A0A096N9F1_PAPAN Loading...

Enolase-phosphatase E1

Bifunctional enzyme that catalyzes the enolization of 2,3-diketo-5-methylthiopentyl-1-phosphate (DK-MTP-1-P) into the intermediate 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate (HK-MTPenyl-1-P), which is then dephosphorylated to form the acireductone 1,2-dihydroxy-3-keto-5-methylthiopentene (DHK-MTPene).

AlphaFold DB (A0A2K6L2I6), UniProt , Accession A0A096N9F1, Species PAPAN (Papio anubis, Olive baboon), Gene ENOPH1, Length 261 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.8Low86.1Confident213 Ų21375.5 Ų75.5100%1.04945%0.45SS*.  0122.70-83.1168.6174.300106.5V3M1-V3 PolarHBondContact O-N 3.44Å
2V58.1Low87.2Confident114 Ų11469.3 Ų69.369%0.69141%0.413SS*.  trans-69.9125.8168.1-179.80000105.2
3V76.5Confident88.1Confident88 Ų8863.9 Ų63.953%0.53338%0.381SS..  trans-107.4128.3178.4179.60000105.9M1M1-V3 PolarHBondContact O-N 3.44Å
4L88.4Confident88.8Confident33 Ų3359.4 Ų59.417%0.17335%0.354CS..EExtended strand (participates in β ladder)trans-97.9113.4178.6-173.863000109.2A228 S247 I249 E254 L255 Y256L4-A228 HydrophobicContact CD2-CB 3.45Å; L4-A228 VanDerWaalsContact CD2-CB 3.45Å; L4-S247 WeakPolarHBondContact CD1-OG 3.28Å; L4-I249 HydrophobicContact CB-CG2 4.08Å; L4-I249 HydrophobicContact CD2-CG2 4.16Å; L4-E254 PolarHBondContact N-O 2.89Å; L4-L255 HydrophobicContact CB-CD1 4.32Å; L4-L255 HydrophobicContact CD2-CD1 4.06Å; L4-L255 HydrophobicContact CG-CD1 4.28Å; L4-Y256 PolarHBondContact O-N 3.11Å
5S93.6Very high89.5Confident84 Ų8455.5 Ų55.559%0.58733%0.331SS*.EExtended strand (participates in β ladder)trans-83125.1174.9-62.20000110.1
6V95.7Very high90.1Very high9 Ų952.4 Ų52.46%0.05531%0.312CS..PPolyproline II helixtrans-73.4134.5176.9178.70000110.1V10 L208 L255 Y256 L257V6-V10 HydrophobicContact CG1-CB 3.5Å; V6-V10 VanDerWaalsContact CG1-CB 3.5Å; V6-V10 HydrophobicContact CG1-CG1 3.66Å; V6-V10 HydrophobicContact CG1-CG2 3.92Å; V6-L208 HydrophobicContact CG1-CD2 4.31Å; V6-L208 HydrophobicContact CG2-CD2 3.78Å; V6-L255 HydrophobicContact CG2-CD1 3.37Å; V6-L255 HydrophobicContact CG2-CD2 3.81Å; V6-L255 HydrophobicContact CG2-CG 3.42Å; V6-L255 VanDerWaalsContact CG2-CG 3.42Å; V6-Y256 PolarHBondContact N-O 2.76Å; V6-L257 HydrophobicContact CB-CD2 4.2Å; V6-L257 HydrophobicContact CG2-CD2 3.79Å
7P95.7Very high90.6Very high49 Ų4949.5 Ų49.532%0.31830%0.295SS..PPolyproline II helixtrans-56.6144.8174.2-24.433.7000112.5E9 V10P7-E9 HydrophobicContact CB-CG 4.26Å; P7-E9 PolarHBondContact O-N 3.37Å; P7-E9 VanDerWaalsContact O-N 3.14Å; P7-V10 HydrophobicContact CB-CG2 4.19Å; P7-V10 HydrophobicContact CG-CG2 4.33Å; P7-V10 WeakPolarHBondContact O-CB 3.45Å; P7-V10 PolarHBondContact O-N 2.77Å; P7-V10 VanDerWaalsContact O-N 3.09Å
8A95.2Very high90.9Very high90 Ų9050.8 Ų50.874%0.74430%0.297SS*.THydrogen-bonded Turntrans-62.6-23.2-174.400000114.7
9E96.8Very high91.3Very high83 Ų8348.1 Ų48.139%0.38828%0.282SS..THydrogen-bonded Turntrans-80.3-17.3178.458.4-179-177.900113.7P7 T11 N205 N206 H226P7-E9 HydrophobicContact CB-CG 4.26Å; P7-E9 PolarHBondContact O-N 3.37Å; P7-E9 VanDerWaalsContact O-N 3.14Å; E9-T11 PolarHBondContact O-N 3.19Å; E9-N205 PolarHBondContact OE2-ND2 3.13Å; E9-N206 PolarHBondContact O-OD1 2.74Å; E9-H226 IonicContact OE1-CE1 3.35Å; E9-H226 PolarHBondContact OE1-CE1 3.18Å; E9-H226 IonicContact OE1-NE2 2.74Å; E9-H226 PolarHBondContact OE1-NE2 2.97Å
10V98.1Very high91.7Very high2 Ų245.7 Ų45.71%0.01227%0.267CS..  trans-69.3127.7179.4173.20000109.6V6 P7 V12 I13 M147 N206 L208V6-V10 HydrophobicContact CG1-CB 3.5Å; V6-V10 VanDerWaalsContact CG1-CB 3.5Å; V6-V10 HydrophobicContact CG1-CG1 3.66Å; V6-V10 HydrophobicContact CG1-CG2 3.92Å; P7-V10 HydrophobicContact CB-CG2 4.19Å; P7-V10 HydrophobicContact CG-CG2 4.33Å; P7-V10 WeakPolarHBondContact O-CB 3.45Å; P7-V10 PolarHBondContact O-N 2.77Å; P7-V10 VanDerWaalsContact O-N 3.09Å; V10-V12 WeakPolarHBondContact CG1-O 3.36Å; V10-I13 HydrophobicContact CG1-CD1 4.19Å; V10-M147 VanDerWaalsContact O-CE 3.32Å; V10-M147 WeakPolarHBondContact O-CE 3.37Å; V10-N206 WeakPolarHBondContact CA-O 3.3Å; V10-L208 HydrophobicContact CG1-CB 3.77Å; V10-L208 HydrophobicContact CG2-CB 4.29Å
11T98.3Very high92Very high66 Ų6643.5 Ų43.541%0.40526%0.255SS..  trans-127.5-4.6176.552.10000112.3E9 K148 N206E9-T11 PolarHBondContact O-N 3.19Å; T11-K148 PolarHBondContact O-N 3.24Å; T11-N206 PolarHBondContact N-O 3.46Å
12V98.8Very high94.2Very high0 Ų033.4 Ų33.40%021%0.205CC..EExtended strand (participates in β ladder)trans-131.9128.1-175.8179.90000109.6V10 K148 Y150 I200 N206 I207 L208V10-V12 WeakPolarHBondContact CG1-O 3.36Å; V12-K148 CarbonylContact C-O 3.51Å; V12-K148 WeakPolarHBondContact CA-O 3.08Å; V12-K148 HydrophobicContact CG2-CB 4.38Å; V12-Y150 HydrophobicContact CG1-CD2 3.84Å; V12-Y150 HydrophobicContact CG1-CE2 4.38Å; V12-I200 HydrophobicContact CG1-CD1 3.97Å; V12-I200 HydrophobicContact CG2-CG2 4.04Å; V12-N206 PolarHBondContact N-O 3.46Å; V12-I207 HydrophobicContact CB-CG1 4.07Å; V12-I207 HydrophobicContact CG1-CG1 4.2Å; V12-I207 HydrophobicContact CG1-CG2 4.48Å; V12-I207 WeakPolarHBondContact O-CA 3.46Å; V12-L208 PolarHBondContact O-N 2.94Å
13I98.8Very high96.2Very high0 Ų028.5 Ų28.50%018%0.176CC..EExtended strand (participates in β ladder)trans-101.7119.1166.7-50.8-59.1000108.2V10 L15 W142 M147 K148 V149 Y150 L208 L210 L255V10-I13 HydrophobicContact CG1-CD1 4.19Å; I13-L15 HydrophobicContact CG2-CD2 3.51Å; I13-L15 HydrophobicContact CG2-CG 4.08Å; I13-W142 HydrophobicContact CB-CE3 4.41Å; I13-W142 HydrophobicContact CG1-CE3 4.16Å; I13-W142 HydrophobicContact CG2-CE3 4.15Å; I13-W142 HydrophobicContact CG2-CH2 4.5Å; I13-W142 HydrophobicContact CG2-CZ3 3.84Å; I13-M147 HydrophobicContact CG1-CB 4.34Å; I13-M147 HydrophobicContact CG1-CG 4.48Å; I13-K148 PolarHBondContact N-O 3.34Å; I13-V149 WeakPolarHBondContact O-CA 3.16Å; I13-Y150 PolarHBondContact O-N 3.01Å; I13-L208 WeakPolarHBondContact CA-O 3.41Å; I13-L208 HydrophobicContact CD1-CB 4.06Å; I13-L208 HydrophobicContact CD1-CD2 4.12Å; I13-L208 HydrophobicContact CD1-CG 4.49Å; I13-L210 HydrophobicContact CG2-CD1 4.24Å; I13-L210 HydrophobicContact CG2-CG 4.39Å; I13-L255 HydrophobicContact CD1-CD2 4.23Å
14L98.9Very high97Very high0 Ų026.1 Ų26.10%016%0.159CC..EExtended strand (participates in β ladder)trans-101.1127.2173.2-17368.7000108.3Y150 Y152 F180 Y193 I196 I207 L208 F209 L210L14-Y150 CarbonylContact C-O 3.47Å; L14-Y150 WeakPolarHBondContact CA-O 3.39Å; L14-Y152 HydrophobicContact CD2-CD1 4.44Å; L14-F180 HydrophobicContact CD1-CD2 4.3Å; L14-Y193 HydrophobicContact CD2-CD1 4.26Å; L14-Y193 HydrophobicContact CD2-CE1 4.36Å; L14-I196 HydrophobicContact CD1-CG2 4.26Å; L14-I196 HydrophobicContact CD2-CD1 4.15Å; L14-I196 HydrophobicContact CD2-CG2 4.16Å; L14-I207 HydrophobicContact CB-CG2 3.72Å; L14-I207 HydrophobicContact CD2-CG2 4.42Å; L14-L208 PolarHBondContact N-O 3.22Å; L14-F209 HydrophobicContact CB-CB 4.36Å; L14-F209 HydrophobicContact CB-CD2 3.88Å; L14-F209 HydrophobicContact CD2-CB 4.46Å; L14-F209 HydrophobicContact CD2-CD2 3.67Å; L14-F209 HydrophobicContact CD2-CE2 4.2Å; L14-F209 HydrophobicContact CD2-CG 4.22Å; L14-F209 HydrophobicContact CG-CD2 3.67Å; L14-F209 HydrophobicContact CG-CE2 4.19Å; L14-F209 CarbonylContact O-C 3.58Å; L14-F209 WeakPolarHBondContact O-CA 3.47Å; L14-F209 WeakPolarHBondContact O-CD2 3.49Å; L14-L210 PolarHBondContact O-N 3.38Å
15L98.9Very high97.4Very high2 Ų227 Ų271%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-117.5134.1-174.3-57.5177.7000111.3I13 T21 V139 W142 V149 Y150 I151 Y152 L210 F252I13-L15 HydrophobicContact CG2-CD2 3.51Å; I13-L15 HydrophobicContact CG2-CG 4.08Å; L15-T21 HydrophobicContact CB-CG2 4.38Å; L15-T21 HydrophobicContact CD1-CG2 4.21Å; L15-V139 HydrophobicContact CD1-CG2 4.16Å; L15-W142 HydrophobicContact CD2-CZ3 4.21Å; L15-V149 HydrophobicContact CD1-CG1 3.75Å; L15-V149 HydrophobicContact CG-CG1 4.33Å; L15-Y150 PolarHBondContact N-O 2.86Å; L15-I151 HydrophobicContact CB-CD1 3.85Å; L15-I151 HydrophobicContact CD1-CD1 4.14Å; L15-I151 HydrophobicContact CG-CD1 4.46Å; L15-I151 CarbonylContact O-C 3.55Å; L15-I151 WeakPolarHBondContact O-CA 3.33Å; L15-Y152 PolarHBondContact O-N 3.38Å; L15-L210 HydrophobicContact CD2-CB 3.91Å; L15-L210 HydrophobicContact CD2-CD1 3.61Å; L15-L210 HydrophobicContact CD2-CG 3.95Å; L15-F252 HydrophobicContact CD1-CE2 4.08Å; L15-F252 HydrophobicContact CD2-CE2 3.83Å; L15-F252 HydrophobicContact CD2-CZ 3.83Å
16D98.7Very high97.5Very high5 Ų523.2 Ų23.23%0.02714%0.144CC..  trans-76.6166.6157.8-165.616.6000112T20 T21 K187 F209 L210D16-T20 HydrophobicContact CB-CG2 4.24Å; D16-T21 WeakPolarHBondContact O-CG2 3.41Å; D16-T21 PolarHBondContact O-OG1 3.24Å; D16-K187 IonicContact OD1-NZ 2.81Å; D16-K187 PolarHBondContact OD1-NZ 3.07Å; D16-K187 IonicContact OD2-NZ 3.36Å; D16-K187 PolarHBondContact OD2-NZ 3.42Å; D16-F209 HydrophobicContact CB-CE2 4.36Å; D16-F209 HydrophobicContact CB-CZ 4.46Å; D16-L210 WeakPolarHBondContact CB-O 3.31Å; D16-L210 PolarHBondContact N-O 3.11Å
17I98.3Very high97.3Very high4 Ų423.2 Ų23.22%0.02115%0.145CC..SBendtrans-100.2-75.3179.7-60.3-179.2000111.4T20 T21 T22 I151 Q160 L163 F164I17-T20 PolarHBondContact O-N 3.31Å; I17-T21 WeakPolarHBondContact CA-OG1 3.34Å; I17-T21 PolarHBondContact O-N 2.63Å; I17-T21 PolarHBondContact O-OG1 3.04Å; I17-T22 PolarHBondContact O-N 3.1Å; I17-I151 HydrophobicContact CD1-CG2 3.66Å; I17-I151 HydrophobicContact CG1-CG2 3.57Å; I17-Q160 HydrophobicContact CD1-CB 4.22Å; I17-Q160 HydrophobicContact CD1-CG 3.7Å; I17-L163 HydrophobicContact CD1-CD1 4.31Å; I17-L163 HydrophobicContact CG2-CD1 4.16Å; I17-F164 HydrophobicContact CD1-CE2 4.21Å; I17-F164 HydrophobicContact CG1-CE2 4.39Å
18E97.2Very high97.1Very high72 Ų7227.4 Ų27.434%0.33616%0.158SC..BIsolated β-bridgetrans-65.6133-173.4-177.8172.8-158.700109.9T20 I24 V27 D212E18-T20 PolarHBondContact O-N 3.12Å; E18-I24 HydrophobicContact CG-CB 4.43Å; E18-I24 HydrophobicContact CG-CG1 3.87Å; E18-V27 HydrophobicContact CB-CG2 4.09Å; E18-V27 HydrophobicContact CG-CB 4.15Å; E18-V27 HydrophobicContact CG-CG1 4.45Å; E18-V27 HydrophobicContact CG-CG2 3.94Å; E18-D212 VanDerWaalsContact O-OD1 3.11Å
19G97.7Very high97.1Very high0 Ų027.8 Ų27.80%015%0.147CC..THydrogen-bonded Turntrans71.5-5.7-177.700000115.3T22 R232 N235G19-T22 PolarHBondContact N-O 3.42Å; G19-R232 WeakPolarHBondContact O-CB 3.29Å; G19-R232 WeakPolarHBondContact O-CG 3.34Å; G19-N235 WeakPolarHBondContact CA-OD1 3.33Å; G19-N235 PolarHBondContact O-ND2 2.88Å; G19-N235 PolarHBondContact O-OD1 3.26Å
20T98.7Very high97Very high0 Ų027.7 Ų27.70%015%0.149CC..THydrogen-bonded Turntrans-118.8-65.1-174.4-66.50000112.5D16 I17 E18 L210 T211 D212 V230 R232 F252D16-T20 HydrophobicContact CB-CG2 4.24Å; I17-T20 PolarHBondContact O-N 3.31Å; E18-T20 PolarHBondContact O-N 3.12Å; T20-L210 HydrophobicContact CG2-CB 4.34Å; T20-T211 WeakPolarHBondContact OG1-CA 3.39Å; T20-D212 PolarHBondContact OG1-N 3.02Å; T20-D212 VanDerWaalsContact OG1-N 3.15Å; T20-V230 HydrophobicContact CG2-CB 4.29Å; T20-V230 HydrophobicContact CG2-CG2 3.92Å; T20-R232 PolarHBondContact O-NE 3.43Å; T20-R232 VanDerWaalsContact O-NE 3.11Å; T20-R232 PolarHBondContact O-NH2 2.93Å; T20-F252 HydrophobicContact CG2-CE1 4.14Å; T20-F252 HydrophobicContact CG2-CZ 3.91Å
21T98.6Very high96.8Very high0 Ų028.2 Ų28.20%015%0.151CC..THydrogen-bonded Turntrans-98.5-26.7174.656.30000112.5L15 D16 I17 F131 F132 V135 F252L15-T21 HydrophobicContact CB-CG2 4.38Å; L15-T21 HydrophobicContact CD1-CG2 4.21Å; D16-T21 WeakPolarHBondContact O-CG2 3.41Å; D16-T21 PolarHBondContact O-OG1 3.24Å; I17-T21 WeakPolarHBondContact CA-OG1 3.34Å; I17-T21 PolarHBondContact O-N 2.63Å; I17-T21 PolarHBondContact O-OG1 3.04Å; T21-F131 WeakPolarHBondContact O-CA 3.28Å; T21-F132 WeakPolarHBondContact O-CD2 3.39Å; T21-F132 PolarHBondContact O-N 2.74Å; T21-V135 HydrophobicContact CG2-CG1 3.88Å; T21-V135 HydrophobicContact CG2-CG2 4.28Å; T21-F252 HydrophobicContact CG2-CE2 3.78Å; T21-F252 HydrophobicContact CG2-CZ 3.69Å
22T98.3Very high96.6Very high0 Ų028.5 Ų28.50%015%0.147CC..BIsolated β-bridgetrans-124.1136.6-174.7-62.10000109.6I17 G19 F26 V27 E130I17-T22 PolarHBondContact O-N 3.1Å; G19-T22 PolarHBondContact N-O 3.42Å; T22-F26 HydrophobicContact CG2-CB 4.12Å; T22-F26 HydrophobicContact CG2-CD1 3.49Å; T22-F26 VanDerWaalsContact CG2-CD1 3.49Å; T22-F26 HydrophobicContact CG2-CE1 4.34Å; T22-F26 HydrophobicContact CG2-CG 4.12Å; T22-V27 HydrophobicContact CG2-CG2 4.05Å; T22-E130 VanDerWaalsContact CG2-O 3.26Å; T22-E130 WeakPolarHBondContact CG2-O 3.38Å; T22-E130 PolarHBondContact OG1-O 2.96Å
23P98.2Very high96.5Very high12 Ų1230 Ų308%0.07816%0.156CC..  trans-61.3141.2176.6-20.431.1000112.6A25 F26 V27 E130 F132P23-A25 PolarHBondContact O-N 2.7Å; P23-F26 WeakPolarHBondContact O-CB 3.22Å; P23-F26 PolarHBondContact O-N 3.46Å; P23-F26 VanDerWaalsContact O-N 3.08Å; P23-V27 PolarHBondContact O-N 3.48Å; P23-E130 HydrophobicContact CG-CG 4Å; P23-F132 HydrophobicContact CB-CE1 4.33Å; P23-F132 HydrophobicContact CB-CE2 4.45Å; P23-F132 HydrophobicContact CB-CZ 3.85Å; P23-F132 HydrophobicContact CG-CD1 4.35Å; P23-F132 HydrophobicContact CG-CE1 3.79Å; P23-F132 HydrophobicContact CG-CE2 4.08Å; P23-F132 HydrophobicContact CG-CZ 3.63Å
24I94.7Very high96.4Very high37 Ų3731.2 Ų31.219%0.1916%0.161CC..Hα-helixtrans-56.4-38.4173.7-65.7173.2000111.1E18 F26 V27 K28 N235E18-I24 HydrophobicContact CG-CB 4.43Å; E18-I24 HydrophobicContact CG-CG1 3.87Å; I24-F26 VanDerWaalsContact C-N 3.28Å; I24-F26 PolarHBondContact O-N 2.75Å; I24-V27 PolarHBondContact O-N 2.66Å; I24-V27 VanDerWaalsContact O-N 3.14Å; I24-K28 WeakPolarHBondContact O-CB 3.36Å; I24-K28 PolarHBondContact O-N 3.47Å; I24-N235 HydrophobicContact CD1-CB 4.42Å; I24-N235 WeakPolarHBondContact CD1-OD1 3.48Å
25A95.6Very high96.3Very high52 Ų5231.2 Ų31.243%0.4316%0.161SC..Hα-helixtrans-59.2-37.3178.400000112.5P23 D29P23-A25 PolarHBondContact O-N 2.7Å; A25-D29 WeakPolarHBondContact O-CA 3.36Å; A25-D29 WeakPolarHBondContact O-CB 3.47Å; A25-D29 PolarHBondContact O-N 3.07Å
26F96.4Very high96.2Very high4 Ų435.4 Ų35.42%0.01818%0.181CC..Hα-helixtrans-63.2-46175.7170.8-94.6000111.2T22 P23 I24 I30 L31 F122 K128 A129 E130 L163T22-F26 HydrophobicContact CG2-CB 4.12Å; T22-F26 HydrophobicContact CG2-CD1 3.49Å; T22-F26 VanDerWaalsContact CG2-CD1 3.49Å; T22-F26 HydrophobicContact CG2-CE1 4.34Å; T22-F26 HydrophobicContact CG2-CG 4.12Å; P23-F26 WeakPolarHBondContact O-CB 3.22Å; P23-F26 PolarHBondContact O-N 3.46Å; P23-F26 VanDerWaalsContact O-N 3.08Å; I24-F26 VanDerWaalsContact C-N 3.28Å; I24-F26 PolarHBondContact O-N 2.75Å; F26-I30 HydrophobicContact CD2-CB 4.2Å; F26-I30 HydrophobicContact CD2-CD1 4Å; F26-I30 HydrophobicContact CD2-CG2 4.36Å; F26-I30 HydrophobicContact CE2-CB 4.42Å; F26-I30 HydrophobicContact CE2-CG2 4.15Å; F26-I30 WeakPolarHBondContact O-CA 3.12Å; F26-I30 VanDerWaalsContact O-CB 3.28Å; F26-I30 WeakPolarHBondContact O-CB 3.29Å; F26-I30 PolarHBondContact O-N 3.19Å; F26-L31 HydrophobicContact CE1-CB 4.12Å; F26-L31 HydrophobicContact CE1-CD1 4.36Å; F26-L31 HydrophobicContact CE1-CD2 4.39Å; F26-L31 HydrophobicContact CZ-CB 4.4Å; F26-L31 HydrophobicContact CZ-CD1 4.32Å; F26-L31 PolarHBondContact O-N 2.88Å; F26-F122 HydrophobicContact CZ-CZ 4.46Å; F26-K128 VanDerWaalsContact CE2-O 3.22Å; F26-K128 WeakPolarHBondContact CE2-O 3.46Å; F26-A129 HydrophobicContact CE1-CB 4.41Å; F26-A129 HydrophobicContact CZ-CB 4.26Å; F26-E130 HydrophobicContact CB-CB 4.05Å; F26-E130 HydrophobicContact CD2-CB 3.8Å; F26-E130 HydrophobicContact CG-CB 3.93Å; F26-L163 HydrophobicContact CE1-CD2 3.92Å; F26-L163 HydrophobicContact CZ-CD2 4.33Å
27V92.2Very high96.2Very high10 Ų1042.4 Ų42.46%0.06121%0.213CC..Iπ-helixtrans-66.5-51.5-178.7179.20000110.4E18 T22 P23 I24 L31 F32E18-V27 HydrophobicContact CB-CG2 4.09Å; E18-V27 HydrophobicContact CG-CB 4.15Å; E18-V27 HydrophobicContact CG-CG1 4.45Å; E18-V27 HydrophobicContact CG-CG2 3.94Å; T22-V27 HydrophobicContact CG2-CG2 4.05Å; P23-V27 PolarHBondContact O-N 3.48Å; I24-V27 PolarHBondContact O-N 2.66Å; I24-V27 VanDerWaalsContact O-N 3.14Å; V27-L31 PolarHBondContact O-N 3.23Å; V27-F32 HydrophobicContact CG1-CD2 3.81Å; V27-F32 HydrophobicContact CG1-CE2 3.63Å; V27-F32 WeakPolarHBondContact O-CD2 3.2Å; V27-F32 PolarHBondContact O-N 3.3Å
28K91.3Very high96.2Very high137 Ų13743.7 Ų43.760%0.59622%0.22SC*.Iπ-helixtrans-74.5-40.8-173-176.8-175.6165.1-174.40113.8I24 P33I24-K28 WeakPolarHBondContact O-CB 3.36Å; I24-K28 PolarHBondContact O-N 3.47Å; K28-P33 WeakPolarHBondContact O-CD 3.35Å; K28-P33 VanDerWaalsContact O-CG 3.22Å; K28-P33 WeakPolarHBondContact O-CG 3.23Å
29D94.3Very high96.2Very high98 Ų9840.2 Ų40.252%0.52420%0.204SC..Iπ-helixtrans-104.8-8.7-168.8-50.5-39.3000112.7A25A25-D29 WeakPolarHBondContact O-CA 3.36Å; A25-D29 WeakPolarHBondContact O-CB 3.47Å; A25-D29 PolarHBondContact O-N 3.07Å
30I95.9Very high96.3Very high81 Ų8144.1 Ų44.142%0.41522%0.221SC..Iπ-helixtrans-125.3-60.1179.6-54.2175.5000111.3F26 Y34 M127F26-I30 HydrophobicContact CD2-CB 4.2Å; F26-I30 HydrophobicContact CD2-CD1 4Å; F26-I30 HydrophobicContact CD2-CG2 4.36Å; F26-I30 HydrophobicContact CE2-CB 4.42Å; F26-I30 HydrophobicContact CE2-CG2 4.15Å; F26-I30 WeakPolarHBondContact O-CA 3.12Å; F26-I30 VanDerWaalsContact O-CB 3.28Å; F26-I30 WeakPolarHBondContact O-CB 3.29Å; F26-I30 PolarHBondContact O-N 3.19Å; I30-Y34 WeakPolarHBondContact O-CB 3.44Å; I30-Y34 PolarHBondContact O-N 2.87Å; I30-M127 HydrophobicContact CG2-SD 4.46Å
31L93.7Very high96.2Very high12 Ų1249.6 Ų49.66%0.06325%0.246CC..Iπ-helixtrans-64.5-48.5-169-173.768.8000113F26 V27 W118 F122 M127 L163F26-L31 HydrophobicContact CE1-CB 4.12Å; F26-L31 HydrophobicContact CE1-CD1 4.36Å; F26-L31 HydrophobicContact CE1-CD2 4.39Å; F26-L31 HydrophobicContact CZ-CB 4.4Å; F26-L31 HydrophobicContact CZ-CD1 4.32Å; F26-L31 PolarHBondContact O-N 2.88Å; V27-L31 PolarHBondContact O-N 3.23Å; L31-W118 HydrophobicContact CD1-CD2 4.23Å; L31-W118 HydrophobicContact CD1-CG 4.22Å; L31-W118 HydrophobicContact CD1-CZ2 4.4Å; L31-W118 HydrophobicContact CD2-CZ2 4.32Å; L31-W118 HydrophobicContact CG-CZ2 3.87Å; L31-W118 PolarHBondContact O-NE1 2.86Å; L31-F122 HydrophobicContact CD1-CE2 4Å; L31-F122 HydrophobicContact CD1-CZ 3.89Å; L31-M127 HydrophobicContact CD1-CE 4.45Å; L31-L163 HydrophobicContact CD1-CD2 4.29Å; L31-L163 HydrophobicContact CD2-CD2 4.32Å
32F93Very high96.2Very high73 Ų7350.5 Ų50.532%0.3225%0.25SS..THydrogen-bonded Turntrans-75.7-46.2178-78.4-74.5000113V27 Y34 I35 M101 W118V27-F32 HydrophobicContact CG1-CD2 3.81Å; V27-F32 HydrophobicContact CG1-CE2 3.63Å; V27-F32 WeakPolarHBondContact O-CD2 3.2Å; V27-F32 PolarHBondContact O-N 3.3Å; F32-Y34 PolarHBondContact O-N 2.86Å; F32-Y34 VanDerWaalsContact O-N 3.16Å; F32-I35 WeakPolarHBondContact O-CB 3.47Å; F32-I35 PolarHBondContact O-N 3.11Å; F32-M101 HydrophobicContact CB-CE 4.09Å; F32-M101 HydrophobicContact CD1-CE 4.03Å; F32-M101 WeakPolarHBondContact O-CE 3.42Å; F32-W118 HydrophobicContact CD1-CH2 4.33Å; F32-W118 HydrophobicContact CD1-CZ2 4.07Å; F32-W118 AromaticContact CE1-CH2 3.83Å; F32-W118 HydrophobicContact CE1-CH2 3.83Å; F32-W118 HydrophobicContact CE1-CZ2 4.04Å; F32-W118 HydrophobicContact CZ-CH2 4.21Å
33P96.5Very high96.2Very high30 Ų3050.5 Ų50.520%0.19525%0.25CS..Hα-helixtrans-56.1-32.6176.2-31.339.6000113.8K28 I35 E36 E37K28-P33 WeakPolarHBondContact O-CD 3.35Å; K28-P33 VanDerWaalsContact O-CG 3.22Å; K28-P33 WeakPolarHBondContact O-CG 3.23Å; P33-I35 PolarHBondContact O-N 3.16Å; P33-I35 VanDerWaalsContact O-N 3.16Å; P33-E36 PolarHBondContact O-N 3.35Å; P33-E36 VanDerWaalsContact O-N 3.11Å; P33-E37 WeakPolarHBondContact O-CG 3.24Å; P33-E37 PolarHBondContact O-N 2.78Å
34Y97.5Very high96.1Very high26 Ų2655 Ų5510%0.10227%0.27CS..Hα-helixtrans-52.6-37.8172.8179.1-89.3000112.6I30 F32 N38 A121 M127I30-Y34 WeakPolarHBondContact O-CB 3.44Å; I30-Y34 PolarHBondContact O-N 2.87Å; F32-Y34 PolarHBondContact O-N 2.86Å; F32-Y34 VanDerWaalsContact O-N 3.16Å; Y34-N38 VanDerWaalsContact CD2-ND2 3.32Å; Y34-N38 WeakPolarHBondContact CD2-ND2 3.48Å; Y34-N38 HydrophobicContact CE1-CB 4.09Å; Y34-N38 WeakPolarHBondContact CE2-ND2 3.48Å; Y34-N38 VanDerWaalsContact O-CB 3.27Å; Y34-N38 WeakPolarHBondContact O-CB 3.48Å; Y34-N38 PolarHBondContact O-N 2.88Å; Y34-N38 PolarHBondContact O-ND2 2.74Å; Y34-A121 HydrophobicContact CD1-CB 4.4Å; Y34-A121 HydrophobicContact CE1-CB 3.56Å; Y34-A121 HydrophobicContact CE2-CB 4.05Å; Y34-A121 VanDerWaalsContact OH-CB 3.24Å; Y34-A121 WeakPolarHBondContact OH-CB 3.38Å; Y34-M127 HydrophobicContact CD1-CE 3.58Å; Y34-M127 HydrophobicContact CD1-SD 4.26Å; Y34-M127 HydrophobicContact CD2-CE 3.88Å; Y34-M127 HydrophobicContact CD2-CG 4.15Å; Y34-M127 HydrophobicContact CD2-SD 3.59Å; Y34-M127 VanDerWaalsContact CD2-SD 3.59Å; Y34-M127 HydrophobicContact CE1-CE 3.94Å; Y34-M127 HydrophobicContact CE2-CE 4.2Å; Y34-M127 HydrophobicContact CE2-CG 4.34Å; Y34-M127 HydrophobicContact CE2-SD 4.24Å; Y34-M127 HydrophobicContact CG-CE 3.57Å; Y34-M127 HydrophobicContact CG-SD 3.61Å
35I97.5Very high96.3Very high0 Ų057.6 Ų57.60%029%0.288CS..Hα-helixtrans-64.8-49.2179-59.7-63.2000110.6F32 P33 E37 N38 V39 V97 M101 Q114 M117 W118F32-I35 WeakPolarHBondContact O-CB 3.47Å; F32-I35 PolarHBondContact O-N 3.11Å; P33-I35 PolarHBondContact O-N 3.16Å; P33-I35 VanDerWaalsContact O-N 3.16Å; I35-E37 VanDerWaalsContact C-N 3.28Å; I35-E37 PolarHBondContact O-N 2.9Å; I35-N38 PolarHBondContact O-N 2.74Å; I35-V39 VanDerWaalsContact O-CB 3.25Å; I35-V39 WeakPolarHBondContact O-CB 3.35Å; I35-V39 WeakPolarHBondContact O-CG1 3.47Å; I35-V39 PolarHBondContact O-N 3.27Å; I35-V97 HydrophobicContact CG2-CG1 4.12Å; I35-M101 HydrophobicContact CB-CE 4.1Å; I35-M101 HydrophobicContact CB-SD 3.94Å; I35-M101 HydrophobicContact CG2-CE 4.39Å; I35-M101 HydrophobicContact CG2-SD 3.55Å; I35-M101 VanDerWaalsContact CG2-SD 3.55Å; I35-Q114 HydrophobicContact CD1-CB 4.14Å; I35-Q114 HydrophobicContact CD1-CG 4.11Å; I35-Q114 HydrophobicContact CG1-CB 4.48Å; I35-Q114 HydrophobicContact CG1-CG 4.02Å; I35-Q114 HydrophobicContact CG2-CG 4.11Å; I35-M117 HydrophobicContact CB-CE 4.35Å; I35-M117 HydrophobicContact CD1-CB 3.74Å; I35-M117 HydrophobicContact CD1-CE 3.86Å; I35-M117 HydrophobicContact CD1-CG 4.49Å; I35-M117 HydrophobicContact CD1-SD 4.01Å; I35-M117 HydrophobicContact CG2-CE 4.04Å; I35-M117 HydrophobicContact CG2-SD 4.09Å; I35-W118 HydrophobicContact CD1-CD2 4.27Å; I35-W118 HydrophobicContact CD1-CG 4.3Å; I35-W118 HydrophobicContact CD1-CZ2 4.25Å; I35-W118 HydrophobicContact CG1-CZ2 3.93Å
36E96.5Very high96.3Very high91 Ų9157.1 Ų57.143%0.42528%0.277SS..Hα-helixtrans-61.7-39-178.9-59.7-177.7153.400111.5P33 M101P33-E36 PolarHBondContact O-N 3.35Å; P33-E36 VanDerWaalsContact O-N 3.11Å; E36-M101 HydrophobicContact CG-CE 3.65Å; E36-M101 HydrophobicContact CG-SD 4Å
37E97.6Very high96.3Very high151 Ų15159 Ų5971%0.70628%0.284SS*.Hα-helixtrans-71.2-32.4179.3-69178.217900113.2P33 I35P33-E37 WeakPolarHBondContact O-CG 3.24Å; P33-E37 PolarHBondContact O-N 2.78Å; I35-E37 VanDerWaalsContact C-N 3.28Å; I35-E37 PolarHBondContact O-N 2.9Å
38N98.2Very high96.5Very high31 Ų3165.5 Ų65.517%0.16631%0.313CS..Hα-helixtrans-111.8-11.5-168.3-67-95.4000114.5Y34 I35 K40 E41 Y42 M117Y34-N38 VanDerWaalsContact CD2-ND2 3.32Å; Y34-N38 WeakPolarHBondContact CD2-ND2 3.48Å; Y34-N38 HydrophobicContact CE1-CB 4.09Å; Y34-N38 WeakPolarHBondContact CE2-ND2 3.48Å; Y34-N38 VanDerWaalsContact O-CB 3.27Å; Y34-N38 WeakPolarHBondContact O-CB 3.48Å; Y34-N38 PolarHBondContact O-N 2.88Å; Y34-N38 PolarHBondContact O-ND2 2.74Å; I35-N38 PolarHBondContact O-N 2.74Å; N38-K40 VanDerWaalsContact C-N 3.26Å; N38-K40 PolarHBondContact O-N 3.26Å; N38-E41 PolarHBondContact O-N 3.5Å; N38-Y42 VanDerWaalsContact O-CB 3.3Å; N38-Y42 WeakPolarHBondContact O-CB 3.5Å; N38-Y42 PolarHBondContact O-N 3.2Å; N38-M117 HydrophobicContact CB-CE 4.14Å
39V98.4Very high96.8Very high0 Ų063 Ų630%030%0.304CS..Hα-helixtrans-57.1-38.7-174.157.40000112.6I35 L43 V94 V97 L113 M117I35-V39 VanDerWaalsContact O-CB 3.25Å; I35-V39 WeakPolarHBondContact O-CB 3.35Å; I35-V39 WeakPolarHBondContact O-CG1 3.47Å; I35-V39 PolarHBondContact O-N 3.27Å; V39-L43 HydrophobicContact CG2-CD1 3.85Å; V39-L43 HydrophobicContact CG2-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CB 3.34Å; V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 3.39Å; V39-V94 HydrophobicContact CG1-CB 4.38Å; V39-V94 HydrophobicContact CG1-CG1 3.93Å; V39-V94 HydrophobicContact CG1-CG2 4.09Å; V39-V94 HydrophobicContact CG2-CG2 4.3Å; V39-V97 HydrophobicContact CG2-CB 4.4Å; V39-V97 HydrophobicContact CG2-CG1 4.24Å; V39-V97 HydrophobicContact CG2-CG2 4.37Å; V39-L113 HydrophobicContact CG2-CD2 4.2Å; V39-M117 HydrophobicContact CB-CE 3.85Å; V39-M117 HydrophobicContact CB-SD 4.12Å; V39-M117 HydrophobicContact CG2-SD 4.25Å
40K98.4Very high97Very high82 Ų8265.5 Ų65.536%0.35731%0.312SS..Hα-helixtrans-65.8-51.2178.9-174.5175.6-63.2-171.40112.1N38 Y42 L43 Q44 I90 V94N38-K40 VanDerWaalsContact C-N 3.26Å; N38-K40 PolarHBondContact O-N 3.26Å; K40-Y42 VanDerWaalsContact C-N 3.31Å; K40-Y42 PolarHBondContact O-N 3.25Å; K40-L43 PolarHBondContact O-N 3.01Å; K40-Q44 WeakPolarHBondContact O-CB 3.45Å; K40-Q44 VanDerWaalsContact O-CG 3.24Å; K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.13Å; K40-I90 HydrophobicContact CG-CG2 4.29Å; K40-V94 HydrophobicContact CB-CG2 3.82Å; K40-V94 HydrophobicContact CG-CG2 4.3Å
41E97.9Very high97Very high114 Ų11464.7 Ų64.753%0.53331%0.307SS..Hα-helixtrans-64.1-40-180-176.4-179.4158.900111N38 Q44 T45N38-E41 PolarHBondContact O-N 3.5Å; E41-Q44 PolarHBondContact O-N 3.49Å; E41-T45 WeakPolarHBondContact O-CB 3.41Å; E41-T45 PolarHBondContact O-N 3Å; E41-T45 PolarHBondContact O-OG1 3.24Å
42Y98.3Very high97.2Very high20 Ų2064.1 Ų64.18%0.07830%0.304CS..Hα-helixtrans-59.2-52.9176-177.5-93.9000111.1N38 K40 Q44 T45 H46 L113 H116 M117 A120N38-Y42 VanDerWaalsContact O-CB 3.3Å; N38-Y42 WeakPolarHBondContact O-CB 3.5Å; N38-Y42 PolarHBondContact O-N 3.2Å; K40-Y42 VanDerWaalsContact C-N 3.31Å; K40-Y42 PolarHBondContact O-N 3.25Å; Y42-Q44 VanDerWaalsContact C-N 3.32Å; Y42-Q44 PolarHBondContact O-N 3.45Å; Y42-T45 PolarHBondContact O-N 3.2Å; Y42-H46 AromaticContact CD2-CD2 3.35Å; Y42-H46 WeakPolarHBondContact CD2-CD2 3.41Å; Y42-H46 AromaticContact CD2-NE2 3.82Å; Y42-H46 HydrophobicContact CE1-CB 4.49Å; Y42-H46 AromaticContact CE2-CD2 3.39Å; Y42-H46 WeakPolarHBondContact CE2-CD2 3.38Å; Y42-H46 AromaticContact CE2-NE2 3.77Å; Y42-H46 AromaticContact CG-CD2 3.87Å; Y42-H46 AromaticContact CZ-CD2 3.94Å; Y42-H46 WeakPolarHBondContact O-CB 3.37Å; Y42-H46 PolarHBondContact O-CD2 2.86Å; Y42-H46 PolarHBondContact O-N 3.36Å; Y42-L113 HydrophobicContact CD1-CD1 4.09Å; Y42-L113 HydrophobicContact CE1-CD1 3.79Å; Y42-H116 WeakPolarHBondContact OH-CB 3.29Å; Y42-M117 HydrophobicContact CD1-CG 3.54Å; Y42-M117 HydrophobicContact CD1-SD 4.27Å; Y42-M117 HydrophobicContact CD2-CG 3.88Å; Y42-M117 HydrophobicContact CE1-CG 3.76Å; Y42-M117 HydrophobicContact CE2-CG 4.1Å; Y42-M117 HydrophobicContact CG-CG 3.61Å; Y42-M117 HydrophobicContact CG-SD 4.42Å; Y42-A120 HydrophobicContact CE2-CB 4.13Å
43L98.1Very high97.4Very high0 Ų064.9 Ų64.90%031%0.308CS..Hα-helixtrans-61.5-39.8179-70.1171.7000112.1V39 K40 T45 W47 V56 I90 V93 V94 L113V39-L43 HydrophobicContact CG2-CD1 3.85Å; V39-L43 HydrophobicContact CG2-CG 4.29Å; V39-L43 WeakPolarHBondContact O-CB 3.34Å; V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 3.39Å; K40-L43 PolarHBondContact O-N 3.01Å; L43-T45 VanDerWaalsContact C-N 3.32Å; L43-T45 PolarHBondContact O-N 3.26Å; L43-W47 HydrophobicContact CB-CE3 4.38Å; L43-W47 HydrophobicContact CD2-CZ3 4.38Å; L43-W47 WeakPolarHBondContact O-CA 3.44Å; L43-W47 VanDerWaalsContact O-CB 3.26Å; L43-W47 WeakPolarHBondContact O-CB 3.03Å; L43-W47 PolarHBondContact O-N 3.5Å; L43-V56 HydrophobicContact CD2-CG2 3.98Å; L43-I90 HydrophobicContact CB-CG1 4.37Å; L43-I90 HydrophobicContact CB-CG2 4.08Å; L43-I90 HydrophobicContact CD1-CG2 4.35Å; L43-V93 HydrophobicContact CD1-CB 3.89Å; L43-V93 HydrophobicContact CD1-CG1 3.56Å; L43-V93 HydrophobicContact CD2-CG1 4.47Å; L43-V94 HydrophobicContact CD1-CG2 4.1Å; L43-L113 HydrophobicContact CD2-CD1 4.45Å
44Q97Very high97.4Very high106 Ų10668.8 Ų68.850%0.49532%0.324SS..Hα-helixtrans-63.4-37.8176.8-74.1172-18.700112.7K40 E41 Y42 I90K40-Q44 WeakPolarHBondContact O-CB 3.45Å; K40-Q44 VanDerWaalsContact O-CG 3.24Å; K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.13Å; E41-Q44 PolarHBondContact O-N 3.49Å; Y42-Q44 VanDerWaalsContact C-N 3.32Å; Y42-Q44 PolarHBondContact O-N 3.45Å; Q44-I90 HydrophobicContact CB-CD1 4.46Å; Q44-I90 HydrophobicContact CG-CD1 3.76Å; Q44-I90 HydrophobicContact CG-CG2 4.33Å
45T97.3Very high97.5Very high92 Ų9267.5 Ų67.556%0.56432%0.319SS*.Hα-helixtrans-78.2-39.9-177.1-56.50000111.9E41 Y42 L43E41-T45 WeakPolarHBondContact O-CB 3.41Å; E41-T45 PolarHBondContact O-N 3Å; E41-T45 PolarHBondContact O-OG1 3.24Å; Y42-T45 PolarHBondContact O-N 3.2Å; L43-T45 VanDerWaalsContact C-N 3.32Å; L43-T45 PolarHBondContact O-N 3.26Å
46H97.1Very high97.5Very high42 Ų4267.7 Ų67.719%0.19432%0.32CS..Hα-helixtrans-105.67.7-169.1-61.6-73.7000113.5Y42 E48 E49 C52Y42-H46 AromaticContact CD2-CD2 3.35Å; Y42-H46 WeakPolarHBondContact CD2-CD2 3.41Å; Y42-H46 AromaticContact CD2-NE2 3.82Å; Y42-H46 HydrophobicContact CE1-CB 4.49Å; Y42-H46 AromaticContact CE2-CD2 3.39Å; Y42-H46 WeakPolarHBondContact CE2-CD2 3.38Å; Y42-H46 AromaticContact CE2-NE2 3.77Å; Y42-H46 AromaticContact CG-CD2 3.87Å; Y42-H46 AromaticContact CZ-CD2 3.94Å; Y42-H46 WeakPolarHBondContact O-CB 3.37Å; Y42-H46 PolarHBondContact O-CD2 2.86Å; Y42-H46 PolarHBondContact O-N 3.36Å; H46-E48 PolarHBondContact O-N 3.21Å; H46-E48 VanDerWaalsContact O-N 3.09Å; H46-E49 HydrophobicContact CB-CG 4.29Å; H46-E49 IonicContact CE1-OE1 2.81Å; H46-E49 IonicContact CG-OE1 3.6Å; H46-E49 IonicContact CG-OE2 3.76Å; H46-E49 IonicContact ND1-OE1 3.93Å; H46-E49 PolarHBondContact ND1-OE1 2.98Å; H46-E49 IonicContact ND1-OE2 2.72Å; H46-E49 PolarHBondContact ND1-OE2 3.33Å; H46-E49 VanDerWaalsContact O-CB 3.29Å; H46-E49 WeakPolarHBondContact O-CB 3.36Å; H46-E49 PolarHBondContact O-N 2.95Å; H46-C52 HydrophobicContact CB-CB 4.28Å; H46-C52 WeakPolarHBondContact O-CB 3.47Å
47W96.3Very high97.5Very high43 Ų4366 Ų6616%0.16332%0.318CS..THydrogen-bonded Turntrans-52.9-37.8-171.6-167.8-102.4000115L43 E49 Q53 V56 L86 M89 I90L43-W47 HydrophobicContact CB-CE3 4.38Å; L43-W47 HydrophobicContact CD2-CZ3 4.38Å; L43-W47 WeakPolarHBondContact O-CA 3.44Å; L43-W47 VanDerWaalsContact O-CB 3.26Å; L43-W47 WeakPolarHBondContact O-CB 3.03Å; L43-W47 PolarHBondContact O-N 3.5Å; W47-E49 VanDerWaalsContact C-N 3.29Å; W47-Q53 WeakPolarHBondContact O-CG 3.35Å; W47-V56 HydrophobicContact CE3-CG2 4.49Å; W47-V56 HydrophobicContact CH2-CG1 3.87Å; W47-V56 HydrophobicContact CH2-CG2 4.04Å; W47-V56 HydrophobicContact CZ3-CG1 4.39Å; W47-V56 HydrophobicContact CZ3-CG2 3.73Å; W47-L86 VanDerWaalsContact CD1-CD1 3.5Å; W47-L86 HydrophobicContact CD2-CD1 3.52Å; W47-L86 HydrophobicContact CE3-CD1 4.27Å; W47-L86 HydrophobicContact CG-CD1 3.7Å; W47-L86 HydrophobicContact CH2-CD1 4.43Å; W47-L86 HydrophobicContact CZ2-CD1 3.71Å; W47-M89 HydrophobicContact CH2-CB 4.43Å; W47-M89 HydrophobicContact CH2-CG 3.49Å; W47-M89 VanDerWaalsContact CH2-CG 3.49Å; W47-M89 HydrophobicContact CZ2-CG 3.77Å; W47-I90 HydrophobicContact CD2-CG1 4.41Å; W47-I90 HydrophobicContact CE3-CD1 4.16Å; W47-I90 HydrophobicContact CE3-CG1 3.75Å; W47-I90 HydrophobicContact CH2-CG1 4.35Å; W47-I90 HydrophobicContact CZ3-CG1 3.72Å
48E95.8Very high97.5Very high147 Ų14761.6 Ų61.669%0.68730%0.299SS*.THydrogen-bonded Turntrans-83.3-4.8-177.3-59-57.9150.700113.1H46H46-E48 PolarHBondContact O-N 3.21Å; H46-E48 VanDerWaalsContact O-N 3.09Å
49E97.7Very high97.5Very high85 Ų8560.1 Ų60.140%0.39729%0.291SS..SBendtrans-74.7133.8176.3-61.7-178.7176.600110.3H46 W47 E51 C52 Q53H46-E49 HydrophobicContact CB-CG 4.29Å; H46-E49 IonicContact CE1-OE1 2.81Å; H46-E49 IonicContact CG-OE1 3.6Å; H46-E49 IonicContact CG-OE2 3.76Å; H46-E49 IonicContact ND1-OE1 3.93Å; H46-E49 PolarHBondContact ND1-OE1 2.98Å; H46-E49 IonicContact ND1-OE2 2.72Å; H46-E49 PolarHBondContact ND1-OE2 3.33Å; H46-E49 VanDerWaalsContact O-CB 3.29Å; H46-E49 WeakPolarHBondContact O-CB 3.36Å; H46-E49 PolarHBondContact O-N 2.95Å; W47-E49 VanDerWaalsContact C-N 3.29Å; E49-E51 PolarHBondContact O-N 2.92Å; E49-E51 VanDerWaalsContact O-N 3.15Å; E49-C52 HydrophobicContact CB-CB 4.22Å; E49-C52 PolarHBondContact O-N 3.12Å; E49-C52 VanDerWaalsContact O-N 3.09Å; E49-Q53 WeakPolarHBondContact O-CG 3.49Å; E49-Q53 PolarHBondContact O-N 3.05Å
50E97.8Very high97.4Very high150 Ų15062.9 Ų62.970%0.70130%0.302SS*.Hα-helixtrans-55.4-36.2179.7-68.5-174.417600112.2Q53 Q54E50-Q53 PolarHBondContact O-N 2.81Å; E50-Q54 VanDerWaalsContact O-CG 3.22Å; E50-Q54 WeakPolarHBondContact O-CG 3.19Å; E50-Q54 PolarHBondContact O-N 3.36Å
51E97Very high97.4Very high64 Ų6465.1 Ų65.130%0.29931%0.311SS..Hα-helixtrans-66.3-45.8178.3-171.8177.1-128.100111.8E49 Q53 Q54 D55 H116 R119E49-E51 PolarHBondContact O-N 2.92Å; E49-E51 VanDerWaalsContact O-N 3.15Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.01Å; E51-Q54 WeakPolarHBondContact O-CB 3.37Å; E51-Q54 PolarHBondContact O-N 2.87Å; E51-Q54 VanDerWaalsContact O-N 3.15Å; E51-D55 VanDerWaalsContact O-CG 3.29Å; E51-D55 PolarHBondContact O-N 3.14Å; E51-H116 WeakPolarHBondContact CG-CE1 3.31Å; E51-H116 WeakPolarHBondContact CG-ND1 3.48Å; E51-H116 IonicContact OE1-CD2 2.7Å; E51-H116 IonicContact OE1-CE1 3.44Å; E51-H116 PolarHBondContact OE1-CE1 2.91Å; E51-H116 IonicContact OE1-CG 3.44Å; E51-H116 IonicContact OE1-ND1 3.22Å; E51-H116 IonicContact OE1-NE2 2.63Å; E51-H116 PolarHBondContact OE1-NE2 3Å; E51-R119 IonicContact OE1-CZ 3.78Å; E51-R119 IonicContact OE1-NH1 3.44Å; E51-R119 IonicContact OE1-NH2 3.36Å; E51-R119 PolarHBondContact OE1-NH2 3.49Å; E51-R119 IonicContact OE2-CZ 3.66Å; E51-R119 IonicContact OE2-NH2 3.84Å; E51-R119 PolarHBondContact OE2-NH2 2.81Å
52C97.6Very high97.4Very high0 Ų061.1 Ų61.10%029%0.293CS..Hα-helixtrans-62.6-39.4174.9-173.80000111.4H46 E49 Q54 D55 V56H46-C52 HydrophobicContact CB-CB 4.28Å; H46-C52 WeakPolarHBondContact O-CB 3.47Å; E49-C52 HydrophobicContact CB-CB 4.22Å; E49-C52 PolarHBondContact O-N 3.12Å; E49-C52 VanDerWaalsContact O-N 3.09Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.09Å; C52-D55 WeakPolarHBondContact O-CB 3.39Å; C52-D55 PolarHBondContact O-N 3.32Å; C52-V56 WeakPolarHBondContact O-CG2 3.37Å; C52-V56 PolarHBondContact O-N 2.94Å
53Q97Very high97.4Very high88 Ų8860.4 Ų60.441%0.41129%0.291SS..Hα-helixtrans-63.5-36.7175.2-68-177.4-13.200112.5W47 E49 E50 E51 S57W47-Q53 WeakPolarHBondContact O-CG 3.35Å; E49-Q53 WeakPolarHBondContact O-CG 3.49Å; E49-Q53 PolarHBondContact O-N 3.05Å; E50-Q53 PolarHBondContact O-N 2.81Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.01Å; Q53-S57 VanDerWaalsContact O-CB 3.28Å; Q53-S57 WeakPolarHBondContact O-CB 3.39Å; Q53-S57 PolarHBondContact O-N 3.03Å; Q53-S57 PolarHBondContact O-OG 2.79Å
54Q97.6Very high97.3Very high112 Ų11266.6 Ų66.652%0.52332%0.32SS..Hα-helixtrans-67.4-43.5173.9-71.2167.618.900111.4E50 E51 C52 S57 L58E50-Q54 VanDerWaalsContact O-CG 3.22Å; E50-Q54 WeakPolarHBondContact O-CG 3.19Å; E50-Q54 PolarHBondContact O-N 3.36Å; E51-Q54 WeakPolarHBondContact O-CB 3.37Å; E51-Q54 PolarHBondContact O-N 2.87Å; E51-Q54 VanDerWaalsContact O-N 3.15Å; C52-Q54 VanDerWaalsContact C-N 3.31Å; C52-Q54 PolarHBondContact O-N 3.09Å; Q54-S57 WeakPolarHBondContact O-CB 3.26Å; Q54-S57 PolarHBondContact O-N 2.87Å; Q54-L58 PolarHBondContact O-N 3.12Å
55D97.8Very high97.3Very high0 Ų067.6 Ų67.60%033%0.325CS..Hα-helixtrans-58.1-52.1176-66.5-19.5000111.5E51 C52 S57 L58 L59 Q112 L113 H116E51-D55 VanDerWaalsContact O-CG 3.29Å; E51-D55 PolarHBondContact O-N 3.14Å; C52-D55 WeakPolarHBondContact O-CB 3.39Å; C52-D55 PolarHBondContact O-N 3.32Å; D55-S57 PolarHBondContact O-N 2.85Å; D55-L58 PolarHBondContact O-N 2.81Å; D55-L58 VanDerWaalsContact O-N 3.14Å; D55-L59 WeakPolarHBondContact O-CG 3.26Å; D55-L59 PolarHBondContact O-N 3.09Å; D55-Q112 WeakPolarHBondContact OD1-CG 3.36Å; D55-Q112 PolarHBondContact OD1-NE2 3.15Å; D55-L113 HydrophobicContact CB-CB 4.36Å; D55-L113 HydrophobicContact CB-CD1 4.23Å; D55-H116 VanDerWaalsContact CG-ND1 3.31Å; D55-H116 IonicContact OD1-CE1 3.19Å; D55-H116 PolarHBondContact OD1-CE1 3.02Å; D55-H116 IonicContact OD1-ND1 2.78Å; D55-H116 PolarHBondContact OD1-ND1 3.15Å; D55-H116 VanDerWaalsContact OD1-ND1 3.16Å; D55-H116 IonicContact OD2-CE1 3.89Å; D55-H116 IonicContact OD2-CG 3.68Å; D55-H116 IonicContact OD2-ND1 3.58Å; D55-H116 PolarHBondContact OD2-ND1 3.45Å
56V97.4Very high97.3Very high4 Ų463.6 Ų63.62%0.02430%0.3CS..Hα-helixtrans-61.1-36.4178.1172.80000111L43 W47 C52 L59 R60 V93L43-V56 HydrophobicContact CD2-CG2 3.98Å; W47-V56 HydrophobicContact CE3-CG2 4.49Å; W47-V56 HydrophobicContact CH2-CG1 3.87Å; W47-V56 HydrophobicContact CH2-CG2 4.04Å; W47-V56 HydrophobicContact CZ3-CG1 4.39Å; W47-V56 HydrophobicContact CZ3-CG2 3.73Å; C52-V56 WeakPolarHBondContact O-CG2 3.37Å; C52-V56 PolarHBondContact O-N 2.94Å; V56-L59 PolarHBondContact O-N 3.08Å; V56-R60 WeakPolarHBondContact O-CB 3.48Å; V56-R60 PolarHBondContact O-N 3.26Å; V56-V93 HydrophobicContact CG1-CG2 4.05Å
57S97.1Very high97.3Very high55 Ų5565.1 Ų65.139%0.38532%0.32SS..Hα-helixtrans-66.7-38.6176.5-64.50000112.7Q53 Q54 D55 K61Q53-S57 VanDerWaalsContact O-CB 3.28Å; Q53-S57 WeakPolarHBondContact O-CB 3.39Å; Q53-S57 PolarHBondContact O-N 3.03Å; Q53-S57 PolarHBondContact O-OG 2.79Å; Q54-S57 WeakPolarHBondContact O-CB 3.26Å; Q54-S57 PolarHBondContact O-N 2.87Å; D55-S57 PolarHBondContact O-N 2.85Å; S57-K61 WeakPolarHBondContact O-CG 3.44Å; S57-K61 PolarHBondContact O-N 2.92Å
58L97.4Very high97.2Very high59 Ų5970.3 Ų70.331%0.30935%0.345SS..Hα-helixtrans-68.4-42.6173.1-72.9-176.4000111.9Q54 D55 R60 K61 Q62 A109 Q112Q54-L58 PolarHBondContact O-N 3.12Å; D55-L58 PolarHBondContact O-N 2.81Å; D55-L58 VanDerWaalsContact O-N 3.14Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.49Å; L58-K61 PolarHBondContact O-N 2.93Å; L58-Q62 PolarHBondContact O-N 3.2Å; L58-A109 HydrophobicContact CB-CB 3.92Å; L58-Q112 VanDerWaalsContact CD1-OE1 3.29Å
59L98.1Very high97.2Very high0 Ų066.4 Ų66.40%033%0.329CS..Hα-helixtrans-60.2-41.1176.1-74.8166.3000111.4D55 V56 Q62 A63 I75 V93 V97 A109 L113D55-L59 WeakPolarHBondContact O-CG 3.26Å; D55-L59 PolarHBondContact O-N 3.09Å; V56-L59 PolarHBondContact O-N 3.08Å; L59-Q62 PolarHBondContact O-N 3.09Å; L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3Å; L59-I75 HydrophobicContact CB-CD1 3.79Å; L59-V93 HydrophobicContact CD1-CG1 3.92Å; L59-V97 HydrophobicContact CD1-CG2 4.09Å; L59-V97 HydrophobicContact CD2-CG2 4.35Å; L59-A109 HydrophobicContact CD2-CB 3.9Å; L59-A109 HydrophobicContact CG-CB 4.2Å; L59-L113 HydrophobicContact CD1-CB 4.3Å; L59-L113 HydrophobicContact CD1-CD2 3.63Å
60R97.6Very high97.1Very high57 Ų5770.2 Ų70.222%0.21535%0.352CS..Hα-helixtrans-60.4-48.3175.4-173.6178-62.3102.32.9112.1V56 L58 Q62 A63 E64 I75 M89V56-R60 WeakPolarHBondContact O-CB 3.48Å; V56-R60 PolarHBondContact O-N 3.26Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.49Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; R60-Q62 PolarHBondContact O-N 3.14Å; R60-A63 PolarHBondContact O-N 2.97Å; R60-E64 WeakPolarHBondContact O-CG 3.23Å; R60-E64 PolarHBondContact O-N 3.29Å; R60-I75 HydrophobicContact CB-CB 4.45Å; R60-I75 HydrophobicContact CB-CG2 4.23Å; R60-I75 HydrophobicContact CG-CB 4.42Å; R60-I75 HydrophobicContact CG-CG2 4.32Å; R60-M89 PolarHBondContact NH2-SD 3.41Å; R60-M89 VanDerWaalsContact NH2-SD 3.4Å
61K97.4Very high96.9Very high129 Ų12965.5 Ų65.556%0.56134%0.344SS*.Hα-helixtrans-59.2-43.4175.9-72.4177.7179.2178.70111.8S57 L58 A63 E64 E65S57-K61 WeakPolarHBondContact O-CG 3.44Å; S57-K61 PolarHBondContact O-N 2.92Å; L58-K61 PolarHBondContact O-N 2.93Å; K61-A63 PolarHBondContact O-N 3.32Å; K61-E64 WeakPolarHBondContact O-CB 3.49Å; K61-E64 PolarHBondContact O-N 3.06Å; K61-E65 PolarHBondContact O-N 3.19Å; K61-E65 VanDerWaalsContact O-N 3.08Å
62Q97.9Very high96.9Very high31 Ų3163.8 Ų63.815%0.14534%0.34CS..Hα-helixtrans-62.5-43.2177.1-171.161.778.900111.4L58 L59 R60 E64 E65 D66 T107 A109L58-Q62 PolarHBondContact O-N 3.2Å; L59-Q62 PolarHBondContact O-N 3.09Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; R60-Q62 PolarHBondContact O-N 3.14Å; Q62-E64 VanDerWaalsContact C-N 3.3Å; Q62-E64 PolarHBondContact O-N 3.49Å; Q62-E65 PolarHBondContact NE2-OE2 3.05Å; Q62-E65 VanDerWaalsContact NE2-OE2 3.15Å; Q62-E65 WeakPolarHBondContact O-CB 3.47Å; Q62-E65 PolarHBondContact O-N 3.48Å; Q62-D66 WeakPolarHBondContact CG-OD2 3.22Å; Q62-D66 PolarHBondContact NE2-OD1 3.32Å; Q62-D66 PolarHBondContact NE2-OD2 3.45Å; Q62-D66 WeakPolarHBondContact O-CB 3.31Å; Q62-D66 PolarHBondContact O-N 3.24Å; Q62-T107 HydrophobicContact CG-CG2 3.92Å; Q62-A109 HydrophobicContact CB-CB 3.88Å; Q62-A109 HydrophobicContact CG-CB 4.32Å
63A97.8Very high96.9Very high5 Ų565.4 Ų65.44%0.04135%0.35CS..Hα-helixtrans-62.7-34.8176.600000112.8L59 R60 K61 D66 A67 I75L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3Å; R60-A63 PolarHBondContact O-N 2.97Å; K61-A63 PolarHBondContact O-N 3.32Å; A63-D66 PolarHBondContact O-N 3.12Å; A63-A67 PolarHBondContact O-N 3.5Å; A63-A67 VanDerWaalsContact O-N 3.16Å; A63-I75 HydrophobicContact CB-CB 4.29Å; A63-I75 HydrophobicContact CB-CD1 4.14Å; A63-I75 HydrophobicContact CB-CG1 4.04Å
64E97.3Very high96.9Very high130 Ų13065.3 Ų65.361%0.60736%0.357SS*.Hα-helixtrans-65.7-43.5172.9-70.7168.5-167.500111.9R60 K61 Q62 D66 A67R60-E64 WeakPolarHBondContact O-CG 3.23Å; R60-E64 PolarHBondContact O-N 3.29Å; K61-E64 WeakPolarHBondContact O-CB 3.49Å; K61-E64 PolarHBondContact O-N 3.06Å; Q62-E64 VanDerWaalsContact C-N 3.3Å; Q62-E64 PolarHBondContact O-N 3.49Å; E64-D66 VanDerWaalsContact C-N 3.26Å; E64-D66 PolarHBondContact O-N 2.91Å; E64-A67 WeakPolarHBondContact O-CB 3.26Å; E64-A67 PolarHBondContact O-N 3.36Å
65E96.9Very high96.8Very high126 Ų12660.5 Ų60.559%0.58934%0.335SS*.Hα-helixtrans-61.8-37.3174.7-69.6175.1-17600111.7K61 Q62 A67 H68K61-E65 PolarHBondContact O-N 3.19Å; K61-E65 VanDerWaalsContact O-N 3.08Å; Q62-E65 PolarHBondContact NE2-OE2 3.05Å; Q62-E65 VanDerWaalsContact NE2-OE2 3.15Å; Q62-E65 WeakPolarHBondContact O-CB 3.47Å; Q62-E65 PolarHBondContact O-N 3.48Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 2.91Å; E65-H68 PolarHBondContact O-CE1 3.2Å; E65-H68 PolarHBondContact O-ND1 3.4Å
66D96.9Very high96.5Very high9 Ų963.9 Ų63.95%0.04836%0.357CS..G310 helixtrans-83.3-4.5-176.5-64.3-35.3000114.2Q62 A63 E64 H68 L69 A72 W99 R105Q62-D66 WeakPolarHBondContact CG-OD2 3.22Å; Q62-D66 PolarHBondContact NE2-OD1 3.32Å; Q62-D66 PolarHBondContact NE2-OD2 3.45Å; Q62-D66 WeakPolarHBondContact O-CB 3.31Å; Q62-D66 PolarHBondContact O-N 3.24Å; A63-D66 PolarHBondContact O-N 3.12Å; E64-D66 VanDerWaalsContact C-N 3.26Å; E64-D66 PolarHBondContact O-N 2.91Å; D66-H68 PolarHBondContact O-N 3.43Å; D66-L69 HydrophobicContact CB-CD1 4.07Å; D66-L69 WeakPolarHBondContact O-CB 3.15Å; D66-L69 WeakPolarHBondContact O-CG 3.31Å; D66-L69 PolarHBondContact O-N 3.02Å; D66-A72 VanDerWaalsContact O-CB 3.3Å; D66-A72 WeakPolarHBondContact O-CB 3.32Å; D66-W99 HydrophobicContact CB-CH2 4.03Å; D66-W99 HydrophobicContact CB-CZ3 4.35Å; D66-R105 VanDerWaalsContact CG-NH2 3.27Å; D66-R105 IonicContact OD1-CZ 2.97Å; D66-R105 IonicContact OD1-NH1 3.13Å; D66-R105 PolarHBondContact OD1-NH1 3.08Å; D66-R105 IonicContact OD1-NH2 3.74Å; D66-R105 PolarHBondContact OD1-NH2 2.71Å; D66-R105 IonicContact OD2-CZ 2.66Å; D66-R105 IonicContact OD2-NH1 3.56Å; D66-R105 PolarHBondContact OD2-NH1 2.97Å; D66-R105 IonicContact OD2-NH2 2.74Å; D66-R105 PolarHBondContact OD2-NH2 3.39Å
67A96.3Very high95.8Very high74 Ų7467.4 Ų67.461%0.61239%0.386SS*.G310 helixtrans-59.1-15-173.900000114.5A63 E64 E65A63-A67 PolarHBondContact O-N 3.5Å; A63-A67 VanDerWaalsContact O-N 3.16Å; E64-A67 WeakPolarHBondContact O-CB 3.26Å; E64-A67 PolarHBondContact O-N 3.36Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 2.91Å
68H95.6Very high94.9Very high151 Ų15167.9 Ų67.970%0.69939%0.394SS*.G310 helixtrans-85.2-10.5176.268.4-81.3000114E65 D66E65-H68 PolarHBondContact O-CE1 3.2Å; E65-H68 PolarHBondContact O-ND1 3.4Å; D66-H68 PolarHBondContact O-N 3.43Å
69L95.6Very high93.8Very high66 Ų6670.2 Ų70.235%0.34642%0.415SS..SBendtrans-82.6142.4-178.7-59.5175.5000111D66 G71 A72 W99D66-L69 HydrophobicContact CB-CD1 4.07Å; D66-L69 WeakPolarHBondContact O-CB 3.15Å; D66-L69 WeakPolarHBondContact O-CG 3.31Å; D66-L69 PolarHBondContact O-N 3.02Å; L69-G71 PolarHBondContact O-N 3.38Å; L69-A72 HydrophobicContact CB-CB 4.23Å; L69-A72 VanDerWaalsContact O-CB 3.24Å; L69-A72 WeakPolarHBondContact O-CB 3.31Å; L69-A72 PolarHBondContact O-N 3.42Å; L69-W99 HydrophobicContact CD1-CH2 4.12Å; L69-W99 HydrophobicContact CD1-CZ2 4.41Å
70D94.2Very high92.8Very high165 Ų16571.9 Ų71.988%0.88243%0.432SS*.THydrogen-bonded Turntrans-65.5134.6174.3-171.930.7000110.6A72D70-A72 PolarHBondContact O-N 3.07Å
71G94.4Very high91.9Very high51 Ų5177.2 Ų77.253%0.52647%0.465SS..THydrogen-bonded Turntrans69.89.5-174.400000115.6L69 V73 W99L69-G71 PolarHBondContact O-N 3.38Å; G71-V73 PolarHBondContact O-N 3.12Å; G71-W99 PolarHBondContact O-NE1 2.63Å
72A96.2Very high91.2Very high27 Ų2772.6 Ų72.622%0.22345%0.453CS..  trans-57.5135.1176.900000112D66 L69 D70 W99D66-A72 VanDerWaalsContact O-CB 3.3Å; D66-A72 WeakPolarHBondContact O-CB 3.32Å; L69-A72 HydrophobicContact CB-CB 4.23Å; L69-A72 VanDerWaalsContact O-CB 3.24Å; L69-A72 WeakPolarHBondContact O-CB 3.31Å; L69-A72 PolarHBondContact O-N 3.42Å; D70-A72 PolarHBondContact O-N 3.07Å; A72-W99 HydrophobicContact CB-CH2 4.21Å; A72-W99 HydrophobicContact CB-CZ2 4.13Å
73V97.8Very high90.5Very high34 Ų3476.7 Ų76.721%0.20648%0.481CS..  trans-98.2114.5178.8179.80000109.4G71 D95 N96 W99G71-V73 PolarHBondContact O-N 3.12Å; V73-D95 HydrophobicContact CG1-CB 3.75Å; V73-N96 HydrophobicContact CB-CB 4.2Å; V73-N96 HydrophobicContact CG1-CB 4.03Å; V73-N96 PolarHBondContact O-ND2 3.28Å; V73-W99 HydrophobicContact CB-CB 4.27Å; V73-W99 HydrophobicContact CB-CG 4.44Å; V73-W99 HydrophobicContact CG2-CB 3.57Å; V73-W99 HydrophobicContact CG2-CD2 4.34Å; V73-W99 HydrophobicContact CG2-CG 3.74Å
74P97.2Very high89.9Confident87 Ų8781.9 Ų81.957%0.56551%0.508SS*.  trans-75.3154.2-179.531.5-35.1000111.7P76P74-P76 WeakPolarHBondContact O-CD 3.36Å
75I96.5Very high89.5Confident10 Ų1077.7 Ų77.75%0.05149%0.489CS..  trans-113.695.1166.2-60.3172.2000107.3L59 R60 A63 M89 V93 N96L59-I75 HydrophobicContact CB-CD1 3.79Å; R60-I75 HydrophobicContact CB-CB 4.45Å; R60-I75 HydrophobicContact CB-CG2 4.23Å; R60-I75 HydrophobicContact CG-CB 4.42Å; R60-I75 HydrophobicContact CG-CG2 4.32Å; A63-I75 HydrophobicContact CB-CB 4.29Å; A63-I75 HydrophobicContact CB-CD1 4.14Å; A63-I75 HydrophobicContact CB-CG1 4.04Å; I75-M89 HydrophobicContact CG2-SD 3.84Å; I75-V93 HydrophobicContact CD1-CG2 4.24Å; I75-V93 HydrophobicContact CG2-CG2 3.96Å; I75-N96 HydrophobicContact CD1-CB 3.87Å; I75-N96 HydrophobicContact CG1-CB 3.83Å
76P90.2Very high89.1Confident72 Ų7274.3 Ų74.347%0.46848%0.475SS..PPolyproline II helixtrans-62.1164.2-175.6-23.234.6000113.2P74 M89P74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-M89 WeakPolarHBondContact O-CE 3.35Å
77A83.8Confident88.9Confident77 Ų7779.7 Ų79.764%0.63650%0.5SS*.PPolyproline II helixtrans-67.2150.4162.100000109.8S79A77-S79 PolarHBondContact O-N 2.96Å
78A78.4Confident88.7Confident65 Ų6582.2 Ų82.254%0.53750%0.499SS..PPolyproline II helixtrans-63.2132.4177.200000109.9G80 M89A78-G80 WeakPolarHBondContact CB-O 3.28Å; A78-G80 PolarHBondContact O-N 2.86Å; A78-M89 HydrophobicContact CB-CE 3.84Å; A78-M89 VanDerWaalsContact N-CE 3.33Å
79S73.1Confident88.7Confident109 Ų10975.7 Ų75.776%0.76247%0.469SS*.SBendtrans-79-11.1178.1-57.70000112.4A77A77-S79 PolarHBondContact O-N 2.96Å
80G78.3Confident88.7Confident34 Ų3472.9 Ų72.935%0.35145%0.454SS..  trans-179.4-170.2-179.100000110.6A78 D85A78-G80 WeakPolarHBondContact CB-O 3.28Å; A78-G80 PolarHBondContact O-N 2.86Å; G80-D85 VanDerWaalsContact C-OD2 3.26Å; G80-D85 VanDerWaalsContact CA-OD2 3.23Å; G80-D85 WeakPolarHBondContact CA-OD2 3.14Å
81N77.5Confident88.8Confident170 Ų17068.2 Ų68.291%0.90943%0.427SS*.SBendtrans-115.819.6176.865.1-5.5000112.6
82G83.6Confident89Confident31 Ų3166.5 Ų66.532%0.3241%0.408SS..SBendtrans-77.5163.7175.800000112.5D84 D85 L86G82-D84 PolarHBondContact O-N 3.4Å; G82-D85 PolarHBondContact N-OD2 2.94Å; G82-D85 VanDerWaalsContact N-OD2 3.09Å; G82-D85 WeakPolarHBondContact O-CB 3.48Å; G82-D85 PolarHBondContact O-N 3.27Å; G82-D85 VanDerWaalsContact O-N 3.17Å; G82-L86 PolarHBondContact O-N 3.42Å
83V82.4Confident89.1Confident118 Ų11865.2 Ų65.272%0.71540%0.398SS*.Hα-helixtrans-59.8-36.9176.3179.60000111.4L86 Q87V83-L86 PolarHBondContact O-N 3.09Å; V83-Q87 PolarHBondContact O-N 2.84Å
84D86.4Confident89.1Confident114 Ų11464.2 Ų64.261%0.6139%0.391SS*.Hα-helixtrans-67.2-37.8177.9-61.6-24.5000111.9G82 Q87 Q88G82-D84 PolarHBondContact O-N 3.4Å; D84-Q87 PolarHBondContact O-N 3.29Å; D84-Q88 WeakPolarHBondContact O-CG 3.16Å; D84-Q88 PolarHBondContact O-N 3.43Å
85D88.2Confident89.2Confident42 Ų4263.5 Ų63.523%0.22538%0.383CS..Hα-helixtrans-66.8-41175.5-61.5-60.1000111.1G80 G82 Q88 M89G80-D85 VanDerWaalsContact C-OD2 3.26Å; G80-D85 VanDerWaalsContact CA-OD2 3.23Å; G80-D85 WeakPolarHBondContact CA-OD2 3.14Å; G82-D85 PolarHBondContact N-OD2 2.94Å; G82-D85 VanDerWaalsContact N-OD2 3.09Å; G82-D85 WeakPolarHBondContact O-CB 3.48Å; G82-D85 PolarHBondContact O-N 3.27Å; G82-D85 VanDerWaalsContact O-N 3.17Å; D85-Q88 PolarHBondContact O-N 2.73Å; D85-M89 WeakPolarHBondContact O-CB 3.31Å; D85-M89 PolarHBondContact O-N 3.07Å
86L89.4Confident89.3Confident55 Ų5563 Ų6329%0.28838%0.381SS..Hα-helixtrans-62.6-45.1176.4175.557.8000111.4W47 G82 V83 Q88 M89 I90W47-L86 VanDerWaalsContact CD1-CD1 3.5Å; W47-L86 HydrophobicContact CD2-CD1 3.52Å; W47-L86 HydrophobicContact CE3-CD1 4.27Å; W47-L86 HydrophobicContact CG-CD1 3.7Å; W47-L86 HydrophobicContact CH2-CD1 4.43Å; W47-L86 HydrophobicContact CZ2-CD1 3.71Å; G82-L86 PolarHBondContact O-N 3.42Å; V83-L86 PolarHBondContact O-N 3.09Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.66Å; L86-M89 WeakPolarHBondContact O-CB 3.34Å; L86-M89 PolarHBondContact O-N 3.43Å; L86-I90 HydrophobicContact CD1-CD1 3.93Å; L86-I90 HydrophobicContact CD1-CG1 4.06Å; L86-I90 HydrophobicContact CG-CD1 4.02Å; L86-I90 WeakPolarHBondContact O-CG1 3.19Å; L86-I90 PolarHBondContact O-N 2.77Å
87Q91.6Very high89.6Confident122 Ų12259.6 Ų59.657%0.5736%0.358SS*.Hα-helixtrans-62.2-40.3179.4-170.7177.111.800111.9V83 D84 Q91V83-Q87 PolarHBondContact O-N 2.84Å; D84-Q87 PolarHBondContact O-N 3.29Å; Q87-Q91 WeakPolarHBondContact O-CB 3.42Å; Q87-Q91 PolarHBondContact O-N 3.01Å
88Q92.6Very high90.3Very high127 Ų12757.8 Ų57.859%0.59334%0.34SS*.Hα-helixtrans-65.5-42175.1-70.6174.730.500111.9D84 D85 L86 Q91 A92D84-Q88 WeakPolarHBondContact O-CG 3.16Å; D84-Q88 PolarHBondContact O-N 3.43Å; D85-Q88 PolarHBondContact O-N 2.73Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.66Å; Q88-Q91 PolarHBondContact O-N 3.11Å; Q88-A92 PolarHBondContact O-N 3.46Å
89M94.3Very high91.2Very high13 Ų1356 Ų566%0.06432%0.32CS..Hα-helixtrans-61.1-49.3176.1-179.467.461.100111.5W47 R60 I75 P76 A78 D85 L86 Q91 A92 V93W47-M89 HydrophobicContact CH2-CB 4.43Å; W47-M89 HydrophobicContact CH2-CG 3.49Å; W47-M89 VanDerWaalsContact CH2-CG 3.49Å; W47-M89 HydrophobicContact CZ2-CG 3.77Å; R60-M89 PolarHBondContact NH2-SD 3.41Å; R60-M89 VanDerWaalsContact NH2-SD 3.4Å; I75-M89 HydrophobicContact CG2-SD 3.84Å; P76-M89 WeakPolarHBondContact O-CE 3.35Å; A78-M89 HydrophobicContact CB-CE 3.84Å; A78-M89 VanDerWaalsContact N-CE 3.33Å; D85-M89 WeakPolarHBondContact O-CB 3.31Å; D85-M89 PolarHBondContact O-N 3.07Å; L86-M89 WeakPolarHBondContact O-CB 3.34Å; L86-M89 PolarHBondContact O-N 3.43Å; M89-Q91 VanDerWaalsContact C-N 3.28Å; M89-Q91 PolarHBondContact O-N 2.79Å; M89-A92 PolarHBondContact O-N 2.86Å; M89-V93 WeakPolarHBondContact O-CG2 3.42Å; M89-V93 PolarHBondContact O-N 2.9Å
90I96.3Very high92.4Very high7 Ų750.8 Ų50.84%0.03628%0.283CS..Hα-helixtrans-57.6-45.3177.7-71.7174.1000109.9K40 L43 Q44 W47 L86 A92 V93 V94K40-I90 HydrophobicContact CG-CG2 4.29Å; L43-I90 HydrophobicContact CB-CG1 4.37Å; L43-I90 HydrophobicContact CB-CG2 4.08Å; L43-I90 HydrophobicContact CD1-CG2 4.35Å; Q44-I90 HydrophobicContact CB-CD1 4.46Å; Q44-I90 HydrophobicContact CG-CD1 3.76Å; Q44-I90 HydrophobicContact CG-CG2 4.33Å; W47-I90 HydrophobicContact CD2-CG1 4.41Å; W47-I90 HydrophobicContact CE3-CD1 4.16Å; W47-I90 HydrophobicContact CE3-CG1 3.75Å; W47-I90 HydrophobicContact CH2-CG1 4.35Å; W47-I90 HydrophobicContact CZ3-CG1 3.72Å; L86-I90 HydrophobicContact CD1-CD1 3.93Å; L86-I90 HydrophobicContact CD1-CG1 4.06Å; L86-I90 HydrophobicContact CG-CD1 4.02Å; L86-I90 WeakPolarHBondContact O-CG1 3.19Å; L86-I90 PolarHBondContact O-N 2.77Å; I90-A92 VanDerWaalsContact C-N 3.33Å; I90-A92 PolarHBondContact O-N 2.85Å; I90-V93 PolarHBondContact O-N 3.06Å; I90-V94 HydrophobicContact CG2-CG2 4.2Å; I90-V94 VanDerWaalsContact O-CG2 3.26Å; I90-V94 WeakPolarHBondContact O-CG2 2.96Å; I90-V94 PolarHBondContact O-N 3.36Å
91Q97.6Very high93.2Very high67 Ų6750.4 Ų50.431%0.31327%0.273SS..Hα-helixtrans-61-42.2178.9-170.45954.300112.1Q87 Q88 M89 V93 V94 D95Q87-Q91 WeakPolarHBondContact O-CB 3.42Å; Q87-Q91 PolarHBondContact O-N 3.01Å; Q88-Q91 PolarHBondContact O-N 3.11Å; M89-Q91 VanDerWaalsContact C-N 3.28Å; M89-Q91 PolarHBondContact O-N 2.79Å; Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 3.05Å; Q91-V94 PolarHBondContact O-N 3.26Å; Q91-D95 PolarHBondContact NE2-OD1 2.82Å; Q91-D95 PolarHBondContact NE2-OD2 3.18Å; Q91-D95 WeakPolarHBondContact O-CB 3.12Å; Q91-D95 PolarHBondContact O-N 3.05Å
92A97.5Very high94Very high16 Ų1646.4 Ų46.413%0.13226%0.258CS..Hα-helixtrans-62.5-39.4176.200000112.7Q88 M89 I90 N96Q88-A92 PolarHBondContact O-N 3.46Å; M89-A92 PolarHBondContact O-N 2.86Å; I90-A92 VanDerWaalsContact C-N 3.33Å; I90-A92 PolarHBondContact O-N 2.85Å; A92-N96 VanDerWaalsContact O-CB 3.32Å; A92-N96 WeakPolarHBondContact O-CB 3.22Å; A92-N96 PolarHBondContact O-N 2.89Å
93V98.1Very high94.6Very high0 Ų049.6 Ų49.60%027%0.267CS..Hα-helixtrans-65.6-44.6175.1179.60000110.7L43 V56 L59 I75 M89 I90 Q91 N96 V97L43-V93 HydrophobicContact CD1-CB 3.89Å; L43-V93 HydrophobicContact CD1-CG1 3.56Å; L43-V93 HydrophobicContact CD2-CG1 4.47Å; V56-V93 HydrophobicContact CG1-CG2 4.05Å; L59-V93 HydrophobicContact CD1-CG1 3.92Å; I75-V93 HydrophobicContact CD1-CG2 4.24Å; I75-V93 HydrophobicContact CG2-CG2 3.96Å; M89-V93 WeakPolarHBondContact O-CG2 3.42Å; M89-V93 PolarHBondContact O-N 2.9Å; I90-V93 PolarHBondContact O-N 3.06Å; Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 3.05Å; V93-N96 PolarHBondContact O-N 3.17Å; V93-V97 HydrophobicContact CG1-CG2 4.35Å; V93-V97 VanDerWaalsContact O-CG2 3.3Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.32Å
94V98.4Very high94.9Very high12 Ų1249.1 Ų49.17%0.07326%0.261CS..Hα-helixtrans-58.3-50176.6170.20000110.7V39 K40 L43 I90 Q91 N96 V97 C98V39-V94 HydrophobicContact CG1-CB 4.38Å; V39-V94 HydrophobicContact CG1-CG1 3.93Å; V39-V94 HydrophobicContact CG1-CG2 4.09Å; V39-V94 HydrophobicContact CG2-CG2 4.3Å; K40-V94 HydrophobicContact CB-CG2 3.82Å; K40-V94 HydrophobicContact CG-CG2 4.3Å; L43-V94 HydrophobicContact CD1-CG2 4.1Å; I90-V94 HydrophobicContact CG2-CG2 4.2Å; I90-V94 VanDerWaalsContact O-CG2 3.26Å; I90-V94 WeakPolarHBondContact O-CG2 2.96Å; I90-V94 PolarHBondContact O-N 3.36Å; Q91-V94 PolarHBondContact O-N 3.26Å; V94-N96 VanDerWaalsContact C-N 3.29Å; V94-N96 PolarHBondContact O-N 2.88Å; V94-V97 PolarHBondContact O-N 2.84Å; V94-C98 PolarHBondContact O-N 2.93Å; V94-C98 PolarHBondContact O-SG 3.44Å; V94-C98 VanDerWaalsContact O-SG 3.35Å
95D98.4Very high95Very high73 Ų7346.3 Ų46.339%0.3924%0.241SC..Hα-helixtrans-62.3-39.3-179.4-65.1-20.9000111.1V73 Q91 W99V73-D95 HydrophobicContact CG1-CB 3.75Å; Q91-D95 PolarHBondContact NE2-OD1 2.82Å; Q91-D95 PolarHBondContact NE2-OD2 3.18Å; Q91-D95 WeakPolarHBondContact O-CB 3.12Å; Q91-D95 PolarHBondContact O-N 3.05Å; D95-W99 VanDerWaalsContact O-CB 3.26Å; D95-W99 WeakPolarHBondContact O-CB 3.38Å; D95-W99 PolarHBondContact O-N 3.48Å
96N98.4Very high94.8Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-66.1-43.2176.1177.7-89.1000112.7V73 I75 A92 V93 V94 W99 Q100V73-N96 HydrophobicContact CB-CB 4.2Å; V73-N96 HydrophobicContact CG1-CB 4.03Å; V73-N96 PolarHBondContact O-ND2 3.28Å; I75-N96 HydrophobicContact CD1-CB 3.87Å; I75-N96 HydrophobicContact CG1-CB 3.83Å; A92-N96 VanDerWaalsContact O-CB 3.32Å; A92-N96 WeakPolarHBondContact O-CB 3.22Å; A92-N96 PolarHBondContact O-N 2.89Å; V93-N96 PolarHBondContact O-N 3.17Å; V94-N96 VanDerWaalsContact C-N 3.29Å; V94-N96 PolarHBondContact O-N 2.88Å; N96-W99 PolarHBondContact O-N 2.84Å; N96-Q100 WeakPolarHBondContact O-CG 3.4Å; N96-Q100 PolarHBondContact O-N 3.3Å; N96-Q100 PolarHBondContact OD1-NE2 3.29Å
97V98.1Very high94.9Very high0 Ų047.8 Ų47.80%025%0.245CC..Hα-helixtrans-61.3-50.5176.9166.30000110.4I35 V39 L59 V93 V94 W99 Q100 M101 L110 L113I35-V97 HydrophobicContact CG2-CG1 4.12Å; V39-V97 HydrophobicContact CG2-CB 4.4Å; V39-V97 HydrophobicContact CG2-CG1 4.24Å; V39-V97 HydrophobicContact CG2-CG2 4.37Å; L59-V97 HydrophobicContact CD1-CG2 4.09Å; L59-V97 HydrophobicContact CD2-CG2 4.35Å; V93-V97 HydrophobicContact CG1-CG2 4.35Å; V93-V97 VanDerWaalsContact O-CG2 3.3Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.32Å; V94-V97 PolarHBondContact O-N 2.84Å; V97-W99 VanDerWaalsContact C-N 3.32Å; V97-W99 PolarHBondContact O-N 2.96Å; V97-Q100 PolarHBondContact O-N 3.04Å; V97-M101 HydrophobicContact CG1-SD 4.1Å; V97-M101 WeakPolarHBondContact O-CG 3.46Å; V97-M101 PolarHBondContact O-N 3.19Å; V97-L110 HydrophobicContact CB-CD1 4.4Å; V97-L110 HydrophobicContact CG1-CD1 3.84Å; V97-L110 HydrophobicContact CG2-CD1 4.35Å; V97-L113 HydrophobicContact CG2-CD2 3.81Å
98C97.6Very high94.9Very high38 Ų3846.8 Ų46.826%0.25725%0.247SC..Hα-helixtrans-62.1-39.7178.3-65.70000111.9V94 M101 S102V94-C98 PolarHBondContact O-N 2.93Å; V94-C98 PolarHBondContact O-SG 3.44Å; V94-C98 VanDerWaalsContact O-SG 3.35Å; C98-M101 PolarHBondContact O-N 2.83Å; C98-S102 WeakPolarHBondContact O-CB 3.42Å; C98-S102 PolarHBondContact O-N 2.94Å
99W97.9Very high95.1Very high27 Ų2741 Ų4110%0.10222%0.221CC..Hα-helixtrans-61.4-48.2174.2167.678.1000112.1D66 L69 G71 A72 V73 D95 N96 V97 M101 S102 L103 R105D66-W99 HydrophobicContact CB-CH2 4.03Å; D66-W99 HydrophobicContact CB-CZ3 4.35Å; L69-W99 HydrophobicContact CD1-CH2 4.12Å; L69-W99 HydrophobicContact CD1-CZ2 4.41Å; G71-W99 PolarHBondContact O-NE1 2.63Å; A72-W99 HydrophobicContact CB-CH2 4.21Å; A72-W99 HydrophobicContact CB-CZ2 4.13Å; V73-W99 HydrophobicContact CB-CB 4.27Å; V73-W99 HydrophobicContact CB-CG 4.44Å; V73-W99 HydrophobicContact CG2-CB 3.57Å; V73-W99 HydrophobicContact CG2-CD2 4.34Å; V73-W99 HydrophobicContact CG2-CG 3.74Å; D95-W99 VanDerWaalsContact O-CB 3.26Å; D95-W99 WeakPolarHBondContact O-CB 3.38Å; D95-W99 PolarHBondContact O-N 3.48Å; N96-W99 PolarHBondContact O-N 2.84Å; V97-W99 VanDerWaalsContact C-N 3.32Å; V97-W99 PolarHBondContact O-N 2.96Å; W99-M101 VanDerWaalsContact C-N 3.31Å; W99-M101 PolarHBondContact O-N 3.24Å; W99-S102 PolarHBondContact O-N 3.05Å; W99-S102 PolarHBondContact O-OG 2.91Å; W99-L103 HydrophobicContact CD2-CD1 4.49Å; W99-L103 HydrophobicContact CZ2-CD1 3.78Å; W99-L103 PolarHBondContact O-N 3.08Å; W99-R105 VanDerWaalsContact CH2-NH1 3.33Å; W99-R105 VanDerWaalsContact CZ3-NH1 3.32Å
100Q97.3Very high95.1Very high0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-59.5-42.6177.3-72.6-169.371.200111.6N96 V97 L103 R105 T107 L110N96-Q100 WeakPolarHBondContact O-CG 3.4Å; N96-Q100 PolarHBondContact O-N 3.3Å; N96-Q100 PolarHBondContact OD1-NE2 3.29Å; V97-Q100 PolarHBondContact O-N 3.04Å; Q100-L103 PolarHBondContact O-N 3.27Å; Q100-R105 HydrophobicContact CB-CB 4.31Å; Q100-R105 WeakPolarHBondContact O-CB 3.36Å; Q100-R105 PolarHBondContact O-N 3Å; Q100-T107 PolarHBondContact OE1-OG1 3.32Å; Q100-L110 HydrophobicContact CB-CD2 4.01Å
101M95.6Very high95Very high27 Ų2742.4 Ų42.413%0.13323%0.227CC..Hα-helixtrans-65.5-40.4177.8-72.4-17658.300112.7F32 I35 E36 V97 C98 W99 L103 D104 L110F32-M101 HydrophobicContact CB-CE 4.09Å; F32-M101 HydrophobicContact CD1-CE 4.03Å; F32-M101 WeakPolarHBondContact O-CE 3.42Å; I35-M101 HydrophobicContact CB-CE 4.1Å; I35-M101 HydrophobicContact CB-SD 3.94Å; I35-M101 HydrophobicContact CG2-CE 4.39Å; I35-M101 HydrophobicContact CG2-SD 3.55Å; I35-M101 VanDerWaalsContact CG2-SD 3.55Å; E36-M101 HydrophobicContact CG-CE 3.65Å; E36-M101 HydrophobicContact CG-SD 4Å; V97-M101 HydrophobicContact CG1-SD 4.1Å; V97-M101 WeakPolarHBondContact O-CG 3.46Å; V97-M101 PolarHBondContact O-N 3.19Å; C98-M101 PolarHBondContact O-N 2.83Å; W99-M101 VanDerWaalsContact C-N 3.31Å; W99-M101 PolarHBondContact O-N 3.24Å; M101-L103 PolarHBondContact O-N 3.27Å; M101-L103 VanDerWaalsContact O-N 3.08Å; M101-D104 PolarHBondContact O-N 3.12Å; M101-L110 HydrophobicContact CG-CD1 4.14Å; M101-L110 HydrophobicContact CG-CD2 3.96Å
102S95.3Very high94.8Very high85 Ų8542.1 Ų42.159%0.59423%0.225SC*.Hα-helixtrans-60.4-21.3177.876.80000114C98 W99C98-S102 WeakPolarHBondContact O-CB 3.42Å; C98-S102 PolarHBondContact O-N 2.94Å; W99-S102 PolarHBondContact O-N 3.05Å; W99-S102 PolarHBondContact O-OG 2.91Å
103L94.2Very high94.8Very high98 Ų9841.4 Ų41.451%0.51322%0.219SC..THydrogen-bonded Turntrans-103.610.2179.2-64-177.5000113.1W99 Q100 M101 R105W99-L103 HydrophobicContact CD2-CD1 4.49Å; W99-L103 HydrophobicContact CZ2-CD1 3.78Å; W99-L103 PolarHBondContact O-N 3.08Å; Q100-L103 PolarHBondContact O-N 3.27Å; M101-L103 PolarHBondContact O-N 3.27Å; M101-L103 VanDerWaalsContact O-N 3.08Å; L103-R105 HydrophobicContact CB-CG 3.79Å; L103-R105 PolarHBondContact O-N 3.42Å
104D89.8Confident94.7Very high108 Ų10841.8 Ų41.858%0.57822%0.221SC*.THydrogen-bonded Turntrans48.738-172.5-170.138.7000112.8M101 K106M101-D104 PolarHBondContact O-N 3.12Å; D104-K106 VanDerWaalsContact CG-CE 3.47Å; D104-K106 WeakPolarHBondContact OD1-CE 3.39Å; D104-K106 IonicContact OD1-NZ 2.64Å; D104-K106 VanDerWaalsContact OD2-CE 3.31Å; D104-K106 WeakPolarHBondContact OD2-CE 3.35Å; D104-K106 IonicContact OD2-NZ 3.17Å; D104-K106 PolarHBondContact OD2-NZ 3.14Å
105R89.2Confident94.5Very high55 Ų5541.2 Ų41.221%0.20822%0.218CC..  trans-78130179.8-65-171.771.3-139-0109.9D66 W99 Q100 L103 T107 L110D66-R105 VanDerWaalsContact CG-NH2 3.27Å; D66-R105 IonicContact OD1-CZ 2.97Å; D66-R105 IonicContact OD1-NH1 3.13Å; D66-R105 PolarHBondContact OD1-NH1 3.08Å; D66-R105 IonicContact OD1-NH2 3.74Å; D66-R105 PolarHBondContact OD1-NH2 2.71Å; D66-R105 IonicContact OD2-CZ 2.66Å; D66-R105 IonicContact OD2-NH1 3.56Å; D66-R105 PolarHBondContact OD2-NH1 2.97Å; D66-R105 IonicContact OD2-NH2 2.74Å; D66-R105 PolarHBondContact OD2-NH2 3.39Å; W99-R105 VanDerWaalsContact CH2-NH1 3.33Å; W99-R105 VanDerWaalsContact CZ3-NH1 3.32Å; Q100-R105 HydrophobicContact CB-CB 4.31Å; Q100-R105 WeakPolarHBondContact O-CB 3.36Å; Q100-R105 PolarHBondContact O-N 3Å; L103-R105 HydrophobicContact CB-CG 3.79Å; L103-R105 PolarHBondContact O-N 3.42Å; R105-T107 HydrophobicContact CB-CG2 4.45Å; R105-L110 WeakPolarHBondContact O-CD2 3.28Å
106K83.9Confident94.5Very high112 Ų11238.4 Ų38.449%0.48720%0.203SC..  trans-110.845.2-175-57.6-176.5-174.6179.70111.9D104 K111D104-K106 VanDerWaalsContact CG-CE 3.47Å; D104-K106 WeakPolarHBondContact OD1-CE 3.39Å; D104-K106 IonicContact OD1-NZ 2.64Å; D104-K106 VanDerWaalsContact OD2-CE 3.31Å; D104-K106 WeakPolarHBondContact OD2-CE 3.35Å; D104-K106 IonicContact OD2-NZ 3.17Å; D104-K106 PolarHBondContact OD2-NZ 3.14Å; K106-K111 WeakPolarHBondContact O-CE 3.47Å
107T91.6Very high94.5Very high17 Ų1738.5 Ų38.510%0.10420%0.203CC..  trans-64.7154.8-179.367.10000110.8Q62 Q100 R105 A109 L110 K111Q62-T107 HydrophobicContact CG-CG2 3.92Å; Q100-T107 PolarHBondContact OE1-OG1 3.32Å; R105-T107 HydrophobicContact CB-CG2 4.45Å; T107-A109 VanDerWaalsContact C-N 3.29Å; T107-A109 PolarHBondContact O-N 2.99Å; T107-L110 VanDerWaalsContact OG1-CB 3.31Å; T107-L110 WeakPolarHBondContact OG1-CB 3.26Å; T107-L110 PolarHBondContact OG1-N 3.42Å; T107-K111 WeakPolarHBondContact O-CG 3.47Å; T107-K111 PolarHBondContact O-N 3.08Å; T107-K111 VanDerWaalsContact O-N 3.13Å
108T91.3Very high94.5Very high100 Ų10039.2 Ų39.261%0.61321%0.205SC*.Hα-helixtrans-61.9-40.4176.2-59.70000111.1K111 Q112T108-K111 PolarHBondContact O-N 2.88Å; T108-Q112 WeakPolarHBondContact O-CB 3.38Å; T108-Q112 PolarHBondContact O-N 3.27Å
109A95.6Very high94.4Very high5 Ų540.7 Ų40.74%0.04121%0.206CC..Hα-helixtrans-61-47179.700000112.3L58 L59 Q62 T107 Q112 L113L58-A109 HydrophobicContact CB-CB 3.92Å; L59-A109 HydrophobicContact CD2-CB 3.9Å; L59-A109 HydrophobicContact CG-CB 4.2Å; Q62-A109 HydrophobicContact CB-CB 3.88Å; Q62-A109 HydrophobicContact CG-CB 4.32Å; T107-A109 VanDerWaalsContact C-N 3.29Å; T107-A109 PolarHBondContact O-N 2.99Å; A109-Q112 PolarHBondContact O-N 3.18Å; A109-L113 PolarHBondContact O-N 3.33Å
110L95.8Very high94.4Very high3 Ų340.8 Ų40.82%0.01621%0.212CC..Hα-helixtrans-63.3-49.2177.6-179.667.1000111.4V97 Q100 M101 R105 T107 Q112 L113 Q114V97-L110 HydrophobicContact CB-CD1 4.4Å; V97-L110 HydrophobicContact CG1-CD1 3.84Å; V97-L110 HydrophobicContact CG2-CD1 4.35Å; Q100-L110 HydrophobicContact CB-CD2 4.01Å; M101-L110 HydrophobicContact CG-CD1 4.14Å; M101-L110 HydrophobicContact CG-CD2 3.96Å; R105-L110 WeakPolarHBondContact O-CD2 3.28Å; T107-L110 VanDerWaalsContact OG1-CB 3.31Å; T107-L110 WeakPolarHBondContact OG1-CB 3.26Å; T107-L110 PolarHBondContact OG1-N 3.42Å; L110-Q112 PolarHBondContact O-N 3.02Å; L110-L113 PolarHBondContact O-N 3.29Å; L110-Q114 HydrophobicContact CD1-CG 4.24Å; L110-Q114 HydrophobicContact CG-CG 4.25Å; L110-Q114 WeakPolarHBondContact O-CB 3.39Å; L110-Q114 VanDerWaalsContact O-CG 3.26Å; L110-Q114 WeakPolarHBondContact O-CG 3.32Å; L110-Q114 PolarHBondContact O-N 3.16Å
111K92.6Very high94.3Very high48 Ų4840.8 Ų40.821%0.20921%0.212CC..Hα-helixtrans-61.5-31.8-178.1-72.9-173.1-62-176.20113K106 T107 T108 G115K106-K111 WeakPolarHBondContact O-CE 3.47Å; T107-K111 WeakPolarHBondContact O-CG 3.47Å; T107-K111 PolarHBondContact O-N 3.08Å; T107-K111 VanDerWaalsContact O-N 3.13Å; T108-K111 PolarHBondContact O-N 2.88Å; K111-G115 PolarHBondContact O-N 3.09Å
112Q94.3Very high94.4Very high60 Ų6039.7 Ų39.728%0.2821%0.207SC..Hα-helixtrans-66.6-54.2178.4-169175-71.900110.9D55 L58 T108 A109 L110 Q114 G115 H116D55-Q112 WeakPolarHBondContact OD1-CG 3.36Å; D55-Q112 PolarHBondContact OD1-NE2 3.15Å; L58-Q112 VanDerWaalsContact CD1-OE1 3.29Å; T108-Q112 WeakPolarHBondContact O-CB 3.38Å; T108-Q112 PolarHBondContact O-N 3.27Å; A109-Q112 PolarHBondContact O-N 3.18Å; L110-Q112 PolarHBondContact O-N 3.02Å; Q112-Q114 VanDerWaalsContact C-N 3.31Å; Q112-Q114 PolarHBondContact O-N 3.45Å; Q112-G115 PolarHBondContact O-N 3.36Å; Q112-G115 VanDerWaalsContact O-N 3.11Å; Q112-H116 PolarHBondContact O-N 2.68Å; Q112-H116 VanDerWaalsContact O-N 3.13Å
113L96.9Very high94.3Very high1 Ų140.3 Ų40.31%0.00521%0.207CC..Hα-helixtrans-57.9-44.7176.5177.263.5000111.5V39 Y42 L43 D55 L59 V97 A109 L110 G115 H116 M117V39-L113 HydrophobicContact CG2-CD2 4.2Å; Y42-L113 HydrophobicContact CD1-CD1 4.09Å; Y42-L113 HydrophobicContact CE1-CD1 3.79Å; L43-L113 HydrophobicContact CD2-CD1 4.45Å; D55-L113 HydrophobicContact CB-CB 4.36Å; D55-L113 HydrophobicContact CB-CD1 4.23Å; L59-L113 HydrophobicContact CD1-CB 4.3Å; L59-L113 HydrophobicContact CD1-CD2 3.63Å; V97-L113 HydrophobicContact CG2-CD2 3.81Å; A109-L113 PolarHBondContact O-N 3.33Å; L110-L113 PolarHBondContact O-N 3.29Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.07Å; L113-H116 PolarHBondContact O-N 3.27Å; L113-M117 HydrophobicContact CD1-CG 4.15Å; L113-M117 HydrophobicContact CD1-SD 4.2Å; L113-M117 HydrophobicContact CD2-SD 4.34Å; L113-M117 HydrophobicContact CG-CG 4.34Å; L113-M117 HydrophobicContact CG-SD 3.92Å; L113-M117 WeakPolarHBondContact O-CG 3.49Å; L113-M117 PolarHBondContact O-N 3.35Å
114Q96.3Very high94.4Very high8 Ų838.5 Ų38.54%0.03721%0.207CC..Hα-helixtrans-57.7-43.8177.1-72176.4-3100111.9I35 L110 Q112 H116 M117 W118I35-Q114 HydrophobicContact CD1-CB 4.14Å; I35-Q114 HydrophobicContact CD1-CG 4.11Å; I35-Q114 HydrophobicContact CG1-CB 4.48Å; I35-Q114 HydrophobicContact CG1-CG 4.02Å; I35-Q114 HydrophobicContact CG2-CG 4.11Å; L110-Q114 HydrophobicContact CD1-CG 4.24Å; L110-Q114 HydrophobicContact CG-CG 4.25Å; L110-Q114 WeakPolarHBondContact O-CB 3.39Å; L110-Q114 VanDerWaalsContact O-CG 3.26Å; L110-Q114 WeakPolarHBondContact O-CG 3.32Å; L110-Q114 PolarHBondContact O-N 3.16Å; Q112-Q114 VanDerWaalsContact C-N 3.31Å; Q112-Q114 PolarHBondContact O-N 3.45Å; Q114-H116 PolarHBondContact O-N 3.29Å; Q114-M117 PolarHBondContact O-N 2.99Å; Q114-W118 HydrophobicContact CB-CD2 4.43Å; Q114-W118 HydrophobicContact CB-CE3 4.03Å; Q114-W118 HydrophobicContact CB-CH2 3.78Å; Q114-W118 HydrophobicContact CB-CZ2 4.2Å; Q114-W118 HydrophobicContact CB-CZ3 3.68Å; Q114-W118 HydrophobicContact CG-CH2 4.38Å; Q114-W118 WeakPolarHBondContact O-CB 3.41Å; Q114-W118 VanDerWaalsContact O-CE3 3.27Å; Q114-W118 VanDerWaalsContact O-CG 3.27Å; Q114-W118 PolarHBondContact O-N 3.11Å
115G95.4Very high94.6Very high1 Ų135.9 Ų35.91%0.0121%0.205CC..Hα-helixtrans-56.6-47.8175.500000112.7K111 Q112 L113 W118 R119K111-G115 PolarHBondContact O-N 3.09Å; Q112-G115 PolarHBondContact O-N 3.36Å; Q112-G115 VanDerWaalsContact O-N 3.11Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.07Å; G115-W118 PolarHBondContact O-N 2.92Å; G115-R119 WeakPolarHBondContact O-CB 3.22Å; G115-R119 PolarHBondContact O-N 3.39Å
116H97.4Very high94.9Very high14 Ų1440.9 Ų40.97%0.06522%0.224CC..Hα-helixtrans-68.5-40.2-179.5-58.7165.6000112.5Y42 E51 D55 Q112 L113 Q114 R119 A120 E158Y42-H116 WeakPolarHBondContact OH-CB 3.29Å; E51-H116 WeakPolarHBondContact CG-CE1 3.31Å; E51-H116 WeakPolarHBondContact CG-ND1 3.48Å; E51-H116 IonicContact OE1-CD2 2.7Å; E51-H116 IonicContact OE1-CE1 3.44Å; E51-H116 PolarHBondContact OE1-CE1 2.91Å; E51-H116 IonicContact OE1-CG 3.44Å; E51-H116 IonicContact OE1-ND1 3.22Å; E51-H116 IonicContact OE1-NE2 2.63Å; E51-H116 PolarHBondContact OE1-NE2 3Å; D55-H116 VanDerWaalsContact CG-ND1 3.31Å; D55-H116 IonicContact OD1-CE1 3.19Å; D55-H116 PolarHBondContact OD1-CE1 3.02Å; D55-H116 IonicContact OD1-ND1 2.78Å; D55-H116 PolarHBondContact OD1-ND1 3.15Å; D55-H116 VanDerWaalsContact OD1-ND1 3.16Å; D55-H116 IonicContact OD2-CE1 3.89Å; D55-H116 IonicContact OD2-CG 3.68Å; D55-H116 IonicContact OD2-ND1 3.58Å; D55-H116 PolarHBondContact OD2-ND1 3.45Å; Q112-H116 PolarHBondContact O-N 2.68Å; Q112-H116 VanDerWaalsContact O-N 3.13Å; L113-H116 PolarHBondContact O-N 3.27Å; Q114-H116 PolarHBondContact O-N 3.29Å; H116-R119 PolarHBondContact CD2-NH1 2.77Å; H116-R119 VanDerWaalsContact CD2-NH1 3.25Å; H116-R119 PolarHBondContact CD2-NH2 3.03Å; H116-R119 VanDerWaalsContact CD2-NH2 3.33Å; H116-R119 WeakPolarHBondContact O-CB 3.29Å; H116-R119 PolarHBondContact O-N 3.39Å; H116-A120 PolarHBondContact O-N 2.96Å; H116-A120 VanDerWaalsContact O-N 3.08Å; H116-E158 IonicContact CD2-OE1 3.7Å
117M98Very high95.4Very high1 Ų136.2 Ų36.21%0.00520%0.204CC..Hα-helixtrans-62-45.5173.8-73179.46300112.1I35 N38 V39 Y42 L113 Q114 R119 A120 A121I35-M117 HydrophobicContact CB-CE 4.35Å; I35-M117 HydrophobicContact CD1-CB 3.74Å; I35-M117 HydrophobicContact CD1-CE 3.86Å; I35-M117 HydrophobicContact CD1-CG 4.49Å; I35-M117 HydrophobicContact CD1-SD 4.01Å; I35-M117 HydrophobicContact CG2-CE 4.04Å; I35-M117 HydrophobicContact CG2-SD 4.09Å; N38-M117 HydrophobicContact CB-CE 4.14Å; V39-M117 HydrophobicContact CB-CE 3.85Å; V39-M117 HydrophobicContact CB-SD 4.12Å; V39-M117 HydrophobicContact CG2-SD 4.25Å; Y42-M117 HydrophobicContact CD1-CG 3.54Å; Y42-M117 HydrophobicContact CD1-SD 4.27Å; Y42-M117 HydrophobicContact CD2-CG 3.88Å; Y42-M117 HydrophobicContact CE1-CG 3.76Å; Y42-M117 HydrophobicContact CE2-CG 4.1Å; Y42-M117 HydrophobicContact CG-CG 3.61Å; Y42-M117 HydrophobicContact CG-SD 4.42Å; L113-M117 HydrophobicContact CD1-CG 4.15Å; L113-M117 HydrophobicContact CD1-SD 4.2Å; L113-M117 HydrophobicContact CD2-SD 4.34Å; L113-M117 HydrophobicContact CG-CG 4.34Å; L113-M117 HydrophobicContact CG-SD 3.92Å; L113-M117 WeakPolarHBondContact O-CG 3.49Å; L113-M117 PolarHBondContact O-N 3.35Å; Q114-M117 PolarHBondContact O-N 2.99Å; M117-R119 VanDerWaalsContact C-N 3.34Å; M117-A120 PolarHBondContact O-N 3.34Å; M117-A121 PolarHBondContact O-N 3.16Å
118W97.9Very high95.7Very high15 Ų1541.6 Ų41.66%0.05723%0.226CC..Hα-helixtrans-64-40175.4-71.6-34.9000111.6L31 F32 I35 Q114 G115 A120 A121 F122 A159 L162L31-W118 HydrophobicContact CD1-CD2 4.23Å; L31-W118 HydrophobicContact CD1-CG 4.22Å; L31-W118 HydrophobicContact CD1-CZ2 4.4Å; L31-W118 HydrophobicContact CD2-CZ2 4.32Å; L31-W118 HydrophobicContact CG-CZ2 3.87Å; L31-W118 PolarHBondContact O-NE1 2.86Å; F32-W118 HydrophobicContact CD1-CH2 4.33Å; F32-W118 HydrophobicContact CD1-CZ2 4.07Å; F32-W118 AromaticContact CE1-CH2 3.83Å; F32-W118 HydrophobicContact CE1-CH2 3.83Å; F32-W118 HydrophobicContact CE1-CZ2 4.04Å; F32-W118 HydrophobicContact CZ-CH2 4.21Å; I35-W118 HydrophobicContact CD1-CD2 4.27Å; I35-W118 HydrophobicContact CD1-CG 4.3Å; I35-W118 HydrophobicContact CD1-CZ2 4.25Å; I35-W118 HydrophobicContact CG1-CZ2 3.93Å; Q114-W118 HydrophobicContact CB-CD2 4.43Å; Q114-W118 HydrophobicContact CB-CE3 4.03Å; Q114-W118 HydrophobicContact CB-CH2 3.78Å; Q114-W118 HydrophobicContact CB-CZ2 4.2Å; Q114-W118 HydrophobicContact CB-CZ3 3.68Å; Q114-W118 HydrophobicContact CG-CH2 4.38Å; Q114-W118 WeakPolarHBondContact O-CB 3.41Å; Q114-W118 VanDerWaalsContact O-CE3 3.27Å; Q114-W118 VanDerWaalsContact O-CG 3.27Å; Q114-W118 PolarHBondContact O-N 3.11Å; G115-W118 PolarHBondContact O-N 2.92Å; W118-A120 VanDerWaalsContact C-N 3.29Å; W118-A120 PolarHBondContact O-N 3.16Å; W118-A121 WeakPolarHBondContact O-CB 3.47Å; W118-A121 PolarHBondContact O-N 2.9Å; W118-A121 VanDerWaalsContact O-N 3.08Å; W118-F122 HydrophobicContact CB-CD2 4.05Å; W118-F122 HydrophobicContact CB-CE2 4.04Å; W118-F122 HydrophobicContact CG-CE2 4.41Å; W118-F122 WeakPolarHBondContact O-CB 3.4Å; W118-F122 WeakPolarHBondContact O-CD2 3.49Å; W118-F122 PolarHBondContact O-N 3.01Å; W118-A159 HydrophobicContact CE3-CB 3.97Å; W118-A159 HydrophobicContact CZ3-CB 4.04Å; W118-L162 HydrophobicContact CB-CD1 4.03Å
119R97.1Very high96Very high70 Ų7036.9 Ų36.926%0.26420%0.197SC..Hα-helixtrans-56.4-45.8176.1-177171.262.5-142.72.8111.2E51 G115 H116 M117 T123 E158 L162E51-R119 IonicContact OE1-CZ 3.78Å; E51-R119 IonicContact OE1-NH1 3.44Å; E51-R119 IonicContact OE1-NH2 3.36Å; E51-R119 PolarHBondContact OE1-NH2 3.49Å; E51-R119 IonicContact OE2-CZ 3.66Å; E51-R119 IonicContact OE2-NH2 3.84Å; E51-R119 PolarHBondContact OE2-NH2 2.81Å; G115-R119 WeakPolarHBondContact O-CB 3.22Å; G115-R119 PolarHBondContact O-N 3.39Å; H116-R119 PolarHBondContact CD2-NH1 2.77Å; H116-R119 VanDerWaalsContact CD2-NH1 3.25Å; H116-R119 PolarHBondContact CD2-NH2 3.03Å; H116-R119 VanDerWaalsContact CD2-NH2 3.33Å; H116-R119 WeakPolarHBondContact O-CB 3.29Å; H116-R119 PolarHBondContact O-N 3.39Å; M117-R119 VanDerWaalsContact C-N 3.34Å; R119-T123 WeakPolarHBondContact O-CB 3.38Å; R119-T123 PolarHBondContact O-N 3.41Å; R119-T123 PolarHBondContact O-OG1 3.21Å; R119-E158 IonicContact CZ-OE1 4Å; R119-E158 IonicContact NH1-OE1 3.85Å; R119-E158 PolarHBondContact NH1-OE1 3.46Å; R119-L162 HydrophobicContact CB-CD1 3.87Å; R119-L162 HydrophobicContact CB-CD2 4.1Å; R119-L162 HydrophobicContact CG-CD2 4.08Å
120A96.2Very high96.1Very high29 Ų2940.5 Ų40.524%0.2421%0.213CC..Hα-helixtrans-61.8-44175.300000111.9Y42 H116 M117 W118 A124Y42-A120 HydrophobicContact CE2-CB 4.13Å; H116-A120 PolarHBondContact O-N 2.96Å; H116-A120 VanDerWaalsContact O-N 3.08Å; M117-A120 PolarHBondContact O-N 3.34Å; W118-A120 VanDerWaalsContact C-N 3.29Å; W118-A120 PolarHBondContact O-N 3.16Å; A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.05Å
121A96.9Very high96.2Very high0 Ų040.9 Ų40.90%021%0.214CC..Hα-helixtrans-63.6-49.6-178.600000113.4Y34 M117 W118 G125 R126 M127Y34-A121 HydrophobicContact CD1-CB 4.4Å; Y34-A121 HydrophobicContact CE1-CB 3.56Å; Y34-A121 HydrophobicContact CE2-CB 4.05Å; Y34-A121 VanDerWaalsContact OH-CB 3.24Å; Y34-A121 WeakPolarHBondContact OH-CB 3.38Å; M117-A121 PolarHBondContact O-N 3.16Å; W118-A121 WeakPolarHBondContact O-CB 3.47Å; W118-A121 PolarHBondContact O-N 2.9Å; W118-A121 VanDerWaalsContact O-N 3.08Å; A121-G125 PolarHBondContact O-N 3.04Å; A121-R126 WeakPolarHBondContact O-CB 3.4Å; A121-R126 PolarHBondContact O-N 2.9Å; A121-M127 HydrophobicContact CB-CE 3.36Å; A121-M127 HydrophobicContact CB-CG 4.37Å
122F96.4Very high96.5Very high3 Ų340.2 Ų40.21%0.01321%0.212CC..Hα-helixtrans-68.5-44.6-179.7-77.1-63.6000111.7F26 L31 W118 A124 G125 M127 A129 L162 L163 H166F26-F122 HydrophobicContact CZ-CZ 4.46Å; L31-F122 HydrophobicContact CD1-CE2 4Å; L31-F122 HydrophobicContact CD1-CZ 3.89Å; W118-F122 HydrophobicContact CB-CD2 4.05Å; W118-F122 HydrophobicContact CB-CE2 4.04Å; W118-F122 HydrophobicContact CG-CE2 4.41Å; W118-F122 WeakPolarHBondContact O-CB 3.4Å; W118-F122 WeakPolarHBondContact O-CD2 3.49Å; W118-F122 PolarHBondContact O-N 3.01Å; F122-A124 VanDerWaalsContact C-N 3.31Å; F122-A124 PolarHBondContact O-N 3.01Å; F122-G125 PolarHBondContact O-N 3.39Å; F122-M127 HydrophobicContact CD1-CB 4.02Å; F122-M127 WeakPolarHBondContact CD1-O 3.43Å; F122-M127 HydrophobicContact CE1-CB 3.81Å; F122-M127 HydrophobicContact CE2-CE 4.3Å; F122-M127 HydrophobicContact CZ-CB 4.34Å; F122-M127 HydrophobicContact CZ-CE 4.38Å; F122-A129 HydrophobicContact CE1-CB 4.29Å; F122-L162 HydrophobicContact CD2-CB 3.76Å; F122-L162 HydrophobicContact CD2-CD1 4.37Å; F122-L162 HydrophobicContact CE2-CB 4.25Å; F122-L162 HydrophobicContact CG-CB 4.38Å; F122-L163 HydrophobicContact CE1-CD2 4.49Å; F122-L163 HydrophobicContact CE2-CD2 4.16Å; F122-L163 HydrophobicContact CZ-CD2 3.66Å; F122-H166 HydrophobicContact CB-CB 3.9Å; F122-H166 HydrophobicContact CD1-CB 3.61Å; F122-H166 HydrophobicContact CG-CB 4.07Å; F122-H166 PolarHBondContact O-ND1 2.78Å
123T94.5Very high96.7Very high98 Ų9841.1 Ų41.160%0.60123%0.229SC*.Hα-helixtrans-62.7-38.4178.2-550000111.9R119 G125R119-T123 WeakPolarHBondContact O-CB 3.38Å; R119-T123 PolarHBondContact O-N 3.41Å; R119-T123 PolarHBondContact O-OG1 3.21Å; T123-G125 PolarHBondContact O-N 3.17Å
124A95.7Very high96.8Very high61 Ų6142.6 Ų42.650%0.50424%0.237SC..THydrogen-bonded Turntrans-77-1.4175.900000113.6A120 F122 R126A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.05Å; F122-A124 VanDerWaalsContact C-N 3.31Å; F122-A124 PolarHBondContact O-N 3.01Å; A124-R126 HydrophobicContact CB-CG 4.01Å; A124-R126 PolarHBondContact O-N 3.1Å
125G94.4Very high96.9Very high53 Ų5342.4 Ų42.455%0.54624%0.237SC..THydrogen-bonded Turntrans68.419-178.700000114.4A121 F122 T123 M127A121-G125 PolarHBondContact O-N 3.04Å; F122-G125 PolarHBondContact O-N 3.39Å; T123-G125 PolarHBondContact O-N 3.17Å; G125-M127 VanDerWaalsContact C-N 3.33Å
126R95.3Very high97Very high159 Ų15942.5 Ų42.560%0.624%0.237SC*.SBendtrans-75.6-26177.8-59.6179.1-166.5166.52112.1A121 A124A121-R126 WeakPolarHBondContact O-CB 3.4Å; A121-R126 PolarHBondContact O-N 2.9Å; A124-R126 HydrophobicContact CB-CG 4.01Å; A124-R126 PolarHBondContact O-N 3.1Å
127M94.9Very high97.1Very high15 Ų1545 Ų457%0.07425%0.254CS..  trans-130.9151175.6-67.2-162.1-69.500110.5I30 L31 Y34 A121 F122 G125I30-M127 HydrophobicContact CG2-SD 4.46Å; L31-M127 HydrophobicContact CD1-CE 4.45Å; Y34-M127 HydrophobicContact CD1-CE 3.58Å; Y34-M127 HydrophobicContact CD1-SD 4.26Å; Y34-M127 HydrophobicContact CD2-CE 3.88Å; Y34-M127 HydrophobicContact CD2-CG 4.15Å; Y34-M127 HydrophobicContact CD2-SD 3.59Å; Y34-M127 VanDerWaalsContact CD2-SD 3.59Å; Y34-M127 HydrophobicContact CE1-CE 3.94Å; Y34-M127 HydrophobicContact CE2-CE 4.2Å; Y34-M127 HydrophobicContact CE2-CG 4.34Å; Y34-M127 HydrophobicContact CE2-SD 4.24Å; Y34-M127 HydrophobicContact CG-CE 3.57Å; Y34-M127 HydrophobicContact CG-SD 3.61Å; A121-M127 HydrophobicContact CB-CE 3.36Å; A121-M127 HydrophobicContact CB-CG 4.37Å; F122-M127 HydrophobicContact CD1-CB 4.02Å; F122-M127 WeakPolarHBondContact CD1-O 3.43Å; F122-M127 HydrophobicContact CE1-CB 3.81Å; F122-M127 HydrophobicContact CE2-CE 4.3Å; F122-M127 HydrophobicContact CZ-CB 4.34Å; F122-M127 HydrophobicContact CZ-CE 4.38Å; G125-M127 VanDerWaalsContact C-N 3.33Å
128K96.8Very high97.1Very high130 Ų13045.3 Ų45.357%0.56526%0.257SS*.  trans-130.5137.8166.7-70.7-170175.3-170.10109F26 E130 H166 T168F26-K128 VanDerWaalsContact CE2-O 3.22Å; F26-K128 WeakPolarHBondContact CE2-O 3.46Å; K128-E130 PolarHBondContact O-N 3.49Å; K128-H166 CarbonylContact C-O 3.57Å; K128-H166 VanDerWaalsContact CA-O 3.22Å; K128-H166 WeakPolarHBondContact CA-O 3.21Å; K128-T168 HydrophobicContact CB-CG2 4.35Å
129A97.4Very high97.2Very high0 Ų044.9 Ų44.90%026%0.256CS..BIsolated β-bridgetrans-73.7124.817800000110.2F26 F122 F131 L163 H166 S167 T168F26-A129 HydrophobicContact CE1-CB 4.41Å; F26-A129 HydrophobicContact CZ-CB 4.26Å; F122-A129 HydrophobicContact CE1-CB 4.29Å; A129-F131 HydrophobicContact CB-CD2 4.36Å; A129-F131 HydrophobicContact CB-CE2 3.89Å; A129-L163 HydrophobicContact CB-CB 3.87Å; A129-L163 HydrophobicContact CB-CD2 3.62Å; A129-L163 HydrophobicContact CB-CG 4.36Å; A129-L163 WeakPolarHBondContact CB-O 3.48Å; A129-H166 PolarHBondContact N-O 3.4Å; A129-S167 CarbonylContact O-C 3.5Å; A129-S167 VanDerWaalsContact O-CA 3.29Å; A129-S167 WeakPolarHBondContact O-CA 3.41Å; A129-T168 PolarHBondContact O-N 3.07Å; A129-T168 PolarHBondContact O-OG1 3.06Å
130E98.1Very high97.2Very high82 Ų8246.8 Ų46.838%0.38326%0.263SS..  trans-78.9128.5178.6-171.7174.9173.500110.5T22 P23 F26 K128T22-E130 VanDerWaalsContact CG2-O 3.26Å; T22-E130 WeakPolarHBondContact CG2-O 3.38Å; T22-E130 PolarHBondContact OG1-O 2.96Å; P23-E130 HydrophobicContact CG-CG 4Å; F26-E130 HydrophobicContact CB-CB 4.05Å; F26-E130 HydrophobicContact CD2-CB 3.8Å; F26-E130 HydrophobicContact CG-CB 3.93Å; K128-E130 PolarHBondContact O-N 3.49Å
131F98.4Very high97.3Very high10 Ų1052.2 Ų52.24%0.04428%0.281CS..  trans-120.4145.2171.7-79-102.8000109.8T21 A129 A133 V135 F164 T168 I172T21-F131 WeakPolarHBondContact O-CA 3.28Å; A129-F131 HydrophobicContact CB-CD2 4.36Å; A129-F131 HydrophobicContact CB-CE2 3.89Å; F131-A133 PolarHBondContact O-N 3.13Å; F131-V135 HydrophobicContact CD1-CG1 4.13Å; F131-F164 HydrophobicContact CE1-CD1 4.36Å; F131-F164 AromaticContact CE1-CE1 3.83Å; F131-F164 HydrophobicContact CE1-CE1 3.83Å; F131-F164 HydrophobicContact CE1-CE2 4.09Å; F131-F164 AromaticContact CE1-CZ 3.67Å; F131-F164 HydrophobicContact CE1-CZ 3.67Å; F131-F164 HydrophobicContact CZ-CD1 4.11Å; F131-F164 AromaticContact CZ-CD2 3.88Å; F131-F164 HydrophobicContact CZ-CD2 3.88Å; F131-F164 AromaticContact CZ-CE1 3.98Å; F131-F164 HydrophobicContact CZ-CE1 3.98Å; F131-F164 AromaticContact CZ-CE2 3.76Å; F131-F164 HydrophobicContact CZ-CE2 3.76Å; F131-F164 HydrophobicContact CZ-CG 4.06Å; F131-F164 AromaticContact CZ-CZ 3.8Å; F131-F164 HydrophobicContact CZ-CZ 3.8Å; F131-T168 PolarHBondContact N-OG1 2.75Å; F131-I172 HydrophobicContact CD1-CD1 4.37Å; F131-I172 HydrophobicContact CD2-CD1 4.4Å; F131-I172 HydrophobicContact CE1-CD1 4.19Å; F131-I172 HydrophobicContact CE2-CD1 4.21Å; F131-I172 HydrophobicContact CG-CD1 4.47Å; F131-I172 HydrophobicContact CZ-CD1 4.11Å
132F98.5Very high97.4Very high35 Ų3552.6 Ų52.615%0.15428%0.283CS..  trans-62.4138.4169.9-65.6-74.8000110.2T21 P23 D134 V135 R232T21-F132 WeakPolarHBondContact O-CD2 3.39Å; T21-F132 PolarHBondContact O-N 2.74Å; P23-F132 HydrophobicContact CB-CE1 4.33Å; P23-F132 HydrophobicContact CB-CE2 4.45Å; P23-F132 HydrophobicContact CB-CZ 3.85Å; P23-F132 HydrophobicContact CG-CD1 4.35Å; P23-F132 HydrophobicContact CG-CE1 3.79Å; P23-F132 HydrophobicContact CG-CE2 4.08Å; P23-F132 HydrophobicContact CG-CZ 3.63Å; F132-D134 WeakPolarHBondContact CB-OD1 3.44Å; F132-D134 PolarHBondContact O-N 2.91Å; F132-V135 HydrophobicContact CB-CG2 4Å; F132-V135 WeakPolarHBondContact O-CB 3.29Å; F132-V135 WeakPolarHBondContact O-CG2 3.41Å; F132-V135 PolarHBondContact O-N 3.34Å; F132-R232 HydrophobicContact CD2-CG 4.11Å; F132-R232 HydrophobicContact CE1-CB 4.35Å; F132-R232 HydrophobicContact CE2-CB 3.88Å; F132-R232 HydrophobicContact CE2-CG 3.52Å; F132-R232 HydrophobicContact CZ-CB 3.59Å; F132-R232 HydrophobicContact CZ-CG 3.75Å
133A98.3Very high97.4Very high78 Ų7855.9 Ų55.965%0.64530%0.295SS*.THydrogen-bonded Turntrans-62-20.8-170.600000114.5F131 P137F131-A133 PolarHBondContact O-N 3.13Å; A133-P137 VanDerWaalsContact O-CD 3.26Å; A133-P137 WeakPolarHBondContact O-CD 3.27Å; A133-P137 WeakPolarHBondContact O-CG 2.99Å
134D98.4Very high97.6Very high33 Ų3359 Ų5918%0.17630%0.303CS..THydrogen-bonded Turntrans-81.2-16.2177.159.5-78.6000114.1F132 A138 R232 S251 F252F132-D134 WeakPolarHBondContact CB-OD1 3.44Å; F132-D134 PolarHBondContact O-N 2.91Å; D134-A138 VanDerWaalsContact O-CB 3.26Å; D134-A138 WeakPolarHBondContact O-CB 3.32Å; D134-A138 PolarHBondContact O-N 3.1Å; D134-R232 IonicContact OD1-CZ 2.89Å; D134-R232 IonicContact OD1-NH1 3.44Å; D134-R232 PolarHBondContact OD1-NH1 2.9Å; D134-R232 IonicContact OD1-NH2 3.73Å; D134-R232 PolarHBondContact OD1-NH2 3.45Å; D134-R232 IonicContact OD2-CZ 3.47Å; D134-R232 IonicContact OD2-NH1 2.74Å; D134-R232 PolarHBondContact OD2-NH1 3.14Å; D134-R232 IonicContact OD2-NH2 3.27Å; D134-R232 PolarHBondContact OD2-NH2 2.95Å; D134-S251 VanDerWaalsContact CB-OG 3.24Å; D134-S251 WeakPolarHBondContact CB-OG 3.43Å; D134-S251 PolarHBondContact OD2-OG 3.36Å; D134-F252 WeakPolarHBondContact OD2-CB 3.43Å; D134-F252 PolarHBondContact OD2-N 3.17Å
135V98.7Very high97.6Very high4 Ų458.1 Ų58.12%0.02430%0.296CS..Hα-helixtrans-67-60.9-172175.30000111.4T21 F131 F132 A138 V139 F252T21-V135 HydrophobicContact CG2-CG1 3.88Å; T21-V135 HydrophobicContact CG2-CG2 4.28Å; F131-V135 HydrophobicContact CD1-CG1 4.13Å; F132-V135 HydrophobicContact CB-CG2 4Å; F132-V135 WeakPolarHBondContact O-CB 3.29Å; F132-V135 WeakPolarHBondContact O-CG2 3.41Å; F132-V135 PolarHBondContact O-N 3.34Å; V135-A138 PolarHBondContact O-N 2.9Å; V135-V139 HydrophobicContact CG1-CG2 4.15Å; V135-V139 WeakPolarHBondContact O-CB 3.32Å; V135-V139 VanDerWaalsContact O-CG2 3.29Å; V135-V139 WeakPolarHBondContact O-CG2 3.27Å; V135-V139 PolarHBondContact O-N 3.06Å; V135-F252 HydrophobicContact CB-CD2 4.27Å; V135-F252 HydrophobicContact CB-CE2 4.43Å; V135-F252 HydrophobicContact CG1-CD2 4.15Å; V135-F252 HydrophobicContact CG1-CE2 3.97Å; V135-F252 HydrophobicContact CG2-CD2 4.11Å; V135-F252 HydrophobicContact CG2-CE2 4.1Å
136V98.6Very high97.7Very high3 Ų358.5 Ų58.52%0.01830%0.3CS..Hα-helixtrans-60-45.6-174.7169.80000112.4A138 V139 R140 E169 I172 L175V136-A138 VanDerWaalsContact C-N 3.35Å; V136-A138 PolarHBondContact O-N 2.95Å; V136-V139 PolarHBondContact O-N 3.49Å; V136-R140 WeakPolarHBondContact O-CG 3.35Å; V136-R140 PolarHBondContact O-N 3.1Å; V136-E169 HydrophobicContact CB-CG 4.38Å; V136-E169 HydrophobicContact CG2-CB 4.02Å; V136-E169 HydrophobicContact CG2-CG 3.87Å; V136-I172 HydrophobicContact CG1-CG2 4.44Å; V136-I172 HydrophobicContact CG2-CD1 3.78Å; V136-I172 HydrophobicContact CG2-CG2 4.06Å; V136-L175 HydrophobicContact CG1-CD1 3.98Å; V136-L175 HydrophobicContact CG2-CD1 4.47Å
137P98.5Very high97.8Very high65 Ų6551.8 Ų51.842%0.42228%0.276SS..Hα-helixtrans-61.4-38.7176-2434.7000113.7A133 K141A133-P137 VanDerWaalsContact O-CD 3.26Å; A133-P137 WeakPolarHBondContact O-CD 3.27Å; A133-P137 WeakPolarHBondContact O-CG 2.99Å; P137-K141 WeakPolarHBondContact O-CG 3.49Å; P137-K141 PolarHBondContact O-N 3.2Å
138A98.4Very high98Very high8 Ų854.5 Ų54.57%0.06629%0.287CS..Hα-helixtrans-70.3-47.217900000111.5D134 V135 V136 R140 K141 W142 F252D134-A138 VanDerWaalsContact O-CB 3.26Å; D134-A138 WeakPolarHBondContact O-CB 3.32Å; D134-A138 PolarHBondContact O-N 3.1Å; V135-A138 PolarHBondContact O-N 2.9Å; V136-A138 VanDerWaalsContact C-N 3.35Å; V136-A138 PolarHBondContact O-N 2.95Å; A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.24Å; A138-K141 WeakPolarHBondContact O-CB 3.36Å; A138-K141 PolarHBondContact O-N 3.06Å; A138-K141 VanDerWaalsContact O-N 3.12Å; A138-W142 HydrophobicContact CB-CH2 4.37Å; A138-W142 HydrophobicContact CB-CZ2 3.89Å; A138-W142 PolarHBondContact O-N 3.45Å; A138-F252 HydrophobicContact CB-CB 3.46Å; A138-F252 VanDerWaalsContact CB-CB 3.46Å; A138-F252 HydrophobicContact CB-CD2 4.49Å
139V98.6Very high98.1Very high7 Ų748.4 Ų48.44%0.04226%0.261CS..Hα-helixtrans-59-43178.7172.90000111.3L15 V135 V136 K141 W142 R143 V149 L175 F252L15-V139 HydrophobicContact CD1-CG2 4.16Å; V135-V139 HydrophobicContact CG1-CG2 4.15Å; V135-V139 WeakPolarHBondContact O-CB 3.32Å; V135-V139 VanDerWaalsContact O-CG2 3.29Å; V135-V139 WeakPolarHBondContact O-CG2 3.27Å; V135-V139 PolarHBondContact O-N 3.06Å; V136-V139 PolarHBondContact O-N 3.49Å; V139-K141 PolarHBondContact O-N 3.45Å; V139-W142 HydrophobicContact CB-CE3 4.38Å; V139-W142 HydrophobicContact CG2-CE3 3.92Å; V139-W142 HydrophobicContact CG2-CZ3 3.81Å; V139-W142 PolarHBondContact O-N 3.22Å; V139-R143 WeakPolarHBondContact O-CG 3.42Å; V139-R143 PolarHBondContact O-N 3.33Å; V139-V149 HydrophobicContact CG1-CG1 4.23Å; V139-V149 HydrophobicContact CG1-CG2 4.2Å; V139-L175 HydrophobicContact CG1-CB 3.79Å; V139-L175 HydrophobicContact CG1-CD1 4.21Å; V139-L175 HydrophobicContact CG1-CG 4.47Å; V139-F252 HydrophobicContact CG2-CD2 4.46Å
140R98.5Very high98.2Very high110 Ų11049.9 Ų49.942%0.41527%0.266SS..Hα-helixtrans-56.7-48.5174.3-77.4176.81761503.4112V136 A138 W142 R143 E144 L175V136-R140 WeakPolarHBondContact O-CG 3.35Å; V136-R140 PolarHBondContact O-N 3.1Å; A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.24Å; R140-W142 VanDerWaalsContact C-N 3.3Å; R140-W142 PolarHBondContact O-N 2.7Å; R140-R143 PolarHBondContact O-N 3.24Å; R140-E144 WeakPolarHBondContact O-CG 3.43Å; R140-E144 PolarHBondContact O-N 3.49Å; R140-L175 HydrophobicContact CG-CD1 4.11Å; R140-L175 HydrophobicContact CG-CD2 3.7Å
141K97.9Very high98.2Very high142 Ų14246 Ų4662%0.61725%0.248SC*.Hα-helixtrans-61.9-37.9177.1-73178.4178.7-179.90112.5P137 A138 V139 E144 A145P137-K141 WeakPolarHBondContact O-CG 3.49Å; P137-K141 PolarHBondContact O-N 3.2Å; A138-K141 WeakPolarHBondContact O-CB 3.36Å; A138-K141 PolarHBondContact O-N 3.06Å; A138-K141 VanDerWaalsContact O-N 3.12Å; V139-K141 PolarHBondContact O-N 3.45Å; K141-E144 PolarHBondContact O-N 2.63Å; K141-A145 WeakPolarHBondContact O-CB 3.34Å; K141-A145 PolarHBondContact O-N 3.44Å
142W98.1Very high98.2Very high8 Ų845.5 Ų45.53%0.0325%0.246CC..Hα-helixtrans-65.1-42.4177.7-58-23000111.8I13 L15 A138 V139 R140 A145 G146 M147 L210 F252 L255 L257I13-W142 HydrophobicContact CB-CE3 4.41Å; I13-W142 HydrophobicContact CG1-CE3 4.16Å; I13-W142 HydrophobicContact CG2-CE3 4.15Å; I13-W142 HydrophobicContact CG2-CH2 4.5Å; I13-W142 HydrophobicContact CG2-CZ3 3.84Å; L15-W142 HydrophobicContact CD2-CZ3 4.21Å; A138-W142 HydrophobicContact CB-CH2 4.37Å; A138-W142 HydrophobicContact CB-CZ2 3.89Å; A138-W142 PolarHBondContact O-N 3.45Å; V139-W142 HydrophobicContact CB-CE3 4.38Å; V139-W142 HydrophobicContact CG2-CE3 3.92Å; V139-W142 HydrophobicContact CG2-CZ3 3.81Å; V139-W142 PolarHBondContact O-N 3.22Å; R140-W142 VanDerWaalsContact C-N 3.3Å; R140-W142 PolarHBondContact O-N 2.7Å; W142-A145 CarbonylContact O-C 3.13Å; W142-A145 WeakPolarHBondContact O-CB 3.21Å; W142-A145 PolarHBondContact O-N 3.25Å; W142-G146 PolarHBondContact O-N 2.92Å; W142-M147 HydrophobicContact CB-CB 4.1Å; W142-M147 HydrophobicContact CB-CG 4.28Å; W142-M147 VanDerWaalsContact O-CB 3.31Å; W142-M147 WeakPolarHBondContact O-CB 3.49Å; W142-M147 PolarHBondContact O-N 3.36Å; W142-L210 HydrophobicContact CH2-CD1 3.92Å; W142-F252 HydrophobicContact CH2-CB 3.79Å; W142-F252 HydrophobicContact CH2-CD1 4.44Å; W142-F252 AromaticContact CH2-CD2 3.3Å; W142-F252 HydrophobicContact CH2-CD2 3.3Å; W142-F252 AromaticContact CH2-CE2 3.89Å; W142-F252 HydrophobicContact CH2-CE2 3.89Å; W142-F252 AromaticContact CH2-CG 3.62Å; W142-F252 HydrophobicContact CH2-CG 3.62Å; W142-F252 HydrophobicContact CZ2-CB 3.85Å; W142-F252 HydrophobicContact CZ2-CD2 4.21Å; W142-F252 HydrophobicContact CZ2-CG 4.2Å; W142-F252 AromaticContact CZ3-CD2 3.8Å; W142-F252 HydrophobicContact CZ3-CD2 3.8Å; W142-F252 HydrophobicContact CZ3-CE2 4.09Å; W142-L255 HydrophobicContact CH2-CD2 4.06Å; W142-L255 HydrophobicContact CZ2-CB 3.88Å; W142-L255 HydrophobicContact CZ2-CD2 3.49Å; W142-L255 VanDerWaalsContact CZ2-CD2 3.49Å; W142-L255 HydrophobicContact CZ2-CG 4.3Å; W142-L257 HydrophobicContact CB-CD1 3.98Å; W142-L257 HydrophobicContact CG-CD1 4.03Å
143R97.8Very high98.1Very high72 Ų7244.4 Ų44.427%0.27224%0.243SC..Hα-helixtrans-64.7-41.7174.8-65.4-178.476.9657.9112.3V139 R140 A145 G146 V149 E174 L175 D177V139-R143 WeakPolarHBondContact O-CG 3.42Å; V139-R143 PolarHBondContact O-N 3.33Å; R140-R143 PolarHBondContact O-N 3.24Å; R143-A145 PolarHBondContact O-N 2.74Å; R143-G146 WeakPolarHBondContact O-CA 3.35Å; R143-G146 PolarHBondContact O-N 3.39Å; R143-V149 HydrophobicContact CG-CG2 4.08Å; R143-E174 PolarHBondContact NE-O 3.4Å; R143-L175 WeakPolarHBondContact CD-O 3.48Å; R143-L175 PolarHBondContact NH1-O 3.4Å; R143-D177 IonicContact CZ-OD1 3.34Å; R143-D177 IonicContact CZ-OD2 2.72Å; R143-D177 IonicContact NH1-OD1 2.84Å; R143-D177 PolarHBondContact NH1-OD1 2.92Å; R143-D177 VanDerWaalsContact NH1-OD1 3.13Å; R143-D177 IonicContact NH1-OD2 2.73Å; R143-D177 PolarHBondContact NH1-OD2 3.41Å; R143-D177 IonicContact NH2-OD1 3.44Å; R143-D177 PolarHBondContact NH2-OD1 3.19Å; R143-D177 IonicContact NH2-OD2 3.56Å
144E97.3Very high97.8Very high163 Ų16342.8 Ų42.876%0.76223%0.227SC*.Hα-helixtrans-59.3-33.3173.4-74.2173.5-172.300112.2R140 K141 G146R140-E144 WeakPolarHBondContact O-CG 3.43Å; R140-E144 PolarHBondContact O-N 3.49Å; K141-E144 PolarHBondContact O-N 2.63Å; E144-G146 PolarHBondContact O-N 3.08Å
145A96.1Very high97.4Very high43 Ų4342.5 Ų42.536%0.35523%0.231SC..THydrogen-bonded Turntrans-80.43173.600000114K141 W142 R143 L257K141-A145 WeakPolarHBondContact O-CB 3.34Å; K141-A145 PolarHBondContact O-N 3.44Å; W142-A145 CarbonylContact O-C 3.13Å; W142-A145 WeakPolarHBondContact O-CB 3.21Å; W142-A145 PolarHBondContact O-N 3.25Å; R143-A145 PolarHBondContact O-N 2.74Å; A145-L257 HydrophobicContact CB-CD1 3.57Å
146G96.9Very high97.1Very high62 Ų6243.4 Ų43.464%0.63924%0.238SC*.THydrogen-bonded Turntrans89.57.8175.900000115.5W142 R143 E144W142-G146 PolarHBondContact O-N 2.92Å; R143-G146 WeakPolarHBondContact O-CA 3.35Å; R143-G146 PolarHBondContact O-N 3.39Å; E144-G146 PolarHBondContact O-N 3.08Å
147M98.1Very high97Very high18 Ų1845.1 Ų45.19%0.08925%0.249CC..  trans-72.5139.6175.7-63-62.4178.600111.2V10 I13 W142 L257V10-M147 VanDerWaalsContact O-CE 3.32Å; V10-M147 WeakPolarHBondContact O-CE 3.37Å; I13-M147 HydrophobicContact CG1-CB 4.34Å; I13-M147 HydrophobicContact CG1-CG 4.48Å; W142-M147 HydrophobicContact CB-CB 4.1Å; W142-M147 HydrophobicContact CB-CG 4.28Å; W142-M147 VanDerWaalsContact O-CB 3.31Å; W142-M147 WeakPolarHBondContact O-CB 3.49Å; W142-M147 PolarHBondContact O-N 3.36Å; M147-L257 HydrophobicContact CE-CB 4.37Å; M147-L257 HydrophobicContact CE-CD1 4.11Å; M147-L257 HydrophobicContact CE-CD2 3.84Å; M147-L257 HydrophobicContact CE-CG 4.32Å; M147-L257 HydrophobicContact CG-CD1 3.63Å; M147-L257 HydrophobicContact CG-CD2 4.3Å
148K98.7Very high96.8Very high72 Ų7245.7 Ų45.731%0.31325%0.245SC..EExtended strand (participates in β ladder)trans-83.9146.6163.3-61.4-171.4-66177.50110.2T11 V12 I13 Y150 D177 I200T11-K148 PolarHBondContact O-N 3.24Å; V12-K148 CarbonylContact C-O 3.51Å; V12-K148 WeakPolarHBondContact CA-O 3.08Å; V12-K148 HydrophobicContact CG2-CB 4.38Å; I13-K148 PolarHBondContact N-O 3.34Å; K148-Y150 HydrophobicContact CB-CD2 4.3Å; K148-Y150 HydrophobicContact CB-CE2 3.77Å; K148-Y150 HydrophobicContact CD-CE2 4.23Å; K148-D177 WeakPolarHBondContact CA-OD2 3.4Å; K148-D177 WeakPolarHBondContact CB-OD2 3.32Å; K148-I200 VanDerWaalsContact NZ-CG2 3.34Å; K148-I200 PolarHBondContact NZ-O 3Å
149V98.9Very high96.6Very high1 Ų145.7 Ų45.71%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-127.1121.7-176.9-177.90000109.6I13 L15 V139 R143 D177I13-V149 WeakPolarHBondContact O-CA 3.16Å; L15-V149 HydrophobicContact CD1-CG1 3.75Å; L15-V149 HydrophobicContact CG-CG1 4.33Å; V139-V149 HydrophobicContact CG1-CG1 4.23Å; V139-V149 HydrophobicContact CG1-CG2 4.2Å; R143-V149 HydrophobicContact CG-CG2 4.08Å; V149-D177 PolarHBondContact N-OD2 3.48Å; V149-D177 PolarHBondContact O-N 2.74Å
150Y98.9Very high96.6Very high31 Ų3145.4 Ų45.412%0.12224%0.244CC..EExtended strand (participates in β ladder)trans-124.6154.2179-71.6-98000110.6V12 I13 L14 L15 K148 D177 G178 F180 I200V12-Y150 HydrophobicContact CG1-CD2 3.84Å; V12-Y150 HydrophobicContact CG1-CE2 4.38Å; I13-Y150 PolarHBondContact O-N 3.01Å; L14-Y150 CarbonylContact C-O 3.47Å; L14-Y150 WeakPolarHBondContact CA-O 3.39Å; L15-Y150 PolarHBondContact N-O 2.86Å; K148-Y150 HydrophobicContact CB-CD2 4.3Å; K148-Y150 HydrophobicContact CB-CE2 3.77Å; K148-Y150 HydrophobicContact CD-CE2 4.23Å; Y150-D177 HydrophobicContact CD2-CB 4.46Å; Y150-D177 HydrophobicContact CE1-CB 4.22Å; Y150-D177 HydrophobicContact CE2-CB 3.96Å; Y150-G178 WeakPolarHBondContact CA-O 3.36Å; Y150-G178 VanDerWaalsContact CD1-CA 3.42Å; Y150-F180 HydrophobicContact CD1-CD2 4.43Å; Y150-F180 AromaticContact CD1-CE2 3.56Å; Y150-F180 HydrophobicContact CD1-CE2 3.56Å; Y150-F180 HydrophobicContact CD1-CZ 4.21Å; Y150-F180 HydrophobicContact CE1-CE2 4.34Å; Y150-F180 HydrophobicContact CG-CE2 4.09Å; Y150-I200 HydrophobicContact CD1-CD1 4.17Å; Y150-I200 HydrophobicContact CD1-CG1 4.07Å; Y150-I200 HydrophobicContact CD2-CD1 3.75Å; Y150-I200 HydrophobicContact CD2-CG1 4.18Å; Y150-I200 HydrophobicContact CD2-CG2 4.49Å; Y150-I200 HydrophobicContact CE1-CD1 4.46Å; Y150-I200 HydrophobicContact CE1-CG1 3.94Å; Y150-I200 HydrophobicContact CE2-CD1 4.03Å; Y150-I200 HydrophobicContact CE2-CG1 4Å; Y150-I200 HydrophobicContact CE2-CG2 3.77Å; Y150-I200 HydrophobicContact CG-CD1 3.82Å; Y150-I200 HydrophobicContact CG-CG1 4.2Å
151I98.9Very high96.5Very high0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans-109.4138.3177.9-52.9-55.7000110L15 I17 Q160 F164 V176 G178 H179 F180L15-I151 HydrophobicContact CB-CD1 3.85Å; L15-I151 HydrophobicContact CD1-CD1 4.14Å; L15-I151 HydrophobicContact CG-CD1 4.46Å; L15-I151 CarbonylContact O-C 3.55Å; L15-I151 WeakPolarHBondContact O-CA 3.33Å; I17-I151 HydrophobicContact CD1-CG2 3.66Å; I17-I151 HydrophobicContact CG1-CG2 3.57Å; I151-Q160 VanDerWaalsContact CG2-OE1 3.3Å; I151-F164 HydrophobicContact CD1-CE1 3.94Å; I151-F164 HydrophobicContact CD1-CE2 4.14Å; I151-F164 HydrophobicContact CD1-CZ 3.4Å; I151-F164 VanDerWaalsContact CD1-CZ 3.4Å; I151-F164 HydrophobicContact CG1-CE1 4.34Å; I151-F164 HydrophobicContact CG1-CE2 4.04Å; I151-F164 HydrophobicContact CG1-CZ 3.76Å; I151-F164 HydrophobicContact CG2-CE2 4.42Å; I151-V176 HydrophobicContact CD1-CG2 4.11Å; I151-V176 HydrophobicContact CG1-CG1 3.73Å; I151-V176 HydrophobicContact CG1-CG2 3.95Å; I151-G178 PolarHBondContact N-O 2.89Å; I151-H179 CarbonylContact O-C 3.57Å; I151-F180 PolarHBondContact O-N 3.35Å
152Y98.8Very high96.5Very high0 Ų039.4 Ų39.40%022%0.222CC..EExtended strand (participates in β ladder)trans-132.5109.3169.7-175.9-150.3000111L14 L15 F180 I184 G185 R186 K187 S192 Y193 I196L14-Y152 HydrophobicContact CD2-CD1 4.44Å; L15-Y152 PolarHBondContact O-N 3.38Å; Y152-F180 HydrophobicContact CD2-CB 3.64Å; Y152-F180 HydrophobicContact CE2-CB 4.33Å; Y152-F180 HydrophobicContact CG-CB 4.25Å; Y152-I184 HydrophobicContact CD2-CG2 4.43Å; Y152-I184 HydrophobicContact CE2-CG2 3.65Å; Y152-G185 PolarHBondContact OH-O 3.35Å; Y152-R186 PolarHBondContact OH-O 2.87Å; Y152-K187 HydrophobicContact CD1-CG 4.27Å; Y152-K187 HydrophobicContact CE1-CB 4.12Å; Y152-K187 HydrophobicContact CE1-CG 3.74Å; Y152-K187 HydrophobicContact CE2-CG 4.03Å; Y152-K187 VanDerWaalsContact O-CE 3.31Å; Y152-K187 WeakPolarHBondContact O-CE 3.49Å; Y152-K187 WeakPolarHBondContact OH-CA 3.25Å; Y152-K187 PolarHBondContact OH-N 3.36Å; Y152-S192 VanDerWaalsContact OH-CB 3.29Å; Y152-S192 WeakPolarHBondContact OH-CB 3.38Å; Y152-Y193 HydrophobicContact CD1-CE1 4.02Å; Y152-Y193 HydrophobicContact CE1-CE1 4.03Å; Y152-I196 HydrophobicContact CD1-CD1 3.47Å; Y152-I196 VanDerWaalsContact CD1-CD1 3.47Å; Y152-I196 HydrophobicContact CD2-CD1 4.04Å; Y152-I196 HydrophobicContact CE1-CD1 3.64Å; Y152-I196 HydrophobicContact CE2-CD1 4.19Å; Y152-I196 HydrophobicContact CG-CD1 3.69Å
153S96.7Very high96.5Very high13 Ų1339.6 Ų39.69%0.09122%0.223CC..  trans-137.5161.1-177.9-178.70000111.6G155 F180 D181S153-G155 VanDerWaalsContact C-N 3.29Å; S153-G155 PolarHBondContact OG-N 3.25Å; S153-F180 PolarHBondContact N-O 2.97Å; S153-D181 VanDerWaalsContact O-CA 3.31Å; S153-D181 WeakPolarHBondContact O-CA 3.31Å
154S91.6Very high96.5Very high44 Ų4436.6 Ų36.631%0.30821%0.212SC..SBendtrans-73.3-22.6174.171.10000113.1
155G90.3Very high96.6Very high26 Ų2629.2 Ų29.227%0.26818%0.18SC..SBendtrans-64.6146.8172.200000111.6S153 Q160 D181S153-G155 VanDerWaalsContact C-N 3.29Å; S153-G155 PolarHBondContact OG-N 3.25Å; G155-Q160 PolarHBondContact O-NE2 2.87Å; G155-D181 VanDerWaalsContact O-CB 3.25Å; G155-D181 WeakPolarHBondContact O-CB 3.36Å
156S92.3Very high96.7Very high24 Ų2430.2 Ų30.217%0.16818%0.177CC..  trans-59.5149.118067.50000111.3E158 A159 Q160 D181S156-E158 PolarHBondContact O-N 2.9Å; S156-E158 VanDerWaalsContact O-N 3.1Å; S156-A159 PolarHBondContact O-N 3.38Å; S156-A159 WeakPolarHBondContact OG-CB 3.49Å; S156-A159 PolarHBondContact OG-N 2.89Å; S156-Q160 WeakPolarHBondContact O-CG 3.2Å; S156-Q160 PolarHBondContact O-N 2.83Å; S156-D181 WeakPolarHBondContact CA-OD2 3.25Å
157V95.9Very high96.7Very high39 Ų3927.4 Ų27.424%0.23615%0.148CC..Hα-helixtrans-52.9-34.7175.8167.70000112.2Q160 K161 H179 D181V157-Q160 PolarHBondContact O-N 3.41Å; V157-K161 HydrophobicContact CG1-CD 4.36Å; V157-K161 WeakPolarHBondContact O-CG 3.22Å; V157-K161 PolarHBondContact O-N 3.21Å; V157-H179 HydrophobicContact CB-CB 4.28Å; V157-H179 HydrophobicContact CG1-CB 3.73Å; V157-H179 HydrophobicContact CG2-CB 3.87Å; V157-D181 HydrophobicContact CG2-CB 4.05Å; V157-D181 PolarHBondContact N-OD2 3.42Å
158E94.1Very high96.6Very high76 Ų7629.6 Ų29.636%0.35516%0.162SC..Hα-helixtrans-62.6-49.3174.7-176.3175.2170.700112.1H116 R119 S156 Q160 K161 L162H116-E158 IonicContact CD2-OE1 3.7Å; R119-E158 IonicContact CZ-OE1 4Å; R119-E158 IonicContact NH1-OE1 3.85Å; R119-E158 PolarHBondContact NH1-OE1 3.46Å; S156-E158 PolarHBondContact O-N 2.9Å; S156-E158 VanDerWaalsContact O-N 3.1Å; E158-Q160 VanDerWaalsContact C-N 3.32Å; E158-Q160 PolarHBondContact O-N 3.05Å; E158-K161 PolarHBondContact O-N 3.41Å; E158-L162 WeakPolarHBondContact O-CG 3.09Å; E158-L162 PolarHBondContact O-N 2.9Å; E158-L162 VanDerWaalsContact O-N 3.1Å
159A94Very high96.4Very high9 Ų930.8 Ų30.87%0.07417%0.169CC..Hα-helixtrans-62.1-40.4176.800000111.7W118 S156 K161 L162 L163W118-A159 HydrophobicContact CE3-CB 3.97Å; W118-A159 HydrophobicContact CZ3-CB 4.04Å; S156-A159 PolarHBondContact O-N 3.38Å; S156-A159 WeakPolarHBondContact OG-CB 3.49Å; S156-A159 PolarHBondContact OG-N 2.89Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.17Å; A159-L162 WeakPolarHBondContact O-CB 3.45Å; A159-L162 PolarHBondContact O-N 3.5Å; A159-L163 WeakPolarHBondContact O-CG 3.35Å; A159-L163 PolarHBondContact O-N 2.97Å
160Q97.8Very high96.3Very high1 Ų132.4 Ų32.41%0.00519%0.185CC..Hα-helixtrans-58.6-44.6175.1-61.3178.127.700111.3I17 I151 G155 S156 V157 E158 L162 L163 F164 H179 F180I17-Q160 HydrophobicContact CD1-CB 4.22Å; I17-Q160 HydrophobicContact CD1-CG 3.7Å; I151-Q160 VanDerWaalsContact CG2-OE1 3.3Å; G155-Q160 PolarHBondContact O-NE2 2.87Å; S156-Q160 WeakPolarHBondContact O-CG 3.2Å; S156-Q160 PolarHBondContact O-N 2.83Å; V157-Q160 PolarHBondContact O-N 3.41Å; E158-Q160 VanDerWaalsContact C-N 3.32Å; E158-Q160 PolarHBondContact O-N 3.05Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.18Å; Q160-L163 WeakPolarHBondContact O-CB 3.24Å; Q160-L163 PolarHBondContact O-N 2.93Å; Q160-F164 WeakPolarHBondContact O-CD2 3.26Å; Q160-F164 PolarHBondContact O-N 2.92Å; Q160-F164 VanDerWaalsContact O-N 3.1Å; Q160-H179 PolarHBondContact OE1-ND1 3.36Å; Q160-F180 PolarHBondContact NE2-O 3.25Å
161K98.1Very high96.3Very high108 Ų10835.8 Ų35.847%0.4721%0.206SC..Hα-helixtrans-63.4-36.3177.9-74.1176.7177-1760112.6V157 E158 A159 F164 G165 L173V157-K161 HydrophobicContact CG1-CD 4.36Å; V157-K161 WeakPolarHBondContact O-CG 3.22Å; V157-K161 PolarHBondContact O-N 3.21Å; E158-K161 PolarHBondContact O-N 3.41Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.17Å; K161-F164 PolarHBondContact O-N 3.14Å; K161-G165 PolarHBondContact O-N 3.04Å; K161-L173 HydrophobicContact CB-CD2 4.06Å; K161-L173 HydrophobicContact CG-CD2 4.07Å
162L97.8Very high96.3Very high18 Ų1836 Ų369%0.09421%0.207CC..Hα-helixtrans-62.8-42.5173.8-66.3170.6000111.8W118 R119 F122 E158 A159 Q160 G165 H166W118-L162 HydrophobicContact CB-CD1 4.03Å; R119-L162 HydrophobicContact CB-CD1 3.87Å; R119-L162 HydrophobicContact CB-CD2 4.1Å; R119-L162 HydrophobicContact CG-CD2 4.08Å; F122-L162 HydrophobicContact CD2-CB 3.76Å; F122-L162 HydrophobicContact CD2-CD1 4.37Å; F122-L162 HydrophobicContact CE2-CB 4.25Å; F122-L162 HydrophobicContact CG-CB 4.38Å; E158-L162 WeakPolarHBondContact O-CG 3.09Å; E158-L162 PolarHBondContact O-N 2.9Å; E158-L162 VanDerWaalsContact O-N 3.1Å; A159-L162 WeakPolarHBondContact O-CB 3.45Å; A159-L162 PolarHBondContact O-N 3.5Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.18Å; L162-G165 PolarHBondContact O-N 2.87Å; L162-H166 WeakPolarHBondContact O-CB 3.34Å; L162-H166 PolarHBondContact O-CD2 3.1Å; L162-H166 PolarHBondContact O-N 2.85Å
163L97.7Very high96.2Very high11 Ų1138.7 Ų38.76%0.05822%0.221CC..Hα-helixtrans-60.4-48.8177.8-64.4176000111.5I17 F26 L31 F122 A129 A159 Q160 S167I17-L163 HydrophobicContact CD1-CD1 4.31Å; I17-L163 HydrophobicContact CG2-CD1 4.16Å; F26-L163 HydrophobicContact CE1-CD2 3.92Å; F26-L163 HydrophobicContact CZ-CD2 4.33Å; L31-L163 HydrophobicContact CD1-CD2 4.29Å; L31-L163 HydrophobicContact CD2-CD2 4.32Å; F122-L163 HydrophobicContact CE1-CD2 4.49Å; F122-L163 HydrophobicContact CE2-CD2 4.16Å; F122-L163 HydrophobicContact CZ-CD2 3.66Å; A129-L163 HydrophobicContact CB-CB 3.87Å; A129-L163 HydrophobicContact CB-CD2 3.62Å; A129-L163 HydrophobicContact CB-CG 4.36Å; A129-L163 WeakPolarHBondContact CB-O 3.48Å; A159-L163 WeakPolarHBondContact O-CG 3.35Å; A159-L163 PolarHBondContact O-N 2.97Å; Q160-L163 WeakPolarHBondContact O-CB 3.24Å; Q160-L163 PolarHBondContact O-N 2.93Å; L163-S167 PolarHBondContact O-N 2.98Å
164F98.3Very high96.3Very high9 Ų945 Ų454%0.03925%0.249CC..Hα-helixtrans-73.2-30.5-179.1-78.4-104.7000112.9I17 F131 I151 Q160 K161 I172 L173 V176I17-F164 HydrophobicContact CD1-CE2 4.21Å; I17-F164 HydrophobicContact CG1-CE2 4.39Å; F131-F164 HydrophobicContact CE1-CD1 4.36Å; F131-F164 AromaticContact CE1-CE1 3.83Å; F131-F164 HydrophobicContact CE1-CE1 3.83Å; F131-F164 HydrophobicContact CE1-CE2 4.09Å; F131-F164 AromaticContact CE1-CZ 3.67Å; F131-F164 HydrophobicContact CE1-CZ 3.67Å; F131-F164 HydrophobicContact CZ-CD1 4.11Å; F131-F164 AromaticContact CZ-CD2 3.88Å; F131-F164 HydrophobicContact CZ-CD2 3.88Å; F131-F164 AromaticContact CZ-CE1 3.98Å; F131-F164 HydrophobicContact CZ-CE1 3.98Å; F131-F164 AromaticContact CZ-CE2 3.76Å; F131-F164 HydrophobicContact CZ-CE2 3.76Å; F131-F164 HydrophobicContact CZ-CG 4.06Å; F131-F164 AromaticContact CZ-CZ 3.8Å; F131-F164 HydrophobicContact CZ-CZ 3.8Å; I151-F164 HydrophobicContact CD1-CE1 3.94Å; I151-F164 HydrophobicContact CD1-CE2 4.14Å; I151-F164 HydrophobicContact CD1-CZ 3.4Å; I151-F164 VanDerWaalsContact CD1-CZ 3.4Å; I151-F164 HydrophobicContact CG1-CE1 4.34Å; I151-F164 HydrophobicContact CG1-CE2 4.04Å; I151-F164 HydrophobicContact CG1-CZ 3.76Å; I151-F164 HydrophobicContact CG2-CE2 4.42Å; Q160-F164 WeakPolarHBondContact O-CD2 3.26Å; Q160-F164 PolarHBondContact O-N 2.92Å; Q160-F164 VanDerWaalsContact O-N 3.1Å; K161-F164 PolarHBondContact O-N 3.14Å; F164-I172 HydrophobicContact CB-CG1 4.23Å; F164-I172 HydrophobicContact CD1-CD1 3.9Å; F164-I172 HydrophobicContact CD1-CG1 3.99Å; F164-I172 HydrophobicContact CE1-CD1 4.39Å; F164-I172 HydrophobicContact CG-CG1 4.48Å; F164-I172 WeakPolarHBondContact O-CG1 3.48Å; F164-I172 PolarHBondContact O-N 3.24Å; F164-L173 HydrophobicContact CB-CD2 3.8Å; F164-L173 HydrophobicContact CB-CG 4.19Å; F164-V176 HydrophobicContact CD1-CG2 3.57Å; F164-V176 HydrophobicContact CE1-CG2 3.58Å; F164-V176 HydrophobicContact CG-CG2 4.37Å; F164-V176 HydrophobicContact CZ-CG2 4.37Å
165G98.2Very high96.6Very high9 Ų943.4 Ų43.49%0.09324%0.237CC..Hα-helixtrans-76.2-21.8178.100000114.1K161 L162 D171K161-G165 PolarHBondContact O-N 3.04Å; L162-G165 PolarHBondContact O-N 2.87Å; G165-D171 WeakPolarHBondContact O-CA 3.13Å
166H98.1Very high97Very high64 Ų6443 Ų4330%0.29623%0.229SC..THydrogen-bonded Turntrans-13045.1-174.8-59.1-91000111.8F122 K128 A129 L162F122-H166 HydrophobicContact CB-CB 3.9Å; F122-H166 HydrophobicContact CD1-CB 3.61Å; F122-H166 HydrophobicContact CG-CB 4.07Å; F122-H166 PolarHBondContact O-ND1 2.78Å; K128-H166 CarbonylContact C-O 3.57Å; K128-H166 VanDerWaalsContact CA-O 3.22Å; K128-H166 WeakPolarHBondContact CA-O 3.21Å; A129-H166 PolarHBondContact N-O 3.4Å; L162-H166 WeakPolarHBondContact O-CB 3.34Å; L162-H166 PolarHBondContact O-CD2 3.1Å; L162-H166 PolarHBondContact O-N 2.85Å
167S97.7Very high97.4Very high2 Ų245 Ų451%0.01424%0.238CC..BIsolated β-bridgetrans-78.3168.3-178.681.90000113.1A129 L163 E169 G170A129-S167 CarbonylContact O-C 3.5Å; A129-S167 VanDerWaalsContact O-CA 3.29Å; A129-S167 WeakPolarHBondContact O-CA 3.41Å; L163-S167 PolarHBondContact O-N 2.98Å; S167-E169 PolarHBondContact O-N 3.2Å; S167-E169 PolarHBondContact OG-N 2.88Å; S167-G170 WeakPolarHBondContact CB-O 3.38Å; S167-G170 PolarHBondContact N-O 3.25Å; S167-G170 VanDerWaalsContact N-O 3.1Å; S167-G170 PolarHBondContact O-N 2.88Å; S167-G170 VanDerWaalsContact O-N 3.08Å; S167-G170 PolarHBondContact OG-N 3.45Å; S167-G170 PolarHBondContact OG-O 3.01Å
168T95.3Very high97.5Very high65 Ų6543.9 Ų43.940%0.39924%0.235SC..THydrogen-bonded Turntrans-58.7-23.3167.346.70000112.9K128 A129 F131K128-T168 HydrophobicContact CB-CG2 4.35Å; A129-T168 PolarHBondContact O-N 3.07Å; A129-T168 PolarHBondContact O-OG1 3.06Å; F131-T168 PolarHBondContact N-OG1 2.75Å
169E95.6Very high97.7Very high97 Ų9741.7 Ų41.745%0.45323%0.225SC..THydrogen-bonded Turntrans-94.26.5177.9-60-63.6139.500113V136 S167 I172V136-E169 HydrophobicContact CB-CG 4.38Å; V136-E169 HydrophobicContact CG2-CB 4.02Å; V136-E169 HydrophobicContact CG2-CG 3.87Å; S167-E169 PolarHBondContact O-N 3.2Å; S167-E169 PolarHBondContact OG-N 2.88Å; E169-I172 HydrophobicContact CB-CG2 4.25Å
170G96.7Very high97.9Very high34 Ų3442 Ų4235%0.35122%0.224SC..BIsolated β-bridgetrans91.8-156.7-173.900000112.9S167 I172S167-G170 WeakPolarHBondContact CB-O 3.38Å; S167-G170 PolarHBondContact N-O 3.25Å; S167-G170 VanDerWaalsContact N-O 3.1Å; S167-G170 PolarHBondContact O-N 2.88Å; S167-G170 VanDerWaalsContact O-N 3.08Å; S167-G170 PolarHBondContact OG-N 3.45Å; S167-G170 PolarHBondContact OG-O 3.01Å; G170-I172 PolarHBondContact O-N 2.89Å
171D98.3Very high97.8Very high103 Ų10342.4 Ų42.455%0.55123%0.226SC*.  trans-78.7116.9173.4-172.5-13.4000109.4G165 L173G165-D171 WeakPolarHBondContact O-CA 3.13Å; D171-L173 VanDerWaalsContact OD1-CB 3.31Å; D171-L173 WeakPolarHBondContact OD1-CB 3.37Å; D171-L173 WeakPolarHBondContact OD1-CG 3.26Å; D171-L173 PolarHBondContact OD1-N 3.47Å
172I98.5Very high97.5Very high4 Ų439.8 Ų39.82%0.02122%0.22CC..  trans-120.517.9179.658167.8000112F131 V136 F164 E169 G170 E174 L175F131-I172 HydrophobicContact CD1-CD1 4.37Å; F131-I172 HydrophobicContact CD2-CD1 4.4Å; F131-I172 HydrophobicContact CE1-CD1 4.19Å; F131-I172 HydrophobicContact CE2-CD1 4.21Å; F131-I172 HydrophobicContact CG-CD1 4.47Å; F131-I172 HydrophobicContact CZ-CD1 4.11Å; V136-I172 HydrophobicContact CG1-CG2 4.44Å; V136-I172 HydrophobicContact CG2-CD1 3.78Å; V136-I172 HydrophobicContact CG2-CG2 4.06Å; F164-I172 HydrophobicContact CB-CG1 4.23Å; F164-I172 HydrophobicContact CD1-CD1 3.9Å; F164-I172 HydrophobicContact CD1-CG1 3.99Å; F164-I172 HydrophobicContact CE1-CD1 4.39Å; F164-I172 HydrophobicContact CG-CG1 4.48Å; F164-I172 WeakPolarHBondContact O-CG1 3.48Å; F164-I172 PolarHBondContact O-N 3.24Å; E169-I172 HydrophobicContact CB-CG2 4.25Å; G170-I172 PolarHBondContact O-N 2.89Å; I172-E174 PolarHBondContact O-N 3.43Å; I172-L175 HydrophobicContact CB-CD1 3.99Å; I172-L175 HydrophobicContact CB-CG 4.3Å; I172-L175 HydrophobicContact CG2-CD1 4.21Å; I172-L175 WeakPolarHBondContact O-CB 3.42Å; I172-L175 PolarHBondContact O-N 3.18Å
173L98.1Very high97.4Very high56 Ų5647.9 Ų47.929%0.29325%0.254SS..G310 helixtrans-57.7-33.9177.6-79.7167.5000112.8K161 F164 D171 L175 V176K161-L173 HydrophobicContact CB-CD2 4.06Å; K161-L173 HydrophobicContact CG-CD2 4.07Å; F164-L173 HydrophobicContact CB-CD2 3.8Å; F164-L173 HydrophobicContact CB-CG 4.19Å; D171-L173 VanDerWaalsContact OD1-CB 3.31Å; D171-L173 WeakPolarHBondContact OD1-CB 3.37Å; D171-L173 WeakPolarHBondContact OD1-CG 3.26Å; D171-L173 PolarHBondContact OD1-N 3.47Å; L173-L175 PolarHBondContact O-N 3.05Å; L173-L175 VanDerWaalsContact O-N 3.1Å; L173-V176 PolarHBondContact O-N 3.1Å; L173-V176 VanDerWaalsContact O-N 3.07Å
174E98.2Very high97.3Very high146 Ų14649.2 Ų49.268%0.68226%0.261SS*.G310 helixtrans-62.5-16.1178.164.5172.9-153.900114.1R143 I172 V176R143-E174 PolarHBondContact NE-O 3.4Å; I172-E174 PolarHBondContact O-N 3.43Å; E174-V176 VanDerWaalsContact C-N 3.27Å
175L98.6Very high97.2Very high11 Ų1149.4 Ų49.46%0.05827%0.265CS..G310 helixtrans-81-9.2177.7-58.7-173.4000113V136 V139 R140 R143 I172 L173V136-L175 HydrophobicContact CG1-CD1 3.98Å; V136-L175 HydrophobicContact CG2-CD1 4.47Å; V139-L175 HydrophobicContact CG1-CB 3.79Å; V139-L175 HydrophobicContact CG1-CD1 4.21Å; V139-L175 HydrophobicContact CG1-CG 4.47Å; R140-L175 HydrophobicContact CG-CD1 4.11Å; R140-L175 HydrophobicContact CG-CD2 3.7Å; R143-L175 WeakPolarHBondContact CD-O 3.48Å; R143-L175 PolarHBondContact NH1-O 3.4Å; I172-L175 HydrophobicContact CB-CD1 3.99Å; I172-L175 HydrophobicContact CB-CG 4.3Å; I172-L175 HydrophobicContact CG2-CD1 4.21Å; I172-L175 WeakPolarHBondContact O-CB 3.42Å; I172-L175 PolarHBondContact O-N 3.18Å; L173-L175 PolarHBondContact O-N 3.05Å; L173-L175 VanDerWaalsContact O-N 3.1Å
176V98.7Very high97.1Very high18 Ų1857 Ų5711%0.10929%0.291CS..  trans-115.6127.8-175178.50000110I151 F164 L173 E174 G178I151-V176 HydrophobicContact CD1-CG2 4.11Å; I151-V176 HydrophobicContact CG1-CG1 3.73Å; I151-V176 HydrophobicContact CG1-CG2 3.95Å; F164-V176 HydrophobicContact CD1-CG2 3.57Å; F164-V176 HydrophobicContact CE1-CG2 3.58Å; F164-V176 HydrophobicContact CG-CG2 4.37Å; F164-V176 HydrophobicContact CZ-CG2 4.37Å; L173-V176 PolarHBondContact O-N 3.1Å; L173-V176 VanDerWaalsContact O-N 3.07Å; E174-V176 VanDerWaalsContact C-N 3.27Å; V176-G178 WeakPolarHBondContact CG1-O 3.16Å
177D98.8Very high97.1Very high64 Ų6454.9 Ų54.934%0.34228%0.281SS..SBendtrans-87-18.2177.8-57.5-63000112.8R143 K148 V149 Y150R143-D177 IonicContact CZ-OD1 3.34Å; R143-D177 IonicContact CZ-OD2 2.72Å; R143-D177 IonicContact NH1-OD1 2.84Å; R143-D177 PolarHBondContact NH1-OD1 2.92Å; R143-D177 VanDerWaalsContact NH1-OD1 3.13Å; R143-D177 IonicContact NH1-OD2 2.73Å; R143-D177 PolarHBondContact NH1-OD2 3.41Å; R143-D177 IonicContact NH2-OD1 3.44Å; R143-D177 PolarHBondContact NH2-OD1 3.19Å; R143-D177 IonicContact NH2-OD2 3.56Å; K148-D177 WeakPolarHBondContact CA-OD2 3.4Å; K148-D177 WeakPolarHBondContact CB-OD2 3.32Å; V149-D177 PolarHBondContact N-OD2 3.48Å; V149-D177 PolarHBondContact O-N 2.74Å; Y150-D177 HydrophobicContact CD2-CB 4.46Å; Y150-D177 HydrophobicContact CE1-CB 4.22Å; Y150-D177 HydrophobicContact CE2-CB 3.96Å
178G98.6Very high97.1Very high17 Ų1758.8 Ų58.818%0.17531%0.305CS..EExtended strand (participates in β ladder)trans-178.8169.2174.500000114.3Y150 I151 V176Y150-G178 WeakPolarHBondContact CA-O 3.36Å; Y150-G178 VanDerWaalsContact CD1-CA 3.42Å; I151-G178 PolarHBondContact N-O 2.89Å; V176-G178 WeakPolarHBondContact CG1-O 3.16Å
179H98.8Very high97.2Very high30 Ų3059.8 Ų59.814%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-131.5141.7-175-65.7-97.9000110.5I151 V157 Q160I151-H179 CarbonylContact O-C 3.57Å; V157-H179 HydrophobicContact CB-CB 4.28Å; V157-H179 HydrophobicContact CG1-CB 3.73Å; V157-H179 HydrophobicContact CG2-CB 3.87Å; Q160-H179 PolarHBondContact OE1-ND1 3.36Å
180F98.6Very high97.4Very high16 Ų1656.2 Ų56.27%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-124.8139.4174-62.1-76.1000109.7L14 Y150 I151 Y152 S153 Q160 I184 I196 S199 I200L14-F180 HydrophobicContact CD1-CD2 4.3Å; Y150-F180 HydrophobicContact CD1-CD2 4.43Å; Y150-F180 AromaticContact CD1-CE2 3.56Å; Y150-F180 HydrophobicContact CD1-CE2 3.56Å; Y150-F180 HydrophobicContact CD1-CZ 4.21Å; Y150-F180 HydrophobicContact CE1-CE2 4.34Å; Y150-F180 HydrophobicContact CG-CE2 4.09Å; I151-F180 PolarHBondContact O-N 3.35Å; Y152-F180 HydrophobicContact CD2-CB 3.64Å; Y152-F180 HydrophobicContact CE2-CB 4.33Å; Y152-F180 HydrophobicContact CG-CB 4.25Å; S153-F180 PolarHBondContact N-O 2.97Å; Q160-F180 PolarHBondContact NE2-O 3.25Å; F180-I184 HydrophobicContact CB-CG2 4.31Å; F180-I184 HydrophobicContact CD1-CB 4.37Å; F180-I184 HydrophobicContact CD1-CD1 4.31Å; F180-I184 HydrophobicContact CD1-CG1 4.18Å; F180-I184 HydrophobicContact CE1-CD1 4.47Å; F180-I196 HydrophobicContact CB-CD1 4.34Å; F180-I196 HydrophobicContact CB-CG1 4.36Å; F180-I196 HydrophobicContact CD1-CG1 4.03Å; F180-I196 HydrophobicContact CD2-CD1 4.46Å; F180-I196 HydrophobicContact CD2-CG1 4.13Å; F180-I196 HydrophobicContact CD2-CG2 4.02Å; F180-I196 HydrophobicContact CE1-CG1 4.37Å; F180-I196 HydrophobicContact CE2-CG1 4.46Å; F180-I196 HydrophobicContact CE2-CG2 3.75Å; F180-I196 HydrophobicContact CG-CD1 4.31Å; F180-I196 HydrophobicContact CG-CG1 3.9Å; F180-I196 HydrophobicContact CZ-CG2 4.13Å; F180-S199 WeakPolarHBondContact CE1-OG 3.12Å; F180-I200 HydrophobicContact CE2-CD1 3.92Å; F180-I200 HydrophobicContact CE2-CG1 3.87Å; F180-I200 HydrophobicContact CZ-CD1 4.28Å; F180-I200 HydrophobicContact CZ-CG1 3.75Å
181D96.1Very high97.5Very high9 Ų958.7 Ų58.75%0.04829%0.293CS..  trans-126.3-173.4171.471.223000111.1S153 G155 S156 V157 K183 I184S153-D181 VanDerWaalsContact O-CA 3.31Å; S153-D181 WeakPolarHBondContact O-CA 3.31Å; G155-D181 VanDerWaalsContact O-CB 3.25Å; G155-D181 WeakPolarHBondContact O-CB 3.36Å; S156-D181 WeakPolarHBondContact CA-OD2 3.25Å; V157-D181 HydrophobicContact CG2-CB 4.05Å; V157-D181 PolarHBondContact N-OD2 3.42Å; D181-K183 PolarHBondContact O-N 3.41Å; D181-K183 WeakPolarHBondContact OD1-CB 3.33Å; D181-K183 WeakPolarHBondContact OD1-CG 3.39Å; D181-K183 PolarHBondContact OD1-N 3.06Å; D181-I184 WeakPolarHBondContact O-CG2 3.48Å; D181-I184 PolarHBondContact O-N 3.08Å
182T91.8Very high97.5Very high53 Ų5353.9 Ų53.933%0.32527%0.267SS..THydrogen-bonded Turntrans-54.7-12.317956.70000115.7I184 G185T182-I184 VanDerWaalsContact C-N 3.29Å; T182-I184 PolarHBondContact O-N 3.03Å; T182-G185 WeakPolarHBondContact CA-O 3.47Å; T182-G185 PolarHBondContact O-N 3.46Å
183K93.8Very high97.5Very high188 Ų18853.8 Ų53.882%0.81727%0.266SS*.THydrogen-bonded Turntrans-66.5-28.9173.8-66.9172.6-179.7176.80112.7D181 G185D181-K183 PolarHBondContact O-N 3.41Å; D181-K183 WeakPolarHBondContact OD1-CB 3.33Å; D181-K183 WeakPolarHBondContact OD1-CG 3.39Å; D181-K183 PolarHBondContact OD1-N 3.06Å; K183-G185 VanDerWaalsContact C-N 3.3Å
184I96.8Very high97.5Very high39 Ų3955.2 Ų55.220%0.227%0.268CS..THydrogen-bonded Turntrans-73.9-27.4175.2-154.469.8000111.4Y152 F180 D181 T182 K195 I196Y152-I184 HydrophobicContact CD2-CG2 4.43Å; Y152-I184 HydrophobicContact CE2-CG2 3.65Å; F180-I184 HydrophobicContact CB-CG2 4.31Å; F180-I184 HydrophobicContact CD1-CB 4.37Å; F180-I184 HydrophobicContact CD1-CD1 4.31Å; F180-I184 HydrophobicContact CD1-CG1 4.18Å; F180-I184 HydrophobicContact CE1-CD1 4.47Å; D181-I184 WeakPolarHBondContact O-CG2 3.48Å; D181-I184 PolarHBondContact O-N 3.08Å; T182-I184 VanDerWaalsContact C-N 3.29Å; T182-I184 PolarHBondContact O-N 3.03Å; I184-K195 HydrophobicContact CD1-CB 4.07Å; I184-K195 HydrophobicContact CG1-CB 3.84Å; I184-K195 VanDerWaalsContact O-CD 3.26Å; I184-K195 WeakPolarHBondContact O-CD 3.26Å; I184-I196 HydrophobicContact CG1-CG1 4.02Å; I184-I196 HydrophobicContact CG2-CD1 4.15Å; I184-I196 HydrophobicContact CG2-CG1 3.99Å
185G96.1Very high97.6Very high13 Ų1352.5 Ų52.513%0.13425%0.254CS..  trans146.4174.1-177.300000111.1Y152 T182 K183 S192Y152-G185 PolarHBondContact OH-O 3.35Å; T182-G185 WeakPolarHBondContact CA-O 3.47Å; T182-G185 PolarHBondContact O-N 3.46Å; K183-G185 VanDerWaalsContact C-N 3.3Å; G185-S192 WeakPolarHBondContact CA-OG 3.5Å
186R95.4Very high97.6Very high169 Ų16952 Ų5264%0.63825%0.251SS*.  trans-79.6147.4178.1-60178.3171.9178.1-2.4110.9Y152 V188 E189 S192Y152-R186 PolarHBondContact OH-O 2.87Å; R186-V188 PolarHBondContact O-N 2.81Å; R186-V188 VanDerWaalsContact O-N 3.12Å; R186-E189 HydrophobicContact CB-CG 4.04Å; R186-E189 WeakPolarHBondContact CB-OE2 3.48Å; R186-E189 PolarHBondContact N-OE2 3.01Å; R186-E189 VanDerWaalsContact N-OE2 3.12Å; R186-E189 WeakPolarHBondContact O-CB 3.24Å; R186-E189 PolarHBondContact O-N 3.29Å; R186-S192 PolarHBondContact N-OG 3.47Å; R186-S192 VanDerWaalsContact N-OG 3.15Å; R186-S192 WeakPolarHBondContact O-CB 3.46Å; R186-S192 PolarHBondContact O-OG 3.37Å
187K97.8Very high97.6Very high19 Ų1951.2 Ų51.28%0.08325%0.247CC..THydrogen-bonded Turntrans-65.6-16.1-176.5-57.1-174.570.7-153.70114.5D16 Y152 Y193 E216D16-K187 IonicContact OD1-NZ 2.81Å; D16-K187 PolarHBondContact OD1-NZ 3.07Å; D16-K187 IonicContact OD2-NZ 3.36Å; D16-K187 PolarHBondContact OD2-NZ 3.42Å; Y152-K187 HydrophobicContact CD1-CG 4.27Å; Y152-K187 HydrophobicContact CE1-CB 4.12Å; Y152-K187 HydrophobicContact CE1-CG 3.74Å; Y152-K187 HydrophobicContact CE2-CG 4.03Å; Y152-K187 VanDerWaalsContact O-CE 3.31Å; Y152-K187 WeakPolarHBondContact O-CE 3.49Å; Y152-K187 WeakPolarHBondContact OH-CA 3.25Å; Y152-K187 PolarHBondContact OH-N 3.36Å; K187-Y193 VanDerWaalsContact O-CE2 3.32Å; K187-Y193 WeakPolarHBondContact O-CE2 3.37Å; K187-Y193 PolarHBondContact O-OH 3.37Å; K187-E216 HydrophobicContact CB-CG 3.89Å; K187-E216 WeakPolarHBondContact CB-OE1 3.26Å; K187-E216 VanDerWaalsContact CD-OE1 3.28Å; K187-E216 WeakPolarHBondContact CD-OE1 3.21Å; K187-E216 WeakPolarHBondContact CE-OE1 3.41Å; K187-E216 WeakPolarHBondContact CE-OE2 3.35Å; K187-E216 IonicContact NZ-OE1 3.16Å; K187-E216 PolarHBondContact NZ-OE1 3Å; K187-E216 IonicContact NZ-OE2 3.38Å; K187-E216 PolarHBondContact NZ-OE2 2.85Å
188V97.9Very high97.6Very high84 Ų8454.1 Ų54.151%0.50926%0.262SS..THydrogen-bonded Turntrans-99.312.3177.8-61.40000112.8R186 R215 E216R186-V188 PolarHBondContact O-N 2.81Å; R186-V188 VanDerWaalsContact O-N 3.12Å; V188-R215 HydrophobicContact CG1-CB 4.03Å; V188-E216 HydrophobicContact CG1-CG 4.37Å
189E98.5Very high97.6Very high85 Ų8557.1 Ų57.140%0.39728%0.28SS..  trans-113.6120.1179.1-65.4170.4162.200109.2R186 E191 S192R186-E189 HydrophobicContact CB-CG 4.04Å; R186-E189 WeakPolarHBondContact CB-OE2 3.48Å; R186-E189 PolarHBondContact N-OE2 3.01Å; R186-E189 VanDerWaalsContact N-OE2 3.12Å; R186-E189 WeakPolarHBondContact O-CB 3.24Å; R186-E189 PolarHBondContact O-N 3.29Å; E189-E191 PolarHBondContact O-N 3.2Å; E189-E191 VanDerWaalsContact O-N 3.09Å; E189-S192 VanDerWaalsContact O-CB 3.28Å; E189-S192 WeakPolarHBondContact O-CB 3.45Å; E189-S192 PolarHBondContact O-N 2.9Å; E189-S192 PolarHBondContact O-OG 3.16Å
190S98.7Very high97.6Very high22 Ų2256.3 Ų56.315%0.15428%0.277CS..Hα-helixtrans-55.3-32.5-179.475.30000112.7S192 Y193 R194 A219 A223S190-S192 PolarHBondContact O-N 3.1Å; S190-Y193 PolarHBondContact O-N 3.41Å; S190-Y193 VanDerWaalsContact O-N 3.16Å; S190-R194 PolarHBondContact O-N 3.32Å; S190-R194 PolarHBondContact OG-NH1 2.99Å; S190-R194 VanDerWaalsContact OG-NH1 3.08Å; S190-R194 PolarHBondContact OG-NH2 3.39Å; S190-R194 VanDerWaalsContact OG-NH2 3.14Å; S190-A219 VanDerWaalsContact CA-O 3.22Å; S190-A219 WeakPolarHBondContact CA-O 3.24Å; S190-A219 VanDerWaalsContact CB-O 3.23Å; S190-A219 WeakPolarHBondContact CB-O 3.3Å; S190-A223 VanDerWaalsContact O-CB 3.31Å; S190-A223 WeakPolarHBondContact O-CB 3.35Å
191E98.8Very high97.6Very high87 Ų8758.8 Ų58.841%0.40731%0.307SS..Hα-helixtrans-62.6-28.9179.8-172.856.6-161.200113.2E189 Y193 R194 K195E189-E191 PolarHBondContact O-N 3.2Å; E189-E191 VanDerWaalsContact O-N 3.09Å; E191-Y193 VanDerWaalsContact C-N 3.3Å; E191-Y193 PolarHBondContact O-N 3.41Å; E191-R194 PolarHBondContact O-N 3.2Å; E191-R194 IonicContact OE2-NH1 2.77Å; E191-R194 PolarHBondContact OE2-NH1 3.4Å; E191-K195 WeakPolarHBondContact O-CG 3.15Å; E191-K195 PolarHBondContact O-N 2.88Å; E191-K195 VanDerWaalsContact O-N 3.08Å
192S98.8Very high97.7Very high1 Ų159.4 Ų59.41%0.00731%0.312CS..Hα-helixtrans-61.4-41.9175-56.30000111.3Y152 G185 R186 E189 S190 K195 I196Y152-S192 VanDerWaalsContact OH-CB 3.29Å; Y152-S192 WeakPolarHBondContact OH-CB 3.38Å; G185-S192 WeakPolarHBondContact CA-OG 3.5Å; R186-S192 PolarHBondContact N-OG 3.47Å; R186-S192 VanDerWaalsContact N-OG 3.15Å; R186-S192 WeakPolarHBondContact O-CB 3.46Å; R186-S192 PolarHBondContact O-OG 3.37Å; E189-S192 VanDerWaalsContact O-CB 3.28Å; E189-S192 WeakPolarHBondContact O-CB 3.45Å; E189-S192 PolarHBondContact O-N 2.9Å; E189-S192 PolarHBondContact O-OG 3.16Å; S190-S192 PolarHBondContact O-N 3.1Å; S192-K195 PolarHBondContact O-N 3.15Å; S192-I196 VanDerWaalsContact O-CG1 3.27Å; S192-I196 WeakPolarHBondContact O-CG1 3.24Å; S192-I196 PolarHBondContact O-N 2.76Å
193Y98.9Very high98Very high2 Ų260 Ų601%0.00832%0.319CS..Hα-helixtrans-70.6-34.8-179.4-62.8-83.7000112.5L14 Y152 K187 S190 E191 I196 A197 F209 E216 A219 A220L14-Y193 HydrophobicContact CD2-CD1 4.26Å; L14-Y193 HydrophobicContact CD2-CE1 4.36Å; Y152-Y193 HydrophobicContact CD1-CE1 4.02Å; Y152-Y193 HydrophobicContact CE1-CE1 4.03Å; K187-Y193 VanDerWaalsContact O-CE2 3.32Å; K187-Y193 WeakPolarHBondContact O-CE2 3.37Å; K187-Y193 PolarHBondContact O-OH 3.37Å; S190-Y193 PolarHBondContact O-N 3.41Å; S190-Y193 VanDerWaalsContact O-N 3.16Å; E191-Y193 VanDerWaalsContact C-N 3.3Å; E191-Y193 PolarHBondContact O-N 3.41Å; Y193-I196 PolarHBondContact O-N 2.96Å; Y193-A197 PolarHBondContact O-N 3.41Å; Y193-F209 AromaticContact CE1-CD1 3.71Å; Y193-F209 HydrophobicContact CE1-CD1 3.71Å; Y193-F209 AromaticContact CE1-CE1 3.7Å; Y193-F209 HydrophobicContact CE1-CE1 3.7Å; Y193-F209 HydrophobicContact CE1-CG 4.14Å; Y193-F209 HydrophobicContact CE1-CZ 4.14Å; Y193-F209 AromaticContact CZ-CE1 3.86Å; Y193-F209 WeakPolarHBondContact OH-CE1 3.32Å; Y193-E216 PolarHBondContact OH-O 2.8Å; Y193-A219 HydrophobicContact CD2-CB 4.48Å; Y193-A219 HydrophobicContact CE2-CB 3.86Å; Y193-A220 HydrophobicContact CD1-CB 3.8Å; Y193-A220 HydrophobicContact CD2-CB 4.18Å; Y193-A220 HydrophobicContact CE1-CB 3.68Å; Y193-A220 HydrophobicContact CE2-CB 4.07Å; Y193-A220 HydrophobicContact CG-CB 4.05Å
194R98.8Very high98.3Very high87 Ų8752.3 Ų52.333%0.32829%0.287SS..Hα-helixtrans-62.5-46.7171.7-59.6-170.9-1681009.1111.3S190 E191 I196 A197 D198 T204 E222 A223S190-R194 PolarHBondContact O-N 3.32Å; S190-R194 PolarHBondContact OG-NH1 2.99Å; S190-R194 VanDerWaalsContact OG-NH1 3.08Å; S190-R194 PolarHBondContact OG-NH2 3.39Å; S190-R194 VanDerWaalsContact OG-NH2 3.14Å; E191-R194 PolarHBondContact O-N 3.2Å; E191-R194 IonicContact OE2-NH1 2.77Å; E191-R194 PolarHBondContact OE2-NH1 3.4Å; R194-I196 VanDerWaalsContact C-N 3.32Å; R194-I196 PolarHBondContact O-N 2.81Å; R194-A197 WeakPolarHBondContact O-CB 3.45Å; R194-A197 PolarHBondContact O-N 2.79Å; R194-D198 PolarHBondContact O-N 3.2Å; R194-T204 HydrophobicContact CG-CG2 4.33Å; R194-E222 PolarHBondContact NH2-O 2.85Å; R194-E222 VanDerWaalsContact NH2-O 3.07Å; R194-A223 HydrophobicContact CG-CB 4.05Å
195K98.9Very high98.3Very high89 Ų8952.3 Ų52.339%0.38729%0.287SS..Hα-helixtrans-63.8-34.9175.4-70.9172.4179.9170.20113.3I184 E191 S192 D198 S199I184-K195 HydrophobicContact CD1-CB 4.07Å; I184-K195 HydrophobicContact CG1-CB 3.84Å; I184-K195 VanDerWaalsContact O-CD 3.26Å; I184-K195 WeakPolarHBondContact O-CD 3.26Å; E191-K195 WeakPolarHBondContact O-CG 3.15Å; E191-K195 PolarHBondContact O-N 2.88Å; E191-K195 VanDerWaalsContact O-N 3.08Å; S192-K195 PolarHBondContact O-N 3.15Å; K195-D198 PolarHBondContact O-N 3.27Å; K195-S199 WeakPolarHBondContact O-CB 3.39Å; K195-S199 PolarHBondContact O-N 3.44Å
196I98.9Very high98.5Very high0 Ų053.4 Ų53.40%029%0.29CS..Hα-helixtrans-61.9-49172.8-73.9168.8000109.5L14 Y152 F180 I184 S192 Y193 R194 D198 S199 I200 I207L14-I196 HydrophobicContact CD1-CG2 4.26Å; L14-I196 HydrophobicContact CD2-CD1 4.15Å; L14-I196 HydrophobicContact CD2-CG2 4.16Å; Y152-I196 HydrophobicContact CD1-CD1 3.47Å; Y152-I196 VanDerWaalsContact CD1-CD1 3.47Å; Y152-I196 HydrophobicContact CD2-CD1 4.04Å; Y152-I196 HydrophobicContact CE1-CD1 3.64Å; Y152-I196 HydrophobicContact CE2-CD1 4.19Å; Y152-I196 HydrophobicContact CG-CD1 3.69Å; F180-I196 HydrophobicContact CB-CD1 4.34Å; F180-I196 HydrophobicContact CB-CG1 4.36Å; F180-I196 HydrophobicContact CD1-CG1 4.03Å; F180-I196 HydrophobicContact CD2-CD1 4.46Å; F180-I196 HydrophobicContact CD2-CG1 4.13Å; F180-I196 HydrophobicContact CD2-CG2 4.02Å; F180-I196 HydrophobicContact CE1-CG1 4.37Å; F180-I196 HydrophobicContact CE2-CG1 4.46Å; F180-I196 HydrophobicContact CE2-CG2 3.75Å; F180-I196 HydrophobicContact CG-CD1 4.31Å; F180-I196 HydrophobicContact CG-CG1 3.9Å; F180-I196 HydrophobicContact CZ-CG2 4.13Å; I184-I196 HydrophobicContact CG1-CG1 4.02Å; I184-I196 HydrophobicContact CG2-CD1 4.15Å; I184-I196 HydrophobicContact CG2-CG1 3.99Å; S192-I196 VanDerWaalsContact O-CG1 3.27Å; S192-I196 WeakPolarHBondContact O-CG1 3.24Å; S192-I196 PolarHBondContact O-N 2.76Å; Y193-I196 PolarHBondContact O-N 2.96Å; R194-I196 VanDerWaalsContact C-N 3.32Å; R194-I196 PolarHBondContact O-N 2.81Å; I196-D198 VanDerWaalsContact C-N 3.34Å; I196-D198 PolarHBondContact O-N 2.9Å; I196-S199 PolarHBondContact O-N 3.02Å; I196-I200 HydrophobicContact CG2-CD1 3.58Å; I196-I200 HydrophobicContact CG2-CG1 4.28Å; I196-I200 WeakPolarHBondContact O-CB 3.5Å; I196-I200 VanDerWaalsContact O-CG1 3.24Å; I196-I200 WeakPolarHBondContact O-CG1 3.47Å; I196-I200 PolarHBondContact O-N 2.99Å; I196-I207 HydrophobicContact CG2-CD1 4.44Å
197A98.9Very high98.6Very high2 Ų245.4 Ų45.42%0.01726%0.26CS..Hα-helixtrans-57.8-45.7177.300000112.1Y193 R194 S199 I200 G201 C202 T204 I207Y193-A197 PolarHBondContact O-N 3.41Å; R194-A197 WeakPolarHBondContact O-CB 3.45Å; R194-A197 PolarHBondContact O-N 2.79Å; A197-S199 PolarHBondContact O-N 3.21Å; A197-I200 PolarHBondContact O-N 3.17Å; A197-G201 PolarHBondContact O-N 3.37Å; A197-C202 CarbonylContact C-O 3.38Å; A197-C202 WeakPolarHBondContact CB-O 3.17Å; A197-C202 PolarHBondContact O-N 2.75Å; A197-C202 VanDerWaalsContact O-O 3.12Å; A197-T204 HydrophobicContact CB-CG2 3.76Å; A197-I207 HydrophobicContact CB-CD1 3.79Å
198D98.8Very high98.7Very high125 Ų12544.8 Ų44.867%0.66826%0.258SS*.Hα-helixtrans-58.6-45.9174.5-71.6-20.9000112.1R194 K195 I196 I200 G201R194-D198 PolarHBondContact O-N 3.2Å; K195-D198 PolarHBondContact O-N 3.27Å; I196-D198 VanDerWaalsContact C-N 3.34Å; I196-D198 PolarHBondContact O-N 2.9Å; D198-I200 VanDerWaalsContact C-N 3.32Å; D198-I200 PolarHBondContact O-N 3.41Å; D198-G201 PolarHBondContact O-N 3.34Å; D198-G201 VanDerWaalsContact O-N 3.14Å
199S98.8Very high98.7Very high79 Ų7940.8 Ų40.855%0.55223%0.234SC*.Hα-helixtrans-67.2-31.9179.3-175.40000113F180 K195 I196 A197 G201F180-S199 WeakPolarHBondContact CE1-OG 3.12Å; K195-S199 WeakPolarHBondContact O-CB 3.39Å; K195-S199 PolarHBondContact O-N 3.44Å; I196-S199 PolarHBondContact O-N 3.02Å; A197-S199 PolarHBondContact O-N 3.21Å; S199-G201 VanDerWaalsContact C-N 3.3Å
200I98.7Very high98.7Very high14 Ų1436.8 Ų36.87%0.07222%0.215CC..Hα-helixtrans-77.3-22.4175-65.9174.1000110.9V12 K148 Y150 F180 I196 A197 D198 C202 I207V12-I200 HydrophobicContact CG1-CD1 3.97Å; V12-I200 HydrophobicContact CG2-CG2 4.04Å; K148-I200 VanDerWaalsContact NZ-CG2 3.34Å; K148-I200 PolarHBondContact NZ-O 3Å; Y150-I200 HydrophobicContact CD1-CD1 4.17Å; Y150-I200 HydrophobicContact CD1-CG1 4.07Å; Y150-I200 HydrophobicContact CD2-CD1 3.75Å; Y150-I200 HydrophobicContact CD2-CG1 4.18Å; Y150-I200 HydrophobicContact CD2-CG2 4.49Å; Y150-I200 HydrophobicContact CE1-CD1 4.46Å; Y150-I200 HydrophobicContact CE1-CG1 3.94Å; Y150-I200 HydrophobicContact CE2-CD1 4.03Å; Y150-I200 HydrophobicContact CE2-CG1 4Å; Y150-I200 HydrophobicContact CE2-CG2 3.77Å; Y150-I200 HydrophobicContact CG-CD1 3.82Å; Y150-I200 HydrophobicContact CG-CG1 4.2Å; F180-I200 HydrophobicContact CE2-CD1 3.92Å; F180-I200 HydrophobicContact CE2-CG1 3.87Å; F180-I200 HydrophobicContact CZ-CD1 4.28Å; F180-I200 HydrophobicContact CZ-CG1 3.75Å; I196-I200 HydrophobicContact CG2-CD1 3.58Å; I196-I200 HydrophobicContact CG2-CG1 4.28Å; I196-I200 WeakPolarHBondContact O-CB 3.5Å; I196-I200 VanDerWaalsContact O-CG1 3.24Å; I196-I200 WeakPolarHBondContact O-CG1 3.47Å; I196-I200 PolarHBondContact O-N 2.99Å; A197-I200 PolarHBondContact O-N 3.17Å; D198-I200 VanDerWaalsContact C-N 3.32Å; D198-I200 PolarHBondContact O-N 3.41Å; I200-C202 HydrophobicContact CG2-CB 4.33Å; I200-C202 VanDerWaalsContact CG2-SG 3.53Å; I200-I207 HydrophobicContact CD1-CD1 4.45Å
201G98.6Very high98.8Very high68 Ų6835.7 Ų35.770%0.70121%0.207SC*.THydrogen-bonded Turntrans76.140.4-174.300000112.5A197 D198 S199A197-G201 PolarHBondContact O-N 3.37Å; D198-G201 PolarHBondContact O-N 3.34Å; D198-G201 VanDerWaalsContact O-N 3.14Å; S199-G201 VanDerWaalsContact C-N 3.3Å
202C98.6Very high98.7Very high22 Ų2232.6 Ų32.615%0.14919%0.193CC..SBendtrans-136.3169177.363.90000111.4A197 I200 N206A197-C202 CarbonylContact C-O 3.38Å; A197-C202 WeakPolarHBondContact CB-O 3.17Å; A197-C202 PolarHBondContact O-N 2.75Å; A197-C202 VanDerWaalsContact O-O 3.12Å; I200-C202 HydrophobicContact CG2-CB 4.33Å; I200-C202 VanDerWaalsContact CG2-SG 3.53Å; C202-N206 HydrophobicContact CB-CB 4.26Å
203S98.6Very high98.7Very high66 Ų6635.1 Ų35.146%0.46221%0.209SC..  trans-78.5155.6169.3-54.90000111.1N205 N206S203-N205 VanDerWaalsContact C-N 3.32Å; S203-N205 WeakPolarHBondContact CB-OD1 3.49Å; S203-N205 PolarHBondContact O-N 3.43Å; S203-N206 PolarHBondContact N-ND2 3.03Å; S203-N206 WeakPolarHBondContact O-CB 3.31Å; S203-N206 PolarHBondContact O-N 3.4Å
204T98.8Very high98.7Very high25 Ų2536.2 Ų36.215%0.15322%0.215CC..G310 helixtrans-59.4-40.8178.8450000112.6R194 A197 N206 I207 A223 D224 V225R194-T204 HydrophobicContact CG-CG2 4.33Å; A197-T204 HydrophobicContact CB-CG2 3.76Å; T204-N206 PolarHBondContact O-N 3.03Å; T204-N206 VanDerWaalsContact O-N 3.11Å; T204-I207 WeakPolarHBondContact O-CB 3.16Å; T204-I207 PolarHBondContact O-N 3.3Å; T204-A223 WeakPolarHBondContact CB-O 3.45Å; T204-A223 VanDerWaalsContact CG2-O 3.26Å; T204-A223 WeakPolarHBondContact CG2-O 3.4Å; T204-A223 PolarHBondContact OG1-O 3.3Å; T204-D224 CarbonylContact C-O 3.59Å; T204-D224 WeakPolarHBondContact CB-O 3.16Å; T204-D224 PolarHBondContact OG1-O 3.27Å; T204-V225 HydrophobicContact CG2-CG2 4.17Å
205N98.3Very high98.7Very high39 Ų3941.2 Ų41.221%0.20924%0.235CC..G310 helixtrans-67.4-8.3176.567.5-45.4000113.9E9 S203 I207 D224 H226E9-N205 PolarHBondContact OE2-ND2 3.13Å; S203-N205 VanDerWaalsContact C-N 3.32Å; S203-N205 WeakPolarHBondContact CB-OD1 3.49Å; S203-N205 PolarHBondContact O-N 3.43Å; N205-I207 VanDerWaalsContact C-N 3.3Å; N205-D224 WeakPolarHBondContact CA-O 3.34Å; N205-D224 PolarHBondContact N-O 3.21Å; N205-H226 PolarHBondContact O-CD2 3.47Å; N205-H226 PolarHBondContact O-NE2 3.21Å; N205-H226 VanDerWaalsContact O-NE2 3.12Å
206N98.6Very high98.7Very high37 Ų3738 Ų3820%0.19822%0.221CC..G310 helixtrans-86.6-2.1172.3-61.9-14.8000112.7E9 V10 T11 V12 C202 S203 T204E9-N206 PolarHBondContact O-OD1 2.74Å; V10-N206 WeakPolarHBondContact CA-O 3.3Å; T11-N206 PolarHBondContact N-O 3.46Å; V12-N206 PolarHBondContact N-O 3.46Å; C202-N206 HydrophobicContact CB-CB 4.26Å; S203-N206 PolarHBondContact N-ND2 3.03Å; S203-N206 WeakPolarHBondContact O-CB 3.31Å; S203-N206 PolarHBondContact O-N 3.4Å; T204-N206 PolarHBondContact O-N 3.03Å; T204-N206 VanDerWaalsContact O-N 3.11Å
207I98.9Very high98.7Very high1 Ų138 Ų381%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-105.9133.2-176.9-57.2173.8000109.6V12 L14 I196 A197 I200 T204 N205 V225 H226V12-I207 HydrophobicContact CB-CG1 4.07Å; V12-I207 HydrophobicContact CG1-CG1 4.2Å; V12-I207 HydrophobicContact CG1-CG2 4.48Å; V12-I207 WeakPolarHBondContact O-CA 3.46Å; L14-I207 HydrophobicContact CB-CG2 3.72Å; L14-I207 HydrophobicContact CD2-CG2 4.42Å; I196-I207 HydrophobicContact CG2-CD1 4.44Å; A197-I207 HydrophobicContact CB-CD1 3.79Å; I200-I207 HydrophobicContact CD1-CD1 4.45Å; T204-I207 WeakPolarHBondContact O-CB 3.16Å; T204-I207 PolarHBondContact O-N 3.3Å; N205-I207 VanDerWaalsContact C-N 3.3Å; I207-V225 HydrophobicContact CB-CG1 3.91Å; I207-V225 HydrophobicContact CG2-CG1 3.76Å; I207-H226 WeakPolarHBondContact O-CB 3.43Å; I207-H226 PolarHBondContact O-N 3.42Å
208L98.9Very high98.7Very high6 Ų640 Ų403%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-107.3117.3159.217362.5000109.3V6 V10 V12 I13 L14 L210 H226 A228 L255V6-L208 HydrophobicContact CG1-CD2 4.31Å; V6-L208 HydrophobicContact CG2-CD2 3.78Å; V10-L208 HydrophobicContact CG1-CB 3.77Å; V10-L208 HydrophobicContact CG2-CB 4.29Å; V12-L208 PolarHBondContact O-N 2.94Å; I13-L208 WeakPolarHBondContact CA-O 3.41Å; I13-L208 HydrophobicContact CD1-CB 4.06Å; I13-L208 HydrophobicContact CD1-CD2 4.12Å; I13-L208 HydrophobicContact CD1-CG 4.49Å; L14-L208 PolarHBondContact N-O 3.22Å; L208-L210 HydrophobicContact CD1-CD2 4.31Å; L208-L210 HydrophobicContact CD2-CD2 4.2Å; L208-L210 HydrophobicContact CG-CD2 4.02Å; L208-H226 CarbonylContact C-O 3.55Å; L208-H226 WeakPolarHBondContact CA-O 3.47Å; L208-H226 HydrophobicContact CB-CB 4.41Å; L208-H226 HydrophobicContact CD1-CB 3.93Å; L208-A228 HydrophobicContact CD1-CB 4.43Å; L208-L255 HydrophobicContact CD2-CD1 3.77Å; L208-L255 HydrophobicContact CD2-CD2 3.9Å; L208-L255 HydrophobicContact CD2-CG 4.42Å
209F98.9Very high98.7Very high0 Ų034.2 Ų34.20%020%0.204CC..EExtended strand (participates in β ladder)trans-96.3128.3177-179.9-131.4000111.4L14 D16 Y193 T211 E216 A220 V225 H226 V227 A228L14-F209 HydrophobicContact CB-CB 4.36Å; L14-F209 HydrophobicContact CB-CD2 3.88Å; L14-F209 HydrophobicContact CD2-CB 4.46Å; L14-F209 HydrophobicContact CD2-CD2 3.67Å; L14-F209 HydrophobicContact CD2-CE2 4.2Å; L14-F209 HydrophobicContact CD2-CG 4.22Å; L14-F209 HydrophobicContact CG-CD2 3.67Å; L14-F209 HydrophobicContact CG-CE2 4.19Å; L14-F209 CarbonylContact O-C 3.58Å; L14-F209 WeakPolarHBondContact O-CA 3.47Å; L14-F209 WeakPolarHBondContact O-CD2 3.49Å; D16-F209 HydrophobicContact CB-CE2 4.36Å; D16-F209 HydrophobicContact CB-CZ 4.46Å; Y193-F209 AromaticContact CE1-CD1 3.71Å; Y193-F209 HydrophobicContact CE1-CD1 3.71Å; Y193-F209 AromaticContact CE1-CE1 3.7Å; Y193-F209 HydrophobicContact CE1-CE1 3.7Å; Y193-F209 HydrophobicContact CE1-CG 4.14Å; Y193-F209 HydrophobicContact CE1-CZ 4.14Å; Y193-F209 AromaticContact CZ-CE1 3.86Å; Y193-F209 WeakPolarHBondContact OH-CE1 3.32Å; F209-T211 HydrophobicContact CD1-CG2 3.83Å; F209-T211 HydrophobicContact CE1-CG2 3.36Å; F209-T211 HydrophobicContact CZ-CG2 3.93Å; F209-E216 HydrophobicContact CE1-CB 4.01Å; F209-A220 HydrophobicContact CD1-CB 3.81Å; F209-V225 HydrophobicContact CB-CG1 3.95Å; F209-H226 PolarHBondContact N-O 2.9Å; F209-V227 WeakPolarHBondContact O-CA 3.4Å; F209-A228 PolarHBondContact O-N 3.42Å
210L98.9Very high98.7Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-109.2119.3174.5-53.6-173000109.3I13 L14 L15 D16 T20 W142 L208 A228 V230 I249 F252I13-L210 HydrophobicContact CG2-CD1 4.24Å; I13-L210 HydrophobicContact CG2-CG 4.39Å; L14-L210 PolarHBondContact O-N 3.38Å; L15-L210 HydrophobicContact CD2-CB 3.91Å; L15-L210 HydrophobicContact CD2-CD1 3.61Å; L15-L210 HydrophobicContact CD2-CG 3.95Å; D16-L210 WeakPolarHBondContact CB-O 3.31Å; D16-L210 PolarHBondContact N-O 3.11Å; T20-L210 HydrophobicContact CG2-CB 4.34Å; W142-L210 HydrophobicContact CH2-CD1 3.92Å; L208-L210 HydrophobicContact CD1-CD2 4.31Å; L208-L210 HydrophobicContact CD2-CD2 4.2Å; L208-L210 HydrophobicContact CG-CD2 4.02Å; L210-A228 HydrophobicContact CD2-CB 3.68Å; L210-V230 HydrophobicContact CB-CG2 3.84Å; L210-I249 HydrophobicContact CD1-CD1 4.19Å; L210-I249 HydrophobicContact CD2-CD1 4.23Å; L210-F252 HydrophobicContact CD1-CD1 4.29Å; L210-F252 HydrophobicContact CD1-CE1 3.93Å; L210-F252 HydrophobicContact CD1-CE2 4.49Å; L210-F252 HydrophobicContact CD1-CZ 4.04Å
211T98.8Very high98.7Very high0 Ų032.7 Ų32.70%019%0.188CC..EExtended strand (participates in β ladder)trans-146155.9178.4176.70000109.8T20 F209 V213 E216 A217 A228 V229 V230T20-T211 WeakPolarHBondContact OG1-CA 3.39Å; F209-T211 HydrophobicContact CD1-CG2 3.83Å; F209-T211 HydrophobicContact CE1-CG2 3.36Å; F209-T211 HydrophobicContact CZ-CG2 3.93Å; T211-V213 PolarHBondContact OG1-N 3Å; T211-V213 VanDerWaalsContact OG1-N 3.09Å; T211-E216 HydrophobicContact CG2-CB 4.16Å; T211-E216 PolarHBondContact OG1-OE2 3.35Å; T211-A217 HydrophobicContact CG2-CB 4.12Å; T211-A228 PolarHBondContact N-O 2.99Å; T211-V229 CarbonylContact O-C 3.58Å; T211-V229 VanDerWaalsContact O-CA 3.23Å; T211-V229 WeakPolarHBondContact O-CA 3.41Å; T211-V230 PolarHBondContact O-N 3.41Å
212D98.6Very high98.7Very high21 Ų2135.5 Ų35.511%0.11218%0.183CC..SBendtrans-89.2-15.7169.668.4-55.5000113.2E18 T20 V230 N235E18-D212 VanDerWaalsContact O-OD1 3.11Å; T20-D212 PolarHBondContact OG1-N 3.02Å; T20-D212 VanDerWaalsContact OG1-N 3.15Å; D212-V230 WeakPolarHBondContact CA-O 3.4Å; D212-V230 VanDerWaalsContact CB-O 3.29Å; D212-V230 WeakPolarHBondContact CB-O 3.47Å; D212-N235 WeakPolarHBondContact CB-ND2 3.42Å
213V98.4Very high98.7Very high54 Ų5434.6 Ų34.633%0.32718%0.177SC..  trans-95.8114.7-172.3-177.60000111.2T211 R215 E216 A217T211-V213 PolarHBondContact OG1-N 3Å; T211-V213 VanDerWaalsContact OG1-N 3.09Å; V213-R215 VanDerWaalsContact C-N 3.26Å; V213-R215 HydrophobicContact CG1-CB 4.22Å; V213-R215 PolarHBondContact O-N 3.26Å; V213-E216 HydrophobicContact CB-CB 4.35Å; V213-E216 HydrophobicContact CB-CG 3.89Å; V213-E216 HydrophobicContact CG1-CG 3.96Å; V213-E216 WeakPolarHBondContact O-CB 3.48Å; V213-E216 PolarHBondContact O-N 2.96Å; V213-A217 PolarHBondContact O-N 3.42Å
214T98.3Very high98.7Very high25 Ų2536.7 Ų36.715%0.15318%0.183CC..Hα-helixtrans-64-26.9-176.954.90000114.4E216 A217 S218 V229 L238 E242 Y246T214-E216 VanDerWaalsContact C-N 3.32Å; T214-A217 WeakPolarHBondContact O-CB 3.3Å; T214-A217 PolarHBondContact O-N 3.35Å; T214-S218 WeakPolarHBondContact O-CB 3.47Å; T214-S218 PolarHBondContact O-N 3.13Å; T214-V229 HydrophobicContact CG2-CG2 4.46Å; T214-L238 HydrophobicContact CG2-CD2 3.51Å; T214-E242 WeakPolarHBondContact CB-OE1 3.44Å; T214-E242 HydrophobicContact CG2-CB 4.32Å; T214-E242 HydrophobicContact CG2-CG 4.07Å; T214-E242 WeakPolarHBondContact CG2-OE1 3.02Å; T214-E242 PolarHBondContact OG1-OE1 3.33Å; T214-Y246 HydrophobicContact CG2-CD2 4.06Å; T214-Y246 HydrophobicContact CG2-CE2 3.81Å
215R98.5Very high98.7Very high193 Ų19335.8 Ų35.873%0.72818%0.177SC*.Hα-helixtrans-67-34.1173.1-66.9-176.9-179.7176.10.6112.8V188 V213 A219V188-R215 HydrophobicContact CG1-CB 4.03Å; V213-R215 VanDerWaalsContact C-N 3.26Å; V213-R215 HydrophobicContact CG1-CB 4.22Å; V213-R215 PolarHBondContact O-N 3.26Å; R215-A219 WeakPolarHBondContact O-CB 3.45Å; R215-A219 PolarHBondContact O-N 3.37Å
216E98.8Very high98.7Very high20 Ų2036.4 Ų36.49%0.09318%0.179CC..Hα-helixtrans-74.2-40.9174-58.9-176170.500110.2K187 V188 Y193 F209 T211 V213 T214 S218 A219 A220K187-E216 HydrophobicContact CB-CG 3.89Å; K187-E216 WeakPolarHBondContact CB-OE1 3.26Å; K187-E216 VanDerWaalsContact CD-OE1 3.28Å; K187-E216 WeakPolarHBondContact CD-OE1 3.21Å; K187-E216 WeakPolarHBondContact CE-OE1 3.41Å; K187-E216 WeakPolarHBondContact CE-OE2 3.35Å; K187-E216 IonicContact NZ-OE1 3.16Å; K187-E216 PolarHBondContact NZ-OE1 3Å; K187-E216 IonicContact NZ-OE2 3.38Å; K187-E216 PolarHBondContact NZ-OE2 2.85Å; V188-E216 HydrophobicContact CG1-CG 4.37Å; Y193-E216 PolarHBondContact OH-O 2.8Å; F209-E216 HydrophobicContact CE1-CB 4.01Å; T211-E216 HydrophobicContact CG2-CB 4.16Å; T211-E216 PolarHBondContact OG1-OE2 3.35Å; V213-E216 HydrophobicContact CB-CB 4.35Å; V213-E216 HydrophobicContact CB-CG 3.89Å; V213-E216 HydrophobicContact CG1-CG 3.96Å; V213-E216 WeakPolarHBondContact O-CB 3.48Å; V213-E216 PolarHBondContact O-N 2.96Å; T214-E216 VanDerWaalsContact C-N 3.32Å; E216-S218 PolarHBondContact O-N 3.08Å; E216-A219 PolarHBondContact O-N 2.67Å; E216-A220 PolarHBondContact O-N 3.08Å
217A98.8Very high98.7Very high0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-55.7-51.6173.600000112T211 V213 T214 A219 A220 E221 V227 V229 Y246T211-A217 HydrophobicContact CG2-CB 4.12Å; V213-A217 PolarHBondContact O-N 3.42Å; T214-A217 WeakPolarHBondContact O-CB 3.3Å; T214-A217 PolarHBondContact O-N 3.35Å; A217-A219 VanDerWaalsContact C-N 3.33Å; A217-A219 PolarHBondContact O-N 3.01Å; A217-A220 PolarHBondContact O-N 3.49Å; A217-E221 PolarHBondContact O-N 2.98Å; A217-V227 HydrophobicContact CB-CG1 3.56Å; A217-V229 HydrophobicContact CB-CG2 4.08Å; A217-Y246 HydrophobicContact CB-CD1 4.39Å; A217-Y246 HydrophobicContact CB-CE1 3.78Å
218S98.8Very high98.7Very high45 Ų4535.3 Ų35.332%0.31517%0.174SC..Hα-helixtrans-57.7-44176.5-172.30000112.2T214 E216 A220 E221 E222 Y246T214-S218 WeakPolarHBondContact O-CB 3.47Å; T214-S218 PolarHBondContact O-N 3.13Å; E216-S218 PolarHBondContact O-N 3.08Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.3Å; S218-E221 PolarHBondContact O-N 2.87Å; S218-E222 WeakPolarHBondContact O-CG 3.48Å; S218-E222 PolarHBondContact O-N 2.72Å; S218-Y246 PolarHBondContact N-OH 3.38Å
219A98.8Very high98.7Very high3 Ų335 Ų353%0.02517%0.172CC..Hα-helixtrans-65.2-36.4179.300000112.4S190 Y193 R215 E216 A217 A223S190-A219 VanDerWaalsContact CA-O 3.22Å; S190-A219 WeakPolarHBondContact CA-O 3.24Å; S190-A219 VanDerWaalsContact CB-O 3.23Å; S190-A219 WeakPolarHBondContact CB-O 3.3Å; Y193-A219 HydrophobicContact CD2-CB 4.48Å; Y193-A219 HydrophobicContact CE2-CB 3.86Å; R215-A219 WeakPolarHBondContact O-CB 3.45Å; R215-A219 PolarHBondContact O-N 3.37Å; E216-A219 PolarHBondContact O-N 2.67Å; A217-A219 VanDerWaalsContact C-N 3.33Å; A217-A219 PolarHBondContact O-N 3.01Å; A219-A223 PolarHBondContact O-N 3.42Å
220A98.8Very high98.7Very high0 Ų035.1 Ų35.10%017%0.173CC..Hα-helixtrans-68.1-4417400000111.8Y193 F209 E216 A217 S218 E222 A223 D224 V225 V227Y193-A220 HydrophobicContact CD1-CB 3.8Å; Y193-A220 HydrophobicContact CD2-CB 4.18Å; Y193-A220 HydrophobicContact CE1-CB 3.68Å; Y193-A220 HydrophobicContact CE2-CB 4.07Å; Y193-A220 HydrophobicContact CG-CB 4.05Å; F209-A220 HydrophobicContact CD1-CB 3.81Å; E216-A220 PolarHBondContact O-N 3.08Å; A217-A220 PolarHBondContact O-N 3.49Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.3Å; A220-E222 VanDerWaalsContact C-N 3.34Å; A220-E222 PolarHBondContact O-N 3.21Å; A220-A223 CarbonylContact O-C 3.53Å; A220-A223 WeakPolarHBondContact O-CA 3.39Å; A220-A223 VanDerWaalsContact O-CB 3.31Å; A220-A223 WeakPolarHBondContact O-CB 3.45Å; A220-A223 PolarHBondContact O-N 3.42Å; A220-D224 PolarHBondContact O-N 2.93Å; A220-V225 HydrophobicContact CB-CB 4.14Å; A220-V225 HydrophobicContact CB-CG1 4.22Å; A220-V225 WeakPolarHBondContact O-CB 3.37Å; A220-V225 PolarHBondContact O-N 3.27Å; A220-V225 VanDerWaalsContact O-N 3.09Å; A220-V227 HydrophobicContact CB-CG2 3.65Å
221E98.8Very high98.7Very high61 Ų6137.7 Ų37.729%0.28519%0.189SC..Hα-helixtrans-61.1-40.2175.7-73.7-171.6164.100112.3A217 S218 A223 D224 V227 Y245A217-E221 PolarHBondContact O-N 2.98Å; S218-E221 PolarHBondContact O-N 2.87Å; E221-A223 PolarHBondContact O-N 2.99Å; E221-A223 VanDerWaalsContact O-N 3.12Å; E221-D224 PolarHBondContact O-N 3.49Å; E221-V227 HydrophobicContact CG-CB 4.25Å; E221-V227 HydrophobicContact CG-CG2 3.8Å; E221-Y245 WeakPolarHBondContact OE2-CE1 3.48Å; E221-Y245 PolarHBondContact OE2-OH 3.44Å
222E98.8Very high98.7Very high128 Ų12838.5 Ų38.560%0.59819%0.191SC*.THydrogen-bonded Turntrans-61.2-18.7172.6-74.2172.9-161.800113.4R194 S218 A220R194-E222 PolarHBondContact NH2-O 2.85Å; R194-E222 VanDerWaalsContact NH2-O 3.07Å; S218-E222 WeakPolarHBondContact O-CG 3.48Å; S218-E222 PolarHBondContact O-N 2.72Å; A220-E222 VanDerWaalsContact C-N 3.34Å; A220-E222 PolarHBondContact O-N 3.21Å
223A98.8Very high98.6Very high3 Ų342.7 Ų42.73%0.02522%0.22CC..THydrogen-bonded Turntrans-94.87.5174.400000113.4S190 R194 T204 A219 A220 E221 V225S190-A223 VanDerWaalsContact O-CB 3.31Å; S190-A223 WeakPolarHBondContact O-CB 3.35Å; R194-A223 HydrophobicContact CG-CB 4.05Å; T204-A223 WeakPolarHBondContact CB-O 3.45Å; T204-A223 VanDerWaalsContact CG2-O 3.26Å; T204-A223 WeakPolarHBondContact CG2-O 3.4Å; T204-A223 PolarHBondContact OG1-O 3.3Å; A219-A223 PolarHBondContact O-N 3.42Å; A220-A223 CarbonylContact O-C 3.53Å; A220-A223 WeakPolarHBondContact O-CA 3.39Å; A220-A223 VanDerWaalsContact O-CB 3.31Å; A220-A223 WeakPolarHBondContact O-CB 3.45Å; A220-A223 PolarHBondContact O-N 3.42Å; E221-A223 PolarHBondContact O-N 2.99Å; E221-A223 VanDerWaalsContact O-N 3.12Å; A223-V225 VanDerWaalsContact C-N 3.3Å; A223-V225 HydrophobicContact CB-CG2 4.33Å
224D98.8Very high98.5Very high109 Ų10943.5 Ų43.558%0.58324%0.239SC*.THydrogen-bonded Turntrans6334.9-175.1-165.350.1000112.7T204 N205 A220 E221T204-D224 CarbonylContact C-O 3.59Å; T204-D224 WeakPolarHBondContact CB-O 3.16Å; T204-D224 PolarHBondContact OG1-O 3.27Å; N205-D224 WeakPolarHBondContact CA-O 3.34Å; N205-D224 PolarHBondContact N-O 3.21Å; A220-D224 PolarHBondContact O-N 2.93Å; E221-D224 PolarHBondContact O-N 3.49Å
225V98.9Very high98.5Very high6 Ų643.6 Ų43.64%0.03624%0.239CC..  trans-100.4138.3172.5172.50000109.3T204 I207 F209 A220 A223T204-V225 HydrophobicContact CG2-CG2 4.17Å; I207-V225 HydrophobicContact CB-CG1 3.91Å; I207-V225 HydrophobicContact CG2-CG1 3.76Å; F209-V225 HydrophobicContact CB-CG1 3.95Å; A220-V225 HydrophobicContact CB-CB 4.14Å; A220-V225 HydrophobicContact CB-CG1 4.22Å; A220-V225 WeakPolarHBondContact O-CB 3.37Å; A220-V225 PolarHBondContact O-N 3.27Å; A220-V225 VanDerWaalsContact O-N 3.09Å; A223-V225 VanDerWaalsContact C-N 3.3Å; A223-V225 HydrophobicContact CB-CG2 4.33Å
226H98.8Very high98.3Very high52 Ų5238.4 Ų38.424%0.24124%0.237CC..EExtended strand (participates in β ladder)trans-70.8144.2173.3-62.6-77.2000110.2E9 N205 I207 L208 F209E9-H226 IonicContact OE1-CE1 3.35Å; E9-H226 PolarHBondContact OE1-CE1 3.18Å; E9-H226 IonicContact OE1-NE2 2.74Å; E9-H226 PolarHBondContact OE1-NE2 2.97Å; N205-H226 PolarHBondContact O-CD2 3.47Å; N205-H226 PolarHBondContact O-NE2 3.21Å; N205-H226 VanDerWaalsContact O-NE2 3.12Å; I207-H226 WeakPolarHBondContact O-CB 3.43Å; I207-H226 PolarHBondContact O-N 3.42Å; L208-H226 CarbonylContact C-O 3.55Å; L208-H226 WeakPolarHBondContact CA-O 3.47Å; L208-H226 HydrophobicContact CB-CB 4.41Å; L208-H226 HydrophobicContact CD1-CB 3.93Å; F209-H226 PolarHBondContact N-O 2.9Å
227V98.7Very high98.2Very high15 Ų1541.2 Ų41.29%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-133.9145.5-177.6-1760000112.1F209 A217 A220 E221F209-V227 WeakPolarHBondContact O-CA 3.4Å; A217-V227 HydrophobicContact CB-CG1 3.56Å; A220-V227 HydrophobicContact CB-CG2 3.65Å; E221-V227 HydrophobicContact CG-CB 4.25Å; E221-V227 HydrophobicContact CG-CG2 3.8Å
228A98.6Very high98.1Very high0 Ų042.6 Ų42.60%028%0.278CS..EExtended strand (participates in β ladder)trans-132.7139.6158.400000110.3L4 L208 F209 L210 T211 S247L4-A228 HydrophobicContact CD2-CB 3.45Å; L4-A228 VanDerWaalsContact CD2-CB 3.45Å; L208-A228 HydrophobicContact CD1-CB 4.43Å; F209-A228 PolarHBondContact O-N 3.42Å; L210-A228 HydrophobicContact CD2-CB 3.68Å; T211-A228 PolarHBondContact N-O 2.99Å; A228-S247 CarbonylContact C-O 3.52Å; A228-S247 WeakPolarHBondContact CA-O 3.45Å
229V98.7Very high98.1Very high1 Ų144 Ų441%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-90126.5179.5175.20000109.7T211 T214 A217 L238 Y246 S247 L248 I249T211-V229 CarbonylContact O-C 3.58Å; T211-V229 VanDerWaalsContact O-CA 3.23Å; T211-V229 WeakPolarHBondContact O-CA 3.41Å; T214-V229 HydrophobicContact CG2-CG2 4.46Å; A217-V229 HydrophobicContact CB-CG2 4.08Å; V229-L238 HydrophobicContact CG1-CD1 3.99Å; V229-L238 HydrophobicContact CG1-CD2 4.21Å; V229-Y246 HydrophobicContact CG2-CD1 4.01Å; V229-Y246 HydrophobicContact CG2-CD2 3.9Å; V229-Y246 HydrophobicContact CG2-CG 3.6Å; V229-S247 PolarHBondContact N-O 2.71Å; V229-L248 HydrophobicContact CB-CD2 3.73Å; V229-L248 HydrophobicContact CG1-CD2 4.11Å; V229-L248 WeakPolarHBondContact O-CA 3.39Å; V229-I249 PolarHBondContact O-N 3.21Å
230V98.7Very high98Very high1 Ų149.2 Ų49.21%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-93.9124.4-178.7-169.30000109.6T20 L210 T211 D212 R232 N235 I249 F252T20-V230 HydrophobicContact CG2-CB 4.29Å; T20-V230 HydrophobicContact CG2-CG2 3.92Å; L210-V230 HydrophobicContact CB-CG2 3.84Å; T211-V230 PolarHBondContact O-N 3.41Å; D212-V230 WeakPolarHBondContact CA-O 3.4Å; D212-V230 VanDerWaalsContact CB-O 3.29Å; D212-V230 WeakPolarHBondContact CB-O 3.47Å; V230-R232 HydrophobicContact CG1-CG 3.98Å; V230-N235 PolarHBondContact O-ND2 2.94Å; V230-I249 WeakPolarHBondContact CA-O 3.37Å; V230-I249 HydrophobicContact CB-CG1 4.49Å; V230-I249 HydrophobicContact CG1-CG1 4.47Å; V230-I249 HydrophobicContact CG2-CD1 4.11Å; V230-I249 HydrophobicContact CG2-CG1 4.01Å; V230-F252 HydrophobicContact CG1-CE1 4.17Å; V230-F252 HydrophobicContact CG2-CE1 4.17Å
231V98.4Very high97.9Very high55 Ų5555.6 Ų55.633%0.33335%0.347SS..  trans-105.3108.8179.6-178.10000109.1L238 L248 I249 T250V231-L238 HydrophobicContact CG2-CD1 3.98Å; V231-L248 HydrophobicContact CG2-CB 4.46Å; V231-L248 HydrophobicContact CG2-CD1 4.44Å; V231-I249 PolarHBondContact N-O 3.4Å; V231-T250 HydrophobicContact CB-CG2 4.13Å
232R98.3Very high97.9Very high16 Ų1654.9 Ų54.96%0.0634%0.343CS..  trans-116.3158.7176.9-59.6-62.6-165.8170.17.1111.8G19 T20 F132 D134 V230 G234 N235 T250G19-R232 WeakPolarHBondContact O-CB 3.29Å; G19-R232 WeakPolarHBondContact O-CG 3.34Å; T20-R232 PolarHBondContact O-NE 3.43Å; T20-R232 VanDerWaalsContact O-NE 3.11Å; T20-R232 PolarHBondContact O-NH2 2.93Å; F132-R232 HydrophobicContact CD2-CG 4.11Å; F132-R232 HydrophobicContact CE1-CB 4.35Å; F132-R232 HydrophobicContact CE2-CB 3.88Å; F132-R232 HydrophobicContact CE2-CG 3.52Å; F132-R232 HydrophobicContact CZ-CB 3.59Å; F132-R232 HydrophobicContact CZ-CG 3.75Å; D134-R232 IonicContact OD1-CZ 2.89Å; D134-R232 IonicContact OD1-NH1 3.44Å; D134-R232 PolarHBondContact OD1-NH1 2.9Å; D134-R232 IonicContact OD1-NH2 3.73Å; D134-R232 PolarHBondContact OD1-NH2 3.45Å; D134-R232 IonicContact OD2-CZ 3.47Å; D134-R232 IonicContact OD2-NH1 2.74Å; D134-R232 PolarHBondContact OD2-NH1 3.14Å; D134-R232 IonicContact OD2-NH2 3.27Å; D134-R232 PolarHBondContact OD2-NH2 2.95Å; V230-R232 HydrophobicContact CG1-CG 3.98Å; R232-G234 PolarHBondContact O-N 3.31Å; R232-N235 PolarHBondContact N-ND2 2.73Å; R232-N235 WeakPolarHBondContact O-CB 3.49Å; R232-N235 PolarHBondContact O-N 2.96Å; R232-T250 PolarHBondContact NH1-O 3.33Å; R232-T250 VanDerWaalsContact NH1-O 3.16Å
233P97.7Very high97.8Very high110 Ų11053.5 Ų53.571%0.71434%0.335SS*.THydrogen-bonded Turntrans-57.5127.4171.9-23.134.1000111.4
234G95.9Very high97.7Very high70 Ų7059.2 Ų59.272%0.72237%0.37SS*.THydrogen-bonded Turntrans95.6-10.8179.600000115.1R232R232-G234 PolarHBondContact O-N 3.31Å
235N97.4Very high97.6Very high28 Ų2861.1 Ų61.115%0.1537%0.37CS..PPolyproline II helixtrans-64.1155.3176.6-65.78.8000111.5G19 I24 D212 V230 R232G19-N235 WeakPolarHBondContact CA-OD1 3.33Å; G19-N235 PolarHBondContact O-ND2 2.88Å; G19-N235 PolarHBondContact O-OD1 3.26Å; I24-N235 HydrophobicContact CD1-CB 4.42Å; I24-N235 WeakPolarHBondContact CD1-OD1 3.48Å; D212-N235 WeakPolarHBondContact CB-ND2 3.42Å; V230-N235 PolarHBondContact O-ND2 2.94Å; R232-N235 PolarHBondContact N-ND2 2.73Å; R232-N235 WeakPolarHBondContact O-CB 3.49Å; R232-N235 PolarHBondContact O-N 2.96Å
236A95.8Very high97.5Very high84 Ų8462 Ų6269%0.69437%0.373SS*.PPolyproline II helixtrans-58.1143.6171.300000110.4
237G96Very high97.5Very high78 Ų7862.2 Ų62.280%0.80438%0.38SS*.PPolyproline II helixtrans-67.6135.4178.200000111.4
238L97.5Very high97.5Very high29 Ų2964.1 Ų64.115%0.15239%0.39CS..PPolyproline II helixtrans-80.5143.8170.4-56.8177.7000110.6T214 V229 V231 E242 K243 L248T214-L238 HydrophobicContact CG2-CD2 3.51Å; V229-L238 HydrophobicContact CG1-CD1 3.99Å; V229-L238 HydrophobicContact CG1-CD2 4.21Å; V231-L238 HydrophobicContact CG2-CD1 3.98Å; L238-E242 HydrophobicContact CB-CB 4.35Å; L238-K243 HydrophobicContact CB-CG 3.78Å; L238-K243 HydrophobicContact CD1-CG 4.29Å; L238-K243 WeakPolarHBondContact O-CE 3.37Å; L238-K243 PolarHBondContact O-NZ 2.93Å; L238-L248 HydrophobicContact CD1-CD1 4.07Å; L238-L248 HydrophobicContact CD1-CD2 3.71Å
239T97.8Very high97.5Very high75 Ų7564.1 Ų64.146%0.4639%0.39SS..PPolyproline II helixtrans-67.5161.8166.864.60000110.8D241 E242 K243T239-D241 VanDerWaalsContact C-N 3.29Å; T239-D241 PolarHBondContact O-N 3.04Å; T239-E242 WeakPolarHBondContact CB-OE2 3.48Å; T239-E242 WeakPolarHBondContact CG2-OE2 3.39Å; T239-E242 PolarHBondContact N-OE2 3.42Å; T239-E242 PolarHBondContact O-N 2.91Å; T239-E242 WeakPolarHBondContact OG1-CB 3.05Å; T239-E242 WeakPolarHBondContact OG1-CG 3.34Å; T239-E242 PolarHBondContact OG1-N 3.17Å; T239-E242 PolarHBondContact OG1-OE2 2.64Å; T239-K243 WeakPolarHBondContact O-CG 3.42Å; T239-K243 PolarHBondContact O-N 2.7Å
240D97.4Very high97.4Very high113 Ų11368.2 Ų68.260%0.60442%0.415SS*.Hα-helixtrans-69.1-30.1-179.3-64.3-26.1000112.5K243 T244D240-K243 IonicContact OD1-NZ 2.73Å; D240-K243 PolarHBondContact OD1-NZ 3.37Å; D240-T244 WeakPolarHBondContact O-CB 3.26Å; D240-T244 PolarHBondContact O-N 3.17Å; D240-T244 VanDerWaalsContact O-N 3.11Å; D240-T244 PolarHBondContact O-OG1 3.16Å
241D97.1Very high97.4Very high134 Ų13469.1 Ų69.172%0.71742%0.421SS*.Hα-helixtrans-66.3-46.3172.7-67.2-24.8000110.7T239 K243 T244 Y245T239-D241 VanDerWaalsContact C-N 3.29Å; T239-D241 PolarHBondContact O-N 3.04Å; D241-K243 VanDerWaalsContact C-N 3.34Å; D241-K243 PolarHBondContact O-N 3.46Å; D241-T244 PolarHBondContact O-N 3.2Å; D241-T244 VanDerWaalsContact O-N 3.12Å; D241-Y245 VanDerWaalsContact O-CB 3.29Å; D241-Y245 WeakPolarHBondContact O-CB 3.49Å; D241-Y245 PolarHBondContact O-N 3.25Å
242E97.9Very high97.4Very high46 Ų4666.5 Ų66.522%0.21541%0.405CS..Hα-helixtrans-61.9-40.1176.5-73164.7142.300112T214 L238 T239 T244 Y245 Y246T214-E242 WeakPolarHBondContact CB-OE1 3.44Å; T214-E242 HydrophobicContact CG2-CB 4.32Å; T214-E242 HydrophobicContact CG2-CG 4.07Å; T214-E242 WeakPolarHBondContact CG2-OE1 3.02Å; T214-E242 PolarHBondContact OG1-OE1 3.33Å; L238-E242 HydrophobicContact CB-CB 4.35Å; T239-E242 WeakPolarHBondContact CB-OE2 3.48Å; T239-E242 WeakPolarHBondContact CG2-OE2 3.39Å; T239-E242 PolarHBondContact N-OE2 3.42Å; T239-E242 PolarHBondContact O-N 2.91Å; T239-E242 WeakPolarHBondContact OG1-CB 3.05Å; T239-E242 WeakPolarHBondContact OG1-CG 3.34Å; T239-E242 PolarHBondContact OG1-N 3.17Å; T239-E242 PolarHBondContact OG1-OE2 2.64Å; E242-T244 PolarHBondContact O-N 2.72Å; E242-Y245 PolarHBondContact O-N 3.34Å; E242-Y246 HydrophobicContact CB-CD2 4.15Å; E242-Y246 HydrophobicContact CB-CE2 4.43Å; E242-Y246 HydrophobicContact CG-CD2 4.47Å; E242-Y246 HydrophobicContact CG-CE2 4.25Å; E242-Y246 PolarHBondContact O-N 3.19Å
243K96.3Very high97.4Very high98 Ų9870 Ų7043%0.42643%0.432SS..Hα-helixtrans-65.6-28.6176.1-68.9171.1-160.5146.50113.2L238 T239 D240 D241 L248L238-K243 HydrophobicContact CB-CG 3.78Å; L238-K243 HydrophobicContact CD1-CG 4.29Å; L238-K243 WeakPolarHBondContact O-CE 3.37Å; L238-K243 PolarHBondContact O-NZ 2.93Å; T239-K243 WeakPolarHBondContact O-CG 3.42Å; T239-K243 PolarHBondContact O-N 2.7Å; D240-K243 IonicContact OD1-NZ 2.73Å; D240-K243 PolarHBondContact OD1-NZ 3.37Å; D241-K243 VanDerWaalsContact C-N 3.34Å; D241-K243 PolarHBondContact O-N 3.46Å; K243-L248 HydrophobicContact CB-CD1 4.15Å; K243-L248 HydrophobicContact CG-CD1 4.1Å
244T96.3Very high97.3Very high124 Ų12465.8 Ų65.876%0.76140%0.403SS*.Hα-helixtrans-83.8-34.1179.4-55.90000111D240 D241 E242D240-T244 WeakPolarHBondContact O-CB 3.26Å; D240-T244 PolarHBondContact O-N 3.17Å; D240-T244 VanDerWaalsContact O-N 3.11Å; D240-T244 PolarHBondContact O-OG1 3.16Å; D241-T244 PolarHBondContact O-N 3.2Å; D241-T244 VanDerWaalsContact O-N 3.12Å; E242-T244 PolarHBondContact O-N 2.72Å
245Y97.2Very high97.4Very high149 Ų14963 Ų6358%0.58437%0.372SS*.Hα-helixtrans-81.5-52.1-176.4179.2-94.6000112.7E221 D241 E242E221-Y245 WeakPolarHBondContact OE2-CE1 3.48Å; E221-Y245 PolarHBondContact OE2-OH 3.44Å; D241-Y245 VanDerWaalsContact O-CB 3.29Å; D241-Y245 WeakPolarHBondContact O-CB 3.49Å; D241-Y245 PolarHBondContact O-N 3.25Å; E242-Y245 PolarHBondContact O-N 3.34Å
246Y97.9Very high97.2Very high25 Ų2568 Ų6810%0.09839%0.389CS..SBendtrans-81145.2-175.5-69.2-64.2000112.2T214 A217 S218 V229 E242 L248T214-Y246 HydrophobicContact CG2-CD2 4.06Å; T214-Y246 HydrophobicContact CG2-CE2 3.81Å; A217-Y246 HydrophobicContact CB-CD1 4.39Å; A217-Y246 HydrophobicContact CB-CE1 3.78Å; S218-Y246 PolarHBondContact N-OH 3.38Å; V229-Y246 HydrophobicContact CG2-CD1 4.01Å; V229-Y246 HydrophobicContact CG2-CD2 3.9Å; V229-Y246 HydrophobicContact CG2-CG 3.6Å; E242-Y246 HydrophobicContact CB-CD2 4.15Å; E242-Y246 HydrophobicContact CB-CE2 4.43Å; E242-Y246 HydrophobicContact CG-CD2 4.47Å; E242-Y246 HydrophobicContact CG-CE2 4.25Å; E242-Y246 PolarHBondContact O-N 3.19Å; Y246-L248 PolarHBondContact O-N 2.78Å
247S97.8Very high97Very high56 Ų5665 Ų6539%0.39236%0.362SS..PPolyproline II helixtrans-69.9118.7163.5-67.80000109.2L4 A228 V229L4-S247 WeakPolarHBondContact CD1-OG 3.28Å; A228-S247 CarbonylContact C-O 3.52Å; A228-S247 WeakPolarHBondContact CA-O 3.45Å; V229-S247 PolarHBondContact N-O 2.71Å
248L98Very high96.2Very high54 Ų5463.3 Ų63.328%0.28334%0.336SS..EExtended strand (participates in β ladder)trans-102.7139-178.3-51-174000111.1V229 V231 L238 K243 Y246V229-L248 HydrophobicContact CB-CD2 3.73Å; V229-L248 HydrophobicContact CG1-CD2 4.11Å; V229-L248 WeakPolarHBondContact O-CA 3.39Å; V231-L248 HydrophobicContact CG2-CB 4.46Å; V231-L248 HydrophobicContact CG2-CD1 4.44Å; L238-L248 HydrophobicContact CD1-CD1 4.07Å; L238-L248 HydrophobicContact CD1-CD2 3.71Å; K243-L248 HydrophobicContact CB-CD1 4.15Å; K243-L248 HydrophobicContact CG-CD1 4.1Å; Y246-L248 PolarHBondContact O-N 2.78Å
249I98.3Very high94.8Very high1 Ų166.2 Ų66.21%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-128.1141.2168.660.2173.7000110.7L4 L210 V229 V230 V231 F252 E254L4-I249 HydrophobicContact CB-CG2 4.08Å; L4-I249 HydrophobicContact CD2-CG2 4.16Å; L210-I249 HydrophobicContact CD1-CD1 4.19Å; L210-I249 HydrophobicContact CD2-CD1 4.23Å; V229-I249 PolarHBondContact O-N 3.21Å; V230-I249 WeakPolarHBondContact CA-O 3.37Å; V230-I249 HydrophobicContact CB-CG1 4.49Å; V230-I249 HydrophobicContact CG1-CG1 4.47Å; V230-I249 HydrophobicContact CG2-CD1 4.11Å; V230-I249 HydrophobicContact CG2-CG1 4.01Å; V231-I249 PolarHBondContact N-O 3.4Å; I249-F252 HydrophobicContact CD1-CD1 4.25Å; I249-E254 WeakPolarHBondContact CA-OE2 3.29Å; I249-E254 HydrophobicContact CB-CB 4.29Å; I249-E254 HydrophobicContact CG2-CB 4.02Å
250T98.2Very high92.9Very high86 Ų8667.5 Ų67.553%0.52837%0.371SS..SBendtrans-100.7-10.4174.353.40000113.7V231 R232 E254V231-T250 HydrophobicContact CB-CG2 4.13Å; R232-T250 PolarHBondContact NH1-O 3.33Å; R232-T250 VanDerWaalsContact NH1-O 3.16Å; T250-E254 PolarHBondContact N-OE1 2.97Å; T250-E254 PolarHBondContact N-OE2 3.01Å; T250-E254 VanDerWaalsContact N-OE2 3.1Å; T250-E254 PolarHBondContact OG1-OE1 2.93Å
251S98.4Very high90.4Very high21 Ų2172.1 Ų72.115%0.14740%0.404CS..SBendtrans-151.1143.2178.9172.60000109.6D134 S253 E254D134-S251 VanDerWaalsContact CB-OG 3.24Å; D134-S251 WeakPolarHBondContact CB-OG 3.43Å; D134-S251 PolarHBondContact OD2-OG 3.36Å; S251-S253 PolarHBondContact O-N 3.15Å; S251-S253 VanDerWaalsContact O-N 3.13Å; S251-S253 WeakPolarHBondContact OG-CB 3.43Å; S251-S253 PolarHBondContact OG-N 3.03Å; S251-S253 PolarHBondContact OG-OG 2.99Å; S251-E254 PolarHBondContact N-OE1 3.09Å; S251-E254 WeakPolarHBondContact O-CB 3.22Å; S251-E254 PolarHBondContact O-N 3.41Å
252F98.5Very high90.1Very high0 Ų069.1 Ų69.10%039%0.388CS..G310 helixtrans-62.6-19.2174.3-76.514.2000112.2L15 T20 T21 D134 V135 A138 V139 W142 L210 V230 I249 E254 L255L15-F252 HydrophobicContact CD1-CE2 4.08Å; L15-F252 HydrophobicContact CD2-CE2 3.83Å; L15-F252 HydrophobicContact CD2-CZ 3.83Å; T20-F252 HydrophobicContact CG2-CE1 4.14Å; T20-F252 HydrophobicContact CG2-CZ 3.91Å; T21-F252 HydrophobicContact CG2-CE2 3.78Å; T21-F252 HydrophobicContact CG2-CZ 3.69Å; D134-F252 WeakPolarHBondContact OD2-CB 3.43Å; D134-F252 PolarHBondContact OD2-N 3.17Å; V135-F252 HydrophobicContact CB-CD2 4.27Å; V135-F252 HydrophobicContact CB-CE2 4.43Å; V135-F252 HydrophobicContact CG1-CD2 4.15Å; V135-F252 HydrophobicContact CG1-CE2 3.97Å; V135-F252 HydrophobicContact CG2-CD2 4.11Å; V135-F252 HydrophobicContact CG2-CE2 4.1Å; A138-F252 HydrophobicContact CB-CB 3.46Å; A138-F252 VanDerWaalsContact CB-CB 3.46Å; A138-F252 HydrophobicContact CB-CD2 4.49Å; V139-F252 HydrophobicContact CG2-CD2 4.46Å; W142-F252 HydrophobicContact CH2-CB 3.79Å; W142-F252 HydrophobicContact CH2-CD1 4.44Å; W142-F252 AromaticContact CH2-CD2 3.3Å; W142-F252 HydrophobicContact CH2-CD2 3.3Å; W142-F252 AromaticContact CH2-CE2 3.89Å; W142-F252 HydrophobicContact CH2-CE2 3.89Å; W142-F252 AromaticContact CH2-CG 3.62Å; W142-F252 HydrophobicContact CH2-CG 3.62Å; W142-F252 HydrophobicContact CZ2-CB 3.85Å; W142-F252 HydrophobicContact CZ2-CD2 4.21Å; W142-F252 HydrophobicContact CZ2-CG 4.2Å; W142-F252 AromaticContact CZ3-CD2 3.8Å; W142-F252 HydrophobicContact CZ3-CD2 3.8Å; W142-F252 HydrophobicContact CZ3-CE2 4.09Å; L210-F252 HydrophobicContact CD1-CD1 4.29Å; L210-F252 HydrophobicContact CD1-CE1 3.93Å; L210-F252 HydrophobicContact CD1-CE2 4.49Å; L210-F252 HydrophobicContact CD1-CZ 4.04Å; V230-F252 HydrophobicContact CG1-CE1 4.17Å; V230-F252 HydrophobicContact CG2-CE1 4.17Å; I249-F252 HydrophobicContact CD1-CD1 4.25Å; F252-E254 PolarHBondContact O-N 3.41Å; F252-L255 WeakPolarHBondContact O-CB 3.23Å; F252-L255 PolarHBondContact O-N 3.09Å
253S96.9Very high89.7Confident88 Ų8870.3 Ų70.362%0.61540%0.397SS*.G310 helixtrans-66.5-15.4172.968.10000114.2S251S251-S253 PolarHBondContact O-N 3.15Å; S251-S253 VanDerWaalsContact O-N 3.13Å; S251-S253 WeakPolarHBondContact OG-CB 3.43Å; S251-S253 PolarHBondContact OG-N 3.03Å; S251-S253 PolarHBondContact OG-OG 2.99Å
254E97.5Very high89.3Confident23 Ų2368.7 Ų68.711%0.10740%0.395CS..G310 helixtrans-80-9.3178.2-65.6165.5-140.900112.6L4 I249 T250 S251 F252L4-E254 PolarHBondContact N-O 2.89Å; I249-E254 WeakPolarHBondContact CA-OE2 3.29Å; I249-E254 HydrophobicContact CB-CB 4.29Å; I249-E254 HydrophobicContact CG2-CB 4.02Å; T250-E254 PolarHBondContact N-OE1 2.97Å; T250-E254 PolarHBondContact N-OE2 3.01Å; T250-E254 VanDerWaalsContact N-OE2 3.1Å; T250-E254 PolarHBondContact OG1-OE1 2.93Å; S251-E254 PolarHBondContact N-OE1 3.09Å; S251-E254 WeakPolarHBondContact O-CB 3.22Å; S251-E254 PolarHBondContact O-N 3.41Å; F252-E254 PolarHBondContact O-N 3.41Å
255L96.4Very high88.9Confident12 Ų1265.5 Ų65.56%0.06337%0.374CS..EExtended strand (participates in β ladder)trans-84.9116.7177.2-161.269.3000111.1L4 V6 I13 W142 L208 F252 L257L4-L255 HydrophobicContact CB-CD1 4.32Å; L4-L255 HydrophobicContact CD2-CD1 4.06Å; L4-L255 HydrophobicContact CG-CD1 4.28Å; V6-L255 HydrophobicContact CG2-CD1 3.37Å; V6-L255 HydrophobicContact CG2-CD2 3.81Å; V6-L255 HydrophobicContact CG2-CG 3.42Å; V6-L255 VanDerWaalsContact CG2-CG 3.42Å; I13-L255 HydrophobicContact CD1-CD2 4.23Å; W142-L255 HydrophobicContact CH2-CD2 4.06Å; W142-L255 HydrophobicContact CZ2-CB 3.88Å; W142-L255 HydrophobicContact CZ2-CD2 3.49Å; W142-L255 VanDerWaalsContact CZ2-CD2 3.49Å; W142-L255 HydrophobicContact CZ2-CG 4.3Å; L208-L255 HydrophobicContact CD2-CD1 3.77Å; L208-L255 HydrophobicContact CD2-CD2 3.9Å; L208-L255 HydrophobicContact CD2-CG 4.42Å; F252-L255 WeakPolarHBondContact O-CB 3.23Å; F252-L255 PolarHBondContact O-N 3.09Å; L255-L257 HydrophobicContact CD2-CD2 4.41Å
256Y94.2Very high88.4Confident133 Ų13360.3 Ų60.352%0.52236%0.361SS..EExtended strand (participates in β ladder)trans-105.3118.3177.3-170.7-100.8000110.6L4 V6L4-Y256 PolarHBondContact O-N 3.11Å; V6-Y256 PolarHBondContact N-O 2.76Å
257L91.3Very high87.7Confident21 Ų2162.6 Ų62.611%0.1138%0.378CS..PPolyproline II helixtrans-77.8146.4178.1-57.8-173.4000110.7V6 W142 A145 M147 L255 S259V6-L257 HydrophobicContact CB-CD2 4.2Å; V6-L257 HydrophobicContact CG2-CD2 3.79Å; W142-L257 HydrophobicContact CB-CD1 3.98Å; W142-L257 HydrophobicContact CG-CD1 4.03Å; A145-L257 HydrophobicContact CB-CD1 3.57Å; M147-L257 HydrophobicContact CE-CB 4.37Å; M147-L257 HydrophobicContact CE-CD1 4.11Å; M147-L257 HydrophobicContact CE-CD2 3.84Å; M147-L257 HydrophobicContact CE-CG 4.32Å; M147-L257 HydrophobicContact CG-CD1 3.63Å; M147-L257 HydrophobicContact CG-CD2 4.3Å; L255-L257 HydrophobicContact CD2-CD2 4.41Å; L257-S259 PolarHBondContact O-N 3.15Å
258P79.4Confident87Confident42 Ų4263.1 Ų63.127%0.27338%0.377SS..PPolyproline II helixtrans-58.9139.1171.826.9-35.4000109.9S260P258-S260 PolarHBondContact O-N 3.48Å
259S67.8Low86.2Confident89 Ų8963.8 Ų63.862%0.62239%0.385SS*.PPolyproline II helixtrans-58.3127.6174.1-53.60000109.5L257 T261L257-S259 PolarHBondContact O-N 3.15Å; S259-T261 PolarHBondContact O-N 3.09Å
260S58.6Low85.2Confident102 Ų10269 Ų6971%0.71342%0.416SS*.  trans-57.1113.9172.6-41.30000108.8P258P258-S260 PolarHBondContact O-N 3.48Å
261T44.7Very low84Confident211 Ų21167.5 Ų67.5100%1.29441%0.406SS*.  trans-74.50170.247.30000111.4S259S259-T261 PolarHBondContact O-N 3.09Å

Retrieved 261 of 261 residues in 55.7 ms (Link to these results)

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