P81-S84 PolarHBondContact O-N 2.85Å; P81-K85 WeakPolarHBondContact O-CB 3.31Å; P81-K85 PolarHBondContact O-N 2.64Å
82E98.4Very high98Very high54 Ų5463.1 Ų63.125%0.25233%0.334SS..Hα-helixtrans-70.6-38.1178.3-65.1-56.7143.600111.7V33 T36 I39 V79 C80 K85 L86V33-E82 HydrophobicContact CB-CG 4.13Å; V33-E82 HydrophobicContact CG2-CG 4.02Å; T36-E82 HydrophobicContact CG2-CB 4.34Å; T36-E82 HydrophobicContact CG2-CG 4.29Å; I39-E82 HydrophobicContact CD1-CB 3.77Å; V79-E82 PolarHBondContact O-N 2.75Å; C80-E82 VanDerWaalsContact C-N 3.32Å; C80-E82 PolarHBondContact O-N 2.86Å; E82-K85 PolarHBondContact O-N 3.13Å; E82-L86 WeakPolarHBondContact O-CB 3.43Å; E82-L86 WeakPolarHBondContact O-CG 3.46Å; E82-L86 PolarHBondContact O-N 3.11Å
83V98.7Very high98.2Very high0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-61.6-48.1172.4-175.20000109.9F24 I39 I43 L59 V79 C80 K85 L86 L87 V91 L116F24-V83 HydrophobicContact CD2-CG2 4.03Å; F24-V83 HydrophobicContact CE2-CG1 4.28Å; F24-V83 HydrophobicContact CE2-CG2 3.5Å; F24-V83 HydrophobicContact CZ-CG1 4.44Å; F24-V83 HydrophobicContact CZ-CG2 4.06Å; I39-V83 HydrophobicContact CG2-CB 4.31Å; I39-V83 HydrophobicContact CG2-CG2 3.79Å; I43-V83 HydrophobicContact CD1-CG1 4.5Å; L59-V83 HydrophobicContact CD1-CG1 3.96Å; V79-V83 HydrophobicContact CG1-CG2 3.92Å; V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 3.38Å; V79-V83 VanDerWaalsContact O-N 3.09Å; C80-V83 PolarHBondContact O-N 3.31Å; V83-K85 VanDerWaalsContact C-N 3.35Å; V83-K85 PolarHBondContact O-N 3.01Å; V83-L86 PolarHBondContact O-N 2.84Å; V83-L87 WeakPolarHBondContact O-CB 3.39Å; V83-L87 PolarHBondContact O-N 2.98Å; V83-V91 HydrophobicContact CB-CG2 4.45Å; V83-V91 HydrophobicContact CG1-CG2 4.04Å; V83-L116 HydrophobicContact CG2-CD2 4.46Å
84S98.7Very high98.3Very high34 Ų3451.7 Ų51.724%0.23828%0.278CS..Hα-helixtrans-56.8-47.2178177.30000112C80 P81 L87 G88 K89C80-S84 PolarHBondContact O-N 3Å; P81-S84 PolarHBondContact O-N 2.85Å; S84-L87 PolarHBondContact O-N 2.87Å; S84-G88 PolarHBondContact O-N 2.83Å; S84-K89 VanDerWaalsContact CA-O 3.26Å; S84-K89 WeakPolarHBondContact CA-O 3.41Å; S84-K89 PolarHBondContact O-N 2.88Å; S84-K89 PolarHBondContact OG-O 3.11Å; S84-K89 VanDerWaalsContact OG-O 3.06Å
85K98.4Very high98.4Very high153 Ų15354.2 Ų54.267%0.66530%0.295SS*.Hα-helixtrans-60.3-49.6177.7179.1-178173.3-172.30112.7P81 E82 V83 G88P81-K85 WeakPolarHBondContact O-CB 3.31Å; P81-K85 PolarHBondContact O-N 2.64Å; E82-K85 PolarHBondContact O-N 3.13Å; V83-K85 VanDerWaalsContact C-N 3.35Å; V83-K85 PolarHBondContact O-N 3.01Å; K85-G88 PolarHBondContact O-N 2.89Å
86L98.4Very high98.4Very high58 Ų5855.1 Ų55.130%0.30430%0.299SS..Hα-helixtrans-72.5-31.3-178.4-70.1174.8000112.9I39 A40 I43 E82 V83 G88I39-L86 HydrophobicContact CB-CD1 3.99Å; I39-L86 HydrophobicContact CG2-CD1 3.73Å; A40-L86 HydrophobicContact CB-CD1 4.27Å; I43-L86 HydrophobicContact CD1-CB 4.03Å; I43-L86 HydrophobicContact CG1-CB 3.98Å; E82-L86 WeakPolarHBondContact O-CB 3.43Å; E82-L86 WeakPolarHBondContact O-CG 3.46Å; E82-L86 PolarHBondContact O-N 3.11Å; V83-L86 PolarHBondContact O-N 2.84Å; L86-G88 VanDerWaalsContact C-N 3.35Å
87L98.4Very high98.4Very high12 Ų1255.1 Ų55.16%0.06330%0.299CS..Hα-helixtrans-72.1-31.9174.5-173.958.3000111.6I43 I46 K47 L50 V83 S84 K89 V91 V114I43-L87 HydrophobicContact CD1-CB 4.28Å; I43-L87 HydrophobicContact CG2-CD1 4.47Å; I46-L87 HydrophobicContact CB-CD1 4.35Å; I46-L87 HydrophobicContact CG2-CD1 3.73Å; I46-L87 HydrophobicContact CG2-CD2 3.93Å; K47-L87 VanDerWaalsContact CE-O 3.3Å; K47-L87 WeakPolarHBondContact CE-O 3.42Å; K47-L87 HydrophobicContact CG-CD1 3.58Å; L50-L87 HydrophobicContact CD1-CD1 4.3Å; L50-L87 HydrophobicContact CD1-CD2 4.33Å; V83-L87 WeakPolarHBondContact O-CB 3.39Å; V83-L87 PolarHBondContact O-N 2.98Å; S84-L87 PolarHBondContact O-N 2.87Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 HydrophobicContact CD2-CB 4.06Å; L87-K89 HydrophobicContact CG-CB 3.98Å; L87-V91 HydrophobicContact CD2-CG2 4.13Å; L87-V114 HydrophobicContact CD2-CB 4.45Å; L87-V114 HydrophobicContact CD2-CG1 4.15Å; L87-V114 HydrophobicContact CD2-CG2 4Å
88G98.1Very high98.4Very high71 Ų7150.3 Ų50.373%0.73228%0.279SS*.THydrogen-bonded Turntrans75.624.8-171.500000112.5S84 K85 L86S84-G88 PolarHBondContact O-N 2.83Å; K85-G88 PolarHBondContact O-N 2.89Å; L86-G88 VanDerWaalsContact C-N 3.35Å
89K97.8Very high98.3Very high87 Ų8749.3 Ų49.338%0.37828%0.277SS..SBendtrans-149.7143.7-175.9-170.8169.2-166.9166.90110.2L50 S84 L87 V91 G112 V114L50-K89 HydrophobicContact CD1-CD 4.34Å; S84-K89 VanDerWaalsContact CA-O 3.26Å; S84-K89 WeakPolarHBondContact CA-O 3.41Å; S84-K89 PolarHBondContact O-N 2.88Å; S84-K89 PolarHBondContact OG-O 3.11Å; S84-K89 VanDerWaalsContact OG-O 3.06Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 HydrophobicContact CD2-CB 4.06Å; L87-K89 HydrophobicContact CG-CB 3.98Å; K89-V91 PolarHBondContact O-N 3.02Å; K89-G112 WeakPolarHBondContact CE-O 3.43Å; K89-G112 PolarHBondContact NZ-O 2.89Å; K89-V114 HydrophobicContact CD-CG2 4.34Å
90E98.2Very high98.2Very high154 Ų15454 Ų5472%0.7231%0.308SS*.  trans-56.5134.8175-171.5-179.3173.300111.5
91V98.8Very high98.1Very high12 Ų1260 Ų607%0.07334%0.34CS..  trans-119.3123.5173.9-179.60000107.9C80 V83 L87 K89 V114 L116C80-V91 PolarHBondContact SG-O 3.24Å; V83-V91 HydrophobicContact CB-CG2 4.45Å; V83-V91 HydrophobicContact CG1-CG2 4.04Å; L87-V91 HydrophobicContact CD2-CG2 4.13Å; K89-V91 PolarHBondContact O-N 3.02Å; V91-V114 WeakPolarHBondContact CA-O 3.49Å; V91-V114 HydrophobicContact CG1-CG1 4.16Å; V91-V114 HydrophobicContact CG2-CB 4.19Å; V91-V114 HydrophobicContact CG2-CG1 3.93Å; V91-L116 HydrophobicContact CG1-CB 3.84Å
92T98.7Very high98.2Very high58 Ų5856.6 Ų56.636%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-86.2120.9177.3-54.50000109.7L94 V114 F115 L116T92-L94 HydrophobicContact CG2-CD2 4.35Å; T92-V114 PolarHBondContact N-O 3.07Å; T92-F115 HydrophobicContact CG2-CD1 4.07Å; T92-F115 HydrophobicContact CG2-CE1 4.1Å; T92-F115 CarbonylContact O-C 3.55Å; T92-F115 VanDerWaalsContact O-CA 3.25Å; T92-F115 WeakPolarHBondContact O-CA 3.24Å; T92-L116 PolarHBondContact O-N 3.47Å
93F98.7Very high98.1Very high34 Ų3455.7 Ų55.715%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-81.4132.3173.9-173.9-106000111.1L76 K77 C80 N95 L116 E118L76-F93 HydrophobicContact CB-CE2 3.99Å; K77-F93 HydrophobicContact CB-CD1 4.04Å; K77-F93 HydrophobicContact CB-CE1 3.65Å; K77-F93 HydrophobicContact CB-CE2 4.21Å; K77-F93 HydrophobicContact CB-CG 4.45Å; K77-F93 HydrophobicContact CB-CZ 3.74Å; K77-F93 HydrophobicContact CD-CD1 4.33Å; K77-F93 HydrophobicContact CD-CE1 4.28Å; K77-F93 HydrophobicContact CG-CD1 3.91Å; K77-F93 HydrophobicContact CG-CE1 3.99Å; K77-F93 HydrophobicContact CG-CG 4.37Å; C80-F93 HydrophobicContact CB-CB 4.23Å; C80-F93 HydrophobicContact CB-CD2 4.23Å; F93-N95 WeakPolarHBondContact CE1-OD1 3.35Å; F93-L116 WeakPolarHBondContact CA-O 3.37Å; F93-L116 HydrophobicContact CD2-CB 4.32Å; F93-L116 HydrophobicContact CD2-CD2 4.32Å; F93-L116 HydrophobicContact CD2-CG 4.19Å; F93-L116 WeakPolarHBondContact CD2-O 3.24Å; F93-L116 HydrophobicContact CE2-CG 4.45Å; F93-E118 HydrophobicContact CZ-CB 3.96Å; F93-E118 HydrophobicContact CZ-CG 4.31Å; F93-E118 WeakPolarHBondContact CZ-OE2 3.46Å
94L98.7Very high98.1Very high23 Ų2361.1 Ų61.112%0.1234%0.344CS..EExtended strand (participates in β ladder)trans-105.7128.9170.8-57.2-175.5000109T92 D96 V102 A105 F115 L116 L117 E118T92-L94 HydrophobicContact CG2-CD2 4.35Å; L94-D96 PolarHBondContact O-N 2.84Å; L94-V102 HydrophobicContact CD1-CG1 3.96Å; L94-A105 HydrophobicContact CD1-CB 4.02Å; L94-A105 HydrophobicContact CD2-CB 4.08Å; L94-F115 HydrophobicContact CD1-CB 4.35Å; L94-F115 HydrophobicContact CD1-CD1 3.98Å; L94-F115 HydrophobicContact CD1-CG 4.35Å; L94-F115 HydrophobicContact CD2-CD1 4.04Å; L94-F115 HydrophobicContact CD2-CE1 4.46Å; L94-F115 HydrophobicContact CG-CD1 4.01Å; L94-L116 PolarHBondContact N-O 2.71Å; L94-L117 HydrophobicContact CB-CD2 4.23Å; L94-L117 HydrophobicContact CD1-CD2 3.77Å; L94-L117 HydrophobicContact CG-CD2 4.39Å; L94-E118 PolarHBondContact O-N 3.25Å; L94-E118 VanDerWaalsContact O-N 3.09Å
95N97.8Very high98.1Very high109 Ų10961.1 Ų61.158%0.58335%0.347SS*.SBendtrans-73.58.3-173.6-60.9-54.7000114.5F93F93-N95 WeakPolarHBondContact CE1-OD1 3.35Å
96D98.3Very high98.1Very high37 Ų3753.9 Ų53.920%0.19832%0.315CS..  trans-151171.5172.8-138.1-54.1000109.8K70 L94 V102 E118 H123K70-D96 IonicContact NZ-OD2 2.79Å; K70-D96 PolarHBondContact NZ-OD2 2.73Å; L94-D96 PolarHBondContact O-N 2.84Å; D96-V102 HydrophobicContact CB-CG2 4Å; D96-V102 WeakPolarHBondContact O-CG2 3.35Å; D96-E118 PolarHBondContact O-N 3.26Å; D96-H123 IonicContact OD1-CD2 3.53Å; D96-H123 IonicContact OD1-CE1 3.41Å; D96-H123 PolarHBondContact OD1-CE1 3.2Å; D96-H123 IonicContact OD1-NE2 3.84Å; D96-H123 PolarHBondContact OD1-NE2 2.86Å
97C98.4Very high98Very high0 Ų053.4 Ų53.40%032%0.32CS..SBendtrans-111.2-11.7176.465.80000113.9L117 E118 L120 H123 L152C97-L117 HydrophobicContact CB-CB 3.88Å; C97-L117 HydrophobicContact CB-CD1 3.98Å; C97-E118 WeakPolarHBondContact CB-O 3.26Å; C97-L120 HydrophobicContact CB-CD2 4.13Å; C97-H123 PolarHBondContact SG-CD2 2.84Å; C97-L152 WeakPolarHBondContact O-CD2 3.4Å
98V98.1Very high98Very high23 Ų2359 Ų5914%0.13935%0.349CS..SBendtrans-139.2170.7-179.7-68.50000110.7V102 H123 F148 S151 L152V98-V102 WeakPolarHBondContact O-CG2 3.47Å; V98-H123 VanDerWaalsContact CG2-CE1 3.45Å; V98-H123 WeakPolarHBondContact CG2-CE1 3.43Å; V98-F148 HydrophobicContact CB-CD2 4.42Å; V98-F148 HydrophobicContact CB-CE2 4.44Å; V98-F148 HydrophobicContact CG1-CD2 3.61Å; V98-F148 HydrophobicContact CG1-CE2 3.52Å; V98-F148 HydrophobicContact CG1-CG 4.4Å; V98-F148 HydrophobicContact CG1-CZ 4.29Å; V98-F148 HydrophobicContact CG2-CD2 4.07Å; V98-F148 HydrophobicContact CG2-CE2 4.03Å; V98-S151 WeakPolarHBondContact CB-OG 3.47Å; V98-L152 HydrophobicContact CG1-CD2 3.86Å; V98-L152 HydrophobicContact CG1-CG 4.12Å
99G96.1Very high97.9Very high26 Ų2656.3 Ų56.327%0.26832%0.319SS..SBendtrans97.9173.6175.700000114.8D101 V102 V103 S151G99-D101 PolarHBondContact O-N 3.07Å; G99-V102 PolarHBondContact O-N 3.35Å; G99-V103 WeakPolarHBondContact O-CG2 3.38Å; G99-V103 PolarHBondContact O-N 3.2Å; G99-S151 PolarHBondContact N-OG 3.21Å
100P96.8Very high97.9Very high100 Ų10055.2 Ų55.265%0.64933%0.327SS*.Hα-helixtrans-59.2-41.8-168.8-2635.3000114.1V102 V103 N104P100-V102 PolarHBondContact O-N 2.91Å; P100-V103 PolarHBondContact O-N 2.87Å; P100-N104 VanDerWaalsContact O-CB 3.32Å; P100-N104 WeakPolarHBondContact O-CB 3.46Å; P100-N104 PolarHBondContact O-N 3.41Å; P100-N104 PolarHBondContact O-ND2 2.8Å
101D97.6Very high97.9Very high137 Ų13753.4 Ų53.473%0.73333%0.328SS*.Hα-helixtrans-65.6-41.3-177.6-65.3-21.5000112G99 N104 A105G99-D101 PolarHBondContact O-N 3.07Å; D101-N104 PolarHBondContact O-N 3.34Å; D101-A105 WeakPolarHBondContact O-CB 3.16Å; D101-A105 PolarHBondContact O-N 2.93Å
102V98.5Very high97.8Very high6 Ų653.4 Ų53.44%0.03633%0.331CS..Hα-helixtrans-65.8-45.5176.3-178.60000110.4L94 D96 V98 G99 P100 N104 A105 C106 L117 L155L94-V102 HydrophobicContact CD1-CG1 3.96Å; D96-V102 HydrophobicContact CB-CG2 4Å; D96-V102 WeakPolarHBondContact O-CG2 3.35Å; V98-V102 WeakPolarHBondContact O-CG2 3.47Å; G99-V102 PolarHBondContact O-N 3.35Å; P100-V102 PolarHBondContact O-N 2.91Å; V102-N104 PolarHBondContact O-N 3.44Å; V102-A105 PolarHBondContact O-N 3.5Å; V102-C106 PolarHBondContact O-N 2.88Å; V102-C106 VanDerWaalsContact O-N 3.07Å; V102-C106 PolarHBondContact O-SG 3.3Å; V102-C106 VanDerWaalsContact O-SG 3.39Å; V102-L117 HydrophobicContact CG1-CD2 3.71Å; V102-L155 HydrophobicContact CG1-CD1 4Å; V102-L155 HydrophobicContact CG1-CD2 3.85Å
103V98.1Very high97.8Very high35 Ų3552 Ų5221%0.21232%0.323CS..Hα-helixtrans-61.1-44.9177.7172.10000111G99 P100 C106 A107 K154 L155G99-V103 WeakPolarHBondContact O-CG2 3.38Å; G99-V103 PolarHBondContact O-N 3.2Å; P100-V103 PolarHBondContact O-N 2.87Å; V103-C106 CarbonylContact O-C 3.56Å; V103-C106 PolarHBondContact O-N 3Å; V103-A107 WeakPolarHBondContact O-CB 3.42Å; V103-A107 PolarHBondContact O-N 3.14Å; V103-K154 HydrophobicContact CG2-CB 4.34Å; V103-K154 HydrophobicContact CG2-CD 4.45Å; V103-L155 HydrophobicContact CG2-CD2 4.02Å
104N98.1Very high97.8Very high114 Ų11450.5 Ų50.561%0.6132%0.317SS*.Hα-helixtrans-64.2-43.6179.6-72.7-22.7000111.9P100 D101 V102 C106 A107P100-N104 VanDerWaalsContact O-CB 3.32Å; P100-N104 WeakPolarHBondContact O-CB 3.46Å; P100-N104 PolarHBondContact O-N 3.41Å; P100-N104 PolarHBondContact O-ND2 2.8Å; D101-N104 PolarHBondContact O-N 3.34Å; V102-N104 PolarHBondContact O-N 3.44Å; N104-C106 VanDerWaalsContact C-N 3.27Å; N104-C106 PolarHBondContact O-N 3.38Å; N104-A107 PolarHBondContact O-N 3.14Å
105A98.1Very high97.8Very high35 Ų3550 Ų5029%0.28931%0.314SS..Hα-helixtrans-60.3-37176.200000112.3L94 D101 V102L94-A105 HydrophobicContact CD1-CB 4.02Å; L94-A105 HydrophobicContact CD2-CB 4.08Å; D101-A105 WeakPolarHBondContact O-CB 3.16Å; D101-A105 PolarHBondContact O-N 2.93Å; V102-A105 PolarHBondContact O-N 3.5Å
106C98.1Very high97.9Very high0 Ų044.9 Ų44.90%029%0.286CS..Hα-helixtrans-91.9-6.5-178.5-60.80000114.6R17 V58 V102 V103 N104 P109 L155R17-C106 WeakPolarHBondContact CD-O 3.33Å; R17-C106 PolarHBondContact NH1-O 3.2Å; V58-C106 HydrophobicContact CG2-CB 4.16Å; V102-C106 PolarHBondContact O-N 2.88Å; V102-C106 VanDerWaalsContact O-N 3.07Å; V102-C106 PolarHBondContact O-SG 3.3Å; V102-C106 VanDerWaalsContact O-SG 3.39Å; V103-C106 CarbonylContact O-C 3.56Å; V103-C106 PolarHBondContact O-N 3Å; N104-C106 VanDerWaalsContact C-N 3.27Å; N104-C106 PolarHBondContact O-N 3.38Å; C106-P109 WeakPolarHBondContact O-CD 3.49Å; C106-L155 HydrophobicContact CB-CD2 4.12Å
107A97.5Very high97.9Very high49 Ų4943.1 Ų43.141%0.40528%0.277SS..Hα-helixtrans-69.5-47.5-174.800000112.7V103 N104V103-A107 WeakPolarHBondContact O-CB 3.42Å; V103-A107 PolarHBondContact O-N 3.14Å; N104-A107 PolarHBondContact O-N 3.14Å
108N96.6Very high97.9Very high128 Ų12843.8 Ų43.868%0.68428%0.28SS*.SBendtrans-145.458-177.7-170.233.5000112.7K55K55-N108 WeakPolarHBondContact CE-OD1 3.46Å; K55-N108 PolarHBondContact NZ-OD1 3.32Å
109P96.9Very high98Very high15 Ų1542.7 Ų42.710%0.09727%0.273CS..PPolyproline II helixtrans-70.6165.9178.233.8-39000111.7K55 S56 C106 F115K55-P109 WeakPolarHBondContact CE-O 3.41Å; S56-P109 WeakPolarHBondContact OG-CG 3.47Å; C106-P109 WeakPolarHBondContact O-CD 3.49Å; P109-F115 HydrophobicContact CB-CE2 3.63Å; P109-F115 HydrophobicContact CB-CZ 3.71Å; P109-F115 HydrophobicContact CG-CE2 3.93Å; P109-F115 HydrophobicContact CG-CZ 4.46Å
110A97.6Very high98.1Very high65 Ų6541.5 Ų41.554%0.53726%0.261SS..PPolyproline II helixtrans-60.7147.1173.300000111G112 S113A110-G112 PolarHBondContact O-N 3.29Å; A110-S113 WeakPolarHBondContact O-CB 3.5Å; A110-S113 PolarHBondContact O-N 2.67Å; A110-S113 VanDerWaalsContact O-N 3.09Å; A110-S113 PolarHBondContact O-OG 3.32Å
111P98Very high98.2Very high116 Ų11637.7 Ų37.775%0.75323%0.233SC*.THydrogen-bonded Turntrans-54.4130.8176.3-27.936.1000112.9K55K55-P111 CarbonylContact O-C 3.47Å; K55-P111 WeakPolarHBondContact O-CA 3.44Å
112G97.6Very high98.2Very high12 Ų1231.9 Ų31.912%0.12420%0.201CC..THydrogen-bonded Turntrans80.77.7-178.300000115.1K55 K89 A110K55-G112 PolarHBondContact O-N 3.28Å; K89-G112 WeakPolarHBondContact CE-O 3.43Å; K89-G112 PolarHBondContact NZ-O 2.89Å; A110-G112 PolarHBondContact O-N 3.29Å
113S98.6Very high98.2Very high29 Ų2933.4 Ų33.420%0.20321%0.208CC..EExtended strand (participates in β ladder)trans-59.9141.4173.2-72.20000111.8S56 V57 A110S56-S113 CarbonylContact C-O 3.55Å; S56-S113 WeakPolarHBondContact CA-O 3.41Å; S56-S113 WeakPolarHBondContact CB-O 3.29Å; V57-S113 PolarHBondContact N-O 3.33Å; A110-S113 WeakPolarHBondContact O-CB 3.5Å; A110-S113 PolarHBondContact O-N 2.67Å; A110-S113 VanDerWaalsContact O-N 3.09Å; A110-S113 PolarHBondContact O-OG 3.32Å
114V98.9Very high98.2Very high1 Ų132.9 Ų32.91%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-125125.9176.2-171.60000108.6L50 V57 L59 L87 K89 V91 T92L50-V114 HydrophobicContact CD1-CG2 3.92Å; L50-V114 HydrophobicContact CD2-CG2 4.07Å; V57-V114 HydrophobicContact CB-CG1 4.35Å; V57-V114 HydrophobicContact CG1-CG1 4.5Å; V57-V114 CarbonylContact O-C 3.55Å; V57-V114 VanDerWaalsContact O-CA 3.32Å; V57-V114 WeakPolarHBondContact O-CA 3.49Å; L59-V114 HydrophobicContact CD1-CG1 4.12Å; L59-V114 HydrophobicContact CG-CG1 4.4Å; L87-V114 HydrophobicContact CD2-CB 4.45Å; L87-V114 HydrophobicContact CD2-CG1 4.15Å; L87-V114 HydrophobicContact CD2-CG2 4Å; K89-V114 HydrophobicContact CD-CG2 4.34Å; V91-V114 WeakPolarHBondContact CA-O 3.49Å; V91-V114 HydrophobicContact CG1-CG1 4.16Å; V91-V114 HydrophobicContact CG2-CB 4.19Å; V91-V114 HydrophobicContact CG2-CG1 3.93Å; T92-V114 PolarHBondContact N-O 3.07Å
115F98.9Very high98.2Very high14 Ų1429.1 Ų29.16%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-113.3142.9178.1-60.1-84000110.4V57 V58 L59 T92 L94 P109V57-F115 PolarHBondContact O-N 2.99Å; V58-F115 HydrophobicContact CG1-CB 4.46Å; V58-F115 HydrophobicContact CG2-CD2 4.15Å; L59-F115 WeakPolarHBondContact CB-O 3.42Å; L59-F115 WeakPolarHBondContact CG-O 3.39Å; L59-F115 PolarHBondContact N-O 3.35Å; T92-F115 HydrophobicContact CG2-CD1 4.07Å; T92-F115 HydrophobicContact CG2-CE1 4.1Å; T92-F115 CarbonylContact O-C 3.55Å; T92-F115 VanDerWaalsContact O-CA 3.25Å; T92-F115 WeakPolarHBondContact O-CA 3.24Å; L94-F115 HydrophobicContact CD1-CB 4.35Å; L94-F115 HydrophobicContact CD1-CD1 3.98Å; L94-F115 HydrophobicContact CD1-CG 4.35Å; L94-F115 HydrophobicContact CD2-CD1 4.04Å; L94-F115 HydrophobicContact CD2-CE1 4.46Å; L94-F115 HydrophobicContact CG-CD1 4.01Å; P109-F115 HydrophobicContact CB-CE2 3.63Å; P109-F115 HydrophobicContact CB-CZ 3.71Å; P109-F115 HydrophobicContact CG-CE2 3.93Å; P109-F115 HydrophobicContact CG-CZ 4.46Å
116L98.9Very high98.2Very high0 Ų027.5 Ų27.50%017%0.17CC..EExtended strand (participates in β ladder)trans-114.2119.2163.2177.761.5000108.4F24 L59 L76 V79 C80 V83 V91 T92 F93 L94F24-L116 HydrophobicContact CD2-CD1 4.13Å; F24-L116 HydrophobicContact CE2-CD1 4.3Å; L59-L116 HydrophobicContact CB-CD1 3.9Å; L76-L116 HydrophobicContact CB-CD2 4.41Å; L76-L116 HydrophobicContact CD1-CD1 4.5Å; V79-L116 HydrophobicContact CB-CD2 4.49Å; C80-L116 HydrophobicContact CB-CD2 3.88Å; V83-L116 HydrophobicContact CG2-CD2 4.46Å; V91-L116 HydrophobicContact CG1-CB 3.84Å; T92-L116 PolarHBondContact O-N 3.47Å; F93-L116 WeakPolarHBondContact CA-O 3.37Å; F93-L116 HydrophobicContact CD2-CB 4.32Å; F93-L116 HydrophobicContact CD2-CD2 4.32Å; F93-L116 HydrophobicContact CD2-CG 4.19Å; F93-L116 WeakPolarHBondContact CD2-O 3.24Å; F93-L116 HydrophobicContact CE2-CG 4.45Å; L94-L116 PolarHBondContact N-O 2.71Å
117L98.9Very high98.2Very high0 Ų029.8 Ų29.80%018%0.181CC..EExtended strand (participates in β ladder)trans-74.6156.3174.7-55.7-172.2000111V58 L59 M60 L76 L94 C97 V102 L152 L155V58-L117 HydrophobicContact CG1-CD1 3.99Å; V58-L117 HydrophobicContact CG1-CD2 3.81Å; V58-L117 HydrophobicContact CG1-CG 3.85Å; L59-L117 WeakPolarHBondContact O-CG 3.42Å; L59-L117 PolarHBondContact O-N 2.83Å; M60-L117 HydrophobicContact CB-CB 4.49Å; M60-L117 HydrophobicContact CB-CD1 3.88Å; M60-L117 HydrophobicContact CB-CG 4.4Å; L76-L117 WeakPolarHBondContact CD1-O 3.43Å; L94-L117 HydrophobicContact CB-CD2 4.23Å; L94-L117 HydrophobicContact CD1-CD2 3.77Å; L94-L117 HydrophobicContact CG-CD2 4.39Å; C97-L117 HydrophobicContact CB-CB 3.88Å; C97-L117 HydrophobicContact CB-CD1 3.98Å; V102-L117 HydrophobicContact CG1-CD2 3.71Å; L117-L152 HydrophobicContact CD1-CD2 4.5Å; L117-L155 HydrophobicContact CD1-CD1 3.54Å
118E98.7Very high98.2Very high14 Ų1428.2 Ų28.27%0.06517%0.169CC..  trans-66.3161.9168.6-174.454.9-71.800111.5S75 L76 F93 L94 D96 C97 L120 F122S75-E118 WeakPolarHBondContact CA-OE1 3.45Å; S75-E118 WeakPolarHBondContact CB-OE2 3.26Å; S75-E118 PolarHBondContact OG-OE1 3.45Å; S75-E118 PolarHBondContact OG-OE2 2.88Å; L76-E118 PolarHBondContact N-OE1 2.99Å; F93-E118 HydrophobicContact CZ-CB 3.96Å; F93-E118 HydrophobicContact CZ-CG 4.31Å; F93-E118 WeakPolarHBondContact CZ-OE2 3.46Å; L94-E118 PolarHBondContact O-N 3.25Å; L94-E118 VanDerWaalsContact O-N 3.09Å; D96-E118 PolarHBondContact O-N 3.26Å; C97-E118 WeakPolarHBondContact CB-O 3.26Å; E118-L120 PolarHBondContact O-N 3.49Å; E118-F122 VanDerWaalsContact CD-CE2 3.45Å; E118-F122 HydrophobicContact CG-CD2 3.53Å; E118-F122 HydrophobicContact CG-CE2 3.61Å
119N98.7Very high98.3Very high1 Ų128.8 Ų28.81%0.00517%0.166CC..  trans-49.5115.6-176.4-172.8-7.9000112.8H62 L63 Y74 L76 R121 F122H62-N119 VanDerWaalsContact CA-OD1 3.27Å; H62-N119 WeakPolarHBondContact CA-OD1 3.43Å; L63-N119 PolarHBondContact N-ND2 3.33Å; L63-N119 PolarHBondContact N-OD1 3.05Å; L63-N119 PolarHBondContact O-ND2 3.26Å; Y74-N119 PolarHBondContact O-ND2 3.02Å; L76-N119 HydrophobicContact CD1-CB 4.41Å; L76-N119 HydrophobicContact CG-CB 4.33Å; N119-R121 PolarHBondContact O-N 2.7Å; N119-R121 VanDerWaalsContact O-N 3.13Å; N119-R121 PolarHBondContact OD1-N 3.39Å; N119-F122 HydrophobicContact CB-CD1 3.99Å; N119-F122 HydrophobicContact CB-CD2 4.12Å; N119-F122 HydrophobicContact CB-CE1 4.02Å; N119-F122 HydrophobicContact CB-CE2 4.16Å; N119-F122 HydrophobicContact CB-CG 4.04Å; N119-F122 HydrophobicContact CB-CZ 4.11Å; N119-F122 WeakPolarHBondContact O-CB 3.29Å; N119-F122 PolarHBondContact O-N 3.39Å
120L98.9Very high98.2Very high0 Ų028.5 Ų28.50%017%0.165CC..G310 helixtrans-53-35.8177.3-69.7164.2000112.7M60 S61 C97 E118 F122 H123 E126 F148 L152 S173M60-L120 HydrophobicContact CB-CD1 4.11Å; M60-L120 HydrophobicContact CB-CD2 4.27Å; M60-L120 HydrophobicContact CB-CG 4.35Å; M60-L120 HydrophobicContact CG-CD1 4.21Å; M60-L120 HydrophobicContact SD-CD1 4.35Å; M60-L120 HydrophobicContact SD-CD2 4.2Å; S61-L120 WeakPolarHBondContact O-CD1 3.35Å; S61-L120 VanDerWaalsContact O-CG 3.27Å; S61-L120 WeakPolarHBondContact O-CG 3.48Å; S61-L120 PolarHBondContact O-N 2.78Å; C97-L120 HydrophobicContact CB-CD2 4.13Å; E118-L120 PolarHBondContact O-N 3.49Å; L120-F122 PolarHBondContact O-N 3.28Å; L120-H123 PolarHBondContact O-N 3.42Å; L120-H123 VanDerWaalsContact O-N 3.16Å; L120-E126 HydrophobicContact CB-CB 4.39Å; L120-E126 HydrophobicContact CB-CG 3.87Å; L120-E126 WeakPolarHBondContact O-CB 3.29Å; L120-F148 HydrophobicContact CD2-CE1 4.5Å; L120-F148 HydrophobicContact CD2-CZ 4.01Å; L120-L152 HydrophobicContact CD2-CD1 4.1Å; L120-L152 HydrophobicContact CD2-CD2 4.04Å; L120-S173 WeakPolarHBondContact CD1-OG 3.4Å
121R98.5Very high98.1Very high21 Ų2128 Ų288%0.07916%0.155CC..G310 helixtrans-74.5-4.7-178-68.6-175.2171.6153.410114.1H62 G64 P66 G68 N119 H123 E126 E127H62-R121 HydrophobicContact CB-CG 3.84Å; H62-R121 PolarHBondContact CD2-NH1 2.88Å; H62-R121 PolarHBondContact CD2-NH2 2.74Å; G64-R121 PolarHBondContact O-NH1 3.03Å; P66-R121 HydrophobicContact CG-CB 3.45Å; P66-R121 VanDerWaalsContact CG-CB 3.45Å; P66-R121 WeakPolarHBondContact CG-O 3.36Å; G68-R121 VanDerWaalsContact CA-O 3.24Å; G68-R121 WeakPolarHBondContact CA-O 3.17Å; G68-R121 PolarHBondContact N-O 3.49Å; G68-R121 VanDerWaalsContact N-O 3.16Å; N119-R121 PolarHBondContact O-N 2.7Å; N119-R121 VanDerWaalsContact O-N 3.13Å; N119-R121 PolarHBondContact OD1-N 3.39Å; R121-H123 PolarHBondContact O-N 2.8Å; R121-E126 HydrophobicContact CG-CG 4.22Å; R121-E127 HydrophobicContact CG-CG 4.1Å; R121-E127 IonicContact CZ-OE1 2.67Å; R121-E127 VanDerWaalsContact CZ-OE1 3.24Å; R121-E127 VanDerWaalsContact NE-CD 3.26Å; R121-E127 IonicContact NE-OE1 3.36Å; R121-E127 PolarHBondContact NE-OE1 3.44Å; R121-E127 IonicContact NE-OE2 2.74Å; R121-E127 IonicContact NH2-OE1 2.7Å; R121-E127 PolarHBondContact NH2-OE1 3.07Å
122F98.5Very high97.8Very high14 Ų1423.3 Ų23.36%0.06113%0.125CC..G310 helixtrans-67.8-14.2167.1-71.3-6.5000112.7P66 G68 H69 K70 V71 E118 N119 L120P66-F122 HydrophobicContact CB-CD1 3.65Å; P66-F122 HydrophobicContact CB-CE1 3.73Å; P66-F122 HydrophobicContact CG-CD1 3.69Å; P66-F122 HydrophobicContact CG-CE1 4.04Å; G68-F122 CarbonylContact C-O 3.57Å; H69-F122 PolarHBondContact N-O 3.49Å; H69-F122 WeakPolarHBondContact O-CD1 3.27Å; K70-F122 HydrophobicContact CB-CD2 4.16Å; K70-F122 HydrophobicContact CB-CE2 4.34Å; K70-F122 HydrophobicContact CB-CG 4.43Å; K70-F122 HydrophobicContact CD-CD2 4.42Å; K70-F122 HydrophobicContact CG-CB 4.13Å; K70-F122 HydrophobicContact CG-CD2 3.73Å; K70-F122 HydrophobicContact CG-CE2 4.32Å; K70-F122 HydrophobicContact CG-CG 4.06Å; V71-F122 VanDerWaalsContact O-CZ 3.32Å; V71-F122 WeakPolarHBondContact O-CZ 3.5Å; E118-F122 VanDerWaalsContact CD-CE2 3.45Å; E118-F122 HydrophobicContact CG-CD2 3.53Å; E118-F122 HydrophobicContact CG-CE2 3.61Å; N119-F122 HydrophobicContact CB-CD1 3.99Å; N119-F122 HydrophobicContact CB-CD2 4.12Å; N119-F122 HydrophobicContact CB-CE1 4.02Å; N119-F122 HydrophobicContact CB-CE2 4.16Å; N119-F122 HydrophobicContact CB-CG 4.04Å; N119-F122 HydrophobicContact CB-CZ 4.11Å; N119-F122 WeakPolarHBondContact O-CB 3.29Å; N119-F122 PolarHBondContact O-N 3.39Å; L120-F122 PolarHBondContact O-N 3.28Å
123H98.4Very high97.5Very high39 Ų3928.4 Ų28.418%0.18116%0.157CC..SBendtrans-106.4123.4172.8-65.8-90.6000109D96 C97 V98 L120 R121 E125 E126 F148D96-H123 IonicContact OD1-CD2 3.53Å; D96-H123 IonicContact OD1-CE1 3.41Å; D96-H123 PolarHBondContact OD1-CE1 3.2Å; D96-H123 IonicContact OD1-NE2 3.84Å; D96-H123 PolarHBondContact OD1-NE2 2.86Å; C97-H123 PolarHBondContact SG-CD2 2.84Å; V98-H123 VanDerWaalsContact CG2-CE1 3.45Å; V98-H123 WeakPolarHBondContact CG2-CE1 3.43Å; L120-H123 PolarHBondContact O-N 3.42Å; L120-H123 VanDerWaalsContact O-N 3.16Å; R121-H123 PolarHBondContact O-N 2.8Å; H123-E125 WeakPolarHBondContact CB-OE2 3.35Å; H123-E125 PolarHBondContact O-N 3.07Å; H123-E125 VanDerWaalsContact O-N 3.15Å; H123-E126 WeakPolarHBondContact O-CB 3.17Å; H123-E126 PolarHBondContact O-N 2.99Å; H123-E126 VanDerWaalsContact O-N 3.12Å; H123-F148 HydrophobicContact CB-CD2 4Å; H123-F148 HydrophobicContact CB-CE2 3.47Å; H123-F148 VanDerWaalsContact CB-CE2 3.47Å; H123-F148 HydrophobicContact CB-CZ 4.1Å; H123-F148 AromaticContact CD2-CE2 3.94Å; H123-F148 AromaticContact CG-CE2 3.61Å
124V98Very high97.2Very high24 Ų2432.5 Ų32.515%0.14518%0.18CC..Hα-helixtrans-60.3-24.5179.663.20000112E126 E127 G128 K129 A140V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 2.9Å; V124-E127 PolarHBondContact O-N 3.42Å; V124-G128 CarbonylContact O-C 3.59Å; V124-G128 VanDerWaalsContact O-CA 3.3Å; V124-G128 WeakPolarHBondContact O-CA 3.34Å; V124-G128 PolarHBondContact O-N 3.1Å; V124-K129 PolarHBondContact O-N 2.84Å; V124-A140 HydrophobicContact CG1-CB 4.21Å
125E98.4Very high96.9Very high35 Ų3535.1 Ų35.116%0.16421%0.208CC..Hα-helixtrans-61.4-28.9176.5-65.481.3-179.200113.3H123 A140 Q144 F148H123-E125 WeakPolarHBondContact CB-OE2 3.35Å; H123-E125 PolarHBondContact O-N 3.07Å; H123-E125 VanDerWaalsContact O-N 3.15Å; E125-A140 HydrophobicContact CG-CB 4.16Å; E125-Q144 HydrophobicContact CG-CB 3.81Å; E125-F148 HydrophobicContact CB-CB 3.54Å; E125-F148 HydrophobicContact CB-CD1 4.05Å; E125-F148 HydrophobicContact CB-CD2 4Å; E125-F148 HydrophobicContact CB-CG 3.6Å; E125-F148 HydrophobicContact CG-CB 3.98Å; E125-F148 HydrophobicContact CG-CG 4.42Å
126E98.6Very high96.7Very high1 Ų141 Ų411%0.00524%0.235CC..Hα-helixtrans-62.5-47.5178.8168.562.5-176.900111.3L120 R121 H123 V124 F148 H171 A172 S173L120-E126 HydrophobicContact CB-CB 4.39Å; L120-E126 HydrophobicContact CB-CG 3.87Å; L120-E126 WeakPolarHBondContact O-CB 3.29Å; R121-E126 HydrophobicContact CG-CG 4.22Å; H123-E126 WeakPolarHBondContact O-CB 3.17Å; H123-E126 PolarHBondContact O-N 2.99Å; H123-E126 VanDerWaalsContact O-N 3.12Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 2.9Å; E126-F148 HydrophobicContact CB-CE1 4.12Å; E126-F148 HydrophobicContact CB-CZ 4.26Å; E126-H171 HydrophobicContact CG-CB 4.42Å; E126-H171 CarbonylContact O-C 3.54Å; E126-H171 VanDerWaalsContact O-CA 3.22Å; E126-H171 WeakPolarHBondContact O-CA 3.33Å; E126-H171 WeakPolarHBondContact O-CB 3.37Å; E126-H171 VanDerWaalsContact OE1-CB 3.31Å; E126-H171 WeakPolarHBondContact OE1-CB 3.15Å; E126-H171 IonicContact OE1-CG 2.8Å; E126-H171 IonicContact OE1-ND1 3.79Å; E126-A172 PolarHBondContact O-N 2.83Å; E126-S173 VanDerWaalsContact CD-OG 3.28Å; E126-S173 PolarHBondContact OE1-OG 2.77Å; E126-S173 WeakPolarHBondContact OE2-CB 3.48Å; E126-S173 PolarHBondContact OE2-N 2.92Å; E126-S173 PolarHBondContact OE2-OG 2.89Å
127E97.8Very high96.6Very high48 Ų4850.4 Ų50.422%0.22428%0.276CS..Hα-helixtrans-100-7.7-177.8-54.8-165.3112.700112.8R121 V124 K129 H171R121-E127 HydrophobicContact CG-CG 4.1Å; R121-E127 IonicContact CZ-OE1 2.67Å; R121-E127 VanDerWaalsContact CZ-OE1 3.24Å; R121-E127 VanDerWaalsContact NE-CD 3.26Å; R121-E127 IonicContact NE-OE1 3.36Å; R121-E127 PolarHBondContact NE-OE1 3.44Å; R121-E127 IonicContact NE-OE2 2.74Å; R121-E127 IonicContact NH2-OE1 2.7Å; R121-E127 PolarHBondContact NH2-OE1 3.07Å; V124-E127 PolarHBondContact O-N 3.42Å; E127-K129 PolarHBondContact O-N 3.33Å; E127-K129 VanDerWaalsContact O-N 3.16Å; E127-H171 IonicContact OE1-CE1 3.07Å; E127-H171 PolarHBondContact OE1-CE1 3.44Å; E127-H171 IonicContact OE1-NE2 2.67Å
128G97.8Very high96.5Very high15 Ų1552.3 Ų52.316%0.15529%0.288CS..SBendtrans71.1-4.9-175.100000114.5V124 K139 A140V124-G128 CarbonylContact O-C 3.59Å; V124-G128 VanDerWaalsContact O-CA 3.3Å; V124-G128 WeakPolarHBondContact O-CA 3.34Å; V124-G128 PolarHBondContact O-N 3.1Å; G128-K139 WeakPolarHBondContact O-CA 3.45Å; G128-K139 WeakPolarHBondContact O-CG 3.33Å; G128-A140 PolarHBondContact O-N 3.33Å
129K96.9Very high96.4Very high141 Ų14160 Ų6061%0.61332%0.321SS*.EExtended strand (participates in β ladder)trans-150.1154.3-177.865-178.9178.7-179.90110.6V124 E127 T138V124-K129 PolarHBondContact O-N 2.84Å; E127-K129 PolarHBondContact O-N 3.33Å; E127-K129 VanDerWaalsContact O-N 3.16Å; K129-T138 CarbonylContact C-O 3.19Å; K129-T138 VanDerWaalsContact CA-O 3.29Å; K129-T138 WeakPolarHBondContact CA-O 3.31Å
130G96Very high96.3Very high9 Ų960.3 Ų60.39%0.09332%0.323CS..EExtended strand (participates in β ladder)trans-159.9-167177.400000111.4D67 K137 T138D67-G130 VanDerWaalsContact O-CA 3.28Å; D67-G130 WeakPolarHBondContact O-CA 3.21Å; G130-K137 WeakPolarHBondContact O-CA 3.33Å; G130-T138 WeakPolarHBondContact CA-OG1 3.15Å; G130-T138 PolarHBondContact N-O 2.82Å; G130-T138 PolarHBondContact N-OG1 2.96Å; G130-T138 PolarHBondContact O-N 2.8Å; G130-T138 PolarHBondContact O-OG1 2.99Å
131V95.7Very high96.3Very high53 Ų5363.9 Ų63.932%0.32135%0.345SS..EExtended strand (participates in β ladder)trans-138.4123.7176.7-175.50000107.3D67 H69 E136 T138D67-V131 HydrophobicContact CB-CB 4.05Å; D67-V131 PolarHBondContact O-N 3.24Å; D67-V131 VanDerWaalsContact O-N 3.09Å; H69-V131 PolarHBondContact CD2-O 2.86Å; H69-V131 VanDerWaalsContact CD2-O 3.23Å; H69-V131 PolarHBondContact NE2-O 2.83Å; V131-E136 CarbonylContact C-O 3.45Å; V131-E136 VanDerWaalsContact CA-O 3.29Å; V131-E136 WeakPolarHBondContact CA-O 3.13Å; V131-T138 PolarHBondContact N-OG1 2.81Å
132S91.5Very high96.2Very high18 Ų1866.7 Ų66.713%0.12637%0.373CS..  trans-61.3160.9177.973.50000111.1H69 T134 G135 E136H69-S132 WeakPolarHBondContact NE2-CA 3.33Å; S132-T134 PolarHBondContact O-N 2.83Å; S132-T134 PolarHBondContact OG-N 2.88Å; S132-T134 PolarHBondContact OG-OG1 3.35Å; S132-G135 PolarHBondContact O-N 3.25Å; S132-G135 PolarHBondContact OG-N 2.9Å; S132-E136 PolarHBondContact N-O 3.2Å; S132-E136 WeakPolarHBondContact OG-CB 3.25Å; S132-E136 PolarHBondContact OG-N 3.32Å; S132-E136 PolarHBondContact OG-O 2.89Å
133P90.3Very high96.2Very high120 Ų12071.9 Ų71.978%0.77940%0.402SS*.THydrogen-bonded Turntrans-56.4-19.4170.7-26.536000114.2
134T92.8Very high96.2Very high115 Ų11574 Ų7471%0.70641%0.411SS*.THydrogen-bonded Turntrans-89.9-0.9175.656.90000113.8S132S132-T134 PolarHBondContact O-N 2.83Å; S132-T134 PolarHBondContact OG-N 2.88Å; S132-T134 PolarHBondContact OG-OG1 3.35Å
135G93.1Very high96.2Very high56 Ų5675.4 Ų75.458%0.57742%0.417SS*.SBendtrans91.25.9178.100000115.3S132S132-G135 PolarHBondContact O-N 3.25Å; S132-G135 PolarHBondContact OG-N 2.9Å
136E95.3Very high96.2Very high137 Ų13779.5 Ų79.564%0.6444%0.435SS*.PPolyproline II helixtrans-84.8139.3179.8-62.6-179.6169.300111.3V131 S132 T138V131-E136 CarbonylContact C-O 3.45Å; V131-E136 VanDerWaalsContact CA-O 3.29Å; V131-E136 WeakPolarHBondContact CA-O 3.13Å; S132-E136 PolarHBondContact N-O 3.2Å; S132-E136 WeakPolarHBondContact OG-CB 3.25Å; S132-E136 PolarHBondContact OG-N 3.32Å; S132-E136 PolarHBondContact OG-O 2.89Å; E136-T138 PolarHBondContact O-N 3.09Å
137K96.8Very high96.2Very high198 Ų19882 Ų8286%0.86146%0.456SS*.EExtended strand (participates in β ladder)trans-66.2123.7175.7-67.3-179.5-177.6173.60110.1G130G130-K137 WeakPolarHBondContact O-CA 3.33Å
138T94.8Very high96.2Very high39 Ų3980.2 Ų80.224%0.23945%0.447CS..EExtended strand (participates in β ladder)trans-100.7148.9172.256.70000109.8K129 G130 V131 E136K129-T138 CarbonylContact C-O 3.19Å; K129-T138 VanDerWaalsContact CA-O 3.29Å; K129-T138 WeakPolarHBondContact CA-O 3.31Å; G130-T138 WeakPolarHBondContact CA-OG1 3.15Å; G130-T138 PolarHBondContact N-O 2.82Å; G130-T138 PolarHBondContact N-OG1 2.96Å; G130-T138 PolarHBondContact O-N 2.8Å; G130-T138 PolarHBondContact O-OG1 2.99Å; V131-T138 PolarHBondContact N-OG1 2.81Å; E136-T138 PolarHBondContact O-N 3.09Å
139K97.1Very high96.3Very high177 Ų17780 Ų8077%0.7744%0.443SS*.EExtended strand (participates in β ladder)trans-142129179.1-169.9-179.6179.1-178.70109.3G128G128-K139 WeakPolarHBondContact O-CA 3.45Å; G128-K139 WeakPolarHBondContact O-CG 3.33Å
140A97.4Very high96.3Very high6 Ų677.7 Ų77.75%0.0544%0.435CS..  trans-77.5142.5173.800000110.2V124 E125 G128 Q144 I145V124-A140 HydrophobicContact CG1-CB 4.21Å; E125-A140 HydrophobicContact CG-CB 4.16Å; G128-A140 PolarHBondContact O-N 3.33Å; A140-Q144 HydrophobicContact CB-CB 4.32Å; A140-I145 HydrophobicContact CB-CD1 4.2Å; A140-I145 HydrophobicContact CB-CG1 3.77Å
141T97.9Very high96.4Very high75 Ų7578 Ų7846%0.4644%0.436SS..  trans-72.8160.2170.170.80000110.5D143 Q144 I145T141-D143 PolarHBondContact O-N 3.4Å; T141-Q144 PolarHBondContact O-N 3.37Å; T141-Q144 VanDerWaalsContact O-N 3.17Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.42Å; T141-Q144 PolarHBondContact OG1-N 2.88Å; T141-Q144 PolarHBondContact OG1-OE1 3.22Å; T141-I145 WeakPolarHBondContact O-CG1 3.12Å; T141-I145 PolarHBondContact O-N 3.42Å
142A97.7Very high96.6Very high80 Ų8075.5 Ų75.566%0.66142%0.421SS*.Hα-helixtrans-57.7-36.6175.800000112.2I145 K146A142-I145 PolarHBondContact O-N 3.38Å; A142-K146 WeakPolarHBondContact O-CB 3.02Å; A142-K146 PolarHBondContact O-N 2.71Å
143D98.3Very high96.9Very high124 Ų12475.8 Ų75.866%0.66342%0.421SS*.Hα-helixtrans-68.5-37.5177.7-68.1-27.9000112.4T141 K146 A147T141-D143 PolarHBondContact O-N 3.4Å; D143-K146 PolarHBondContact O-N 2.91Å; D143-A147 WeakPolarHBondContact O-CB 3.36Å; D143-A147 PolarHBondContact O-N 2.91Å
144Q98.4Very high97.3Very high83 Ų8375.9 Ų75.939%0.38841%0.41SS..Hα-helixtrans-64.2-47174.1-73173.4-49.700111.3E125 A140 T141 K146 A147 F148E125-Q144 HydrophobicContact CG-CB 3.81Å; A140-Q144 HydrophobicContact CB-CB 4.32Å; T141-Q144 PolarHBondContact O-N 3.37Å; T141-Q144 VanDerWaalsContact O-N 3.17Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.42Å; T141-Q144 PolarHBondContact OG1-N 2.88Å; T141-Q144 PolarHBondContact OG1-OE1 3.22Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.39Å; Q144-A147 PolarHBondContact O-N 2.89Å; Q144-F148 WeakPolarHBondContact O-CB 3.19Å; Q144-F148 PolarHBondContact O-N 2.96Å
145I98.3Very high97.5Very high53 Ų5370.4 Ų70.427%0.27238%0.376SS..Hα-helixtrans-60.2-41.1176.8-62.7169.2000110.8A140 T141 A142 S149 A172A140-I145 HydrophobicContact CB-CD1 4.2Å; A140-I145 HydrophobicContact CB-CG1 3.77Å; T141-I145 WeakPolarHBondContact O-CG1 3.12Å; T141-I145 PolarHBondContact O-N 3.42Å; A142-I145 PolarHBondContact O-N 3.38Å; I145-S149 WeakPolarHBondContact O-CB 3.15Å; I145-S149 PolarHBondContact O-N 3.06Å; I145-S149 PolarHBondContact O-OG 2.86Å; I145-A172 HydrophobicContact CG2-CB 4.2Å
146K98.1Very high97.8Very high121 Ų12167.9 Ų67.953%0.52635%0.349SS..Hα-helixtrans-63.3-50.5176-177.6-179.9172.4-173.90111.4A142 D143 Q144 F148 S149 E150A142-K146 WeakPolarHBondContact O-CB 3.02Å; A142-K146 PolarHBondContact O-N 2.71Å; D143-K146 PolarHBondContact O-N 2.91Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.39Å; K146-F148 VanDerWaalsContact C-N 3.31Å; K146-F148 PolarHBondContact O-N 3.24Å; K146-S149 WeakPolarHBondContact O-CB 3.31Å; K146-S149 PolarHBondContact O-N 3.31Å; K146-E150 WeakPolarHBondContact CE-OE1 3.37Å; K146-E150 HydrophobicContact CG-CG 4.48Å; K146-E150 WeakPolarHBondContact O-CG 3.42Å; K146-E150 PolarHBondContact O-N 2.94Å
147A98.2Very high97.9Very high54 Ų5463.9 Ų63.945%0.44633%0.333SS..Hα-helixtrans-60.5-39.4178.800000112.4D143 Q144 E150 S151D143-A147 WeakPolarHBondContact O-CB 3.36Å; D143-A147 PolarHBondContact O-N 2.91Å; Q144-A147 PolarHBondContact O-N 2.89Å; A147-E150 PolarHBondContact O-N 3.3Å; A147-S151 PolarHBondContact O-N 3.1Å
148F98.6Very high98Very high11 Ų1154.5 Ų54.55%0.04829%0.292CS..Hα-helixtrans-61.5-48.9173.3-179.6-98.4000111.6V98 L120 H123 E125 E126 Q144 K146 E150 S151 L152 A172V98-F148 HydrophobicContact CB-CD2 4.42Å; V98-F148 HydrophobicContact CB-CE2 4.44Å; V98-F148 HydrophobicContact CG1-CD2 3.61Å; V98-F148 HydrophobicContact CG1-CE2 3.52Å; V98-F148 HydrophobicContact CG1-CG 4.4Å; V98-F148 HydrophobicContact CG1-CZ 4.29Å; V98-F148 HydrophobicContact CG2-CD2 4.07Å; V98-F148 HydrophobicContact CG2-CE2 4.03Å; L120-F148 HydrophobicContact CD2-CE1 4.5Å; L120-F148 HydrophobicContact CD2-CZ 4.01Å; H123-F148 HydrophobicContact CB-CD2 4Å; H123-F148 HydrophobicContact CB-CE2 3.47Å; H123-F148 VanDerWaalsContact CB-CE2 3.47Å; H123-F148 HydrophobicContact CB-CZ 4.1Å; H123-F148 AromaticContact CD2-CE2 3.94Å; H123-F148 AromaticContact CG-CE2 3.61Å; E125-F148 HydrophobicContact CB-CB 3.54Å; E125-F148 HydrophobicContact CB-CD1 4.05Å; E125-F148 HydrophobicContact CB-CD2 4Å; E125-F148 HydrophobicContact CB-CG 3.6Å; E125-F148 HydrophobicContact CG-CB 3.98Å; E125-F148 HydrophobicContact CG-CG 4.42Å; E126-F148 HydrophobicContact CB-CE1 4.12Å; E126-F148 HydrophobicContact CB-CZ 4.26Å; Q144-F148 WeakPolarHBondContact O-CB 3.19Å; Q144-F148 PolarHBondContact O-N 2.96Å; K146-F148 VanDerWaalsContact C-N 3.31Å; K146-F148 PolarHBondContact O-N 3.24Å; F148-E150 VanDerWaalsContact C-N 3.34Å; F148-E150 PolarHBondContact O-N 3.44Å; F148-S151 WeakPolarHBondContact O-CB 3.41Å; F148-S151 PolarHBondContact O-N 2.99Å; F148-S151 VanDerWaalsContact O-N 3.14Å; F148-L152 HydrophobicContact CD1-CD1 4.02Å; F148-L152 HydrophobicContact CE1-CD1 3.52Å; F148-L152 HydrophobicContact CE1-CG 4.23Å; F148-L152 HydrophobicContact CZ-CD1 4.05Å; F148-L152 HydrophobicContact CZ-CG 4.45Å; F148-L152 PolarHBondContact O-N 3.49Å; F148-A172 HydrophobicContact CD1-CB 3.59Å; F148-A172 HydrophobicContact CE1-CB 3.88Å
149S98.4Very high98.2Very high10 Ų1052.8 Ų52.87%0.0728%0.281CS..Hα-helixtrans-61.8-39.1177.4-57.90000112.7I145 K146 L152 T153I145-S149 WeakPolarHBondContact O-CB 3.15Å; I145-S149 PolarHBondContact O-N 3.06Å; I145-S149 PolarHBondContact O-OG 2.86Å; K146-S149 WeakPolarHBondContact O-CB 3.31Å; K146-S149 PolarHBondContact O-N 3.31Å; S149-L152 PolarHBondContact O-N 2.97Å; S149-T153 WeakPolarHBondContact O-CB 3.42Å; S149-T153 PolarHBondContact O-N 2.96Å; S149-T153 PolarHBondContact O-OG1 2.9Å
150E98.2Very high98.3Very high92 Ų9244.4 Ų44.443%0.4325%0.245SC..Hα-helixtrans-65.4-38.5174.3-74.9175.8178.500111.7K146 A147 F148 T153 K154K146-E150 WeakPolarHBondContact CE-OE1 3.37Å; K146-E150 HydrophobicContact CG-CG 4.48Å; K146-E150 WeakPolarHBondContact O-CG 3.42Å; K146-E150 PolarHBondContact O-N 2.94Å; A147-E150 PolarHBondContact O-N 3.3Å; F148-E150 VanDerWaalsContact C-N 3.34Å; F148-E150 PolarHBondContact O-N 3.44Å; E150-T153 PolarHBondContact O-N 3.42Å; E150-K154 WeakPolarHBondContact O-CG 3.45Å; E150-K154 PolarHBondContact O-N 3.38Å
151S98.3Very high98.3Very high17 Ų1744.1 Ų44.112%0.11924%0.242CC..Hα-helixtrans-63.5-43.7174.4-170.50000111.6V98 G99 A147 F148 T153 K154V98-S151 WeakPolarHBondContact CB-OG 3.47Å; G99-S151 PolarHBondContact N-OG 3.21Å; A147-S151 PolarHBondContact O-N 3.1Å; F148-S151 WeakPolarHBondContact O-CB 3.41Å; F148-S151 PolarHBondContact O-N 2.99Å; F148-S151 VanDerWaalsContact O-N 3.14Å; S151-T153 VanDerWaalsContact C-N 3.35Å; S151-K154 PolarHBondContact O-N 2.85Å
152L98.7Very high98.3Very high0 Ų040.5 Ų40.50%022%0.22CC..Hα-helixtrans-63.1-42.1174.7-66.3178.8000111.5L19 M60 C97 V98 L117 L120 F148 S149 K154 L155L19-L152 WeakPolarHBondContact CD2-O 3.47Å; M60-L152 HydrophobicContact SD-CD1 4.17Å; M60-L152 HydrophobicContact SD-CD2 4.17Å; C97-L152 WeakPolarHBondContact O-CD2 3.4Å; V98-L152 HydrophobicContact CG1-CD2 3.86Å; V98-L152 HydrophobicContact CG1-CG 4.12Å; L117-L152 HydrophobicContact CD1-CD2 4.5Å; L120-L152 HydrophobicContact CD2-CD1 4.1Å; L120-L152 HydrophobicContact CD2-CD2 4.04Å; F148-L152 HydrophobicContact CD1-CD1 4.02Å; F148-L152 HydrophobicContact CE1-CD1 3.52Å; F148-L152 HydrophobicContact CE1-CG 4.23Å; F148-L152 HydrophobicContact CZ-CD1 4.05Å; F148-L152 HydrophobicContact CZ-CG 4.45Å; F148-L152 PolarHBondContact O-N 3.49Å; S149-L152 PolarHBondContact O-N 2.97Å; L152-K154 PolarHBondContact O-N 3.24Å; L152-L155 HydrophobicContact CD2-CD1 4.23Å; L152-L155 VanDerWaalsContact O-CB 3.29Å; L152-L155 WeakPolarHBondContact O-CB 3.26Å; L152-L155 WeakPolarHBondContact O-CG 3.26Å; L152-L155 PolarHBondContact O-N 3.23Å
153T98.3Very high98.3Very high23 Ų2336.7 Ų36.714%0.14119%0.189CC..Hα-helixtrans-56.7-35.8179.7-60.50000112S149 E150 S151 L155 C177 Q178 L179S149-T153 WeakPolarHBondContact O-CB 3.42Å; S149-T153 PolarHBondContact O-N 2.96Å; S149-T153 PolarHBondContact O-OG1 2.9Å; E150-T153 PolarHBondContact O-N 3.42Å; S151-T153 VanDerWaalsContact C-N 3.35Å; T153-L155 PolarHBondContact O-N 3.31Å; T153-L155 VanDerWaalsContact O-N 3.16Å; T153-C177 WeakPolarHBondContact OG1-CA 3Å; T153-Q178 HydrophobicContact CG2-CB 4.38Å; T153-Q178 WeakPolarHBondContact CG2-O 3.29Å; T153-Q178 PolarHBondContact OG1-N 2.76Å; T153-Q178 VanDerWaalsContact OG1-N 3.08Å; T153-L179 HydrophobicContact CG2-CD2 3.84Å; T153-L179 HydrophobicContact CG2-CG 4.06Å
154K98.2Very high98.2Very high123 Ų12330.8 Ų30.854%0.53516%0.157SC..THydrogen-bonded Turntrans-64.8-17179-69.7167.5-171.6174.70114.2R17 V103 E150 S151 L152 G156R17-K154 PolarHBondContact NH1-O 3Å; R17-K154 PolarHBondContact NH2-O 3.21Å; V103-K154 HydrophobicContact CG2-CB 4.34Å; V103-K154 HydrophobicContact CG2-CD 4.45Å; E150-K154 WeakPolarHBondContact O-CG 3.45Å; E150-K154 PolarHBondContact O-N 3.38Å; S151-K154 PolarHBondContact O-N 2.85Å; L152-K154 PolarHBondContact O-N 3.24Å; K154-G156 VanDerWaalsContact C-N 3.33Å; K154-G156 PolarHBondContact O-N 3.04Å
155L98.5Very high97.9Very high0 Ų027.4 Ų27.40%014%0.144CC..THydrogen-bonded Turntrans-80.9-11.4-172.8-52.9-177.2000113.7L19 V58 V102 V103 C106 L117 L152 T153L19-L155 HydrophobicContact CD1-CB 4.3Å; V58-L155 HydrophobicContact CG1-CB 4.38Å; V58-L155 HydrophobicContact CG1-CD1 4.4Å; V102-L155 HydrophobicContact CG1-CD1 4Å; V102-L155 HydrophobicContact CG1-CD2 3.85Å; V103-L155 HydrophobicContact CG2-CD2 4.02Å; C106-L155 HydrophobicContact CB-CD2 4.12Å; L117-L155 HydrophobicContact CD1-CD1 3.54Å; L152-L155 HydrophobicContact CD2-CD1 4.23Å; L152-L155 VanDerWaalsContact O-CB 3.29Å; L152-L155 WeakPolarHBondContact O-CB 3.26Å; L152-L155 WeakPolarHBondContact O-CG 3.26Å; L152-L155 PolarHBondContact O-N 3.23Å; T153-L155 PolarHBondContact O-N 3.31Å; T153-L155 VanDerWaalsContact O-N 3.16Å
156G98.1Very high97.7Very high2 Ų225.1 Ų25.12%0.02113%0.133CC..  trans-143.1169.3-178.700000113.2R17 K154 L179R17-G156 PolarHBondContact NH2-O 3.46Å; R17-G156 CarbonylContact O-C 3.55Å; R17-G156 WeakPolarHBondContact O-CA 3.43Å; K154-G156 VanDerWaalsContact C-N 3.33Å; K154-G156 PolarHBondContact O-N 3.04Å; G156-L179 VanDerWaalsContact O-CD2 3.29Å; G156-L179 WeakPolarHBondContact O-CD2 3.29Å
157D98.4Very high97.6Very high54 Ų5419.4 Ų19.429%0.28911%0.108SC..SBendtrans-106.4-24.6168.6-46.2-44.8000110.5K16 R17K16-D157 HydrophobicContact CB-CB 4.34Å; K16-D157 HydrophobicContact CD-CB 4.1Å; R17-D157 IonicContact CZ-OD1 3.12Å; R17-D157 PolarHBondContact N-OD2 2.91Å; R17-D157 IonicContact NE-OD1 2.69Å; R17-D157 PolarHBondContact NE-OD1 3.05Å; R17-D157 VanDerWaalsContact NE-OD1 3.12Å; R17-D157 IonicContact NE-OD2 3.83Å; R17-D157 IonicContact NH2-OD1 3.53Å; R17-D157 PolarHBondContact NH2-OD1 3.35Å; R17-D157 PolarHBondContact O-N 3.48Å
158V98.5Very high97.3Very high1 Ų118 Ų181%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-127136.4174177.60000108.9V11 L13 K16 R17 L19 V160 Q181V11-V158 HydrophobicContact CG1-CG1 3.89Å; V11-V158 HydrophobicContact CG1-CG2 3.95Å; L13-V158 HydrophobicContact CD2-CG1 4.23Å; L13-V158 HydrophobicContact CD2-CG2 4.41Å; K16-V158 HydrophobicContact CB-CG2 4.35Å; K16-V158 HydrophobicContact CG-CG2 4.38Å; R17-V158 PolarHBondContact O-N 2.88Å; L19-V158 PolarHBondContact N-O 3.32Å; V158-V160 HydrophobicContact CG1-CG2 4.18Å; V158-Q181 HydrophobicContact CG1-CB 4.44Å
159Y98.8Very high97.2Very high3 Ų323.1 Ų23.11%0.01211%0.111CC..EExtended strand (participates in β ladder)trans-100.4133.4170.7173.8-101.6000110.1L19 R21 M60 N161 S173 C177 Q181 K182 A183 L412L19-Y159 HydrophobicContact CD2-CD2 4.26Å; L19-Y159 HydrophobicContact CG-CD2 4.43Å; L19-Y159 CarbonylContact O-C 3.5Å; L19-Y159 WeakPolarHBondContact O-CA 3.41Å; R21-Y159 HydrophobicContact CB-CE2 4.19Å; M60-Y159 HydrophobicContact CE-CD2 4.22Å; M60-Y159 HydrophobicContact CE-CE2 3.53Å; Y159-N161 HydrophobicContact CE1-CB 3.73Å; Y159-N161 PolarHBondContact OH-ND2 3.35Å; Y159-S173 PolarHBondContact OH-O 2.94Å; Y159-C177 HydrophobicContact CD2-CB 3.72Å; Y159-C177 HydrophobicContact CE2-CB 3.99Å; Y159-C177 HydrophobicContact CG-CB 4.16Å; Y159-Q181 PolarHBondContact N-O 2.83Å; Y159-K182 HydrophobicContact CD1-CB 3.88Å; Y159-K182 HydrophobicContact CD1-CG 3.93Å; Y159-K182 HydrophobicContact CG-CG 4.39Å; Y159-K182 CarbonylContact O-C 3.55Å; Y159-K182 WeakPolarHBondContact O-CA 3.21Å; Y159-A183 PolarHBondContact O-N 3.43Å; Y159-L412 HydrophobicContact CD1-CD2 4.19Å; Y159-L412 HydrophobicContact CE1-CD2 3.88Å
160V98.8Very high97.1Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-125125.2173.2-179.70000108.8I8 V18 L19 I20 R21 T45 V158 A183I8-V160 HydrophobicContact CB-CG1 4.43Å; I8-V160 HydrophobicContact CD1-CG1 4.22Å; I8-V160 HydrophobicContact CD1-CG2 3.98Å; I8-V160 HydrophobicContact CG1-CG2 4.15Å; V18-V160 HydrophobicContact CG1-CB 4.49Å; V18-V160 HydrophobicContact CG1-CG2 3.66Å; L19-V160 PolarHBondContact O-N 3.44Å; I20-V160 CarbonylContact C-O 3.54Å; I20-V160 VanDerWaalsContact CA-O 3.29Å; I20-V160 WeakPolarHBondContact CA-O 3.48Å; I20-V160 HydrophobicContact CB-CB 4.48Å; I20-V160 HydrophobicContact CG1-CB 4.16Å; I20-V160 HydrophobicContact CG2-CB 4.19Å; I20-V160 HydrophobicContact CG2-CG1 4.18Å; R21-V160 PolarHBondContact N-O 2.98Å; T45-V160 HydrophobicContact CG2-CG1 3.98Å; V158-V160 HydrophobicContact CG1-CG2 4.18Å; V160-A183 CarbonylContact C-O 3.06Å; V160-A183 VanDerWaalsContact CA-O 3.29Å; V160-A183 WeakPolarHBondContact CA-O 3.29Å
161N98.6Very high97Very high0 Ų022.4 Ų22.40%012%0.119CC..EExtended strand (participates in β ladder)trans-101.4114.2171-165.6-18.3000110.4Y159 A163 M174 A183 C184 G185 M188 G408 L412Y159-N161 HydrophobicContact CE1-CB 3.73Å; Y159-N161 PolarHBondContact OH-ND2 3.35Å; N161-A163 PolarHBondContact OD1-N 2.69Å; N161-M174 WeakPolarHBondContact ND2-CE 3.45Å; N161-A183 PolarHBondContact N-O 2.85Å; N161-C184 WeakPolarHBondContact O-CA 3.28Å; N161-G185 PolarHBondContact O-N 2.96Å; N161-M188 HydrophobicContact CB-CE 4.15Å; N161-M188 VanDerWaalsContact CG-CE 3.46Å; N161-M188 VanDerWaalsContact O-CB 3.26Å; N161-M188 WeakPolarHBondContact O-CB 3.5Å; N161-M188 VanDerWaalsContact OD1-CE 3.29Å; N161-M188 WeakPolarHBondContact OD1-CE 3.36Å; N161-G408 PolarHBondContact ND2-O 3.47Å; N161-L412 HydrophobicContact CB-CD1 4.37Å; N161-L412 HydrophobicContact CB-CD2 3.82Å
162D98Very high97.1Very high0 Ų021.8 Ų21.80%012%0.115CC..  trans-119.419.3176.1-147.327.2000112.1I20 R21 T45 G185 F186 L187 M188I20-D162 HydrophobicContact CG2-CB 4.27Å; R21-D162 CarbonylContact O-C 3.57Å; R21-D162 WeakPolarHBondContact O-CA 3.33Å; R21-D162 PolarHBondContact O-N 2.96Å; T45-D162 WeakPolarHBondContact CB-OD2 3.48Å; T45-D162 HydrophobicContact CG2-CB 4.45Å; T45-D162 PolarHBondContact OG1-OD2 2.95Å; D162-G185 WeakPolarHBondContact OD1-CA 3.25Å; D162-F186 PolarHBondContact OD1-N 3.34Å; D162-L187 WeakPolarHBondContact OD1-CA 3.27Å; D162-L187 VanDerWaalsContact OD1-CB 3.24Å; D162-L187 WeakPolarHBondContact OD1-CB 3.45Å; D162-L187 PolarHBondContact OD1-N 2.74Å; D162-M188 PolarHBondContact OD1-N 2.89Å
163A96.9Very high97Very high0 Ų021.8 Ų21.80%012%0.115CC..  trans-108.965.1-176.600000111.9R21 D23 N161 G165 T166 A167 M174R21-A163 HydrophobicContact CG-CB 3.93Å; R21-A163 PolarHBondContact O-N 2.82Å; D23-A163 HydrophobicContact CB-CB 4.03Å; N161-A163 PolarHBondContact OD1-N 2.69Å; A163-G165 PolarHBondContact O-N 2.89Å; A163-T166 WeakPolarHBondContact CB-OG1 3.04Å; A163-T166 PolarHBondContact O-N 3.21Å; A163-T166 VanDerWaalsContact O-N 3.12Å; A163-T166 PolarHBondContact O-OG1 2.92Å; A163-A167 PolarHBondContact O-N 3.38Å; A163-M174 HydrophobicContact CB-SD 4.48Å
164F95.2Very high97Very high0 Ų020.8 Ų20.80%011%0.108CC..G310 helixtrans-55.9-38.8-180-178.6-103.7000112.6T166 A167 L187 M188 E191 F195 A396 L400 L406F164-T166 PolarHBondContact O-N 2.89Å; F164-A167 HydrophobicContact CD2-CB 4.49Å; F164-A167 WeakPolarHBondContact O-CB 3.42Å; F164-A167 PolarHBondContact O-N 3.49Å; F164-L187 HydrophobicContact CB-CD2 3.66Å; F164-M188 HydrophobicContact CB-CE 4.45Å; F164-M188 HydrophobicContact CB-SD 3.95Å; F164-M188 HydrophobicContact CD2-SD 3.64Å; F164-M188 HydrophobicContact CG-SD 4.3Å; F164-E191 HydrophobicContact CB-CB 4.32Å; F164-E191 HydrophobicContact CB-CG 3.82Å; F164-E191 HydrophobicContact CD1-CB 3.97Å; F164-E191 HydrophobicContact CD1-CG 3.6Å; F164-E191 WeakPolarHBondContact CD1-OE1 3.41Å; F164-E191 HydrophobicContact CD2-CB 3.57Å; F164-E191 HydrophobicContact CD2-CG 3.98Å; F164-E191 HydrophobicContact CE1-CB 4.14Å; F164-E191 HydrophobicContact CE1-CG 4.13Å; F164-E191 WeakPolarHBondContact CE1-OE2 3.33Å; F164-E191 HydrophobicContact CE2-CB 3.76Å; F164-E191 HydrophobicContact CE2-CG 4.47Å; F164-E191 HydrophobicContact CG-CB 3.68Å; F164-E191 HydrophobicContact CG-CG 3.52Å; F164-E191 HydrophobicContact CZ-CB 4.05Å; F164-F195 HydrophobicContact CE1-CE2 4.13Å; F164-F195 HydrophobicContact CZ-CD2 4.06Å; F164-F195 AromaticContact CZ-CE2 3.75Å; F164-F195 HydrophobicContact CZ-CE2 3.75Å; F164-A396 HydrophobicContact CD1-CB 4.19Å; F164-A396 HydrophobicContact CE1-CB 3.9Å; F164-A396 HydrophobicContact CE2-CB 4.49Å; F164-A396 HydrophobicContact CZ-CB 4.06Å; F164-A396 WeakPolarHBondContact O-CB 3.36Å; F164-L400 HydrophobicContact CE2-CD2 4.4Å; F164-L400 HydrophobicContact CZ-CD2 4.31Å; F164-L406 HydrophobicContact CE2-CD1 3.82Å; F164-L406 HydrophobicContact CZ-CD1 4.3Å
165G92.9Very high97Very high11 Ų1117.3 Ų17.311%0.11310%0.098CC..G310 helixtrans-53.6-28178.200000115A163 H168A163-G165 PolarHBondContact O-N 2.89Å; G165-H168 PolarHBondContact O-CE1 3.41Å; G165-H168 PolarHBondContact O-ND1 2.86Å
166T93.9Very high96.9Very high6 Ų617.9 Ų17.94%0.03710%0.104CC..G310 helixtrans-105.93.2177.548.40000114.4H62 A163 F164 H168 R169 M174H62-T166 WeakPolarHBondContact CE1-CG2 3.39Å; A163-T166 WeakPolarHBondContact CB-OG1 3.04Å; A163-T166 PolarHBondContact O-N 3.21Å; A163-T166 VanDerWaalsContact O-N 3.12Å; A163-T166 PolarHBondContact O-OG1 2.92Å; F164-T166 PolarHBondContact O-N 2.89Å; T166-H168 PolarHBondContact O-N 3.45Å; T166-H168 VanDerWaalsContact O-N 3.15Å; T166-R169 WeakPolarHBondContact O-CB 3.3Å; T166-R169 PolarHBondContact O-N 3.15Å; T166-M174 PolarHBondContact OG1-SD 2.93Å
167A95.5Very high96.9Very high0 Ų018 Ų180%010%0.104CC..THydrogen-bonded Turntrans-60.8-26.4-174.300000114.9A163 F164 R169 M174 M188 A396 L406 P407 G408 V409A163-A167 PolarHBondContact O-N 3.38Å; F164-A167 HydrophobicContact CD2-CB 4.49Å; F164-A167 WeakPolarHBondContact O-CB 3.42Å; F164-A167 PolarHBondContact O-N 3.49Å; A167-R169 PolarHBondContact O-N 3.02Å; A167-M174 HydrophobicContact CB-CE 4.35Å; A167-M188 HydrophobicContact CB-CE 4.08Å; A167-M188 HydrophobicContact CB-SD 4.47Å; A167-A396 HydrophobicContact CB-CB 4.49Å; A167-L406 HydrophobicContact CB-CB 4.18Å; A167-L406 HydrophobicContact CB-CD1 4.01Å; A167-L406 CarbonylContact O-C 3.45Å; A167-P407 WeakPolarHBondContact O-CD 3.35Å; A167-G408 PolarHBondContact O-N 3.36Å; A167-V409 HydrophobicContact CB-CG2 4.11Å
168H93.6Very high96.8Very high26 Ų2621.5 Ų21.512%0.1212%0.118CC..THydrogen-bonded Turntrans-71.1-10.7174.164.4-70.6000113.8G165 T166 A396 E399 L406G165-H168 PolarHBondContact O-CE1 3.41Å; G165-H168 PolarHBondContact O-ND1 2.86Å; T166-H168 PolarHBondContact O-N 3.45Å; T166-H168 VanDerWaalsContact O-N 3.15Å; H168-A396 HydrophobicContact CB-CB 4.41Å; H168-E399 HydrophobicContact CB-CG 4.42Å; H168-E399 IonicContact CD2-OE1 2.8Å; H168-E399 PolarHBondContact CD2-OE1 3.02Å; H168-E399 IonicContact CG-OE1 3.53Å; H168-L406 HydrophobicContact CB-CD2 3.98Å
169R94.7Very high96.7Very high118 Ų11822.4 Ų22.445%0.44512%0.123SC..SBendtrans-99.6126.5-177.8-57.4-73.2172165.6-7.3110.4T166 A167 H171T166-R169 WeakPolarHBondContact O-CB 3.3Å; T166-R169 PolarHBondContact O-N 3.15Å; A167-R169 PolarHBondContact O-N 3.02Å; R169-H171 PolarHBondContact O-N 3.37Å
170A96.3Very high96.6Very high71 Ų7127.8 Ų27.859%0.58716%0.158SC*.  trans-79.745.8173.500000112.5P407A170-P407 HydrophobicContact CB-CB 3.83Å; A170-P407 HydrophobicContact CB-CG 4.06Å
171H98Very high96.5Very high16 Ų1631.1 Ų31.17%0.07417%0.174CC..  trans-75156.2179.4-66-178.9000111.8E126 E127 R169 S173 M174 V175E126-H171 HydrophobicContact CG-CB 4.42Å; E126-H171 CarbonylContact O-C 3.54Å; E126-H171 VanDerWaalsContact O-CA 3.22Å; E126-H171 WeakPolarHBondContact O-CA 3.33Å; E126-H171 WeakPolarHBondContact O-CB 3.37Å; E126-H171 VanDerWaalsContact OE1-CB 3.31Å; E126-H171 WeakPolarHBondContact OE1-CB 3.15Å; E126-H171 IonicContact OE1-CG 2.8Å; E126-H171 IonicContact OE1-ND1 3.79Å; E127-H171 IonicContact OE1-CE1 3.07Å; E127-H171 PolarHBondContact OE1-CE1 3.44Å; E127-H171 IonicContact OE1-NE2 2.67Å; R169-H171 PolarHBondContact O-N 3.37Å; H171-S173 VanDerWaalsContact C-N 3.34Å; H171-S173 PolarHBondContact O-N 3.09Å; H171-M174 HydrophobicContact CB-CB 4.45Å; H171-M174 HydrophobicContact CB-CG 4.05Å; H171-M174 WeakPolarHBondContact O-CA 3.23Å; H171-M174 WeakPolarHBondContact O-CB 3.32Å; H171-M174 PolarHBondContact O-N 3.28Å; H171-V175 WeakPolarHBondContact O-CG2 3.46Å; H171-V175 PolarHBondContact O-N 3.37Å
172A98.4Very high96.5Very high4 Ų433.1 Ų33.13%0.03318%0.183CC..Hα-helixtrans-55.8-44.8-176.400000112.8E126 I145 F148 M174 G176E126-A172 PolarHBondContact O-N 2.83Å; I145-A172 HydrophobicContact CG2-CB 4.2Å; F148-A172 HydrophobicContact CD1-CB 3.59Å; F148-A172 HydrophobicContact CE1-CB 3.88Å; A172-M174 PolarHBondContact O-N 3.06Å; A172-G176 WeakPolarHBondContact O-CA 3.43Å; A172-G176 PolarHBondContact O-N 3.44Å
173S98.4Very high96.5Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-66.3-17.9176.171.50000114.9R21 M60 L120 E126 Y159 H171R21-S173 PolarHBondContact NE-OG 3.1Å; M60-S173 WeakPolarHBondContact CE-O 3.27Å; L120-S173 WeakPolarHBondContact CD1-OG 3.4Å; E126-S173 VanDerWaalsContact CD-OG 3.28Å; E126-S173 PolarHBondContact OE1-OG 2.77Å; E126-S173 WeakPolarHBondContact OE2-CB 3.48Å; E126-S173 PolarHBondContact OE2-N 2.92Å; E126-S173 PolarHBondContact OE2-OG 2.89Å; Y159-S173 PolarHBondContact OH-O 2.94Å; H171-S173 VanDerWaalsContact C-N 3.34Å; H171-S173 PolarHBondContact O-N 3.09Å
174M98Very high96.5Very high1 Ų133.1 Ų33.11%0.00518%0.183CC..Hα-helixtrans-92.8-33.7-177.7-62.5-61.3-65.500112.6R21 N161 A163 T166 A167 H171 A172R21-M174 HydrophobicContact CG-SD 3.66Å; N161-M174 WeakPolarHBondContact ND2-CE 3.45Å; A163-M174 HydrophobicContact CB-SD 4.48Å; T166-M174 PolarHBondContact OG1-SD 2.93Å; A167-M174 HydrophobicContact CB-CE 4.35Å; H171-M174 HydrophobicContact CB-CB 4.45Å; H171-M174 HydrophobicContact CB-CG 4.05Å; H171-M174 WeakPolarHBondContact O-CA 3.23Å; H171-M174 WeakPolarHBondContact O-CB 3.32Å; H171-M174 PolarHBondContact O-N 3.28Å; A172-M174 PolarHBondContact O-N 3.06Å
175V97.6Very high96.7Very high51 Ų5133.1 Ų33.131%0.30918%0.183SC..Hα-helixtrans-127.6-16.8-171.9-52.20000114.4H171 P407 A411H171-V175 WeakPolarHBondContact O-CG2 3.46Å; H171-V175 PolarHBondContact O-N 3.37Å; V175-P407 HydrophobicContact CG1-CB 3.92Å; V175-A411 HydrophobicContact CB-CB 4.12Å; V175-A411 HydrophobicContact CG1-CB 4.14Å
176G97.2Very high96.9Very high12 Ų1235.7 Ų35.712%0.12419%0.191CC..THydrogen-bonded Turntrans-89.3-20.1-169.300000115.1A172 Q178A172-G176 WeakPolarHBondContact O-CA 3.43Å; A172-G176 PolarHBondContact O-N 3.44Å; G176-Q178 WeakPolarHBondContact O-CG 3.48Å; G176-Q178 PolarHBondContact O-N 3.48Å; G176-Q178 PolarHBondContact O-NE2 3.12Å; G176-Q178 VanDerWaalsContact O-NE2 3.15Å
177C97.2Very high97Very high3 Ų336.6 Ų36.62%0.0220%0.195CC..  trans-67.1118.5-178.9-68.30000111.4T153 Y159 K182T153-C177 WeakPolarHBondContact OG1-CA 3Å; Y159-C177 HydrophobicContact CD2-CB 3.72Å; Y159-C177 HydrophobicContact CE2-CB 3.99Å; Y159-C177 HydrophobicContact CG-CB 4.16Å; C177-K182 WeakPolarHBondContact O-CD 3.41Å
178Q96.2Very high97Very high129 Ų12936.6 Ų36.660%0.60320%0.195SC*.  trans-104.268.3-177.2-58.6-52.6-43.400111.4T153 G176T153-Q178 HydrophobicContact CG2-CB 4.38Å; T153-Q178 WeakPolarHBondContact CG2-O 3.29Å; T153-Q178 PolarHBondContact OG1-N 2.76Å; T153-Q178 VanDerWaalsContact OG1-N 3.08Å; G176-Q178 WeakPolarHBondContact O-CG 3.48Å; G176-Q178 PolarHBondContact O-N 3.48Å; G176-Q178 PolarHBondContact O-NE2 3.12Å; G176-Q178 VanDerWaalsContact O-NE2 3.15Å
179L97.5Very high97.1Very high20 Ų2037.5 Ų37.511%0.10520%0.201CC..  trans-103150.8172.6-68.4176.4000111.2T153 G156 Q181T153-L179 HydrophobicContact CG2-CD2 3.84Å; T153-L179 HydrophobicContact CG2-CG 4.06Å; G156-L179 VanDerWaalsContact O-CD2 3.29Å; G156-L179 WeakPolarHBondContact O-CD2 3.29Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.39Å
180P95Very high97.1Very high115 Ų11537.2 Ų37.275%0.74720%0.203SC*.SBendtrans-58.8-37.5-175.8-25.934.9000113.8
181Q97.5Very high97Very high70 Ų7034 Ų3433%0.32718%0.176SC..  trans-115.8119.5177.1-66.4177.7-73.800109.3L6 V11 V158 Y159 L179L6-Q181 HydrophobicContact CD2-CB 4.26Å; L6-Q181 HydrophobicContact CD2-CG 4.49Å; V11-Q181 HydrophobicContact CG1-CB 4.42Å; V158-Q181 HydrophobicContact CG1-CB 4.44Å; Y159-Q181 PolarHBondContact N-O 2.83Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.39Å
182K98.2Very high96.8Very high43 Ų4333.3 Ų33.319%0.18717%0.173CC..EExtended strand (participates in β ladder)trans-121.694.6178.6-66175.1-70.1168.80108.2Y159 C177 A411 L412 T413Y159-K182 HydrophobicContact CD1-CB 3.88Å; Y159-K182 HydrophobicContact CD1-CG 3.93Å; Y159-K182 HydrophobicContact CG-CG 4.39Å; Y159-K182 CarbonylContact O-C 3.55Å; Y159-K182 WeakPolarHBondContact O-CA 3.21Å; C177-K182 WeakPolarHBondContact O-CD 3.41Å; K182-A411 WeakPolarHBondContact CD-O 3.31Å; K182-A411 WeakPolarHBondContact CE-O 3.42Å; K182-A411 PolarHBondContact NZ-O 3.04Å; K182-L412 HydrophobicContact CB-CD2 4.14Å; K182-T413 PolarHBondContact N-OG1 3.34Å; K182-T413 PolarHBondContact O-N 3.32Å; K182-T413 PolarHBondContact O-OG1 3.23Å
183A98.2Very high96.6Very high0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-101.6160.7-172.800000112.5L6 V11 Y159 V160 N161 L412L6-A183 HydrophobicContact CB-CB 4.5Å; L6-A183 HydrophobicContact CD2-CB 4.28Å; L6-A183 HydrophobicContact CG-CB 4.12Å; L6-A183 CarbonylContact O-C 3.54Å; L6-A183 WeakPolarHBondContact O-CA 3.43Å; L6-A183 VanDerWaalsContact O-CB 3.24Å; L6-A183 WeakPolarHBondContact O-CB 3.49Å; V11-A183 HydrophobicContact CG2-CB 3.93Å; Y159-A183 PolarHBondContact O-N 3.43Å; V160-A183 CarbonylContact C-O 3.06Å; V160-A183 VanDerWaalsContact CA-O 3.29Å; V160-A183 WeakPolarHBondContact CA-O 3.29Å; N161-A183 PolarHBondContact N-O 2.85Å; A183-L412 WeakPolarHBondContact O-CD2 3.34Å
184C97.7Very high96.3Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-81.9142.5162.952.70000110.4L6 I8 N161 M188 N189 L412L6-C184 PolarHBondContact O-N 3.34Å; L6-C184 PolarHBondContact O-SG 3.37Å; I8-C184 PolarHBondContact N-O 2.76Å; N161-C184 WeakPolarHBondContact O-CA 3.28Å; C184-M188 HydrophobicContact CB-CB 3.9Å; C184-M188 HydrophobicContact CB-CG 3.59Å; C184-N189 HydrophobicContact CB-CB 4.33Å; C184-L412 HydrophobicContact CB-CD1 3.9Å
185G98.4Very high96.1Very high0 Ų038.2 Ų38.20%020%0.197CC..  trans-76.2178.5163.100000111.1N161 D162 L187 M188 N189N161-G185 PolarHBondContact O-N 2.96Å; D162-G185 WeakPolarHBondContact OD1-CA 3.25Å; G185-L187 PolarHBondContact O-N 2.91Å; G185-M188 PolarHBondContact O-N 2.76Å; G185-N189 WeakPolarHBondContact O-CB 3.27Å; G185-N189 PolarHBondContact O-N 3.14Å
186F97.7Very high95.7Very high65 Ų6536.7 Ų36.729%0.28519%0.19SC..Hα-helixtrans-67.7-33.9-174.7-66-47.3000114.4I8 P44 T45 Y48 D162 K190I8-F186 HydrophobicContact CG2-CD1 4.1Å; I8-F186 HydrophobicContact CG2-CE1 3.82Å; I8-F186 HydrophobicContact CG2-CE2 4.48Å; I8-F186 HydrophobicContact CG2-CZ 4.03Å; P44-F186 HydrophobicContact CB-CD2 4.01Å; T45-F186 PolarHBondContact OG1-N 2.92Å; Y48-F186 VanDerWaalsContact CB-CE2 3.49Å; Y48-F186 HydrophobicContact CD1-CE2 4.32Å; Y48-F186 AromaticContact CD1-CZ 3.99Å; Y48-F186 HydrophobicContact CD1-CZ 3.99Å; Y48-F186 AromaticContact CD2-CE2 3.94Å; Y48-F186 HydrophobicContact CD2-CE2 3.94Å; Y48-F186 AromaticContact CD2-CZ 3.58Å; Y48-F186 HydrophobicContact CD2-CZ 3.58Å; Y48-F186 HydrophobicContact CE1-CZ 4.43Å; Y48-F186 HydrophobicContact CE2-CZ 4.04Å; Y48-F186 AromaticContact CG-CE2 3.66Å; Y48-F186 HydrophobicContact CG-CE2 3.66Å; Y48-F186 AromaticContact CG-CZ 3.56Å; Y48-F186 HydrophobicContact CG-CZ 3.56Å; D162-F186 PolarHBondContact OD1-N 3.34Å; F186-K190 VanDerWaalsContact O-CB 3.26Å; F186-K190 WeakPolarHBondContact O-CB 3.43Å; F186-K190 PolarHBondContact O-N 3.39Å
187L95.8Very high95.4Very high24 Ų2441.4 Ų41.413%0.12621%0.207CC..Hα-helixtrans-64.6-53.9175.9-179.9167.5000109.1A41 D162 F164 G185 N189 K190 E191 T392A41-L187 HydrophobicContact CB-CD1 3.6Å; D162-L187 WeakPolarHBondContact OD1-CA 3.27Å; D162-L187 VanDerWaalsContact OD1-CB 3.24Å; D162-L187 WeakPolarHBondContact OD1-CB 3.45Å; D162-L187 PolarHBondContact OD1-N 2.74Å; F164-L187 HydrophobicContact CB-CD2 3.66Å; G185-L187 PolarHBondContact O-N 2.91Å; L187-N189 VanDerWaalsContact C-N 3.33Å; L187-N189 PolarHBondContact O-N 2.91Å; L187-K190 PolarHBondContact O-N 2.97Å; L187-E191 HydrophobicContact CD2-CG 4.08Å; L187-E191 VanDerWaalsContact O-CG 3.24Å; L187-E191 WeakPolarHBondContact O-CG 3.28Å; L187-E191 PolarHBondContact O-N 3.24Å; L187-T392 HydrophobicContact CD1-CG2 4.48Å
188M96.1Very high95Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-58.6-44.9177.8178.176.680.300111.4N161 D162 F164 A167 C184 G185 K190 E191 L192 V409 L412N161-M188 HydrophobicContact CB-CE 4.15Å; N161-M188 VanDerWaalsContact CG-CE 3.46Å; N161-M188 VanDerWaalsContact O-CB 3.26Å; N161-M188 WeakPolarHBondContact O-CB 3.5Å; N161-M188 VanDerWaalsContact OD1-CE 3.29Å; N161-M188 WeakPolarHBondContact OD1-CE 3.36Å; D162-M188 PolarHBondContact OD1-N 2.89Å; F164-M188 HydrophobicContact CB-CE 4.45Å; F164-M188 HydrophobicContact CB-SD 3.95Å; F164-M188 HydrophobicContact CD2-SD 3.64Å; F164-M188 HydrophobicContact CG-SD 4.3Å; A167-M188 HydrophobicContact CB-CE 4.08Å; A167-M188 HydrophobicContact CB-SD 4.47Å; C184-M188 HydrophobicContact CB-CB 3.9Å; C184-M188 HydrophobicContact CB-CG 3.59Å; G185-M188 PolarHBondContact O-N 2.76Å; M188-K190 PolarHBondContact O-N 3.41Å; M188-E191 WeakPolarHBondContact O-CB 3.17Å; M188-E191 PolarHBondContact O-N 2.78Å; M188-L192 HydrophobicContact CG-CD1 4.08Å; M188-L192 HydrophobicContact CG-CG 4.49Å; M188-L192 WeakPolarHBondContact O-CG 3.34Å; M188-L192 PolarHBondContact O-N 2.72Å; M188-L192 HydrophobicContact SD-CD1 4.43Å; M188-V409 HydrophobicContact SD-CG2 4.01Å; M188-L412 HydrophobicContact CG-CD1 4.46Å
189N95.9Very high94.7Very high46 Ų4636 Ų3625%0.24618%0.182CC..Hα-helixtrans-62.1-42.2179.9-169.240.3000112.1C184 G185 L187 L192 T193C184-N189 HydrophobicContact CB-CB 4.33Å; G185-N189 WeakPolarHBondContact O-CB 3.27Å; G185-N189 PolarHBondContact O-N 3.14Å; L187-N189 VanDerWaalsContact C-N 3.33Å; L187-N189 PolarHBondContact O-N 2.91Å; N189-L192 PolarHBondContact O-N 3.31Å; N189-T193 WeakPolarHBondContact O-CB 3.36Å; N189-T193 PolarHBondContact O-N 3.18Å; N189-T193 PolarHBondContact O-OG1 3.01Å
190K94.2Very high94.3Very high112 Ų11239.5 Ų39.549%0.48720%0.198SC..Hα-helixtrans-61.2-46.5176.3-176.6-179.3177.8-173.60111.1F186 L187 M188 T193 Y194F186-K190 VanDerWaalsContact O-CB 3.26Å; F186-K190 WeakPolarHBondContact O-CB 3.43Å; F186-K190 PolarHBondContact O-N 3.39Å; L187-K190 PolarHBondContact O-N 2.97Å; M188-K190 PolarHBondContact O-N 3.41Å; K190-T193 PolarHBondContact O-N 3.12Å; K190-Y194 HydrophobicContact CG-CD2 3.94Å; K190-Y194 HydrophobicContact CG-CE2 3.94Å; K190-Y194 WeakPolarHBondContact O-CD2 3.34Å; K190-Y194 PolarHBondContact O-N 3.07Å; K190-Y194 VanDerWaalsContact O-N 3.11Å
191E94.6Very high94Very high2 Ų240.3 Ų40.31%0.00920%0.196CC..Hα-helixtrans-56.2-54176.8-64.3-87.9-166.800110.7F164 L187 M188 T193 Y194 F195 H389 S391 T392F164-E191 HydrophobicContact CB-CB 4.32Å; F164-E191 HydrophobicContact CB-CG 3.82Å; F164-E191 HydrophobicContact CD1-CB 3.97Å; F164-E191 HydrophobicContact CD1-CG 3.6Å; F164-E191 WeakPolarHBondContact CD1-OE1 3.41Å; F164-E191 HydrophobicContact CD2-CB 3.57Å; F164-E191 HydrophobicContact CD2-CG 3.98Å; F164-E191 HydrophobicContact CE1-CB 4.14Å; F164-E191 HydrophobicContact CE1-CG 4.13Å; F164-E191 WeakPolarHBondContact CE1-OE2 3.33Å; F164-E191 HydrophobicContact CE2-CB 3.76Å; F164-E191 HydrophobicContact CE2-CG 4.47Å; F164-E191 HydrophobicContact CG-CB 3.68Å; F164-E191 HydrophobicContact CG-CG 3.52Å; F164-E191 HydrophobicContact CZ-CB 4.05Å; L187-E191 HydrophobicContact CD2-CG 4.08Å; L187-E191 VanDerWaalsContact O-CG 3.24Å; L187-E191 WeakPolarHBondContact O-CG 3.28Å; L187-E191 PolarHBondContact O-N 3.24Å; M188-E191 WeakPolarHBondContact O-CB 3.17Å; M188-E191 PolarHBondContact O-N 2.78Å; E191-T193 VanDerWaalsContact C-N 3.33Å; E191-T193 PolarHBondContact O-N 2.67Å; E191-Y194 PolarHBondContact O-N 2.6Å; E191-F195 WeakPolarHBondContact O-CD2 3.28Å; E191-F195 PolarHBondContact O-N 3.04Å; E191-H389 VanDerWaalsContact CD-NE2 3.33Å; E191-H389 IonicContact OE1-NE2 2.89Å; E191-H389 IonicContact OE2-CD2 2.73Å; E191-H389 IonicContact OE2-CE1 3.78Å; E191-H389 IonicContact OE2-NE2 3.2Å; E191-H389 PolarHBondContact OE2-NE2 2.78Å; E191-S391 WeakPolarHBondContact OE1-CA 3.38Å; E191-S391 WeakPolarHBondContact OE2-CA 3.41Å; E191-S391 VanDerWaalsContact OE2-CB 3.3Å; E191-S391 WeakPolarHBondContact OE2-CB 3.36Å; E191-T392 WeakPolarHBondContact OE1-CB 3.45Å; E191-T392 PolarHBondContact OE1-N 3.41Å; E191-T392 PolarHBondContact OE1-OG1 3.42Å
192L93.9Very high93.8Very high2 Ų238 Ų381%0.0119%0.187CC..Hα-helixtrans-60.6-40.5-179.8-65.9176.8000112.5L3 K5 M188 N189 Y194 F195 A196 V409L3-L192 HydrophobicContact CD2-CD2 3.85Å; K5-L192 HydrophobicContact CB-CD1 4.35Å; K5-L192 HydrophobicContact CG-CD1 4.01Å; M188-L192 HydrophobicContact CG-CD1 4.08Å; M188-L192 HydrophobicContact CG-CG 4.49Å; M188-L192 WeakPolarHBondContact O-CG 3.34Å; M188-L192 PolarHBondContact O-N 2.72Å; M188-L192 HydrophobicContact SD-CD1 4.43Å; N189-L192 PolarHBondContact O-N 3.31Å; L192-Y194 PolarHBondContact O-N 3.05Å; L192-F195 PolarHBondContact O-N 2.78Å; L192-A196 VanDerWaalsContact O-CB 3.23Å; L192-A196 WeakPolarHBondContact O-CB 3.36Å; L192-A196 PolarHBondContact O-N 2.9Å; L192-V409 HydrophobicContact CD1-CG1 3.96Å; L192-V409 HydrophobicContact CD1-CG2 4.42Å; L192-V409 HydrophobicContact CD2-CG1 3.87Å; L192-V409 HydrophobicContact CD2-CG2 3.88Å
193T92.8Very high93.8Very high58 Ų5841.6 Ų41.636%0.35620%0.204SC..Hα-helixtrans-60.2-46.4178.1-62.70000111.6N189 K190 E191 K197N189-T193 WeakPolarHBondContact O-CB 3.36Å; N189-T193 PolarHBondContact O-N 3.18Å; N189-T193 PolarHBondContact O-OG1 3.01Å; K190-T193 PolarHBondContact O-N 3.12Å; E191-T193 VanDerWaalsContact C-N 3.33Å; E191-T193 PolarHBondContact O-N 2.67Å; T193-K197 WeakPolarHBondContact O-CG 3.49Å; T193-K197 PolarHBondContact O-N 3.11Å; T193-K197 VanDerWaalsContact O-N 3.09Å
194Y92.8Very high93.8Very high51 Ų5147.7 Ų47.720%0.223%0.227CC..Hα-helixtrans-68.1-44.5179.4-86.4-73.9000111.9K190 E191 L192 A196 K197 A198 T366 I368 S388 H389K190-Y194 HydrophobicContact CG-CD2 3.94Å; K190-Y194 HydrophobicContact CG-CE2 3.94Å; K190-Y194 WeakPolarHBondContact O-CD2 3.34Å; K190-Y194 PolarHBondContact O-N 3.07Å; K190-Y194 VanDerWaalsContact O-N 3.11Å; E191-Y194 PolarHBondContact O-N 2.6Å; L192-Y194 PolarHBondContact O-N 3.05Å; Y194-A196 VanDerWaalsContact C-N 3.33Å; Y194-A196 PolarHBondContact O-N 3.42Å; Y194-K197 PolarHBondContact O-N 3.27Å; Y194-A198 PolarHBondContact O-N 3.48Å; Y194-A198 VanDerWaalsContact O-N 3.1Å; Y194-T366 HydrophobicContact CD1-CG2 4.28Å; Y194-T366 HydrophobicContact CE1-CG2 4.44Å; Y194-I368 HydrophobicContact CD1-CG1 4.4Å; Y194-I368 WeakPolarHBondContact O-CD1 3.22Å; Y194-S388 VanDerWaalsContact CZ-O 3.27Å; Y194-S388 PolarHBondContact OH-O 3.46Å; Y194-S388 VanDerWaalsContact OH-O 3.05Å; Y194-H389 HydrophobicContact CD1-CB 3.74Å; Y194-H389 HydrophobicContact CD2-CB 3.55Å; Y194-H389 AromaticContact CD2-CG 3.48Å; Y194-H389 VanDerWaalsContact CD2-CG 3.48Å; Y194-H389 AromaticContact CD2-ND1 3.68Å; Y194-H389 HydrophobicContact CE1-CB 4.01Å; Y194-H389 HydrophobicContact CE2-CB 3.82Å; Y194-H389 HydrophobicContact CG-CB 3.5Å; Y194-H389 AromaticContact CG-CG 3.7Å
195F92.6Very high93.8Very high0 Ų049.7 Ų49.70%024%0.24CC..Hα-helixtrans-65.6-35176.9-77-69.3000112.7L3 F164 E191 L192 A198 L199 I368 S397 L400 L401L3-F195 HydrophobicContact CD1-CB 4.23Å; F164-F195 HydrophobicContact CE1-CE2 4.13Å; F164-F195 HydrophobicContact CZ-CD2 4.06Å; F164-F195 AromaticContact CZ-CE2 3.75Å; F164-F195 HydrophobicContact CZ-CE2 3.75Å; E191-F195 WeakPolarHBondContact O-CD2 3.28Å; E191-F195 PolarHBondContact O-N 3.04Å; L192-F195 PolarHBondContact O-N 2.78Å; F195-A198 PolarHBondContact O-N 2.71Å; F195-L199 HydrophobicContact CB-CD1 4.34Å; F195-L199 HydrophobicContact CD1-CD1 4.33Å; F195-L199 WeakPolarHBondContact O-CB 3.3Å; F195-L199 VanDerWaalsContact O-CG 3.31Å; F195-L199 WeakPolarHBondContact O-CG 3.46Å; F195-L199 PolarHBondContact O-N 2.85Å; F195-I368 HydrophobicContact CD1-CG2 4.48Å; F195-I368 HydrophobicContact CE1-CG2 3.86Å; F195-I368 HydrophobicContact CZ-CG2 3.93Å; F195-S397 VanDerWaalsContact CZ-CB 3.45Å; F195-L400 HydrophobicContact CB-CD2 3.47Å; F195-L400 VanDerWaalsContact CB-CD2 3.47Å; F195-L400 HydrophobicContact CB-CG 4.33Å; F195-L400 HydrophobicContact CD1-CD2 4.02Å; F195-L400 HydrophobicContact CD1-CG 4.48Å; F195-L400 HydrophobicContact CD2-CD2 3.53Å; F195-L400 HydrophobicContact CE2-CD2 4.29Å; F195-L400 HydrophobicContact CG-CD2 3.39Å; F195-L400 HydrophobicContact CG-CG 4.28Å; F195-L401 HydrophobicContact CD1-CD2 3.91Å; F195-L401 HydrophobicContact CD1-CG 4.35Å; F195-L401 HydrophobicContact CE1-CD1 4.23Å; F195-L401 HydrophobicContact CE1-CD2 3.7Å; F195-L401 HydrophobicContact CE1-CG 3.79Å
196A91.1Very high93.8Very high19 Ų1949.7 Ų49.716%0.15724%0.24CC..Hα-helixtrans-61.6-46.9173.100000111.5L3 L192 Y194 A198 L199 E200L3-A196 HydrophobicContact CB-CB 3.91Å; L3-A196 HydrophobicContact CD1-CB 4.05Å; L192-A196 VanDerWaalsContact O-CB 3.23Å; L192-A196 WeakPolarHBondContact O-CB 3.36Å; L192-A196 PolarHBondContact O-N 2.9Å; Y194-A196 VanDerWaalsContact C-N 3.33Å; Y194-A196 PolarHBondContact O-N 3.42Å; A196-A198 VanDerWaalsContact C-N 3.3Å; A196-A198 PolarHBondContact O-N 3.36Å; A196-L199 PolarHBondContact O-N 3.35Å; A196-E200 WeakPolarHBondContact O-CA 3.34Å; A196-E200 VanDerWaalsContact O-CB 3.27Å; A196-E200 WeakPolarHBondContact O-CB 3.2Å; A196-E200 PolarHBondContact O-N 3.44Å
197K89Confident93.8Very high111 Ų11146.6 Ų46.648%0.48323%0.227SC..Hα-helixtrans-55.7-44.1175.5-74.2177.8179.3-174.80112T193 Y194 N201 P202T193-K197 WeakPolarHBondContact O-CG 3.49Å; T193-K197 PolarHBondContact O-N 3.11Å; T193-K197 VanDerWaalsContact O-N 3.09Å; Y194-K197 PolarHBondContact O-N 3.27Å; K197-N201 CarbonylContact O-C 3.56Å; K197-P202 VanDerWaalsContact O-CA 3.29Å; K197-P202 WeakPolarHBondContact O-CA 3.37Å; K197-P202 VanDerWaalsContact O-N 3.1Å
198A90.2Very high93.9Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-79.4-35.6-178.900000114.5Y194 F195 A196 P202 F206 T331 V333 I368Y194-A198 PolarHBondContact O-N 3.48Å; Y194-A198 VanDerWaalsContact O-N 3.1Å; F195-A198 PolarHBondContact O-N 2.71Å; A196-A198 VanDerWaalsContact C-N 3.3Å; A196-A198 PolarHBondContact O-N 3.36Å; A198-P202 WeakPolarHBondContact O-CB 3.46Å; A198-P202 WeakPolarHBondContact O-CG 3.45Å; A198-F206 HydrophobicContact CB-CZ 4.35Å; A198-F206 WeakPolarHBondContact O-CE1 3.26Å; A198-T331 HydrophobicContact CB-CG2 3.87Å; A198-V333 HydrophobicContact CB-CG2 3.99Å; A198-I368 HydrophobicContact CB-CD1 3.44Å; A198-I368 VanDerWaalsContact CB-CD1 3.44Å
199L89.3Confident94Very high17 Ų1745.5 Ų45.59%0.08922%0.221CC..Hα-helixtrans-95.6-23.3-171.2-63.1177.5000114.1F195 A196 M225 K228 L400 L401F195-L199 HydrophobicContact CB-CD1 4.34Å; F195-L199 HydrophobicContact CD1-CD1 4.33Å; F195-L199 WeakPolarHBondContact O-CB 3.3Å; F195-L199 VanDerWaalsContact O-CG 3.31Å; F195-L199 WeakPolarHBondContact O-CG 3.46Å; F195-L199 PolarHBondContact O-N 2.85Å; A196-L199 PolarHBondContact O-N 3.35Å; L199-M225 HydrophobicContact CD2-CE 3.96Å; L199-K228 HydrophobicContact CD2-CD 3.82Å; L199-K228 PolarHBondContact O-NZ 3.26Å; L199-L400 HydrophobicContact CD1-CG 4.1Å; L199-L401 HydrophobicContact CD1-CD2 4.39Å; L199-L401 HydrophobicContact CD2-CD2 3.97Å; L199-L401 HydrophobicContact CG-CD2 4.49Å
200E89.5Confident94.1Very high94 Ų9443.3 Ų43.344%0.43921%0.209SC..THydrogen-bonded Turntrans-104.7-49.1-178.4-56.4180178.200111.5L3 A196L3-E200 PolarHBondContact N-OE1 3.41Å; A196-E200 WeakPolarHBondContact O-CA 3.34Å; A196-E200 VanDerWaalsContact O-CB 3.27Å; A196-E200 WeakPolarHBondContact O-CB 3.2Å; A196-E200 PolarHBondContact O-N 3.44Å
201N87.5Confident94.1Very high133 Ų13338 Ų3871%0.71119%0.187SC*.SBendtrans-135.159.1-175.3-62.2-67.4000113.6K197K197-N201 CarbonylContact O-C 3.56Å
202P94.8Very high94Very high22 Ų2239.1 Ų39.114%0.14320%0.198CC..  trans-70.7139.9-177.227.4-33.8000112.6K197 A198 F206 T331K197-P202 VanDerWaalsContact O-CA 3.29Å; K197-P202 WeakPolarHBondContact O-CA 3.37Å; K197-P202 VanDerWaalsContact O-N 3.1Å; A198-P202 WeakPolarHBondContact O-CB 3.46Å; A198-P202 WeakPolarHBondContact O-CG 3.45Å; P202-F206 HydrophobicContact CB-CB 4.16Å; P202-F206 HydrophobicContact CB-CD1 3.73Å; P202-F206 HydrophobicContact CB-CE1 4.27Å; P202-F206 HydrophobicContact CB-CG 3.94Å; P202-F206 HydrophobicContact CG-CB 4.46Å; P202-F206 HydrophobicContact CG-CD1 3.65Å; P202-F206 HydrophobicContact CG-CE1 4.21Å; P202-F206 HydrophobicContact CG-CG 4.28Å; P202-T331 HydrophobicContact CB-CG2 4.1Å
203E97Very high94Very high117 Ų11741.4 Ų41.455%0.54722%0.218SC..  trans-68.8141.5163.2-65.8-171.8-178.300110.1K330 T331E203-K330 HydrophobicContact CB-CB 3.69Å; E203-T331 PolarHBondContact N-OG1 3.25Å; E203-T331 WeakPolarHBondContact O-CB 3.39Å; E203-T331 PolarHBondContact O-N 3.13Å; E203-T331 PolarHBondContact O-OG1 3.21Å
204R98Very high94Very high129 Ų12943.7 Ų43.749%0.48722%0.222SC..SBendtrans-112.2145.8-171.5-65.6-174.5179.2-79.1-1.2112.4K228 N230 K330R204-K228 PolarHBondContact NH1-O 3.34Å; R204-K228 PolarHBondContact NH2-O 3.39Å; R204-N230 WeakPolarHBondContact CD-OD1 3.49Å; R204-N230 WeakPolarHBondContact CG-OD1 3.42Å; R204-N230 PolarHBondContact NH1-OD1 3.14Å; R204-K330 WeakPolarHBondContact O-CG 3.27Å
205P98Very high94Very high41 Ų4141.2 Ų41.227%0.26621%0.213SC..SBendcis-69.3133.87-20.133.5000113.8N230 A329 K330 T331P205-N230 HydrophobicContact CB-CB 4.29Å; P205-A329 WeakPolarHBondContact O-CA 3.43Å; P205-K330 PolarHBondContact O-N 3.01Å; P205-T331 PolarHBondContact O-N 3.2Å
206F98.2Very high94Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-92.8120.3172.7179.8-164.1000108.8A198 P202 K228 V229 N230 E231 T331 V333A198-F206 HydrophobicContact CB-CZ 4.35Å; A198-F206 WeakPolarHBondContact O-CE1 3.26Å; P202-F206 HydrophobicContact CB-CB 4.16Å; P202-F206 HydrophobicContact CB-CD1 3.73Å; P202-F206 HydrophobicContact CB-CE1 4.27Å; P202-F206 HydrophobicContact CB-CG 3.94Å; P202-F206 HydrophobicContact CG-CB 4.46Å; P202-F206 HydrophobicContact CG-CD1 3.65Å; P202-F206 HydrophobicContact CG-CE1 4.21Å; P202-F206 HydrophobicContact CG-CG 4.28Å; F206-K228 HydrophobicContact CD1-CB 4.27Å; F206-K228 HydrophobicContact CE1-CB 3.93Å; F206-V229 HydrophobicContact CD1-CB 4.41Å; F206-V229 HydrophobicContact CD1-CG1 3.86Å; F206-V229 HydrophobicContact CD2-CG1 4.24Å; F206-V229 HydrophobicContact CE1-CG1 3.83Å; F206-V229 HydrophobicContact CE2-CG1 4.18Å; F206-V229 HydrophobicContact CG-CB 4.43Å; F206-V229 HydrophobicContact CG-CG1 4.07Å; F206-V229 HydrophobicContact CZ-CG1 3.99Å; F206-V229 WeakPolarHBondContact O-CB 3.21Å; F206-N230 PolarHBondContact N-OD1 3.29Å; F206-N230 PolarHBondContact O-N 3.33Å; F206-E231 PolarHBondContact O-N 2.92Å; F206-T331 WeakPolarHBondContact CA-O 3.37Å; F206-T331 HydrophobicContact CD2-CG2 3.6Å; F206-T331 WeakPolarHBondContact CD2-O 3.39Å; F206-T331 HydrophobicContact CE2-CG2 3.71Å; F206-T331 HydrophobicContact CG-CG2 4.3Å; F206-T331 HydrophobicContact CZ-CG2 4.44Å; F206-V333 HydrophobicContact CE2-CB 4.13Å; F206-V333 HydrophobicContact CE2-CG2 3.74Å; F206-V333 HydrophobicContact CZ-CB 4.43Å; F206-V333 HydrophobicContact CZ-CG2 3.84Å
207L98.7Very high94Very high1 Ų147.2 Ų47.21%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-107.1132.6177.7172.862.7000111I209 E231 I233 V325 I326 A329 T331 I332 V333L207-I209 HydrophobicContact CD1-CG1 4.4Å; L207-I209 HydrophobicContact CD2-CD1 4.07Å; L207-I209 HydrophobicContact CD2-CG1 3.87Å; L207-I209 HydrophobicContact CG-CG1 3.88Å; L207-E231 WeakPolarHBondContact CA-O 3.24Å; L207-E231 HydrophobicContact CD1-CB 3.82Å; L207-I233 HydrophobicContact CD1-CD1 4.19Å; L207-I233 HydrophobicContact CD1-CG1 4.11Å; L207-I233 HydrophobicContact CD2-CD1 4.28Å; L207-V325 HydrophobicContact CD1-CG1 3.64Å; L207-V325 HydrophobicContact CD2-CG1 3.87Å; L207-V325 HydrophobicContact CG-CG1 4.38Å; L207-I326 HydrophobicContact CD2-CB 4.35Å; L207-I326 HydrophobicContact CD2-CG1 3.88Å; L207-A329 HydrophobicContact CB-CB 3.68Å; L207-A329 HydrophobicContact CD2-CB 4.13Å; L207-T331 PolarHBondContact N-O 2.92Å; L207-I332 HydrophobicContact CD2-CG2 4.4Å; L207-I332 WeakPolarHBondContact O-CA 3.43Å; L207-V333 PolarHBondContact O-N 3Å
208A98.1Very high94.1Very high0 Ų043.4 Ų43.40%023%0.228CC..EExtended strand (participates in β ladder)trans-103.9136.8158.600000110.5M225 V229 E231 L232 I233 V333A208-M225 HydrophobicContact CB-CB 4.25Å; A208-M225 HydrophobicContact CB-CG 3.96Å; A208-M225 HydrophobicContact CB-SD 4.03Å; A208-V229 HydrophobicContact CB-CG1 3.75Å; A208-E231 PolarHBondContact N-O 3.34Å; A208-L232 HydrophobicContact CB-CD1 3.73Å; A208-L232 CarbonylContact O-C 3.56Å; A208-L232 WeakPolarHBondContact O-CA 3.25Å; A208-I233 PolarHBondContact O-N 3.31Å; A208-V333 CarbonylContact C-O 3.58Å; A208-V333 WeakPolarHBondContact CA-O 3.24Å
209I98.4Very high94.3Very high0 Ų045.4 Ų45.40%024%0.239CC..EExtended strand (participates in β ladder)trans-115.5111.8174.7-53.1178.2000107L207 I233 I326 I332 V333 W334 N335 M338 V357L207-I209 HydrophobicContact CD1-CG1 4.4Å; L207-I209 HydrophobicContact CD2-CD1 4.07Å; L207-I209 HydrophobicContact CD2-CG1 3.87Å; L207-I209 HydrophobicContact CG-CG1 3.88Å; I209-I233 HydrophobicContact CG1-CB 4.5Å; I209-I233 HydrophobicContact CG1-CD1 4.34Å; I209-I233 HydrophobicContact CG2-CB 4.29Å; I209-I233 HydrophobicContact CG2-CG2 4.04Å; I209-I326 HydrophobicContact CD1-CD1 4Å; I209-I326 HydrophobicContact CD1-CG1 3.86Å; I209-I332 HydrophobicContact CD1-CG2 3.73Å; I209-I332 HydrophobicContact CG1-CG2 4.1Å; I209-V333 PolarHBondContact N-O 3.48Å; I209-W334 HydrophobicContact CB-CB 4.08Å; I209-W334 HydrophobicContact CB-CG 3.85Å; I209-W334 HydrophobicContact CD1-CB 4.39Å; I209-W334 HydrophobicContact CD1-CG 4.29Å; I209-W334 HydrophobicContact CG2-CD2 4.45Å; I209-W334 HydrophobicContact CG2-CG 3.98Å; I209-W334 WeakPolarHBondContact O-CA 3.42Å; I209-N335 PolarHBondContact O-N 2.88Å; I209-M338 HydrophobicContact CG2-CE 3.06Å; I209-V357 HydrophobicContact CD1-CG2 3.95Å
210L97.2Very high94.5Very high1 Ų150 Ų501%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-114.5130.1-177.7-56.2-172.3000110.2L221 I222 L232 I233 I234 G235 M238 N335L210-L221 HydrophobicContact CD1-CD2 4.09Å; L210-L221 HydrophobicContact CD1-CG 4.06Å; L210-L221 HydrophobicContact CD2-CD2 3.52Å; L210-L221 HydrophobicContact CD2-CG 4.06Å; L210-L221 HydrophobicContact CG-CD2 4.43Å; L210-I222 HydrophobicContact CD1-CG1 3.75Å; L210-L232 HydrophobicContact CD1-CD1 3.71Å; L210-L232 HydrophobicContact CG-CD1 3.74Å; L210-I233 PolarHBondContact N-O 2.88Å; L210-I234 CarbonylContact O-C 3.51Å; L210-I234 WeakPolarHBondContact O-CA 3.43Å; L210-G235 PolarHBondContact O-N 3.01Å; L210-M238 HydrophobicContact CB-CE 3.51Å; L210-M238 WeakPolarHBondContact O-CE 3.48Å; L210-N335 CarbonylContact C-O 3.47Å; L210-N335 WeakPolarHBondContact CA-O 3.39Å; L210-N335 HydrophobicContact CD2-CB 4.14Å
211G95.1Very high94.7Very high1 Ų145.6 Ų45.61%0.0124%0.239CC..  trans-129175.7170.900000111.6N335 P337G211-N335 PolarHBondContact N-O 3.12Å; G211-P337 WeakPolarHBondContact CA-O 3.18Å
212G91.4Very high95.1Very high25 Ų2539.2 Ų39.226%0.25821%0.205SC..SBendtrans130.7-177.117900000113.3G236 G237 M238G212-G236 CarbonylContact O-C 3.46Å; G212-G237 WeakPolarHBondContact O-CA 3.1Å; G212-G237 PolarHBondContact O-N 3.42Å; G212-M238 PolarHBondContact O-N 3.22Å
213A93.5Very high95.2Very high50 Ų5040.9 Ų40.941%0.41321%0.213SC..SBendtrans-88.1-38.9-169.800000114.6G237 M238 L255A213-G237 CarbonylContact O-C 3.41Å; A213-M238 PolarHBondContact O-N 3.36Å; A213-L255 HydrophobicContact CB-CD1 3.82Å
214K93.1Very high95.1Very high105 Ų10536.8 Ų36.846%0.45720%0.195SC..  trans-128.1140.1-169.8-63.7-176-175.1175.40111.7D217 D257K214-D217 HydrophobicContact CB-CB 4.35Å; K214-D257 HydrophobicContact CB-CB 4.33Å; K214-D257 HydrophobicContact CG-CB 4.43Å
215V93.3Very high95Very high0 Ų030.6 Ų30.60%017%0.171CC..SBendtrans-74.1-38.7175.5-176.90000110.1D217 K218 I219 I222 M238 T241 F242 D257 I263V215-D217 VanDerWaalsContact C-N 3.29Å; V215-D217 PolarHBondContact O-N 3.25Å; V215-K218 CarbonylContact O-C 3.51Å; V215-K218 WeakPolarHBondContact O-CA 3.46Å; V215-K218 PolarHBondContact O-N 3.21Å; V215-I219 VanDerWaalsContact O-CG1 3.29Å; V215-I219 WeakPolarHBondContact O-CG1 3.33Å; V215-I219 PolarHBondContact O-N 3.47Å; V215-I222 HydrophobicContact CG1-CD1 4.06Å; V215-M238 HydrophobicContact CG2-CB 3.83Å; V215-T241 HydrophobicContact CG2-CG2 4.02Å; V215-F242 HydrophobicContact CB-CE2 4.46Å; V215-F242 HydrophobicContact CG1-CE2 3.85Å; V215-F242 HydrophobicContact CG1-CZ 4.32Å; V215-F242 HydrophobicContact CG2-CD2 4Å; V215-F242 HydrophobicContact CG2-CE2 3.71Å; V215-D257 PolarHBondContact N-OD2 3.45Å; V215-I263 HydrophobicContact CG1-CD1 4.08Å; V215-I263 HydrophobicContact CG1-CG1 4.41Å
216S93.5Very high94.9Very high37 Ų3728.8 Ų28.826%0.25916%0.159SC..G310 helixtrans-56.6-38.7-179.7500000113K218 I219 D257S216-K218 PolarHBondContact O-N 3.2Å; S216-I219 WeakPolarHBondContact O-CG1 3.28Å; S216-D257 VanDerWaalsContact CB-OD2 3.24Å; S216-D257 WeakPolarHBondContact CB-OD2 3.12Å; S216-D257 PolarHBondContact N-OD2 2.9Å; S216-D257 VanDerWaalsContact OG-CG 3.26Å; S216-D257 PolarHBondContact OG-OD1 3.02Å; S216-D257 VanDerWaalsContact OG-OD1 3.07Å; S216-D257 PolarHBondContact OG-OD2 2.72Å
217D91Very high94.8Very high107 Ų10733.8 Ų33.857%0.57219%0.186SC*.G310 helixtrans-72.6-12.2175.6-66-23000113.1K214 V215K214-D217 HydrophobicContact CB-CB 4.35Å; V215-D217 VanDerWaalsContact C-N 3.29Å; V215-D217 PolarHBondContact O-N 3.25Å
218K91.3Very high94.6Very high31 Ų3136.4 Ų36.414%0.13520%0.197CC..G310 helixtrans-122.75.7-173.6-63-65.5-172.9176.90113.8V215 S216 Q220 L221 I222 M238 N335 L398V215-K218 CarbonylContact O-C 3.51Å; V215-K218 WeakPolarHBondContact O-CA 3.46Å; V215-K218 PolarHBondContact O-N 3.21Å; S216-K218 PolarHBondContact O-N 3.2Å; K218-Q220 VanDerWaalsContact C-N 3.3Å; K218-Q220 PolarHBondContact O-N 3.47Å; K218-L221 HydrophobicContact CD-CD2 3.95Å; K218-L221 WeakPolarHBondContact O-CB 3.18Å; K218-L221 PolarHBondContact O-N 2.99Å; K218-I222 HydrophobicContact CB-CD1 4.29Å; K218-I222 WeakPolarHBondContact O-CG1 3.48Å; K218-I222 PolarHBondContact O-N 2.84Å; K218-M238 HydrophobicContact CG-SD 4.33Å; K218-N335 PolarHBondContact NZ-OD1 3.38Å; K218-L398 HydrophobicContact CD-CD1 4.31Å
219I93.2Very high94.6Very high43 Ų4336.8 Ų36.822%0.22120%0.199CC..Hα-helixtrans-53.9-47.9-176.3-61.4-176.2000111.3V215 S216 L221 I222 N223 I263V215-I219 VanDerWaalsContact O-CG1 3.29Å; V215-I219 WeakPolarHBondContact O-CG1 3.33Å; V215-I219 PolarHBondContact O-N 3.47Å; S216-I219 WeakPolarHBondContact O-CG1 3.28Å; I219-L221 VanDerWaalsContact C-N 3.31Å; I219-L221 PolarHBondContact O-N 3.03Å; I219-I222 PolarHBondContact O-N 3.13Å; I219-N223 WeakPolarHBondContact CG2-ND2 3.34Å; I219-N223 WeakPolarHBondContact O-CB 3.44Å; I219-N223 VanDerWaalsContact O-CG 3.26Å; I219-N223 PolarHBondContact O-N 3.21Å; I219-N223 PolarHBondContact O-ND2 2.67Å; I219-I263 HydrophobicContact CB-CD1 4.13Å; I219-I263 HydrophobicContact CD1-CD1 3.61Å; I219-I263 HydrophobicContact CD1-CG1 4.2Å; I219-I263 HydrophobicContact CG1-CD1 3.46Å; I219-I263 VanDerWaalsContact CG1-CD1 3.46Å; I219-I263 HydrophobicContact CG1-CG1 4.47Å; I219-I263 HydrophobicContact CG2-CD1 3.84Å
220Q93.8Very high94.6Very high114 Ų11439.2 Ų39.253%0.53321%0.213SC..Hα-helixtrans-66.5-36.9-178.1-60.1-62.917.800111.9K218 N224 E402K218-Q220 VanDerWaalsContact C-N 3.3Å; K218-Q220 PolarHBondContact O-N 3.47Å; Q220-N224 WeakPolarHBondContact O-CB 3.33Å; Q220-N224 PolarHBondContact O-N 3.15Å; Q220-E402 HydrophobicContact CB-CB 4.17Å; Q220-E402 HydrophobicContact CB-CG 4.07Å
221L94.2Very high94.7Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-64.2-50.6176.217761000110.3L210 K218 I219 N223 N224 M225 N335 L398 L401 E402L210-L221 HydrophobicContact CD1-CD2 4.09Å; L210-L221 HydrophobicContact CD1-CG 4.06Å; L210-L221 HydrophobicContact CD2-CD2 3.52Å; L210-L221 HydrophobicContact CD2-CG 4.06Å; L210-L221 HydrophobicContact CG-CD2 4.43Å; K218-L221 HydrophobicContact CD-CD2 3.95Å; K218-L221 WeakPolarHBondContact O-CB 3.18Å; K218-L221 PolarHBondContact O-N 2.99Å; I219-L221 VanDerWaalsContact C-N 3.31Å; I219-L221 PolarHBondContact O-N 3.03Å; L221-N223 PolarHBondContact O-N 3.48Å; L221-N224 PolarHBondContact O-N 3.29Å; L221-M225 HydrophobicContact CD1-CE 4.42Å; L221-M225 HydrophobicContact CD1-CG 3.93Å; L221-M225 HydrophobicContact CD1-SD 4.44Å; L221-M225 HydrophobicContact CG-CG 4.34Å; L221-M225 WeakPolarHBondContact O-CB 3.47Å; L221-M225 VanDerWaalsContact O-CG 3.25Å; L221-M225 WeakPolarHBondContact O-CG 3.26Å; L221-M225 PolarHBondContact O-N 3.06Å; L221-N335 HydrophobicContact CD2-CB 4.47Å; L221-L398 HydrophobicContact CB-CD1 4.46Å; L221-L398 HydrophobicContact CD2-CD1 3.73Å; L221-L398 HydrophobicContact CG-CD1 4.5Å; L221-L401 HydrophobicContact CD1-CB 3.41Å; L221-L401 VanDerWaalsContact CD1-CB 3.41Å; L221-L401 WeakPolarHBondContact CD1-O 3.45Å; L221-E402 HydrophobicContact CB-CG 3.83Å
222I96Very high94.9Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-56.4-51.2178.4-68.8166.3000110L210 V215 K218 I219 N224 M225 L226 L232 F242 V267L210-I222 HydrophobicContact CD1-CG1 3.75Å; V215-I222 HydrophobicContact CG1-CD1 4.06Å; K218-I222 HydrophobicContact CB-CD1 4.29Å; K218-I222 WeakPolarHBondContact O-CG1 3.48Å; K218-I222 PolarHBondContact O-N 2.84Å; I219-I222 PolarHBondContact O-N 3.13Å; I222-N224 PolarHBondContact O-N 2.71Å; I222-M225 PolarHBondContact O-N 3.36Å; I222-L226 HydrophobicContact CG2-CD1 4.29Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 WeakPolarHBondContact O-CG 3.24Å; I222-L226 PolarHBondContact O-N 3.31Å; I222-L232 HydrophobicContact CG2-CD2 4.39Å; I222-F242 HydrophobicContact CD1-CZ 4.48Å; I222-V267 HydrophobicContact CG2-CG1 3.63Å; I222-V267 HydrophobicContact CG2-CG2 4.1Å
223N95.1Very high95.2Very high57 Ų5739 Ų3931%0.30521%0.205SC..Hα-helixtrans-58.8-47.1-178.7-72.3-27000112.1I219 L221 M225 L226I219-N223 WeakPolarHBondContact CG2-ND2 3.34Å; I219-N223 WeakPolarHBondContact O-CB 3.44Å; I219-N223 VanDerWaalsContact O-CG 3.26Å; I219-N223 PolarHBondContact O-N 3.21Å; I219-N223 PolarHBondContact O-ND2 2.67Å; L221-N223 PolarHBondContact O-N 3.48Å; N223-M225 PolarHBondContact O-N 2.83Å; N223-L226 PolarHBondContact O-N 3.38Å
224N95.1Very high95.4Very high30 Ų3036.6 Ų36.616%0.1619%0.185CC..Hα-helixtrans-67.6-34.8178.7-17362.1000112.5Q220 L221 I222 D227 L401 G403Q220-N224 WeakPolarHBondContact O-CB 3.33Å; Q220-N224 PolarHBondContact O-N 3.15Å; L221-N224 PolarHBondContact O-N 3.29Å; I222-N224 PolarHBondContact O-N 2.71Å; N224-D227 PolarHBondContact O-N 2.7Å; N224-L401 PolarHBondContact ND2-O 3.32Å; N224-G403 PolarHBondContact ND2-N 3.15Å
225M96.1Very high95.7Very high0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-66.8-40.7174.6-69.8-55.78800111.7L199 A208 L221 I222 N223 D227 K228 V229 L401L199-M225 HydrophobicContact CD2-CE 3.96Å; A208-M225 HydrophobicContact CB-CB 4.25Å; A208-M225 HydrophobicContact CB-CG 3.96Å; A208-M225 HydrophobicContact CB-SD 4.03Å; L221-M225 HydrophobicContact CD1-CE 4.42Å; L221-M225 HydrophobicContact CD1-CG 3.93Å; L221-M225 HydrophobicContact CD1-SD 4.44Å; L221-M225 HydrophobicContact CG-CG 4.34Å; L221-M225 WeakPolarHBondContact O-CB 3.47Å; L221-M225 VanDerWaalsContact O-CG 3.25Å; L221-M225 WeakPolarHBondContact O-CG 3.26Å; L221-M225 PolarHBondContact O-N 3.06Å; I222-M225 PolarHBondContact O-N 3.36Å; N223-M225 PolarHBondContact O-N 2.83Å; M225-D227 PolarHBondContact O-N 3.47Å; M225-D227 VanDerWaalsContact O-N 3.11Å; M225-K228 HydrophobicContact CE-CD 4.32Å; M225-K228 PolarHBondContact O-N 2.98Å; M225-V229 HydrophobicContact CB-CG1 4.21Å; M225-V229 VanDerWaalsContact O-CG2 3.25Å; M225-V229 WeakPolarHBondContact O-CG2 3.3Å; M225-V229 PolarHBondContact O-N 3.04Å; M225-V229 HydrophobicContact SD-CG1 4.25Å; M225-L401 WeakPolarHBondContact CE-O 3.4Å
226L97.3Very high95.8Very high2 Ų232.1 Ų32.11%0.0117%0.169CC..Hα-helixtrans-59.2-23.2177-70.8-177.2000113.5I222 N223 K228 L232 V267 T270 A271 K274 V276 I278I222-L226 HydrophobicContact CG2-CD1 4.29Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 WeakPolarHBondContact O-CG 3.24Å; I222-L226 PolarHBondContact O-N 3.31Å; N223-L226 PolarHBondContact O-N 3.38Å; L226-K228 VanDerWaalsContact C-N 3.32Å; L226-L232 HydrophobicContact CD2-CD2 3.91Å; L226-V267 HydrophobicContact CD1-CG1 4.13Å; L226-T270 HydrophobicContact CD1-CG2 3.91Å; L226-A271 HydrophobicContact CD1-CB 4.36Å; L226-A271 HydrophobicContact CD2-CB 3.68Å; L226-K274 HydrophobicContact CB-CD 4.43Å; L226-K274 WeakPolarHBondContact O-CD 3.39Å; L226-V276 HydrophobicContact CD2-CB 4.07Å; L226-V276 HydrophobicContact CD2-CG1 3.79Å; L226-V276 HydrophobicContact CD2-CG2 4.34Å; L226-V276 WeakPolarHBondContact O-CG2 3.5Å; L226-I278 HydrophobicContact CD2-CD1 4.35Å
227D95.1Very high95.9Very high105 Ų10531 Ų3156%0.56116%0.162SC*.THydrogen-bonded Turntrans-78.3-13.9173.6-80.6-54.1000114.3N224 M225 K274N224-D227 PolarHBondContact O-N 2.7Å; M225-D227 PolarHBondContact O-N 3.47Å; M225-D227 VanDerWaalsContact O-N 3.11Å; D227-K274 WeakPolarHBondContact OD1-CE 3.19Å; D227-K274 IonicContact OD1-NZ 3.95Å; D227-K274 PolarHBondContact OD1-NZ 2.74Å; D227-K274 IonicContact OD2-NZ 3.59Å; D227-K274 PolarHBondContact OD2-NZ 3.28Å; D227-K274 VanDerWaalsContact OD2-NZ 3.17Å
228K94.8Very high96.2Very high57 Ų5725.9 Ų25.925%0.24814%0.135CC..THydrogen-bonded Turntrans-122.9-41.9-166.5-63.5-179.1178.6-67.20113.1L199 R204 F206 M225 L226L199-K228 HydrophobicContact CD2-CD 3.82Å; L199-K228 PolarHBondContact O-NZ 3.26Å; R204-K228 PolarHBondContact NH1-O 3.34Å; R204-K228 PolarHBondContact NH2-O 3.39Å; F206-K228 HydrophobicContact CD1-CB 4.27Å; F206-K228 HydrophobicContact CE1-CB 3.93Å; M225-K228 HydrophobicContact CE-CD 4.32Å; M225-K228 PolarHBondContact O-N 2.98Å; L226-K228 VanDerWaalsContact C-N 3.32Å
229V98.1Very high96.5Very high7 Ų724.4 Ų24.44%0.04213%0.129CC..  trans-83.1157.6-170.9-53.80000112.1F206 A208 M225 E231 L232 V276F206-V229 HydrophobicContact CD1-CB 4.41Å; F206-V229 HydrophobicContact CD1-CG1 3.86Å; F206-V229 HydrophobicContact CD2-CG1 4.24Å; F206-V229 HydrophobicContact CE1-CG1 3.83Å; F206-V229 HydrophobicContact CE2-CG1 4.18Å; F206-V229 HydrophobicContact CG-CB 4.43Å; F206-V229 HydrophobicContact CG-CG1 4.07Å; F206-V229 HydrophobicContact CZ-CG1 3.99Å; F206-V229 WeakPolarHBondContact O-CB 3.21Å; A208-V229 HydrophobicContact CB-CG1 3.75Å; M225-V229 HydrophobicContact CB-CG1 4.21Å; M225-V229 VanDerWaalsContact O-CG2 3.25Å; M225-V229 WeakPolarHBondContact O-CG2 3.3Å; M225-V229 PolarHBondContact O-N 3.04Å; M225-V229 HydrophobicContact SD-CG1 4.25Å; V229-E231 WeakPolarHBondContact CB-O 3.49Å; V229-E231 WeakPolarHBondContact CG2-O 3.46Å; V229-L232 HydrophobicContact CG2-CB 4.28Å; V229-V276 HydrophobicContact CG2-CG1 3.74Å; V229-V276 WeakPolarHBondContact O-CG2 3.08Å
230N98.6Very high96.8Very high52 Ų5222.8 Ų22.828%0.27812%0.12SC..SBendtrans-89.1-31.7165.4-63.1100.6000110.8R204 P205 F206 V276 A277R204-N230 WeakPolarHBondContact CD-OD1 3.49Å; R204-N230 WeakPolarHBondContact CG-OD1 3.42Å; R204-N230 PolarHBondContact NH1-OD1 3.14Å; P205-N230 HydrophobicContact CB-CB 4.29Å; F206-N230 PolarHBondContact N-OD1 3.29Å; F206-N230 PolarHBondContact O-N 3.33Å; N230-V276 WeakPolarHBondContact O-CA 3.18Å; N230-A277 PolarHBondContact O-N 3.02Å
231E98.7Very high97Very high22 Ų2217.3 Ų17.310%0.10310%0.095CC..EExtended strand (participates in β ladder)trans-138142.9-172.9-54.9-171.3-171.300110.1F206 L207 A208 V229 A277 H279 V325 R328F206-E231 PolarHBondContact O-N 2.92Å; L207-E231 WeakPolarHBondContact CA-O 3.24Å; L207-E231 HydrophobicContact CD1-CB 3.82Å; A208-E231 PolarHBondContact N-O 3.34Å; V229-E231 WeakPolarHBondContact CB-O 3.49Å; V229-E231 WeakPolarHBondContact CG2-O 3.46Å; E231-A277 CarbonylContact C-O 3.49Å; E231-A277 WeakPolarHBondContact CA-O 3.26Å; E231-A277 HydrophobicContact CG-CB 4.32Å; E231-H279 IonicContact OE2-NE2 3.96Å; E231-V325 HydrophobicContact CB-CG1 4.38Å; E231-V325 WeakPolarHBondContact OE2-CG1 3.41Å; E231-R328 IonicContact OE1-CZ 3.09Å; E231-R328 VanDerWaalsContact OE1-CZ 3.29Å; E231-R328 IonicContact OE1-NE 2.77Å; E231-R328 PolarHBondContact OE1-NE 3.43Å; E231-R328 IonicContact OE1-NH2 2.73Å; E231-R328 PolarHBondContact OE1-NH2 2.9Å; E231-R328 IonicContact OE2-CZ 3.86Å; E231-R328 VanDerWaalsContact OE2-CZ 3.23Å; E231-R328 IonicContact OE2-NE 3.3Å; E231-R328 PolarHBondContact OE2-NE 2.9Å; E231-R328 IonicContact OE2-NH2 3.61Å; E231-R328 PolarHBondContact OE2-NH2 3.18Å
232L98.6Very high97.2Very high0 Ų017.3 Ų17.30%010%0.095CC..EExtended strand (participates in β ladder)trans-135.2112.5-179176.662.9000109.6A208 L210 I222 L226 V229 I234 V276 A277 I278 H279A208-L232 HydrophobicContact CB-CD1 3.73Å; A208-L232 CarbonylContact O-C 3.56Å; A208-L232 WeakPolarHBondContact O-CA 3.25Å; L210-L232 HydrophobicContact CD1-CD1 3.71Å; L210-L232 HydrophobicContact CG-CD1 3.74Å; I222-L232 HydrophobicContact CG2-CD2 4.39Å; L226-L232 HydrophobicContact CD2-CD2 3.91Å; V229-L232 HydrophobicContact CG2-CB 4.28Å; L232-I234 HydrophobicContact CD2-CD1 4.12Å; L232-I234 HydrophobicContact CD2-CG1 4.23Å; L232-I234 HydrophobicContact CG-CD1 4.44Å; L232-I234 HydrophobicContact CG-CG1 4.03Å; L232-V276 HydrophobicContact CB-CG1 4.22Å; L232-A277 PolarHBondContact N-O 2.83Å; L232-I278 HydrophobicContact CB-CG1 4.32Å; L232-I278 HydrophobicContact CD2-CD1 4.37Å; L232-I278 HydrophobicContact CD2-CG1 4.27Å; L232-I278 CarbonylContact O-C 3.53Å; L232-I278 WeakPolarHBondContact O-CA 3.4Å; L232-H279 PolarHBondContact O-N 2.86Å
233I98.8Very high97.3Very high0 Ų017.3 Ų17.30%010%0.095CC..EExtended strand (participates in β ladder)trans-86.4131.6167.4-74168.6000108.7L207 A208 I209 L210 H279 F322 V325 I326 M338L207-I233 HydrophobicContact CD1-CD1 4.19Å; L207-I233 HydrophobicContact CD1-CG1 4.11Å; L207-I233 HydrophobicContact CD2-CD1 4.28Å; A208-I233 PolarHBondContact O-N 3.31Å; I209-I233 HydrophobicContact CG1-CB 4.5Å; I209-I233 HydrophobicContact CG1-CD1 4.34Å; I209-I233 HydrophobicContact CG2-CB 4.29Å; I209-I233 HydrophobicContact CG2-CG2 4.04Å; L210-I233 PolarHBondContact N-O 2.88Å; I233-H279 HydrophobicContact CG1-CB 3.87Å; I233-F322 HydrophobicContact CD1-CB 4.02Å; I233-F322 HydrophobicContact CD1-CD1 4.27Å; I233-F322 HydrophobicContact CD1-CD2 4.28Å; I233-F322 HydrophobicContact CD1-CG 3.94Å; I233-F322 HydrophobicContact CG1-CD1 4.24Å; I233-F322 HydrophobicContact CG1-CE1 4.4Å; I233-F322 HydrophobicContact CG1-CG 4.31Å; I233-F322 HydrophobicContact CG2-CD2 3.7Å; I233-F322 HydrophobicContact CG2-CE1 4.32Å; I233-F322 HydrophobicContact CG2-CE2 3.39Å; I233-F322 HydrophobicContact CG2-CG 4.29Å; I233-F322 HydrophobicContact CG2-CZ 3.73Å; I233-V325 HydrophobicContact CD1-CB 4.11Å; I233-V325 HydrophobicContact CD1-CG1 3.8Å; I233-V325 HydrophobicContact CG1-CG1 4.09Å; I233-I326 HydrophobicContact CD1-CD1 4.36Å; I233-I326 HydrophobicContact CD1-CG1 3.98Å; I233-M338 HydrophobicContact CG2-CE 4.04Å; I233-M338 HydrophobicContact CG2-SD 4.36Å
234I98.3Very high97.4Very high0 Ų018.3 Ų18.30%010%0.096CC..EExtended strand (participates in β ladder)trans-119.4113.3170.8-59.5179.2000108L210 L232 M238 A239 F242 I278 H279 L280 P281L210-I234 CarbonylContact O-C 3.51Å; L210-I234 WeakPolarHBondContact O-CA 3.43Å; L232-I234 HydrophobicContact CD2-CD1 4.12Å; L232-I234 HydrophobicContact CD2-CG1 4.23Å; L232-I234 HydrophobicContact CG-CD1 4.44Å; L232-I234 HydrophobicContact CG-CG1 4.03Å; I234-M238 HydrophobicContact CG2-CE 3.86Å; I234-M238 HydrophobicContact CG2-CG 3.99Å; I234-M238 HydrophobicContact CG2-SD 4.4Å; I234-A239 HydrophobicContact CG2-CB 4.36Å; I234-F242 HydrophobicContact CD1-CD1 4.36Å; I234-F242 HydrophobicContact CD1-CD2 4.34Å; I234-F242 HydrophobicContact CD1-CE1 3.9Å; I234-F242 HydrophobicContact CD1-CE2 3.86Å; I234-F242 HydrophobicContact CD1-CZ 3.64Å; I234-F242 HydrophobicContact CG2-CD2 4.15Å; I234-F242 HydrophobicContact CG2-CE2 4.29Å; I234-I278 HydrophobicContact CD1-CG2 4.1Å; I234-H279 PolarHBondContact N-O 3.15Å; I234-L280 HydrophobicContact CB-CD2 3.86Å; I234-L280 HydrophobicContact CD1-CD2 4.42Å; I234-L280 HydrophobicContact CG2-CD2 4.3Å; I234-P281 VanDerWaalsContact O-CD 3.31Å; I234-P281 WeakPolarHBondContact O-CD 3.5Å
235G97.7Very high97.6Very high0 Ų020 Ų200%010%0.103CC..  trans-121.7-164.617600000112.9L210 M238L210-G235 PolarHBondContact O-N 3.01Å; G235-M238 WeakPolarHBondContact O-CG 3.38Å
236G96.6Very high97.6Very high11 Ų1122.5 Ų22.511%0.11312%0.116CC..Hα-helixtrans66.1-166.4-17900000113.8G212 M238 A239 M338G212-G236 CarbonylContact O-C 3.46Å; G236-M238 PolarHBondContact O-N 2.75Å; G236-A239 WeakPolarHBondContact O-CB 3.29Å; G236-A239 PolarHBondContact O-N 2.92Å; G236-A239 VanDerWaalsContact O-N 3.14Å; G236-M338 WeakPolarHBondContact CA-O 3.39Å; G236-M338 PolarHBondContact N-O 3.34Å
237G96.2Very high97.6Very high12 Ų1226.7 Ų26.712%0.12414%0.135CC..Hα-helixtrans-56.9-34.5-179.100000114.5G212 A213 A239 Y240G212-G237 WeakPolarHBondContact O-CA 3.1Å; G212-G237 PolarHBondContact O-N 3.42Å; A213-G237 CarbonylContact O-C 3.41Å; G237-A239 PolarHBondContact O-N 3.37Å; G237-Y240 WeakPolarHBondContact O-CD2 3.47Å; G237-Y240 PolarHBondContact O-N 3.2Å
238M96.5Very high97.7Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-67.4-24.8-179.269.5179177.300113.1L210 G212 A213 V215 K218 I234 G235 G236 Y240 T241L210-M238 HydrophobicContact CB-CE 3.51Å; L210-M238 WeakPolarHBondContact O-CE 3.48Å; G212-M238 PolarHBondContact O-N 3.22Å; A213-M238 PolarHBondContact O-N 3.36Å; V215-M238 HydrophobicContact CG2-CB 3.83Å; K218-M238 HydrophobicContact CG-SD 4.33Å; I234-M238 HydrophobicContact CG2-CE 3.86Å; I234-M238 HydrophobicContact CG2-CG 3.99Å; I234-M238 HydrophobicContact CG2-SD 4.4Å; G235-M238 WeakPolarHBondContact O-CG 3.38Å; G236-M238 PolarHBondContact O-N 2.75Å; M238-Y240 VanDerWaalsContact C-N 3.25Å; M238-Y240 PolarHBondContact O-N 2.96Å; M238-T241 WeakPolarHBondContact O-CB 3.36Å; M238-T241 PolarHBondContact O-N 3.24Å; M238-T241 VanDerWaalsContact O-N 3.14Å
239A98.2Very high97.8Very high1 Ų126.3 Ų26.31%0.00814%0.136CC..Hα-helixtrans-60.8-34.5176.600000112I234 G236 G237 T241 F242 L243 P281I234-A239 HydrophobicContact CG2-CB 4.36Å; G236-A239 WeakPolarHBondContact O-CB 3.29Å; G236-A239 PolarHBondContact O-N 2.92Å; G236-A239 VanDerWaalsContact O-N 3.14Å; G237-A239 PolarHBondContact O-N 3.37Å; A239-T241 PolarHBondContact O-N 3.25Å; A239-F242 WeakPolarHBondContact O-CB 3.32Å; A239-F242 PolarHBondContact O-N 2.94Å; A239-L243 VanDerWaalsContact O-CG 3.24Å; A239-L243 WeakPolarHBondContact O-CG 3.49Å; A239-L243 PolarHBondContact O-N 3.49Å; A239-P281 HydrophobicContact CB-CG 4.01Å
240Y98.4Very high97.8Very high8 Ų830.7 Ų30.73%0.03116%0.155CC..Hα-helixtrans-63.9-29.7177.7-61-67.2000113G237 M238 L243 K244 M249 L255 F284 I305 G311G237-Y240 WeakPolarHBondContact O-CD2 3.47Å; G237-Y240 PolarHBondContact O-N 3.2Å; M238-Y240 VanDerWaalsContact C-N 3.25Å; M238-Y240 PolarHBondContact O-N 2.96Å; Y240-L243 HydrophobicContact CD1-CD1 4.22Å; Y240-K244 VanDerWaalsContact O-CB 3.3Å; Y240-K244 WeakPolarHBondContact O-CB 3.2Å; Y240-K244 PolarHBondContact O-N 3.07Å; Y240-M249 HydrophobicContact CD1-CE 4.37Å; Y240-L255 WeakPolarHBondContact CB-O 3.2Å; Y240-F284 HydrophobicContact CD1-CE1 4.45Å; Y240-F284 AromaticContact CE1-CD1 3.51Å; Y240-F284 HydrophobicContact CE1-CD1 3.51Å; Y240-F284 AromaticContact CE1-CE1 3.79Å; Y240-F284 HydrophobicContact CE1-CE1 3.79Å; Y240-F284 HydrophobicContact CE1-CG 4.1Å; Y240-F284 AromaticContact CZ-CD1 3.95Å; Y240-I305 HydrophobicContact CD1-CD1 4.15Å; Y240-I305 HydrophobicContact CE1-CD1 3.68Å; Y240-G311 VanDerWaalsContact CE2-O 3.26Å; Y240-G311 WeakPolarHBondContact CE2-O 3.44Å; Y240-G311 WeakPolarHBondContact OH-CA 3.19Å; Y240-G311 PolarHBondContact OH-O 2.73Å
241T98.3Very high97.8Very high0 Ų028.6 Ų28.60%014%0.144CC..Hα-helixtrans-66.4-43.2173.1-58.80000110.5V215 M238 A239 Q245 F256 D257 A261 V264V215-T241 HydrophobicContact CG2-CG2 4.02Å; M238-T241 WeakPolarHBondContact O-CB 3.36Å; M238-T241 PolarHBondContact O-N 3.24Å; M238-T241 VanDerWaalsContact O-N 3.14Å; A239-T241 PolarHBondContact O-N 3.25Å; T241-Q245 WeakPolarHBondContact O-CG 3.37Å; T241-Q245 PolarHBondContact O-N 3.4Å; T241-F256 HydrophobicContact CG2-CD2 4.26Å; T241-F256 HydrophobicContact CG2-CE2 4.06Å; T241-D257 HydrophobicContact CG2-CB 4.46Å; T241-D257 PolarHBondContact OG1-N 3.13Å; T241-A261 HydrophobicContact CG2-CB 3.89Å; T241-V264 HydrophobicContact CG2-CG2 4.2Å
242F98.4Very high97.8Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-62.9-48.2173.5-81.8-99000112V215 I222 I234 A239 K244 Q245 I246 V264 V267 M268 L280V215-F242 HydrophobicContact CB-CE2 4.46Å; V215-F242 HydrophobicContact CG1-CE2 3.85Å; V215-F242 HydrophobicContact CG1-CZ 4.32Å; V215-F242 HydrophobicContact CG2-CD2 4Å; V215-F242 HydrophobicContact CG2-CE2 3.71Å; I222-F242 HydrophobicContact CD1-CZ 4.48Å; I234-F242 HydrophobicContact CD1-CD1 4.36Å; I234-F242 HydrophobicContact CD1-CD2 4.34Å; I234-F242 HydrophobicContact CD1-CE1 3.9Å; I234-F242 HydrophobicContact CD1-CE2 3.86Å; I234-F242 HydrophobicContact CD1-CZ 3.64Å; I234-F242 HydrophobicContact CG2-CD2 4.15Å; I234-F242 HydrophobicContact CG2-CE2 4.29Å; A239-F242 WeakPolarHBondContact O-CB 3.32Å; A239-F242 PolarHBondContact O-N 2.94Å; F242-K244 VanDerWaalsContact C-N 3.34Å; F242-K244 PolarHBondContact O-N 3.45Å; F242-Q245 PolarHBondContact O-N 3.28Å; F242-I246 WeakPolarHBondContact O-CB 3.45Å; F242-I246 WeakPolarHBondContact O-CG1 3.22Å; F242-I246 PolarHBondContact O-N 3.43Å; F242-V264 HydrophobicContact CD1-CB 4.43Å; F242-V264 HydrophobicContact CD1-CG1 3.6Å; F242-V264 HydrophobicContact CD1-CG2 4.22Å; F242-V264 HydrophobicContact CD2-CG2 4.22Å; F242-V264 HydrophobicContact CE1-CB 4.45Å; F242-V264 HydrophobicContact CE1-CG1 3.96Å; F242-V264 HydrophobicContact CE1-CG2 4.26Å; F242-V264 HydrophobicContact CE2-CG2 4.28Å; F242-V264 HydrophobicContact CG-CG1 4.12Å; F242-V264 HydrophobicContact CG-CG2 4.18Å; F242-V264 HydrophobicContact CZ-CG2 4.28Å; F242-V267 HydrophobicContact CE1-CB 4.3Å; F242-V267 HydrophobicContact CE1-CG1 3.86Å; F242-V267 HydrophobicContact CZ-CB 4.44Å; F242-V267 HydrophobicContact CZ-CG1 3.96Å; F242-M268 HydrophobicContact CD1-SD 4.11Å; F242-M268 HydrophobicContact CE1-SD 4.18Å; F242-L280 HydrophobicContact CB-CD1 3.88Å; F242-L280 HydrophobicContact CB-CD2 3.89Å; F242-L280 HydrophobicContact CD1-CD2 4.34Å; F242-L280 HydrophobicContact CG-CD2 4.16Å
243L98.4Very high97.7Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-62.9-40-177.3-66.1164.4000112.3A239 Y240 H247 M249 L280 P281 F284 I301A239-L243 VanDerWaalsContact O-CG 3.24Å; A239-L243 WeakPolarHBondContact O-CG 3.49Å; A239-L243 PolarHBondContact O-N 3.49Å; Y240-L243 HydrophobicContact CD1-CD1 4.22Å; L243-H247 WeakPolarHBondContact O-CA 3.46Å; L243-H247 WeakPolarHBondContact O-CB 3.32Å; L243-H247 PolarHBondContact O-N 3.2Å; L243-M249 HydrophobicContact CB-CB 4.36Å; L243-M249 HydrophobicContact CB-SD 3.9Å; L243-M249 HydrophobicContact CD1-SD 4.15Å; L243-M249 HydrophobicContact CG-SD 4.45Å; L243-M249 PolarHBondContact O-N 3.24Å; L243-L280 HydrophobicContact CD2-CB 4.06Å; L243-L280 HydrophobicContact CD2-CD1 4.26Å; L243-P281 WeakPolarHBondContact CD2-O 3.48Å; L243-F284 HydrophobicContact CD1-CE1 3.33Å; L243-F284 HydrophobicContact CD1-CZ 3.38Å; L243-I301 HydrophobicContact CD2-CD1 3.98Å; L243-I301 HydrophobicContact CD2-CG1 4.19Å
244K98.1Very high97.7Very high78 Ų7833.5 Ų33.534%0.33918%0.176SC..Hα-helixtrans-63-43174.2-173.7170.4-179.5177.60111.9Y240 F242 N248 I251 F256Y240-K244 VanDerWaalsContact O-CB 3.3Å; Y240-K244 WeakPolarHBondContact O-CB 3.2Å; Y240-K244 PolarHBondContact O-N 3.07Å; F242-K244 VanDerWaalsContact C-N 3.34Å; F242-K244 PolarHBondContact O-N 3.45Å; K244-N248 WeakPolarHBondContact O-CA 3.33Å; K244-N248 PolarHBondContact O-N 2.96Å; K244-I251 HydrophobicContact CB-CD1 4.43Å; K244-I251 HydrophobicContact CB-CG2 4.04Å; K244-I251 HydrophobicContact CD-CD1 3.74Å; K244-I251 HydrophobicContact CD-CG1 4.13Å; K244-F256 HydrophobicContact CD-CD2 3.83Å; K244-F256 HydrophobicContact CD-CE2 3.76Å; K244-F256 HydrophobicContact CD-CZ 4.4Å; K244-F256 HydrophobicContact CG-CE2 4.49Å
245Q98Very high97.6Very high65 Ų6538.1 Ų38.130%0.30420%0.201SC..Hα-helixtrans-75.9-39.9-178.7-66-56.6-63.100113.2T241 F242 A261 V264 H265T241-Q245 WeakPolarHBondContact O-CG 3.37Å; T241-Q245 PolarHBondContact O-N 3.4Å; F242-Q245 PolarHBondContact O-N 3.28Å; Q245-A261 HydrophobicContact CG-CB 3.92Å; Q245-V264 HydrophobicContact CB-CB 4.04Å; Q245-V264 HydrophobicContact CB-CG1 3.74Å; Q245-V264 HydrophobicContact CB-CG2 4.47Å; Q245-V264 HydrophobicContact CG-CB 4.14Å; Q245-V264 HydrophobicContact CG-CG1 4.36Å; Q245-V264 HydrophobicContact CG-CG2 4.21Å; Q245-H265 PolarHBondContact O-CE1 3.12Å
246I97.5Very high97.7Very high52 Ų5242 Ų4227%0.26722%0.218SC..Hα-helixtrans-87.6-35-172.7-59.6-53.1000112.8F242 V264 M268F242-I246 WeakPolarHBondContact O-CB 3.45Å; F242-I246 WeakPolarHBondContact O-CG1 3.22Å; F242-I246 PolarHBondContact O-N 3.43Å; I246-V264 HydrophobicContact CD1-CG1 3.66Å; I246-V264 HydrophobicContact CG1-CG1 3.73Å; I246-M268 HydrophobicContact CD1-CB 4.48Å; I246-M268 HydrophobicContact CD1-CG 3.66Å; I246-M268 HydrophobicContact CG1-CG 4.03Å
247H96.3Very high97.7Very high91 Ų9142 Ų4242%0.42122%0.215SC..Hα-helixtrans-112.72.3-176.5-59.6-62.9000113.6L243 M249 I301L243-H247 WeakPolarHBondContact O-CA 3.46Å; L243-H247 WeakPolarHBondContact O-CB 3.32Å; L243-H247 PolarHBondContact O-N 3.2Å; H247-M249 HydrophobicContact CB-CB 4.36Å; H247-M249 PolarHBondContact O-N 3.14Å; H247-M249 VanDerWaalsContact O-N 3.1Å; H247-I301 HydrophobicContact CB-CG2 3.82Å
248N97Very high97.7Very high147 Ų14744 Ų4479%0.78623%0.231SC*.  trans50.232.7-170.6-164.844.4000112K244K244-N248 WeakPolarHBondContact O-CA 3.33Å; K244-N248 PolarHBondContact O-N 2.96Å
249M97.8Very high97.7Very high7 Ų748 Ų483%0.03426%0.256CS..  trans-70134.4-175.1179.1-177139.300109.7Y240 L243 H247 I251 F284 I301 I305Y240-M249 HydrophobicContact CD1-CE 4.37Å; L243-M249 HydrophobicContact CB-CB 4.36Å; L243-M249 HydrophobicContact CB-SD 3.9Å; L243-M249 HydrophobicContact CD1-SD 4.15Å; L243-M249 HydrophobicContact CG-SD 4.45Å; L243-M249 PolarHBondContact O-N 3.24Å; H247-M249 HydrophobicContact CB-CB 4.36Å; H247-M249 PolarHBondContact O-N 3.14Å; H247-M249 VanDerWaalsContact O-N 3.1Å; M249-I251 HydrophobicContact CE-CG2 4.23Å; M249-I251 HydrophobicContact CG-CG2 4.49Å; M249-I251 WeakPolarHBondContact O-CG2 3.24Å; M249-I251 PolarHBondContact O-N 3.27Å; M249-F284 HydrophobicContact CE-CD2 4Å; M249-F284 HydrophobicContact CE-CE1 4.43Å; M249-F284 HydrophobicContact CE-CE2 3.45Å; M249-F284 VanDerWaalsContact CE-CE2 3.45Å; M249-F284 HydrophobicContact CE-CZ 3.72Å; M249-F284 HydrophobicContact SD-CE2 3.78Å; M249-F284 HydrophobicContact SD-CZ 3.81Å; M249-I301 HydrophobicContact SD-CB 4.34Å; M249-I301 HydrophobicContact SD-CG1 4.11Å; M249-I301 HydrophobicContact SD-CG2 4.47Å; M249-I305 HydrophobicContact CE-CD1 3.94Å; M249-I305 HydrophobicContact CE-CG1 3.89Å
250H97.9Very high97.5Very high98 Ų9847.9 Ų47.945%0.45426%0.256SS..  trans-72.4124.1169.3-166.8-100.8000109.8G304 I305 D307H250-G304 CarbonylContact O-C 3.55Å; H250-G304 VanDerWaalsContact O-CA 3.31Å; H250-G304 WeakPolarHBondContact O-CA 3.13Å; H250-I305 PolarHBondContact CE1-O 3.38Å; H250-I305 PolarHBondContact ND1-O 3.28Å; H250-I305 PolarHBondContact O-N 3.33Å; H250-D307 IonicContact CE1-OD1 3.23Å; H250-D307 PolarHBondContact CE1-OD1 2.88Å; H250-D307 IonicContact NE2-OD1 3.61Å; H250-D307 PolarHBondContact NE2-OD1 2.78Å
251I98.2Very high97.5Very high8 Ų847.9 Ų47.94%0.04126%0.257CS..BIsolated β-bridgetrans-111.42.1-170.165.7170.7000114.3K244 M249 N253 S254 F256K244-I251 HydrophobicContact CB-CD1 4.43Å; K244-I251 HydrophobicContact CB-CG2 4.04Å; K244-I251 HydrophobicContact CD-CD1 3.74Å; K244-I251 HydrophobicContact CD-CG1 4.13Å; M249-I251 HydrophobicContact CE-CG2 4.23Å; M249-I251 HydrophobicContact CG-CG2 4.49Å; M249-I251 WeakPolarHBondContact O-CG2 3.24Å; M249-I251 PolarHBondContact O-N 3.27Å; I251-N253 PolarHBondContact O-N 2.82Å; I251-S254 WeakPolarHBondContact O-CB 3.19Å; I251-S254 PolarHBondContact O-N 2.88Å; I251-S254 PolarHBondContact O-OG 3.3Å; I251-F256 HydrophobicContact CD1-CB 3.88Å; I251-F256 HydrophobicContact CD1-CD2 4.13Å; I251-F256 HydrophobicContact CD1-CG 4.3Å
252G97.8Very high97.4Very high19 Ų1956 Ų5620%0.19630%0.295CS..THydrogen-bonded Turntrans53.1-132-175.100000112.1S254 I305 A306G252-S254 VanDerWaalsContact C-N 3.3Å; G252-S254 PolarHBondContact O-N 2.83Å; G252-I305 PolarHBondContact N-O 3.41Å; G252-A306 WeakPolarHBondContact CA-O 3.41Å
253N97.7Very high97.2Very high98 Ų9857.8 Ų57.852%0.52430%0.304SS..THydrogen-bonded Turntrans-89.714.3177.7-69.6-4.7000113.5I251 G308 W309 M310I251-N253 PolarHBondContact O-N 2.82Å; N253-G308 WeakPolarHBondContact ND2-CA 3.38Å; N253-W309 PolarHBondContact N-O 3.41Å; N253-M310 HydrophobicContact CB-CB 4.31Å; N253-M310 HydrophobicContact CB-CE 4.07Å
254S98.3Very high97.2Very high9 Ų957.8 Ų57.86%0.06330%0.304CS..SBendtrans-64.3158.2176.2-48.30000111.4I251 G252 F256 I305 M310 G311I251-S254 WeakPolarHBondContact O-CB 3.19Å; I251-S254 PolarHBondContact O-N 2.88Å; I251-S254 PolarHBondContact O-OG 3.3Å; G252-S254 VanDerWaalsContact C-N 3.3Å; G252-S254 PolarHBondContact O-N 2.83Å; S254-F256 PolarHBondContact O-N 3.45Å; S254-I305 WeakPolarHBondContact OG-CD1 3.42Å; S254-M310 WeakPolarHBondContact OG-CA 3.39Å; S254-G311 PolarHBondContact OG-N 3.07Å
255L97.5Very high97.1Very high97 Ų9758.7 Ų58.751%0.50831%0.309SS..  trans-58.7126.1-178.4-68.5173.4000111.5A213 Y240A213-L255 HydrophobicContact CB-CD1 3.82Å; Y240-L255 WeakPolarHBondContact CB-O 3.2Å
256F97.7Very high97.1Very high82 Ų8262.3 Ų62.336%0.3632%0.324SS..  trans-126.7124.2174.6-178.2-112.6000110T241 K244 I251 S254 A258 A261T241-F256 HydrophobicContact CG2-CD2 4.26Å; T241-F256 HydrophobicContact CG2-CE2 4.06Å; K244-F256 HydrophobicContact CD-CD2 3.83Å; K244-F256 HydrophobicContact CD-CE2 3.76Å; K244-F256 HydrophobicContact CD-CZ 4.4Å; K244-F256 HydrophobicContact CG-CE2 4.49Å; I251-F256 HydrophobicContact CD1-CB 3.88Å; I251-F256 HydrophobicContact CD1-CD2 4.13Å; I251-F256 HydrophobicContact CD1-CG 4.3Å; S254-F256 PolarHBondContact O-N 3.45Å; F256-A258 HydrophobicContact CD1-CB 4.31Å; F256-A258 HydrophobicContact CE1-CB 3.81Å; F256-A261 HydrophobicContact CE2-CB 3.86Å; F256-A261 HydrophobicContact CZ-CB 3.65Å
257D97Very high97.1Very high10 Ų1060 Ų605%0.05331%0.312CS..  trans-104.594179.1179.521.9000109.5K214 V215 S216 T241 P259 G260 A261K214-D257 HydrophobicContact CB-CB 4.33Å; K214-D257 HydrophobicContact CG-CB 4.43Å; V215-D257 PolarHBondContact N-OD2 3.45Å; S216-D257 VanDerWaalsContact CB-OD2 3.24Å; S216-D257 WeakPolarHBondContact CB-OD2 3.12Å; S216-D257 PolarHBondContact N-OD2 2.9Å; S216-D257 VanDerWaalsContact OG-CG 3.26Å; S216-D257 PolarHBondContact OG-OD1 3.02Å; S216-D257 VanDerWaalsContact OG-OD1 3.07Å; S216-D257 PolarHBondContact OG-OD2 2.72Å; T241-D257 HydrophobicContact CG2-CB 4.46Å; T241-D257 PolarHBondContact OG1-N 3.13Å; D257-P259 WeakPolarHBondContact OD1-CD 3.34Å; D257-G260 CarbonylContact O-C 3.46Å; D257-G260 WeakPolarHBondContact O-CA 3.29Å; D257-G260 PolarHBondContact O-N 3.45Å; D257-G260 PolarHBondContact OD1-N 2.76Å; D257-G260 WeakPolarHBondContact OD2-CA 3.44Å; D257-G260 PolarHBondContact OD2-N 2.88Å; D257-A261 PolarHBondContact O-N 3.49Å
258A96.8Very high97.2Very high55 Ų5558.1 Ų58.146%0.45530%0.304SS..Hα-helixtrans-58.4-46.9-176.200000113.2F256 G260 A261F256-A258 HydrophobicContact CD1-CB 4.31Å; F256-A258 HydrophobicContact CE1-CB 3.81Å; A258-G260 VanDerWaalsContact C-N 3.27Å; A258-G260 PolarHBondContact O-N 2.77Å; A258-A261 WeakPolarHBondContact O-CB 3.29Å; A258-A261 PolarHBondContact O-N 2.9Å
259P95.9Very high97.2Very high82 Ų8257.6 Ų57.653%0.53230%0.297SS..Hα-helixtrans-58.5-37.5170.9-25.133.7000113.4D257D257-P259 WeakPolarHBondContact OD1-CD 3.34Å
260G95Very high97.2Very high0 Ų059 Ų590%031%0.306CS..Hα-helixtrans-66.3-3417600000114.2D257 A258 E262 I263D257-G260 CarbonylContact O-C 3.46Å; D257-G260 WeakPolarHBondContact O-CA 3.29Å; D257-G260 PolarHBondContact O-N 3.45Å; D257-G260 PolarHBondContact OD1-N 2.76Å; D257-G260 WeakPolarHBondContact OD2-CA 3.44Å; D257-G260 PolarHBondContact OD2-N 2.88Å; A258-G260 VanDerWaalsContact C-N 3.27Å; A258-G260 PolarHBondContact O-N 2.77Å; G260-E262 VanDerWaalsContact C-N 3.27Å; G260-E262 PolarHBondContact O-N 3.31Å; G260-I263 WeakPolarHBondContact O-CG1 3.48Å; G260-I263 PolarHBondContact O-N 2.93Å
261A97.1Very high97.2Very high7 Ų754.4 Ų54.46%0.05829%0.285CS..Hα-helixtrans-61.1-35.6-179.300000112.6T241 Q245 F256 D257 A258 I263 V264T241-A261 HydrophobicContact CG2-CB 3.89Å; Q245-A261 HydrophobicContact CG-CB 3.92Å; F256-A261 HydrophobicContact CE2-CB 3.86Å; F256-A261 HydrophobicContact CZ-CB 3.65Å; D257-A261 PolarHBondContact O-N 3.49Å; A258-A261 WeakPolarHBondContact O-CB 3.29Å; A258-A261 PolarHBondContact O-N 2.9Å; A261-I263 PolarHBondContact O-N 3.02Å; A261-I263 VanDerWaalsContact O-N 3.11Å; A261-V264 PolarHBondContact O-N 3.19Å
262E96.2Very high97.2Very high170 Ų17062.2 Ų62.279%0.79432%0.319SS*.THydrogen-bonded Turntrans-60.3-23.4-178.1-63.1-179.2-176.900113.5G260G260-E262 VanDerWaalsContact C-N 3.27Å; G260-E262 PolarHBondContact O-N 3.31Å
263I95.2Very high97.2Very high38 Ų3865.3 Ų65.320%0.19534%0.343CS..THydrogen-bonded Turntrans-105-7.1-177.166.1143.4000114.1V215 I219 G260 A261 H265 K266 V267V215-I263 HydrophobicContact CG1-CD1 4.08Å; V215-I263 HydrophobicContact CG1-CG1 4.41Å; I219-I263 HydrophobicContact CB-CD1 4.13Å; I219-I263 HydrophobicContact CD1-CD1 3.61Å; I219-I263 HydrophobicContact CD1-CG1 4.2Å; I219-I263 HydrophobicContact CG1-CD1 3.46Å; I219-I263 VanDerWaalsContact CG1-CD1 3.46Å; I219-I263 HydrophobicContact CG1-CG1 4.47Å; I219-I263 HydrophobicContact CG2-CD1 3.84Å; G260-I263 WeakPolarHBondContact O-CG1 3.48Å; G260-I263 PolarHBondContact O-N 2.93Å; A261-I263 PolarHBondContact O-N 3.02Å; A261-I263 VanDerWaalsContact O-N 3.11Å; I263-H265 PolarHBondContact O-N 3.41Å; I263-K266 WeakPolarHBondContact O-CB 3.2Å; I263-K266 PolarHBondContact O-N 3.25Å; I263-V267 HydrophobicContact CD1-CG2 3.91Å; I263-V267 WeakPolarHBondContact O-CG2 3.21Å; I263-V267 PolarHBondContact O-N 3.48Å
264V97.6Very high97.3Very high0 Ų064.5 Ų64.50%033%0.334CS..Hα-helixtrans-58.3-48.6-171.6163.90000111.7T241 F242 Q245 I246 A261 K266 V267 M268T241-V264 HydrophobicContact CG2-CG2 4.2Å; F242-V264 HydrophobicContact CD1-CB 4.43Å; F242-V264 HydrophobicContact CD1-CG1 3.6Å; F242-V264 HydrophobicContact CD1-CG2 4.22Å; F242-V264 HydrophobicContact CD2-CG2 4.22Å; F242-V264 HydrophobicContact CE1-CB 4.45Å; F242-V264 HydrophobicContact CE1-CG1 3.96Å; F242-V264 HydrophobicContact CE1-CG2 4.26Å; F242-V264 HydrophobicContact CE2-CG2 4.28Å; F242-V264 HydrophobicContact CG-CG1 4.12Å; F242-V264 HydrophobicContact CG-CG2 4.18Å; F242-V264 HydrophobicContact CZ-CG2 4.28Å; Q245-V264 HydrophobicContact CB-CB 4.04Å; Q245-V264 HydrophobicContact CB-CG1 3.74Å; Q245-V264 HydrophobicContact CB-CG2 4.47Å; Q245-V264 HydrophobicContact CG-CB 4.14Å; Q245-V264 HydrophobicContact CG-CG1 4.36Å; Q245-V264 HydrophobicContact CG-CG2 4.21Å; I246-V264 HydrophobicContact CD1-CG1 3.66Å; I246-V264 HydrophobicContact CG1-CG1 3.73Å; A261-V264 PolarHBondContact O-N 3.19Å; V264-K266 VanDerWaalsContact C-N 3.32Å; V264-K266 PolarHBondContact O-N 2.81Å; V264-V267 WeakPolarHBondContact O-CB 3.43Å; V264-V267 PolarHBondContact O-N 3.42Å; V264-V267 VanDerWaalsContact O-N 3.17Å; V264-M268 WeakPolarHBondContact O-CG 3.49Å; V264-M268 PolarHBondContact O-N 3.09Å
265H97.4Very high97.2Very high97 Ų9770.9 Ų70.945%0.44937%0.368SS..Hα-helixtrans-61.1-42.3179.6-71.2-69.8000111.7Q245 I263 V267 M268 E269Q245-H265 PolarHBondContact O-CE1 3.12Å; I263-H265 PolarHBondContact O-N 3.41Å; H265-V267 VanDerWaalsContact C-N 3.32Å; H265-V267 PolarHBondContact O-N 2.91Å; H265-M268 PolarHBondContact O-N 3.15Å; H265-E269 WeakPolarHBondContact O-CB 3.33Å; H265-E269 VanDerWaalsContact O-CG 3.32Å; H265-E269 WeakPolarHBondContact O-CG 3.49Å; H265-E269 PolarHBondContact O-N 2.78Å
266K96.9Very high97.3Very high142 Ų14266.8 Ų66.862%0.61735%0.347SS*.Hα-helixtrans-61.3-39.9176-177.3179.5179-1800112.1I263 V264 T270I263-K266 WeakPolarHBondContact O-CB 3.2Å; I263-K266 PolarHBondContact O-N 3.25Å; V264-K266 VanDerWaalsContact C-N 3.32Å; V264-K266 PolarHBondContact O-N 2.81Å; K266-T270 VanDerWaalsContact O-CB 3.3Å; K266-T270 WeakPolarHBondContact O-CB 3.37Å; K266-T270 PolarHBondContact O-N 2.9Å; K266-T270 PolarHBondContact O-OG1 2.97Å
267V97.6Very high97.3Very high3 Ų364.9 Ų64.92%0.01835%0.346CS..Hα-helixtrans-61.7-48.1174.8167.70000110.6I222 L226 F242 I263 V264 H265 E269 T270 A271 I278I222-V267 HydrophobicContact CG2-CG1 3.63Å; I222-V267 HydrophobicContact CG2-CG2 4.1Å; L226-V267 HydrophobicContact CD1-CG1 4.13Å; F242-V267 HydrophobicContact CE1-CB 4.3Å; F242-V267 HydrophobicContact CE1-CG1 3.86Å; F242-V267 HydrophobicContact CZ-CB 4.44Å; F242-V267 HydrophobicContact CZ-CG1 3.96Å; I263-V267 HydrophobicContact CD1-CG2 3.91Å; I263-V267 WeakPolarHBondContact O-CG2 3.21Å; I263-V267 PolarHBondContact O-N 3.48Å; V264-V267 WeakPolarHBondContact O-CB 3.43Å; V264-V267 PolarHBondContact O-N 3.42Å; V264-V267 VanDerWaalsContact O-N 3.17Å; H265-V267 VanDerWaalsContact C-N 3.32Å; H265-V267 PolarHBondContact O-N 2.91Å; V267-E269 PolarHBondContact O-N 3.06Å; V267-T270 PolarHBondContact O-N 3.29Å; V267-A271 WeakPolarHBondContact O-CB 3.43Å; V267-A271 PolarHBondContact O-N 3.09Å; V267-I278 HydrophobicContact CG1-CD1 4.09Å
268M98Very high97.4Very high51 Ų5165.9 Ų65.925%0.25135%0.351SS..Hα-helixtrans-63.3-41.1178.8-64.3-57.2-67.500112.5F242 I246 V264 H265 A271 K272 I278F242-M268 HydrophobicContact CD1-SD 4.11Å; F242-M268 HydrophobicContact CE1-SD 4.18Å; I246-M268 HydrophobicContact CD1-CB 4.48Å; I246-M268 HydrophobicContact CD1-CG 3.66Å; I246-M268 HydrophobicContact CG1-CG 4.03Å; V264-M268 WeakPolarHBondContact O-CG 3.49Å; V264-M268 PolarHBondContact O-N 3.09Å; H265-M268 PolarHBondContact O-N 3.15Å; M268-A271 PolarHBondContact O-N 3.16Å; M268-K272 WeakPolarHBondContact O-CB 3.21Å; M268-K272 PolarHBondContact O-N 3.32Å; M268-I278 HydrophobicContact CE-CB 4.21Å; M268-I278 HydrophobicContact CE-CD1 4.43Å; M268-I278 HydrophobicContact CE-CG2 4.37Å; M268-I278 HydrophobicContact SD-CB 4.22Å; M268-I278 HydrophobicContact SD-CD1 3.58Å; M268-I278 VanDerWaalsContact SD-CD1 3.58Å; M268-I278 HydrophobicContact SD-CG1 4.46Å; M268-I278 HydrophobicContact SD-CG2 4.05Å
269E97.9Very high97.5Very high136 Ų13665.3 Ų65.364%0.63634%0.339SS*.Hα-helixtrans-63.6-44.7174.9-73.1176.6152.400111.9H265 V267 A271 K272 A273H265-E269 WeakPolarHBondContact O-CB 3.33Å; H265-E269 VanDerWaalsContact O-CG 3.32Å; H265-E269 WeakPolarHBondContact O-CG 3.49Å; H265-E269 PolarHBondContact O-N 2.78Å; V267-E269 PolarHBondContact O-N 3.06Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3Å; E269-K272 PolarHBondContact O-N 3.27Å; E269-A273 WeakPolarHBondContact O-CB 3.2Å; E269-A273 PolarHBondContact O-N 3.2Å
270T98Very high97.6Very high36 Ų3662.5 Ų62.522%0.22132%0.319CS..Hα-helixtrans-61.9-43.3177.3-58.60000110.9L226 K266 V267 A273 K274L226-T270 HydrophobicContact CD1-CG2 3.91Å; K266-T270 VanDerWaalsContact O-CB 3.3Å; K266-T270 WeakPolarHBondContact O-CB 3.37Å; K266-T270 PolarHBondContact O-N 2.9Å; K266-T270 PolarHBondContact O-OG1 2.97Å; V267-T270 PolarHBondContact O-N 3.29Å; T270-A273 PolarHBondContact O-N 3.44Å; T270-K274 HydrophobicContact CG2-CD 4.06Å; T270-K274 WeakPolarHBondContact O-CB 3.45Å; T270-K274 WeakPolarHBondContact O-CG 3.31Å; T270-K274 PolarHBondContact O-N 3.2Å
271A98.4Very high97.8Very high2 Ų262.6 Ų62.62%0.01732%0.32CS..Hα-helixtrans-61.3-46.8176.500000111.7L226 V267 M268 E269 A273 K274 N275 V276 I278L226-A271 HydrophobicContact CD1-CB 4.36Å; L226-A271 HydrophobicContact CD2-CB 3.68Å; V267-A271 WeakPolarHBondContact O-CB 3.43Å; V267-A271 PolarHBondContact O-N 3.09Å; M268-A271 PolarHBondContact O-N 3.16Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3Å; A271-A273 PolarHBondContact O-N 2.9Å; A271-K274 CarbonylContact O-C 3.58Å; A271-K274 PolarHBondContact O-N 2.94Å; A271-K274 VanDerWaalsContact O-N 3.17Å; A271-N275 PolarHBondContact O-N 2.92Å; A271-V276 HydrophobicContact CB-CB 4.12Å; A271-V276 PolarHBondContact O-N 2.83Å; A271-I278 HydrophobicContact CB-CD1 3.38Å; A271-I278 HydrophobicContact CB-CG1 3.73Å
272K97.9Very high97.9Very high172 Ų17263.8 Ų63.875%0.74833%0.327SS*.Hα-helixtrans-59.2-45.3175.5-176.3177.6177.2-179.20111.9M268 E269 K274 N275M268-K272 WeakPolarHBondContact O-CB 3.21Å; M268-K272 PolarHBondContact O-N 3.32Å; E269-K272 PolarHBondContact O-N 3.27Å; K272-K274 PolarHBondContact O-N 2.91Å; K272-N275 PolarHBondContact O-N 3.05Å
273A98.3Very high98Very high84 Ų8456 Ų5669%0.69429%0.291SS*.Hα-helixtrans-63-30.3178.500000113E269 T270 A271E269-A273 WeakPolarHBondContact O-CB 3.2Å; E269-A273 PolarHBondContact O-N 3.2Å; T270-A273 PolarHBondContact O-N 3.44Å; A271-A273 PolarHBondContact O-N 2.9Å
274K98Very high98.1Very high81 Ų8154.3 Ų54.335%0.35228%0.282SS..THydrogen-bonded Turntrans-94.86178.6-65.5-178.5-174176.80113.9L226 D227 T270 A271 K272 V276L226-K274 HydrophobicContact CB-CD 4.43Å; L226-K274 WeakPolarHBondContact O-CD 3.39Å; D227-K274 WeakPolarHBondContact OD1-CE 3.19Å; D227-K274 IonicContact OD1-NZ 3.95Å; D227-K274 PolarHBondContact OD1-NZ 2.74Å; D227-K274 IonicContact OD2-NZ 3.59Å; D227-K274 PolarHBondContact OD2-NZ 3.28Å; D227-K274 VanDerWaalsContact OD2-NZ 3.17Å; T270-K274 HydrophobicContact CG2-CD 4.06Å; T270-K274 WeakPolarHBondContact O-CB 3.45Å; T270-K274 WeakPolarHBondContact O-CG 3.31Å; T270-K274 PolarHBondContact O-N 3.2Å; A271-K274 CarbonylContact O-C 3.58Å; A271-K274 PolarHBondContact O-N 2.94Å; A271-K274 VanDerWaalsContact O-N 3.17Å; K272-K274 PolarHBondContact O-N 2.91Å; K274-V276 HydrophobicContact CB-CG2 3.96Å; K274-V276 PolarHBondContact O-N 3.45Å
275N98Very high98.2Very high144 Ų14455.2 Ų55.277%0.7729%0.287SS*.THydrogen-bonded Turntrans54.936.9-174.3-58.8-54.1000113.6A271 K272A271-N275 PolarHBondContact O-N 2.92Å; K272-N275 PolarHBondContact O-N 3.05Å
276V98.6Very high98.2Very high11 Ų1150.6 Ų50.67%0.06727%0.266CS..  trans-93.1123.8173.5-177.90000109.4L226 V229 N230 L232 A271 K274 I278L226-V276 HydrophobicContact CD2-CB 4.07Å; L226-V276 HydrophobicContact CD2-CG1 3.79Å; L226-V276 HydrophobicContact CD2-CG2 4.34Å; L226-V276 WeakPolarHBondContact O-CG2 3.5Å; V229-V276 HydrophobicContact CG2-CG1 3.74Å; V229-V276 WeakPolarHBondContact O-CG2 3.08Å; N230-V276 WeakPolarHBondContact O-CA 3.18Å; L232-V276 HydrophobicContact CB-CG1 4.22Å; A271-V276 HydrophobicContact CB-CB 4.12Å; A271-V276 PolarHBondContact O-N 2.83Å; K274-V276 HydrophobicContact CB-CG2 3.96Å; K274-V276 PolarHBondContact O-N 3.45Å; V276-I278 PolarHBondContact O-N 2.57Å
277A98.6Very high98.3Very high42 Ų4243.9 Ų43.935%0.34724%0.237SC..EExtended strand (participates in β ladder)trans-79.6115.9173.200000110.1N230 E231 L232N230-A277 PolarHBondContact O-N 3.02Å; E231-A277 CarbonylContact C-O 3.49Å; E231-A277 WeakPolarHBondContact CA-O 3.26Å; E231-A277 HydrophobicContact CG-CB 4.32Å; L232-A277 PolarHBondContact N-O 2.83Å
278I98.5Very high98.3Very high31 Ų3146.2 Ų46.216%0.15925%0.249CC..EExtended strand (participates in β ladder)trans-92.4127.6171.1-64.5-177.8000109.3L226 L232 I234 V267 M268 A271 V276 L280L226-I278 HydrophobicContact CD2-CD1 4.35Å; L232-I278 HydrophobicContact CB-CG1 4.32Å; L232-I278 HydrophobicContact CD2-CD1 4.37Å; L232-I278 HydrophobicContact CD2-CG1 4.27Å; L232-I278 CarbonylContact O-C 3.53Å; L232-I278 WeakPolarHBondContact O-CA 3.4Å; I234-I278 HydrophobicContact CD1-CG2 4.1Å; V267-I278 HydrophobicContact CG1-CD1 4.09Å; M268-I278 HydrophobicContact CE-CB 4.21Å; M268-I278 HydrophobicContact CE-CD1 4.43Å; M268-I278 HydrophobicContact CE-CG2 4.37Å; M268-I278 HydrophobicContact SD-CB 4.22Å; M268-I278 HydrophobicContact SD-CD1 3.58Å; M268-I278 VanDerWaalsContact SD-CD1 3.58Å; M268-I278 HydrophobicContact SD-CG1 4.46Å; M268-I278 HydrophobicContact SD-CG2 4.05Å; A271-I278 HydrophobicContact CB-CD1 3.38Å; A271-I278 HydrophobicContact CB-CG1 3.73Å; V276-I278 PolarHBondContact O-N 2.57Å; I278-L280 HydrophobicContact CG2-CD2 4.04Å; I278-L280 HydrophobicContact CG2-CG 4.22Å
279H98.7Very high98.3Very high43 Ų4347.8 Ų47.820%0.19926%0.255CS..EExtended strand (participates in β ladder)trans-109.6116.7177.5-60.1-79.3000109.6E231 L232 I233 I234 F322E231-H279 IonicContact OE2-NE2 3.96Å; L232-H279 PolarHBondContact O-N 2.86Å; I233-H279 HydrophobicContact CG1-CB 3.87Å; I234-H279 PolarHBondContact N-O 3.15Å; H279-F322 HydrophobicContact CB-CD1 4.31Å; H279-F322 HydrophobicContact CB-CE1 3.84Å
280L98.5Very high98.3Very high22 Ų2247.3 Ų47.312%0.11525%0.251CS..  trans-108.4153.2175.2-59.4179.3000109.9I234 F242 L243 I278I234-L280 HydrophobicContact CB-CD2 3.86Å; I234-L280 HydrophobicContact CD1-CD2 4.42Å; I234-L280 HydrophobicContact CG2-CD2 4.3Å; F242-L280 HydrophobicContact CB-CD1 3.88Å; F242-L280 HydrophobicContact CB-CD2 3.89Å; F242-L280 HydrophobicContact CD1-CD2 4.34Å; F242-L280 HydrophobicContact CG-CD2 4.16Å; L243-L280 HydrophobicContact CD2-CB 4.06Å; L243-L280 HydrophobicContact CD2-CD1 4.26Å; I278-L280 HydrophobicContact CG2-CD2 4.04Å; I278-L280 HydrophobicContact CG2-CG 4.22Å
281P98.5Very high98.2Very high3 Ų346.8 Ų46.82%0.01925%0.25CS..  trans-63.9144.1175.3-21.134.8000111.7I234 A239 L243 F284 I314 T318 F322I234-P281 VanDerWaalsContact O-CD 3.31Å; I234-P281 WeakPolarHBondContact O-CD 3.5Å; A239-P281 HydrophobicContact CB-CG 4.01Å; L243-P281 WeakPolarHBondContact CD2-O 3.48Å; P281-F284 HydrophobicContact CB-CD1 4.22Å; P281-F284 HydrophobicContact CB-CE1 3.67Å; P281-F284 HydrophobicContact CB-CZ 4.42Å; P281-I314 HydrophobicContact CB-CG2 4Å; P281-I314 HydrophobicContact CG-CG2 3.82Å; P281-T318 HydrophobicContact CB-CG2 3.7Å; P281-T318 HydrophobicContact CG-CG2 4.29Å; P281-F322 HydrophobicContact CG-CE2 4.36Å; P281-F322 HydrophobicContact CG-CZ 4.02Å
282V98.5Very high98Very high32 Ų3251.6 Ų51.619%0.19428%0.276CS..SBendtrans-108.5-16.9-179.8-63.60000113.1T300 I301 K317 T318V282-T300 WeakPolarHBondContact O-CA 3.33Å; V282-I301 HydrophobicContact CB-CD1 4.31Å; V282-I301 HydrophobicContact CG1-CD1 4.18Å; V282-I301 PolarHBondContact O-N 2.81Å; V282-K317 HydrophobicContact CG2-CB 4.14Å; V282-K317 HydrophobicContact CG2-CD 3.87Å; V282-K317 HydrophobicContact CG2-CG 3.84Å; V282-T318 PolarHBondContact N-OG1 2.83Å
283D98.6Very high97.8Very high7 Ų748.5 Ų48.54%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-147.516117570-21000111.3I298 R299 T300 G315 P316 K317 T318D283-I298 HydrophobicContact CB-CG2 4.41Å; D283-R299 CarbonylContact C-O 3.55Å; D283-R299 WeakPolarHBondContact CA-O 3.49Å; D283-R299 VanDerWaalsContact CB-O 3.28Å; D283-R299 WeakPolarHBondContact CB-O 3.29Å; D283-T300 HydrophobicContact CB-CG2 4.3Å; D283-G315 VanDerWaalsContact CG-CA 3.43Å; D283-G315 PolarHBondContact O-N 3Å; D283-G315 VanDerWaalsContact OD1-CA 3.27Å; D283-G315 WeakPolarHBondContact OD1-CA 3.03Å; D283-G315 VanDerWaalsContact OD2-C 3.31Å; D283-P316 WeakPolarHBondContact OD2-CD 3.47Å; D283-K317 PolarHBondContact OD1-N 3.42Å; D283-K317 VanDerWaalsContact OD2-CB 3.31Å; D283-K317 WeakPolarHBondContact OD2-CB 3.45Å; D283-K317 PolarHBondContact OD2-N 2.87Å; D283-T318 PolarHBondContact N-OG1 3.4Å; D283-T318 VanDerWaalsContact N-OG1 3.11Å; D283-T318 PolarHBondContact O-OG1 3.22Å; D283-T318 VanDerWaalsContact O-OG1 3.13Å; D283-T318 VanDerWaalsContact OD1-CB 3.25Å; D283-T318 WeakPolarHBondContact OD1-CB 3.43Å; D283-T318 PolarHBondContact OD1-N 3.39Å; D283-T318 PolarHBondContact OD1-OG1 3.17Å
284F98.5Very high97.8Very high1 Ų144.5 Ų44.50%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-144141.2-163.3-41.6-82.9000110.5Y240 L243 M249 P281 T286 I298 R299 I301 D313Y240-F284 HydrophobicContact CD1-CE1 4.45Å; Y240-F284 AromaticContact CE1-CD1 3.51Å; Y240-F284 HydrophobicContact CE1-CD1 3.51Å; Y240-F284 AromaticContact CE1-CE1 3.79Å; Y240-F284 HydrophobicContact CE1-CE1 3.79Å; Y240-F284 HydrophobicContact CE1-CG 4.1Å; Y240-F284 AromaticContact CZ-CD1 3.95Å; L243-F284 HydrophobicContact CD1-CE1 3.33Å; L243-F284 HydrophobicContact CD1-CZ 3.38Å; M249-F284 HydrophobicContact CE-CD2 4Å; M249-F284 HydrophobicContact CE-CE1 4.43Å; M249-F284 HydrophobicContact CE-CE2 3.45Å; M249-F284 VanDerWaalsContact CE-CE2 3.45Å; M249-F284 HydrophobicContact CE-CZ 3.72Å; M249-F284 HydrophobicContact SD-CE2 3.78Å; M249-F284 HydrophobicContact SD-CZ 3.81Å; P281-F284 HydrophobicContact CB-CD1 4.22Å; P281-F284 HydrophobicContact CB-CE1 3.67Å; P281-F284 HydrophobicContact CB-CZ 4.42Å; F284-T286 HydrophobicContact CB-CG2 4Å; F284-I298 VanDerWaalsContact O-CA 3.31Å; F284-I298 WeakPolarHBondContact O-CA 3.37Å; F284-R299 HydrophobicContact CD2-CB 4.34Å; F284-R299 WeakPolarHBondContact CD2-O 3.29Å; F284-R299 PolarHBondContact N-O 2.85Å; F284-R299 PolarHBondContact O-N 2.84Å; F284-I301 HydrophobicContact CE2-CG1 4.33Å; F284-I301 HydrophobicContact CZ-CG1 4.2Å; F284-D313 WeakPolarHBondContact CA-O 3.33Å
285V98.5Very high97.8Very high20 Ų2045.7 Ų45.712%0.12124%0.244CC..EExtended strand (participates in β ladder)trans-83.8116.4159.8-170.70000107.4T296 I298 L312 D313 F346V285-T296 HydrophobicContact CG1-CG2 4.48Å; V285-I298 HydrophobicContact CB-CD1 4.31Å; V285-I298 HydrophobicContact CG2-CD1 3.78Å; V285-L312 PolarHBondContact O-N 3.06Å; V285-D313 HydrophobicContact CB-CB 4.06Å; V285-D313 HydrophobicContact CG2-CB 4.16Å; V285-D313 PolarHBondContact N-O 3.47Å; V285-D313 PolarHBondContact O-N 2.85Å; V285-F346 HydrophobicContact CG1-CD1 4.01Å; V285-F346 HydrophobicContact CG1-CE1 4.07Å
286T98.5Very high97.8Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-111.3156.4-179.162.60000111.6F284 T296 E297 R299 I305 M310F284-T286 HydrophobicContact CB-CG2 4Å; T286-T296 WeakPolarHBondContact O-CA 3.28Å; T286-E297 PolarHBondContact N-O 3.26Å; T286-E297 PolarHBondContact O-N 3.27Å; T286-E297 VanDerWaalsContact O-N 3.09Å; T286-E297 WeakPolarHBondContact OG1-CG 3.21Å; T286-E297 PolarHBondContact OG1-O 3.22Å; T286-R299 HydrophobicContact CG2-CB 3.86Å; T286-R299 HydrophobicContact CG2-CG 3.74Å; T286-I305 HydrophobicContact CG2-CD1 3.77Å; T286-I305 HydrophobicContact CG2-CG1 3.8Å; T286-I305 HydrophobicContact CG2-CG2 4.04Å; T286-M310 CarbonylContact C-O 3.54Å; T286-M310 WeakPolarHBondContact CA-O 3.39Å; T286-M310 WeakPolarHBondContact CB-O 3.3Å
287A98.5Very high97.8Very high0 Ų043.9 Ų43.90%024%0.236CC..EExtended strand (participates in β ladder)trans-135.2150.5-178.700000112.2K289 A294 N295 W309 M310 L312 F346A287-K289 VanDerWaalsContact C-N 3.32Å; A287-K289 WeakPolarHBondContact CB-O 3.29Å; A287-A294 HydrophobicContact CB-CB 3.85Å; A287-N295 VanDerWaalsContact CA-O 3.29Å; A287-N295 WeakPolarHBondContact CA-O 3.39Å; A287-W309 CarbonylContact O-C 3.56Å; A287-W309 VanDerWaalsContact O-CA 3.26Å; A287-W309 WeakPolarHBondContact O-CA 3.35Å; A287-M310 PolarHBondContact N-O 2.73Å; A287-M310 PolarHBondContact O-N 3.46Å; A287-L312 HydrophobicContact CB-CD1 3.63Å; A287-L312 HydrophobicContact CB-CG 4.34Å; A287-F346 HydrophobicContact CB-CE1 3.97Å; A287-F346 HydrophobicContact CB-CZ 3.59Å
288D98Very high97.8Very high53 Ų5346 Ų4628%0.28324%0.24SC..SBendtrans-80.3-12.2175.562.8-12.1000113.5N295 W309D288-N295 PolarHBondContact N-O 3.36Å; D288-N295 PolarHBondContact OD1-N 3.36Å; D288-N295 WeakPolarHBondContact OD2-CB 3.29Å; D288-N295 PolarHBondContact OD2-ND2 3.08Å; D288-W309 HydrophobicContact CB-CD2 4.06Å; D288-W309 HydrophobicContact CB-CE3 4.25Å; D288-W309 HydrophobicContact CB-CH2 4.07Å; D288-W309 HydrophobicContact CB-CZ2 3.88Å; D288-W309 HydrophobicContact CB-CZ3 4.24Å
289K97.7Very high97.7Very high83 Ų8347.6 Ų47.636%0.36124%0.244SC..SBendtrans-156.3159.9173.758.6179.31711660111.3A287 A291 D293 A294A287-K289 VanDerWaalsContact C-N 3.32Å; A287-K289 WeakPolarHBondContact CB-O 3.29Å; K289-A291 HydrophobicContact CD-CB 4.09Å; K289-A291 HydrophobicContact CG-CB 4.12Å; K289-A291 PolarHBondContact O-N 3.41Å; K289-A291 VanDerWaalsContact O-N 3.12Å; K289-D293 WeakPolarHBondContact CE-OD1 3.49Å; K289-D293 IonicContact NZ-OD1 3.4Å; K289-D293 PolarHBondContact NZ-OD1 3.45Å; K289-D293 IonicContact NZ-OD2 2.72Å; K289-D293 PolarHBondContact NZ-OD2 3.08Å; K289-A294 HydrophobicContact CG-CB 3.66Å; K289-A294 VanDerWaalsContact O-CB 3.28Å; K289-A294 WeakPolarHBondContact O-CB 3.29Å
290F96.9Very high97.7Very high127 Ų12747.9 Ų47.956%0.55725%0.249SC*.SBendtrans-8475.9173.8-165.3-87.5000110.5M310 L312 V340 M343F290-M310 HydrophobicContact CB-SD 4.17Å; F290-L312 HydrophobicContact CD2-CD1 4.2Å; F290-L312 HydrophobicContact CD2-CD2 3.74Å; F290-L312 HydrophobicContact CE2-CD2 3.94Å; F290-V340 HydrophobicContact CE1-CG1 4.48Å; F290-V340 HydrophobicContact CE2-CG1 4.13Å; F290-V340 HydrophobicContact CE2-CG2 3.7Å; F290-V340 HydrophobicContact CZ-CG1 3.67Å; F290-V340 HydrophobicContact CZ-CG2 4.06Å; F290-M343 HydrophobicContact CD1-CE 3.65Å; F290-M343 HydrophobicContact CE1-CE 3.46Å; F290-M343 VanDerWaalsContact CE1-CE 3.46Å; F290-M343 HydrophobicContact CG-CE 4.44Å; F290-M343 HydrophobicContact CZ-CE 4.15Å
291A96.1Very high97.7Very high25 Ų2548.1 Ų48.121%0.20725%0.25CS..SBendtrans-156.3155.1-179.700000112.2K289 D293 A294K289-A291 HydrophobicContact CD-CB 4.09Å; K289-A291 HydrophobicContact CG-CB 4.12Å; K289-A291 PolarHBondContact O-N 3.41Å; K289-A291 VanDerWaalsContact O-N 3.12Å; A291-D293 VanDerWaalsContact CB-OD1 3.28Å; A291-D293 WeakPolarHBondContact CB-OD1 3.34Å; A291-D293 PolarHBondContact O-N 2.78Å; A291-A294 VanDerWaalsContact O-CB 3.25Å; A291-A294 WeakPolarHBondContact O-CB 3.29Å; A291-A294 PolarHBondContact O-N 3.43Å; A291-A294 VanDerWaalsContact O-N 3.13Å
292D94Very high97.6Very high103 Ų10355.9 Ų55.955%0.55129%0.286SS*.THydrogen-bonded Turntrans-57.8-32.6177.5-68.4-60.8000113M343 K345D292-M343 WeakPolarHBondContact OD1-CA 3.49Å; D292-M343 VanDerWaalsContact OD1-CB 3.25Å; D292-M343 WeakPolarHBondContact OD1-CB 3.49Å; D292-M343 WeakPolarHBondContact OD1-CG 3.4Å; D292-K345 WeakPolarHBondContact O-CD 3.3Å; D292-K345 VanDerWaalsContact O-CE 3.28Å; D292-K345 WeakPolarHBondContact O-CE 3.42Å; D292-K345 PolarHBondContact O-NZ 3.28Å
293D95.3Very high97.5Very high106 Ų10657.7 Ų57.757%0.56730%0.3SS*.THydrogen-bonded Turntrans-91.79.8-177.474.9-32.9000113.7K289 A291K289-D293 WeakPolarHBondContact CE-OD1 3.49Å; K289-D293 IonicContact NZ-OD1 3.4Å; K289-D293 PolarHBondContact NZ-OD1 3.45Å; K289-D293 IonicContact NZ-OD2 2.72Å; K289-D293 PolarHBondContact NZ-OD2 3.08Å; A291-D293 VanDerWaalsContact CB-OD1 3.28Å; A291-D293 WeakPolarHBondContact CB-OD1 3.34Å; A291-D293 PolarHBondContact O-N 2.78Å
294A97Very high97.5Very high1 Ų157.5 Ų57.51%0.00830%0.3CS..  trans-60.2148.8178.700000113.4A287 K289 A291 K345 F346A287-A294 HydrophobicContact CB-CB 3.85Å; K289-A294 HydrophobicContact CG-CB 3.66Å; K289-A294 VanDerWaalsContact O-CB 3.28Å; K289-A294 WeakPolarHBondContact O-CB 3.29Å; A291-A294 VanDerWaalsContact O-CB 3.25Å; A291-A294 WeakPolarHBondContact O-CB 3.29Å; A291-A294 PolarHBondContact O-N 3.43Å; A291-A294 VanDerWaalsContact O-N 3.13Å; A294-K345 PolarHBondContact O-NZ 2.93Å; A294-F346 HydrophobicContact CB-CZ 4.48Å
295N98.2Very high97.4Very high105 Ų10557.5 Ų57.556%0.56130%0.3SS*.  trans-72.3142.6165.5-63.9-60.9000108.6A287 D288 W309A287-N295 VanDerWaalsContact CA-O 3.29Å; A287-N295 WeakPolarHBondContact CA-O 3.39Å; D288-N295 PolarHBondContact N-O 3.36Å; D288-N295 PolarHBondContact OD1-N 3.36Å; D288-N295 WeakPolarHBondContact OD2-CB 3.29Å; D288-N295 PolarHBondContact OD2-ND2 3.08Å; N295-W309 HydrophobicContact CB-CH2 3.99Å; N295-W309 VanDerWaalsContact O-CZ3 3.31Å; N295-W309 WeakPolarHBondContact O-CZ3 3.35Å
296T98.2Very high97.4Very high70 Ų7058.1 Ų58.143%0.42931%0.307SS..EExtended strand (participates in β ladder)trans-124.2144.2-177.158.30000112.4V285 T286 K345 F346V285-T296 HydrophobicContact CG1-CG2 4.48Å; T286-T296 WeakPolarHBondContact O-CA 3.28Å; T296-K345 HydrophobicContact CG2-CB 4.47Å; T296-K345 HydrophobicContact CG2-CD 3.92Å; T296-F346 HydrophobicContact CG2-CE1 3.75Å; T296-F346 HydrophobicContact CG2-CZ 4Å
297E97.8Very high97.3Very high48 Ų4864 Ų6422%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-137.9162.717067-180173.300110.3T286 R299 W309T286-E297 PolarHBondContact N-O 3.26Å; T286-E297 PolarHBondContact O-N 3.27Å; T286-E297 VanDerWaalsContact O-N 3.09Å; T286-E297 WeakPolarHBondContact OG1-CG 3.21Å; T286-E297 PolarHBondContact OG1-O 3.22Å; E297-R299 VanDerWaalsContact CD-NH2 3.34Å; E297-R299 HydrophobicContact CG-CG 4.2Å; E297-R299 IonicContact OE1-CZ 3.29Å; E297-R299 IonicContact OE1-NE 3.06Å; E297-R299 PolarHBondContact OE1-NE 3.17Å; E297-R299 VanDerWaalsContact OE1-NE 3.07Å; E297-R299 IonicContact OE1-NH1 3.5Å; E297-R299 IonicContact OE1-NH2 3.17Å; E297-R299 PolarHBondContact OE1-NH2 3.44Å; E297-R299 IonicContact OE2-CZ 2.69Å; E297-R299 IonicContact OE2-NE 3.14Å; E297-R299 IonicContact OE2-NH1 2.61Å; E297-R299 PolarHBondContact OE2-NH1 2.63Å; E297-R299 IonicContact OE2-NH2 2.95Å; E297-R299 PolarHBondContact OE2-NH2 3.42Å; E297-W309 HydrophobicContact CB-CZ3 4.27Å; E297-W309 HydrophobicContact CG-CE3 3.87Å; E297-W309 HydrophobicContact CG-CH2 4.24Å; E297-W309 HydrophobicContact CG-CZ3 3.68Å
298I98.4Very high97.3Very high87 Ų8765.7 Ų65.745%0.44636%0.356SS..EExtended strand (participates in β ladder)trans-96.7129.2170-59.1-59000108.9D283 F284 V285D283-I298 HydrophobicContact CB-CG2 4.41Å; F284-I298 VanDerWaalsContact O-CA 3.31Å; F284-I298 WeakPolarHBondContact O-CA 3.37Å; V285-I298 HydrophobicContact CB-CD1 4.31Å; V285-I298 HydrophobicContact CG2-CD1 3.78Å
299R98.2Very high97.3Very high63 Ų6366 Ų6624%0.23835%0.353CS..EExtended strand (participates in β ladder)trans-118.4159.1174.2-69.3-56.8-146.5-137.4-10111.1D283 F284 T286 E297 G304 I305D283-R299 CarbonylContact C-O 3.55Å; D283-R299 WeakPolarHBondContact CA-O 3.49Å; D283-R299 VanDerWaalsContact CB-O 3.28Å; D283-R299 WeakPolarHBondContact CB-O 3.29Å; F284-R299 HydrophobicContact CD2-CB 4.34Å; F284-R299 WeakPolarHBondContact CD2-O 3.29Å; F284-R299 PolarHBondContact N-O 2.85Å; F284-R299 PolarHBondContact O-N 2.84Å; T286-R299 HydrophobicContact CG2-CB 3.86Å; T286-R299 HydrophobicContact CG2-CG 3.74Å; E297-R299 VanDerWaalsContact CD-NH2 3.34Å; E297-R299 HydrophobicContact CG-CG 4.2Å; E297-R299 IonicContact OE1-CZ 3.29Å; E297-R299 IonicContact OE1-NE 3.06Å; E297-R299 PolarHBondContact OE1-NE 3.17Å; E297-R299 VanDerWaalsContact OE1-NE 3.07Å; E297-R299 IonicContact OE1-NH1 3.5Å; E297-R299 IonicContact OE1-NH2 3.17Å; E297-R299 PolarHBondContact OE1-NH2 3.44Å; E297-R299 IonicContact OE2-CZ 2.69Å; E297-R299 IonicContact OE2-NE 3.14Å; E297-R299 IonicContact OE2-NH1 2.61Å; E297-R299 PolarHBondContact OE2-NH1 2.63Å; E297-R299 IonicContact OE2-NH2 2.95Å; E297-R299 PolarHBondContact OE2-NH2 3.42Å; R299-G304 WeakPolarHBondContact CB-O 3.5Å; R299-G304 VanDerWaalsContact CD-O 3.31Å; R299-G304 WeakPolarHBondContact CD-O 3.49Å; R299-G304 WeakPolarHBondContact CG-O 3.34Å; R299-G304 PolarHBondContact NE-O 2.87Å; R299-I305 HydrophobicContact CB-CG1 4.19Å; R299-I305 HydrophobicContact CG-CG1 4.41Å
300T98.3Very high97.4Very high50 Ų5063.4 Ų63.431%0.30734%0.343SS..EExtended strand (participates in β ladder)trans-123.1167.8178.661.80000110.2V282 D283 Q302 S303 G304V282-T300 WeakPolarHBondContact O-CA 3.33Å; D283-T300 HydrophobicContact CB-CG2 4.3Å; T300-Q302 PolarHBondContact O-N 3.12Å; T300-S303 PolarHBondContact N-OG 3.36Å; T300-S303 PolarHBondContact O-N 2.72Å; T300-S303 PolarHBondContact O-OG 3.18Å; T300-S303 VanDerWaalsContact O-OG 3.12Å; T300-S303 PolarHBondContact OG1-N 2.8Å; T300-S303 VanDerWaalsContact OG1-N 3.13Å; T300-S303 PolarHBondContact OG1-OG 2.97Å; T300-S303 VanDerWaalsContact OG1-OG 3.13Å; T300-G304 PolarHBondContact O-N 2.74Å
301I96.9Very high97.4Very high27 Ų2757.7 Ų57.714%0.13832%0.32CS..THydrogen-bonded Turntrans-54.5-42171.9-65.4173.2000111L243 H247 M249 V282 F284 G304L243-I301 HydrophobicContact CD2-CD1 3.98Å; L243-I301 HydrophobicContact CD2-CG1 4.19Å; H247-I301 HydrophobicContact CB-CG2 3.82Å; M249-I301 HydrophobicContact SD-CB 4.34Å; M249-I301 HydrophobicContact SD-CG1 4.11Å; M249-I301 HydrophobicContact SD-CG2 4.47Å; V282-I301 HydrophobicContact CB-CD1 4.31Å; V282-I301 HydrophobicContact CG1-CD1 4.18Å; V282-I301 PolarHBondContact O-N 2.81Å; F284-I301 HydrophobicContact CE2-CG1 4.33Å; F284-I301 HydrophobicContact CZ-CG1 4.2Å; I301-G304 PolarHBondContact O-N 3.44Å
302Q96.7Very high97.5Very high165 Ų16557.2 Ų57.277%0.77131%0.314SS*.THydrogen-bonded Turntrans-70-39.6-176.3-67.373.123.900112.5T300 G304T300-Q302 PolarHBondContact O-N 3.12Å; Q302-G304 VanDerWaalsContact C-N 3.34Å
303S97.3Very high97.8Very high70 Ų7052.3 Ų52.349%0.4929%0.288SS..THydrogen-bonded Turntrans-75.8-25.7177.265.40000112.7T300T300-S303 PolarHBondContact N-OG 3.36Å; T300-S303 PolarHBondContact O-N 2.72Å; T300-S303 PolarHBondContact O-OG 3.18Å; T300-S303 VanDerWaalsContact O-OG 3.12Å; T300-S303 PolarHBondContact OG1-N 2.8Å; T300-S303 VanDerWaalsContact OG1-N 3.13Å; T300-S303 PolarHBondContact OG1-OG 2.97Å; T300-S303 VanDerWaalsContact OG1-OG 3.13Å
304G97.5Very high97.9Very high3 Ų347.5 Ų47.53%0.03126%0.262CS..  trans61.4-173.1-164.300000112.4H250 R299 T300 I301 Q302H250-G304 CarbonylContact O-C 3.55Å; H250-G304 VanDerWaalsContact O-CA 3.31Å; H250-G304 WeakPolarHBondContact O-CA 3.13Å; R299-G304 WeakPolarHBondContact CB-O 3.5Å; R299-G304 VanDerWaalsContact CD-O 3.31Å; R299-G304 WeakPolarHBondContact CD-O 3.49Å; R299-G304 WeakPolarHBondContact CG-O 3.34Å; R299-G304 PolarHBondContact NE-O 2.87Å; T300-G304 PolarHBondContact O-N 2.74Å; I301-G304 PolarHBondContact O-N 3.44Å; Q302-G304 VanDerWaalsContact C-N 3.34Å
305I98.3Very high98Very high1 Ų147.5 Ų47.51%0.00526%0.261CS..BIsolated β-bridgetrans-110.9130.7174.9-56.6177.7000107.6Y240 M249 H250 G252 S254 T286 R299 W309Y240-I305 HydrophobicContact CD1-CD1 4.15Å; Y240-I305 HydrophobicContact CE1-CD1 3.68Å; M249-I305 HydrophobicContact CE-CD1 3.94Å; M249-I305 HydrophobicContact CE-CG1 3.89Å; H250-I305 PolarHBondContact CE1-O 3.38Å; H250-I305 PolarHBondContact ND1-O 3.28Å; H250-I305 PolarHBondContact O-N 3.33Å; G252-I305 PolarHBondContact N-O 3.41Å; S254-I305 WeakPolarHBondContact OG-CD1 3.42Å; T286-I305 HydrophobicContact CG2-CD1 3.77Å; T286-I305 HydrophobicContact CG2-CG1 3.8Å; T286-I305 HydrophobicContact CG2-CG2 4.04Å; R299-I305 HydrophobicContact CB-CG1 4.19Å; R299-I305 HydrophobicContact CG-CG1 4.41Å; I305-W309 HydrophobicContact CG2-CB 3.76Å; I305-W309 WeakPolarHBondContact CG2-O 3.42Å
306A97.1Very high98Very high33 Ų3346.4 Ų46.427%0.27326%0.26SS..  trans-68.2156.9-177.100000112.3G252 W309G252-A306 WeakPolarHBondContact CA-O 3.41Å; A306-W309 HydrophobicContact CB-CG 4.47Å; A306-W309 WeakPolarHBondContact O-CB 3.14Å; A306-W309 PolarHBondContact O-N 2.93Å; A306-W309 VanDerWaalsContact O-N 3.07Å
307D97.7Very high98Very high123 Ų12348.5 Ų48.566%0.65826%0.264SS*.THydrogen-bonded Turntrans-57.5142.1170.5-72-33.8000111H250 W309H250-D307 IonicContact CE1-OD1 3.23Å; H250-D307 PolarHBondContact CE1-OD1 2.88Å; H250-D307 IonicContact NE2-OD1 3.61Å; H250-D307 PolarHBondContact NE2-OD1 2.78Å; D307-W309 PolarHBondContact O-N 3.38Å
308G97.6Very high98.1Very high36 Ų3646.2 Ų46.237%0.37125%0.253SS..THydrogen-bonded Turntrans82.9-21.9-172.900000114.3N253N253-G308 WeakPolarHBondContact ND2-CA 3.38Å
309W98.5Very high98.1Very high59 Ų5943.6 Ų43.622%0.22324%0.239CC..  trans-96.4156.2177.9-67.770.7000112N253 A287 D288 N295 E297 I305 A306 D307N253-W309 PolarHBondContact N-O 3.41Å; A287-W309 CarbonylContact O-C 3.56Å; A287-W309 VanDerWaalsContact O-CA 3.26Å; A287-W309 WeakPolarHBondContact O-CA 3.35Å; D288-W309 HydrophobicContact CB-CD2 4.06Å; D288-W309 HydrophobicContact CB-CE3 4.25Å; D288-W309 HydrophobicContact CB-CH2 4.07Å; D288-W309 HydrophobicContact CB-CZ2 3.88Å; D288-W309 HydrophobicContact CB-CZ3 4.24Å; N295-W309 HydrophobicContact CB-CH2 3.99Å; N295-W309 VanDerWaalsContact O-CZ3 3.31Å; N295-W309 WeakPolarHBondContact O-CZ3 3.35Å; E297-W309 HydrophobicContact CB-CZ3 4.27Å; E297-W309 HydrophobicContact CG-CE3 3.87Å; E297-W309 HydrophobicContact CG-CH2 4.24Å; E297-W309 HydrophobicContact CG-CZ3 3.68Å; I305-W309 HydrophobicContact CG2-CB 3.76Å; I305-W309 WeakPolarHBondContact CG2-O 3.42Å; A306-W309 HydrophobicContact CB-CG 4.47Å; A306-W309 WeakPolarHBondContact O-CB 3.14Å; A306-W309 PolarHBondContact O-N 2.93Å; A306-W309 VanDerWaalsContact O-N 3.07Å; D307-W309 PolarHBondContact O-N 3.38Å
310M98.6Very high98.1Very high29 Ų2945.8 Ų45.814%0.14325%0.252CS..EExtended strand (participates in β ladder)trans-141.4144.1178.462.5-157.174.200111.3N253 S254 T286 A287 F290 L312N253-M310 HydrophobicContact CB-CB 4.31Å; N253-M310 HydrophobicContact CB-CE 4.07Å; S254-M310 WeakPolarHBondContact OG-CA 3.39Å; T286-M310 CarbonylContact C-O 3.54Å; T286-M310 WeakPolarHBondContact CA-O 3.39Å; T286-M310 WeakPolarHBondContact CB-O 3.3Å; A287-M310 PolarHBondContact N-O 2.73Å; A287-M310 PolarHBondContact O-N 3.46Å; F290-M310 HydrophobicContact CB-SD 4.17Å; M310-L312 HydrophobicContact CG-CD1 4.26Å; M310-L312 HydrophobicContact CG-CD2 3.86Å; M310-L312 HydrophobicContact CG-CG 3.97Å; M310-L312 HydrophobicContact SD-CD2 4.32Å
311G98.4Very high98.1Very high7 Ų746.8 Ų46.87%0.07225%0.253CS..EExtended strand (participates in β ladder)trans-83.5128.6175.100000111.7Y240 S254Y240-G311 VanDerWaalsContact CE2-O 3.26Å; Y240-G311 WeakPolarHBondContact CE2-O 3.44Å; Y240-G311 WeakPolarHBondContact OH-CA 3.19Å; Y240-G311 PolarHBondContact OH-O 2.73Å; S254-G311 PolarHBondContact OG-N 3.07Å
312L98.3Very high98.2Very high16 Ų1645.7 Ų45.78%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-124.6-10.1-172-62.5-176.4000114V285 A287 F290 M310 G339 V340 F346V285-L312 PolarHBondContact O-N 3.06Å; A287-L312 HydrophobicContact CB-CD1 3.63Å; A287-L312 HydrophobicContact CB-CG 4.34Å; F290-L312 HydrophobicContact CD2-CD1 4.2Å; F290-L312 HydrophobicContact CD2-CD2 3.74Å; F290-L312 HydrophobicContact CE2-CD2 3.94Å; M310-L312 HydrophobicContact CG-CD1 4.26Å; M310-L312 HydrophobicContact CG-CD2 3.86Å; M310-L312 HydrophobicContact CG-CG 3.97Å; M310-L312 HydrophobicContact SD-CD2 4.32Å; L312-G339 CarbonylContact O-C 3.6Å; L312-G339 WeakPolarHBondContact O-CA 3.48Å; L312-V340 HydrophobicContact CB-CG2 4.15Å; L312-V340 HydrophobicContact CD2-CG2 4.01Å; L312-V340 PolarHBondContact O-N 3.11Å; L312-F346 HydrophobicContact CB-CB 4.16Å; L312-F346 HydrophobicContact CB-CD1 3.59Å; L312-F346 HydrophobicContact CB-CD2 4.03Å; L312-F346 HydrophobicContact CB-CE1 3.99Å; L312-F346 HydrophobicContact CB-CE2 4.42Å; L312-F346 HydrophobicContact CB-CG 3.64Å; L312-F346 HydrophobicContact CB-CZ 4.41Å; L312-F346 HydrophobicContact CD1-CD1 4.35Å; L312-F346 HydrophobicContact CD1-CD2 3.82Å; L312-F346 HydrophobicContact CD1-CE1 4.05Å; L312-F346 HydrophobicContact CD1-CE2 3.52Å; L312-F346 HydrophobicContact CD1-CG 4.27Å; L312-F346 HydrophobicContact CD1-CZ 3.66Å
313D98.4Very high98.3Very high0 Ų039.1 Ų39.10%022%0.22CC..EExtended strand (participates in β ladder)trans-155.6167171.2-161.29.5000110.6F284 V285 F346 T348 G349F284-D313 WeakPolarHBondContact CA-O 3.33Å; V285-D313 HydrophobicContact CB-CB 4.06Å; V285-D313 HydrophobicContact CG2-CB 4.16Å; V285-D313 PolarHBondContact N-O 3.47Å; V285-D313 PolarHBondContact O-N 2.85Å; D313-F346 HydrophobicContact CB-CB 4.08Å; D313-F346 VanDerWaalsContact CG-O 3.24Å; D313-F346 VanDerWaalsContact OD2-C 3.22Å; D313-T348 PolarHBondContact OD2-N 2.9Å; D313-T348 VanDerWaalsContact OD2-N 3.12Å; D313-G349 WeakPolarHBondContact OD1-CA 3.49Å; D313-G349 PolarHBondContact OD1-N 3.02Å; D313-G349 PolarHBondContact OD2-N 3.17Å
314I98.7Very high98.4Very high5 Ų540.9 Ų40.93%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-76.8143.2173.858169.4000111.2P281 T318 I319 F322 M338 G349P281-I314 HydrophobicContact CB-CG2 4Å; P281-I314 HydrophobicContact CG-CG2 3.82Å; I314-T318 HydrophobicContact CB-CG2 3.75Å; I314-T318 HydrophobicContact CD1-CG2 4.04Å; I314-T318 HydrophobicContact CG1-CG2 4.45Å; I314-T318 HydrophobicContact CG2-CG2 3.88Å; I314-I319 HydrophobicContact CD1-CG1 3.75Å; I314-I319 HydrophobicContact CG1-CG1 3.93Å; I314-F322 HydrophobicContact CD1-CD2 3.99Å; I314-F322 HydrophobicContact CD1-CE2 4.41Å; I314-F322 HydrophobicContact CG2-CE2 4.47Å; I314-M338 HydrophobicContact CD1-CB 4.01Å; I314-M338 HydrophobicContact CD1-CG 3.93Å; I314-M338 HydrophobicContact CD1-SD 4.43Å; I314-M338 HydrophobicContact CG1-CB 3.98Å; I314-M338 HydrophobicContact CG1-CG 4.46Å; I314-M338 HydrophobicContact CG2-CB 4.25Å; I314-G349 VanDerWaalsContact CG1-CA 3.47Å
315G98.6Very high98.4Very high0 Ų041 Ų410%022%0.218CC..  trans-80.6172.9179.900000114D283 K317 T318 I319D283-G315 VanDerWaalsContact CG-CA 3.43Å; D283-G315 PolarHBondContact O-N 3Å; D283-G315 VanDerWaalsContact OD1-CA 3.27Å; D283-G315 WeakPolarHBondContact OD1-CA 3.03Å; D283-G315 VanDerWaalsContact OD2-C 3.31Å; G315-K317 VanDerWaalsContact C-N 3.32Å; G315-K317 PolarHBondContact O-N 3.09Å; G315-T318 PolarHBondContact O-N 3.28Å; G315-I319 WeakPolarHBondContact O-CG1 3.49Å; G315-I319 PolarHBondContact O-N 3.33Å
316P98.4Very high98.5Very high83 Ų8341 Ų4154%0.53922%0.219SC..Hα-helixtrans-59.6-35.2-175.523.5-34.7000114.2D283 I319 E320D283-P316 WeakPolarHBondContact OD2-CD 3.47Å; P316-I319 PolarHBondContact O-N 3.27Å; P316-E320 PolarHBondContact O-N 3.49Å; P316-E320 VanDerWaalsContact O-N 3.1Å
317K98.6Very high98.5Very high114 Ų11442 Ų4250%0.49622%0.223SC..Hα-helixtrans-71.5-40.3178.9-173.1179175.2-175.60111.3V282 D283 G315 I319 E320 E321V282-K317 HydrophobicContact CG2-CB 4.14Å; V282-K317 HydrophobicContact CG2-CD 3.87Å; V282-K317 HydrophobicContact CG2-CG 3.84Å; D283-K317 PolarHBondContact OD1-N 3.42Å; D283-K317 VanDerWaalsContact OD2-CB 3.31Å; D283-K317 WeakPolarHBondContact OD2-CB 3.45Å; D283-K317 PolarHBondContact OD2-N 2.87Å; G315-K317 VanDerWaalsContact C-N 3.32Å; G315-K317 PolarHBondContact O-N 3.09Å; K317-I319 VanDerWaalsContact C-N 3.32Å; K317-I319 PolarHBondContact O-N 2.89Å; K317-E320 WeakPolarHBondContact O-CB 3.43Å; K317-E320 PolarHBondContact O-N 2.78Å; K317-E321 VanDerWaalsContact CE-OE1 3.25Å; K317-E321 WeakPolarHBondContact CE-OE1 3.36Å; K317-E321 WeakPolarHBondContact O-CG 3.29Å; K317-E321 PolarHBondContact O-N 3.35Å
318T98.8Very high98.5Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-62.3-42.2173.9-58.10000110.8P281 V282 D283 I314 G315 E320 E321 F322P281-T318 HydrophobicContact CB-CG2 3.7Å; P281-T318 HydrophobicContact CG-CG2 4.29Å; V282-T318 PolarHBondContact N-OG1 2.83Å; D283-T318 PolarHBondContact N-OG1 3.4Å; D283-T318 VanDerWaalsContact N-OG1 3.11Å; D283-T318 PolarHBondContact O-OG1 3.22Å; D283-T318 VanDerWaalsContact O-OG1 3.13Å; D283-T318 VanDerWaalsContact OD1-CB 3.25Å; D283-T318 WeakPolarHBondContact OD1-CB 3.43Å; D283-T318 PolarHBondContact OD1-N 3.39Å; D283-T318 PolarHBondContact OD1-OG1 3.17Å; I314-T318 HydrophobicContact CB-CG2 3.75Å; I314-T318 HydrophobicContact CD1-CG2 4.04Å; I314-T318 HydrophobicContact CG1-CG2 4.45Å; I314-T318 HydrophobicContact CG2-CG2 3.88Å; G315-T318 PolarHBondContact O-N 3.28Å; T318-E320 VanDerWaalsContact C-N 3.31Å; T318-E320 PolarHBondContact O-N 3.01Å; T318-E321 PolarHBondContact O-N 3.36Å; T318-F322 HydrophobicContact CG2-CD1 3.99Å; T318-F322 HydrophobicContact CG2-CD2 3.74Å; T318-F322 HydrophobicContact CG2-CE1 3.82Å; T318-F322 HydrophobicContact CG2-CE2 3.56Å; T318-F322 HydrophobicContact CG2-CG 3.96Å; T318-F322 HydrophobicContact CG2-CZ 3.61Å; T318-F322 VanDerWaalsContact O-CB 3.32Å; T318-F322 WeakPolarHBondContact O-CB 3.46Å; T318-F322 WeakPolarHBondContact O-CG 3.41Å; T318-F322 PolarHBondContact O-N 3.37Å
319I98.8Very high98.6Very high32 Ų3239.4 Ų39.416%0.16419%0.194CC..Hα-helixtrans-56.1-48.7174.5-70167.5000110I314 G315 P316 K317 E321 F322 S323 T348 A352I314-I319 HydrophobicContact CD1-CG1 3.75Å; I314-I319 HydrophobicContact CG1-CG1 3.93Å; G315-I319 WeakPolarHBondContact O-CG1 3.49Å; G315-I319 PolarHBondContact O-N 3.33Å; P316-I319 PolarHBondContact O-N 3.27Å; K317-I319 VanDerWaalsContact C-N 3.32Å; K317-I319 PolarHBondContact O-N 2.89Å; I319-E321 PolarHBondContact O-N 3.06Å; I319-F322 PolarHBondContact O-N 3.43Å; I319-S323 VanDerWaalsContact O-CB 3.29Å; I319-S323 WeakPolarHBondContact O-CB 3.38Å; I319-S323 PolarHBondContact O-N 2.95Å; I319-S323 PolarHBondContact O-OG 3.15Å; I319-T348 HydrophobicContact CD1-CG2 4.16Å; I319-A352 HydrophobicContact CD1-CB 4.29Å; I319-A352 HydrophobicContact CG1-CB 4.28Å; I319-A352 HydrophobicContact CG2-CB 3.57Å
320E98.8Very high98.6Very high109 Ų10940.9 Ų40.951%0.50920%0.202SC..Hα-helixtrans-58.8-46.1177.8-168.1-163148.600112.5P316 K317 T318 K324P316-E320 PolarHBondContact O-N 3.49Å; P316-E320 VanDerWaalsContact O-N 3.1Å; K317-E320 WeakPolarHBondContact O-CB 3.43Å; K317-E320 PolarHBondContact O-N 2.78Å; T318-E320 VanDerWaalsContact C-N 3.31Å; T318-E320 PolarHBondContact O-N 3.01Å; E320-K324 WeakPolarHBondContact O-CG 3.4Å; E320-K324 PolarHBondContact O-N 2.88Å; E320-K324 WeakPolarHBondContact OE1-CE 3.34Å; E320-K324 IonicContact OE1-NZ 2.68Å; E320-K324 PolarHBondContact OE1-NZ 3.02Å
321E98.8Very high98.6Very high70 Ų7039.7 Ų39.733%0.32720%0.196SC..Hα-helixtrans-67.5-46.5-179.2-71.5-178.3-168.600112K317 T318 I319 S323 K324 V325K317-E321 VanDerWaalsContact CE-OE1 3.25Å; K317-E321 WeakPolarHBondContact CE-OE1 3.36Å; K317-E321 WeakPolarHBondContact O-CG 3.29Å; K317-E321 PolarHBondContact O-N 3.35Å; T318-E321 PolarHBondContact O-N 3.36Å; I319-E321 PolarHBondContact O-N 3.06Å; E321-S323 VanDerWaalsContact C-N 3.33Å; E321-S323 PolarHBondContact O-N 2.99Å; E321-K324 PolarHBondContact O-N 3.19Å; E321-V325 WeakPolarHBondContact O-CG2 3.46Å; E321-V325 PolarHBondContact O-N 3.24Å
322F98.8Very high98.6Very high5 Ų539.4 Ų39.42%0.02219%0.193CC..Hα-helixtrans-65.5-36.6177.7-74.17.1000111.2I233 H279 P281 I314 T318 I319 K324 V325 I326 M338I233-F322 HydrophobicContact CD1-CB 4.02Å; I233-F322 HydrophobicContact CD1-CD1 4.27Å; I233-F322 HydrophobicContact CD1-CD2 4.28Å; I233-F322 HydrophobicContact CD1-CG 3.94Å; I233-F322 HydrophobicContact CG1-CD1 4.24Å; I233-F322 HydrophobicContact CG1-CE1 4.4Å; I233-F322 HydrophobicContact CG1-CG 4.31Å; I233-F322 HydrophobicContact CG2-CD2 3.7Å; I233-F322 HydrophobicContact CG2-CE1 4.32Å; I233-F322 HydrophobicContact CG2-CE2 3.39Å; I233-F322 HydrophobicContact CG2-CG 4.29Å; I233-F322 HydrophobicContact CG2-CZ 3.73Å; H279-F322 HydrophobicContact CB-CD1 4.31Å; H279-F322 HydrophobicContact CB-CE1 3.84Å; P281-F322 HydrophobicContact CG-CE2 4.36Å; P281-F322 HydrophobicContact CG-CZ 4.02Å; I314-F322 HydrophobicContact CD1-CD2 3.99Å; I314-F322 HydrophobicContact CD1-CE2 4.41Å; I314-F322 HydrophobicContact CG2-CE2 4.47Å; T318-F322 HydrophobicContact CG2-CD1 3.99Å; T318-F322 HydrophobicContact CG2-CD2 3.74Å; T318-F322 HydrophobicContact CG2-CE1 3.82Å; T318-F322 HydrophobicContact CG2-CE2 3.56Å; T318-F322 HydrophobicContact CG2-CG 3.96Å; T318-F322 HydrophobicContact CG2-CZ 3.61Å; T318-F322 VanDerWaalsContact O-CB 3.32Å; T318-F322 WeakPolarHBondContact O-CB 3.46Å; T318-F322 WeakPolarHBondContact O-CG 3.41Å; T318-F322 PolarHBondContact O-N 3.37Å; I319-F322 PolarHBondContact O-N 3.43Å; F322-K324 VanDerWaalsContact C-N 3.28Å; F322-K324 PolarHBondContact O-N 3.24Å; F322-V325 WeakPolarHBondContact O-CB 3.29Å; F322-V325 PolarHBondContact O-N 3.23Å; F322-V325 VanDerWaalsContact O-N 3.08Å; F322-I326 VanDerWaalsContact O-CG1 3.27Å; F322-I326 WeakPolarHBondContact O-CG1 3.48Å; F322-I326 PolarHBondContact O-N 3.33Å; F322-M338 HydrophobicContact CD2-SD 4.28Å; F322-M338 HydrophobicContact CE2-SD 4.05Å
323S98.7Very high98.5Very high26 Ų2638.6 Ų38.618%0.18219%0.189CC..Hα-helixtrans-60.7-36.3175.2-71.60000112.7I319 E321 V325 S327I319-S323 VanDerWaalsContact O-CB 3.29Å; I319-S323 WeakPolarHBondContact O-CB 3.38Å; I319-S323 PolarHBondContact O-N 2.95Å; I319-S323 PolarHBondContact O-OG 3.15Å; E321-S323 VanDerWaalsContact C-N 3.33Å; E321-S323 PolarHBondContact O-N 2.99Å; S323-V325 VanDerWaalsContact C-N 3.32Å; S323-V325 PolarHBondContact O-N 3.46Å; S323-S327 VanDerWaalsContact O-CB 3.24Å; S323-S327 WeakPolarHBondContact O-CB 3.41Å; S323-S327 PolarHBondContact O-N 3.33Å; S323-S327 PolarHBondContact O-OG 3.2Å
324K98.7Very high98.5Very high108 Ų10838.6 Ų38.647%0.4719%0.189SC..Hα-helixtrans-67.7-31.6174.9-67.2168.3-171.4165.20112.7E320 E321 F322 S327 R328E320-K324 WeakPolarHBondContact O-CG 3.4Å; E320-K324 PolarHBondContact O-N 2.88Å; E320-K324 WeakPolarHBondContact OE1-CE 3.34Å; E320-K324 IonicContact OE1-NZ 2.68Å; E320-K324 PolarHBondContact OE1-NZ 3.02Å; E321-K324 PolarHBondContact O-N 3.19Å; F322-K324 VanDerWaalsContact C-N 3.28Å; F322-K324 PolarHBondContact O-N 3.24Å; K324-S327 PolarHBondContact O-OG 2.92Å; K324-R328 VanDerWaalsContact C-NH1 3.35Å; K324-R328 PolarHBondContact O-NH1 3.33Å
325V98.7Very high98.3Very high4 Ų438.5 Ų38.52%0.02419%0.189CC..Hα-helixtrans-72.3-50.3175.7173.80000110.4L207 E231 I233 E321 F322 S323 S327 R328L207-V325 HydrophobicContact CD1-CG1 3.64Å; L207-V325 HydrophobicContact CD2-CG1 3.87Å; L207-V325 HydrophobicContact CG-CG1 4.38Å; E231-V325 HydrophobicContact CB-CG1 4.38Å; E231-V325 WeakPolarHBondContact OE2-CG1 3.41Å; I233-V325 HydrophobicContact CD1-CB 4.11Å; I233-V325 HydrophobicContact CD1-CG1 3.8Å; I233-V325 HydrophobicContact CG1-CG1 4.09Å; E321-V325 WeakPolarHBondContact O-CG2 3.46Å; E321-V325 PolarHBondContact O-N 3.24Å; F322-V325 WeakPolarHBondContact O-CB 3.29Å; F322-V325 PolarHBondContact O-N 3.23Å; F322-V325 VanDerWaalsContact O-N 3.08Å; S323-V325 VanDerWaalsContact C-N 3.32Å; S323-V325 PolarHBondContact O-N 3.46Å; V325-S327 PolarHBondContact O-N 3.06Å; V325-R328 VanDerWaalsContact CA-NH1 3.34Å; V325-R328 WeakPolarHBondContact O-CG 3.45Å; V325-R328 PolarHBondContact O-N 3.32Å
326I98.8Very high98.1Very high2 Ų238.9 Ų38.91%0.0119%0.192CC..Hα-helixtrans-61.3-44.2-179.4-64.9167.4000111L207 I209 I233 F322 R328 A329 I332 A353 E356 V357L207-I326 HydrophobicContact CD2-CB 4.35Å; L207-I326 HydrophobicContact CD2-CG1 3.88Å; I209-I326 HydrophobicContact CD1-CD1 4Å; I209-I326 HydrophobicContact CD1-CG1 3.86Å; I233-I326 HydrophobicContact CD1-CD1 4.36Å; I233-I326 HydrophobicContact CD1-CG1 3.98Å; F322-I326 VanDerWaalsContact O-CG1 3.27Å; F322-I326 WeakPolarHBondContact O-CG1 3.48Å; F322-I326 PolarHBondContact O-N 3.33Å; I326-R328 VanDerWaalsContact C-N 3.31Å; I326-R328 PolarHBondContact O-N 2.88Å; I326-A329 PolarHBondContact O-N 3.2Å; I326-I332 HydrophobicContact CG2-CD1 3.97Å; I326-A353 HydrophobicContact CD1-CB 4.13Å; I326-E356 HydrophobicContact CB-CB 4.21Å; I326-E356 HydrophobicContact CB-CG 3.81Å; I326-E356 HydrophobicContact CD1-CB 4.39Å; I326-E356 HydrophobicContact CG2-CB 3.81Å; I326-E356 HydrophobicContact CG2-CG 3.67Å; I326-V357 HydrophobicContact CG2-CB 4.42Å; I326-V357 HydrophobicContact CG2-CG2 3.7Å
327S98.5Very high98.1Very high53 Ų5335.6 Ų35.637%0.37117%0.171SC..Hα-helixtrans-64.8-27.8-174.460.70000114.9S323 K324 V325 E356S323-S327 VanDerWaalsContact O-CB 3.24Å; S323-S327 WeakPolarHBondContact O-CB 3.41Å; S323-S327 PolarHBondContact O-N 3.33Å; S323-S327 PolarHBondContact O-OG 3.2Å; K324-S327 PolarHBondContact O-OG 2.92Å; V325-S327 PolarHBondContact O-N 3.06Å; S327-E356 VanDerWaalsContact CB-OE1 3.26Å; S327-E356 WeakPolarHBondContact CB-OE1 3.38Å
328R98.1Very high98Very high101 Ų10130.3 Ų30.338%0.38115%0.148SC..Hα-helixtrans-90.8-14.4-179.869176.2176.4-975.8114.1E231 K324 V325 I326E231-R328 IonicContact OE1-CZ 3.09Å; E231-R328 VanDerWaalsContact OE1-CZ 3.29Å; E231-R328 IonicContact OE1-NE 2.77Å; E231-R328 PolarHBondContact OE1-NE 3.43Å; E231-R328 IonicContact OE1-NH2 2.73Å; E231-R328 PolarHBondContact OE1-NH2 2.9Å; E231-R328 IonicContact OE2-CZ 3.86Å; E231-R328 VanDerWaalsContact OE2-CZ 3.23Å; E231-R328 IonicContact OE2-NE 3.3Å; E231-R328 PolarHBondContact OE2-NE 2.9Å; E231-R328 IonicContact OE2-NH2 3.61Å; E231-R328 PolarHBondContact OE2-NH2 3.18Å; K324-R328 VanDerWaalsContact C-NH1 3.35Å; K324-R328 PolarHBondContact O-NH1 3.33Å; V325-R328 VanDerWaalsContact CA-NH1 3.34Å; V325-R328 WeakPolarHBondContact O-CG 3.45Å; V325-R328 PolarHBondContact O-N 3.32Å; I326-R328 VanDerWaalsContact C-N 3.31Å; I326-R328 PolarHBondContact O-N 2.88Å
329A98.6Very high98Very high4 Ų430.8 Ų30.83%0.03315%0.153CC..  trans-66.4145.2-178.700000111.4P205 L207 I326 I332 A365P205-A329 WeakPolarHBondContact O-CA 3.43Å; L207-A329 HydrophobicContact CB-CB 3.68Å; L207-A329 HydrophobicContact CD2-CB 4.13Å; I326-A329 PolarHBondContact O-N 3.2Å; A329-I332 HydrophobicContact CB-CD1 3.99Å; A329-I332 HydrophobicContact CB-CG1 3.63Å; A329-A365 WeakPolarHBondContact O-CB 3.45Å
330K98.4Very high97.9Very high91 Ų9130.4 Ų30.440%0.39615%0.152SC..SBendtrans-103.9-28.4174.7-61.3-56.5-175.1-177.70112.5E203 R204 P205 A365 T366E203-K330 HydrophobicContact CB-CB 3.69Å; R204-K330 WeakPolarHBondContact O-CG 3.27Å; P205-K330 PolarHBondContact O-N 3.01Å; K330-A365 CarbonylContact O-C 3.52Å; K330-A365 VanDerWaalsContact O-CA 3.26Å; K330-A365 WeakPolarHBondContact O-CA 3.32Å; K330-T366 PolarHBondContact O-N 2.86Å
331T98.4Very high97.8Very high3 Ų325.7 Ų25.72%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-123.7134.9166.7-54.70000108.5A198 P202 E203 P205 F206 L207 T366A198-T331 HydrophobicContact CB-CG2 3.87Å; P202-T331 HydrophobicContact CB-CG2 4.1Å; E203-T331 PolarHBondContact N-OG1 3.25Å; E203-T331 WeakPolarHBondContact O-CB 3.39Å; E203-T331 PolarHBondContact O-N 3.13Å; E203-T331 PolarHBondContact O-OG1 3.21Å; P205-T331 PolarHBondContact O-N 3.2Å; F206-T331 WeakPolarHBondContact CA-O 3.37Å; F206-T331 HydrophobicContact CD2-CG2 3.6Å; F206-T331 WeakPolarHBondContact CD2-O 3.39Å; F206-T331 HydrophobicContact CE2-CG2 3.71Å; F206-T331 HydrophobicContact CG-CG2 4.3Å; F206-T331 HydrophobicContact CZ-CG2 4.44Å; L207-T331 PolarHBondContact N-O 2.92Å; T331-T366 CarbonylContact C-O 3.55Å; T331-T366 WeakPolarHBondContact CA-O 3.27Å
332I98.5Very high97.6Very high1 Ų127.9 Ų27.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-130.5125.8177.2-50.6179.2000108.9L207 I209 I326 A329 V357 A360 T366 T367 I368L207-I332 HydrophobicContact CD2-CG2 4.4Å; L207-I332 WeakPolarHBondContact O-CA 3.43Å; I209-I332 HydrophobicContact CD1-CG2 3.73Å; I209-I332 HydrophobicContact CG1-CG2 4.1Å; I326-I332 HydrophobicContact CG2-CD1 3.97Å; A329-I332 HydrophobicContact CB-CD1 3.99Å; A329-I332 HydrophobicContact CB-CG1 3.63Å; I332-V357 HydrophobicContact CD1-CG2 4.43Å; I332-V357 HydrophobicContact CG2-CG2 4.41Å; I332-A360 HydrophobicContact CD1-CB 3.88Å; I332-T366 PolarHBondContact N-O 2.81Å; I332-T367 HydrophobicContact CB-CG2 4.04Å; I332-T367 HydrophobicContact CD1-CG2 3.95Å; I332-T367 HydrophobicContact CG1-CG2 4.17Å; I332-T367 WeakPolarHBondContact O-CA 3.32Å; I332-I368 PolarHBondContact O-N 3.3Å
333V97.4Very high97.5Very high0 Ų028.7 Ų28.70%014%0.144CC..EExtended strand (participates in β ladder)trans-111.3124.6164.3168.50000107.9A198 F206 L207 A208 I209 I368 L401A198-V333 HydrophobicContact CB-CG2 3.99Å; F206-V333 HydrophobicContact CE2-CB 4.13Å; F206-V333 HydrophobicContact CE2-CG2 3.74Å; F206-V333 HydrophobicContact CZ-CB 4.43Å; F206-V333 HydrophobicContact CZ-CG2 3.84Å; L207-V333 PolarHBondContact O-N 3Å; A208-V333 CarbonylContact C-O 3.58Å; A208-V333 WeakPolarHBondContact CA-O 3.24Å; I209-V333 PolarHBondContact N-O 3.48Å; V333-I368 WeakPolarHBondContact CA-O 3.42Å; V333-I368 HydrophobicContact CG2-CB 4.27Å; V333-I368 HydrophobicContact CG2-CD1 4.45Å; V333-L401 HydrophobicContact CG1-CD1 3.49Å; V333-L401 VanDerWaalsContact CG1-CD1 3.49Å; V333-L401 HydrophobicContact CG1-CD2 3.59Å; V333-L401 HydrophobicContact CG1-CG 4.18Å; V333-L401 HydrophobicContact CG2-CD2 4.19Å
334W97.3Very high97.4Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-120.2123.1179.3-174.59.4000111.7I209 G336 T350 A353 M354 V357 I368 I369 G370 T374I209-W334 HydrophobicContact CB-CB 4.08Å; I209-W334 HydrophobicContact CB-CG 3.85Å; I209-W334 HydrophobicContact CD1-CB 4.39Å; I209-W334 HydrophobicContact CD1-CG 4.29Å; I209-W334 HydrophobicContact CG2-CD2 4.45Å; I209-W334 HydrophobicContact CG2-CG 3.98Å; I209-W334 WeakPolarHBondContact O-CA 3.42Å; W334-G336 PolarHBondContact NE1-O 3.34Å; W334-T350 HydrophobicContact CH2-CG2 4.34Å; W334-T350 HydrophobicContact CZ2-CG2 4.07Å; W334-A353 HydrophobicContact CH2-CB 3.95Å; W334-A353 HydrophobicContact CZ2-CB 4.03Å; W334-M354 HydrophobicContact CE3-CE 4.19Å; W334-M354 HydrophobicContact CE3-SD 4.45Å; W334-M354 HydrophobicContact CH2-CB 3.84Å; W334-M354 HydrophobicContact CH2-CE 3.67Å; W334-M354 HydrophobicContact CH2-SD 4.34Å; W334-M354 HydrophobicContact CZ3-CB 3.86Å; W334-M354 HydrophobicContact CZ3-CE 3.31Å; W334-M354 HydrophobicContact CZ3-CG 4.34Å; W334-M354 HydrophobicContact CZ3-SD 3.59Å; W334-M354 VanDerWaalsContact CZ3-SD 3.59Å; W334-V357 HydrophobicContact CE3-CB 4.48Å; W334-V357 HydrophobicContact CE3-CG2 3.98Å; W334-V357 HydrophobicContact CZ3-CG2 4.26Å; W334-I368 PolarHBondContact N-O 2.76Å; W334-I369 HydrophobicContact CB-CD1 4.05Å; W334-I369 HydrophobicContact CD2-CD1 4.38Å; W334-I369 HydrophobicContact CE3-CD1 3.66Å; W334-I369 HydrophobicContact CZ3-CD1 4.47Å; W334-G370 PolarHBondContact O-N 2.85Å; W334-G370 VanDerWaalsContact O-O 3.1Å; W334-T374 HydrophobicContact CD2-CG2 3.54Å; W334-T374 HydrophobicContact CE3-CG2 3.87Å; W334-T374 HydrophobicContact CG-CG2 3.83Å; W334-T374 HydrophobicContact CH2-CG2 4.47Å; W334-T374 HydrophobicContact CZ2-CG2 4.2Å; W334-T374 HydrophobicContact CZ3-CG2 4.31Å
335N95.5Very high97.3Very high3 Ų332.6 Ų32.62%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-137.7102.5177.8-169.2-100.9000112.1I209 L210 G211 K218 L221 G370 G371I209-N335 PolarHBondContact O-N 2.88Å; L210-N335 CarbonylContact C-O 3.47Å; L210-N335 WeakPolarHBondContact CA-O 3.39Å; L210-N335 HydrophobicContact CD2-CB 4.14Å; G211-N335 PolarHBondContact N-O 3.12Å; K218-N335 PolarHBondContact NZ-OD1 3.38Å; L221-N335 HydrophobicContact CD2-CB 4.47Å; N335-G370 WeakPolarHBondContact CA-O 3.34Å; N335-G370 PolarHBondContact ND2-O 2.8Å; N335-G371 VanDerWaalsContact ND2-CA 3.29Å; N335-G371 WeakPolarHBondContact ND2-CA 3.38Å; N335-G371 PolarHBondContact ND2-N 2.85Å; N335-G371 VanDerWaalsContact ND2-N 3.18Å
336G94.7Very high97.2Very high7 Ų732.4 Ų32.47%0.07216%0.163CC..SBendtrans107.6136.2176.100000113.8W334 T374W334-G336 PolarHBondContact NE1-O 3.34Å; G336-T374 WeakPolarHBondContact CA-OG1 3.38Å; G336-T374 PolarHBondContact N-OG1 3.43Å
337P96.5Very high97.2Very high14 Ų1432.7 Ų32.79%0.09117%0.166CC..  trans-70.6164.1179.231.8-36.7000112.5G211 F341 T350 D373G211-P337 WeakPolarHBondContact CA-O 3.18Å; P337-F341 HydrophobicContact CB-CD1 3.91Å; P337-F341 HydrophobicContact CG-CD1 3.87Å; P337-F341 HydrophobicContact CG-CE1 4.17Å; P337-T350 HydrophobicContact CB-CG2 3.61Å; P337-D373 HydrophobicContact CG-CB 4.36Å
338M97.9Very high97.2Very high3 Ų334.2 Ų34.22%0.01517%0.173CC..SBendtrans-83.2-24.5178-63.9-62.913700113I209 I233 G236 I314 F322 T350 A353I209-M338 HydrophobicContact CG2-CE 3.06Å; I233-M338 HydrophobicContact CG2-CE 4.04Å; I233-M338 HydrophobicContact CG2-SD 4.36Å; G236-M338 WeakPolarHBondContact CA-O 3.39Å; G236-M338 PolarHBondContact N-O 3.34Å; I314-M338 HydrophobicContact CD1-CB 4.01Å; I314-M338 HydrophobicContact CD1-CG 3.93Å; I314-M338 HydrophobicContact CD1-SD 4.43Å; I314-M338 HydrophobicContact CG1-CB 3.98Å; I314-M338 HydrophobicContact CG1-CG 4.46Å; I314-M338 HydrophobicContact CG2-CB 4.25Å; F322-M338 HydrophobicContact CD2-SD 4.28Å; F322-M338 HydrophobicContact CE2-SD 4.05Å; M338-T350 PolarHBondContact N-OG1 3.41Å; M338-A353 HydrophobicContact CG-CB 4.3Å
339G97.3Very high97.2Very high10 Ų1029.4 Ų29.410%0.10316%0.155CC..SBendtrans-150.5-177.3-177.200000112.4L312 F341 F346 T350L312-G339 CarbonylContact O-C 3.6Å; L312-G339 WeakPolarHBondContact O-CA 3.48Å; G339-F341 PolarHBondContact O-N 2.97Å; G339-F346 CarbonylContact C-O 3.59Å; G339-T350 PolarHBondContact N-OG1 2.77Å
340V97.1Very high97.2Very high24 Ų2429.2 Ų29.215%0.14515%0.153CC..  trans-76.972.8178.9-171.40000109.6F290 L312 E342 M343 F346F290-V340 HydrophobicContact CE1-CG1 4.48Å; F290-V340 HydrophobicContact CE2-CG1 4.13Å; F290-V340 HydrophobicContact CE2-CG2 3.7Å; F290-V340 HydrophobicContact CZ-CG1 3.67Å; F290-V340 HydrophobicContact CZ-CG2 4.06Å; L312-V340 HydrophobicContact CB-CG2 4.15Å; L312-V340 HydrophobicContact CD2-CG2 4.01Å; L312-V340 PolarHBondContact O-N 3.11Å; V340-E342 PolarHBondContact O-N 2.84Å; V340-M343 HydrophobicContact CG1-CE 4.39Å; V340-M343 HydrophobicContact CG1-CG 4.13Å; V340-M343 HydrophobicContact CG1-SD 4.22Å; V340-M343 PolarHBondContact O-N 3.46Å; V340-F346 CarbonylContact C-O 3.37Å; V340-F346 HydrophobicContact CB-CB 4.04Å; V340-F346 HydrophobicContact CB-CD2 4.45Å; V340-F346 PolarHBondContact N-O 3.16Å
341F96.2Very high97.2Very high11 Ų1127.6 Ų27.65%0.04815%0.146CC..THydrogen-bonded Turntrans-62-14.7-17174.3-84.5000114.7P337 G339 M343 A347 T350 D373 T376 C377 K380 W381P337-F341 HydrophobicContact CB-CD1 3.91Å; P337-F341 HydrophobicContact CG-CD1 3.87Å; P337-F341 HydrophobicContact CG-CE1 4.17Å; G339-F341 PolarHBondContact O-N 2.97Å; F341-M343 PolarHBondContact O-N 3.47Å; F341-A347 HydrophobicContact CB-CB 4.43Å; F341-T350 HydrophobicContact CB-CG2 4.44Å; F341-D373 HydrophobicContact CE1-CB 4.25Å; F341-T376 HydrophobicContact CE2-CG2 4.13Å; F341-T376 HydrophobicContact CZ-CG2 4.25Å; F341-C377 WeakPolarHBondContact CD2-SG 3.34Å; F341-C377 WeakPolarHBondContact CG-SG 3.45Å; F341-K380 HydrophobicContact CD2-CD 4.28Å; F341-K380 PolarHBondContact O-NZ 2.8Å; F341-W381 HydrophobicContact CB-CH2 4.2Å; F341-W381 HydrophobicContact CB-CZ2 4.49Å
342E95.5Very high97.2Very high116 Ų11628.5 Ų28.554%0.54215%0.154SC..THydrogen-bonded Turntrans-64.1-28.3172.8-61.388.4163.400111.9V340V340-E342 PolarHBondContact O-N 2.84Å
343M97.2Very high97.2Very high22 Ų2228.7 Ų28.711%0.10816%0.155CC..SBendtrans-106.1126.1178.5-56.2-178.4-177.100110F290 D292 V340 F341 K345 F346 A347F290-M343 HydrophobicContact CD1-CE 3.65Å; F290-M343 HydrophobicContact CE1-CE 3.46Å; F290-M343 VanDerWaalsContact CE1-CE 3.46Å; F290-M343 HydrophobicContact CG-CE 4.44Å; F290-M343 HydrophobicContact CZ-CE 4.15Å; D292-M343 WeakPolarHBondContact OD1-CA 3.49Å; D292-M343 VanDerWaalsContact OD1-CB 3.25Å; D292-M343 WeakPolarHBondContact OD1-CB 3.49Å; D292-M343 WeakPolarHBondContact OD1-CG 3.4Å; V340-M343 HydrophobicContact CG1-CE 4.39Å; V340-M343 HydrophobicContact CG1-CG 4.13Å; V340-M343 HydrophobicContact CG1-SD 4.22Å; V340-M343 PolarHBondContact O-N 3.46Å; F341-M343 PolarHBondContact O-N 3.47Å; M343-K345 VanDerWaalsContact C-N 3.25Å; M343-K345 PolarHBondContact O-N 3.22Å; M343-K345 VanDerWaalsContact O-N 3.13Å; M343-F346 HydrophobicContact CB-CD2 3.72Å; M343-F346 HydrophobicContact CB-CE2 4.33Å; M343-F346 HydrophobicContact CG-CD2 4.34Å; M343-F346 CarbonylContact O-C 3.54Å; M343-F346 PolarHBondContact O-N 3.2Å; M343-F346 HydrophobicContact SD-CD2 3.82Å; M343-F346 HydrophobicContact SD-CE2 3.85Å; M343-A347 PolarHBondContact O-N 2.72Å
344D95.6Very high97.2Very high128 Ų12828.7 Ų28.768%0.68416%0.155SC*.G310 helixtrans-59.4-33.9-170.8-72.8-19.4000113.6F346 A347 K380D344-F346 PolarHBondContact O-N 3.4Å; D344-A347 PolarHBondContact O-N 3.35Å; D344-K380 IonicContact OD1-NZ 3.07Å
345K96.5Very high97.3Very high87 Ų8731.5 Ų31.538%0.37817%0.171SC..G310 helixtrans-62.6-22.4176.2-71.5179.6179.2162.60113.8D292 A294 T296 M343D292-K345 WeakPolarHBondContact O-CD 3.3Å; D292-K345 VanDerWaalsContact O-CE 3.28Å; D292-K345 WeakPolarHBondContact O-CE 3.42Å; D292-K345 PolarHBondContact O-NZ 3.28Å; A294-K345 PolarHBondContact O-NZ 2.93Å; T296-K345 HydrophobicContact CG2-CB 4.47Å; T296-K345 HydrophobicContact CG2-CD 3.92Å; M343-K345 VanDerWaalsContact C-N 3.25Å; M343-K345 PolarHBondContact O-N 3.22Å; M343-K345 VanDerWaalsContact O-N 3.13Å
346F98Very high97.5Very high0 Ų032.4 Ų32.40%018%0.175CC..G310 helixtrans-120.816.8-173.9-46.8-54.9000112.5V285 A287 A294 T296 L312 D313 G339 V340 M343 D344V285-F346 HydrophobicContact CG1-CD1 4.01Å; V285-F346 HydrophobicContact CG1-CE1 4.07Å; A287-F346 HydrophobicContact CB-CE1 3.97Å; A287-F346 HydrophobicContact CB-CZ 3.59Å; A294-F346 HydrophobicContact CB-CZ 4.48Å; T296-F346 HydrophobicContact CG2-CE1 3.75Å; T296-F346 HydrophobicContact CG2-CZ 4Å; L312-F346 HydrophobicContact CB-CB 4.16Å; L312-F346 HydrophobicContact CB-CD1 3.59Å; L312-F346 HydrophobicContact CB-CD2 4.03Å; L312-F346 HydrophobicContact CB-CE1 3.99Å; L312-F346 HydrophobicContact CB-CE2 4.42Å; L312-F346 HydrophobicContact CB-CG 3.64Å; L312-F346 HydrophobicContact CB-CZ 4.41Å; L312-F346 HydrophobicContact CD1-CD1 4.35Å; L312-F346 HydrophobicContact CD1-CD2 3.82Å; L312-F346 HydrophobicContact CD1-CE1 4.05Å; L312-F346 HydrophobicContact CD1-CE2 3.52Å; L312-F346 HydrophobicContact CD1-CG 4.27Å; L312-F346 HydrophobicContact CD1-CZ 3.66Å; D313-F346 HydrophobicContact CB-CB 4.08Å; D313-F346 VanDerWaalsContact CG-O 3.24Å; D313-F346 VanDerWaalsContact OD2-C 3.22Å; G339-F346 CarbonylContact C-O 3.59Å; V340-F346 CarbonylContact C-O 3.37Å; V340-F346 HydrophobicContact CB-CB 4.04Å; V340-F346 HydrophobicContact CB-CD2 4.45Å; V340-F346 PolarHBondContact N-O 3.16Å; M343-F346 HydrophobicContact CB-CD2 3.72Å; M343-F346 HydrophobicContact CB-CE2 4.33Å; M343-F346 HydrophobicContact CG-CD2 4.34Å; M343-F346 CarbonylContact O-C 3.54Å; M343-F346 PolarHBondContact O-N 3.2Å; M343-F346 HydrophobicContact SD-CD2 3.82Å; M343-F346 HydrophobicContact SD-CE2 3.85Å; D344-F346 PolarHBondContact O-N 3.4Å
347A97.7Very high97.7Very high9 Ų932.1 Ų32.17%0.07417%0.171CC..  trans-97.1-15.8179.100000113.6F341 M343 D344 G349 T350 K351 W381F341-A347 HydrophobicContact CB-CB 4.43Å; M343-A347 PolarHBondContact O-N 2.72Å; D344-A347 PolarHBondContact O-N 3.35Å; A347-G349 PolarHBondContact O-N 3.18Å; A347-T350 PolarHBondContact O-N 3.03Å; A347-K351 WeakPolarHBondContact O-CB 3.48Å; A347-K351 PolarHBondContact O-N 2.78Å; A347-W381 HydrophobicContact CB-CZ2 4.29Å
348T98.2Very high97.8Very high84 Ų8432.7 Ų32.752%0.51518%0.175SC..Hα-helixtrans-61.3-46.2-169.2-60.10000112.3D313 I319 K351 A352D313-T348 PolarHBondContact OD2-N 2.9Å; D313-T348 VanDerWaalsContact OD2-N 3.12Å; I319-T348 HydrophobicContact CD1-CG2 4.16Å; T348-K351 PolarHBondContact O-N 3.02Å; T348-A352 WeakPolarHBondContact O-CB 3.25Å; T348-A352 PolarHBondContact O-N 3.39Å
349G98.5Very high97.8Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-65.5-43.4-179.700000112.8D313 I314 A347 A352 A353D313-G349 WeakPolarHBondContact OD1-CA 3.49Å; D313-G349 PolarHBondContact OD1-N 3.02Å; D313-G349 PolarHBondContact OD2-N 3.17Å; I314-G349 VanDerWaalsContact CG1-CA 3.47Å; A347-G349 PolarHBondContact O-N 3.18Å; G349-A352 PolarHBondContact O-N 3.01Å; G349-A353 PolarHBondContact O-N 3.14Å
350T98.3Very high97.9Very high0 Ų037.2 Ų37.20%019%0.192CC..Hα-helixtrans-64.7-42.5175.6-54.80000111.1W334 P337 M338 G339 F341 A347 A353 M354 C377 W381W334-T350 HydrophobicContact CH2-CG2 4.34Å; W334-T350 HydrophobicContact CZ2-CG2 4.07Å; P337-T350 HydrophobicContact CB-CG2 3.61Å; M338-T350 PolarHBondContact N-OG1 3.41Å; G339-T350 PolarHBondContact N-OG1 2.77Å; F341-T350 HydrophobicContact CB-CG2 4.44Å; A347-T350 PolarHBondContact O-N 3.03Å; T350-A353 PolarHBondContact O-N 2.95Å; T350-M354 PolarHBondContact O-N 3.41Å; T350-C377 HydrophobicContact CG2-CB 4.48Å; T350-W381 HydrophobicContact CG2-CH2 3.71Å; T350-W381 HydrophobicContact CG2-CZ3 3.85Å
351K98.5Very high97.9Very high57 Ų5737.1 Ų37.125%0.24819%0.192CC..Hα-helixtrans-62.8-44176.3179.762.7173113.30112A347 T348 M354 D355 W381A347-K351 WeakPolarHBondContact O-CB 3.48Å; A347-K351 PolarHBondContact O-N 2.78Å; T348-K351 PolarHBondContact O-N 3.02Å; K351-M354 WeakPolarHBondContact O-CB 3.04Å; K351-M354 PolarHBondContact O-N 3.45Å; K351-M354 VanDerWaalsContact O-N 3.15Å; K351-D355 IonicContact NZ-OD1 3.42Å; K351-D355 PolarHBondContact NZ-OD1 3.15Å; K351-D355 IonicContact NZ-OD2 3.24Å; K351-D355 PolarHBondContact NZ-OD2 3.16Å; K351-D355 PolarHBondContact O-N 3.17Å; K351-W381 HydrophobicContact CB-CH2 4.07Å; K351-W381 HydrophobicContact CB-CZ2 4Å; K351-W381 HydrophobicContact CB-CZ3 4.37Å; K351-W381 HydrophobicContact CD-CB 4.21Å; K351-W381 HydrophobicContact CD-CD2 3.44Å; K351-W381 VanDerWaalsContact CD-CD2 3.44Å; K351-W381 HydrophobicContact CD-CE3 3.82Å; K351-W381 HydrophobicContact CD-CG 3.6Å; K351-W381 HydrophobicContact CD-CZ2 4.3Å; K351-W381 HydrophobicContact CD-CZ3 4.37Å
352A98.6Very high98Very high22 Ų2245.5 Ų45.518%0.18223%0.228CC..Hα-helixtrans-64.2-40.9178.900000112.1I319 T348 G349 M354 D355 E356I319-A352 HydrophobicContact CD1-CB 4.29Å; I319-A352 HydrophobicContact CG1-CB 4.28Å; I319-A352 HydrophobicContact CG2-CB 3.57Å; T348-A352 WeakPolarHBondContact O-CB 3.25Å; T348-A352 PolarHBondContact O-N 3.39Å; G349-A352 PolarHBondContact O-N 3.01Å; A352-M354 VanDerWaalsContact C-N 3.33Å; A352-M354 PolarHBondContact O-N 2.85Å; A352-D355 PolarHBondContact O-N 2.97Å; A352-E356 PolarHBondContact O-N 3.34Å
353A98.6Very high98.2Very high5 Ų545.6 Ų45.64%0.04123%0.232CC..Hα-helixtrans-60.3-42.9171.700000111.5I326 W334 M338 G349 T350 E356 V357I326-A353 HydrophobicContact CD1-CB 4.13Å; W334-A353 HydrophobicContact CH2-CB 3.95Å; W334-A353 HydrophobicContact CZ2-CB 4.03Å; M338-A353 HydrophobicContact CG-CB 4.3Å; G349-A353 PolarHBondContact O-N 3.14Å; T350-A353 PolarHBondContact O-N 2.95Å; A353-E356 PolarHBondContact O-N 3.24Å; A353-V357 VanDerWaalsContact O-CG2 3.3Å; A353-V357 WeakPolarHBondContact O-CG2 3.37Å; A353-V357 PolarHBondContact O-N 2.91Å
354M98.6Very high98.2Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-60.1-47.5175.3-172.56668.400112.8W334 T350 K351 A352 E356 V357 V358 C377 C378 W381 T383W334-M354 HydrophobicContact CE3-CE 4.19Å; W334-M354 HydrophobicContact CE3-SD 4.45Å; W334-M354 HydrophobicContact CH2-CB 3.84Å; W334-M354 HydrophobicContact CH2-CE 3.67Å; W334-M354 HydrophobicContact CH2-SD 4.34Å; W334-M354 HydrophobicContact CZ3-CB 3.86Å; W334-M354 HydrophobicContact CZ3-CE 3.31Å; W334-M354 HydrophobicContact CZ3-CG 4.34Å; W334-M354 HydrophobicContact CZ3-SD 3.59Å; W334-M354 VanDerWaalsContact CZ3-SD 3.59Å; T350-M354 PolarHBondContact O-N 3.41Å; K351-M354 WeakPolarHBondContact O-CB 3.04Å; K351-M354 PolarHBondContact O-N 3.45Å; K351-M354 VanDerWaalsContact O-N 3.15Å; A352-M354 VanDerWaalsContact C-N 3.33Å; A352-M354 PolarHBondContact O-N 2.85Å; M354-E356 VanDerWaalsContact C-N 3.25Å; M354-E356 PolarHBondContact O-N 3Å; M354-V357 PolarHBondContact O-N 3.48Å; M354-V358 WeakPolarHBondContact O-CG2 3.46Å; M354-V358 PolarHBondContact O-N 3.27Å; M354-C377 HydrophobicContact CE-CB 4.11Å; M354-C378 HydrophobicContact CE-CB 4.23Å; M354-C378 WeakPolarHBondContact CE-SG 3.18Å; M354-W381 HydrophobicContact CB-CE3 4.24Å; M354-W381 HydrophobicContact CB-CZ3 4.35Å; M354-W381 HydrophobicContact CE-CE3 4.47Å; M354-W381 HydrophobicContact CG-CE3 4.25Å; M354-T383 HydrophobicContact CG-CG2 3.98Å; M354-T383 PolarHBondContact SD-OG1 3.37Å
355D98.6Very high98.3Very high60 Ų6041.1 Ų41.132%0.32122%0.221SC..Hα-helixtrans-62-36.8179.6-73.2-29.9000111.6K351 A352 K359K351-D355 IonicContact NZ-OD1 3.42Å; K351-D355 PolarHBondContact NZ-OD1 3.15Å; K351-D355 IonicContact NZ-OD2 3.24Å; K351-D355 PolarHBondContact NZ-OD2 3.16Å; K351-D355 PolarHBondContact O-N 3.17Å; A352-D355 PolarHBondContact O-N 2.97Å; D355-K359 WeakPolarHBondContact O-CG 3.41Å; D355-K359 PolarHBondContact O-N 3.19Å
356E98.7Very high98.4Very high22 Ų2238.4 Ų38.410%0.10321%0.212CC..Hα-helixtrans-73.1-37.4176-159.358.9-142.200112.9I326 S327 A352 A353 M354 V358 K359 A360I326-E356 HydrophobicContact CB-CB 4.21Å; I326-E356 HydrophobicContact CB-CG 3.81Å; I326-E356 HydrophobicContact CD1-CB 4.39Å; I326-E356 HydrophobicContact CG2-CB 3.81Å; I326-E356 HydrophobicContact CG2-CG 3.67Å; S327-E356 VanDerWaalsContact CB-OE1 3.26Å; S327-E356 WeakPolarHBondContact CB-OE1 3.38Å; A352-E356 PolarHBondContact O-N 3.34Å; A353-E356 PolarHBondContact O-N 3.24Å; M354-E356 VanDerWaalsContact C-N 3.25Å; M354-E356 PolarHBondContact O-N 3Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 3.16Å; E356-K359 PolarHBondContact O-N 3.38Å; E356-K359 WeakPolarHBondContact OE2-CD 3.43Å; E356-K359 IonicContact OE2-NZ 3.36Å; E356-K359 PolarHBondContact OE2-NZ 3.13Å; E356-A360 WeakPolarHBondContact O-CB 3.4Å; E356-A360 PolarHBondContact O-N 3.23Å
357V98.8Very high98.4Very high0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-62.1-40.6172.91690000110.8I209 I326 I332 W334 A353 M354 A360 T361 T367 I369 V387I209-V357 HydrophobicContact CD1-CG2 3.95Å; I326-V357 HydrophobicContact CG2-CB 4.42Å; I326-V357 HydrophobicContact CG2-CG2 3.7Å; I332-V357 HydrophobicContact CD1-CG2 4.43Å; I332-V357 HydrophobicContact CG2-CG2 4.41Å; W334-V357 HydrophobicContact CE3-CB 4.48Å; W334-V357 HydrophobicContact CE3-CG2 3.98Å; W334-V357 HydrophobicContact CZ3-CG2 4.26Å; A353-V357 VanDerWaalsContact O-CG2 3.3Å; A353-V357 WeakPolarHBondContact O-CG2 3.37Å; A353-V357 PolarHBondContact O-N 2.91Å; M354-V357 PolarHBondContact O-N 3.48Å; V357-A360 PolarHBondContact O-N 3.46Å; V357-T361 PolarHBondContact O-N 2.77Å; V357-T361 PolarHBondContact O-OG1 2.88Å; V357-T367 HydrophobicContact CG1-CG2 3.92Å; V357-I369 HydrophobicContact CG1-CD1 4.39Å; V357-V387 HydrophobicContact CG1-CG1 4.13Å
358V98.7Very high98.3Very high27 Ų2738 Ų3816%0.16421%0.209CC..Hα-helixtrans-62.4-44.6174.1165.40000111.2M354 E356 T361 K362 T383 K386 V387M354-V358 WeakPolarHBondContact O-CG2 3.46Å; M354-V358 PolarHBondContact O-N 3.27Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 3.16Å; V358-T361 WeakPolarHBondContact O-CB 3.44Å; V358-T361 PolarHBondContact O-N 3.35Å; V358-K362 PolarHBondContact O-N 3.01Å; V358-T383 HydrophobicContact CG2-CG2 3.94Å; V358-K386 HydrophobicContact CB-CB 4.49Å; V358-K386 HydrophobicContact CG1-CB 3.85Å; V358-K386 HydrophobicContact CG1-CD 4.31Å; V358-K386 HydrophobicContact CG2-CB 3.87Å; V358-V387 HydrophobicContact CG2-CG1 4.19Å
359K98.7Very high98.2Very high105 Ų10534.1 Ų34.146%0.45719%0.185SC..Hα-helixtrans-62-45175.2-71.1176.2-149156.90112.1D355 E356 T361 K362 N363D355-K359 WeakPolarHBondContact O-CG 3.41Å; D355-K359 PolarHBondContact O-N 3.19Å; E356-K359 PolarHBondContact O-N 3.38Å; E356-K359 WeakPolarHBondContact OE2-CD 3.43Å; E356-K359 IonicContact OE2-NZ 3.36Å; E356-K359 PolarHBondContact OE2-NZ 3.13Å; K359-T361 VanDerWaalsContact C-N 3.3Å; K359-T361 PolarHBondContact O-N 3.26Å; K359-K362 PolarHBondContact O-N 3.4Å; K359-N363 VanDerWaalsContact O-CG 3.25Å; K359-N363 PolarHBondContact O-N 2.94Å; K359-N363 PolarHBondContact O-ND2 2.82Å
360A98.7Very high97.9Very high2 Ų234.1 Ų34.12%0.01719%0.185CC..Hα-helixtrans-59.4-42.6176.600000111.2I332 E356 V357 N363 G364 A365I332-A360 HydrophobicContact CD1-CB 3.88Å; E356-A360 WeakPolarHBondContact O-CB 3.4Å; E356-A360 PolarHBondContact O-N 3.23Å; V357-A360 PolarHBondContact O-N 3.46Å; A360-N363 CarbonylContact O-C 3.57Å; A360-N363 WeakPolarHBondContact O-CA 3.34Å; A360-N363 PolarHBondContact O-N 3.46Å; A360-N363 VanDerWaalsContact O-N 3.1Å; A360-G364 PolarHBondContact O-N 3.14Å; A360-A365 HydrophobicContact CB-CB 4.08Å; A360-A365 VanDerWaalsContact O-CB 3.24Å; A360-A365 WeakPolarHBondContact O-CB 3.25Å; A360-A365 PolarHBondContact O-N 3.23Å
361T98.5Very high97.3Very high23 Ų2334.6 Ų34.614%0.14119%0.19CC..Hα-helixtrans-59.1-48.6174.9-50.40000111.4V357 V358 K359 N363 G364 T367V357-T361 PolarHBondContact O-N 2.77Å; V357-T361 PolarHBondContact O-OG1 2.88Å; V358-T361 WeakPolarHBondContact O-CB 3.44Å; V358-T361 PolarHBondContact O-N 3.35Å; K359-T361 VanDerWaalsContact C-N 3.3Å; K359-T361 PolarHBondContact O-N 3.26Å; T361-N363 PolarHBondContact O-N 3.34Å; T361-G364 PolarHBondContact O-N 2.79Å; T361-T367 WeakPolarHBondContact OG1-CB 3.16Å; T361-T367 WeakPolarHBondContact OG1-CG2 3.45Å; T361-T367 PolarHBondContact OG1-OG1 2.97Å
362K98.3Very high96.7Very high186 Ų18633.7 Ų33.781%0.80920%0.197SC*.Hα-helixtrans-59.1-30.6176.5-175.5178.3177.2-179.10112.4V358 K359 G364V358-K362 PolarHBondContact O-N 3.01Å; K359-K362 PolarHBondContact O-N 3.4Å; K362-G364 PolarHBondContact O-N 3.16Å
363N98.1Very high96.4Very high118 Ų11837.1 Ų37.163%0.63121%0.212SC*.THydrogen-bonded Turntrans-84.79.1176.5-65.5-18.5000113.7K359 A360 T361K359-N363 VanDerWaalsContact O-CG 3.25Å; K359-N363 PolarHBondContact O-N 2.94Å; K359-N363 PolarHBondContact O-ND2 2.82Å; A360-N363 CarbonylContact O-C 3.57Å; A360-N363 WeakPolarHBondContact O-CA 3.34Å; A360-N363 PolarHBondContact O-N 3.46Å; A360-N363 VanDerWaalsContact O-N 3.1Å; T361-N363 PolarHBondContact O-N 3.34Å
364G97.4Very high96.2Very high51 Ų5136.9 Ų36.953%0.52621%0.21SC..THydrogen-bonded Turntrans97.34.8173.800000115.5A360 T361 K362A360-G364 PolarHBondContact O-N 3.14Å; T361-G364 PolarHBondContact O-N 2.79Å; K362-G364 PolarHBondContact O-N 3.16Å
365A98.1Very high95.9Very high5 Ų537.8 Ų37.84%0.04122%0.217CC..  trans-69.814217300000111.1A329 K330 A360 T367 S388A329-A365 WeakPolarHBondContact O-CB 3.45Å; K330-A365 CarbonylContact O-C 3.52Å; K330-A365 VanDerWaalsContact O-CA 3.26Å; K330-A365 WeakPolarHBondContact O-CA 3.32Å; A360-A365 HydrophobicContact CB-CB 4.08Å; A360-A365 VanDerWaalsContact O-CB 3.24Å; A360-A365 WeakPolarHBondContact O-CB 3.25Å; A360-A365 PolarHBondContact O-N 3.23Å; A365-T367 HydrophobicContact CB-CG2 4.32Å; A365-S388 PolarHBondContact O-OG 3.46Å
366T97.6Very high95.5Very high31 Ų3138.6 Ų38.619%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-81.3120.5167.6-64.60000109.3Y194 K330 T331 I332Y194-T366 HydrophobicContact CD1-CG2 4.28Å; Y194-T366 HydrophobicContact CE1-CG2 4.44Å; K330-T366 PolarHBondContact O-N 2.86Å; T331-T366 CarbonylContact C-O 3.55Å; T331-T366 WeakPolarHBondContact CA-O 3.27Å; I332-T366 PolarHBondContact N-O 2.81Å
367T97.9Very high95.4Very high0 Ų037.5 Ų37.50%022%0.22CC..EExtended strand (participates in β ladder)trans-121.8125.3-176.360.20000111.9I332 V357 T361 A365 V387 S388 H389I332-T367 HydrophobicContact CB-CG2 4.04Å; I332-T367 HydrophobicContact CD1-CG2 3.95Å; I332-T367 HydrophobicContact CG1-CG2 4.17Å; I332-T367 WeakPolarHBondContact O-CA 3.32Å; V357-T367 HydrophobicContact CG1-CG2 3.92Å; T361-T367 WeakPolarHBondContact OG1-CB 3.16Å; T361-T367 WeakPolarHBondContact OG1-CG2 3.45Å; T361-T367 PolarHBondContact OG1-OG1 2.97Å; A365-T367 HydrophobicContact CB-CG2 4.32Å; T367-V387 WeakPolarHBondContact OG1-CB 3.33Å; T367-S388 PolarHBondContact N-OG 2.86Å; T367-S388 VanDerWaalsContact O-CB 3.27Å; T367-S388 WeakPolarHBondContact O-CB 3.43Å; T367-S388 PolarHBondContact O-N 3.01Å; T367-S388 PolarHBondContact OG1-N 3.23Å; T367-S388 PolarHBondContact OG1-OG 2.99Å; T367-H389 PolarHBondContact O-N 3.35Å
368I96.7Very high95.2Very high1 Ų137.5 Ų37.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-119.9116.3-178.5-58.3174.9000108.9Y194 F195 A198 I332 V333 W334 H389Y194-I368 HydrophobicContact CD1-CG1 4.4Å; Y194-I368 WeakPolarHBondContact O-CD1 3.22Å; F195-I368 HydrophobicContact CD1-CG2 4.48Å; F195-I368 HydrophobicContact CE1-CG2 3.86Å; F195-I368 HydrophobicContact CZ-CG2 3.93Å; A198-I368 HydrophobicContact CB-CD1 3.44Å; A198-I368 VanDerWaalsContact CB-CD1 3.44Å; I332-I368 PolarHBondContact O-N 3.3Å; V333-I368 WeakPolarHBondContact CA-O 3.42Å; V333-I368 HydrophobicContact CG2-CB 4.27Å; V333-I368 HydrophobicContact CG2-CD1 4.45Å; W334-I368 PolarHBondContact N-O 2.76Å; I368-H389 WeakPolarHBondContact CA-O 3.44Å
369I95.6Very high94.9Very high1 Ų138.2 Ų38.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-92.5117.2174-54.1-58.8000108.6W334 V357 T374 V387 H389 V390 S391W334-I369 HydrophobicContact CB-CD1 4.05Å; W334-I369 HydrophobicContact CD2-CD1 4.38Å; W334-I369 HydrophobicContact CE3-CD1 3.66Å; W334-I369 HydrophobicContact CZ3-CD1 4.47Å; V357-I369 HydrophobicContact CG1-CD1 4.39Å; I369-T374 HydrophobicContact CD1-CG2 4.43Å; I369-T374 HydrophobicContact CG2-CG2 3.54Å; I369-V387 HydrophobicContact CD1-CG1 4.46Å; I369-V387 HydrophobicContact CG1-CB 4.29Å; I369-V387 HydrophobicContact CG1-CG1 4.28Å; I369-V387 HydrophobicContact CG1-CG2 3.93Å; I369-H389 PolarHBondContact N-O 3.36Å; I369-V390 HydrophobicContact CB-CB 4.46Å; I369-V390 HydrophobicContact CB-CG1 4.33Å; I369-V390 HydrophobicContact CB-CG2 4.21Å; I369-V390 HydrophobicContact CG1-CG2 4.29Å; I369-V390 HydrophobicContact CG2-CG1 4.34Å; I369-S391 WeakPolarHBondContact O-CB 3.19Å; I369-S391 PolarHBondContact O-N 3.32Å
370G91.6Very high94.6Very high0 Ų037.3 Ų37.30%022%0.224CC..EExtended strand (participates in β ladder)trans-118.4157.9176.900000111.9W334 N335W334-G370 PolarHBondContact O-N 2.85Å; W334-G370 VanDerWaalsContact O-O 3.1Å; N335-G370 WeakPolarHBondContact CA-O 3.34Å; N335-G370 PolarHBondContact ND2-O 2.8Å
371G86.8Confident94.5Very high10 Ų1039.2 Ų39.210%0.10323%0.231CC..SBendtrans83.2146.4-179.700000113.6N335 D373 A375 S397N335-G371 VanDerWaalsContact ND2-CA 3.29Å; N335-G371 WeakPolarHBondContact ND2-CA 3.38Å; N335-G371 PolarHBondContact ND2-N 2.85Å; N335-G371 VanDerWaalsContact ND2-N 3.18Å; G371-D373 PolarHBondContact O-N 2.85Å; G371-A375 WeakPolarHBondContact O-CB 3.46Å; G371-A375 PolarHBondContact O-N 2.99Å; G371-A375 VanDerWaalsContact O-N 3.12Å; G371-S397 PolarHBondContact N-OG 3.39Å
372G86.7Confident94.4Very high38 Ų3843.9 Ų43.939%0.39226%0.255SS..Hα-helixtrans-63-42.4-17400000113.4A375 T376G372-A375 PolarHBondContact O-N 2.93Å; G372-T376 WeakPolarHBondContact O-CB 3.39Å; G372-T376 PolarHBondContact O-N 2.79Å; G372-T376 PolarHBondContact O-OG1 3.12Å
373D91.3Very high94.4Very high94 Ų9435.1 Ų35.150%0.50322%0.217SC..Hα-helixtrans-69.5-42.2-175-55.4-23.7000111.6P337 F341 G371 T376 C377P337-D373 HydrophobicContact CG-CB 4.36Å; F341-D373 HydrophobicContact CE1-CB 4.25Å; G371-D373 PolarHBondContact O-N 2.85Å; D373-T376 WeakPolarHBondContact O-CB 3.48Å; D373-T376 PolarHBondContact O-N 2.91Å; D373-C377 PolarHBondContact O-N 2.85Å; D373-C377 PolarHBondContact O-SG 2.79Å
374T93.9Very high94.2Very high0 Ų033 Ų330%020%0.204CC..Hα-helixtrans-68.8-38176.5-47.70000111.8W334 G336 I369 T376 C377 C378W334-T374 HydrophobicContact CD2-CG2 3.54Å; W334-T374 HydrophobicContact CE3-CG2 3.87Å; W334-T374 HydrophobicContact CG-CG2 3.83Å; W334-T374 HydrophobicContact CH2-CG2 4.47Å; W334-T374 HydrophobicContact CZ2-CG2 4.2Å; W334-T374 HydrophobicContact CZ3-CG2 4.31Å; G336-T374 WeakPolarHBondContact CA-OG1 3.38Å; G336-T374 PolarHBondContact N-OG1 3.43Å; I369-T374 HydrophobicContact CD1-CG2 4.43Å; I369-T374 HydrophobicContact CG2-CG2 3.54Å; T374-T376 VanDerWaalsContact C-N 3.28Å; T374-T376 PolarHBondContact O-N 2.85Å; T374-C377 WeakPolarHBondContact O-CB 3.37Å; T374-C377 PolarHBondContact O-N 3.18Å; T374-C378 PolarHBondContact O-N 3.48Å
375A92.2Very high94.1Very high19 Ų1937.1 Ų37.116%0.15721%0.213CC..Hα-helixtrans-62-38.4171.300000111.7G371 G372 C377 C378 A379 V390G371-A375 WeakPolarHBondContact O-CB 3.46Å; G371-A375 PolarHBondContact O-N 2.99Å; G371-A375 VanDerWaalsContact O-N 3.12Å; G372-A375 PolarHBondContact O-N 2.93Å; A375-C377 VanDerWaalsContact C-N 3.35Å; A375-C378 WeakPolarHBondContact O-CB 3.32Å; A375-C378 PolarHBondContact O-N 3.38Å; A375-A379 PolarHBondContact O-N 3.2Å; A375-A379 VanDerWaalsContact O-N 3.07Å; A375-V390 HydrophobicContact CB-CG1 3.81Å
376T91.9Very high94.1Very high77 Ų7741.6 Ų41.647%0.47223%0.232SC..Hα-helixtrans-64.6-39.6175.4-580000111.3F341 G372 D373 T374 A379 K380F341-T376 HydrophobicContact CE2-CG2 4.13Å; F341-T376 HydrophobicContact CZ-CG2 4.25Å; G372-T376 WeakPolarHBondContact O-CB 3.39Å; G372-T376 PolarHBondContact O-N 2.79Å; G372-T376 PolarHBondContact O-OG1 3.12Å; D373-T376 WeakPolarHBondContact O-CB 3.48Å; D373-T376 PolarHBondContact O-N 2.91Å; T374-T376 VanDerWaalsContact C-N 3.28Å; T374-T376 PolarHBondContact O-N 2.85Å; T376-A379 PolarHBondContact O-N 2.96Å; T376-K380 WeakPolarHBondContact O-CB 3.05Å; T376-K380 PolarHBondContact O-N 3.4Å
377C94.9Very high94.1Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-61-43.3171.5-67.10000112F341 T350 M354 D373 T374 A375 A379 K380 W381F341-C377 WeakPolarHBondContact CD2-SG 3.34Å; F341-C377 WeakPolarHBondContact CG-SG 3.45Å; T350-C377 HydrophobicContact CG2-CB 4.48Å; M354-C377 HydrophobicContact CE-CB 4.11Å; D373-C377 PolarHBondContact O-N 2.85Å; D373-C377 PolarHBondContact O-SG 2.79Å; T374-C377 WeakPolarHBondContact O-CB 3.37Å; T374-C377 PolarHBondContact O-N 3.18Å; A375-C377 VanDerWaalsContact C-N 3.35Å; C377-A379 VanDerWaalsContact C-N 3.33Å; C377-A379 PolarHBondContact O-N 2.9Å; C377-K380 PolarHBondContact O-N 3.09Å; C377-W381 HydrophobicContact CB-CE3 4.01Å; C377-W381 HydrophobicContact CB-CH2 4.16Å; C377-W381 HydrophobicContact CB-CZ3 3.54Å; C377-W381 PolarHBondContact O-N 3.44Å
378C94.7Very high94Very high0 Ų042 Ų420%024%0.235CC..Hα-helixtrans-58.2-45.8176.8-80.70000112.2M354 T374 A375 D382 T383 E384 V390M354-C378 HydrophobicContact CE-CB 4.23Å; M354-C378 WeakPolarHBondContact CE-SG 3.18Å; T374-C378 PolarHBondContact O-N 3.48Å; A375-C378 WeakPolarHBondContact O-CB 3.32Å; A375-C378 PolarHBondContact O-N 3.38Å; C378-D382 PolarHBondContact O-N 3.08Å; C378-T383 VanDerWaalsContact CA-OG1 3.28Å; C378-T383 WeakPolarHBondContact CA-OG1 3.12Å; C378-T383 PolarHBondContact O-N 3.27Å; C378-T383 PolarHBondContact O-OG1 3.41Å; C378-T383 VanDerWaalsContact O-OG1 3.04Å; C378-E384 HydrophobicContact CB-CG 3.9Å; C378-V390 HydrophobicContact CB-CG2 4.44Å
379A92.5Very high93.9Very high41 Ų4142.3 Ų42.334%0.33924%0.237SC..Hα-helixtrans-67.2-43.5177.500000112.1A375 T376 C377 W381 D382 E384A375-A379 PolarHBondContact O-N 3.2Å; A375-A379 VanDerWaalsContact O-N 3.07Å; T376-A379 PolarHBondContact O-N 2.96Å; C377-A379 VanDerWaalsContact C-N 3.33Å; C377-A379 PolarHBondContact O-N 2.9Å; A379-W381 PolarHBondContact O-N 3.1Å; A379-W381 VanDerWaalsContact O-N 3.14Å; A379-D382 PolarHBondContact O-N 2.86Å; A379-E384 HydrophobicContact CB-CG 4.41Å
380K93.7Very high93.9Very high87 Ų8743.4 Ų43.438%0.37824%0.244SC..Hα-helixtrans-55.7-31.8178.3178.8175.2175.1171.70112.7F341 D344 T376 C377F341-K380 HydrophobicContact CD2-CD 4.28Å; F341-K380 PolarHBondContact O-NZ 2.8Å; D344-K380 IonicContact OD1-NZ 3.07Å; T376-K380 WeakPolarHBondContact O-CB 3.05Å; T376-K380 PolarHBondContact O-N 3.4Å; C377-K380 PolarHBondContact O-N 3.09Å
381W96.5Very high93.9Very high42 Ų4243.6 Ų43.616%0.15925%0.245CC..THydrogen-bonded Turntrans-113.916.8-176-58.2-49.9000114.4F341 A347 T350 K351 M354 C377 A379 T383F341-W381 HydrophobicContact CB-CH2 4.2Å; F341-W381 HydrophobicContact CB-CZ2 4.49Å; A347-W381 HydrophobicContact CB-CZ2 4.29Å; T350-W381 HydrophobicContact CG2-CH2 3.71Å; T350-W381 HydrophobicContact CG2-CZ3 3.85Å; K351-W381 HydrophobicContact CB-CH2 4.07Å; K351-W381 HydrophobicContact CB-CZ2 4Å; K351-W381 HydrophobicContact CB-CZ3 4.37Å; K351-W381 HydrophobicContact CD-CB 4.21Å; K351-W381 HydrophobicContact CD-CD2 3.44Å; K351-W381 VanDerWaalsContact CD-CD2 3.44Å; K351-W381 HydrophobicContact CD-CE3 3.82Å; K351-W381 HydrophobicContact CD-CG 3.6Å; K351-W381 HydrophobicContact CD-CZ2 4.3Å; K351-W381 HydrophobicContact CD-CZ3 4.37Å; M354-W381 HydrophobicContact CB-CE3 4.24Å; M354-W381 HydrophobicContact CB-CZ3 4.35Å; M354-W381 HydrophobicContact CE-CE3 4.47Å; M354-W381 HydrophobicContact CG-CE3 4.25Å; C377-W381 HydrophobicContact CB-CE3 4.01Å; C377-W381 HydrophobicContact CB-CH2 4.16Å; C377-W381 HydrophobicContact CB-CZ3 3.54Å; C377-W381 PolarHBondContact O-N 3.44Å; A379-W381 PolarHBondContact O-N 3.1Å; A379-W381 VanDerWaalsContact O-N 3.14Å; W381-T383 HydrophobicContact CB-CG2 4.4Å; W381-T383 WeakPolarHBondContact O-CG2 3.26Å; W381-T383 PolarHBondContact O-N 2.69Å
382D96.5Very high93.6Very high120 Ų12045.8 Ų45.864%0.64226%0.256SS*.THydrogen-bonded Turntrans51.852.3176.8-54.7-57.2000112.5C378 A379 K386C378-D382 PolarHBondContact O-N 3.08Å; A379-D382 PolarHBondContact O-N 2.86Å; D382-K386 WeakPolarHBondContact O-CE 3.35Å; D382-K386 PolarHBondContact O-NZ 3.38Å
383T97.2Very high93.5Very high3 Ų344.1 Ų44.12%0.01824%0.239CC..  trans-120.62.3-178.254.90000114.2M354 V358 C378 W381 D385 K386 V387M354-T383 HydrophobicContact CG-CG2 3.98Å; M354-T383 PolarHBondContact SD-OG1 3.37Å; V358-T383 HydrophobicContact CG2-CG2 3.94Å; C378-T383 VanDerWaalsContact CA-OG1 3.28Å; C378-T383 WeakPolarHBondContact CA-OG1 3.12Å; C378-T383 PolarHBondContact O-N 3.27Å; C378-T383 PolarHBondContact O-OG1 3.41Å; C378-T383 VanDerWaalsContact O-OG1 3.04Å; W381-T383 HydrophobicContact CB-CG2 4.4Å; W381-T383 WeakPolarHBondContact O-CG2 3.26Å; W381-T383 PolarHBondContact O-N 2.69Å; T383-D385 PolarHBondContact O-N 3.24Å; T383-K386 HydrophobicContact CG2-CD 4.31Å; T383-K386 PolarHBondContact O-N 2.89Å; T383-V387 PolarHBondContact O-N 3.46Å
384E94.1Very high93.2Very high74 Ų7440.9 Ų40.935%0.34623%0.228SC..THydrogen-bonded Turntrans-58-35.2-178.8-65.8176.1107.200112.9Q37 C378 A379 V390Q37-E384 PolarHBondContact NE2-OE1 3.34Å; C378-E384 HydrophobicContact CB-CG 3.9Å; A379-E384 HydrophobicContact CB-CG 4.41Å; E384-V390 HydrophobicContact CB-CG2 4.26Å; E384-V390 HydrophobicContact CG-CG2 4.4Å
385D94.8Very high92.8Very high136 Ų13642.5 Ų42.573%0.72725%0.245SC*.THydrogen-bonded Turntrans-87.4-4.1177.868.2-41.3000113.6T383T383-D385 PolarHBondContact O-N 3.24Å
386K98Very high92.8Very high100 Ų10041.6 Ų41.644%0.43524%0.237SC..THydrogen-bonded Turntrans-104.2-4-176.7-59.7176-171.31510113.5V358 D382 T383V358-K386 HydrophobicContact CB-CB 4.49Å; V358-K386 HydrophobicContact CG1-CB 3.85Å; V358-K386 HydrophobicContact CG1-CD 4.31Å; V358-K386 HydrophobicContact CG2-CB 3.87Å; D382-K386 WeakPolarHBondContact O-CE 3.35Å; D382-K386 PolarHBondContact O-NZ 3.38Å; T383-K386 HydrophobicContact CG2-CD 4.31Å; T383-K386 PolarHBondContact O-N 2.89Å
387V97.9Very high92.8Very high11 Ų1138 Ų387%0.06722%0.215CC..SBendtrans-110.2162.8172.4-62.80000109.7V357 V358 T367 I369 T383 V390V357-V387 HydrophobicContact CG1-CG1 4.13Å; V358-V387 HydrophobicContact CG2-CG1 4.19Å; T367-V387 WeakPolarHBondContact OG1-CB 3.33Å; I369-V387 HydrophobicContact CD1-CG1 4.46Å; I369-V387 HydrophobicContact CG1-CB 4.29Å; I369-V387 HydrophobicContact CG1-CG1 4.28Å; I369-V387 HydrophobicContact CG1-CG2 3.93Å; T383-V387 PolarHBondContact O-N 3.46Å; V387-V390 HydrophobicContact CG2-CG2 3.47Å; V387-V390 VanDerWaalsContact CG2-CG2 3.47Å
388S96.7Very high92.6Very high28 Ų2839.7 Ų39.720%0.19622%0.224CC..SBendtrans-69-40.3-177.6-43.80000112.3Y194 A365 T367Y194-S388 VanDerWaalsContact CZ-O 3.27Å; Y194-S388 PolarHBondContact OH-O 3.46Å; Y194-S388 VanDerWaalsContact OH-O 3.05Å; A365-S388 PolarHBondContact O-OG 3.46Å; T367-S388 PolarHBondContact N-OG 2.86Å; T367-S388 VanDerWaalsContact O-CB 3.27Å; T367-S388 WeakPolarHBondContact O-CB 3.43Å; T367-S388 PolarHBondContact O-N 3.01Å; T367-S388 PolarHBondContact OG1-N 3.23Å; T367-S388 PolarHBondContact OG1-OG 2.99Å
389H95.4Very high92.5Very high7 Ų742 Ų423%0.03224%0.235CC..EExtended strand (participates in β ladder)trans-153.9133.8-179.5-173.357.7000113.1E191 Y194 T367 I368 I369E191-H389 VanDerWaalsContact CD-NE2 3.33Å; E191-H389 IonicContact OE1-NE2 2.89Å; E191-H389 IonicContact OE2-CD2 2.73Å; E191-H389 IonicContact OE2-CE1 3.78Å; E191-H389 IonicContact OE2-NE2 3.2Å; E191-H389 PolarHBondContact OE2-NE2 2.78Å; Y194-H389 HydrophobicContact CD1-CB 3.74Å; Y194-H389 HydrophobicContact CD2-CB 3.55Å; Y194-H389 AromaticContact CD2-CG 3.48Å; Y194-H389 VanDerWaalsContact CD2-CG 3.48Å; Y194-H389 AromaticContact CD2-ND1 3.68Å; Y194-H389 HydrophobicContact CE1-CB 4.01Å; Y194-H389 HydrophobicContact CE2-CB 3.82Å; Y194-H389 HydrophobicContact CG-CB 3.5Å; Y194-H389 AromaticContact CG-CG 3.7Å; T367-H389 PolarHBondContact O-N 3.35Å; I368-H389 WeakPolarHBondContact CA-O 3.44Å; I369-H389 PolarHBondContact N-O 3.36Å
390V94.2Very high92.5Very high25 Ų2540.5 Ų40.515%0.15222%0.221CC..EExtended strand (participates in β ladder)trans-110.8117.5167.2-175.80000108.2I369 A375 C378 E384 V387 T392I369-V390 HydrophobicContact CB-CB 4.46Å; I369-V390 HydrophobicContact CB-CG1 4.33Å; I369-V390 HydrophobicContact CB-CG2 4.21Å; I369-V390 HydrophobicContact CG1-CG2 4.29Å; I369-V390 HydrophobicContact CG2-CG1 4.34Å; A375-V390 HydrophobicContact CB-CG1 3.81Å; C378-V390 HydrophobicContact CB-CG2 4.44Å; E384-V390 HydrophobicContact CB-CG2 4.26Å; E384-V390 HydrophobicContact CG-CG2 4.4Å; V387-V390 HydrophobicContact CG2-CG2 3.47Å; V387-V390 VanDerWaalsContact CG2-CG2 3.47Å; V390-T392 PolarHBondContact O-N 2.81Å
391S92Very high92.4Very high4 Ų436.4 Ų36.43%0.02820%0.203CC..  trans-71.3129.9178.4148.40000110.9E191 I369 G393 S397E191-S391 WeakPolarHBondContact OE1-CA 3.38Å; E191-S391 WeakPolarHBondContact OE2-CA 3.41Å; E191-S391 VanDerWaalsContact OE2-CB 3.3Å; E191-S391 WeakPolarHBondContact OE2-CB 3.36Å; I369-S391 WeakPolarHBondContact O-CB 3.19Å; I369-S391 PolarHBondContact O-N 3.32Å; S391-G393 VanDerWaalsContact C-N 3.29Å; S391-G393 PolarHBondContact O-N 2.75Å; S391-G393 PolarHBondContact OG-N 3.06Å; S391-G393 PolarHBondContact OG-O 3.44Å; S391-S397 VanDerWaalsContact OG-CB 3.26Å; S391-S397 WeakPolarHBondContact OG-CB 3.49Å; S391-S397 PolarHBondContact OG-OG 2.97Å
392T80.4Confident92.2Very high56 Ų5635.6 Ų35.634%0.34420%0.201SC..SBendtrans-76-16.8176.460.50000113.4L187 E191 V390L187-T392 HydrophobicContact CD1-CG2 4.48Å; E191-T392 WeakPolarHBondContact OE1-CB 3.45Å; E191-T392 PolarHBondContact OE1-N 3.41Å; E191-T392 PolarHBondContact OE1-OG1 3.42Å; V390-T392 PolarHBondContact O-N 2.81Å
393G84Confident91.9Very high2 Ų232.1 Ų32.12%0.02119%0.194CC..  trans-112.589.7-174.600000113.6S391 G395 A396 S397S391-G393 VanDerWaalsContact C-N 3.29Å; S391-G393 PolarHBondContact O-N 2.75Å; S391-G393 PolarHBondContact OG-N 3.06Å; S391-G393 PolarHBondContact OG-O 3.44Å; G393-G395 PolarHBondContact O-N 3.45Å; G393-A396 PolarHBondContact O-N 2.92Å; G393-S397 WeakPolarHBondContact O-CB 3.39Å; G393-S397 PolarHBondContact O-N 3.09Å; G393-S397 PolarHBondContact O-OG 3.06Å
394G84.7Confident91.7Very high27 Ų2736.5 Ų36.528%0.27821%0.213SC..Hα-helixtrans-55.4-48.9-178.300000114.2S397 L398G394-S397 PolarHBondContact O-OG 2.66Å; G394-S397 VanDerWaalsContact O-OG 3.06Å; G394-L398 WeakPolarHBondContact O-CB 3.45Å; G394-L398 PolarHBondContact O-N 3.09Å
395G87.3Confident91.7Very high34 Ų3439.1 Ų39.135%0.35123%0.225SC..Hα-helixtrans-71.1-40.9177.500000113.5G393 L398 E399G393-G395 PolarHBondContact O-N 3.45Å; G395-L398 PolarHBondContact O-N 2.86Å; G395-E399 PolarHBondContact O-N 3.27Å
396A91.5Very high91.7Very high0 Ų032.8 Ų32.80%019%0.191CC..Hα-helixtrans-66.8-44.6-18000000112.7F164 A167 H168 G393 L398 E399 L400 L406F164-A396 HydrophobicContact CD1-CB 4.19Å; F164-A396 HydrophobicContact CE1-CB 3.9Å; F164-A396 HydrophobicContact CE2-CB 4.49Å; F164-A396 HydrophobicContact CZ-CB 4.06Å; F164-A396 WeakPolarHBondContact O-CB 3.36Å; A167-A396 HydrophobicContact CB-CB 4.49Å; H168-A396 HydrophobicContact CB-CB 4.41Å; G393-A396 PolarHBondContact O-N 2.92Å; A396-L398 VanDerWaalsContact C-N 3.35Å; A396-E399 PolarHBondContact O-N 3.31Å; A396-L400 VanDerWaalsContact O-CB 3.29Å; A396-L400 WeakPolarHBondContact O-CB 3.25Å; A396-L400 PolarHBondContact O-N 3.28Å; A396-L406 HydrophobicContact CB-CD1 4.21Å
397S91.8Very high91.6Very high0 Ų029.9 Ų29.90%018%0.182CC..Hα-helixtrans-60.9-43.217451.50000111.9F195 G371 S391 G393 G394 L400 L401F195-S397 VanDerWaalsContact CZ-CB 3.45Å; G371-S397 PolarHBondContact N-OG 3.39Å; S391-S397 VanDerWaalsContact OG-CB 3.26Å; S391-S397 WeakPolarHBondContact OG-CB 3.49Å; S391-S397 PolarHBondContact OG-OG 2.97Å; G393-S397 WeakPolarHBondContact O-CB 3.39Å; G393-S397 PolarHBondContact O-N 3.09Å; G393-S397 PolarHBondContact O-OG 3.06Å; G394-S397 PolarHBondContact O-OG 2.66Å; G394-S397 VanDerWaalsContact O-OG 3.06Å; S397-L400 PolarHBondContact O-N 3.33Å; S397-L401 WeakPolarHBondContact O-CB 3.39Å; S397-L401 WeakPolarHBondContact O-CG 3.29Å; S397-L401 PolarHBondContact O-N 2.92Å
398L90.2Very high91.6Very high37 Ų3729.3 Ų29.319%0.19418%0.179CC..Hα-helixtrans-59.7-53.6176.8177.960.4000111.4K218 L221 G394 G395 A396 L400 L401 E402K218-L398 HydrophobicContact CD-CD1 4.31Å; L221-L398 HydrophobicContact CB-CD1 4.46Å; L221-L398 HydrophobicContact CD2-CD1 3.73Å; L221-L398 HydrophobicContact CG-CD1 4.5Å; G394-L398 WeakPolarHBondContact O-CB 3.45Å; G394-L398 PolarHBondContact O-N 3.09Å; G395-L398 PolarHBondContact O-N 2.86Å; A396-L398 VanDerWaalsContact C-N 3.35Å; L398-L400 VanDerWaalsContact C-N 3.26Å; L398-L400 PolarHBondContact O-N 3.39Å; L398-L401 CarbonylContact O-C 3.43Å; L398-L401 PolarHBondContact O-N 2.93Å; L398-L401 VanDerWaalsContact O-N 3.14Å; L398-E402 HydrophobicContact CD1-CG 4.39Å; L398-E402 VanDerWaalsContact O-CG 3.31Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 3.1Å
399E92.7Very high91.5Very high49 Ų4928.4 Ų28.423%0.22917%0.172CC..Hα-helixtrans-61.1-36.3-179.8-73.6-169.2-149.100112.4H168 G395 A396 E402 G403 K404 L406H168-E399 HydrophobicContact CB-CG 4.42Å; H168-E399 IonicContact CD2-OE1 2.8Å; H168-E399 PolarHBondContact CD2-OE1 3.02Å; H168-E399 IonicContact CG-OE1 3.53Å; G395-E399 PolarHBondContact O-N 3.27Å; A396-E399 PolarHBondContact O-N 3.31Å; E399-E402 WeakPolarHBondContact O-CB 3.26Å; E399-E402 PolarHBondContact O-N 2.91Å; E399-G403 PolarHBondContact O-N 2.9Å; E399-K404 HydrophobicContact CB-CB 4.25Å; E399-K404 HydrophobicContact CB-CD 3.93Å; E399-K404 HydrophobicContact CG-CD 3.9Å; E399-K404 VanDerWaalsContact O-CB 3.27Å; E399-K404 WeakPolarHBondContact O-CB 3.36Å; E399-K404 PolarHBondContact O-N 3.07Å; E399-L406 HydrophobicContact CB-CD2 3.88Å
400L92.5Very high91.6Very high9 Ų931 Ų315%0.04719%0.188CC..Hα-helixtrans-66.8-41.7175.8-173.960.4000112L3 F164 F195 L199 A396 S397 L398 E402 G403 L406L3-L400 HydrophobicContact CD1-CD1 4.41Å; L3-L400 HydrophobicContact CD2-CD1 3.66Å; L3-L400 HydrophobicContact CD2-CD2 4.4Å; F164-L400 HydrophobicContact CE2-CD2 4.4Å; F164-L400 HydrophobicContact CZ-CD2 4.31Å; F195-L400 HydrophobicContact CB-CD2 3.47Å; F195-L400 VanDerWaalsContact CB-CD2 3.47Å; F195-L400 HydrophobicContact CB-CG 4.33Å; F195-L400 HydrophobicContact CD1-CD2 4.02Å; F195-L400 HydrophobicContact CD1-CG 4.48Å; F195-L400 HydrophobicContact CD2-CD2 3.53Å; F195-L400 HydrophobicContact CE2-CD2 4.29Å; F195-L400 HydrophobicContact CG-CD2 3.39Å; F195-L400 HydrophobicContact CG-CG 4.28Å; L199-L400 HydrophobicContact CD1-CG 4.1Å; A396-L400 VanDerWaalsContact O-CB 3.29Å; A396-L400 WeakPolarHBondContact O-CB 3.25Å; A396-L400 PolarHBondContact O-N 3.28Å; S397-L400 PolarHBondContact O-N 3.33Å; L398-L400 VanDerWaalsContact C-N 3.26Å; L398-L400 PolarHBondContact O-N 3.39Å; L400-E402 PolarHBondContact O-N 3.31Å; L400-G403 PolarHBondContact O-N 3.34Å; L400-L406 HydrophobicContact CB-CD1 4.18Å; L400-L406 HydrophobicContact CB-CD2 4.37Å; L400-L406 HydrophobicContact CB-CG 4.37Å; L400-L406 HydrophobicContact CD1-CG 4.41Å; L400-L406 HydrophobicContact CD2-CD1 4.35Å
401L92.1Very high91.7Very high0 Ų030.6 Ų30.60%019%0.188CC..Hα-helixtrans-68.5-22.5173.2-68.1173.6000112.7F195 L199 L221 N224 M225 V333 S397 L398 G403F195-L401 HydrophobicContact CD1-CD2 3.91Å; F195-L401 HydrophobicContact CD1-CG 4.35Å; F195-L401 HydrophobicContact CE1-CD1 4.23Å; F195-L401 HydrophobicContact CE1-CD2 3.7Å; F195-L401 HydrophobicContact CE1-CG 3.79Å; L199-L401 HydrophobicContact CD1-CD2 4.39Å; L199-L401 HydrophobicContact CD2-CD2 3.97Å; L199-L401 HydrophobicContact CG-CD2 4.49Å; L221-L401 HydrophobicContact CD1-CB 3.41Å; L221-L401 VanDerWaalsContact CD1-CB 3.41Å; L221-L401 WeakPolarHBondContact CD1-O 3.45Å; N224-L401 PolarHBondContact ND2-O 3.32Å; M225-L401 WeakPolarHBondContact CE-O 3.4Å; V333-L401 HydrophobicContact CG1-CD1 3.49Å; V333-L401 VanDerWaalsContact CG1-CD1 3.49Å; V333-L401 HydrophobicContact CG1-CD2 3.59Å; V333-L401 HydrophobicContact CG1-CG 4.18Å; V333-L401 HydrophobicContact CG2-CD2 4.19Å; S397-L401 WeakPolarHBondContact O-CB 3.39Å; S397-L401 WeakPolarHBondContact O-CG 3.29Å; S397-L401 PolarHBondContact O-N 2.92Å; L398-L401 CarbonylContact O-C 3.43Å; L398-L401 PolarHBondContact O-N 2.93Å; L398-L401 VanDerWaalsContact O-N 3.14Å; L401-G403 PolarHBondContact O-N 3.27Å
402E92.9Very high91.9Very high25 Ų2530.7 Ų30.712%0.11719%0.188CC..THydrogen-bonded Turntrans-75.9-3.3168.8-68.7172.5170.700112.8Q220 L221 L398 E399 L400 K404Q220-E402 HydrophobicContact CB-CB 4.17Å; Q220-E402 HydrophobicContact CB-CG 4.07Å; L221-E402 HydrophobicContact CB-CG 3.83Å; L398-E402 HydrophobicContact CD1-CG 4.39Å; L398-E402 VanDerWaalsContact O-CG 3.31Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 3.1Å; E399-E402 WeakPolarHBondContact O-CB 3.26Å; E399-E402 PolarHBondContact O-N 2.91Å; L400-E402 PolarHBondContact O-N 3.31Å; E402-K404 VanDerWaalsContact C-N 3.32Å; E402-K404 HydrophobicContact CB-CD 4.47Å; E402-K404 HydrophobicContact CB-CG 4.34Å; E402-K404 WeakPolarHBondContact OE2-CE 3.19Å; E402-K404 IonicContact OE2-NZ 3.62Å; E402-K404 PolarHBondContact OE2-NZ 2.91Å
403G90.4Very high92.7Very high48 Ų4830 Ų3050%0.49518%0.183SC..THydrogen-bonded Turntrans80.511.3-177.700000113.8N224 E399 L400 L401N224-G403 PolarHBondContact ND2-N 3.15Å; E399-G403 PolarHBondContact O-N 2.9Å; L400-G403 PolarHBondContact O-N 3.34Å; L401-G403 PolarHBondContact O-N 3.27Å
404K92.7Very high93.1Very high94 Ų9432.8 Ų32.841%0.40920%0.198SC..PPolyproline II helixtrans-76147.9175.9-62.6171.5175.6161.40110.5E399 E402E399-K404 HydrophobicContact CB-CB 4.25Å; E399-K404 HydrophobicContact CB-CD 3.93Å; E399-K404 HydrophobicContact CG-CD 3.9Å; E399-K404 VanDerWaalsContact O-CB 3.27Å; E399-K404 WeakPolarHBondContact O-CB 3.36Å; E399-K404 PolarHBondContact O-N 3.07Å; E402-K404 VanDerWaalsContact C-N 3.32Å; E402-K404 HydrophobicContact CB-CD 4.47Å; E402-K404 HydrophobicContact CB-CG 4.34Å; E402-K404 WeakPolarHBondContact OE2-CE 3.19Å; E402-K404 IonicContact OE2-NZ 3.62Å; E402-K404 PolarHBondContact OE2-NZ 2.91Å
405Q92.7Very high93.3Very high129 Ų12933.3 Ų33.360%0.60320%0.2SC*.PPolyproline II helixtrans-79128.3168.1-66.5-174.5-18.600109.6P407 V410Q405-P407 WeakPolarHBondContact O-CD 3.43Å; Q405-V410 HydrophobicContact CB-CG2 3.74Å; Q405-V410 HydrophobicContact CG-CG2 4.42Å
406L95.3Very high92.5Very high4 Ų443.7 Ų43.72%0.02124%0.239CC..PPolyproline II helixtrans-81116.4176-55.5-174.9000109.1F164 A167 H168 A396 E399 L400 G408 V409 V410F164-L406 HydrophobicContact CE2-CD1 3.82Å; F164-L406 HydrophobicContact CZ-CD1 4.3Å; A167-L406 HydrophobicContact CB-CB 4.18Å; A167-L406 HydrophobicContact CB-CD1 4.01Å; A167-L406 CarbonylContact O-C 3.45Å; H168-L406 HydrophobicContact CB-CD2 3.98Å; A396-L406 HydrophobicContact CB-CD1 4.21Å; E399-L406 HydrophobicContact CB-CD2 3.88Å; L400-L406 HydrophobicContact CB-CD1 4.18Å; L400-L406 HydrophobicContact CB-CD2 4.37Å; L400-L406 HydrophobicContact CB-CG 4.37Å; L400-L406 HydrophobicContact CD1-CG 4.41Å; L400-L406 HydrophobicContact CD2-CD1 4.35Å; L406-G408 VanDerWaalsContact C-N 3.27Å; L406-G408 PolarHBondContact O-N 3.46Å; L406-V409 HydrophobicContact CB-CB 4.05Å; L406-V409 HydrophobicContact CB-CG2 3.79Å; L406-V409 HydrophobicContact CD1-CG2 4.05Å; L406-V409 HydrophobicContact CG-CG2 4.47Å; L406-V409 WeakPolarHBondContact O-CA 3.49Å; L406-V409 WeakPolarHBondContact O-CB 3.37Å; L406-V409 PolarHBondContact O-N 2.85Å; L406-V410 WeakPolarHBondContact O-CG2 3.44Å; L406-V410 PolarHBondContact O-N 3.39Å
407P96.8Very high92.6Very high38 Ų3845.9 Ų45.925%0.24725%0.251CS..Hα-helixtrans-53.2-41.4-175.5-29.135.8000114A167 A170 V175 Q405 V409 V410 A411A167-P407 WeakPolarHBondContact O-CD 3.35Å; A170-P407 HydrophobicContact CB-CB 3.83Å; A170-P407 HydrophobicContact CB-CG 4.06Å; V175-P407 HydrophobicContact CG1-CB 3.92Å; Q405-P407 WeakPolarHBondContact O-CD 3.43Å; P407-V409 VanDerWaalsContact C-N 3.26Å; P407-V409 PolarHBondContact O-N 3.34Å; P407-V410 PolarHBondContact O-N 3Å; P407-A411 WeakPolarHBondContact O-CB 3.48Å; P407-A411 PolarHBondContact O-N 3.12Å
408G96.6Very high92.6Very high0 Ų048.3 Ų48.30%026%0.264CS..Hα-helixtrans-67.6-22.2178.100000114.3N161 A167 L406 L412N161-G408 PolarHBondContact ND2-O 3.47Å; A167-G408 PolarHBondContact O-N 3.36Å; L406-G408 VanDerWaalsContact C-N 3.27Å; L406-G408 PolarHBondContact O-N 3.46Å; G408-L412 WeakPolarHBondContact O-CG 3.36Å
409V95.7Very high92.7Very high9 Ų948.9 Ų48.96%0.05527%0.268CS..Hα-helixtrans-85.6-42.7173177.10000110.1K5 A167 M188 L192 L406 P407 A411 L412K5-V409 HydrophobicContact CD-CG1 4.49Å; K5-V409 WeakPolarHBondContact CE-O 3.49Å; K5-V409 HydrophobicContact CG-CG1 4.03Å; K5-V409 PolarHBondContact NZ-O 3.19Å; A167-V409 HydrophobicContact CB-CG2 4.11Å; M188-V409 HydrophobicContact SD-CG2 4.01Å; L192-V409 HydrophobicContact CD1-CG1 3.96Å; L192-V409 HydrophobicContact CD1-CG2 4.42Å; L192-V409 HydrophobicContact CD2-CG1 3.87Å; L192-V409 HydrophobicContact CD2-CG2 3.88Å; L406-V409 HydrophobicContact CB-CB 4.05Å; L406-V409 HydrophobicContact CB-CG2 3.79Å; L406-V409 HydrophobicContact CD1-CG2 4.05Å; L406-V409 HydrophobicContact CG-CG2 4.47Å; L406-V409 WeakPolarHBondContact O-CA 3.49Å; L406-V409 WeakPolarHBondContact O-CB 3.37Å; L406-V409 PolarHBondContact O-N 2.85Å; P407-V409 VanDerWaalsContact C-N 3.26Å; P407-V409 PolarHBondContact O-N 3.34Å; V409-A411 PolarHBondContact O-N 3.49Å; V409-L412 WeakPolarHBondContact O-CB 3.45Å; V409-L412 PolarHBondContact O-N 3.05Å
410V96.4Very high92.7Very high60 Ų6048.9 Ų48.936%0.36427%0.27SS..Hα-helixtrans-57.1-37.6175.6173.20000111.2Q405 L406 P407 L412Q405-V410 HydrophobicContact CB-CG2 3.74Å; Q405-V410 HydrophobicContact CG-CG2 4.42Å; L406-V410 WeakPolarHBondContact O-CG2 3.44Å; L406-V410 PolarHBondContact O-N 3.39Å; P407-V410 PolarHBondContact O-N 3Å; V410-L412 PolarHBondContact O-N 2.61Å
411A96.4Very high92.8Very high17 Ų1751.4 Ų51.414%0.1428%0.284CS..THydrogen-bonded Turntrans-66.6-17.2178.600000114.5V175 K182 P407 V409V175-A411 HydrophobicContact CB-CB 4.12Å; V175-A411 HydrophobicContact CG1-CB 4.14Å; K182-A411 WeakPolarHBondContact CD-O 3.31Å; K182-A411 WeakPolarHBondContact CE-O 3.42Å; K182-A411 PolarHBondContact NZ-O 3.04Å; P407-A411 WeakPolarHBondContact O-CB 3.48Å; P407-A411 PolarHBondContact O-N 3.12Å; V409-A411 PolarHBondContact O-N 3.49Å
412L97.1Very high92.8Very high6 Ų654.9 Ų54.93%0.03130%0.303CS..SBendtrans-78.5149.8177.6-60.8178.7000112K5 Y159 N161 K182 A183 C184 M188 G408 V409 V410 D414K5-L412 HydrophobicContact CB-CB 4.33Å; K5-L412 HydrophobicContact CB-CD1 4.41Å; K5-L412 HydrophobicContact CD-CB 4.04Å; K5-L412 HydrophobicContact CG-CB 4.2Å; K5-L412 HydrophobicContact CG-CD1 4.43Å; K5-L412 PolarHBondContact NZ-O 3.33Å; K5-L412 VanDerWaalsContact NZ-O 3.15Å; Y159-L412 HydrophobicContact CD1-CD2 4.19Å; Y159-L412 HydrophobicContact CE1-CD2 3.88Å; N161-L412 HydrophobicContact CB-CD1 4.37Å; N161-L412 HydrophobicContact CB-CD2 3.82Å; K182-L412 HydrophobicContact CB-CD2 4.14Å; A183-L412 WeakPolarHBondContact O-CD2 3.34Å; C184-L412 HydrophobicContact CB-CD1 3.9Å; M188-L412 HydrophobicContact CG-CD1 4.46Å; G408-L412 WeakPolarHBondContact O-CG 3.36Å; V409-L412 WeakPolarHBondContact O-CB 3.45Å; V409-L412 PolarHBondContact O-N 3.05Å; V410-L412 PolarHBondContact O-N 2.61Å; L412-D414 PolarHBondContact O-N 2.79Å
413T96.4Very high92.8Very high41 Ų4157 Ų5725%0.25232%0.316SS..PPolyproline II helixtrans-62130.9173.5-550000109.5L6 K182L6-T413 HydrophobicContact CB-CG2 4.34Å; L6-T413 HydrophobicContact CD2-CG2 4.16Å; L6-T413 PolarHBondContact N-O 3.05Å; K182-T413 PolarHBondContact N-OG1 3.34Å; K182-T413 PolarHBondContact O-N 3.32Å; K182-T413 PolarHBondContact O-OG1 3.23Å
414D93.9Very high93Very high62 Ų6257.7 Ų57.733%0.33230%0.302SS..BIsolated β-bridgetrans-62.4147.5173.1-71.7-26.2000110.4K5 L412K5-D414 WeakPolarHBondContact CE-OD1 3.38Å; K5-D414 IonicContact NZ-OD1 3.62Å; K5-D414 PolarHBondContact NZ-OD1 2.94Å; L412-D414 PolarHBondContact O-N 2.79Å
415A87.8Confident93Very high37 Ų3754.7 Ų54.731%0.30629%0.293SS..PPolyproline II helixtrans-72.8139.316700000109.3S4S4-A415 PolarHBondContact O-N 2.98Å; S4-A415 WeakPolarHBondContact OG-CB 3.32Å
416H71Confident93Very high253 Ų25347.9 Ų47.9100%1.17127%0.265SS*.  trans-97.10175.5-73.7-54.3000112.2

Retrieved 416 of 416 residues in 252.5 ms (Link to these results)

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