A0A060XBM2_ONCMY 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 , UniProt , Accession A0A060XBM2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110537069, 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
1M60.5Low88.2Confident146 Ų14666.7 Ų66.772%0.71939%0.391SS*.  0149.50-72.2-148.2-92.200108.4T250M1-T250 HydrophobicContact CE-CG2 3.11Å
2A75.4Confident89.1Confident82 Ų8261.3 Ų61.368%0.67836%0.36SS*.  trans-67.7157.5-178.800000111.3
3S86Confident89.8Confident63 Ų6356.6 Ų56.644%0.44133%0.332SS..  trans-67.5150.3166.748.10000110.1Q254S3-Q254 CarbonylContact C-O 3.46Å; S3-Q254 WeakPolarHBondContact CA-O 3.47Å; S3-Q254 WeakPolarHBondContact CB-O 3.34Å
4V91.4Very high90.4Very high16 Ų1652.6 Ų52.610%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-112.2121174177.20000107.1M208 N247 I249 Q254 L255 E256V4-M208 HydrophobicContact CG1-CE 4.38Å; V4-N247 HydrophobicContact CG1-CB 3.91Å; V4-N247 HydrophobicContact CG2-CB 4.13Å; V4-I249 HydrophobicContact CB-CG2 4.04Å; V4-I249 HydrophobicContact CG2-CG2 3.63Å; V4-Q254 PolarHBondContact N-O 3.17Å; V4-L255 HydrophobicContact CB-CD1 4.11Å; V4-L255 HydrophobicContact CG1-CD1 3.97Å; V4-L255 WeakPolarHBondContact O-CA 3.47Å; V4-E256 PolarHBondContact O-N 3.09Å
5S92.1Very high91Very high63 Ų6349.1 Ų49.144%0.44129%0.288SS..EExtended strand (participates in β ladder)trans-76.1133.9175.9-70.40000110.9N258S5-N258 VanDerWaalsContact CB-OD1 3.28Å; S5-N258 WeakPolarHBondContact CB-OD1 3.28Å; S5-N258 PolarHBondContact OG-OD1 3.03Å; S5-N258 VanDerWaalsContact OG-OD1 3.09Å
6I92.1Very high91.5Very high5 Ų546.4 Ų46.43%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-70.5130.2166.8-57.4-170.3000108.2E8 T10 L13 L147 M208 L255 E256 V257 N258I6-E8 PolarHBondContact O-N 3.37Å; I6-T10 HydrophobicContact CG2-CG2 3.64Å; I6-T10 VanDerWaalsContact CG2-OG1 3.29Å; I6-T10 WeakPolarHBondContact CG2-OG1 3.42Å; I6-L13 HydrophobicContact CD1-CD2 4.29Å; I6-L147 HydrophobicContact CD1-CD1 3.99Å; I6-M208 HydrophobicContact CB-SD 4.44Å; I6-M208 HydrophobicContact CG1-SD 4.14Å; I6-M208 HydrophobicContact CG2-SD 4.2Å; I6-L255 HydrophobicContact CD1-CD2 3.48Å; I6-L255 VanDerWaalsContact CD1-CD2 3.48Å; I6-L255 HydrophobicContact CD1-CG 3.64Å; I6-L255 HydrophobicContact CG1-CD1 3.85Å; I6-L255 HydrophobicContact CG1-CD2 3.73Å; I6-L255 HydrophobicContact CG1-CG 3.43Å; I6-L255 VanDerWaalsContact CG1-CG 3.43Å; I6-E256 WeakPolarHBondContact CG1-O 3.44Å; I6-E256 PolarHBondContact N-O 2.78Å; I6-V257 HydrophobicContact CD1-CG2 3.72Å; I6-N258 PolarHBondContact O-ND2 2.97Å
7P93.4Very high91.9Very high40 Ų4044.2 Ų44.226%0.2626%0.259SS..PPolyproline II helixtrans-52.6138174.2-25.633.6000111.9N9 T10 N226P7-N9 WeakPolarHBondContact CB-OD1 3.35Å; P7-N9 PolarHBondContact O-N 3.31Å; P7-N9 VanDerWaalsContact O-N 3.12Å; P7-T10 WeakPolarHBondContact CD-OG1 3.36Å; P7-T10 VanDerWaalsContact O-CB 3.23Å; P7-T10 WeakPolarHBondContact O-CB 3.4Å; P7-T10 PolarHBondContact O-N 3.01Å; P7-T10 PolarHBondContact O-OG1 3.22Å; P7-N226 HydrophobicContact CG-CB 4.25Å
8E91Very high92.1Very high175 Ų17545.2 Ų45.282%0.81826%0.261SS*.THydrogen-bonded Turntrans-59.4-28.8-171.8-67.8-176.5169.400114.1I6 T10 N258I6-E8 PolarHBondContact O-N 3.37Å; E8-T10 VanDerWaalsContact C-N 3.29Å; E8-N258 HydrophobicContact CG-CB 4.11Å
9N93.9Very high92.4Very high74 Ų7442.8 Ų42.840%0.39625%0.247SC..THydrogen-bonded Turntrans-840.317868.3-43.2000113.4P7 T11 E205 E206P7-N9 WeakPolarHBondContact CB-OD1 3.35Å; P7-N9 PolarHBondContact O-N 3.31Å; P7-N9 VanDerWaalsContact O-N 3.12Å; N9-T11 PolarHBondContact O-N 3.25Å; N9-E205 PolarHBondContact ND2-O 3.09Å; N9-E206 WeakPolarHBondContact O-CB 3.44Å; N9-E206 WeakPolarHBondContact O-CG 3.23Å
10T97.1Very high92.7Very high11 Ų1140.7 Ų40.77%0.06724%0.235CC..  trans-68.5124.1-179.3-550000110.2I6 P7 E8 A12 L147 E206 M208I6-T10 HydrophobicContact CG2-CG2 3.64Å; I6-T10 VanDerWaalsContact CG2-OG1 3.29Å; I6-T10 WeakPolarHBondContact CG2-OG1 3.42Å; P7-T10 WeakPolarHBondContact CD-OG1 3.36Å; P7-T10 VanDerWaalsContact O-CB 3.23Å; P7-T10 WeakPolarHBondContact O-CB 3.4Å; P7-T10 PolarHBondContact O-N 3.01Å; P7-T10 PolarHBondContact O-OG1 3.22Å; E8-T10 VanDerWaalsContact C-N 3.29Å; T10-A12 WeakPolarHBondContact CG2-O 3.47Å; T10-L147 HydrophobicContact CG2-CD2 4.4Å; T10-L147 WeakPolarHBondContact O-CD2 3.49Å; T10-E206 CarbonylContact C-O 3.55Å; T10-E206 VanDerWaalsContact CA-O 3.3Å; T10-E206 WeakPolarHBondContact CA-O 3.42Å; T10-E206 WeakPolarHBondContact CG2-O 3.47Å; T10-M208 HydrophobicContact CG2-CB 3.93Å
11T97.4Very high92.9Very high59 Ų5938.8 Ų38.836%0.36222%0.223SC..  trans-111.3-16.3176.261.90000112.5N9 K148 E206N9-T11 PolarHBondContact O-N 3.25Å; T11-K148 PolarHBondContact O-N 3.11Å; T11-E206 HydrophobicContact CG2-CB 4.4Å; T11-E206 VanDerWaalsContact CG2-OE2 3.23Å; T11-E206 WeakPolarHBondContact CG2-OE2 3.31Å; T11-E206 PolarHBondContact N-O 3.37Å; T11-E206 PolarHBondContact OG1-OE2 3.32Å
12A98.3Very high94.7Very high2 Ų231.8 Ų31.82%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-145145.7-179.700000114.1T10 K148 Y150 M200 E206 I207 M208T10-A12 WeakPolarHBondContact CG2-O 3.47Å; A12-K148 CarbonylContact C-O 3.48Å; A12-K148 VanDerWaalsContact CA-O 3.32Å; A12-K148 WeakPolarHBondContact CA-O 3.47Å; A12-K148 HydrophobicContact CB-CB 4.14Å; A12-Y150 HydrophobicContact CB-CD2 4.33Å; A12-Y150 HydrophobicContact CB-CE2 4.29Å; A12-M200 HydrophobicContact CB-CE 3.21Å; A12-E206 PolarHBondContact N-O 3.12Å; A12-I207 WeakPolarHBondContact O-CA 3.41Å; A12-M208 PolarHBondContact O-N 3.38Å
13L98.6Very high95.8Very high0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-104.3130.1170.3-66.1169.8000109.8I6 L15 W142 L147 K148 V149 Y150 M208 L255I6-L13 HydrophobicContact CD1-CD2 4.29Å; L13-L15 HydrophobicContact CB-CD2 4.31Å; L13-W142 HydrophobicContact CD1-CB 3.94Å; L13-W142 HydrophobicContact CD1-CD2 3.26Å; L13-W142 HydrophobicContact CD1-CE3 3.15Å; L13-W142 HydrophobicContact CD1-CG 3.63Å; L13-W142 HydrophobicContact CD1-CH2 4.25Å; L13-W142 HydrophobicContact CD1-CZ2 4.38Å; L13-W142 HydrophobicContact CD1-CZ3 3.69Å; L13-L147 HydrophobicContact CD1-CD1 4.11Å; L13-L147 HydrophobicContact CG-CD1 4.42Å; L13-K148 PolarHBondContact N-O 2.74Å; L13-V149 HydrophobicContact CB-CG2 4.44Å; L13-V149 CarbonylContact O-C 3.44Å; L13-V149 WeakPolarHBondContact O-CA 3.43Å; L13-Y150 PolarHBondContact O-N 3.1Å; L13-M208 WeakPolarHBondContact CA-O 3.36Å; L13-M208 HydrophobicContact CD2-CB 3.87Å; L13-M208 HydrophobicContact CD2-CG 4.19Å; L13-M208 HydrophobicContact CD2-SD 4.46Å; L13-L255 HydrophobicContact CD2-CD2 4.17Å
14L98.9Very high96.1Very high1 Ų127.5 Ų27.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-106.9127.1170.8-171.467.5000107.8Y152 F180 Y193 I196 I207 M208 F209 L210L14-Y152 HydrophobicContact CD2-CD1 4.28Å; L14-F180 HydrophobicContact CD1-CD2 4.11Å; L14-F180 HydrophobicContact CD1-CE2 4.49Å; L14-Y193 HydrophobicContact CD2-CD1 4.19Å; L14-Y193 HydrophobicContact CD2-CE1 4.31Å; L14-I196 HydrophobicContact CD1-CG2 4.22Å; L14-I196 HydrophobicContact CD2-CD1 4.16Å; L14-I196 HydrophobicContact CD2-CG2 4.09Å; L14-I207 HydrophobicContact CB-CG2 3.89Å; L14-M208 PolarHBondContact N-O 3.46Å; L14-F209 HydrophobicContact CB-CB 4.34Å; L14-F209 HydrophobicContact CB-CD2 3.82Å; L14-F209 HydrophobicContact CD2-CD2 3.72Å; L14-F209 HydrophobicContact CD2-CE2 4.21Å; L14-F209 HydrophobicContact CD2-CG 4.29Å; L14-F209 HydrophobicContact CG-CD2 3.67Å; L14-F209 HydrophobicContact CG-CE2 4.15Å; L14-F209 CarbonylContact O-C 3.58Å; L14-F209 VanDerWaalsContact O-CA 3.3Å; L14-F209 WeakPolarHBondContact O-CA 3.13Å; L14-F209 VanDerWaalsContact O-CD2 3.29Å; L14-F209 WeakPolarHBondContact O-CD2 3.44Å; L14-L210 PolarHBondContact O-N 2.95Å
15L98.9Very high96.2Very high0 Ų029.9 Ų29.90%017%0.165CC..EExtended strand (participates in β ladder)trans-120.4133.6-173.4-51.3179.6000110.8L13 T21 I139 W142 V149 Y150 I151 Y152 F176 L210 F252L13-L15 HydrophobicContact CB-CD2 4.31Å; L15-T21 HydrophobicContact CB-CG2 4.32Å; L15-T21 HydrophobicContact CD1-CG2 4.27Å; L15-I139 HydrophobicContact CD1-CD1 3.81Å; L15-I139 HydrophobicContact CD1-CG1 4.13Å; L15-W142 HydrophobicContact CD2-CZ3 4.38Å; L15-V149 HydrophobicContact CD1-CG1 3.5Å; L15-V149 VanDerWaalsContact CD1-CG1 3.5Å; L15-V149 HydrophobicContact CG-CG1 4.04Å; L15-Y150 PolarHBondContact N-O 3.39Å; L15-I151 HydrophobicContact CB-CD1 3.9Å; L15-I151 HydrophobicContact CD1-CD1 4.41Å; L15-I151 CarbonylContact O-C 3.53Å; L15-I151 WeakPolarHBondContact O-CA 3.28Å; L15-Y152 PolarHBondContact O-N 3.23Å; L15-F176 HydrophobicContact CD1-CE1 4.4Å; L15-L210 HydrophobicContact CD2-CB 3.94Å; L15-L210 HydrophobicContact CD2-CD1 3.59Å; L15-L210 HydrophobicContact CD2-CG 3.85Å; L15-F252 HydrophobicContact CD1-CE2 4.17Å; L15-F252 HydrophobicContact CD2-CE2 4.23Å; L15-F252 HydrophobicContact CD2-CZ 4.24Å
16D98.6Very high96.3Very high5 Ų527.1 Ų27.13%0.02715%0.145CC..  trans-75.6164.6161.7-165.113.4000111.9T20 T21 K187 F209 L210 T211D16-T20 HydrophobicContact CB-CG2 4.21Å; D16-T20 WeakPolarHBondContact O-CG2 3.5Å; D16-T21 WeakPolarHBondContact O-CG2 3.32Å; D16-T21 PolarHBondContact O-OG1 2.86Å; D16-K187 IonicContact OD1-NZ 2.77Å; D16-K187 PolarHBondContact OD1-NZ 3.36Å; D16-K187 IonicContact OD2-NZ 2.81Å; D16-K187 PolarHBondContact OD2-NZ 2.99Å; D16-F209 HydrophobicContact CB-CE2 4.37Å; D16-F209 HydrophobicContact CB-CZ 4.46Å; D16-L210 WeakPolarHBondContact CB-O 3.47Å; D16-L210 PolarHBondContact N-O 2.94Å; D16-T211 PolarHBondContact OD2-OG1 2.93Å
17I98.1Very high96.1Very high9 Ų927.7 Ų27.75%0.04615%0.148CC..SBendtrans-97.1-75177.7-63.4-177000111.5G19 T20 T21 T22 I151 Q160 L163 F164I17-G19 PolarHBondContact O-N 3.47Å; I17-T20 PolarHBondContact O-N 3.24Å; I17-T20 VanDerWaalsContact O-N 3.15Å; I17-T21 WeakPolarHBondContact CA-OG1 3.17Å; I17-T21 PolarHBondContact O-N 3.41Å; I17-T21 PolarHBondContact O-OG1 2.87Å; I17-T22 PolarHBondContact O-N 2.7Å; I17-I151 HydrophobicContact CD1-CG2 3.74Å; I17-I151 HydrophobicContact CG1-CG2 3.73Å; I17-Q160 HydrophobicContact CD1-CB 4.11Å; I17-Q160 HydrophobicContact CD1-CG 3.67Å; I17-L163 HydrophobicContact CD1-CD2 4.09Å; I17-L163 HydrophobicContact CG2-CD2 3.46Å; I17-L163 VanDerWaalsContact CG2-CD2 3.46Å; I17-F164 HydrophobicContact CD1-CE2 3.88Å; I17-F164 HydrophobicContact CD1-CZ 4.39Å; I17-F164 HydrophobicContact CG1-CE2 4.12Å; I17-F164 HydrophobicContact CG1-CZ 4.18Å
18E96Very high95.9Very high63 Ų6332.6 Ų32.629%0.29417%0.165SC..BIsolated β-bridgetrans-66.8130.5-170.7-169.6175.3-166.700109.4T20 I24 V27E18-T20 PolarHBondContact O-N 3.04Å; E18-T20 VanDerWaalsContact O-N 3.07Å; E18-I24 HydrophobicContact CG-CB 4.18Å; E18-I24 HydrophobicContact CG-CG1 3.83Å; E18-I24 WeakPolarHBondContact OE1-CG1 3.48Å; E18-V27 HydrophobicContact CB-CG2 4.19Å; E18-V27 HydrophobicContact CG-CB 4.12Å; E18-V27 HydrophobicContact CG-CG2 3.87Å; E18-V27 WeakPolarHBondContact OE1-CB 3.44Å
19G96.9Very high95.9Very high0 Ų028.5 Ų28.50%015%0.149CC..THydrogen-bonded Turntrans71.9-3.8-17700000115.2I17 T22 R232 N235I17-G19 PolarHBondContact O-N 3.47Å; G19-T22 PolarHBondContact N-O 3.4Å; G19-R232 WeakPolarHBondContact O-CB 3.18Å; G19-R232 WeakPolarHBondContact O-CG 3.43Å; G19-N235 VanDerWaalsContact CA-OD1 3.27Å; G19-N235 WeakPolarHBondContact CA-OD1 3.47Å; G19-N235 PolarHBondContact O-ND2 3.08Å
20T98.4Very high96Very high0 Ų028.4 Ų28.40%015%0.148CC..THydrogen-bonded Turntrans-119.8-66.2-175-67.30000112.9D16 I17 E18 L210 T211 D212 V230 R232 F252D16-T20 HydrophobicContact CB-CG2 4.21Å; D16-T20 WeakPolarHBondContact O-CG2 3.5Å; I17-T20 PolarHBondContact O-N 3.24Å; I17-T20 VanDerWaalsContact O-N 3.15Å; E18-T20 PolarHBondContact O-N 3.04Å; E18-T20 VanDerWaalsContact O-N 3.07Å; T20-L210 HydrophobicContact CG2-CB 4.29Å; T20-T211 WeakPolarHBondContact OG1-CA 3.34Å; T20-D212 PolarHBondContact OG1-N 3.24Å; T20-D212 VanDerWaalsContact OG1-N 3.13Å; T20-V230 HydrophobicContact CG2-CB 4.27Å; T20-V230 HydrophobicContact CG2-CG2 3.88Å; T20-R232 PolarHBondContact O-NE 3.29Å; T20-R232 PolarHBondContact O-NH2 3.43Å; T20-F252 HydrophobicContact CG2-CE1 4.08Å; T20-F252 HydrophobicContact CG2-CZ 3.83Å
21T98.4Very high95.7Very high0 Ų028.9 Ų28.90%015%0.15CC..THydrogen-bonded Turntrans-96.2-24.4173.9560000112.4L15 D16 I17 V131 Y132 V135 F252L15-T21 HydrophobicContact CB-CG2 4.32Å; L15-T21 HydrophobicContact CD1-CG2 4.27Å; D16-T21 WeakPolarHBondContact O-CG2 3.32Å; D16-T21 PolarHBondContact O-OG1 2.86Å; I17-T21 WeakPolarHBondContact CA-OG1 3.17Å; I17-T21 PolarHBondContact O-N 3.41Å; I17-T21 PolarHBondContact O-OG1 2.87Å; T21-V131 CarbonylContact O-C 3.57Å; T21-V131 WeakPolarHBondContact O-CA 3.34Å; T21-Y132 WeakPolarHBondContact O-CD2 3.14Å; T21-Y132 PolarHBondContact O-N 3.44Å; T21-V135 HydrophobicContact CG2-CG1 3.83Å; T21-V135 HydrophobicContact CG2-CG2 4.31Å; T21-F252 HydrophobicContact CG2-CE2 3.84Å; T21-F252 HydrophobicContact CG2-CZ 3.8Å
22T98Very high95.4Very high0 Ų029.8 Ų29.80%015%0.149CC..BIsolated β-bridgetrans-129.7138.5-172.9-58.80000109.5I17 G19 I24 F26 E130I17-T22 PolarHBondContact O-N 2.7Å; G19-T22 PolarHBondContact N-O 3.4Å; T22-I24 PolarHBondContact O-N 3.41Å; T22-F26 HydrophobicContact CG2-CB 3.97Å; T22-F26 HydrophobicContact CG2-CD1 3.65Å; T22-F26 HydrophobicContact CG2-CG 4.12Å; T22-E130 WeakPolarHBondContact CB-O 3.36Å; T22-E130 WeakPolarHBondContact CG2-O 3.46Å; T22-E130 PolarHBondContact OG1-O 2.97Å; T22-E130 VanDerWaalsContact OG1-O 3.12Å
23P97.4Very high95.3Very high7 Ų731.4 Ų31.45%0.04516%0.159CC..  trans-58.6138.5176.3-22.732.4000113.3T25 F26 E130 Y132P23-T25 PolarHBondContact O-N 2.9Å; P23-F26 HydrophobicContact CB-CB 4.46Å; P23-F26 WeakPolarHBondContact O-CB 3.23Å; P23-F26 PolarHBondContact O-N 3.18Å; P23-E130 HydrophobicContact CG-CG 4.05Å; P23-Y132 VanDerWaalsContact CA-OH 3.25Å; P23-Y132 WeakPolarHBondContact CA-OH 3.29Å; P23-Y132 HydrophobicContact CB-CE1 4.44Å; P23-Y132 HydrophobicContact CG-CD1 4.37Å; P23-Y132 HydrophobicContact CG-CE1 3.76Å; P23-Y132 HydrophobicContact CG-CE2 4.2Å
24I93.2Very high95.2Very high47 Ų4732.6 Ų32.624%0.24116%0.164CC..Hα-helixtrans-57.6-33.2174.7-164.9164.6000111.9E18 T22 F26 V27 K28E18-I24 HydrophobicContact CG-CB 4.18Å; E18-I24 HydrophobicContact CG-CG1 3.83Å; E18-I24 WeakPolarHBondContact OE1-CG1 3.48Å; T22-I24 PolarHBondContact O-N 3.41Å; I24-F26 VanDerWaalsContact C-N 3.31Å; I24-F26 PolarHBondContact O-N 3.42Å; I24-V27 PolarHBondContact O-N 2.76Å; I24-K28 WeakPolarHBondContact O-CB 3.28Å; I24-K28 PolarHBondContact O-N 3.07Å
25T93.6Very high95Very high67 Ų6732.5 Ų32.541%0.41116%0.163SC..Hα-helixtrans-65.8-31.1176.152.10000112.5P23 D29P23-T25 PolarHBondContact O-N 2.9Å; T25-D29 WeakPolarHBondContact CB-OD2 3.3Å; T25-D29 WeakPolarHBondContact O-CA 3.47Å; T25-D29 WeakPolarHBondContact O-CB 3.45Å; T25-D29 PolarHBondContact O-N 3.14Å
26F94.5Very high94.8Very high5 Ų537.5 Ų37.52%0.02219%0.185CC..Hα-helixtrans-65-43.8176.9179-99.7000111T22 P23 I24 I30 L31 I127 K128 E130 L163T22-F26 HydrophobicContact CG2-CB 3.97Å; T22-F26 HydrophobicContact CG2-CD1 3.65Å; T22-F26 HydrophobicContact CG2-CG 4.12Å; P23-F26 HydrophobicContact CB-CB 4.46Å; P23-F26 WeakPolarHBondContact O-CB 3.23Å; P23-F26 PolarHBondContact O-N 3.18Å; I24-F26 VanDerWaalsContact C-N 3.31Å; I24-F26 PolarHBondContact O-N 3.42Å; F26-I30 HydrophobicContact CD2-CB 4.15Å; F26-I30 HydrophobicContact CD2-CD1 3.62Å; F26-I30 HydrophobicContact CD2-CG1 4.44Å; F26-I30 HydrophobicContact CD2-CG2 4.34Å; F26-I30 HydrophobicContact CE2-CB 4.29Å; F26-I30 HydrophobicContact CE2-CD1 4.12Å; F26-I30 HydrophobicContact CE2-CG2 3.98Å; F26-I30 WeakPolarHBondContact O-CA 3.46Å; F26-I30 VanDerWaalsContact O-CB 3.26Å; F26-I30 WeakPolarHBondContact O-CB 3.3Å; F26-I30 PolarHBondContact O-N 2.82Å; F26-I30 VanDerWaalsContact O-N 3.14Å; F26-L31 HydrophobicContact CD1-CD1 4.1Å; F26-L31 HydrophobicContact CD1-CG 4.01Å; F26-L31 HydrophobicContact CE1-CD1 3.73Å; F26-L31 HydrophobicContact CE1-CD2 3.66Å; F26-L31 HydrophobicContact CE1-CG 3.57Å; F26-L31 HydrophobicContact CZ-CD2 3.8Å; F26-L31 HydrophobicContact CZ-CG 4.12Å; F26-L31 PolarHBondContact O-N 3.25Å; F26-I127 HydrophobicContact CE2-CG2 4.23Å; F26-I127 HydrophobicContact CZ-CG2 3.79Å; F26-K128 WeakPolarHBondContact CE2-O 3.42Å; F26-K128 WeakPolarHBondContact CZ-O 3.14Å; F26-E130 HydrophobicContact CB-CB 4.09Å; F26-E130 HydrophobicContact CD1-CB 4.31Å; F26-E130 HydrophobicContact CD2-CB 3.43Å; F26-E130 VanDerWaalsContact CD2-CB 3.43Å; F26-E130 HydrophobicContact CE2-CB 3.92Å; F26-E130 HydrophobicContact CG-CB 3.68Å; F26-L163 HydrophobicContact CD1-CD1 4.11Å; F26-L163 HydrophobicContact CE1-CD1 3.44Å; F26-L163 VanDerWaalsContact CE1-CD1 3.44Å; F26-L163 HydrophobicContact CZ-CD1 4.27Å
27V88.1Confident94.7Very high16 Ų1643.1 Ų43.110%0.09722%0.215CC..Iπ-helixtrans-67.9-50.5178179.10000110.4E18 I24 L31 F32E18-V27 HydrophobicContact CB-CG2 4.19Å; E18-V27 HydrophobicContact CG-CB 4.12Å; E18-V27 HydrophobicContact CG-CG2 3.87Å; E18-V27 WeakPolarHBondContact OE1-CB 3.44Å; I24-V27 PolarHBondContact O-N 2.76Å; V27-L31 HydrophobicContact CG2-CD1 4.36Å; V27-L31 PolarHBondContact O-N 3.09Å; V27-F32 HydrophobicContact CG1-CD2 3.87Å; V27-F32 HydrophobicContact CG1-CE2 3.57Å; V27-F32 WeakPolarHBondContact O-CD2 3.48Å; V27-F32 PolarHBondContact O-N 2.81Å
28K88Confident94.7Very high143 Ų14345.3 Ų45.362%0.62223%0.225SC*.Iπ-helixtrans-72.3-40.1-173.7-174.9-173.6169.8-172.40114.1I24 P33I24-K28 WeakPolarHBondContact O-CB 3.28Å; I24-K28 PolarHBondContact O-N 3.07Å; K28-P33 WeakPolarHBondContact O-CD 3.32Å; K28-P33 VanDerWaalsContact O-CG 3.27Å; K28-P33 WeakPolarHBondContact O-CG 3.43Å
29D92.4Very high94.7Very high89 Ų8942.3 Ų42.348%0.47621%0.211SC..Iπ-helixtrans-106.6-11.7-168.4-50.2-35.6000112.6T25 P33T25-D29 WeakPolarHBondContact CB-OD2 3.3Å; T25-D29 WeakPolarHBondContact O-CA 3.47Å; T25-D29 WeakPolarHBondContact O-CB 3.45Å; T25-D29 PolarHBondContact O-N 3.14Å; D29-P33 WeakPolarHBondContact O-CG 3.34Å
30I94.3Very high94.7Very high73 Ų7348 Ų4837%0.37424%0.238SC..Iπ-helixtrans-119.7-60.5177.9-60.3169000111.4F26 Y34 I127F26-I30 HydrophobicContact CD2-CB 4.15Å; F26-I30 HydrophobicContact CD2-CD1 3.62Å; F26-I30 HydrophobicContact CD2-CG1 4.44Å; F26-I30 HydrophobicContact CD2-CG2 4.34Å; F26-I30 HydrophobicContact CE2-CB 4.29Å; F26-I30 HydrophobicContact CE2-CD1 4.12Å; F26-I30 HydrophobicContact CE2-CG2 3.98Å; F26-I30 WeakPolarHBondContact O-CA 3.46Å; F26-I30 VanDerWaalsContact O-CB 3.26Å; F26-I30 WeakPolarHBondContact O-CB 3.3Å; F26-I30 PolarHBondContact O-N 2.82Å; F26-I30 VanDerWaalsContact O-N 3.14Å; I30-Y34 VanDerWaalsContact O-CB 3.23Å; I30-Y34 WeakPolarHBondContact O-CB 3.37Å; I30-Y34 PolarHBondContact O-N 3.47Å; I30-I127 HydrophobicContact CG2-CG2 4.39Å
31L92.4Very high94.6Very high20 Ų2053.2 Ų53.211%0.10526%0.262CS..Iπ-helixtrans-64.5-51.6-171.7-68.1-175.2000113.7F26 V27 W118 Y122 I127F26-L31 HydrophobicContact CD1-CD1 4.1Å; F26-L31 HydrophobicContact CD1-CG 4.01Å; F26-L31 HydrophobicContact CE1-CD1 3.73Å; F26-L31 HydrophobicContact CE1-CD2 3.66Å; F26-L31 HydrophobicContact CE1-CG 3.57Å; F26-L31 HydrophobicContact CZ-CD2 3.8Å; F26-L31 HydrophobicContact CZ-CG 4.12Å; F26-L31 PolarHBondContact O-N 3.25Å; V27-L31 HydrophobicContact CG2-CD1 4.36Å; V27-L31 PolarHBondContact O-N 3.09Å; L31-W118 HydrophobicContact CB-CZ2 4.16Å; L31-W118 PolarHBondContact O-NE1 3.35Å; L31-Y122 WeakPolarHBondContact CD2-OH 3.29Å; L31-I127 HydrophobicContact CD2-CD1 4.35Å; L31-I127 HydrophobicContact CD2-CG2 4.02Å
32F91.1Very high94.5Very high79 Ų7954.3 Ų54.335%0.34627%0.266SS..Hα-helixtrans-72.1-41-179.6-74.8-66.3000113.1V27 Y34 I35 K36 M101 W118V27-F32 HydrophobicContact CG1-CD2 3.87Å; V27-F32 HydrophobicContact CG1-CE2 3.57Å; V27-F32 WeakPolarHBondContact O-CD2 3.48Å; V27-F32 PolarHBondContact O-N 2.81Å; F32-Y34 VanDerWaalsContact C-N 3.32Å; F32-Y34 PolarHBondContact O-N 2.9Å; F32-I35 PolarHBondContact O-N 2.85Å; F32-K36 PolarHBondContact O-N 2.91Å; F32-M101 HydrophobicContact CB-CE 4.29Å; F32-M101 HydrophobicContact CD1-CE 4.04Å; F32-M101 WeakPolarHBondContact O-CE 3.42Å; F32-W118 HydrophobicContact CD1-CZ2 4.36Å; F32-W118 HydrophobicContact CE1-CH2 4.23Å; F32-W118 HydrophobicContact CE1-CZ2 4.4Å
33P95.2Very high94.5Very high35 Ų3554.3 Ų54.323%0.22727%0.266CS..Hα-helixtrans-60.1-38.9172.9-30.641.1000113.1K28 D29 I35 K36 D37K28-P33 WeakPolarHBondContact O-CD 3.32Å; K28-P33 VanDerWaalsContact O-CG 3.27Å; K28-P33 WeakPolarHBondContact O-CG 3.43Å; D29-P33 WeakPolarHBondContact O-CG 3.34Å; P33-I35 VanDerWaalsContact C-N 3.25Å; P33-I35 PolarHBondContact O-N 2.82Å; P33-K36 WeakPolarHBondContact O-CA 3.4Å; P33-K36 WeakPolarHBondContact O-CB 3.27Å; P33-K36 PolarHBondContact O-N 3.28Å; P33-D37 PolarHBondContact O-N 3.21Å
34Y96.6Very high94.4Very high25 Ų2557.1 Ų57.110%0.09829%0.286CS..Hα-helixtrans-55.7-41.3176-177.1-85.6000112.4I30 F32 D37 H38 A121 R126 I127I30-Y34 VanDerWaalsContact O-CB 3.23Å; I30-Y34 WeakPolarHBondContact O-CB 3.37Å; I30-Y34 PolarHBondContact O-N 3.47Å; F32-Y34 VanDerWaalsContact C-N 3.32Å; F32-Y34 PolarHBondContact O-N 2.9Å; Y34-D37 PolarHBondContact O-N 2.91Å; Y34-H38 AromaticContact CD2-CD2 3.35Å; Y34-H38 WeakPolarHBondContact CD2-CD2 3.21Å; Y34-H38 AromaticContact CD2-NE2 3.7Å; Y34-H38 HydrophobicContact CE1-CB 4.18Å; Y34-H38 AromaticContact CE1-CD2 4Å; Y34-H38 AromaticContact CE2-CD2 3.29Å; Y34-H38 WeakPolarHBondContact CE2-CD2 3.48Å; Y34-H38 AromaticContact CE2-NE2 3.5Å; Y34-H38 AromaticContact CG-CD2 3.75Å; Y34-H38 AromaticContact CZ-CD2 3.61Å; Y34-H38 AromaticContact CZ-CG 3.96Å; Y34-H38 WeakPolarHBondContact O-CB 3.31Å; Y34-H38 PolarHBondContact O-CD2 3.4Å; Y34-H38 VanDerWaalsContact O-CD2 3.29Å; Y34-H38 PolarHBondContact O-N 3.21Å; Y34-H38 VanDerWaalsContact O-N 3.09Å; Y34-A121 HydrophobicContact CD1-CB 4.21Å; Y34-A121 HydrophobicContact CE1-CB 3.42Å; Y34-A121 VanDerWaalsContact CE1-CB 3.42Å; Y34-A121 HydrophobicContact CE2-CB 4.09Å; Y34-A121 VanDerWaalsContact OH-CB 3.31Å; Y34-A121 WeakPolarHBondContact OH-CB 3.23Å; Y34-R126 HydrophobicContact CE2-CB 4.24Å; Y34-R126 WeakPolarHBondContact OH-CD 3.12Å; Y34-R126 PolarHBondContact OH-NH1 3.24Å; Y34-I127 HydrophobicContact CD1-CD1 3.8Å; Y34-I127 HydrophobicContact CD2-CD1 3.66Å; Y34-I127 HydrophobicContact CD2-CG1 3.89Å; Y34-I127 HydrophobicContact CE1-CD1 4.23Å; Y34-I127 HydrophobicContact CE2-CD1 4.08Å; Y34-I127 HydrophobicContact CE2-CG1 4.1Å; Y34-I127 HydrophobicContact CG-CD1 3.51Å; Y34-I127 HydrophobicContact CG-CG1 4.27Å
35I95.7Very high94.5Very high0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-60.4-48.6175.2-60.3-61.8000109.9F32 P33 D37 H38 L39 M101 Q114 M117 W118F32-I35 PolarHBondContact O-N 2.85Å; P33-I35 VanDerWaalsContact C-N 3.25Å; P33-I35 PolarHBondContact O-N 2.82Å; I35-D37 VanDerWaalsContact C-N 3.31Å; I35-D37 PolarHBondContact O-N 3.25Å; I35-H38 PolarHBondContact O-N 2.85Å; I35-L39 WeakPolarHBondContact O-CA 3.46Å; I35-L39 WeakPolarHBondContact O-CB 3.48Å; I35-L39 PolarHBondContact O-N 3.03Å; I35-M101 HydrophobicContact CB-CE 4Å; I35-M101 HydrophobicContact CB-SD 4.27Å; I35-M101 HydrophobicContact CG2-CE 4.05Å; I35-M101 HydrophobicContact CG2-SD 3.64Å; I35-Q114 HydrophobicContact CD1-CB 4.29Å; I35-Q114 HydrophobicContact CD1-CG 4.3Å; I35-Q114 HydrophobicContact CG1-CG 4.19Å; I35-Q114 HydrophobicContact CG2-CG 4.25Å; I35-M117 HydrophobicContact CB-CE 4.46Å; I35-M117 HydrophobicContact CD1-CB 3.59Å; I35-M117 HydrophobicContact CD1-CE 3.9Å; I35-M117 HydrophobicContact CD1-CG 4.34Å; I35-M117 HydrophobicContact CD1-SD 3.86Å; I35-M117 HydrophobicContact CG2-CE 4.15Å; I35-M117 HydrophobicContact CG2-SD 4.06Å; I35-W118 HydrophobicContact CD1-CD2 4.29Å; I35-W118 HydrophobicContact CD1-CG 4.33Å; I35-W118 HydrophobicContact CD1-CZ2 4.35Å; I35-W118 HydrophobicContact CG1-CZ2 3.92Å
36K94.8Very high94.7Very high104 Ų10457.3 Ų57.345%0.45229%0.294SS..Hα-helixtrans-60.1-42.2-178.5-62-179.3-179176.90112.4F32 P33 L98 M101F32-K36 PolarHBondContact O-N 2.91Å; P33-K36 WeakPolarHBondContact O-CA 3.4Å; P33-K36 WeakPolarHBondContact O-CB 3.27Å; P33-K36 PolarHBondContact O-N 3.28Å; K36-L98 HydrophobicContact CB-CD2 3.99Å; K36-L98 HydrophobicContact CG-CD2 3.83Å; K36-M101 HydrophobicContact CD-CE 4.37Å; K36-M101 HydrophobicContact CG-CE 3.65Å; K36-M101 HydrophobicContact CG-SD 4.31Å
37D96.3Very high94.7Very high124 Ų12458.7 Ų58.766%0.66330%0.299SS*.Hα-helixtrans-78.9-24.1-172.4-63.3-16.8000112.9P33 Y34 I35P33-D37 PolarHBondContact O-N 3.21Å; Y34-D37 PolarHBondContact O-N 2.91Å; I35-D37 VanDerWaalsContact C-N 3.31Å; I35-D37 PolarHBondContact O-N 3.25Å
38H97.2Very high95.1Very high54 Ų5463.8 Ų63.825%0.2532%0.321CS..Hα-helixtrans-116.11.1-175.4-64.9-74.8000114.7Y34 I35 E41 Y42 M117Y34-H38 AromaticContact CD2-CD2 3.35Å; Y34-H38 WeakPolarHBondContact CD2-CD2 3.21Å; Y34-H38 AromaticContact CD2-NE2 3.7Å; Y34-H38 HydrophobicContact CE1-CB 4.18Å; Y34-H38 AromaticContact CE1-CD2 4Å; Y34-H38 AromaticContact CE2-CD2 3.29Å; Y34-H38 WeakPolarHBondContact CE2-CD2 3.48Å; Y34-H38 AromaticContact CE2-NE2 3.5Å; Y34-H38 AromaticContact CG-CD2 3.75Å; Y34-H38 AromaticContact CZ-CD2 3.61Å; Y34-H38 AromaticContact CZ-CG 3.96Å; Y34-H38 WeakPolarHBondContact O-CB 3.31Å; Y34-H38 PolarHBondContact O-CD2 3.4Å; Y34-H38 VanDerWaalsContact O-CD2 3.29Å; Y34-H38 PolarHBondContact O-N 3.21Å; Y34-H38 VanDerWaalsContact O-N 3.09Å; I35-H38 PolarHBondContact O-N 2.85Å; H38-E41 IonicContact ND1-OE2 3.28Å; H38-E41 PolarHBondContact ND1-OE2 2.85Å; H38-Y42 WeakPolarHBondContact O-CB 3.36Å; H38-Y42 PolarHBondContact O-N 3.31Å; H38-M117 HydrophobicContact CB-CE 4.46Å
39L96.5Very high95.5Very high1 Ų161.2 Ų61.21%0.00531%0.312CS..Hα-helixtrans-60.4-49.1-175.3178.263.2000113.4I35 Y42 L43 V94 V97 L98 L113 M117I35-L39 WeakPolarHBondContact O-CA 3.46Å; I35-L39 WeakPolarHBondContact O-CB 3.48Å; I35-L39 PolarHBondContact O-N 3.03Å; L39-Y42 PolarHBondContact O-N 3.01Å; L39-L43 HydrophobicContact CD1-CD1 3.86Å; L39-L43 HydrophobicContact CD1-CG 4.1Å; L39-L43 HydrophobicContact CG-CD1 4.04Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.44Å; L39-V94 HydrophobicContact CD2-CB 4.27Å; L39-V94 HydrophobicContact CD2-CG1 4.18Å; L39-V94 HydrophobicContact CD2-CG2 4.26Å; L39-V94 HydrophobicContact CG-CG2 4.14Å; L39-V97 HydrophobicContact CD1-CG1 4.26Å; L39-V97 HydrophobicContact CD2-CB 3.62Å; L39-V97 HydrophobicContact CD2-CG1 3.45Å; L39-V97 VanDerWaalsContact CD2-CG1 3.45Å; L39-V97 HydrophobicContact CD2-CG2 4.37Å; L39-L98 HydrophobicContact CD2-CG 4.43Å; L39-L113 HydrophobicContact CD1-CD2 3.83Å; L39-M117 HydrophobicContact CB-CE 4.14Å; L39-M117 HydrophobicContact CD1-CE 4.21Å; L39-M117 HydrophobicContact CD1-SD 3.66Å
40E96.3Very high95.7Very high119 Ų11962.8 Ų62.856%0.55632%0.32SS*.Hα-helixtrans-64.8-47.6-178.4-173.2172.5-173.700110.9Y42 L43 S44 I90 V94E40-Y42 VanDerWaalsContact C-N 3.31Å; E40-Y42 PolarHBondContact O-N 3Å; E40-L43 PolarHBondContact O-N 3.21Å; E40-S44 WeakPolarHBondContact O-CB 3.4Å; E40-S44 PolarHBondContact O-N 2.98Å; E40-S44 PolarHBondContact O-OG 3.19Å; E40-I90 HydrophobicContact CG-CG2 4.49Å; E40-V94 HydrophobicContact CB-CG2 4.06Å; E40-V94 HydrophobicContact CG-CG2 4.38Å
41E96.5Very high95.8Very high110 Ų11062.2 Ų62.251%0.51432%0.316SS..Hα-helixtrans-56.3-45.5175.3-174.4-167.816800111.5H38 S44 A45H38-E41 IonicContact ND1-OE2 3.28Å; H38-E41 PolarHBondContact ND1-OE2 2.85Å; E41-S44 PolarHBondContact O-N 2.8Å; E41-A45 VanDerWaalsContact O-CB 3.3Å; E41-A45 WeakPolarHBondContact O-CB 3.41Å; E41-A45 PolarHBondContact O-N 3.38Å
42Y97.4Very high96Very high23 Ų2361.3 Ų61.39%0.0931%0.311CS..Hα-helixtrans-62.9-50179.2-177.5-89.9000111.5H38 L39 E40 S44 A45 H46 L113 H116 M117 A120H38-Y42 WeakPolarHBondContact O-CB 3.36Å; H38-Y42 PolarHBondContact O-N 3.31Å; L39-Y42 PolarHBondContact O-N 3.01Å; E40-Y42 VanDerWaalsContact C-N 3.31Å; E40-Y42 PolarHBondContact O-N 3Å; Y42-S44 VanDerWaalsContact C-N 3.34Å; Y42-S44 PolarHBondContact O-N 2.94Å; Y42-A45 PolarHBondContact O-N 3.01Å; Y42-H46 AromaticContact CD2-CD2 3.42Å; Y42-H46 VanDerWaalsContact CD2-CD2 3.42Å; Y42-H46 WeakPolarHBondContact CD2-CD2 3.44Å; Y42-H46 AromaticContact CD2-NE2 3.77Å; Y42-H46 HydrophobicContact CE1-CB 4.46Å; Y42-H46 AromaticContact CE2-CD2 3.46Å; Y42-H46 VanDerWaalsContact CE2-CD2 3.46Å; Y42-H46 WeakPolarHBondContact CE2-CD2 3.39Å; Y42-H46 AromaticContact CE2-NE2 3.69Å; Y42-H46 AromaticContact CG-CD2 3.82Å; Y42-H46 AromaticContact CZ-CD2 3.87Å; Y42-H46 WeakPolarHBondContact O-CB 3.46Å; Y42-H46 PolarHBondContact O-CD2 3.17Å; Y42-H46 PolarHBondContact O-N 2.91Å; Y42-L113 HydrophobicContact CD1-CD1 4.33Å; Y42-L113 HydrophobicContact CE1-CD1 3.97Å; Y42-H116 WeakPolarHBondContact OH-CB 3.48Å; Y42-M117 HydrophobicContact CD1-CG 3.54Å; Y42-M117 HydrophobicContact CD1-SD 4.26Å; Y42-M117 HydrophobicContact CD2-CG 3.9Å; Y42-M117 HydrophobicContact CE1-CG 3.68Å; Y42-M117 HydrophobicContact CE2-CB 4.46Å; Y42-M117 HydrophobicContact CE2-CG 4.01Å; Y42-M117 HydrophobicContact CG-CE 4.38Å; Y42-M117 HydrophobicContact CG-CG 3.66Å; Y42-M117 HydrophobicContact CG-SD 4.41Å; Y42-A120 HydrophobicContact CE2-CB 4.06Å
43L96.6Very high96.2Very high0 Ų061.7 Ų61.70%031%0.312CS..Hα-helixtrans-61.7-42.8179.7-71.4172.6000111.4L39 E40 A45 H46 W47 V56 I90 V93 V94 L113L39-L43 HydrophobicContact CD1-CD1 3.86Å; L39-L43 HydrophobicContact CD1-CG 4.1Å; L39-L43 HydrophobicContact CG-CD1 4.04Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.44Å; E40-L43 PolarHBondContact O-N 3.21Å; L43-A45 PolarHBondContact O-N 3.44Å; L43-H46 PolarHBondContact O-N 2.94Å; L43-W47 HydrophobicContact CB-CE3 4.49Å; L43-W47 VanDerWaalsContact O-CA 3.32Å; L43-W47 WeakPolarHBondContact O-CA 3.32Å; L43-W47 VanDerWaalsContact O-CB 3.25Å; L43-W47 WeakPolarHBondContact O-CB 3.47Å; L43-W47 PolarHBondContact O-N 3.27Å; L43-V56 HydrophobicContact CD2-CG2 4.3Å; L43-I90 HydrophobicContact CB-CG2 3.93Å; L43-I90 HydrophobicContact CD1-CG2 4.35Å; L43-V93 HydrophobicContact CD1-CB 4.09Å; L43-V93 HydrophobicContact CD1-CG1 3.68Å; L43-V93 HydrophobicContact CD2-CG1 4.4Å; L43-V94 HydrophobicContact CD1-CG2 3.83Å; L43-L113 HydrophobicContact CD2-CD1 4.35Å
44S95.8Very high96.2Very high65 Ų6565.6 Ų65.646%0.45533%0.328SS..Hα-helixtrans-63.7-38.7176.4-63.50000113.1E40 E41 Y42E40-S44 WeakPolarHBondContact O-CB 3.4Å; E40-S44 PolarHBondContact O-N 2.98Å; E40-S44 PolarHBondContact O-OG 3.19Å; E41-S44 PolarHBondContact O-N 2.8Å; Y42-S44 VanDerWaalsContact C-N 3.34Å; Y42-S44 PolarHBondContact O-N 2.94Å
45A96.4Very high96.1Very high72 Ų7264.4 Ų64.460%0.59532%0.323SS*.Hα-helixtrans-74.1-32.9-179.200000113.2E41 Y42 L43E41-A45 VanDerWaalsContact O-CB 3.3Å; E41-A45 WeakPolarHBondContact O-CB 3.41Å; E41-A45 PolarHBondContact O-N 3.38Å; Y42-A45 PolarHBondContact O-N 3.01Å; L43-A45 PolarHBondContact O-N 3.44Å
46H96.4Very high96.1Very high47 Ų4764.9 Ų64.922%0.21833%0.326CS..Hα-helixtrans-109.64.5-171.5-62.8-76.9000113.7Y42 L43 E48 E49 C52Y42-H46 AromaticContact CD2-CD2 3.42Å; Y42-H46 VanDerWaalsContact CD2-CD2 3.42Å; Y42-H46 WeakPolarHBondContact CD2-CD2 3.44Å; Y42-H46 AromaticContact CD2-NE2 3.77Å; Y42-H46 HydrophobicContact CE1-CB 4.46Å; Y42-H46 AromaticContact CE2-CD2 3.46Å; Y42-H46 VanDerWaalsContact CE2-CD2 3.46Å; Y42-H46 WeakPolarHBondContact CE2-CD2 3.39Å; Y42-H46 AromaticContact CE2-NE2 3.69Å; Y42-H46 AromaticContact CG-CD2 3.82Å; Y42-H46 AromaticContact CZ-CD2 3.87Å; Y42-H46 WeakPolarHBondContact O-CB 3.46Å; Y42-H46 PolarHBondContact O-CD2 3.17Å; Y42-H46 PolarHBondContact O-N 2.91Å; L43-H46 PolarHBondContact O-N 2.94Å; H46-E48 PolarHBondContact O-N 2.81Å; H46-E49 HydrophobicContact CB-CG 4.39Å; H46-E49 IonicContact CE1-OE1 3.71Å; H46-E49 IonicContact CG-OE1 2.75Å; H46-E49 IonicContact CG-OE2 3.83Å; H46-E49 IonicContact ND1-OE1 3.32Å; H46-E49 PolarHBondContact ND1-OE1 3.29Å; H46-E49 IonicContact ND1-OE2 3.71Å; H46-E49 PolarHBondContact ND1-OE2 3.26Å; H46-E49 VanDerWaalsContact O-CB 3.28Å; H46-E49 WeakPolarHBondContact O-CB 3.38Å; H46-E49 PolarHBondContact O-N 3.15Å; H46-C52 HydrophobicContact CB-CB 4.13Å; H46-C52 WeakPolarHBondContact O-CB 3.39Å
47W95.6Very high96Very high34 Ų3464.8 Ų64.813%0.12933%0.327CS..THydrogen-bonded Turntrans-52.5-37.2-170.6-167.3-111.8000114.5L43 E49 K53 V56 E86 A89 I90 V93L43-W47 HydrophobicContact CB-CE3 4.49Å; L43-W47 VanDerWaalsContact O-CA 3.32Å; L43-W47 WeakPolarHBondContact O-CA 3.32Å; L43-W47 VanDerWaalsContact O-CB 3.25Å; L43-W47 WeakPolarHBondContact O-CB 3.47Å; L43-W47 PolarHBondContact O-N 3.27Å; W47-E49 VanDerWaalsContact C-N 3.35Å; W47-K53 WeakPolarHBondContact O-CE 3.43Å; W47-K53 WeakPolarHBondContact O-CG 3.49Å; W47-V56 HydrophobicContact CE3-CG2 4.35Å; W47-V56 HydrophobicContact CH2-CG1 4.07Å; W47-V56 HydrophobicContact CH2-CG2 4.15Å; W47-V56 HydrophobicContact CZ3-CG1 4.41Å; W47-V56 HydrophobicContact CZ3-CG2 3.66Å; W47-E86 VanDerWaalsContact CD1-CD 3.41Å; W47-E86 HydrophobicContact CG-CG 4.24Å; W47-A89 HydrophobicContact CH2-CB 4.01Å; W47-A89 HydrophobicContact CZ2-CB 3.76Å; W47-I90 HydrophobicContact CD2-CD1 4.13Å; W47-I90 HydrophobicContact CD2-CG1 3.81Å; W47-I90 HydrophobicContact CE3-CD1 4.12Å; W47-I90 HydrophobicContact CE3-CG1 3.47Å; W47-I90 VanDerWaalsContact CE3-CG1 3.47Å; W47-I90 HydrophobicContact CG-CD1 4.38Å; W47-I90 HydrophobicContact CH2-CG1 3.89Å; W47-I90 HydrophobicContact CZ2-CG1 4.22Å; W47-I90 HydrophobicContact CZ3-CB 4.42Å; W47-I90 HydrophobicContact CZ3-CG1 3.51Å; W47-V93 HydrophobicContact CH2-CG2 4.41Å
48E95.3Very high95.8Very high123 Ų12361.7 Ų61.758%0.57531%0.31SS*.THydrogen-bonded Turntrans-84.2-8.8-177.9-71.3-56.2136.300114.1H46 K53H46-E48 PolarHBondContact O-N 2.81Å; E48-K53 WeakPolarHBondContact O-CE 3.31Å; E48-K53 PolarHBondContact O-NZ 3.33Å; E48-K53 WeakPolarHBondContact OE2-CE 3.41Å; E48-K53 IonicContact OE2-NZ 2.74Å; E48-K53 PolarHBondContact OE2-NZ 3.34Å
49E97.1Very high95.6Very high89 Ų8959.2 Ų59.242%0.41630%0.298SS..SBendtrans-73.7139178.8-60.7-179.3179.900111.5H46 W47 E51 C52 K53H46-E49 HydrophobicContact CB-CG 4.39Å; H46-E49 IonicContact CE1-OE1 3.71Å; H46-E49 IonicContact CG-OE1 2.75Å; H46-E49 IonicContact CG-OE2 3.83Å; H46-E49 IonicContact ND1-OE1 3.32Å; H46-E49 PolarHBondContact ND1-OE1 3.29Å; H46-E49 IonicContact ND1-OE2 3.71Å; H46-E49 PolarHBondContact ND1-OE2 3.26Å; H46-E49 VanDerWaalsContact O-CB 3.28Å; H46-E49 WeakPolarHBondContact O-CB 3.38Å; H46-E49 PolarHBondContact O-N 3.15Å; W47-E49 VanDerWaalsContact C-N 3.35Å; E49-E51 PolarHBondContact O-N 3.5Å; E49-C52 HydrophobicContact CB-CB 4.38Å; E49-C52 PolarHBondContact O-N 3.16Å; E49-K53 WeakPolarHBondContact O-CG 3.44Å; E49-K53 PolarHBondContact O-N 3.14Å
50D97.5Very high95.3Very high122 Ų12263.8 Ų63.865%0.65232%0.318SS*.Hα-helixtrans-59.3-33.8-178-72.7-27.1000112.7Q54D50-Q54 VanDerWaalsContact O-CG 3.23Å; D50-Q54 WeakPolarHBondContact O-CG 3.23Å; D50-Q54 PolarHBondContact O-N 2.92Å; D50-Q54 PolarHBondContact O-NE2 3.1Å
51E96Very high95Very high60 Ų6063.2 Ų63.228%0.2831%0.314SS..Hα-helixtrans-70.4-45.3178.7-166.5-176.7-125.600111.4E49 K53 Q54 D55 H116 R119E49-E51 PolarHBondContact O-N 3.5Å; E51-K53 VanDerWaalsContact C-N 3.33Å; E51-K53 PolarHBondContact O-N 3.04Å; E51-Q54 WeakPolarHBondContact O-CB 3.16Å; E51-Q54 PolarHBondContact O-N 3.03Å; E51-Q54 VanDerWaalsContact O-N 3.14Å; E51-D55 PolarHBondContact O-N 3.42Å; E51-H116 VanDerWaalsContact CG-CE1 3.41Å; E51-H116 WeakPolarHBondContact CG-CE1 3.48Å; E51-H116 IonicContact OE1-CD2 3.11Å; E51-H116 IonicContact OE1-CE1 2.74Å; E51-H116 IonicContact OE1-NE2 3.1Å; E51-H116 PolarHBondContact OE1-NE2 2.77Å; E51-H116 IonicContact OE2-CG 2.75Å; E51-H116 IonicContact OE2-ND1 3.51Å; E51-R119 IonicContact OE1-CZ 3.68Å; E51-R119 IonicContact OE1-NH1 3.48Å; E51-R119 PolarHBondContact OE1-NH1 2.82Å; E51-R119 IonicContact OE1-NH2 2.73Å; E51-R119 PolarHBondContact OE1-NH2 2.9Å; E51-R119 IonicContact OE2-CZ 3.21Å; E51-R119 IonicContact OE2-NH2 3.42Å; E51-R119 PolarHBondContact OE2-NH2 3.15Å
52C95.8Very high94.6Very high1 Ų159.9 Ų59.91%0.00730%0.299CS..Hα-helixtrans-62.7-40.6175-169.70000111.4H46 E49 Q54 D55 V56H46-C52 HydrophobicContact CB-CB 4.13Å; H46-C52 WeakPolarHBondContact O-CB 3.39Å; E49-C52 HydrophobicContact CB-CB 4.38Å; E49-C52 PolarHBondContact O-N 3.16Å; C52-Q54 VanDerWaalsContact C-N 3.29Å; C52-Q54 PolarHBondContact O-N 2.99Å; C52-D55 WeakPolarHBondContact O-CB 3.41Å; C52-D55 PolarHBondContact O-N 3Å; C52-V56 WeakPolarHBondContact O-CG2 3.44Å; C52-V56 PolarHBondContact O-N 3.27Å
53K94.9Very high94.2Very high87 Ų8760 Ų6038%0.37830%0.301SS..Hα-helixtrans-59.3-39.4173.9-74.4169.2173.7159.20112.2W47 E48 E49 E51 H57W47-K53 WeakPolarHBondContact O-CE 3.43Å; W47-K53 WeakPolarHBondContact O-CG 3.49Å; E48-K53 WeakPolarHBondContact O-CE 3.31Å; E48-K53 PolarHBondContact O-NZ 3.33Å; E48-K53 WeakPolarHBondContact OE2-CE 3.41Å; E48-K53 IonicContact OE2-NZ 2.74Å; E48-K53 PolarHBondContact OE2-NZ 3.34Å; E49-K53 WeakPolarHBondContact O-CG 3.44Å; E49-K53 PolarHBondContact O-N 3.14Å; E51-K53 VanDerWaalsContact C-N 3.33Å; E51-K53 PolarHBondContact O-N 3.04Å; K53-H57 VanDerWaalsContact O-CB 3.31Å; K53-H57 WeakPolarHBondContact O-CB 3.18Å; K53-H57 PolarHBondContact O-N 3.01Å
54Q95.8Very high93.7Very high118 Ų11866.1 Ų66.155%0.55133%0.33SS*.Hα-helixtrans-67.3-41.8175.2-72.9168.540.300112D50 E51 C52 H57 L58D50-Q54 VanDerWaalsContact O-CG 3.23Å; D50-Q54 WeakPolarHBondContact O-CG 3.23Å; D50-Q54 PolarHBondContact O-N 2.92Å; D50-Q54 PolarHBondContact O-NE2 3.1Å; E51-Q54 WeakPolarHBondContact O-CB 3.16Å; E51-Q54 PolarHBondContact O-N 3.03Å; E51-Q54 VanDerWaalsContact O-N 3.14Å; C52-Q54 VanDerWaalsContact C-N 3.29Å; C52-Q54 PolarHBondContact O-N 2.99Å; Q54-H57 PolarHBondContact O-N 3.26Å; Q54-L58 WeakPolarHBondContact O-CG 3.4Å; Q54-L58 PolarHBondContact O-N 2.91Å
55D95Very high93.2Very high0 Ų066.2 Ų66.20%032%0.323CS..Hα-helixtrans-59-50.7175.4-66.6-23.8000111.4E51 C52 H57 L58 L59 Q112 L113 H116E51-D55 PolarHBondContact O-N 3.42Å; C52-D55 WeakPolarHBondContact O-CB 3.41Å; C52-D55 PolarHBondContact O-N 3Å; D55-H57 VanDerWaalsContact C-N 3.29Å; D55-H57 PolarHBondContact O-N 3.22Å; D55-L58 PolarHBondContact O-N 3.33Å; D55-L59 WeakPolarHBondContact O-CG 3.33Å; D55-L59 PolarHBondContact O-N 3.43Å; D55-Q112 WeakPolarHBondContact OD1-CG 3.41Å; D55-Q112 PolarHBondContact OD1-NE2 2.91Å; D55-L113 HydrophobicContact CB-CB 4.25Å; D55-L113 HydrophobicContact CB-CD1 4.1Å; D55-H116 VanDerWaalsContact CG-ND1 3.28Å; D55-H116 IonicContact OD1-CE1 2.75Å; D55-H116 PolarHBondContact OD1-CE1 3.38Å; D55-H116 IonicContact OD1-ND1 3.67Å; D55-H116 PolarHBondContact OD1-ND1 2.99Å; D55-H116 VanDerWaalsContact OD1-ND1 3.1Å; D55-H116 IonicContact OD2-CE1 3.42Å; D55-H116 IonicContact OD2-CG 3.48Å; D55-H116 IonicContact OD2-ND1 3.18Å; D55-H116 PolarHBondContact OD2-ND1 2.67Å
56V94.4Very high92.6Very high10 Ų1062.9 Ų62.96%0.06130%0.295CS..Hα-helixtrans-60.1-41.3178.4171.90000110.8L43 W47 C52 L59 K60 V93L43-V56 HydrophobicContact CD2-CG2 4.3Å; W47-V56 HydrophobicContact CE3-CG2 4.35Å; W47-V56 HydrophobicContact CH2-CG1 4.07Å; W47-V56 HydrophobicContact CH2-CG2 4.15Å; W47-V56 HydrophobicContact CZ3-CG1 4.41Å; W47-V56 HydrophobicContact CZ3-CG2 3.66Å; C52-V56 WeakPolarHBondContact O-CG2 3.44Å; C52-V56 PolarHBondContact O-N 3.27Å; V56-L59 PolarHBondContact O-N 3.28Å; V56-K60 HydrophobicContact CG1-CD 4.27Å; V56-K60 WeakPolarHBondContact O-CG 3.44Å; V56-K60 PolarHBondContact O-N 3.17Å; V56-V93 HydrophobicContact CG1-CG2 3.89Å; V56-V93 HydrophobicContact CG2-CG1 4.48Å; V56-V93 HydrophobicContact CG2-CG2 4.36Å
57H93.1Very high92Very high102 Ų10265.6 Ų65.647%0.47231%0.311SS..Hα-helixtrans-62.5-43.4176.3-178.265.2000112.8K53 Q54 D55 K60 K61K53-H57 VanDerWaalsContact O-CB 3.31Å; K53-H57 WeakPolarHBondContact O-CB 3.18Å; K53-H57 PolarHBondContact O-N 3.01Å; Q54-H57 PolarHBondContact O-N 3.26Å; D55-H57 VanDerWaalsContact C-N 3.29Å; D55-H57 PolarHBondContact O-N 3.22Å; H57-K60 PolarHBondContact O-N 3.49Å; H57-K61 VanDerWaalsContact NE2-CE 3.3Å; H57-K61 WeakPolarHBondContact NE2-CE 3.3Å; H57-K61 PolarHBondContact NE2-NZ 2.89Å; H57-K61 PolarHBondContact O-N 3.36Å
58L93.2Very high91.5Very high59 Ų5971.9 Ų71.931%0.30934%0.335SS..Hα-helixtrans-65.8-39.3175.7-71.7-178.3000112.1Q54 D55 K61 Q62 A109 Q112Q54-L58 WeakPolarHBondContact O-CG 3.4Å; Q54-L58 PolarHBondContact O-N 2.91Å; D55-L58 PolarHBondContact O-N 3.33Å; L58-K61 PolarHBondContact O-N 2.63Å; L58-Q62 WeakPolarHBondContact O-CB 3.31Å; L58-Q62 PolarHBondContact O-N 2.64Å; L58-A109 HydrophobicContact CB-CB 3.89Å; L58-Q112 VanDerWaalsContact CD1-NE2 3.34Å; L58-Q112 VanDerWaalsContact CD1-OE1 3.28Å
59L92.8Very high90.9Very high1 Ų169.6 Ų69.61%0.00533%0.326CS..Hα-helixtrans-63-41.9175.6-74.6166.8000111.6D55 V56 Q62 V63 V93 V97 A109 L113D55-L59 WeakPolarHBondContact O-CG 3.33Å; D55-L59 PolarHBondContact O-N 3.43Å; V56-L59 PolarHBondContact O-N 3.28Å; L59-Q62 WeakPolarHBondContact O-CB 3.11Å; L59-Q62 PolarHBondContact O-N 2.89Å; L59-V63 WeakPolarHBondContact O-CG2 3.2Å; L59-V63 PolarHBondContact O-N 3.15Å; L59-V63 VanDerWaalsContact O-N 3.08Å; L59-V93 HydrophobicContact CD1-CG1 3.93Å; L59-V97 HydrophobicContact CD1-CG2 3.86Å; L59-V97 HydrophobicContact CD2-CG2 4.2Å; L59-A109 HydrophobicContact CD2-CB 3.93Å; L59-A109 HydrophobicContact CG-CB 4.23Å; L59-L113 HydrophobicContact CD1-CB 4.38Å; L59-L113 HydrophobicContact CD1-CD2 3.65Å
60K90.4Very high90.1Very high97 Ų9773.9 Ų73.942%0.42235%0.346SS..Hα-helixtrans-62.4-46.8174.9-74.6179.3177.4-176.70111.8V56 H57 Q62 V63 E64V56-K60 HydrophobicContact CG1-CD 4.27Å; V56-K60 WeakPolarHBondContact O-CG 3.44Å; V56-K60 PolarHBondContact O-N 3.17Å; H57-K60 PolarHBondContact O-N 3.49Å; K60-Q62 VanDerWaalsContact C-N 3.28Å; K60-Q62 PolarHBondContact O-N 3.21Å; K60-V63 WeakPolarHBondContact O-CB 3.38Å; K60-V63 PolarHBondContact O-N 2.98Å; K60-V63 VanDerWaalsContact O-N 3.15Å; K60-E64 PolarHBondContact O-N 3.32Å
61K89.4Confident89Confident107 Ų10774.2 Ų74.247%0.46534%0.338SS..Hα-helixtrans-58.7-38.9174.1-78.7-175.6169.7-178.90112.9H57 L58 V63 E64 E65H57-K61 VanDerWaalsContact NE2-CE 3.3Å; H57-K61 WeakPolarHBondContact NE2-CE 3.3Å; H57-K61 PolarHBondContact NE2-NZ 2.89Å; H57-K61 PolarHBondContact O-N 3.36Å; L58-K61 PolarHBondContact O-N 2.63Å; K61-V63 VanDerWaalsContact C-N 3.34Å; K61-E64 PolarHBondContact O-N 3.13Å; K61-E65 PolarHBondContact O-N 2.94Å
62Q88.7Confident87.9Confident41 Ų4174.9 Ų74.919%0.19235%0.354CS..Hα-helixtrans-63.5-41.2177.3-178.958.667.700111.3L58 L59 K60 E65 D66 A109L58-Q62 WeakPolarHBondContact O-CB 3.31Å; L58-Q62 PolarHBondContact O-N 2.64Å; L59-Q62 WeakPolarHBondContact O-CB 3.11Å; L59-Q62 PolarHBondContact O-N 2.89Å; K60-Q62 VanDerWaalsContact C-N 3.28Å; K60-Q62 PolarHBondContact O-N 3.21Å; Q62-E65 PolarHBondContact O-N 3.45Å; Q62-D66 VanDerWaalsContact NE2-CG 3.32Å; Q62-D66 PolarHBondContact NE2-OD1 2.81Å; Q62-D66 PolarHBondContact NE2-OD2 3.32Å; Q62-D66 WeakPolarHBondContact O-CB 3.24Å; Q62-D66 VanDerWaalsContact O-CG 3.3Å; Q62-D66 PolarHBondContact O-N 3.16Å; Q62-D66 VanDerWaalsContact O-OD2 3.09Å; Q62-A109 HydrophobicContact CB-CB 4.03Å; Q62-A109 HydrophobicContact CG-CB 4.48Å
63V86.9Confident86.4Confident24 Ų2476 Ų7615%0.14536%0.361CS..Hα-helixtrans-63.2-45.9175173.60000111.3L59 K60 K61 E65 D66 L67 N96L59-V63 WeakPolarHBondContact O-CG2 3.2Å; L59-V63 PolarHBondContact O-N 3.15Å; L59-V63 VanDerWaalsContact O-N 3.08Å; K60-V63 WeakPolarHBondContact O-CB 3.38Å; K60-V63 PolarHBondContact O-N 2.98Å; K60-V63 VanDerWaalsContact O-N 3.15Å; K61-V63 VanDerWaalsContact C-N 3.34Å; V63-E65 VanDerWaalsContact C-N 3.3Å; V63-E65 PolarHBondContact O-N 3Å; V63-D66 PolarHBondContact O-N 2.82Å; V63-L67 HydrophobicContact CG1-CD1 4.06Å; V63-L67 HydrophobicContact CG1-CG 4.4Å; V63-L67 WeakPolarHBondContact O-CG 3.3Å; V63-L67 PolarHBondContact O-N 3.49Å; V63-N96 VanDerWaalsContact CG2-ND2 3.35Å; V63-N96 WeakPolarHBondContact CG2-ND2 3.45Å; V63-N96 WeakPolarHBondContact CG2-OD1 3.37Å
64E86.3Confident85Confident130 Ų13072.6 Ų72.661%0.60735%0.349SS*.Hα-helixtrans-57.1-43.9176.6-70.1172.8-178.400111.9K60 K61 L67 R68K60-E64 PolarHBondContact O-N 3.32Å; K61-E64 PolarHBondContact O-N 3.13Å; E64-L67 PolarHBondContact O-N 3.16Å; E64-R68 WeakPolarHBondContact O-CB 3.43Å; E64-R68 PolarHBondContact O-N 2.87Å
65E85.9Confident83.2Confident67 Ų6775.8 Ų75.831%0.31336%0.364SS..Hα-helixtrans-67.7-40.5177.8-178.961.2-17200112.1K61 Q62 V63 R68 L69K61-E65 PolarHBondContact O-N 2.94Å; Q62-E65 PolarHBondContact O-N 3.45Å; V63-E65 VanDerWaalsContact C-N 3.3Å; V63-E65 PolarHBondContact O-N 3Å; E65-R68 VanDerWaalsContact CD-NH2 3.3Å; E65-R68 PolarHBondContact O-N 3.1Å; E65-R68 IonicContact OE1-CZ 2.65Å; E65-R68 IonicContact OE1-NE 4Å; E65-R68 IonicContact OE1-NH2 3Å; E65-R68 PolarHBondContact OE1-NH2 2.87Å; E65-R68 IonicContact OE2-CZ 2.78Å; E65-R68 VanDerWaalsContact OE2-CZ 3.3Å; E65-R68 IonicContact OE2-NE 3.92Å; E65-R68 PolarHBondContact OE2-NE 2.78Å; E65-R68 IonicContact OE2-NH2 2.79Å; E65-R68 PolarHBondContact OE2-NH2 3.05Å; E65-L69 HydrophobicContact CG-CD1 4.07Å; E65-L69 WeakPolarHBondContact O-CB 3.32Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 3.45Å; E65-L69 WeakPolarHBondContact OE1-CD1 3.39Å
66D84.5Confident81.3Confident1 Ų179.9 Ų79.91%0.00538%0.383CS..Hα-helixtrans-63.9-41.1176.7-75.5-45.2000111.9Q62 V63 L69 H70 R71 C73 R105Q62-D66 VanDerWaalsContact NE2-CG 3.32Å; Q62-D66 PolarHBondContact NE2-OD1 2.81Å; Q62-D66 PolarHBondContact NE2-OD2 3.32Å; Q62-D66 WeakPolarHBondContact O-CB 3.24Å; Q62-D66 VanDerWaalsContact O-CG 3.3Å; Q62-D66 PolarHBondContact O-N 3.16Å; Q62-D66 VanDerWaalsContact O-OD2 3.09Å; V63-D66 PolarHBondContact O-N 2.82Å; D66-L69 CarbonylContact O-C 3.58Å; D66-L69 PolarHBondContact O-N 3.03Å; D66-H70 PolarHBondContact O-N 2.83Å; D66-R71 HydrophobicContact CB-CB 4.14Å; D66-R71 WeakPolarHBondContact O-CB 3.45Å; D66-R71 PolarHBondContact O-N 2.92Å; D66-R71 WeakPolarHBondContact OD1-CD 3.29Å; D66-R71 IonicContact OD1-NH1 2.71Å; D66-C73 WeakPolarHBondContact CB-SG 3.37Å; D66-R105 IonicContact OD1-CZ 3.84Å; D66-R105 IonicContact OD1-NH1 3.67Å; D66-R105 PolarHBondContact OD1-NH1 2.85Å; D66-R105 IonicContact OD1-NH2 2.59Å; D66-R105 PolarHBondContact OD1-NH2 3.4Å; D66-R105 IonicContact OD2-CZ 3.43Å; D66-R105 VanDerWaalsContact OD2-CZ 3.28Å; D66-R105 IonicContact OD2-NH1 3.27Å; D66-R105 IonicContact OD2-NH2 2.76Å; D66-R105 PolarHBondContact OD2-NH2 3.11Å
67L83.4Confident78.9Confident104 Ų10484.7 Ų84.755%0.54542%0.417SS..Hα-helixtrans-61.8-45.5172.7-71.4172.3000111.4V63 E64 L69 H70 C73V63-L67 HydrophobicContact CG1-CD1 4.06Å; V63-L67 HydrophobicContact CG1-CG 4.4Å; V63-L67 WeakPolarHBondContact O-CG 3.3Å; V63-L67 PolarHBondContact O-N 3.49Å; E64-L67 PolarHBondContact O-N 3.16Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 PolarHBondContact O-N 2.77Å; L67-H70 PolarHBondContact O-N 2.88Å; L67-C73 HydrophobicContact CD2-CB 4.1Å
68R84.9Confident76.5Confident167 Ų16787 Ų8763%0.6343%0.432SS*.Hα-helixtrans-59.1-38.8177.5-168.818074.6102.41.7112E64 E65 H70E64-R68 WeakPolarHBondContact O-CB 3.43Å; E64-R68 PolarHBondContact O-N 2.87Å; E65-R68 VanDerWaalsContact CD-NH2 3.3Å; E65-R68 PolarHBondContact O-N 3.1Å; E65-R68 IonicContact OE1-CZ 2.65Å; E65-R68 IonicContact OE1-NE 4Å; E65-R68 IonicContact OE1-NH2 3Å; E65-R68 PolarHBondContact OE1-NH2 2.87Å; E65-R68 IonicContact OE2-CZ 2.78Å; E65-R68 VanDerWaalsContact OE2-CZ 3.3Å; E65-R68 IonicContact OE2-NE 3.92Å; E65-R68 PolarHBondContact OE2-NE 2.78Å; E65-R68 IonicContact OE2-NH2 2.79Å; E65-R68 PolarHBondContact OE2-NH2 3.05Å; R68-H70 VanDerWaalsContact C-N 3.26Å; R68-H70 PolarHBondContact O-N 2.86Å; R68-H70 PolarHBondContact O-ND1 3.16Å
69L83.4Confident74.2Confident74 Ų7489.4 Ų89.439%0.38745%0.445SS..THydrogen-bonded Turntrans-84.17.2178-64.4178.5000113.7E65 D66 L67 R71E65-L69 HydrophobicContact CG-CD1 4.07Å; E65-L69 WeakPolarHBondContact O-CB 3.32Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 3.45Å; E65-L69 WeakPolarHBondContact OE1-CD1 3.39Å; D66-L69 CarbonylContact O-C 3.58Å; D66-L69 PolarHBondContact O-N 3.03Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 PolarHBondContact O-N 2.77Å; L69-R71 HydrophobicContact CB-CG 4.05Å; L69-R71 PolarHBondContact O-N 3.43Å
70H78.9Confident72Confident180 Ų18098.4 Ų98.483%0.83349%0.487SS*.THydrogen-bonded Turntrans53.932.2-177.4-60.168.9000113.2D66 L67 R68D66-H70 PolarHBondContact O-N 2.83Å; L67-H70 PolarHBondContact O-N 2.88Å; R68-H70 VanDerWaalsContact C-N 3.26Å; R68-H70 PolarHBondContact O-N 2.86Å; R68-H70 PolarHBondContact O-ND1 3.16Å
71R75Confident70.2Confident129 Ų12995.6 Ų95.649%0.48748%0.48SS..  trans-81.5152.1173.4-66.7174.1175178.4-0.3109D66 L69 C73D66-R71 HydrophobicContact CB-CB 4.14Å; D66-R71 WeakPolarHBondContact O-CB 3.45Å; D66-R71 PolarHBondContact O-N 2.92Å; D66-R71 WeakPolarHBondContact OD1-CD 3.29Å; D66-R71 IonicContact OD1-NH1 2.71Å; L69-R71 HydrophobicContact CB-CG 4.05Å; L69-R71 PolarHBondContact O-N 3.43Å; R71-C73 PolarHBondContact O-N 3.38Å; R71-C73 PolarHBondContact O-SG 2.73Å
72A72.1Confident68.5Low74 Ų7494.9 Ų94.961%0.61250%0.502SS*.  trans-53.5140.9169.300000109.3W99A72-W99 VanDerWaalsContact C-CH2 3.49Å; A72-W99 VanDerWaalsContact C-CZ2 3.45Å; A72-W99 HydrophobicContact CB-CH2 4.44Å; A72-W99 HydrophobicContact CB-CZ2 3.75Å; A72-W99 WeakPolarHBondContact O-CH2 3.18Å; A72-W99 VanDerWaalsContact O-CZ2 3.28Å; A72-W99 WeakPolarHBondContact O-CZ2 3.3Å
73C65.6Low67.2Low24 Ų2496.4 Ų96.416%0.16251%0.509CS..  trans-135.5162.8177-67.90000108.3D66 L67 R71 Q75D66-C73 WeakPolarHBondContact CB-SG 3.37Å; L67-C73 HydrophobicContact CD2-CB 4.1Å; R71-C73 PolarHBondContact O-N 3.38Å; R71-C73 PolarHBondContact O-SG 2.73Å; C73-Q75 PolarHBondContact O-N 2.83Å
74A65.7Low66.5Low15 Ų1599 Ų9912%0.12453%0.525CS..  trans-56.6126.8171.100000109.7H76 N96 W99A74-H76 PolarHBondContact O-N 3.05Å; A74-N96 HydrophobicContact CB-CB 4.41Å; A74-W99 HydrophobicContact CB-CB 3.92Å; A74-W99 HydrophobicContact CB-CD2 4.31Å; A74-W99 HydrophobicContact CB-CE3 4.48Å; A74-W99 HydrophobicContact CB-CG 4.02Å
75Q57Low66.3Low185 Ų18599.5 Ų99.586%0.86453%0.532SS*.  trans-78.4109.3171-71.1-173.3-23.500107.3C73 S77C73-Q75 PolarHBondContact O-N 2.83Å; Q75-S77 PolarHBondContact O-N 3.39Å; Q75-S77 VanDerWaalsContact O-N 3.09Å
76H55.8Low66.3Low87 Ų87100.3 Ų100.340%0.40354%0.536SS..  trans-67.1108171.6-62.6-71.7000108.7A74 L78A74-H76 PolarHBondContact O-N 3.05Å; H76-L78 PolarHBondContact O-N 2.99Å
77S42.8Very low66.4Low111 Ų111104.8 Ų104.878%0.77656%0.557SS**  trans-73.2102.9161.8-93.20000107.3Q75 D79Q75-S77 PolarHBondContact O-N 3.39Å; Q75-S77 VanDerWaalsContact O-N 3.09Å; S77-D79 VanDerWaalsContact C-N 3.31Å; S77-D79 PolarHBondContact O-N 3.12Å
78L43.3Very low66.5Low151 Ų151103.8 Ų103.879%0.79155%0.548SS*.  trans-6591.5172.4-69.9167000109H76H76-L78 PolarHBondContact O-N 2.99Å
79D45.4Very low66.7Low109 Ų10996.6 Ų96.658%0.58353%0.525SS*.  trans-84.7119.1168.4-147.8-0000108.6S77 S81S77-D79 VanDerWaalsContact C-N 3.31Å; S77-D79 PolarHBondContact O-N 3.12Å; D79-S81 PolarHBondContact O-N 3.13Å; D79-S81 VanDerWaalsContact O-N 3.1Å
80Q45.6Very low67.1Low190 Ų19093.4 Ų93.489%0.88851%0.508SS*.  trans-85.244-176.2-65.2-174.2900112.1
81S52.6Low67.7Low38 Ų3890.2 Ų90.227%0.26649%0.489SS..  trans-92.9152.7176.749.80000111.6D79 H83D79-S81 PolarHBondContact O-N 3.13Å; D79-S81 VanDerWaalsContact O-N 3.1Å; S81-H83 PolarHBondContact O-N 2.98Å; S81-H83 PolarHBondContact OG-CD2 3.38Å; S81-H83 PolarHBondContact OG-NE2 3.38Å
82G54Low68.4Low91 Ų9188.1 Ų88.194%0.93848%0.484SS*.  trans-69.243.1-17100000116.5
83H61.1Low69.4Low73 Ų7384.9 Ų84.934%0.33846%0.457SS..  trans-74.1151.4173-67.6-68.4000112.1S81 E87 K88S81-H83 PolarHBondContact O-N 2.98Å; S81-H83 PolarHBondContact OG-CD2 3.38Å; S81-H83 PolarHBondContact OG-NE2 3.38Å; H83-E87 WeakPolarHBondContact CA-OE2 3.13Å; H83-E87 HydrophobicContact CB-CB 4.09Å; H83-E87 WeakPolarHBondContact CB-OE2 3.3Å; H83-E87 IonicContact CG-OE2 3.57Å; H83-E87 IonicContact ND1-OE2 2.94Å; H83-E87 PolarHBondContact ND1-OE2 2.88Å; H83-K88 HydrophobicContact CB-CD 4.4Å; H83-K88 HydrophobicContact CB-CG 3.77Å; H83-K88 VanDerWaalsContact O-CE 3.28Å; H83-K88 WeakPolarHBondContact O-CE 3.31Å; H83-K88 PolarHBondContact O-NZ 3.07Å
84T73.3Confident70.8Confident78 Ų7884.3 Ų84.348%0.47945%0.453SS..  trans-63.9159.617065.50000110.7E86 E87 K88T84-E86 PolarHBondContact O-N 2.83Å; T84-E87 PolarHBondContact N-OE2 2.97Å; T84-E87 PolarHBondContact O-N 3.33Å; T84-E87 VanDerWaalsContact OG1-CG 3.28Å; T84-E87 WeakPolarHBondContact OG1-CG 3.48Å; T84-E87 PolarHBondContact OG1-N 3.14Å; T84-K88 WeakPolarHBondContact O-CG 3.49Å; T84-K88 PolarHBondContact O-N 3.19Å
85D82.3Confident72Confident141 Ų14186.6 Ų86.675%0.75446%0.463SS*.Hα-helixtrans-61.3-30.5178.4-68.8-22.1000111.9A89D85-A89 WeakPolarHBondContact O-CB 3.44Å; D85-A89 PolarHBondContact O-N 2.91Å; D85-A89 VanDerWaalsContact O-N 3.14Å
86E84.9Confident73.6Confident84 Ų8478.2 Ų78.239%0.39342%0.424SS..Hα-helixtrans-70.5-50.1176-178.6172.9133.100112.5W47 T84 K88 A89 I90W47-E86 VanDerWaalsContact CD1-CD 3.41Å; W47-E86 HydrophobicContact CG-CG 4.24Å; T84-E86 PolarHBondContact O-N 2.83Å; E86-K88 PolarHBondContact O-N 2.99Å; E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 3.12Å; E86-I90 HydrophobicContact CG-CD1 3.98Å; E86-I90 WeakPolarHBondContact O-CG1 3.45Å; E86-I90 PolarHBondContact O-N 3.21Å
87E87.1Confident75.4Confident95 Ų9574 Ų7444%0.44441%0.405SS..Hα-helixtrans-57.3-40177.9-76.9168.4-166.200111.7H83 T84 R91H83-E87 WeakPolarHBondContact CA-OE2 3.13Å; H83-E87 HydrophobicContact CB-CB 4.09Å; H83-E87 WeakPolarHBondContact CB-OE2 3.3Å; H83-E87 IonicContact CG-OE2 3.57Å; H83-E87 IonicContact ND1-OE2 2.94Å; H83-E87 PolarHBondContact ND1-OE2 2.88Å; T84-E87 PolarHBondContact N-OE2 2.97Å; T84-E87 PolarHBondContact O-N 3.33Å; T84-E87 VanDerWaalsContact OG1-CG 3.28Å; T84-E87 WeakPolarHBondContact OG1-CG 3.48Å; T84-E87 PolarHBondContact OG1-N 3.14Å; E87-R91 WeakPolarHBondContact O-CB 3.27Å; E87-R91 PolarHBondContact O-N 3.37Å
88K86.3Confident77.8Confident83 Ų8371.6 Ų71.636%0.36138%0.382SS..Hα-helixtrans-63.8-46.1174.9-69.9174.8-176.9165.30111.5H83 T84 E86 I90 R91 E92H83-K88 HydrophobicContact CB-CD 4.4Å; H83-K88 HydrophobicContact CB-CG 3.77Å; H83-K88 VanDerWaalsContact O-CE 3.28Å; H83-K88 WeakPolarHBondContact O-CE 3.31Å; H83-K88 PolarHBondContact O-NZ 3.07Å; T84-K88 WeakPolarHBondContact O-CG 3.49Å; T84-K88 PolarHBondContact O-N 3.19Å; E86-K88 PolarHBondContact O-N 2.99Å; K88-I90 PolarHBondContact O-N 2.77Å; K88-R91 PolarHBondContact O-N 3.1Å; K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.81Å
89A88.4Confident80.1Confident17 Ų1767.1 Ų67.114%0.1436%0.355CS..Hα-helixtrans-63.4-40.7179.400000112.3W47 D85 E86 E92 V93W47-A89 HydrophobicContact CH2-CB 4.01Å; W47-A89 HydrophobicContact CZ2-CB 3.76Å; D85-A89 WeakPolarHBondContact O-CB 3.44Å; D85-A89 PolarHBondContact O-N 2.91Å; D85-A89 VanDerWaalsContact O-N 3.14Å; E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 3.12Å; A89-E92 PolarHBondContact O-N 3.16Å; A89-V93 WeakPolarHBondContact O-CG2 3.46Å; A89-V93 PolarHBondContact O-N 3.45Å
90I92.1Very high82.3Confident6 Ų661.9 Ų61.93%0.03133%0.327CS..Hα-helixtrans-60.7-49.4174.5-71167.4000109.8E40 L43 W47 E86 K88 E92 V93 V94E40-I90 HydrophobicContact CG-CG2 4.49Å; L43-I90 HydrophobicContact CB-CG2 3.93Å; L43-I90 HydrophobicContact CD1-CG2 4.35Å; W47-I90 HydrophobicContact CD2-CD1 4.13Å; W47-I90 HydrophobicContact CD2-CG1 3.81Å; W47-I90 HydrophobicContact CE3-CD1 4.12Å; W47-I90 HydrophobicContact CE3-CG1 3.47Å; W47-I90 VanDerWaalsContact CE3-CG1 3.47Å; W47-I90 HydrophobicContact CG-CD1 4.38Å; W47-I90 HydrophobicContact CH2-CG1 3.89Å; W47-I90 HydrophobicContact CZ2-CG1 4.22Å; W47-I90 HydrophobicContact CZ3-CB 4.42Å; W47-I90 HydrophobicContact CZ3-CG1 3.51Å; E86-I90 HydrophobicContact CG-CD1 3.98Å; E86-I90 WeakPolarHBondContact O-CG1 3.45Å; E86-I90 PolarHBondContact O-N 3.21Å; K88-I90 PolarHBondContact O-N 2.77Å; I90-E92 VanDerWaalsContact C-N 3.32Å; I90-E92 PolarHBondContact O-N 3.47Å; I90-V93 WeakPolarHBondContact O-CB 3.22Å; I90-V93 PolarHBondContact O-N 3.16Å; I90-V94 HydrophobicContact CG2-CG2 4.14Å; I90-V94 WeakPolarHBondContact O-CG2 3.21Å; I90-V94 PolarHBondContact O-N 3.03Å
91R91.1Very high84.5Confident114 Ų11454.1 Ų54.143%0.4329%0.291SS..Hα-helixtrans-59.3-41.1-179.1-169.4171.7-176.9178.4-1.8112.7E87 K88 V93 V94 D95E87-R91 WeakPolarHBondContact O-CB 3.27Å; E87-R91 PolarHBondContact O-N 3.37Å; K88-R91 PolarHBondContact O-N 3.1Å; R91-V93 VanDerWaalsContact C-N 3.31Å; R91-V93 PolarHBondContact O-N 3.31Å; R91-V94 PolarHBondContact O-N 3.28Å; R91-D95 PolarHBondContact O-N 2.73Å
92E90.1Very high86.2Confident84 Ų8456.2 Ų56.239%0.39331%0.311SS..Hα-helixtrans-60.8-39.5174.5-73177177.500112.7K88 A89 I90 N96K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.81Å; A89-E92 PolarHBondContact O-N 3.16Å; I90-E92 VanDerWaalsContact C-N 3.32Å; I90-E92 PolarHBondContact O-N 3.47Å; E92-N96 WeakPolarHBondContact O-CB 3.39Å; E92-N96 PolarHBondContact O-N 2.93Å; E92-N96 VanDerWaalsContact O-N 3.11Å
93V92.8Very high87.8Confident6 Ų654.7 Ų54.74%0.03629%0.286CS..Hα-helixtrans-68.2-43.8175.8176.40000110.6L43 W47 V56 L59 A89 I90 R91 N96 V97L43-V93 HydrophobicContact CD1-CB 4.09Å; L43-V93 HydrophobicContact CD1-CG1 3.68Å; L43-V93 HydrophobicContact CD2-CG1 4.4Å; W47-V93 HydrophobicContact CH2-CG2 4.41Å; V56-V93 HydrophobicContact CG1-CG2 3.89Å; V56-V93 HydrophobicContact CG2-CG1 4.48Å; V56-V93 HydrophobicContact CG2-CG2 4.36Å; L59-V93 HydrophobicContact CD1-CG1 3.93Å; A89-V93 WeakPolarHBondContact O-CG2 3.46Å; A89-V93 PolarHBondContact O-N 3.45Å; I90-V93 WeakPolarHBondContact O-CB 3.22Å; I90-V93 PolarHBondContact O-N 3.16Å; R91-V93 VanDerWaalsContact C-N 3.31Å; R91-V93 PolarHBondContact O-N 3.31Å; V93-N96 PolarHBondContact O-N 3Å; V93-V97 HydrophobicContact CG1-CG2 4.28Å; V93-V97 WeakPolarHBondContact O-CB 3.44Å; V93-V97 VanDerWaalsContact O-CG2 3.3Å; V93-V97 WeakPolarHBondContact O-CG2 3.18Å; V93-V97 PolarHBondContact O-N 3.23Å
94V94.3Very high88.9Confident13 Ų1356.5 Ų56.58%0.07930%0.298CS..Hα-helixtrans-56.2-53.5176.31710000110.4L39 E40 L43 I90 R91 N96 V97 L98L39-V94 HydrophobicContact CD2-CB 4.27Å; L39-V94 HydrophobicContact CD2-CG1 4.18Å; L39-V94 HydrophobicContact CD2-CG2 4.26Å; L39-V94 HydrophobicContact CG-CG2 4.14Å; E40-V94 HydrophobicContact CB-CG2 4.06Å; E40-V94 HydrophobicContact CG-CG2 4.38Å; L43-V94 HydrophobicContact CD1-CG2 3.83Å; I90-V94 HydrophobicContact CG2-CG2 4.14Å; I90-V94 WeakPolarHBondContact O-CG2 3.21Å; I90-V94 PolarHBondContact O-N 3.03Å; R91-V94 PolarHBondContact O-N 3.28Å; V94-N96 VanDerWaalsContact C-N 3.31Å; V94-N96 PolarHBondContact O-N 3.47Å; V94-V97 PolarHBondContact O-N 3.5Å; V94-L98 HydrophobicContact CG1-CD1 3.8Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 WeakPolarHBondContact O-CB 3.24Å; V94-L98 WeakPolarHBondContact O-CG 3.36Å; V94-L98 PolarHBondContact O-N 3.37Å
95D91.9Very high89.5Confident63 Ų6355.2 Ų55.234%0.33728%0.284SS..Hα-helixtrans-59.9-42.2-178.9-72.5-19.8000111.6R91 W99R91-D95 PolarHBondContact O-N 2.73Å; D95-W99 WeakPolarHBondContact O-CB 3.46Å; D95-W99 PolarHBondContact O-N 3.48Å
96N91.3Very high89.5Confident8 Ų854 Ų544%0.04327%0.272CS..Hα-helixtrans-61.8-47.9176.2174.437.4000112.4V63 A74 E92 V93 V94 W99 Q100V63-N96 VanDerWaalsContact CG2-ND2 3.35Å; V63-N96 WeakPolarHBondContact CG2-ND2 3.45Å; V63-N96 WeakPolarHBondContact CG2-OD1 3.37Å; A74-N96 HydrophobicContact CB-CB 4.41Å; E92-N96 WeakPolarHBondContact O-CB 3.39Å; E92-N96 PolarHBondContact O-N 2.93Å; E92-N96 VanDerWaalsContact O-N 3.11Å; V93-N96 PolarHBondContact O-N 3Å; V94-N96 VanDerWaalsContact C-N 3.31Å; V94-N96 PolarHBondContact O-N 3.47Å; N96-W99 PolarHBondContact O-N 2.75Å; N96-Q100 PolarHBondContact ND2-NE2 2.92Å; N96-Q100 WeakPolarHBondContact O-CG 3.49Å; N96-Q100 PolarHBondContact O-N 3.18Å; N96-Q100 PolarHBondContact OD1-NE2 3.35Å; N96-Q100 VanDerWaalsContact OD1-NE2 3.08Å
97V93.7Very high89.6Confident0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-65.1-46.8-179.4167.80000110.7L39 L59 V93 V94 W99 Q100 M101 L110 L113L39-V97 HydrophobicContact CD1-CG1 4.26Å; L39-V97 HydrophobicContact CD2-CB 3.62Å; L39-V97 HydrophobicContact CD2-CG1 3.45Å; L39-V97 VanDerWaalsContact CD2-CG1 3.45Å; L39-V97 HydrophobicContact CD2-CG2 4.37Å; L59-V97 HydrophobicContact CD1-CG2 3.86Å; L59-V97 HydrophobicContact CD2-CG2 4.2Å; V93-V97 HydrophobicContact CG1-CG2 4.28Å; V93-V97 WeakPolarHBondContact O-CB 3.44Å; V93-V97 VanDerWaalsContact O-CG2 3.3Å; V93-V97 WeakPolarHBondContact O-CG2 3.18Å; V93-V97 PolarHBondContact O-N 3.23Å; V94-V97 PolarHBondContact O-N 3.5Å; V97-W99 VanDerWaalsContact C-N 3.3Å; V97-W99 PolarHBondContact O-N 2.95Å; V97-Q100 PolarHBondContact O-N 3.27Å; V97-M101 HydrophobicContact CG1-CG 4.49Å; V97-M101 HydrophobicContact CG1-SD 3.99Å; V97-M101 VanDerWaalsContact O-CG 3.31Å; V97-M101 WeakPolarHBondContact O-CG 3.49Å; V97-M101 PolarHBondContact O-N 2.8Å; V97-L110 HydrophobicContact CB-CD1 4.41Å; V97-L110 HydrophobicContact CG1-CD1 3.74Å; V97-L110 HydrophobicContact CG2-CD1 4.4Å; V97-L113 HydrophobicContact CG2-CD2 3.95Å
98L93.1Very high89.7Confident59 Ų5951.2 Ų51.231%0.30927%0.268SS..Hα-helixtrans-60.7-40.8177.4-69-179.8000111.6K36 L39 V94 M101 A102K36-L98 HydrophobicContact CB-CD2 3.99Å; K36-L98 HydrophobicContact CG-CD2 3.83Å; L39-L98 HydrophobicContact CD2-CG 4.43Å; V94-L98 HydrophobicContact CG1-CD1 3.8Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 WeakPolarHBondContact O-CB 3.24Å; V94-L98 WeakPolarHBondContact O-CG 3.36Å; V94-L98 PolarHBondContact O-N 3.37Å; L98-M101 PolarHBondContact O-N 2.98Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.48Å
99W91.6Very high90Very high57 Ų5747.5 Ų47.522%0.21625%0.254CS..Hα-helixtrans-64.1-44.6174.6172.182.9000112.4A72 A74 D95 N96 V97 M101 A102 S103 R105A72-W99 VanDerWaalsContact C-CH2 3.49Å; A72-W99 VanDerWaalsContact C-CZ2 3.45Å; A72-W99 HydrophobicContact CB-CH2 4.44Å; A72-W99 HydrophobicContact CB-CZ2 3.75Å; A72-W99 WeakPolarHBondContact O-CH2 3.18Å; A72-W99 VanDerWaalsContact O-CZ2 3.28Å; A72-W99 WeakPolarHBondContact O-CZ2 3.3Å; A74-W99 HydrophobicContact CB-CB 3.92Å; A74-W99 HydrophobicContact CB-CD2 4.31Å; A74-W99 HydrophobicContact CB-CE3 4.48Å; A74-W99 HydrophobicContact CB-CG 4.02Å; D95-W99 WeakPolarHBondContact O-CB 3.46Å; D95-W99 PolarHBondContact O-N 3.48Å; N96-W99 PolarHBondContact O-N 2.75Å; V97-W99 VanDerWaalsContact C-N 3.3Å; V97-W99 PolarHBondContact O-N 2.95Å; W99-M101 VanDerWaalsContact C-N 3.32Å; W99-M101 PolarHBondContact O-N 3.23Å; W99-A102 PolarHBondContact O-N 2.91Å; W99-S103 WeakPolarHBondContact O-CB 3.43Å; W99-S103 PolarHBondContact O-N 3.13Å; W99-S103 PolarHBondContact O-OG 2.85Å; W99-R105 VanDerWaalsContact CZ3-CD 3.49Å
100Q90.9Very high90.2Very high0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-60.5-43.8176.7-77.1-171.164.800111N96 V97 S103 D104 R105 S107 L110N96-Q100 PolarHBondContact ND2-NE2 2.92Å; N96-Q100 WeakPolarHBondContact O-CG 3.49Å; N96-Q100 PolarHBondContact O-N 3.18Å; N96-Q100 PolarHBondContact OD1-NE2 3.35Å; N96-Q100 VanDerWaalsContact OD1-NE2 3.08Å; V97-Q100 PolarHBondContact O-N 3.27Å; Q100-S103 CarbonylContact O-C 3.58Å; Q100-S103 PolarHBondContact O-N 2.61Å; Q100-D104 PolarHBondContact O-N 3.36Å; Q100-R105 HydrophobicContact CB-CB 4.11Å; Q100-R105 HydrophobicContact CG-CB 4.44Å; Q100-R105 WeakPolarHBondContact O-CB 3.42Å; Q100-R105 PolarHBondContact O-N 2.96Å; Q100-S107 PolarHBondContact OE1-OG 2.88Å; Q100-L110 HydrophobicContact CB-CD2 4.04Å
101M90.8Very high90.1Very high26 Ų2648.4 Ų48.413%0.12825%0.254CS..Hα-helixtrans-64.7-42.9176.5-70.2177.666.100112.5F32 I35 K36 V97 L98 W99 S103 D104 L110F32-M101 HydrophobicContact CB-CE 4.29Å; F32-M101 HydrophobicContact CD1-CE 4.04Å; F32-M101 WeakPolarHBondContact O-CE 3.42Å; I35-M101 HydrophobicContact CB-CE 4Å; I35-M101 HydrophobicContact CB-SD 4.27Å; I35-M101 HydrophobicContact CG2-CE 4.05Å; I35-M101 HydrophobicContact CG2-SD 3.64Å; K36-M101 HydrophobicContact CD-CE 4.37Å; K36-M101 HydrophobicContact CG-CE 3.65Å; K36-M101 HydrophobicContact CG-SD 4.31Å; V97-M101 HydrophobicContact CG1-CG 4.49Å; V97-M101 HydrophobicContact CG1-SD 3.99Å; V97-M101 VanDerWaalsContact O-CG 3.31Å; V97-M101 WeakPolarHBondContact O-CG 3.49Å; V97-M101 PolarHBondContact O-N 2.8Å; L98-M101 PolarHBondContact O-N 2.98Å; W99-M101 VanDerWaalsContact C-N 3.32Å; W99-M101 PolarHBondContact O-N 3.23Å; M101-S103 PolarHBondContact O-N 2.97Å; M101-D104 PolarHBondContact O-N 3.15Å; M101-L110 HydrophobicContact CG-CD1 4.22Å; M101-L110 HydrophobicContact CG-CD2 4.27Å
102A89.6Confident90.2Very high83 Ų8345.6 Ų45.669%0.68625%0.246SC*.Hα-helixtrans-63.2-25.5176.200000112.6L98 W99L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.48Å; W99-A102 PolarHBondContact O-N 2.91Å
103S87.1Confident90.5Very high59 Ų5941.6 Ų41.641%0.41323%0.227SC..THydrogen-bonded Turntrans-94.210.9179.6-54.80000113.8W99 Q100 M101 R105W99-S103 WeakPolarHBondContact O-CB 3.43Å; W99-S103 PolarHBondContact O-N 3.13Å; W99-S103 PolarHBondContact O-OG 2.85Å; Q100-S103 CarbonylContact O-C 3.58Å; Q100-S103 PolarHBondContact O-N 2.61Å; M101-S103 PolarHBondContact O-N 2.97Å; S103-R105 PolarHBondContact O-N 3.35Å; S103-R105 VanDerWaalsContact O-N 3.1Å
104D85.2Confident90.6Very high111 Ų11141.8 Ų41.859%0.59423%0.228SC*.THydrogen-bonded Turntrans46.935.9-172.5-167.737.6000113.3Q100 M101 K106Q100-D104 PolarHBondContact O-N 3.36Å; M101-D104 PolarHBondContact O-N 3.15Å; D104-K106 WeakPolarHBondContact OD1-CE 3.23Å; D104-K106 IonicContact OD1-NZ 3.53Å; D104-K106 IonicContact OD2-NZ 2.61Å; D104-K106 PolarHBondContact OD2-NZ 3.05Å
105R84.8Confident90.6Very high50 Ų5041.1 Ų41.119%0.18922%0.224CC..  trans-77.1137.6177.5-68.7-175.858.6119.612.1109.5D66 W99 Q100 S103 L110D66-R105 IonicContact OD1-CZ 3.84Å; D66-R105 IonicContact OD1-NH1 3.67Å; D66-R105 PolarHBondContact OD1-NH1 2.85Å; D66-R105 IonicContact OD1-NH2 2.59Å; D66-R105 PolarHBondContact OD1-NH2 3.4Å; D66-R105 IonicContact OD2-CZ 3.43Å; D66-R105 VanDerWaalsContact OD2-CZ 3.28Å; D66-R105 IonicContact OD2-NH1 3.27Å; D66-R105 IonicContact OD2-NH2 2.76Å; D66-R105 PolarHBondContact OD2-NH2 3.11Å; W99-R105 VanDerWaalsContact CZ3-CD 3.49Å; Q100-R105 HydrophobicContact CB-CB 4.11Å; Q100-R105 HydrophobicContact CG-CB 4.44Å; Q100-R105 WeakPolarHBondContact O-CB 3.42Å; Q100-R105 PolarHBondContact O-N 2.96Å; S103-R105 PolarHBondContact O-N 3.35Å; S103-R105 VanDerWaalsContact O-N 3.1Å; R105-L110 WeakPolarHBondContact O-CD2 3.39Å
106K83.2Confident90.9Very high115 Ų11538.9 Ų38.950%0.521%0.211SC..  trans-121.943.8-175.4-60.5-178.8-172.2176.90111.4D104D104-K106 WeakPolarHBondContact OD1-CE 3.23Å; D104-K106 IonicContact OD1-NZ 3.53Å; D104-K106 IonicContact OD2-NZ 2.61Å; D104-K106 PolarHBondContact OD2-NZ 3.05Å
107S87.2Confident91.2Very high14 Ų1438.6 Ų38.610%0.09821%0.21CC..  trans-65.2150.8-179.570.40000111.2Q100 A109 L110 K111Q100-S107 PolarHBondContact OE1-OG 2.88Å; S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 2.78Å; S107-L110 PolarHBondContact O-N 2.65Å; S107-L110 VanDerWaalsContact OG-CB 3.25Å; S107-L110 WeakPolarHBondContact OG-CB 3.4Å; S107-L110 PolarHBondContact OG-N 2.79Å; S107-L110 VanDerWaalsContact OG-N 3.16Å; S107-K111 WeakPolarHBondContact O-CG 3.46Å; S107-K111 PolarHBondContact O-N 2.82Å
108T88Confident91.3Very high107 Ų10739.6 Ų39.666%0.65621%0.214SC*.Hα-helixtrans-58.7-41.1176.4-56.40000111.3L110 K111 Q112T108-L110 PolarHBondContact O-N 2.71Å; T108-K111 PolarHBondContact O-N 3.49Å; T108-Q112 WeakPolarHBondContact O-CB 3.36Å; T108-Q112 PolarHBondContact O-N 3.06Å
109A92Very high91.5Very high6 Ų640.7 Ų40.75%0.0521%0.214CC..Hα-helixtrans-60.4-44.5177.900000112.3L58 L59 Q62 S107 Q112 L113L58-A109 HydrophobicContact CB-CB 3.89Å; L59-A109 HydrophobicContact CD2-CB 3.93Å; L59-A109 HydrophobicContact CG-CB 4.23Å; Q62-A109 HydrophobicContact CB-CB 4.03Å; Q62-A109 HydrophobicContact CG-CB 4.48Å; S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 2.78Å; A109-Q112 PolarHBondContact O-N 3.48Å; A109-L113 PolarHBondContact O-N 2.96Å
110L92.9Very high91.7Very high3 Ų339.8 Ų39.82%0.01622%0.218CC..Hα-helixtrans-64-47.8176.7178.867.1000111.6V97 Q100 M101 R105 S107 T108 Q112 L113 Q114V97-L110 HydrophobicContact CB-CD1 4.41Å; V97-L110 HydrophobicContact CG1-CD1 3.74Å; V97-L110 HydrophobicContact CG2-CD1 4.4Å; Q100-L110 HydrophobicContact CB-CD2 4.04Å; M101-L110 HydrophobicContact CG-CD1 4.22Å; M101-L110 HydrophobicContact CG-CD2 4.27Å; R105-L110 WeakPolarHBondContact O-CD2 3.39Å; S107-L110 PolarHBondContact O-N 2.65Å; S107-L110 VanDerWaalsContact OG-CB 3.25Å; S107-L110 WeakPolarHBondContact OG-CB 3.4Å; S107-L110 PolarHBondContact OG-N 2.79Å; S107-L110 VanDerWaalsContact OG-N 3.16Å; T108-L110 PolarHBondContact O-N 2.71Å; L110-Q112 PolarHBondContact O-N 3.02Å; L110-L113 PolarHBondContact O-N 3.22Å; L110-Q114 HydrophobicContact CD1-CG 4.27Å; L110-Q114 HydrophobicContact CG-CG 4.36Å; L110-Q114 WeakPolarHBondContact O-CB 3.35Å; L110-Q114 VanDerWaalsContact O-CG 3.27Å; L110-Q114 WeakPolarHBondContact O-CG 3.36Å; L110-Q114 PolarHBondContact O-N 2.85Å
111K91.3Very high92Very high38 Ų3839.8 Ų39.817%0.16522%0.218CC..Hα-helixtrans-61.1-34.2-179.3-71.4-172.3-176-1680112.2S107 T108 G115 S154 T182S107-K111 WeakPolarHBondContact O-CG 3.46Å; S107-K111 PolarHBondContact O-N 2.82Å; T108-K111 PolarHBondContact O-N 3.49Å; K111-G115 PolarHBondContact O-N 2.89Å; K111-S154 PolarHBondContact NZ-O 2.71Å; K111-T182 PolarHBondContact NZ-OG1 3.33Å
112Q93.1Very high92.4Very high55 Ų5538.8 Ų38.826%0.25721%0.213SC..Hα-helixtrans-64.9-54.5179.1-169.3177.6-71.600111.3D55 L58 T108 A109 L110 Q114 G115 H116D55-Q112 WeakPolarHBondContact OD1-CG 3.41Å; D55-Q112 PolarHBondContact OD1-NE2 2.91Å; L58-Q112 VanDerWaalsContact CD1-NE2 3.34Å; L58-Q112 VanDerWaalsContact CD1-OE1 3.28Å; T108-Q112 WeakPolarHBondContact O-CB 3.36Å; T108-Q112 PolarHBondContact O-N 3.06Å; A109-Q112 PolarHBondContact O-N 3.48Å; L110-Q112 PolarHBondContact O-N 3.02Å; Q112-Q114 VanDerWaalsContact C-N 3.31Å; Q112-Q114 PolarHBondContact O-N 3.32Å; Q112-G115 WeakPolarHBondContact O-CA 3.38Å; Q112-G115 PolarHBondContact O-N 2.94Å; Q112-G115 VanDerWaalsContact O-N 3.07Å; Q112-H116 PolarHBondContact O-N 3.03Å; Q112-H116 VanDerWaalsContact O-N 3.08Å
113L95.6Very high92.7Very high0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-57.7-44.9177177.162.2000111.6L39 Y42 L43 D55 L59 V97 A109 L110 G115 H116 M117L39-L113 HydrophobicContact CD1-CD2 3.83Å; Y42-L113 HydrophobicContact CD1-CD1 4.33Å; Y42-L113 HydrophobicContact CE1-CD1 3.97Å; L43-L113 HydrophobicContact CD2-CD1 4.35Å; D55-L113 HydrophobicContact CB-CB 4.25Å; D55-L113 HydrophobicContact CB-CD1 4.1Å; L59-L113 HydrophobicContact CD1-CB 4.38Å; L59-L113 HydrophobicContact CD1-CD2 3.65Å; V97-L113 HydrophobicContact CG2-CD2 3.95Å; A109-L113 PolarHBondContact O-N 2.96Å; L110-L113 PolarHBondContact O-N 3.22Å; L113-G115 VanDerWaalsContact C-N 3.29Å; L113-G115 PolarHBondContact O-N 3.21Å; L113-H116 PolarHBondContact O-N 3.35Å; L113-M117 HydrophobicContact CD1-CG 4.29Å; L113-M117 HydrophobicContact CD1-SD 4.42Å; L113-M117 HydrophobicContact CG-CG 4.5Å; L113-M117 HydrophobicContact CG-SD 4.19Å; L113-M117 WeakPolarHBondContact O-CG 3.33Å; L113-M117 PolarHBondContact O-N 3.17Å
114Q95.1Very high93.1Very high10 Ų1038.1 Ų38.15%0.04721%0.211CC..Hα-helixtrans-59.1-41.4177-71.6175.5-26.300111.9I35 L110 Q112 M117 W118I35-Q114 HydrophobicContact CD1-CB 4.29Å; I35-Q114 HydrophobicContact CD1-CG 4.3Å; I35-Q114 HydrophobicContact CG1-CG 4.19Å; I35-Q114 HydrophobicContact CG2-CG 4.25Å; L110-Q114 HydrophobicContact CD1-CG 4.27Å; L110-Q114 HydrophobicContact CG-CG 4.36Å; L110-Q114 WeakPolarHBondContact O-CB 3.35Å; L110-Q114 VanDerWaalsContact O-CG 3.27Å; L110-Q114 WeakPolarHBondContact O-CG 3.36Å; L110-Q114 PolarHBondContact O-N 2.85Å; Q112-Q114 VanDerWaalsContact C-N 3.31Å; Q112-Q114 PolarHBondContact O-N 3.32Å; Q114-M117 PolarHBondContact O-N 2.94Å; Q114-W118 HydrophobicContact CB-CE3 4.03Å; Q114-W118 HydrophobicContact CB-CH2 3.84Å; Q114-W118 HydrophobicContact CB-CZ2 4.35Å; Q114-W118 HydrophobicContact CB-CZ3 3.67Å; Q114-W118 HydrophobicContact CG-CH2 4.45Å; Q114-W118 WeakPolarHBondContact O-CB 3.46Å; Q114-W118 VanDerWaalsContact O-CD2 3.23Å; Q114-W118 PolarHBondContact O-N 2.89Å
115G94.7Very high93.6Very high0 Ų035.1 Ų35.10%021%0.206CC..Hα-helixtrans-57.3-49.6174.800000112.6K111 Q112 L113 W118 R119K111-G115 PolarHBondContact O-N 2.89Å; Q112-G115 WeakPolarHBondContact O-CA 3.38Å; Q112-G115 PolarHBondContact O-N 2.94Å; Q112-G115 VanDerWaalsContact O-N 3.07Å; L113-G115 VanDerWaalsContact C-N 3.29Å; L113-G115 PolarHBondContact O-N 3.21Å; G115-W118 PolarHBondContact O-N 3.34Å; G115-R119 WeakPolarHBondContact O-CB 3.44Å; G115-R119 PolarHBondContact O-N 3.47Å
116H96.8Very high94.1Very high15 Ų1540 Ų407%0.06922%0.224CC..Hα-helixtrans-65.2-42.4179.6-58.8160.6000112.4Y42 E51 D55 Q112 L113 R119 A120Y42-H116 WeakPolarHBondContact OH-CB 3.48Å; E51-H116 VanDerWaalsContact CG-CE1 3.41Å; E51-H116 WeakPolarHBondContact CG-CE1 3.48Å; E51-H116 IonicContact OE1-CD2 3.11Å; E51-H116 IonicContact OE1-CE1 2.74Å; E51-H116 IonicContact OE1-NE2 3.1Å; E51-H116 PolarHBondContact OE1-NE2 2.77Å; E51-H116 IonicContact OE2-CG 2.75Å; E51-H116 IonicContact OE2-ND1 3.51Å; D55-H116 VanDerWaalsContact CG-ND1 3.28Å; D55-H116 IonicContact OD1-CE1 2.75Å; D55-H116 PolarHBondContact OD1-CE1 3.38Å; D55-H116 IonicContact OD1-ND1 3.67Å; D55-H116 PolarHBondContact OD1-ND1 2.99Å; D55-H116 VanDerWaalsContact OD1-ND1 3.1Å; D55-H116 IonicContact OD2-CE1 3.42Å; D55-H116 IonicContact OD2-CG 3.48Å; D55-H116 IonicContact OD2-ND1 3.18Å; D55-H116 PolarHBondContact OD2-ND1 2.67Å; Q112-H116 PolarHBondContact O-N 3.03Å; Q112-H116 VanDerWaalsContact O-N 3.08Å; L113-H116 PolarHBondContact O-N 3.35Å; H116-R119 WeakPolarHBondContact O-CB 3.45Å; H116-R119 PolarHBondContact O-N 3.1Å; H116-A120 PolarHBondContact O-N 3.24Å
117M97.7Very high94.7Very high2 Ų234.8 Ų34.81%0.0120%0.202CC..Hα-helixtrans-60.4-46.3174.6-73.2-178.669.100112.2I35 H38 L39 Y42 L113 Q114 R119 A120 A121I35-M117 HydrophobicContact CB-CE 4.46Å; I35-M117 HydrophobicContact CD1-CB 3.59Å; I35-M117 HydrophobicContact CD1-CE 3.9Å; I35-M117 HydrophobicContact CD1-CG 4.34Å; I35-M117 HydrophobicContact CD1-SD 3.86Å; I35-M117 HydrophobicContact CG2-CE 4.15Å; I35-M117 HydrophobicContact CG2-SD 4.06Å; H38-M117 HydrophobicContact CB-CE 4.46Å; L39-M117 HydrophobicContact CB-CE 4.14Å; L39-M117 HydrophobicContact CD1-CE 4.21Å; L39-M117 HydrophobicContact CD1-SD 3.66Å; Y42-M117 HydrophobicContact CD1-CG 3.54Å; Y42-M117 HydrophobicContact CD1-SD 4.26Å; Y42-M117 HydrophobicContact CD2-CG 3.9Å; Y42-M117 HydrophobicContact CE1-CG 3.68Å; Y42-M117 HydrophobicContact CE2-CB 4.46Å; Y42-M117 HydrophobicContact CE2-CG 4.01Å; Y42-M117 HydrophobicContact CG-CE 4.38Å; Y42-M117 HydrophobicContact CG-CG 3.66Å; Y42-M117 HydrophobicContact CG-SD 4.41Å; L113-M117 HydrophobicContact CD1-CG 4.29Å; L113-M117 HydrophobicContact CD1-SD 4.42Å; L113-M117 HydrophobicContact CG-CG 4.5Å; L113-M117 HydrophobicContact CG-SD 4.19Å; L113-M117 WeakPolarHBondContact O-CG 3.33Å; L113-M117 PolarHBondContact O-N 3.17Å; Q114-M117 PolarHBondContact O-N 2.94Å; M117-R119 VanDerWaalsContact C-N 3.33Å; M117-R119 PolarHBondContact O-N 3.4Å; M117-A120 PolarHBondContact O-N 3Å; M117-A121 WeakPolarHBondContact O-CB 3.39Å; M117-A121 PolarHBondContact O-N 2.68Å
118W97.3Very high95.2Very high22 Ų2240.3 Ų40.38%0.08322%0.224CC..Hα-helixtrans-64.1-39.4176.1-72.9-40.8000111.6L31 F32 I35 Q114 G115 A120 A121 Y122 A159 L162L31-W118 HydrophobicContact CB-CZ2 4.16Å; L31-W118 PolarHBondContact O-NE1 3.35Å; F32-W118 HydrophobicContact CD1-CZ2 4.36Å; F32-W118 HydrophobicContact CE1-CH2 4.23Å; F32-W118 HydrophobicContact CE1-CZ2 4.4Å; I35-W118 HydrophobicContact CD1-CD2 4.29Å; I35-W118 HydrophobicContact CD1-CG 4.33Å; I35-W118 HydrophobicContact CD1-CZ2 4.35Å; I35-W118 HydrophobicContact CG1-CZ2 3.92Å; Q114-W118 HydrophobicContact CB-CE3 4.03Å; Q114-W118 HydrophobicContact CB-CH2 3.84Å; Q114-W118 HydrophobicContact CB-CZ2 4.35Å; Q114-W118 HydrophobicContact CB-CZ3 3.67Å; Q114-W118 HydrophobicContact CG-CH2 4.45Å; Q114-W118 WeakPolarHBondContact O-CB 3.46Å; Q114-W118 VanDerWaalsContact O-CD2 3.23Å; Q114-W118 PolarHBondContact O-N 2.89Å; G115-W118 PolarHBondContact O-N 3.34Å; W118-A120 VanDerWaalsContact C-N 3.31Å; W118-A120 PolarHBondContact O-N 3.05Å; W118-A121 WeakPolarHBondContact O-CB 3.38Å; W118-A121 PolarHBondContact O-N 3.22Å; W118-A121 VanDerWaalsContact O-N 3.1Å; W118-Y122 HydrophobicContact CB-CD2 4.11Å; W118-Y122 HydrophobicContact CB-CE2 4.13Å; W118-Y122 WeakPolarHBondContact O-CB 3.48Å; W118-Y122 WeakPolarHBondContact O-CD2 3.26Å; W118-Y122 PolarHBondContact O-N 3.36Å; W118-A159 HydrophobicContact CE3-CB 4.12Å; W118-A159 HydrophobicContact CZ3-CB 4.17Å; W118-L162 HydrophobicContact CB-CD1 4.21Å
119R96.9Very high95.6Very high82 Ų8235.2 Ų35.231%0.30919%0.193SC..Hα-helixtrans-57.4-45.7176.7-175.5175.162.3-171.83.8111.4E51 G115 H116 M117 A123 E158 L162E51-R119 IonicContact OE1-CZ 3.68Å; E51-R119 IonicContact OE1-NH1 3.48Å; E51-R119 PolarHBondContact OE1-NH1 2.82Å; E51-R119 IonicContact OE1-NH2 2.73Å; E51-R119 PolarHBondContact OE1-NH2 2.9Å; E51-R119 IonicContact OE2-CZ 3.21Å; E51-R119 IonicContact OE2-NH2 3.42Å; E51-R119 PolarHBondContact OE2-NH2 3.15Å; G115-R119 WeakPolarHBondContact O-CB 3.44Å; G115-R119 PolarHBondContact O-N 3.47Å; H116-R119 WeakPolarHBondContact O-CB 3.45Å; H116-R119 PolarHBondContact O-N 3.1Å; M117-R119 VanDerWaalsContact C-N 3.33Å; M117-R119 PolarHBondContact O-N 3.4Å; R119-A123 WeakPolarHBondContact O-CB 3.37Å; R119-A123 PolarHBondContact O-N 3.26Å; R119-E158 IonicContact NH1-OE1 3.54Å; R119-L162 HydrophobicContact CB-CD1 3.84Å; R119-L162 HydrophobicContact CB-CD2 4.05Å; R119-L162 HydrophobicContact CG-CD2 3.99Å
120A96.6Very high95.9Very high37 Ų3738.5 Ų38.531%0.30621%0.207SC..Hα-helixtrans-62.7-43.2174.600000112Y42 H116 M117 W118 A124Y42-A120 HydrophobicContact CE2-CB 4.06Å; H116-A120 PolarHBondContact O-N 3.24Å; M117-A120 PolarHBondContact O-N 3Å; W118-A120 VanDerWaalsContact C-N 3.31Å; W118-A120 PolarHBondContact O-N 3.05Å; A120-A124 VanDerWaalsContact O-CB 3.24Å; A120-A124 WeakPolarHBondContact O-CB 3.17Å; A120-A124 PolarHBondContact O-N 3.32Å
121A97.2Very high96.1Very high0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-62.9-46.1-18000000113.2Y34 M117 W118 G125 R126 I127Y34-A121 HydrophobicContact CD1-CB 4.21Å; Y34-A121 HydrophobicContact CE1-CB 3.42Å; Y34-A121 VanDerWaalsContact CE1-CB 3.42Å; Y34-A121 HydrophobicContact CE2-CB 4.09Å; Y34-A121 VanDerWaalsContact OH-CB 3.31Å; Y34-A121 WeakPolarHBondContact OH-CB 3.23Å; M117-A121 WeakPolarHBondContact O-CB 3.39Å; M117-A121 PolarHBondContact O-N 2.68Å; W118-A121 WeakPolarHBondContact O-CB 3.38Å; W118-A121 PolarHBondContact O-N 3.22Å; W118-A121 VanDerWaalsContact O-N 3.1Å; A121-G125 PolarHBondContact O-N 2.76Å; A121-R126 PolarHBondContact O-N 2.9Å; A121-I127 HydrophobicContact CB-CD1 3.64Å; A121-I127 HydrophobicContact CB-CG1 3.94Å; A121-I127 PolarHBondContact O-N 2.94Å
122Y97.3Very high96.4Very high6 Ų638.7 Ų38.72%0.02421%0.208CC..Hα-helixtrans-67-46.6177.6-80.9-63.9000111.7L31 W118 A124 G125 I127 L162 Y166L31-Y122 WeakPolarHBondContact CD2-OH 3.29Å; W118-Y122 HydrophobicContact CB-CD2 4.11Å; W118-Y122 HydrophobicContact CB-CE2 4.13Å; W118-Y122 WeakPolarHBondContact O-CB 3.48Å; W118-Y122 WeakPolarHBondContact O-CD2 3.26Å; W118-Y122 PolarHBondContact O-N 3.36Å; Y122-A124 VanDerWaalsContact C-N 3.26Å; Y122-A124 PolarHBondContact O-N 3.36Å; Y122-G125 PolarHBondContact O-N 2.59Å; Y122-I127 HydrophobicContact CD1-CB 4.12Å; Y122-I127 HydrophobicContact CD1-CG2 4.18Å; Y122-I127 VanDerWaalsContact CD1-O 3.29Å; Y122-I127 WeakPolarHBondContact CD1-O 3.37Å; Y122-I127 HydrophobicContact CE1-CB 4.04Å; Y122-I127 HydrophobicContact CE1-CG2 3.59Å; Y122-L162 HydrophobicContact CD2-CB 3.64Å; Y122-L162 HydrophobicContact CD2-CD1 4.38Å; Y122-L162 HydrophobicContact CD2-CG 4.42Å; Y122-L162 HydrophobicContact CE2-CB 3.82Å; Y122-L162 HydrophobicContact CG-CB 4.42Å; Y122-Y166 VanDerWaalsContact CD1-CB 3.48Å; Y122-Y166 HydrophobicContact CD1-CG 4.18Å; Y122-Y166 HydrophobicContact CG-CD2 4.25Å; Y122-Y166 HydrophobicContact CG-CG 4.23Å; Y122-Y166 WeakPolarHBondContact O-CD1 3.29Å
123A95.9Very high96.6Very high64 Ų6444 Ų4453%0.52923%0.233SC..Hα-helixtrans-61.4-35.8178.100000112.4R119 G125R119-A123 WeakPolarHBondContact O-CB 3.37Å; R119-A123 PolarHBondContact O-N 3.26Å; A123-G125 PolarHBondContact O-N 3.34Å
124A96.3Very high96.7Very high64 Ų6445.4 Ų45.453%0.52924%0.24SC..THydrogen-bonded Turntrans-78.6-3.9174.900000113.8A120 Y122 R126A120-A124 VanDerWaalsContact O-CB 3.24Å; A120-A124 WeakPolarHBondContact O-CB 3.17Å; A120-A124 PolarHBondContact O-N 3.32Å; Y122-A124 VanDerWaalsContact C-N 3.26Å; Y122-A124 PolarHBondContact O-N 3.36Å; A124-R126 HydrophobicContact CB-CG 4.01Å; A124-R126 PolarHBondContact O-N 3.2Å
125G95.4Very high96.9Very high47 Ų4745 Ų4549%0.48524%0.238SC..THydrogen-bonded Turntrans6916.8-177.300000114.6A121 Y122 A123 I127A121-G125 PolarHBondContact O-N 2.76Å; Y122-G125 PolarHBondContact O-N 2.59Å; A123-G125 PolarHBondContact O-N 3.34Å; G125-I127 VanDerWaalsContact C-N 3.35Å
126R96.1Very high97Very high153 Ų15345.2 Ų45.258%0.57724%0.239SC*.SBendtrans-73.9-29.6177.2-62.5178.6-172.9175.60.2111.9Y34 A121 A124Y34-R126 HydrophobicContact CE2-CB 4.24Å; Y34-R126 WeakPolarHBondContact OH-CD 3.12Å; Y34-R126 PolarHBondContact OH-NH1 3.24Å; A121-R126 PolarHBondContact O-N 2.9Å; A124-R126 HydrophobicContact CB-CG 4.01Å; A124-R126 PolarHBondContact O-N 3.2Å
127I96.3Very high97.1Very high6 Ų647.9 Ų47.93%0.03126%0.258CS..  trans-124.1144.3172.5-54.4174.8000107.7F26 I30 L31 Y34 A121 Y122 G125F26-I127 HydrophobicContact CE2-CG2 4.23Å; F26-I127 HydrophobicContact CZ-CG2 3.79Å; I30-I127 HydrophobicContact CG2-CG2 4.39Å; L31-I127 HydrophobicContact CD2-CD1 4.35Å; L31-I127 HydrophobicContact CD2-CG2 4.02Å; Y34-I127 HydrophobicContact CD1-CD1 3.8Å; Y34-I127 HydrophobicContact CD2-CD1 3.66Å; Y34-I127 HydrophobicContact CD2-CG1 3.89Å; Y34-I127 HydrophobicContact CE1-CD1 4.23Å; Y34-I127 HydrophobicContact CE2-CD1 4.08Å; Y34-I127 HydrophobicContact CE2-CG1 4.1Å; Y34-I127 HydrophobicContact CG-CD1 3.51Å; Y34-I127 HydrophobicContact CG-CG1 4.27Å; A121-I127 HydrophobicContact CB-CD1 3.64Å; A121-I127 HydrophobicContact CB-CG1 3.94Å; A121-I127 PolarHBondContact O-N 2.94Å; Y122-I127 HydrophobicContact CD1-CB 4.12Å; Y122-I127 HydrophobicContact CD1-CG2 4.18Å; Y122-I127 VanDerWaalsContact CD1-O 3.29Å; Y122-I127 WeakPolarHBondContact CD1-O 3.37Å; Y122-I127 HydrophobicContact CE1-CB 4.04Å; Y122-I127 HydrophobicContact CE1-CG2 3.59Å; G125-I127 VanDerWaalsContact C-N 3.35Å
128K96.9Very high97.1Very high129 Ų12948 Ų4856%0.56126%0.26SS*.  trans-125.1139.8165.9-70.7-167.9174.3-170.70109.3F26 E130 Y166 V168F26-K128 WeakPolarHBondContact CE2-O 3.42Å; F26-K128 WeakPolarHBondContact CZ-O 3.14Å; K128-E130 PolarHBondContact O-N 3.43Å; K128-Y166 CarbonylContact C-O 3.52Å; K128-Y166 WeakPolarHBondContact CA-O 3.49Å; K128-V168 HydrophobicContact CB-CG1 3.98Å
129G96.9Very high97.2Very high0 Ų047 Ų470%026%0.256CS..BIsolated β-bridgetrans-68.7117.6-177.500000109.9Y166 S167 V168G129-Y166 PolarHBondContact N-O 3.25Å; G129-S167 CarbonylContact O-C 3.57Å; G129-S167 WeakPolarHBondContact O-CA 3.39Å; G129-S167 WeakPolarHBondContact O-CB 3.42Å; G129-V168 PolarHBondContact O-N 2.96Å
130E97.4Very high97.2Very high75 Ų7549 Ų4935%0.3526%0.263SS..  trans-79.9131.7177.6-167.3168.9173.100110T22 P23 F26 K128T22-E130 WeakPolarHBondContact CB-O 3.36Å; T22-E130 WeakPolarHBondContact CG2-O 3.46Å; T22-E130 PolarHBondContact OG1-O 2.97Å; T22-E130 VanDerWaalsContact OG1-O 3.12Å; P23-E130 HydrophobicContact CG-CG 4.05Å; F26-E130 HydrophobicContact CB-CB 4.09Å; F26-E130 HydrophobicContact CD1-CB 4.31Å; F26-E130 HydrophobicContact CD2-CB 3.43Å; F26-E130 VanDerWaalsContact CD2-CB 3.43Å; F26-E130 HydrophobicContact CE2-CB 3.92Å; F26-E130 HydrophobicContact CG-CB 3.68Å; K128-E130 PolarHBondContact O-N 3.43Å
131V97.4Very high97.2Very high8 Ų850.3 Ų50.35%0.04826%0.26CS..  trans-134.5142.6173.7-67.70000108.6T21 V136 F164 V168 E169T21-V131 CarbonylContact O-C 3.57Å; T21-V131 WeakPolarHBondContact O-CA 3.34Å; V131-V136 HydrophobicContact CG2-CG2 4.35Å; V131-F164 HydrophobicContact CG1-CD1 4.21Å; V131-F164 HydrophobicContact CG1-CE1 3.99Å; V131-V168 HydrophobicContact CG2-CG2 4.07Å; V131-E169 HydrophobicContact CG2-CG 3.84Å
132Y97.9Very high97.2Very high37 Ų3750.3 Ų50.315%0.14526%0.26CS..  trans-62.6141176.1-68.4-72.8000110.6T21 P23 D134 V135 R232T21-Y132 WeakPolarHBondContact O-CD2 3.14Å; T21-Y132 PolarHBondContact O-N 3.44Å; P23-Y132 VanDerWaalsContact CA-OH 3.25Å; P23-Y132 WeakPolarHBondContact CA-OH 3.29Å; P23-Y132 HydrophobicContact CB-CE1 4.44Å; P23-Y132 HydrophobicContact CG-CD1 4.37Å; P23-Y132 HydrophobicContact CG-CE1 3.76Å; P23-Y132 HydrophobicContact CG-CE2 4.2Å; Y132-D134 WeakPolarHBondContact CB-OD1 3.46Å; Y132-D134 PolarHBondContact O-N 2.83Å; Y132-V135 VanDerWaalsContact O-CB 3.31Å; Y132-V135 WeakPolarHBondContact O-CB 3.33Å; Y132-V135 WeakPolarHBondContact O-CG2 3.3Å; Y132-V135 PolarHBondContact O-N 3.37Å; Y132-R232 HydrophobicContact CD2-CG 4.22Å; Y132-R232 HydrophobicContact CE2-CB 3.99Å; Y132-R232 HydrophobicContact CE2-CG 3.56Å; Y132-R232 WeakPolarHBondContact OH-CB 3.46Å
133Q97.2Very high97.2Very high167 Ų16753.5 Ų53.578%0.7827%0.272SS*.THydrogen-bonded Turntrans-58.2-25.2-173.6-68-177.8-1000114P137Q133-P137 WeakPolarHBondContact O-CD 3.44Å; Q133-P137 WeakPolarHBondContact O-CG 3.31Å
134D97.8Very high97.2Very high30 Ų3059.9 Ų59.916%0.1628%0.283CS..THydrogen-bonded Turntrans-84.7-12.4179.263.3-71.3000114Y132 S138 R232 T251 F252Y132-D134 WeakPolarHBondContact CB-OD1 3.46Å; Y132-D134 PolarHBondContact O-N 2.83Å; D134-S138 WeakPolarHBondContact O-CB 3.48Å; D134-S138 PolarHBondContact O-N 3.24Å; D134-S138 PolarHBondContact O-OG 3.23Å; D134-R232 IonicContact OD1-CZ 3.93Å; D134-R232 IonicContact OD1-NH1 3.9Å; D134-R232 PolarHBondContact OD1-NH1 2.82Å; D134-R232 IonicContact OD1-NH2 3.01Å; D134-R232 PolarHBondContact OD1-NH2 3.01Å; D134-R232 IonicContact OD2-CZ 3.76Å; D134-R232 IonicContact OD2-NH1 3.38Å; D134-R232 PolarHBondContact OD2-NH1 3.25Å; D134-R232 IonicContact OD2-NH2 3.59Å; D134-R232 PolarHBondContact OD2-NH2 3.01Å; D134-T251 VanDerWaalsContact CB-OG1 3.24Å; D134-T251 WeakPolarHBondContact CB-OG1 3.47Å; D134-T251 VanDerWaalsContact OD2-CA 3.23Å; D134-T251 WeakPolarHBondContact OD2-CA 3.34Å; D134-T251 WeakPolarHBondContact OD2-CB 3.39Å; D134-T251 PolarHBondContact OD2-OG1 3.43Å; D134-F252 PolarHBondContact OD2-N 3.1Å
135V98.3Very high97.1Very high1 Ų160.3 Ų60.31%0.00627%0.274CS..Hα-helixtrans-69.5-59.1-173.7171.30000111.3T21 Y132 S138 I139 F252T21-V135 HydrophobicContact CG2-CG1 3.83Å; T21-V135 HydrophobicContact CG2-CG2 4.31Å; Y132-V135 VanDerWaalsContact O-CB 3.31Å; Y132-V135 WeakPolarHBondContact O-CB 3.33Å; Y132-V135 WeakPolarHBondContact O-CG2 3.3Å; Y132-V135 PolarHBondContact O-N 3.37Å; V135-S138 PolarHBondContact O-N 2.88Å; V135-I139 HydrophobicContact CG1-CD1 3.61Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 WeakPolarHBondContact O-CG1 3.24Å; V135-I139 PolarHBondContact O-N 2.92Å; V135-F252 HydrophobicContact CB-CD2 4.32Å; V135-F252 HydrophobicContact CB-CE2 4.43Å; V135-F252 HydrophobicContact CG1-CD2 4.34Å; V135-F252 HydrophobicContact CG1-CE2 4.09Å; V135-F252 HydrophobicContact CG2-CD2 4.06Å; V135-F252 HydrophobicContact CG2-CE2 4.02Å; V135-F252 HydrophobicContact CG2-CZ 4.5Å
136V98.3Very high97.1Very high4 Ų461.1 Ų61.12%0.02428%0.282CS..Hα-helixtrans-60.8-46.4-176.1168.30000112.3V131 S138 I139 R140 E169 V172 L175V131-V136 HydrophobicContact CG2-CG2 4.35Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.06Å; V136-I139 PolarHBondContact O-N 3.39Å; V136-R140 VanDerWaalsContact CG1-CZ 3.47Å; V136-R140 WeakPolarHBondContact O-CG 3.17Å; V136-R140 PolarHBondContact O-N 3.49Å; V136-E169 HydrophobicContact CG2-CB 4.22Å; V136-E169 HydrophobicContact CG2-CG 4.07Å; V136-V172 HydrophobicContact CG1-CG1 4.4Å; V136-V172 HydrophobicContact CG2-CG1 4.08Å; V136-V172 HydrophobicContact CG2-CG2 4.48Å; V136-L175 HydrophobicContact CG1-CD1 3.97Å; V136-L175 HydrophobicContact CG2-CD1 4.45Å
137P97.9Very high97.2Very high71 Ų7154.4 Ų54.446%0.46126%0.257SS..Hα-helixtrans-59.8-39.1175-25.135.4000113.4Q133 R141Q133-P137 WeakPolarHBondContact O-CD 3.44Å; Q133-P137 WeakPolarHBondContact O-CG 3.31Å; P137-R141 PolarHBondContact O-N 3.05Å
138S98.1Very high97.3Very high6 Ų659 Ų594%0.04228%0.277CS..Hα-helixtrans-70-43.9-179.7-59.20000111.6D134 V135 V136 R140 R141 W142 F252 S253D134-S138 WeakPolarHBondContact O-CB 3.48Å; D134-S138 PolarHBondContact O-N 3.24Å; D134-S138 PolarHBondContact O-OG 3.23Å; V135-S138 PolarHBondContact O-N 2.88Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.06Å; S138-R140 VanDerWaalsContact C-N 3.35Å; S138-R140 PolarHBondContact O-N 3.49Å; S138-R141 WeakPolarHBondContact O-CB 3.13Å; S138-R141 PolarHBondContact O-N 2.82Å; S138-R141 VanDerWaalsContact O-N 3.08Å; S138-W142 PolarHBondContact O-N 3.37Å; S138-F252 VanDerWaalsContact CB-CB 3.44Å; S138-F252 VanDerWaalsContact OG-CB 3.3Å; S138-F252 WeakPolarHBondContact OG-CB 3.29Å; S138-S253 PolarHBondContact OG-N 3.19Å
139I98.1Very high97.4Very high1 Ų152.8 Ų52.81%0.00525%0.25CS..Hα-helixtrans-59.8-45.9174.9-66.7170.3000110.7L15 V135 V136 R141 W142 R143 V149 L175 F176L15-I139 HydrophobicContact CD1-CD1 3.81Å; L15-I139 HydrophobicContact CD1-CG1 4.13Å; V135-I139 HydrophobicContact CG1-CD1 3.61Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 WeakPolarHBondContact O-CG1 3.24Å; V135-I139 PolarHBondContact O-N 2.92Å; V136-I139 PolarHBondContact O-N 3.39Å; I139-R141 VanDerWaalsContact C-N 3.26Å; I139-R141 PolarHBondContact O-N 2.9Å; I139-W142 HydrophobicContact CB-CE3 4.31Å; I139-W142 HydrophobicContact CG1-CE3 3.89Å; I139-W142 HydrophobicContact CG1-CZ3 3.81Å; I139-W142 PolarHBondContact O-N 3.07Å; I139-R143 HydrophobicContact CG2-CG 4.24Å; I139-R143 WeakPolarHBondContact O-CG 3.45Å; I139-R143 PolarHBondContact O-N 2.85Å; I139-V149 HydrophobicContact CG1-CG1 4.42Å; I139-V149 HydrophobicContact CG2-CB 4.38Å; I139-V149 HydrophobicContact CG2-CG1 4.24Å; I139-V149 HydrophobicContact CG2-CG2 4.09Å; I139-L175 HydrophobicContact CB-CD1 4.44Å; I139-L175 HydrophobicContact CG2-CB 3.73Å; I139-L175 HydrophobicContact CG2-CD1 4.14Å; I139-L175 HydrophobicContact CG2-CG 4.38Å; I139-F176 HydrophobicContact CD1-CE1 3.83Å; I139-F176 HydrophobicContact CD1-CZ 3.97Å
140R97.9Very high97.5Very high122 Ų12254 Ų5446%0.4626%0.255SS..Hα-helixtrans-59.2-35.8175-73.9175.9177.4153.13.1112.8V136 S138 R144 L175V136-R140 VanDerWaalsContact CG1-CZ 3.47Å; V136-R140 WeakPolarHBondContact O-CG 3.17Å; V136-R140 PolarHBondContact O-N 3.49Å; S138-R140 VanDerWaalsContact C-N 3.35Å; S138-R140 PolarHBondContact O-N 3.49Å; R140-R144 WeakPolarHBondContact O-CG 3.25Å; R140-R144 PolarHBondContact O-N 2.83Å; R140-R144 PolarHBondContact O-NE 2.97Å; R140-L175 HydrophobicContact CG-CD1 4.21Å; R140-L175 HydrophobicContact CG-CD2 3.74Å
141R97.1Very high97.6Very high65 Ų6550.4 Ų50.425%0.24524%0.238CC..Hα-helixtrans-65.4-49.8174.1177.5179.763.5171.5-1.2110.9P137 S138 I139 R143 R144 Q145 F252 S253 L255P137-R141 PolarHBondContact O-N 3.05Å; S138-R141 WeakPolarHBondContact O-CB 3.13Å; S138-R141 PolarHBondContact O-N 2.82Å; S138-R141 VanDerWaalsContact O-N 3.08Å; I139-R141 VanDerWaalsContact C-N 3.26Å; I139-R141 PolarHBondContact O-N 2.9Å; R141-R143 PolarHBondContact O-N 2.98Å; R141-R144 PolarHBondContact O-N 3.45Å; R141-Q145 PolarHBondContact O-N 3.25Å; R141-F252 PolarHBondContact NH2-O 3.08Å; R141-S253 PolarHBondContact NH2-O 2.93Å; R141-L255 PolarHBondContact NH2-O 3.38Å
142W97.3Very high97.6Very high0 Ų050 Ų500%024%0.236CC..Hα-helixtrans-61.4-43.4-179.7-58.5-35.5000112.4L13 L15 S138 I139 R144 Q145 G146 L147 L210 F252 L255L13-W142 HydrophobicContact CD1-CB 3.94Å; L13-W142 HydrophobicContact CD1-CD2 3.26Å; L13-W142 HydrophobicContact CD1-CE3 3.15Å; L13-W142 HydrophobicContact CD1-CG 3.63Å; L13-W142 HydrophobicContact CD1-CH2 4.25Å; L13-W142 HydrophobicContact CD1-CZ2 4.38Å; L13-W142 HydrophobicContact CD1-CZ3 3.69Å; L15-W142 HydrophobicContact CD2-CZ3 4.38Å; S138-W142 PolarHBondContact O-N 3.37Å; I139-W142 HydrophobicContact CB-CE3 4.31Å; I139-W142 HydrophobicContact CG1-CE3 3.89Å; I139-W142 HydrophobicContact CG1-CZ3 3.81Å; I139-W142 PolarHBondContact O-N 3.07Å; W142-R144 VanDerWaalsContact C-N 3.35Å; W142-R144 PolarHBondContact O-N 3.2Å; W142-Q145 CarbonylContact O-C 3.58Å; W142-Q145 WeakPolarHBondContact O-CA 3.32Å; W142-Q145 WeakPolarHBondContact O-CB 3.05Å; W142-Q145 PolarHBondContact O-N 3.18Å; W142-G146 PolarHBondContact O-N 3.36Å; W142-L147 HydrophobicContact CB-CB 4.21Å; W142-L147 HydrophobicContact CB-CD1 3.96Å; W142-L147 HydrophobicContact CG-CD1 4.32Å; W142-L147 WeakPolarHBondContact O-CB 3.14Å; W142-L147 PolarHBondContact O-N 3.07Å; W142-L147 VanDerWaalsContact O-N 3.14Å; W142-L210 HydrophobicContact CH2-CD1 4.02Å; W142-F252 HydrophobicContact CH2-CB 3.66Å; W142-F252 HydrophobicContact CH2-CD1 4.41Å; W142-F252 AromaticContact CH2-CD2 3.28Å; W142-F252 HydrophobicContact CH2-CD2 3.28Å; W142-F252 AromaticContact CH2-CE2 3.92Å; W142-F252 HydrophobicContact CH2-CE2 3.92Å; W142-F252 AromaticContact CH2-CG 3.56Å; W142-F252 HydrophobicContact CH2-CG 3.56Å; W142-F252 HydrophobicContact CZ2-CB 3.89Å; W142-F252 HydrophobicContact CZ2-CD2 4.32Å; W142-F252 HydrophobicContact CZ2-CG 4.27Å; W142-F252 AromaticContact CZ3-CD2 3.69Å; W142-F252 HydrophobicContact CZ3-CD2 3.69Å; W142-F252 HydrophobicContact CZ3-CE2 4.05Å; W142-F252 HydrophobicContact CZ3-CG 4.41Å; W142-L255 HydrophobicContact CH2-CD2 4.25Å; W142-L255 HydrophobicContact CZ2-CB 3.99Å; W142-L255 HydrophobicContact CZ2-CD2 3.67Å; W142-L255 HydrophobicContact CZ2-CG 4.39Å
143R97.1Very high97.5Very high73 Ų7348.8 Ų48.828%0.27523%0.232SC..Hα-helixtrans-61.4-40.1175.7-67.5-172.380.364.39.6112.9I139 R141 Q145 G146 V149 L175 D177I139-R143 HydrophobicContact CG2-CG 4.24Å; I139-R143 WeakPolarHBondContact O-CG 3.45Å; I139-R143 PolarHBondContact O-N 2.85Å; R141-R143 PolarHBondContact O-N 2.98Å; R143-Q145 PolarHBondContact O-N 3.14Å; R143-G146 PolarHBondContact O-N 3.43Å; R143-V149 HydrophobicContact CG-CG2 4.21Å; R143-L175 VanDerWaalsContact CD-O 3.31Å; R143-L175 WeakPolarHBondContact CD-O 3.44Å; R143-L175 PolarHBondContact NH1-O 3.15Å; R143-D177 IonicContact CZ-OD1 3.6Å; R143-D177 IonicContact CZ-OD2 3.62Å; R143-D177 VanDerWaalsContact NH1-CG 3.32Å; R143-D177 IonicContact NH1-OD1 3.4Å; R143-D177 PolarHBondContact NH1-OD1 3.21Å; R143-D177 IonicContact NH1-OD2 2.7Å; R143-D177 PolarHBondContact NH1-OD2 3.06Å; R143-D177 IonicContact NH2-OD1 2.86Å; R143-D177 PolarHBondContact NH2-OD1 2.95Å; R143-D177 IonicContact NH2-OD2 3.63Å
144R96.5Very high97.3Very high199 Ų19942.8 Ų42.875%0.75121%0.209SC*.Hα-helixtrans-63.2-23.8174.4-77.4-175.2-63.7139.4-3.1113R140 R141 W142 G146R140-R144 WeakPolarHBondContact O-CG 3.25Å; R140-R144 PolarHBondContact O-N 2.83Å; R140-R144 PolarHBondContact O-NE 2.97Å; R141-R144 PolarHBondContact O-N 3.45Å; W142-R144 VanDerWaalsContact C-N 3.35Å; W142-R144 PolarHBondContact O-N 3.2Å; R144-G146 VanDerWaalsContact C-N 3.3Å
145Q94.1Very high96.9Very high73 Ų7342.6 Ų42.634%0.34121%0.214SC..THydrogen-bonded Turntrans-90.76.6175.3-67.7169.6-40.800112.4R141 W142 R143 V257R141-Q145 PolarHBondContact O-N 3.25Å; W142-Q145 CarbonylContact O-C 3.58Å; W142-Q145 WeakPolarHBondContact O-CA 3.32Å; W142-Q145 WeakPolarHBondContact O-CB 3.05Å; W142-Q145 PolarHBondContact O-N 3.18Å; R143-Q145 PolarHBondContact O-N 3.14Å; Q145-V257 HydrophobicContact CB-CG1 4.4Å; Q145-V257 VanDerWaalsContact OE1-CB 3.29Å
146G95.4Very high96.6Very high63 Ų6343.7 Ų43.765%0.64922%0.222SC*.THydrogen-bonded Turntrans87.32.9174.800000115W142 R143 R144W142-G146 PolarHBondContact O-N 3.36Å; R143-G146 PolarHBondContact O-N 3.43Å; R144-G146 VanDerWaalsContact C-N 3.3Å
147L97.5Very high96.5Very high13 Ų1345.3 Ų45.37%0.06823%0.232CC..  trans-73.6135.5176.3-64.2175.4000110.7I6 T10 L13 W142 V257I6-L147 HydrophobicContact CD1-CD1 3.99Å; T10-L147 HydrophobicContact CG2-CD2 4.4Å; T10-L147 WeakPolarHBondContact O-CD2 3.49Å; L13-L147 HydrophobicContact CD1-CD1 4.11Å; L13-L147 HydrophobicContact CG-CD1 4.42Å; W142-L147 HydrophobicContact CB-CB 4.21Å; W142-L147 HydrophobicContact CB-CD1 3.96Å; W142-L147 HydrophobicContact CG-CD1 4.32Å; W142-L147 WeakPolarHBondContact O-CB 3.14Å; W142-L147 PolarHBondContact O-N 3.07Å; W142-L147 VanDerWaalsContact O-N 3.14Å; L147-V257 HydrophobicContact CD1-CG2 3.75Å
148K98.5Very high96.4Very high101 Ų10145.3 Ų45.344%0.43923%0.226SC..EExtended strand (participates in β ladder)trans-79.8151.9167-63-177.1-177.9173.70110.4T11 A12 L13 Y150 D177T11-K148 PolarHBondContact O-N 3.11Å; A12-K148 CarbonylContact C-O 3.48Å; A12-K148 VanDerWaalsContact CA-O 3.32Å; A12-K148 WeakPolarHBondContact CA-O 3.47Å; A12-K148 HydrophobicContact CB-CB 4.14Å; L13-K148 PolarHBondContact N-O 2.74Å; K148-Y150 HydrophobicContact CB-CD2 4.28Å; K148-Y150 HydrophobicContact CB-CE2 3.57Å; K148-Y150 HydrophobicContact CD-CE2 4.09Å; K148-Y150 HydrophobicContact CG-CE2 4.49Å; K148-D177 WeakPolarHBondContact CA-OD2 3.35Å; K148-D177 HydrophobicContact CB-CB 4.45Å; K148-D177 WeakPolarHBondContact CB-OD2 3.26Å
149V98.7Very high96.2Very high0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-132.5125.1-178.6-174.40000110.1L13 L15 I139 R143 F176 D177L13-V149 HydrophobicContact CB-CG2 4.44Å; L13-V149 CarbonylContact O-C 3.44Å; L13-V149 WeakPolarHBondContact O-CA 3.43Å; L15-V149 HydrophobicContact CD1-CG1 3.5Å; L15-V149 VanDerWaalsContact CD1-CG1 3.5Å; L15-V149 HydrophobicContact CG-CG1 4.04Å; I139-V149 HydrophobicContact CG1-CG1 4.42Å; I139-V149 HydrophobicContact CG2-CB 4.38Å; I139-V149 HydrophobicContact CG2-CG1 4.24Å; I139-V149 HydrophobicContact CG2-CG2 4.09Å; R143-V149 HydrophobicContact CG-CG2 4.21Å; V149-F176 HydrophobicContact CG1-CD1 3.99Å; V149-F176 HydrophobicContact CG1-CE1 4.19Å; V149-F176 CarbonylContact O-C 3.58Å; V149-F176 WeakPolarHBondContact O-CA 3.36Å; V149-D177 PolarHBondContact N-OD2 3.35Å; V149-D177 PolarHBondContact O-N 3.2Å
150Y98.9Very high96.2Very high24 Ų2446 Ų469%0.09423%0.231CC..EExtended strand (participates in β ladder)trans-125.4154.3-177.9-66.3-93.1000110.4A12 L13 L15 K148 D177 G178 F180 M200A12-Y150 HydrophobicContact CB-CD2 4.33Å; A12-Y150 HydrophobicContact CB-CE2 4.29Å; L13-Y150 PolarHBondContact O-N 3.1Å; L15-Y150 PolarHBondContact N-O 3.39Å; K148-Y150 HydrophobicContact CB-CD2 4.28Å; K148-Y150 HydrophobicContact CB-CE2 3.57Å; K148-Y150 HydrophobicContact CD-CE2 4.09Å; K148-Y150 HydrophobicContact CG-CE2 4.49Å; Y150-D177 HydrophobicContact CD1-CB 4.46Å; Y150-D177 HydrophobicContact CE1-CB 3.86Å; Y150-D177 HydrophobicContact CE2-CB 4.07Å; Y150-G178 WeakPolarHBondContact CA-O 3.46Å; Y150-G178 VanDerWaalsContact CD1-CA 3.5Å; Y150-F180 AromaticContact CD1-CE2 3.74Å; Y150-F180 HydrophobicContact CD1-CE2 3.74Å; Y150-F180 HydrophobicContact CD1-CZ 4.36Å; Y150-F180 HydrophobicContact CG-CE2 4.16Å; Y150-M200 HydrophobicContact CD1-CG 4.27Å; Y150-M200 HydrophobicContact CD2-CE 3.49Å; Y150-M200 VanDerWaalsContact CD2-CE 3.49Å; Y150-M200 HydrophobicContact CD2-CG 4.23Å; Y150-M200 HydrophobicContact CD2-SD 3.93Å; Y150-M200 HydrophobicContact CE1-CG 4.12Å; Y150-M200 HydrophobicContact CE2-CE 3.63Å; Y150-M200 HydrophobicContact CE2-CG 4.04Å; Y150-M200 HydrophobicContact CE2-SD 4.26Å; Y150-M200 HydrophobicContact CG-CE 4.24Å; Y150-M200 HydrophobicContact CG-CG 4.34Å; Y150-M200 HydrophobicContact CG-SD 4.09Å
151I98.8Very high96.2Very high0 Ų045.1 Ų45.10%023%0.23CC..EExtended strand (participates in β ladder)trans-105.5140.8173.1-62.5-57.2000110.3L15 I17 Q160 F164 F176 G178 H179 F180L15-I151 HydrophobicContact CB-CD1 3.9Å; L15-I151 HydrophobicContact CD1-CD1 4.41Å; L15-I151 CarbonylContact O-C 3.53Å; L15-I151 WeakPolarHBondContact O-CA 3.28Å; I17-I151 HydrophobicContact CD1-CG2 3.74Å; I17-I151 HydrophobicContact CG1-CG2 3.73Å; I151-Q160 HydrophobicContact CG2-CG 4.39Å; I151-F164 HydrophobicContact CD1-CE2 3.81Å; I151-F164 HydrophobicContact CD1-CZ 3.83Å; I151-F164 HydrophobicContact CG1-CD2 4.46Å; I151-F164 HydrophobicContact CG1-CE2 3.78Å; I151-F164 HydrophobicContact CG1-CZ 4.32Å; I151-F164 HydrophobicContact CG2-CE2 4.42Å; I151-F176 HydrophobicContact CD1-CD1 3.66Å; I151-F176 HydrophobicContact CD1-CE1 3.32Å; I151-F176 HydrophobicContact CD1-CZ 4.06Å; I151-F176 HydrophobicContact CG1-CD1 3.6Å; I151-F176 HydrophobicContact CG1-CE1 3.76Å; I151-F176 HydrophobicContact CG1-CG 4.18Å; I151-F176 HydrophobicContact CG1-CZ 4.44Å; I151-G178 PolarHBondContact N-O 3.14Å; I151-H179 CarbonylContact O-C 3.52Å; I151-F180 PolarHBondContact O-N 2.98Å
152Y98.7Very high96.2Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-133.4111.8165.2-177.8-149.1000111.1L14 L15 F180 I184 G185 T186 K187 S192 Y193 I196L14-Y152 HydrophobicContact CD2-CD1 4.28Å; L15-Y152 PolarHBondContact O-N 3.23Å; Y152-F180 WeakPolarHBondContact CA-O 3.42Å; Y152-F180 HydrophobicContact CD2-CB 3.69Å; Y152-F180 HydrophobicContact CE2-CB 4.43Å; Y152-F180 HydrophobicContact CG-CB 4.28Å; Y152-I184 HydrophobicContact CD2-CG2 4.33Å; Y152-I184 HydrophobicContact CE2-CG2 3.63Å; Y152-G185 PolarHBondContact OH-O 3.43Å; Y152-T186 PolarHBondContact OH-O 3.34Å; Y152-T186 VanDerWaalsContact OH-O 3.1Å; Y152-K187 HydrophobicContact CD1-CG 4.28Å; Y152-K187 HydrophobicContact CE1-CB 4.15Å; Y152-K187 HydrophobicContact CE1-CG 3.74Å; Y152-K187 HydrophobicContact CE2-CG 4.02Å; Y152-K187 WeakPolarHBondContact O-CE 3.36Å; Y152-K187 WeakPolarHBondContact OH-CA 3.36Å; Y152-K187 PolarHBondContact OH-N 3.48Å; Y152-S192 WeakPolarHBondContact OH-CB 3.46Å; Y152-Y193 AromaticContact CD1-CE1 3.95Å; Y152-Y193 HydrophobicContact CD1-CE1 3.95Å; Y152-Y193 AromaticContact CE1-CE1 3.9Å; Y152-Y193 HydrophobicContact CE1-CE1 3.9Å; Y152-Y193 AromaticContact CE1-CZ 3.92Å; Y152-I196 HydrophobicContact CD1-CD1 3.53Å; Y152-I196 HydrophobicContact CD2-CD1 3.98Å; Y152-I196 HydrophobicContact CE1-CD1 3.63Å; Y152-I196 HydrophobicContact CE2-CD1 4.09Å; Y152-I196 HydrophobicContact CG-CD1 3.71Å
153S96.3Very high96.2Very high11 Ų1143.1 Ų43.18%0.07723%0.225CC..  trans-139.3162.4-176.9-175.70000112.1G155 F180 D181S153-G155 VanDerWaalsContact C-N 3.32Å; S153-F180 PolarHBondContact N-O 2.77Å; S153-F180 VanDerWaalsContact N-O 3.16Å; S153-D181 VanDerWaalsContact O-CA 3.29Å; S153-D181 WeakPolarHBondContact O-CA 3.48Å
154S91.5Very high96.3Very high42 Ų4239.8 Ų39.829%0.29421%0.212SC..SBendtrans-76.3-20.7175.672.40000113.7K111K111-S154 PolarHBondContact NZ-O 2.71Å
155G90.6Very high96.4Very high26 Ų2630.9 Ų30.927%0.26818%0.182SC..SBendtrans-67147.9170.400000111.5S153 Q160 D181S153-G155 VanDerWaalsContact C-N 3.32Å; G155-Q160 PolarHBondContact O-NE2 3.4Å; G155-D181 VanDerWaalsContact O-CB 3.26Å; G155-D181 WeakPolarHBondContact O-CB 3.27Å
156S92.4Very high96.6Very high24 Ų2432.3 Ų32.317%0.16819%0.185CC..  trans-59.4150.7179.263.50000111.2E158 A159 Q160 D181S156-E158 PolarHBondContact O-N 3.46Å; S156-E158 VanDerWaalsContact O-N 3.11Å; S156-A159 PolarHBondContact O-N 2.94Å; S156-A159 WeakPolarHBondContact OG-CB 3.23Å; S156-A159 PolarHBondContact OG-N 3.2Å; S156-Q160 WeakPolarHBondContact O-CG 3.38Å; S156-Q160 PolarHBondContact O-N 3.03Å; S156-D181 WeakPolarHBondContact CA-OD2 3.11Å
157V95.6Very high96.7Very high38 Ų3829.5 Ų29.523%0.2316%0.156CC..Hα-helixtrans-52.6-35.3175.5168.70000112.2Q160 K161 H179 D181V157-Q160 PolarHBondContact O-N 3Å; V157-K161 HydrophobicContact CG1-CD 4.26Å; V157-K161 WeakPolarHBondContact O-CG 3.26Å; V157-K161 PolarHBondContact O-N 3.05Å; V157-H179 HydrophobicContact CB-CB 4.34Å; V157-H179 HydrophobicContact CG1-CB 3.75Å; V157-H179 HydrophobicContact CG2-CB 3.93Å; V157-D181 HydrophobicContact CG2-CB 4.06Å; V157-D181 PolarHBondContact N-OD2 3.31Å
158E94.7Very high96.6Very high71 Ų7132.5 Ų32.533%0.33217%0.174SC..Hα-helixtrans-61.7-49.9174-176.6175.9-173.100112.1R119 S156 Q160 K161 L162R119-E158 IonicContact NH1-OE1 3.54Å; S156-E158 PolarHBondContact O-N 3.46Å; S156-E158 VanDerWaalsContact O-N 3.11Å; E158-Q160 VanDerWaalsContact C-N 3.29Å; E158-Q160 PolarHBondContact O-N 2.98Å; E158-K161 PolarHBondContact O-N 3.14Å; E158-K161 VanDerWaalsContact O-N 3.1Å; E158-L162 HydrophobicContact CG-CD1 4.35Å; E158-L162 WeakPolarHBondContact O-CG 3.23Å; E158-L162 PolarHBondContact O-N 3.39Å
159A94.4Very high96.5Very high16 Ų1632.1 Ų32.113%0.13217%0.174CC..Hα-helixtrans-61.8-37.4178.100000112.2W118 S156 L162 L163W118-A159 HydrophobicContact CE3-CB 4.12Å; W118-A159 HydrophobicContact CZ3-CB 4.17Å; S156-A159 PolarHBondContact O-N 2.94Å; S156-A159 WeakPolarHBondContact OG-CB 3.23Å; S156-A159 PolarHBondContact OG-N 3.2Å; A159-L162 PolarHBondContact O-N 2.98Å; A159-L163 PolarHBondContact O-N 3.3Å
160Q97.6Very high96.3Very high4 Ų433.8 Ų33.82%0.01919%0.191CC..Hα-helixtrans-61.5-45.1173.7-5917522.900111.1I17 I151 G155 S156 V157 E158 L162 L163 F164 H179 F180I17-Q160 HydrophobicContact CD1-CB 4.11Å; I17-Q160 HydrophobicContact CD1-CG 3.67Å; I151-Q160 HydrophobicContact CG2-CG 4.39Å; G155-Q160 PolarHBondContact O-NE2 3.4Å; S156-Q160 WeakPolarHBondContact O-CG 3.38Å; S156-Q160 PolarHBondContact O-N 3.03Å; V157-Q160 PolarHBondContact O-N 3Å; E158-Q160 VanDerWaalsContact C-N 3.29Å; E158-Q160 PolarHBondContact O-N 2.98Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 3.4Å; Q160-L163 WeakPolarHBondContact O-CB 3.41Å; Q160-L163 PolarHBondContact O-N 3.14Å; Q160-F164 WeakPolarHBondContact O-CD2 3.44Å; Q160-F164 PolarHBondContact O-N 3.44Å; Q160-F164 VanDerWaalsContact O-N 3.16Å; Q160-H179 PolarHBondContact OE1-ND1 3.43Å; Q160-F180 PolarHBondContact NE2-O 3.21Å
161K98.1Very high96.3Very high105 Ų10537.8 Ų37.846%0.45721%0.214SC..Hα-helixtrans-65.2-37.2178.3-74177.3176.3-177.20112.4V157 E158 G165 L173V157-K161 HydrophobicContact CG1-CD 4.26Å; V157-K161 WeakPolarHBondContact O-CG 3.26Å; V157-K161 PolarHBondContact O-N 3.05Å; E158-K161 PolarHBondContact O-N 3.14Å; E158-K161 VanDerWaalsContact O-N 3.1Å; K161-G165 WeakPolarHBondContact O-CA 3.41Å; K161-G165 PolarHBondContact O-N 3.32Å; K161-L173 HydrophobicContact CB-CD2 4.14Å; K161-L173 HydrophobicContact CG-CD2 4.14Å
162L97.9Very high96.3Very high15 Ų1537.9 Ų37.98%0.07922%0.215CC..Hα-helixtrans-63.1-45.4174.4-69.2171.2000111.7W118 R119 Y122 E158 A159 Q160 F164 G165 Y166W118-L162 HydrophobicContact CB-CD1 4.21Å; R119-L162 HydrophobicContact CB-CD1 3.84Å; R119-L162 HydrophobicContact CB-CD2 4.05Å; R119-L162 HydrophobicContact CG-CD2 3.99Å; Y122-L162 HydrophobicContact CD2-CB 3.64Å; Y122-L162 HydrophobicContact CD2-CD1 4.38Å; Y122-L162 HydrophobicContact CD2-CG 4.42Å; Y122-L162 HydrophobicContact CE2-CB 3.82Å; Y122-L162 HydrophobicContact CG-CB 4.42Å; E158-L162 HydrophobicContact CG-CD1 4.35Å; E158-L162 WeakPolarHBondContact O-CG 3.23Å; E158-L162 PolarHBondContact O-N 3.39Å; A159-L162 PolarHBondContact O-N 2.98Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 3.4Å; L162-F164 PolarHBondContact O-N 2.79Å; L162-G165 PolarHBondContact O-N 3.38Å; L162-Y166 HydrophobicContact CD2-CD2 4.31Å; L162-Y166 HydrophobicContact CD2-CE2 4Å; L162-Y166 WeakPolarHBondContact O-CD2 3.4Å; L162-Y166 PolarHBondContact O-N 3.48Å; L162-Y166 VanDerWaalsContact O-N 3.07Å
163L97.9Very high96.3Very high8 Ų840.4 Ų40.44%0.04223%0.228CC..Hα-helixtrans-55.6-51.7177.8-179.576000111.8I17 F26 A159 Q160 S167I17-L163 HydrophobicContact CD1-CD2 4.09Å; I17-L163 HydrophobicContact CG2-CD2 3.46Å; I17-L163 VanDerWaalsContact CG2-CD2 3.46Å; F26-L163 HydrophobicContact CD1-CD1 4.11Å; F26-L163 HydrophobicContact CE1-CD1 3.44Å; F26-L163 VanDerWaalsContact CE1-CD1 3.44Å; F26-L163 HydrophobicContact CZ-CD1 4.27Å; A159-L163 PolarHBondContact O-N 3.3Å; Q160-L163 WeakPolarHBondContact O-CB 3.41Å; Q160-L163 PolarHBondContact O-N 3.14Å; L163-S167 PolarHBondContact O-N 2.63Å
164F98.4Very high96.3Very high2 Ų245.6 Ų45.61%0.00926%0.255CS..Hα-helixtrans-79.9-30.2-176.6-68.6-65.1000113.4I17 V131 I151 Q160 L162 V172 L173 F176I17-F164 HydrophobicContact CD1-CE2 3.88Å; I17-F164 HydrophobicContact CD1-CZ 4.39Å; I17-F164 HydrophobicContact CG1-CE2 4.12Å; I17-F164 HydrophobicContact CG1-CZ 4.18Å; V131-F164 HydrophobicContact CG1-CD1 4.21Å; V131-F164 HydrophobicContact CG1-CE1 3.99Å; I151-F164 HydrophobicContact CD1-CE2 3.81Å; I151-F164 HydrophobicContact CD1-CZ 3.83Å; I151-F164 HydrophobicContact CG1-CD2 4.46Å; I151-F164 HydrophobicContact CG1-CE2 3.78Å; I151-F164 HydrophobicContact CG1-CZ 4.32Å; I151-F164 HydrophobicContact CG2-CE2 4.42Å; Q160-F164 WeakPolarHBondContact O-CD2 3.44Å; Q160-F164 PolarHBondContact O-N 3.44Å; Q160-F164 VanDerWaalsContact O-N 3.16Å; L162-F164 PolarHBondContact O-N 2.79Å; F164-V172 HydrophobicContact CB-CG2 4.09Å; F164-V172 HydrophobicContact CD1-CG2 4.12Å; F164-V172 VanDerWaalsContact O-CG2 3.3Å; F164-V172 WeakPolarHBondContact O-CG2 3.41Å; F164-V172 PolarHBondContact O-N 2.97Å; F164-V172 VanDerWaalsContact O-N 3.13Å; F164-L173 HydrophobicContact CB-CD2 3.79Å; F164-L173 HydrophobicContact CB-CG 4.48Å; F164-F176 HydrophobicContact CB-CD2 4.46Å; F164-F176 HydrophobicContact CB-CE2 3.88Å; F164-F176 AromaticContact CD1-CE2 3.54Å; F164-F176 HydrophobicContact CD1-CE2 3.54Å; F164-F176 AromaticContact CD1-CZ 3.61Å; F164-F176 HydrophobicContact CD1-CZ 3.61Å; F164-F176 AromaticContact CD2-CE2 3.96Å; F164-F176 HydrophobicContact CD2-CE2 3.96Å; F164-F176 HydrophobicContact CD2-CZ 4.22Å; F164-F176 HydrophobicContact CE1-CE2 4.03Å; F164-F176 AromaticContact CE1-CZ 3.59Å; F164-F176 HydrophobicContact CE1-CZ 3.59Å; F164-F176 HydrophobicContact CE2-CE2 4.41Å; F164-F176 HydrophobicContact CE2-CZ 4.21Å; F164-F176 HydrophobicContact CG-CD2 4.32Å; F164-F176 AromaticContact CG-CE2 3.51Å; F164-F176 HydrophobicContact CG-CE2 3.51Å; F164-F176 AromaticContact CG-CZ 3.94Å; F164-F176 HydrophobicContact CG-CZ 3.94Å; F164-F176 HydrophobicContact CZ-CE2 4.44Å; F164-F176 AromaticContact CZ-CZ 3.91Å; F164-F176 HydrophobicContact CZ-CZ 3.91Å
165G98.2Very high96.7Very high12 Ų1244 Ų4412%0.12424%0.243CC..Hα-helixtrans-73.9-25.2178.300000113.9K161 L162 D171K161-G165 WeakPolarHBondContact O-CA 3.41Å; K161-G165 PolarHBondContact O-N 3.32Å; L162-G165 PolarHBondContact O-N 3.38Å; G165-D171 WeakPolarHBondContact O-CA 3.48Å; G165-D171 WeakPolarHBondContact O-CB 3.37Å
166Y98Very high97Very high104 Ų10443.6 Ų43.641%0.40823%0.234SC..THydrogen-bonded Turntrans-117.733.7177.9-64.9-91.8000111.7Y122 K128 G129 L162Y122-Y166 VanDerWaalsContact CD1-CB 3.48Å; Y122-Y166 HydrophobicContact CD1-CG 4.18Å; Y122-Y166 HydrophobicContact CG-CD2 4.25Å; Y122-Y166 HydrophobicContact CG-CG 4.23Å; Y122-Y166 WeakPolarHBondContact O-CD1 3.29Å; K128-Y166 CarbonylContact C-O 3.52Å; K128-Y166 WeakPolarHBondContact CA-O 3.49Å; G129-Y166 PolarHBondContact N-O 3.25Å; L162-Y166 HydrophobicContact CD2-CD2 4.31Å; L162-Y166 HydrophobicContact CD2-CE2 4Å; L162-Y166 WeakPolarHBondContact O-CD2 3.4Å; L162-Y166 PolarHBondContact O-N 3.48Å; L162-Y166 VanDerWaalsContact O-N 3.07Å
167S97.5Very high97.3Very high4 Ų445.6 Ų45.63%0.02824%0.243CC..BIsolated β-bridgetrans-69.7164.1-175.987.30000112.5G129 L163 E169 G170G129-S167 CarbonylContact O-C 3.57Å; G129-S167 WeakPolarHBondContact O-CA 3.39Å; G129-S167 WeakPolarHBondContact O-CB 3.42Å; L163-S167 PolarHBondContact O-N 2.63Å; S167-E169 PolarHBondContact O-N 3.5Å; S167-E169 PolarHBondContact OG-N 3.46Å; S167-E169 VanDerWaalsContact OG-N 3.14Å; S167-G170 WeakPolarHBondContact CB-O 3.47Å; S167-G170 PolarHBondContact N-O 3.17Å; S167-G170 PolarHBondContact O-N 3.49Å; S167-G170 PolarHBondContact OG-N 2.97Å; S167-G170 PolarHBondContact OG-O 3.43Å
168V96.6Very high97.5Very high76 Ų7644.7 Ų44.746%0.46124%0.241SC..THydrogen-bonded Turntrans-60.6-20.4171.4-66.30000113K128 G129 V131 G170K128-V168 HydrophobicContact CB-CG1 3.98Å; G129-V168 PolarHBondContact O-N 2.96Å; V131-V168 HydrophobicContact CG2-CG2 4.07Å; V168-G170 VanDerWaalsContact C-N 3.35Å
169E95.3Very high97.7Very high92 Ų9242.8 Ų42.843%0.4323%0.232SC..THydrogen-bonded Turntrans-91.76.1175.3-63.3-66.9141.900112.9V131 V136 S167 V172V131-E169 HydrophobicContact CG2-CG 3.84Å; V136-E169 HydrophobicContact CG2-CB 4.22Å; V136-E169 HydrophobicContact CG2-CG 4.07Å; S167-E169 PolarHBondContact O-N 3.5Å; S167-E169 PolarHBondContact OG-N 3.46Å; S167-E169 VanDerWaalsContact OG-N 3.14Å; E169-V172 HydrophobicContact CB-CG1 4.22Å
170G96.1Very high97.8Very high35 Ų3543.2 Ų43.236%0.36123%0.231SC..BIsolated β-bridgetrans88.8-164.7-170.800000112.8S167 V168 V172S167-G170 WeakPolarHBondContact CB-O 3.47Å; S167-G170 PolarHBondContact N-O 3.17Å; S167-G170 PolarHBondContact O-N 3.49Å; S167-G170 PolarHBondContact OG-N 2.97Å; S167-G170 PolarHBondContact OG-O 3.43Å; V168-G170 VanDerWaalsContact C-N 3.35Å; G170-V172 PolarHBondContact O-N 3.25Å
171D98Very high97.7Very high109 Ų10943.8 Ų43.858%0.58323%0.234SC*.  trans-73118.3173.3-173.4-10.1000109.5G165 L173G165-D171 WeakPolarHBondContact O-CA 3.48Å; G165-D171 WeakPolarHBondContact O-CB 3.37Å; D171-L173 WeakPolarHBondContact OD1-CB 3.24Å; D171-L173 WeakPolarHBondContact OD1-CG 3.31Å; D171-L173 PolarHBondContact OD1-N 3.02Å
172V98.2Very high97.4Very high1 Ų141.3 Ų41.31%0.00623%0.227CC..  trans-120.720.2178.5-620000112.6V136 F164 E169 G170 D174 L175 F176V136-V172 HydrophobicContact CG1-CG1 4.4Å; V136-V172 HydrophobicContact CG2-CG1 4.08Å; V136-V172 HydrophobicContact CG2-CG2 4.48Å; F164-V172 HydrophobicContact CB-CG2 4.09Å; F164-V172 HydrophobicContact CD1-CG2 4.12Å; F164-V172 VanDerWaalsContact O-CG2 3.3Å; F164-V172 WeakPolarHBondContact O-CG2 3.41Å; F164-V172 PolarHBondContact O-N 2.97Å; F164-V172 VanDerWaalsContact O-N 3.13Å; E169-V172 HydrophobicContact CB-CG1 4.22Å; G170-V172 PolarHBondContact O-N 3.25Å; V172-D174 PolarHBondContact O-N 3.45Å; V172-L175 HydrophobicContact CB-CD1 3.91Å; V172-L175 HydrophobicContact CB-CG 4.24Å; V172-L175 HydrophobicContact CG1-CD1 4.34Å; V172-L175 VanDerWaalsContact O-CB 3.31Å; V172-L175 WeakPolarHBondContact O-CB 3.21Å; V172-L175 PolarHBondContact O-N 2.98Å; V172-L175 VanDerWaalsContact O-N 3.14Å; V172-F176 HydrophobicContact CG2-CE2 4.33Å; V172-F176 WeakPolarHBondContact O-CD2 3.29Å; V172-F176 WeakPolarHBondContact O-CE2 3.3Å
173L98.2Very high97.2Very high53 Ų5347.1 Ų47.128%0.27726%0.259SS..G310 helixtrans-63.4-27.4-179.5-71.7172.6000113.4K161 F164 D171 L175 F176K161-L173 HydrophobicContact CB-CD2 4.14Å; K161-L173 HydrophobicContact CG-CD2 4.14Å; F164-L173 HydrophobicContact CB-CD2 3.79Å; F164-L173 HydrophobicContact CB-CG 4.48Å; D171-L173 WeakPolarHBondContact OD1-CB 3.24Å; D171-L173 WeakPolarHBondContact OD1-CG 3.31Å; D171-L173 PolarHBondContact OD1-N 3.02Å; L173-L175 PolarHBondContact O-N 2.96Å; L173-L175 VanDerWaalsContact O-N 3.16Å; L173-F176 PolarHBondContact O-N 3.02Å; L173-F176 VanDerWaalsContact O-N 3.15Å
174D97.9Very high97Very high120 Ų12048 Ų4864%0.64226%0.263SS*.G310 helixtrans-63.9-15.4176.172.4-33.9000113.6V172 F176V172-D174 PolarHBondContact O-N 3.45Å; D174-F176 VanDerWaalsContact C-N 3.32Å
175L98.3Very high96.9Very high9 Ų948.5 Ų48.55%0.04727%0.269CS..G310 helixtrans-79.5-13176.7-59.5-172.5000113.7V136 I139 R140 R143 V172 L173V136-L175 HydrophobicContact CG1-CD1 3.97Å; V136-L175 HydrophobicContact CG2-CD1 4.45Å; I139-L175 HydrophobicContact CB-CD1 4.44Å; I139-L175 HydrophobicContact CG2-CB 3.73Å; I139-L175 HydrophobicContact CG2-CD1 4.14Å; I139-L175 HydrophobicContact CG2-CG 4.38Å; R140-L175 HydrophobicContact CG-CD1 4.21Å; R140-L175 HydrophobicContact CG-CD2 3.74Å; R143-L175 VanDerWaalsContact CD-O 3.31Å; R143-L175 WeakPolarHBondContact CD-O 3.44Å; R143-L175 PolarHBondContact NH1-O 3.15Å; V172-L175 HydrophobicContact CB-CD1 3.91Å; V172-L175 HydrophobicContact CB-CG 4.24Å; V172-L175 HydrophobicContact CG1-CD1 4.34Å; V172-L175 VanDerWaalsContact O-CB 3.31Å; V172-L175 WeakPolarHBondContact O-CB 3.21Å; V172-L175 PolarHBondContact O-N 2.98Å; V172-L175 VanDerWaalsContact O-N 3.14Å; L173-L175 PolarHBondContact O-N 2.96Å; L173-L175 VanDerWaalsContact O-N 3.16Å
176F98.6Very high96.7Very high18 Ų1850.6 Ų50.68%0.07928%0.28CS..  trans-112.9129.9-175.6-55.1-76.1000111.4L15 I139 V149 I151 F164 V172 L173 D174 G178L15-F176 HydrophobicContact CD1-CE1 4.4Å; I139-F176 HydrophobicContact CD1-CE1 3.83Å; I139-F176 HydrophobicContact CD1-CZ 3.97Å; V149-F176 HydrophobicContact CG1-CD1 3.99Å; V149-F176 HydrophobicContact CG1-CE1 4.19Å; V149-F176 CarbonylContact O-C 3.58Å; V149-F176 WeakPolarHBondContact O-CA 3.36Å; I151-F176 HydrophobicContact CD1-CD1 3.66Å; I151-F176 HydrophobicContact CD1-CE1 3.32Å; I151-F176 HydrophobicContact CD1-CZ 4.06Å; I151-F176 HydrophobicContact CG1-CD1 3.6Å; I151-F176 HydrophobicContact CG1-CE1 3.76Å; I151-F176 HydrophobicContact CG1-CG 4.18Å; I151-F176 HydrophobicContact CG1-CZ 4.44Å; F164-F176 HydrophobicContact CB-CD2 4.46Å; F164-F176 HydrophobicContact CB-CE2 3.88Å; F164-F176 AromaticContact CD1-CE2 3.54Å; F164-F176 HydrophobicContact CD1-CE2 3.54Å; F164-F176 AromaticContact CD1-CZ 3.61Å; F164-F176 HydrophobicContact CD1-CZ 3.61Å; F164-F176 AromaticContact CD2-CE2 3.96Å; F164-F176 HydrophobicContact CD2-CE2 3.96Å; F164-F176 HydrophobicContact CD2-CZ 4.22Å; F164-F176 HydrophobicContact CE1-CE2 4.03Å; F164-F176 AromaticContact CE1-CZ 3.59Å; F164-F176 HydrophobicContact CE1-CZ 3.59Å; F164-F176 HydrophobicContact CE2-CE2 4.41Å; F164-F176 HydrophobicContact CE2-CZ 4.21Å; F164-F176 HydrophobicContact CG-CD2 4.32Å; F164-F176 AromaticContact CG-CE2 3.51Å; F164-F176 HydrophobicContact CG-CE2 3.51Å; F164-F176 AromaticContact CG-CZ 3.94Å; F164-F176 HydrophobicContact CG-CZ 3.94Å; F164-F176 HydrophobicContact CZ-CE2 4.44Å; F164-F176 AromaticContact CZ-CZ 3.91Å; F164-F176 HydrophobicContact CZ-CZ 3.91Å; V172-F176 HydrophobicContact CG2-CE2 4.33Å; V172-F176 WeakPolarHBondContact O-CD2 3.29Å; V172-F176 WeakPolarHBondContact O-CE2 3.3Å; L173-F176 PolarHBondContact O-N 3.02Å; L173-F176 VanDerWaalsContact O-N 3.15Å; D174-F176 VanDerWaalsContact C-N 3.32Å; F176-G178 VanDerWaalsContact C-N 3.33Å
177D98.6Very high96.7Very high66 Ų6646.5 Ų46.535%0.35326%0.264SS..SBendtrans-84.5-10.9176.2-56.1-73.3000112.3R143 K148 V149 Y150R143-D177 IonicContact CZ-OD1 3.6Å; R143-D177 IonicContact CZ-OD2 3.62Å; R143-D177 VanDerWaalsContact NH1-CG 3.32Å; R143-D177 IonicContact NH1-OD1 3.4Å; R143-D177 PolarHBondContact NH1-OD1 3.21Å; R143-D177 IonicContact NH1-OD2 2.7Å; R143-D177 PolarHBondContact NH1-OD2 3.06Å; R143-D177 IonicContact NH2-OD1 2.86Å; R143-D177 PolarHBondContact NH2-OD1 2.95Å; R143-D177 IonicContact NH2-OD2 3.63Å; K148-D177 WeakPolarHBondContact CA-OD2 3.35Å; K148-D177 HydrophobicContact CB-CB 4.45Å; K148-D177 WeakPolarHBondContact CB-OD2 3.26Å; V149-D177 PolarHBondContact N-OD2 3.35Å; V149-D177 PolarHBondContact O-N 3.2Å; Y150-D177 HydrophobicContact CD1-CB 4.46Å; Y150-D177 HydrophobicContact CE1-CB 3.86Å; Y150-D177 HydrophobicContact CE2-CB 4.07Å
178G98.3Very high96.7Very high18 Ų1850.2 Ų50.219%0.18629%0.286CS..EExtended strand (participates in β ladder)trans175.6170.7175.100000114.6Y150 I151 F176Y150-G178 WeakPolarHBondContact CA-O 3.46Å; Y150-G178 VanDerWaalsContact CD1-CA 3.5Å; I151-G178 PolarHBondContact N-O 3.14Å; F176-G178 VanDerWaalsContact C-N 3.33Å
179H98.7Very high96.7Very high31 Ų3150.9 Ų50.914%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-134.3139.1-176.4-68.8-96.8000109.9I151 V157 Q160I151-H179 CarbonylContact O-C 3.52Å; V157-H179 HydrophobicContact CB-CB 4.34Å; V157-H179 HydrophobicContact CG1-CB 3.75Å; V157-H179 HydrophobicContact CG2-CB 3.93Å; Q160-H179 PolarHBondContact OE1-ND1 3.43Å
180F98.4Very high96.9Very high26 Ų2648.7 Ų48.711%0.11428%0.279CS..EExtended strand (participates in β ladder)trans-124.9140.1175.2-61.2-75000109.5L14 Y150 I151 Y152 S153 Q160 I184 I196 R199 M200L14-F180 HydrophobicContact CD1-CD2 4.11Å; L14-F180 HydrophobicContact CD1-CE2 4.49Å; Y150-F180 AromaticContact CD1-CE2 3.74Å; Y150-F180 HydrophobicContact CD1-CE2 3.74Å; Y150-F180 HydrophobicContact CD1-CZ 4.36Å; Y150-F180 HydrophobicContact CG-CE2 4.16Å; I151-F180 PolarHBondContact O-N 2.98Å; Y152-F180 WeakPolarHBondContact CA-O 3.42Å; Y152-F180 HydrophobicContact CD2-CB 3.69Å; Y152-F180 HydrophobicContact CE2-CB 4.43Å; Y152-F180 HydrophobicContact CG-CB 4.28Å; S153-F180 PolarHBondContact N-O 2.77Å; S153-F180 VanDerWaalsContact N-O 3.16Å; Q160-F180 PolarHBondContact NE2-O 3.21Å; F180-I184 HydrophobicContact CB-CG2 4.15Å; F180-I184 HydrophobicContact CD1-CG1 4.43Å; F180-I196 HydrophobicContact CB-CD1 4.31Å; F180-I196 HydrophobicContact CB-CG1 4.38Å; F180-I196 HydrophobicContact CD1-CG1 4.09Å; F180-I196 HydrophobicContact CD2-CG1 4.24Å; F180-I196 HydrophobicContact CD2-CG2 4Å; F180-I196 HydrophobicContact CE1-CG1 4.45Å; F180-I196 HydrophobicContact CE2-CG2 3.75Å; F180-I196 HydrophobicContact CG-CD1 4.34Å; F180-I196 HydrophobicContact CG-CG1 3.97Å; F180-I196 HydrophobicContact CZ-CG2 4.11Å; F180-R199 HydrophobicContact CE1-CB 3.78Å; F180-R199 HydrophobicContact CE1-CG 4.28Å; F180-R199 HydrophobicContact CZ-CB 4.03Å; F180-M200 HydrophobicContact CE2-CG 3.98Å; F180-M200 HydrophobicContact CE2-SD 4.04Å; F180-M200 HydrophobicContact CZ-CG 3.88Å; F180-M200 HydrophobicContact CZ-SD 4.48Å
181D95.6Very high97Very high15 Ų1553.8 Ų53.88%0.0829%0.291CS..  trans-128.9-171.3173.169.415.6000111.4S153 G155 S156 V157 N183 I184S153-D181 VanDerWaalsContact O-CA 3.29Å; S153-D181 WeakPolarHBondContact O-CA 3.48Å; G155-D181 VanDerWaalsContact O-CB 3.26Å; G155-D181 WeakPolarHBondContact O-CB 3.27Å; S156-D181 WeakPolarHBondContact CA-OD2 3.11Å; V157-D181 HydrophobicContact CG2-CB 4.06Å; V157-D181 PolarHBondContact N-OD2 3.31Å; D181-N183 PolarHBondContact O-N 2.73Å; D181-N183 WeakPolarHBondContact OD1-CB 3.3Å; D181-N183 VanDerWaalsContact OD1-CG 3.26Å; D181-N183 PolarHBondContact OD1-N 3.06Å; D181-N183 PolarHBondContact OD1-ND2 2.93Å; D181-N183 PolarHBondContact OD2-ND2 3.42Å; D181-I184 WeakPolarHBondContact O-CG2 3.22Å; D181-I184 PolarHBondContact O-N 3.22Å
182T91.1Very high97Very high53 Ų5348.6 Ų48.633%0.32526%0.264SS..G310 helixtrans-60.3-10.9-178.650.90000115K111 I184 G185K111-T182 PolarHBondContact NZ-OG1 3.33Å; T182-I184 PolarHBondContact O-N 3.37Å; T182-G185 WeakPolarHBondContact CA-O 3.41Å; T182-G185 PolarHBondContact O-N 3.06Å
183N92.8Very high97.1Very high137 Ų13748.7 Ų48.773%0.73326%0.264SS*.G310 helixtrans-66.5-24.5173-64-50.9000112.3D181 G185D181-N183 PolarHBondContact O-N 2.73Å; D181-N183 WeakPolarHBondContact OD1-CB 3.3Å; D181-N183 VanDerWaalsContact OD1-CG 3.26Å; D181-N183 PolarHBondContact OD1-N 3.06Å; D181-N183 PolarHBondContact OD1-ND2 2.93Å; D181-N183 PolarHBondContact OD2-ND2 3.42Å; N183-G185 VanDerWaalsContact C-N 3.28Å
184I94.9Very high97.1Very high26 Ų2648.8 Ų48.813%0.13327%0.267CS..G310 helixtrans-80.2-11.8172.3-156.863.2000112.1Y152 F180 D181 T182 R195 I196 R199Y152-I184 HydrophobicContact CD2-CG2 4.33Å; Y152-I184 HydrophobicContact CE2-CG2 3.63Å; F180-I184 HydrophobicContact CB-CG2 4.15Å; F180-I184 HydrophobicContact CD1-CG1 4.43Å; D181-I184 WeakPolarHBondContact O-CG2 3.22Å; D181-I184 PolarHBondContact O-N 3.22Å; T182-I184 PolarHBondContact O-N 3.37Å; I184-R195 HydrophobicContact CD1-CB 3.87Å; I184-R195 HydrophobicContact CG1-CB 3.93Å; I184-R195 PolarHBondContact O-NE 2.92Å; I184-R195 PolarHBondContact O-NH2 2.92Å; I184-I196 HydrophobicContact CG1-CG1 3.96Å; I184-I196 HydrophobicContact CG2-CD1 4.08Å; I184-I196 HydrophobicContact CG2-CG1 3.97Å; I184-R199 HydrophobicContact CD1-CG 4.1Å
185G95.1Very high97.1Very high13 Ų1347 Ų4713%0.13425%0.251CS..  trans129.2177-175.700000113Y152 T182 N183 S192Y152-G185 PolarHBondContact OH-O 3.43Å; T182-G185 WeakPolarHBondContact CA-O 3.41Å; T182-G185 PolarHBondContact O-N 3.06Å; N183-G185 VanDerWaalsContact C-N 3.28Å; G185-S192 VanDerWaalsContact C-OG 3.27Å; G185-S192 WeakPolarHBondContact CA-OG 3.23Å
186T94.7Very high97.1Very high57 Ų5746.6 Ų46.635%0.3525%0.249SC..  trans-81.2151.3179.274.30000111.3Y152 V188 E189 S192Y152-T186 PolarHBondContact OH-O 3.34Å; Y152-T186 VanDerWaalsContact OH-O 3.1Å; T186-V188 PolarHBondContact O-N 3.04Å; T186-E189 PolarHBondContact O-N 3.34Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-OE1 2.85Å; T186-S192 PolarHBondContact N-OG 3.16Å; T186-S192 VanDerWaalsContact O-CB 3.27Å; T186-S192 WeakPolarHBondContact O-CB 3.44Å; T186-S192 PolarHBondContact O-OG 3.27Å
187K97.4Very high97.1Very high17 Ų1745.8 Ų45.87%0.07425%0.246CC..THydrogen-bonded Turntrans-70.8-13.4-176.5-59.7-175.771.1-151.30114.2D16 Y152 Y193 E216D16-K187 IonicContact OD1-NZ 2.77Å; D16-K187 PolarHBondContact OD1-NZ 3.36Å; D16-K187 IonicContact OD2-NZ 2.81Å; D16-K187 PolarHBondContact OD2-NZ 2.99Å; Y152-K187 HydrophobicContact CD1-CG 4.28Å; Y152-K187 HydrophobicContact CE1-CB 4.15Å; Y152-K187 HydrophobicContact CE1-CG 3.74Å; Y152-K187 HydrophobicContact CE2-CG 4.02Å; Y152-K187 WeakPolarHBondContact O-CE 3.36Å; Y152-K187 WeakPolarHBondContact OH-CA 3.36Å; Y152-K187 PolarHBondContact OH-N 3.48Å; K187-Y193 VanDerWaalsContact O-CE2 3.3Å; K187-Y193 WeakPolarHBondContact O-CE2 3.47Å; K187-Y193 PolarHBondContact O-OH 3.39Å; K187-E216 HydrophobicContact CB-CG 3.85Å; K187-E216 WeakPolarHBondContact CB-OE1 3.16Å; K187-E216 VanDerWaalsContact CD-OE1 3.29Å; K187-E216 WeakPolarHBondContact CD-OE1 3.5Å; K187-E216 WeakPolarHBondContact CE-OE1 3.14Å; K187-E216 WeakPolarHBondContact CE-OE2 3.33Å; K187-E216 IonicContact NZ-OE1 3.28Å; K187-E216 PolarHBondContact NZ-OE1 3.2Å; K187-E216 IonicContact NZ-OE2 3.49Å; K187-E216 PolarHBondContact NZ-OE2 3.38Å
188V97.6Very high97.1Very high82 Ų8249.2 Ų49.250%0.49726%0.26SS..THydrogen-bonded Turntrans-101.99.7179.8-62.30000112.8T186 R215 E216 A219T186-V188 PolarHBondContact O-N 3.04Å; V188-R215 HydrophobicContact CG1-CB 4.05Å; V188-E216 HydrophobicContact CG1-CG 4.29Å; V188-A219 VanDerWaalsContact C-CB 3.49Å
189E98Very high97.1Very high90 Ų9057.6 Ų57.642%0.42129%0.285SS..  trans-111.4123.7176.3-78.3170.2-148.100111T186 K191 S192 Y193T186-E189 PolarHBondContact O-N 3.34Å; T186-E189 WeakPolarHBondContact OG1-CG 3.44Å; T186-E189 PolarHBondContact OG1-OE1 2.85Å; E189-K191 PolarHBondContact O-N 2.93Å; E189-S192 VanDerWaalsContact O-CB 3.3Å; E189-S192 WeakPolarHBondContact O-CB 3.49Å; E189-S192 PolarHBondContact O-N 3.34Å; E189-S192 PolarHBondContact O-OG 2.85Å; E189-Y193 WeakPolarHBondContact O-CD2 3.47Å
190S98.4Very high97Very high46 Ų4656.8 Ų56.832%0.32228%0.282SS..Hα-helixtrans-57-35.4178.460.40000113.3S192 Y193 V194 A219 A223S190-S192 PolarHBondContact O-N 2.92Å; S190-S192 VanDerWaalsContact O-N 3.12Å; S190-Y193 PolarHBondContact O-N 3.02Å; S190-V194 PolarHBondContact O-N 3.28Å; S190-A219 VanDerWaalsContact CA-O 3.22Å; S190-A219 WeakPolarHBondContact CA-O 3.35Å; S190-A219 VanDerWaalsContact CB-O 3.24Å; S190-A219 WeakPolarHBondContact CB-O 3.35Å; S190-A223 WeakPolarHBondContact O-CB 2.99Å
191K98.4Very high97Very high143 Ų14358.9 Ų58.962%0.62231%0.311SS*.Hα-helixtrans-58.2-26.9176.4-66.5-177.4179.5175.70113.5E189 R195E189-K191 PolarHBondContact O-N 2.93Å; K191-R195 WeakPolarHBondContact O-CG 3.36Å; K191-R195 PolarHBondContact O-N 3.34Å; K191-R195 VanDerWaalsContact O-N 3.17Å
192S98.5Very high97.1Very high0 Ų059.2 Ų59.20%031%0.314CS..Hα-helixtrans-66.7-42.7176.4-560000111Y152 G185 T186 E189 S190 R195 I196Y152-S192 WeakPolarHBondContact OH-CB 3.46Å; G185-S192 VanDerWaalsContact C-OG 3.27Å; G185-S192 WeakPolarHBondContact CA-OG 3.23Å; T186-S192 PolarHBondContact N-OG 3.16Å; T186-S192 VanDerWaalsContact O-CB 3.27Å; T186-S192 WeakPolarHBondContact O-CB 3.44Å; T186-S192 PolarHBondContact O-OG 3.27Å; E189-S192 VanDerWaalsContact O-CB 3.3Å; E189-S192 WeakPolarHBondContact O-CB 3.49Å; E189-S192 PolarHBondContact O-N 3.34Å; E189-S192 PolarHBondContact O-OG 2.85Å; S190-S192 PolarHBondContact O-N 2.92Å; S190-S192 VanDerWaalsContact O-N 3.12Å; S192-R195 PolarHBondContact O-N 2.92Å; S192-R195 PolarHBondContact OG-NH2 3.48Å; S192-I196 VanDerWaalsContact O-CG1 3.31Å; S192-I196 WeakPolarHBondContact O-CG1 3.32Å; S192-I196 PolarHBondContact O-N 3.34Å
193Y98.8Very high97.4Very high2 Ų259 Ų591%0.00831%0.314CS..Hα-helixtrans-68.8-36.3178.7-60.9-84.7000112.3L14 Y152 K187 E189 S190 I196 A197 F209 E216 A219 A220L14-Y193 HydrophobicContact CD2-CD1 4.19Å; L14-Y193 HydrophobicContact CD2-CE1 4.31Å; Y152-Y193 AromaticContact CD1-CE1 3.95Å; Y152-Y193 HydrophobicContact CD1-CE1 3.95Å; Y152-Y193 AromaticContact CE1-CE1 3.9Å; Y152-Y193 HydrophobicContact CE1-CE1 3.9Å; Y152-Y193 AromaticContact CE1-CZ 3.92Å; K187-Y193 VanDerWaalsContact O-CE2 3.3Å; K187-Y193 WeakPolarHBondContact O-CE2 3.47Å; K187-Y193 PolarHBondContact O-OH 3.39Å; E189-Y193 WeakPolarHBondContact O-CD2 3.47Å; S190-Y193 PolarHBondContact O-N 3.02Å; Y193-I196 PolarHBondContact O-N 3.03Å; Y193-A197 WeakPolarHBondContact O-CB 3.07Å; Y193-A197 PolarHBondContact O-N 2.75Å; Y193-F209 AromaticContact CE1-CD1 3.81Å; Y193-F209 HydrophobicContact CE1-CD1 3.81Å; Y193-F209 AromaticContact CE1-CE1 3.74Å; Y193-F209 HydrophobicContact CE1-CE1 3.74Å; Y193-F209 HydrophobicContact CE1-CG 4.26Å; Y193-F209 HydrophobicContact CE1-CZ 4.15Å; Y193-F209 AromaticContact CZ-CE1 3.95Å; Y193-F209 WeakPolarHBondContact OH-CE1 3.49Å; Y193-E216 PolarHBondContact OH-O 2.91Å; Y193-A219 HydrophobicContact CD2-CB 4.34Å; Y193-A219 HydrophobicContact CE2-CB 3.72Å; Y193-A220 HydrophobicContact CD1-CB 3.76Å; Y193-A220 HydrophobicContact CD2-CB 4.23Å; Y193-A220 HydrophobicContact CE1-CB 3.67Å; Y193-A220 HydrophobicContact CE2-CB 4.16Å; Y193-A220 HydrophobicContact CG-CB 4.04Å
194V98.6Very high97.6Very high56 Ų5653.9 Ų53.934%0.33929%0.288SS..Hα-helixtrans-58.7-48.3170.9177.80000110.8S190 I196 A197 E198 A223S190-V194 PolarHBondContact O-N 3.28Å; V194-I196 VanDerWaalsContact C-N 3.33Å; V194-I196 PolarHBondContact O-N 3.4Å; V194-A197 PolarHBondContact O-N 3.32Å; V194-E198 WeakPolarHBondContact O-CG 3.4Å; V194-E198 PolarHBondContact O-N 3.49Å; V194-A223 HydrophobicContact CG2-CB 3.97Å
195R98.7Very high97.8Very high81 Ų8157.4 Ų57.431%0.30630%0.304SS..Hα-helixtrans-65.1-35.2177.6-71.8-174.6-65.1-97.3-0.6112.8I184 K191 S192 R199I184-R195 HydrophobicContact CD1-CB 3.87Å; I184-R195 HydrophobicContact CG1-CB 3.93Å; I184-R195 PolarHBondContact O-NE 2.92Å; I184-R195 PolarHBondContact O-NH2 2.92Å; K191-R195 WeakPolarHBondContact O-CG 3.36Å; K191-R195 PolarHBondContact O-N 3.34Å; K191-R195 VanDerWaalsContact O-N 3.17Å; S192-R195 PolarHBondContact O-N 2.92Å; S192-R195 PolarHBondContact OG-NH2 3.48Å; R195-R199 WeakPolarHBondContact O-CB 3.48Å; R195-R199 VanDerWaalsContact O-CG 3.23Å; R195-R199 WeakPolarHBondContact O-CG 3.4Å; R195-R199 PolarHBondContact O-N 2.96Å
196I98.6Very high97.9Very high1 Ų159.4 Ų59.41%0.00531%0.31CS..Hα-helixtrans-62.6-48.2173.8-73.3169.2000110L14 Y152 F180 I184 S192 Y193 V194 E198 R199 M200L14-I196 HydrophobicContact CD1-CG2 4.22Å; L14-I196 HydrophobicContact CD2-CD1 4.16Å; L14-I196 HydrophobicContact CD2-CG2 4.09Å; Y152-I196 HydrophobicContact CD1-CD1 3.53Å; Y152-I196 HydrophobicContact CD2-CD1 3.98Å; Y152-I196 HydrophobicContact CE1-CD1 3.63Å; Y152-I196 HydrophobicContact CE2-CD1 4.09Å; Y152-I196 HydrophobicContact CG-CD1 3.71Å; F180-I196 HydrophobicContact CB-CD1 4.31Å; F180-I196 HydrophobicContact CB-CG1 4.38Å; F180-I196 HydrophobicContact CD1-CG1 4.09Å; F180-I196 HydrophobicContact CD2-CG1 4.24Å; F180-I196 HydrophobicContact CD2-CG2 4Å; F180-I196 HydrophobicContact CE1-CG1 4.45Å; F180-I196 HydrophobicContact CE2-CG2 3.75Å; F180-I196 HydrophobicContact CG-CD1 4.34Å; F180-I196 HydrophobicContact CG-CG1 3.97Å; F180-I196 HydrophobicContact CZ-CG2 4.11Å; I184-I196 HydrophobicContact CG1-CG1 3.96Å; I184-I196 HydrophobicContact CG2-CD1 4.08Å; I184-I196 HydrophobicContact CG2-CG1 3.97Å; S192-I196 VanDerWaalsContact O-CG1 3.31Å; S192-I196 WeakPolarHBondContact O-CG1 3.32Å; S192-I196 PolarHBondContact O-N 3.34Å; Y193-I196 PolarHBondContact O-N 3.03Å; V194-I196 VanDerWaalsContact C-N 3.33Å; V194-I196 PolarHBondContact O-N 3.4Å; I196-E198 PolarHBondContact O-N 3.05Å; I196-R199 WeakPolarHBondContact O-CB 3.48Å; I196-R199 PolarHBondContact O-N 2.71Å; I196-R199 VanDerWaalsContact O-N 3.1Å; I196-M200 HydrophobicContact CG2-CG 4.28Å; I196-M200 HydrophobicContact CG2-SD 3.43Å; I196-M200 WeakPolarHBondContact CG2-SD 3.27Å; I196-M200 WeakPolarHBondContact O-CB 3.33Å; I196-M200 VanDerWaalsContact O-CG 3.31Å; I196-M200 WeakPolarHBondContact O-CG 3.44Å; I196-M200 PolarHBondContact O-N 3.37Å
197A98.5Very high98.1Very high2 Ų256.8 Ų56.82%0.01729%0.293CS..Hα-helixtrans-58.7-45.2177.800000112.1Y193 V194 R199 M200 G201 C202 P204 I207Y193-A197 WeakPolarHBondContact O-CB 3.07Å; Y193-A197 PolarHBondContact O-N 2.75Å; V194-A197 PolarHBondContact O-N 3.32Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 3.29Å; A197-M200 CarbonylContact O-C 3.56Å; A197-M200 PolarHBondContact O-N 3.39Å; A197-G201 PolarHBondContact O-N 2.9Å; A197-C202 CarbonylContact C-O 3.53Å; A197-C202 WeakPolarHBondContact CB-O 3.12Å; A197-C202 PolarHBondContact O-N 3.15Å; A197-C202 VanDerWaalsContact O-O 3.13Å; A197-P204 HydrophobicContact CB-CB 4.47Å; A197-P204 HydrophobicContact CB-CG 3.95Å; A197-I207 HydrophobicContact CB-CD1 3.64Å
198E98.1Very high98.2Very high138 Ų13856.1 Ų56.165%0.64529%0.291SS*.Hα-helixtrans-57.2-43.7173-71.8173.1172.300112.4V194 I196 G201V194-E198 WeakPolarHBondContact O-CG 3.4Å; V194-E198 PolarHBondContact O-N 3.49Å; I196-E198 PolarHBondContact O-N 3.05Å; E198-G201 PolarHBondContact O-N 3.49Å
199R98.1Very high98.2Very high193 Ų19352.2 Ų52.273%0.72827%0.267SS*.Hα-helixtrans-68.7-34.2178-73.2-68.5-169.4179.72.5112.9F180 I184 R195 I196 A197 G201F180-R199 HydrophobicContact CE1-CB 3.78Å; F180-R199 HydrophobicContact CE1-CG 4.28Å; F180-R199 HydrophobicContact CZ-CB 4.03Å; I184-R199 HydrophobicContact CD1-CG 4.1Å; R195-R199 WeakPolarHBondContact O-CB 3.48Å; R195-R199 VanDerWaalsContact O-CG 3.23Å; R195-R199 WeakPolarHBondContact O-CG 3.4Å; R195-R199 PolarHBondContact O-N 2.96Å; I196-R199 WeakPolarHBondContact O-CB 3.48Å; I196-R199 PolarHBondContact O-N 2.71Å; I196-R199 VanDerWaalsContact O-N 3.1Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 3.29Å; R199-G201 VanDerWaalsContact C-N 3.26Å
200M97.6Very high98.3Very high15 Ų1548 Ų487%0.07425%0.247CC..Hα-helixtrans-75.1-19.3175.2-69.9170.952.100112.1A12 Y150 F180 I196 A197 I207A12-M200 HydrophobicContact CB-CE 3.21Å; Y150-M200 HydrophobicContact CD1-CG 4.27Å; Y150-M200 HydrophobicContact CD2-CE 3.49Å; Y150-M200 VanDerWaalsContact CD2-CE 3.49Å; Y150-M200 HydrophobicContact CD2-CG 4.23Å; Y150-M200 HydrophobicContact CD2-SD 3.93Å; Y150-M200 HydrophobicContact CE1-CG 4.12Å; Y150-M200 HydrophobicContact CE2-CE 3.63Å; Y150-M200 HydrophobicContact CE2-CG 4.04Å; Y150-M200 HydrophobicContact CE2-SD 4.26Å; Y150-M200 HydrophobicContact CG-CE 4.24Å; Y150-M200 HydrophobicContact CG-CG 4.34Å; Y150-M200 HydrophobicContact CG-SD 4.09Å; F180-M200 HydrophobicContact CE2-CG 3.98Å; F180-M200 HydrophobicContact CE2-SD 4.04Å; F180-M200 HydrophobicContact CZ-CG 3.88Å; F180-M200 HydrophobicContact CZ-SD 4.48Å; I196-M200 HydrophobicContact CG2-CG 4.28Å; I196-M200 HydrophobicContact CG2-SD 3.43Å; I196-M200 WeakPolarHBondContact CG2-SD 3.27Å; I196-M200 WeakPolarHBondContact O-CB 3.33Å; I196-M200 VanDerWaalsContact O-CG 3.31Å; I196-M200 WeakPolarHBondContact O-CG 3.44Å; I196-M200 PolarHBondContact O-N 3.37Å; A197-M200 CarbonylContact O-C 3.56Å; A197-M200 PolarHBondContact O-N 3.39Å; M200-I207 HydrophobicContact CE-CD1 3.84Å; M200-I207 HydrophobicContact CE-CG1 3.93Å; M200-I207 HydrophobicContact SD-CD1 3.97Å
201G97.5Very high98.3Very high69 Ų6945.8 Ų45.871%0.71123%0.232SC*.THydrogen-bonded Turntrans73.132.3-179.200000112.9A197 E198 R199A197-G201 PolarHBondContact O-N 2.9Å; E198-G201 PolarHBondContact O-N 3.49Å; R199-G201 VanDerWaalsContact C-N 3.26Å
202C96.9Very high98.3Very high22 Ų2240 Ų4015%0.14921%0.207CC..SBendtrans-136.2155.2178.660.80000110.9A197A197-C202 CarbonylContact C-O 3.53Å; A197-C202 WeakPolarHBondContact CB-O 3.12Å; A197-C202 PolarHBondContact O-N 3.15Å; A197-C202 VanDerWaalsContact O-O 3.13Å
203P97.9Very high98.2Very high49 Ų4942 Ų4232%0.31822%0.22SC..  trans-61.9146.3170.9-19.531.5000112.3E205 E206P203-E205 HydrophobicContact CB-CG 4.13Å; P203-E205 WeakPolarHBondContact CB-OE1 3.38Å; P203-E205 VanDerWaalsContact CB-OE2 3.27Å; P203-E205 WeakPolarHBondContact CB-OE2 3.31Å; P203-E205 PolarHBondContact O-N 2.93Å; P203-E206 HydrophobicContact CB-CG 4.25Å; P203-E206 VanDerWaalsContact CD-CD 3.44Å; P203-E206 WeakPolarHBondContact CD-OE1 3.38Å; P203-E206 HydrophobicContact CG-CG 4.14Å; P203-E206 PolarHBondContact O-N 3.3Å
204P98.3Very high98.2Very high30 Ų3043 Ų4320%0.19523%0.226CC..G310 helixtrans-52.7-38.3176.8-27.435.3000114.1A197 E206 I207 A223 G224 V225A197-P204 HydrophobicContact CB-CB 4.47Å; A197-P204 HydrophobicContact CB-CG 3.95Å; P204-E206 PolarHBondContact O-N 3.45Å; P204-I207 WeakPolarHBondContact O-CB 3.49Å; P204-I207 PolarHBondContact O-N 2.92Å; P204-A223 WeakPolarHBondContact CB-O 3.4Å; P204-G224 CarbonylContact C-O 3.59Å; P204-V225 HydrophobicContact CB-CG2 3.87Å; P204-V225 WeakPolarHBondContact O-CA 3.35Å
205E97.9Very high98.2Very high99 Ų9949 Ų4946%0.46324%0.242SC..G310 helixtrans-68.1-12.2-179.764.6-90.6-151.500114.2N9 P203 G224 N226N9-E205 PolarHBondContact ND2-O 3.09Å; P203-E205 HydrophobicContact CB-CG 4.13Å; P203-E205 WeakPolarHBondContact CB-OE1 3.38Å; P203-E205 VanDerWaalsContact CB-OE2 3.27Å; P203-E205 WeakPolarHBondContact CB-OE2 3.31Å; P203-E205 PolarHBondContact O-N 2.93Å; E205-G224 VanDerWaalsContact CA-O 3.3Å; E205-G224 WeakPolarHBondContact CA-O 3.25Å; E205-G224 PolarHBondContact N-O 2.97Å; E205-N226 PolarHBondContact O-ND2 3.45Å
206E98.2Very high98.2Very high56 Ų5646 Ų4626%0.26223%0.232SC..G310 helixtrans-91.7-0.2172.2-59.4-171.7-17100112.7N9 T10 T11 A12 P203 P204N9-E206 WeakPolarHBondContact O-CB 3.44Å; N9-E206 WeakPolarHBondContact O-CG 3.23Å; T10-E206 CarbonylContact C-O 3.55Å; T10-E206 VanDerWaalsContact CA-O 3.3Å; T10-E206 WeakPolarHBondContact CA-O 3.42Å; T10-E206 WeakPolarHBondContact CG2-O 3.47Å; T11-E206 HydrophobicContact CG2-CB 4.4Å; T11-E206 VanDerWaalsContact CG2-OE2 3.23Å; T11-E206 WeakPolarHBondContact CG2-OE2 3.31Å; T11-E206 PolarHBondContact N-O 3.37Å; T11-E206 PolarHBondContact OG1-OE2 3.32Å; A12-E206 PolarHBondContact N-O 3.12Å; P203-E206 HydrophobicContact CB-CG 4.25Å; P203-E206 VanDerWaalsContact CD-CD 3.44Å; P203-E206 WeakPolarHBondContact CD-OE1 3.38Å; P203-E206 HydrophobicContact CG-CG 4.14Å; P203-E206 PolarHBondContact O-N 3.3Å; P204-E206 PolarHBondContact O-N 3.45Å
207I98.6Very high98.2Very high1 Ų146 Ų461%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-101.4137.4177.8-54.5175.2000108.7A12 L14 A197 M200 P204 V225 N226A12-I207 WeakPolarHBondContact O-CA 3.41Å; L14-I207 HydrophobicContact CB-CG2 3.89Å; A197-I207 HydrophobicContact CB-CD1 3.64Å; M200-I207 HydrophobicContact CE-CD1 3.84Å; M200-I207 HydrophobicContact CE-CG1 3.93Å; M200-I207 HydrophobicContact SD-CD1 3.97Å; P204-I207 WeakPolarHBondContact O-CB 3.49Å; P204-I207 PolarHBondContact O-N 2.92Å; I207-V225 HydrophobicContact CB-CG1 3.96Å; I207-V225 HydrophobicContact CB-CG2 4.46Å; I207-V225 HydrophobicContact CG2-CG1 3.84Å; I207-N226 WeakPolarHBondContact O-CB 3.39Å; I207-N226 PolarHBondContact O-N 3.27Å; I207-N226 PolarHBondContact O-ND2 3.23Å
208M98.4Very high98.2Very high4 Ų450.3 Ų50.32%0.0225%0.25CS..EExtended strand (participates in β ladder)trans-115.9119.3164178.5172.9-16400110.2V4 I6 T10 A12 L13 L14 L210 N226 A228 L255V4-M208 HydrophobicContact CG1-CE 4.38Å; I6-M208 HydrophobicContact CB-SD 4.44Å; I6-M208 HydrophobicContact CG1-SD 4.14Å; I6-M208 HydrophobicContact CG2-SD 4.2Å; T10-M208 HydrophobicContact CG2-CB 3.93Å; A12-M208 PolarHBondContact O-N 3.38Å; L13-M208 WeakPolarHBondContact CA-O 3.36Å; L13-M208 HydrophobicContact CD2-CB 3.87Å; L13-M208 HydrophobicContact CD2-CG 4.19Å; L13-M208 HydrophobicContact CD2-SD 4.46Å; L14-M208 PolarHBondContact N-O 3.46Å; M208-L210 HydrophobicContact CE-CD2 4.16Å; M208-L210 HydrophobicContact CG-CD2 4.34Å; M208-N226 CarbonylContact C-O 3.6Å; M208-N226 VanDerWaalsContact CA-O 3.32Å; M208-N226 WeakPolarHBondContact CA-O 3.41Å; M208-N226 HydrophobicContact CB-CB 4.23Å; M208-N226 HydrophobicContact CG-CB 4.41Å; M208-A228 HydrophobicContact CE-CB 3.47Å; M208-A228 VanDerWaalsContact CE-CB 3.47Å; M208-L255 HydrophobicContact CE-CD1 3.49Å; M208-L255 VanDerWaalsContact CE-CD1 3.49Å; M208-L255 HydrophobicContact SD-CD1 3.89Å; M208-L255 HydrophobicContact SD-CD2 4.18Å
209F98.8Very high98.2Very high0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-97.3130.9-179.7-179.8-132.3000111.2L14 D16 Y193 T211 E216 A220 V225 N226 V227 A228L14-F209 HydrophobicContact CB-CB 4.34Å; L14-F209 HydrophobicContact CB-CD2 3.82Å; L14-F209 HydrophobicContact CD2-CD2 3.72Å; L14-F209 HydrophobicContact CD2-CE2 4.21Å; L14-F209 HydrophobicContact CD2-CG 4.29Å; L14-F209 HydrophobicContact CG-CD2 3.67Å; L14-F209 HydrophobicContact CG-CE2 4.15Å; L14-F209 CarbonylContact O-C 3.58Å; L14-F209 VanDerWaalsContact O-CA 3.3Å; L14-F209 WeakPolarHBondContact O-CA 3.13Å; L14-F209 VanDerWaalsContact O-CD2 3.29Å; L14-F209 WeakPolarHBondContact O-CD2 3.44Å; D16-F209 HydrophobicContact CB-CE2 4.37Å; D16-F209 HydrophobicContact CB-CZ 4.46Å; Y193-F209 AromaticContact CE1-CD1 3.81Å; Y193-F209 HydrophobicContact CE1-CD1 3.81Å; Y193-F209 AromaticContact CE1-CE1 3.74Å; Y193-F209 HydrophobicContact CE1-CE1 3.74Å; Y193-F209 HydrophobicContact CE1-CG 4.26Å; Y193-F209 HydrophobicContact CE1-CZ 4.15Å; Y193-F209 AromaticContact CZ-CE1 3.95Å; Y193-F209 WeakPolarHBondContact OH-CE1 3.49Å; F209-T211 HydrophobicContact CD1-CG2 3.81Å; F209-T211 HydrophobicContact CE1-CG2 3.38Å; F209-T211 HydrophobicContact CZ-CG2 3.97Å; F209-E216 HydrophobicContact CE1-CB 4.02Å; F209-A220 HydrophobicContact CB-CB 4.46Å; F209-A220 HydrophobicContact CD1-CB 3.74Å; F209-A220 HydrophobicContact CE1-CB 4.49Å; F209-A220 HydrophobicContact CG-CB 4.49Å; F209-V225 HydrophobicContact CB-CG1 3.82Å; F209-N226 PolarHBondContact N-O 3.22Å; F209-V227 HydrophobicContact CB-CG2 4.49Å; F209-V227 WeakPolarHBondContact O-CA 3.49Å; F209-A228 PolarHBondContact O-N 2.94Å
210L98.8Very high98.2Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-111.2119.6174.4-54.2-172.6000109.2L14 L15 D16 T20 W142 M208 A228 V230 I249 F252 L255L14-L210 PolarHBondContact O-N 2.95Å; L15-L210 HydrophobicContact CD2-CB 3.94Å; L15-L210 HydrophobicContact CD2-CD1 3.59Å; L15-L210 HydrophobicContact CD2-CG 3.85Å; D16-L210 WeakPolarHBondContact CB-O 3.47Å; D16-L210 PolarHBondContact N-O 2.94Å; T20-L210 HydrophobicContact CG2-CB 4.29Å; W142-L210 HydrophobicContact CH2-CD1 4.02Å; M208-L210 HydrophobicContact CE-CD2 4.16Å; M208-L210 HydrophobicContact CG-CD2 4.34Å; L210-A228 HydrophobicContact CD2-CB 3.76Å; L210-V230 HydrophobicContact CB-CG2 3.84Å; L210-I249 HydrophobicContact CD1-CD1 4.25Å; L210-I249 HydrophobicContact CD2-CD1 4.29Å; L210-F252 HydrophobicContact CD1-CD1 4.19Å; L210-F252 HydrophobicContact CD1-CE1 3.83Å; L210-F252 HydrophobicContact CD1-CE2 4.43Å; L210-F252 HydrophobicContact CD1-CZ 3.95Å; L210-L255 HydrophobicContact CD1-CD2 4.16Å; L210-L255 HydrophobicContact CD2-CD2 4.4Å
211T98.7Very high98.3Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-146.2153.9178.6177.10000109.8D16 T20 F209 V213 E216 A217 V227 A228 V229 V230D16-T211 PolarHBondContact OD2-OG1 2.93Å; T20-T211 WeakPolarHBondContact OG1-CA 3.34Å; F209-T211 HydrophobicContact CD1-CG2 3.81Å; F209-T211 HydrophobicContact CE1-CG2 3.38Å; F209-T211 HydrophobicContact CZ-CG2 3.97Å; T211-V213 PolarHBondContact OG1-N 3.22Å; T211-E216 HydrophobicContact CG2-CB 4.19Å; T211-E216 PolarHBondContact OG1-OE2 3.44Å; T211-A217 HydrophobicContact CG2-CB 4.02Å; T211-V227 HydrophobicContact CG2-CG1 4.45Å; T211-A228 PolarHBondContact N-O 3.35Å; T211-V229 CarbonylContact O-C 3.53Å; T211-V229 VanDerWaalsContact O-CA 3.23Å; T211-V229 WeakPolarHBondContact O-CA 3.42Å; T211-V230 PolarHBondContact O-N 3.28Å
212D98.2Very high98.3Very high21 Ų2138.4 Ų38.411%0.11219%0.188CC..SBendtrans-87.3-15.6169.367.2-54.1000112.9T20 V230 N235T20-D212 PolarHBondContact OG1-N 3.24Å; T20-D212 VanDerWaalsContact OG1-N 3.13Å; D212-V230 WeakPolarHBondContact CA-O 3.46Å; D212-V230 VanDerWaalsContact CB-O 3.23Å; D212-V230 WeakPolarHBondContact CB-O 3.41Å; D212-N235 HydrophobicContact CB-CB 4.49Å; D212-N235 WeakPolarHBondContact CB-ND2 3.28Å
213V97.9Very high98.4Very high42 Ų4238 Ų3826%0.25519%0.187SC..  trans-96.4113.7-172.7-176.80000111.2T211 R215 E216 A217T211-V213 PolarHBondContact OG1-N 3.22Å; V213-R215 VanDerWaalsContact C-N 3.26Å; V213-R215 HydrophobicContact CG1-CB 4.24Å; V213-R215 PolarHBondContact O-N 3.34Å; V213-E216 HydrophobicContact CB-CB 4.31Å; V213-E216 HydrophobicContact CB-CG 3.84Å; V213-E216 HydrophobicContact CG1-CG 3.89Å; V213-E216 WeakPolarHBondContact O-CB 3.27Å; V213-E216 PolarHBondContact O-N 3.4Å; V213-A217 PolarHBondContact O-N 3.2Å
214T97.8Very high98.4Very high23 Ų2337.6 Ų37.614%0.14119%0.192CC..Hα-helixtrans-63.5-26.8-177.455.80000114.5E216 A217 K218 L238 E242 Y246T214-E216 VanDerWaalsContact C-N 3.33Å; T214-A217 WeakPolarHBondContact O-CB 3.38Å; T214-A217 PolarHBondContact O-N 3.45Å; T214-K218 WeakPolarHBondContact O-CB 3.25Å; T214-K218 PolarHBondContact O-N 3.08Å; T214-L238 HydrophobicContact CG2-CD2 3.43Å; T214-L238 VanDerWaalsContact CG2-CD2 3.43Å; T214-E242 VanDerWaalsContact CB-OE1 3.24Å; T214-E242 WeakPolarHBondContact CB-OE1 3.49Å; T214-E242 HydrophobicContact CG2-CB 4.23Å; T214-E242 HydrophobicContact CG2-CG 4.02Å; T214-E242 WeakPolarHBondContact CG2-OE1 3.36Å; T214-E242 PolarHBondContact OG1-OE1 2.91Å; T214-Y246 HydrophobicContact CG2-CD2 4.16Å; T214-Y246 HydrophobicContact CG2-CE2 3.87Å; T214-Y246 PolarHBondContact O-OH 2.88Å
215R98.1Very high98.4Very high182 Ų18236.4 Ų36.469%0.68718%0.184SC*.Hα-helixtrans-68.4-33.6173-68.3-175.9-67.8177.7-2.1112.5V188 V213 A219V188-R215 HydrophobicContact CG1-CB 4.05Å; V213-R215 VanDerWaalsContact C-N 3.26Å; V213-R215 HydrophobicContact CG1-CB 4.24Å; V213-R215 PolarHBondContact O-N 3.34Å; R215-A219 PolarHBondContact O-N 3.26Å
216E98.5Very high98.4Very high20 Ų2034 Ų349%0.09317%0.174CC..Hα-helixtrans-74.5-43.1174.5-59-176.6169.400110.3K187 V188 Y193 F209 T211 V213 T214 K218 A219 A220K187-E216 HydrophobicContact CB-CG 3.85Å; K187-E216 WeakPolarHBondContact CB-OE1 3.16Å; K187-E216 VanDerWaalsContact CD-OE1 3.29Å; K187-E216 WeakPolarHBondContact CD-OE1 3.5Å; K187-E216 WeakPolarHBondContact CE-OE1 3.14Å; K187-E216 WeakPolarHBondContact CE-OE2 3.33Å; K187-E216 IonicContact NZ-OE1 3.28Å; K187-E216 PolarHBondContact NZ-OE1 3.2Å; K187-E216 IonicContact NZ-OE2 3.49Å; K187-E216 PolarHBondContact NZ-OE2 3.38Å; V188-E216 HydrophobicContact CG1-CG 4.29Å; Y193-E216 PolarHBondContact OH-O 2.91Å; F209-E216 HydrophobicContact CE1-CB 4.02Å; T211-E216 HydrophobicContact CG2-CB 4.19Å; T211-E216 PolarHBondContact OG1-OE2 3.44Å; V213-E216 HydrophobicContact CB-CB 4.31Å; V213-E216 HydrophobicContact CB-CG 3.84Å; V213-E216 HydrophobicContact CG1-CG 3.89Å; V213-E216 WeakPolarHBondContact O-CB 3.27Å; V213-E216 PolarHBondContact O-N 3.4Å; T214-E216 VanDerWaalsContact C-N 3.33Å; E216-K218 VanDerWaalsContact C-N 3.32Å; E216-K218 PolarHBondContact O-N 3.34Å; E216-A219 PolarHBondContact O-N 3.21Å; E216-A219 VanDerWaalsContact O-N 3.15Å; E216-A220 PolarHBondContact O-N 3.1Å
217A98.5Very high98.4Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-52.1-51.1172.500000111.5T211 V213 T214 A219 A220 E221 V227 V229 Y246T211-A217 HydrophobicContact CG2-CB 4.02Å; V213-A217 PolarHBondContact O-N 3.2Å; T214-A217 WeakPolarHBondContact O-CB 3.38Å; T214-A217 PolarHBondContact O-N 3.45Å; A217-A219 VanDerWaalsContact C-N 3.32Å; A217-A219 PolarHBondContact O-N 3.4Å; A217-A220 WeakPolarHBondContact O-CB 3.45Å; A217-A220 PolarHBondContact O-N 3.24Å; A217-A220 VanDerWaalsContact O-N 3.17Å; A217-E221 PolarHBondContact O-N 3.38Å; A217-V227 HydrophobicContact CB-CG1 3.59Å; A217-V229 HydrophobicContact CB-CG2 4.1Å; A217-Y246 HydrophobicContact CB-CD1 4.3Å; A217-Y246 HydrophobicContact CB-CE1 3.62Å; A217-Y246 HydrophobicContact CB-CE2 4.48Å
218K98.5Very high98.4Very high92 Ų9231.9 Ų31.940%0.417%0.165SC..Hα-helixtrans-59.3-41.9178.2-176.160.2174.8710112.8T214 E216 A220 E221 D222 Y246T214-K218 WeakPolarHBondContact O-CB 3.25Å; T214-K218 PolarHBondContact O-N 3.08Å; E216-K218 VanDerWaalsContact C-N 3.32Å; E216-K218 PolarHBondContact O-N 3.34Å; K218-A220 VanDerWaalsContact C-N 3.34Å; K218-E221 PolarHBondContact O-N 3.03Å; K218-D222 IonicContact NZ-OD1 2.71Å; K218-D222 PolarHBondContact NZ-OD1 2.93Å; K218-D222 IonicContact NZ-OD2 3.05Å; K218-D222 PolarHBondContact NZ-OD2 2.75Å; K218-D222 WeakPolarHBondContact O-CB 3.48Å; K218-D222 VanDerWaalsContact O-CG 3.25Å; K218-D222 PolarHBondContact O-N 3.08Å; K218-Y246 PolarHBondContact N-OH 2.95Å
219A98.7Very high98.4Very high5 Ų531.7 Ų31.74%0.04116%0.164CC..Hα-helixtrans-66.9-35.7178.800000112.3V188 S190 Y193 R215 E216 A217 A223V188-A219 VanDerWaalsContact C-CB 3.49Å; S190-A219 VanDerWaalsContact CA-O 3.22Å; S190-A219 WeakPolarHBondContact CA-O 3.35Å; S190-A219 VanDerWaalsContact CB-O 3.24Å; S190-A219 WeakPolarHBondContact CB-O 3.35Å; Y193-A219 HydrophobicContact CD2-CB 4.34Å; Y193-A219 HydrophobicContact CE2-CB 3.72Å; R215-A219 PolarHBondContact O-N 3.26Å; E216-A219 PolarHBondContact O-N 3.21Å; E216-A219 VanDerWaalsContact O-N 3.15Å; A217-A219 VanDerWaalsContact C-N 3.32Å; A217-A219 PolarHBondContact O-N 3.4Å; A219-A223 PolarHBondContact O-N 2.74Å
220A98.7Very high98.4Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-68.3-45.2173.900000111.6Y193 F209 E216 A217 K218 D222 A223 G224 V225 V227Y193-A220 HydrophobicContact CD1-CB 3.76Å; Y193-A220 HydrophobicContact CD2-CB 4.23Å; Y193-A220 HydrophobicContact CE1-CB 3.67Å; Y193-A220 HydrophobicContact CE2-CB 4.16Å; Y193-A220 HydrophobicContact CG-CB 4.04Å; F209-A220 HydrophobicContact CB-CB 4.46Å; F209-A220 HydrophobicContact CD1-CB 3.74Å; F209-A220 HydrophobicContact CE1-CB 4.49Å; F209-A220 HydrophobicContact CG-CB 4.49Å; E216-A220 PolarHBondContact O-N 3.1Å; A217-A220 WeakPolarHBondContact O-CB 3.45Å; A217-A220 PolarHBondContact O-N 3.24Å; A217-A220 VanDerWaalsContact O-N 3.17Å; K218-A220 VanDerWaalsContact C-N 3.34Å; A220-D222 VanDerWaalsContact C-N 3.31Å; A220-D222 PolarHBondContact O-N 3.41Å; A220-A223 CarbonylContact O-C 3.56Å; A220-A223 WeakPolarHBondContact O-CA 3.31Å; A220-A223 WeakPolarHBondContact O-CB 3.49Å; A220-A223 PolarHBondContact O-N 3.27Å; A220-G224 PolarHBondContact O-N 3.48Å; A220-V225 HydrophobicContact CB-CB 4.07Å; A220-V225 HydrophobicContact CB-CG1 4.24Å; A220-V225 WeakPolarHBondContact O-CB 3.38Å; A220-V225 PolarHBondContact O-N 2.92Å; A220-V227 HydrophobicContact CB-CG2 3.72Å
221E98.4Very high98.3Very high63 Ų6333.7 Ų33.729%0.29418%0.176SC..Hα-helixtrans-58-42.5174.1-73.5-173.3154.900111.8A217 K218 A223 G224 V227 H245 Y246A217-E221 PolarHBondContact O-N 3.38Å; K218-E221 PolarHBondContact O-N 3.03Å; E221-A223 PolarHBondContact O-N 3.37Å; E221-A223 VanDerWaalsContact O-N 3.13Å; E221-G224 PolarHBondContact O-N 2.96Å; E221-V227 HydrophobicContact CG-CB 4.35Å; E221-V227 HydrophobicContact CG-CG2 3.83Å; E221-H245 IonicContact OE1-NE2 2.82Å; E221-H245 PolarHBondContact OE1-NE2 3.15Å; E221-H245 IonicContact OE2-CD2 3.62Å; E221-H245 IonicContact OE2-CE1 3.3Å; E221-H245 IonicContact OE2-NE2 3.71Å; E221-H245 PolarHBondContact OE2-NE2 2.94Å; E221-Y246 WeakPolarHBondContact OE1-CE1 3.3Å
222D98.6Very high98.3Very high97 Ų9734.7 Ų34.752%0.51918%0.18SC..THydrogen-bonded Turntrans-63.4-17.3176.3-74.5-21.9000113.5K218 A220K218-D222 IonicContact NZ-OD1 2.71Å; K218-D222 PolarHBondContact NZ-OD1 2.93Å; K218-D222 IonicContact NZ-OD2 3.05Å; K218-D222 PolarHBondContact NZ-OD2 2.75Å; K218-D222 WeakPolarHBondContact O-CB 3.48Å; K218-D222 VanDerWaalsContact O-CG 3.25Å; K218-D222 PolarHBondContact O-N 3.08Å; A220-D222 VanDerWaalsContact C-N 3.31Å; A220-D222 PolarHBondContact O-N 3.41Å
223A98.5Very high98.2Very high14 Ų1438.7 Ų38.712%0.11621%0.207CC..THydrogen-bonded Turntrans-94.7-1173.100000113.5S190 V194 P204 A219 A220 E221 V225S190-A223 WeakPolarHBondContact O-CB 2.99Å; V194-A223 HydrophobicContact CG2-CB 3.97Å; P204-A223 WeakPolarHBondContact CB-O 3.4Å; A219-A223 PolarHBondContact O-N 2.74Å; A220-A223 CarbonylContact O-C 3.56Å; A220-A223 WeakPolarHBondContact O-CA 3.31Å; A220-A223 WeakPolarHBondContact O-CB 3.49Å; A220-A223 PolarHBondContact O-N 3.27Å; E221-A223 PolarHBondContact O-N 3.37Å; E221-A223 VanDerWaalsContact O-N 3.13Å; A223-V225 HydrophobicContact CB-CG2 4.44Å
224G98.2Very high98Very high41 Ų4139.6 Ų39.642%0.42323%0.225SC..THydrogen-bonded Turntrans84.210.5-175.500000114.6P204 E205 A220 E221P204-G224 CarbonylContact C-O 3.59Å; E205-G224 VanDerWaalsContact CA-O 3.3Å; E205-G224 WeakPolarHBondContact CA-O 3.25Å; E205-G224 PolarHBondContact N-O 2.97Å; A220-G224 PolarHBondContact O-N 3.48Å; E221-G224 PolarHBondContact O-N 2.96Å
225V98.6Very high97.9Very high5 Ų539.5 Ų39.53%0.0322%0.224CC..  trans-82.2136.5177.5176.10000110P204 I207 F209 A220 A223P204-V225 HydrophobicContact CB-CG2 3.87Å; P204-V225 WeakPolarHBondContact O-CA 3.35Å; I207-V225 HydrophobicContact CB-CG1 3.96Å; I207-V225 HydrophobicContact CB-CG2 4.46Å; I207-V225 HydrophobicContact CG2-CG1 3.84Å; F209-V225 HydrophobicContact CB-CG1 3.82Å; A220-V225 HydrophobicContact CB-CB 4.07Å; A220-V225 HydrophobicContact CB-CG1 4.24Å; A220-V225 WeakPolarHBondContact O-CB 3.38Å; A220-V225 PolarHBondContact O-N 2.92Å; A223-V225 HydrophobicContact CB-CG2 4.44Å
226N98.2Very high97.7Very high49 Ų4938.8 Ų38.826%0.26223%0.23SC..EExtended strand (participates in β ladder)trans-71145.9173.5-55.2-83.8000110P7 E205 I207 M208 F209P7-N226 HydrophobicContact CG-CB 4.25Å; E205-N226 PolarHBondContact O-ND2 3.45Å; I207-N226 WeakPolarHBondContact O-CB 3.39Å; I207-N226 PolarHBondContact O-N 3.27Å; I207-N226 PolarHBondContact O-ND2 3.23Å; M208-N226 CarbonylContact C-O 3.6Å; M208-N226 VanDerWaalsContact CA-O 3.32Å; M208-N226 WeakPolarHBondContact CA-O 3.41Å; M208-N226 HydrophobicContact CB-CB 4.23Å; M208-N226 HydrophobicContact CG-CB 4.41Å; F209-N226 PolarHBondContact N-O 3.22Å
227V98.2Very high97.5Very high12 Ų1246.2 Ų46.27%0.07327%0.265CS..EExtended strand (participates in β ladder)trans-133.8144.3-177.1-173.20000111.9F209 T211 A217 A220 E221F209-V227 HydrophobicContact CB-CG2 4.49Å; F209-V227 WeakPolarHBondContact O-CA 3.49Å; T211-V227 HydrophobicContact CG2-CG1 4.45Å; A217-V227 HydrophobicContact CB-CG1 3.59Å; A220-V227 HydrophobicContact CB-CG2 3.72Å; E221-V227 HydrophobicContact CG-CB 4.35Å; E221-V227 HydrophobicContact CG-CG2 3.83Å
228A97.9Very high97.4Very high0 Ų047.1 Ų47.10%027%0.269CS..EExtended strand (participates in β ladder)trans-128.9140.4155.700000110.1M208 F209 L210 T211 N247M208-A228 HydrophobicContact CE-CB 3.47Å; M208-A228 VanDerWaalsContact CE-CB 3.47Å; F209-A228 PolarHBondContact O-N 2.94Å; L210-A228 HydrophobicContact CD2-CB 3.76Å; T211-A228 PolarHBondContact N-O 3.35Å; A228-N247 CarbonylContact C-O 3.59Å; A228-N247 WeakPolarHBondContact CA-O 3.4Å; A228-N247 HydrophobicContact CB-CB 4.29Å
229V98.4Very high97.2Very high0 Ų046 Ų460%027%0.27CS..EExtended strand (participates in β ladder)trans-89.7129.3179.5174.30000109.9T211 A217 L238 Y246 N247 L248 I249T211-V229 CarbonylContact O-C 3.53Å; T211-V229 VanDerWaalsContact O-CA 3.23Å; T211-V229 WeakPolarHBondContact O-CA 3.42Å; A217-V229 HydrophobicContact CB-CG2 4.1Å; V229-L238 HydrophobicContact CG1-CD1 3.96Å; V229-L238 HydrophobicContact CG1-CD2 4.14Å; V229-Y246 HydrophobicContact CG2-CD1 3.95Å; V229-Y246 HydrophobicContact CG2-CD2 3.82Å; V229-Y246 HydrophobicContact CG2-CE2 4.45Å; V229-Y246 HydrophobicContact CG2-CG 3.53Å; V229-N247 PolarHBondContact N-O 3.31Å; V229-L248 HydrophobicContact CB-CD2 3.78Å; V229-L248 HydrophobicContact CG1-CD2 4.14Å; V229-L248 WeakPolarHBondContact O-CA 3.47Å; V229-I249 PolarHBondContact O-N 2.89Å
230V98.4Very high97.1Very high1 Ų154.1 Ų54.11%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-96.9121.8-177.9-167.70000109.8T20 L210 T211 D212 R232 N235 I249 F252T20-V230 HydrophobicContact CG2-CB 4.27Å; T20-V230 HydrophobicContact CG2-CG2 3.88Å; L210-V230 HydrophobicContact CB-CG2 3.84Å; T211-V230 PolarHBondContact O-N 3.28Å; D212-V230 WeakPolarHBondContact CA-O 3.46Å; D212-V230 VanDerWaalsContact CB-O 3.23Å; D212-V230 WeakPolarHBondContact CB-O 3.41Å; V230-R232 HydrophobicContact CG1-CG 3.98Å; V230-N235 PolarHBondContact O-ND2 3.36Å; V230-N235 VanDerWaalsContact O-ND2 3.15Å; V230-I249 CarbonylContact C-O 3.41Å; V230-I249 WeakPolarHBondContact CA-O 3.2Å; V230-I249 HydrophobicContact CB-CG1 4.47Å; V230-I249 HydrophobicContact CG1-CG1 4.42Å; V230-I249 HydrophobicContact CG2-CD1 4.12Å; V230-I249 HydrophobicContact CG2-CG1 4.02Å; V230-F252 HydrophobicContact CG1-CE1 4.13Å; V230-F252 HydrophobicContact CG2-CE1 4.1Å
231V97.8Very high96.9Very high41 Ų4161.4 Ų61.425%0.24834%0.342CS..  trans-104.8106.7-180-177.20000108.8L238 L248 I249 T250V231-L238 HydrophobicContact CG2-CD1 3.85Å; V231-L248 HydrophobicContact CG2-CB 4.46Å; V231-I249 PolarHBondContact N-O 2.89Å; V231-T250 HydrophobicContact CB-CG2 3.98Å; V231-T250 HydrophobicContact CG1-CG2 4.33Å; V231-T250 WeakPolarHBondContact O-CA 3.34Å; V231-T250 WeakPolarHBondContact O-CG2 3.35Å
232R97.8Very high96.7Very high20 Ų2060.7 Ų60.78%0.07534%0.338CS..  trans-116160.3176.3-60-64.1-167.3168.34111.7G19 T20 Y132 D134 V230 G234 N235 T250G19-R232 WeakPolarHBondContact O-CB 3.18Å; G19-R232 WeakPolarHBondContact O-CG 3.43Å; T20-R232 PolarHBondContact O-NE 3.29Å; T20-R232 PolarHBondContact O-NH2 3.43Å; Y132-R232 HydrophobicContact CD2-CG 4.22Å; Y132-R232 HydrophobicContact CE2-CB 3.99Å; Y132-R232 HydrophobicContact CE2-CG 3.56Å; Y132-R232 WeakPolarHBondContact OH-CB 3.46Å; D134-R232 IonicContact OD1-CZ 3.93Å; D134-R232 IonicContact OD1-NH1 3.9Å; D134-R232 PolarHBondContact OD1-NH1 2.82Å; D134-R232 IonicContact OD1-NH2 3.01Å; D134-R232 PolarHBondContact OD1-NH2 3.01Å; D134-R232 IonicContact OD2-CZ 3.76Å; D134-R232 IonicContact OD2-NH1 3.38Å; D134-R232 PolarHBondContact OD2-NH1 3.25Å; D134-R232 IonicContact OD2-NH2 3.59Å; D134-R232 PolarHBondContact OD2-NH2 3.01Å; V230-R232 HydrophobicContact CG1-CG 3.98Å; R232-G234 PolarHBondContact O-N 3.24Å; R232-N235 PolarHBondContact N-ND2 3.33Å; R232-N235 WeakPolarHBondContact O-CB 3.3Å; R232-N235 PolarHBondContact O-N 3.03Å; R232-T250 PolarHBondContact NH1-O 3.03Å; R232-T250 VanDerWaalsContact NH1-O 3.1Å
233P96.1Very high96.5Very high105 Ų10561.5 Ų61.568%0.68233%0.334SS*.THydrogen-bonded Turntrans-57.1128.7172.5-23.634.5000111.6
234G94.1Very high96.3Very high61 Ų6165.8 Ų65.863%0.62936%0.363SS*.THydrogen-bonded Turntrans93.7-11.3-179.800000115R232R232-G234 PolarHBondContact O-N 3.24Å
235N95.7Very high96.2Very high22 Ų2269.2 Ų69.212%0.11837%0.368CS..SBendtrans-66.6158.8175.3-64.27.5000110.9G19 D212 V230 R232G19-N235 VanDerWaalsContact CA-OD1 3.27Å; G19-N235 WeakPolarHBondContact CA-OD1 3.47Å; G19-N235 PolarHBondContact O-ND2 3.08Å; D212-N235 HydrophobicContact CB-CB 4.49Å; D212-N235 WeakPolarHBondContact CB-ND2 3.28Å; V230-N235 PolarHBondContact O-ND2 3.36Å; V230-N235 VanDerWaalsContact O-ND2 3.15Å; R232-N235 PolarHBondContact N-ND2 3.33Å; R232-N235 WeakPolarHBondContact O-CB 3.3Å; R232-N235 PolarHBondContact O-N 3.03Å
236M93.6Very high96.1Very high166 Ų16670 Ų7082%0.81837%0.37SS*.PPolyproline II helixtrans-60.7141.2172.9-70.7-174.757.500111L238M236-L238 PolarHBondContact O-N 3.28Å
237E94.2Very high96Very high176 Ų17672.2 Ų72.282%0.82238%0.382SS*.PPolyproline II helixtrans-68.9129.5175-67.4-171.1168.300110.7
238L95.8Very high95.9Very high19 Ų1973 Ų7310%0.09939%0.386CS..PPolyproline II helixtrans-75.6141.7174.5-56.1173.7000110.6T214 V229 V231 M236 E242 R243 L248T214-L238 HydrophobicContact CG2-CD2 3.43Å; T214-L238 VanDerWaalsContact CG2-CD2 3.43Å; V229-L238 HydrophobicContact CG1-CD1 3.96Å; V229-L238 HydrophobicContact CG1-CD2 4.14Å; V231-L238 HydrophobicContact CG2-CD1 3.85Å; M236-L238 PolarHBondContact O-N 3.28Å; L238-E242 WeakPolarHBondContact CA-OE2 3.36Å; L238-E242 HydrophobicContact CB-CB 4.22Å; L238-R243 HydrophobicContact CB-CG 3.74Å; L238-R243 HydrophobicContact CD1-CG 4.31Å; L238-R243 PolarHBondContact O-NE 3.48Å; L238-R243 PolarHBondContact O-NH2 3Å; L238-L248 HydrophobicContact CD1-CD1 4.04Å; L238-L248 HydrophobicContact CD1-CD2 3.63Å; L238-L248 HydrophobicContact CD1-CG 4.49Å
239T96.3Very high95.9Very high68 Ų6873 Ų7342%0.41739%0.386SS..PPolyproline II helixtrans-66.7162.6170.874.20000111.2E241 E242 R243T239-E241 PolarHBondContact O-N 3.48Å; T239-E242 PolarHBondContact N-OE2 3.28Å; T239-E242 PolarHBondContact O-N 3.05Å; T239-E242 VanDerWaalsContact OG1-CG 3.31Å; T239-E242 WeakPolarHBondContact OG1-CG 3.4Å; T239-E242 PolarHBondContact OG1-N 3.14Å; T239-E242 VanDerWaalsContact OG1-N 3.14Å; T239-E242 PolarHBondContact OG1-OE2 3.42Å; T239-R243 VanDerWaalsContact O-CG 3.26Å; T239-R243 WeakPolarHBondContact O-CG 3.33Å; T239-R243 PolarHBondContact O-N 3.04Å
240E94.8Very high95.9Very high176 Ų17675.5 Ų75.582%0.82240%0.401SS*.Hα-helixtrans-60.3-37.2175.9-66.6-174.4166.400112R243 S244E240-R243 PolarHBondContact O-N 3.2Å; E240-S244 PolarHBondContact O-N 2.91Å; E240-S244 PolarHBondContact O-OG 2.87Å
241E94.9Very high95.8Very high154 Ų15476.8 Ų76.872%0.7241%0.409SS*.Hα-helixtrans-61.5-50.2176.4-66.2162.5177.400110.5T239 R243 S244 H245T239-E241 PolarHBondContact O-N 3.48Å; E241-R243 VanDerWaalsContact C-N 3.32Å; E241-R243 PolarHBondContact O-N 3.34Å; E241-S244 PolarHBondContact O-N 3.26Å; E241-S244 VanDerWaalsContact O-N 3.14Å; E241-S244 PolarHBondContact O-OG 2.87Å; E241-H245 WeakPolarHBondContact O-CB 3.49Å; E241-H245 PolarHBondContact O-N 3.35Å
242E95.6Very high95.9Very high47 Ų4774.9 Ų74.922%0.2240%0.397CS..Hα-helixtrans-61.7-39.9178.2-70.6171.2146.800112T214 L238 T239 S244 H245 Y246T214-E242 VanDerWaalsContact CB-OE1 3.24Å; T214-E242 WeakPolarHBondContact CB-OE1 3.49Å; T214-E242 HydrophobicContact CG2-CB 4.23Å; T214-E242 HydrophobicContact CG2-CG 4.02Å; T214-E242 WeakPolarHBondContact CG2-OE1 3.36Å; T214-E242 PolarHBondContact OG1-OE1 2.91Å; L238-E242 WeakPolarHBondContact CA-OE2 3.36Å; L238-E242 HydrophobicContact CB-CB 4.22Å; T239-E242 PolarHBondContact N-OE2 3.28Å; T239-E242 PolarHBondContact O-N 3.05Å; T239-E242 VanDerWaalsContact OG1-CG 3.31Å; T239-E242 WeakPolarHBondContact OG1-CG 3.4Å; T239-E242 PolarHBondContact OG1-N 3.14Å; T239-E242 VanDerWaalsContact OG1-N 3.14Å; T239-E242 PolarHBondContact OG1-OE2 3.42Å; E242-S244 VanDerWaalsContact C-N 3.27Å; E242-S244 PolarHBondContact O-N 3.28Å; E242-H245 PolarHBondContact O-N 2.9Å; E242-Y246 HydrophobicContact CB-CD2 4.37Å; E242-Y246 WeakPolarHBondContact O-CD2 3.43Å; E242-Y246 PolarHBondContact O-N 3.41Å
243R94.1Very high95.7Very high115 Ų11576.8 Ų76.843%0.43441%0.414SS..Hα-helixtrans-66.1-29177-69172-171.5-82.81.2113.3L238 T239 E240 E241 L248L238-R243 HydrophobicContact CB-CG 3.74Å; L238-R243 HydrophobicContact CD1-CG 4.31Å; L238-R243 PolarHBondContact O-NE 3.48Å; L238-R243 PolarHBondContact O-NH2 3Å; T239-R243 VanDerWaalsContact O-CG 3.26Å; T239-R243 WeakPolarHBondContact O-CG 3.33Å; T239-R243 PolarHBondContact O-N 3.04Å; E240-R243 PolarHBondContact O-N 3.2Å; E241-R243 VanDerWaalsContact C-N 3.32Å; E241-R243 PolarHBondContact O-N 3.34Å; R243-L248 HydrophobicContact CB-CD1 4.14Å; R243-L248 HydrophobicContact CG-CD1 3.99Å
244S94.1Very high95.7Very high103 Ų10373.2 Ų73.272%0.7239%0.388SS*.Hα-helixtrans-84.6-26.5176.871.90000113.2E240 E241 E242E240-S244 PolarHBondContact O-N 2.91Å; E240-S244 PolarHBondContact O-OG 2.87Å; E241-S244 PolarHBondContact O-N 3.26Å; E241-S244 VanDerWaalsContact O-N 3.14Å; E241-S244 PolarHBondContact O-OG 2.87Å; E242-S244 VanDerWaalsContact C-N 3.27Å; E242-S244 PolarHBondContact O-N 3.28Å
245H95.5Very high95.8Very high113 Ų11370.3 Ų70.352%0.52336%0.358SS..Hα-helixtrans-82.8-46.3-179.1-177.977.3000112.8E221 E241 E242E221-H245 IonicContact OE1-NE2 2.82Å; E221-H245 PolarHBondContact OE1-NE2 3.15Å; E221-H245 IonicContact OE2-CD2 3.62Å; E221-H245 IonicContact OE2-CE1 3.3Å; E221-H245 IonicContact OE2-NE2 3.71Å; E221-H245 PolarHBondContact OE2-NE2 2.94Å; E241-H245 WeakPolarHBondContact O-CB 3.49Å; E241-H245 PolarHBondContact O-N 3.35Å; E242-H245 PolarHBondContact O-N 2.9Å
246Y96.5Very high95.5Very high21 Ų2173.6 Ų73.68%0.08237%0.373CS..SBendtrans-94.9146.3-173.8-64.3-68.6000113.5T214 A217 K218 E221 V229 E242 L248T214-Y246 HydrophobicContact CG2-CD2 4.16Å; T214-Y246 HydrophobicContact CG2-CE2 3.87Å; T214-Y246 PolarHBondContact O-OH 2.88Å; A217-Y246 HydrophobicContact CB-CD1 4.3Å; A217-Y246 HydrophobicContact CB-CE1 3.62Å; A217-Y246 HydrophobicContact CB-CE2 4.48Å; K218-Y246 PolarHBondContact N-OH 2.95Å; E221-Y246 WeakPolarHBondContact OE1-CE1 3.3Å; V229-Y246 HydrophobicContact CG2-CD1 3.95Å; V229-Y246 HydrophobicContact CG2-CD2 3.82Å; V229-Y246 HydrophobicContact CG2-CE2 4.45Å; V229-Y246 HydrophobicContact CG2-CG 3.53Å; E242-Y246 HydrophobicContact CB-CD2 4.37Å; E242-Y246 WeakPolarHBondContact O-CD2 3.43Å; E242-Y246 PolarHBondContact O-N 3.41Å; Y246-L248 PolarHBondContact O-N 3.11Å
247N95.9Very high95.1Very high97 Ų9767 Ų6752%0.51934%0.342SS..  trans-67.9121.9162.3-69.6-45.9000109.4V4 A228 V229V4-N247 HydrophobicContact CG1-CB 3.91Å; V4-N247 HydrophobicContact CG2-CB 4.13Å; A228-N247 CarbonylContact C-O 3.59Å; A228-N247 WeakPolarHBondContact CA-O 3.4Å; A228-N247 HydrophobicContact CB-CB 4.29Å; V229-N247 PolarHBondContact N-O 3.31Å
248L97.1Very high94Very high28 Ų2861.9 Ų61.915%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-105.1133.9-177.1-51.4-175.5000111.1V229 V231 L238 R243 Y246V229-L248 HydrophobicContact CB-CD2 3.78Å; V229-L248 HydrophobicContact CG1-CD2 4.14Å; V229-L248 WeakPolarHBondContact O-CA 3.47Å; V231-L248 HydrophobicContact CG2-CB 4.46Å; L238-L248 HydrophobicContact CD1-CD1 4.04Å; L238-L248 HydrophobicContact CD1-CD2 3.63Å; L238-L248 HydrophobicContact CD1-CG 4.49Å; R243-L248 HydrophobicContact CB-CD1 4.14Å; R243-L248 HydrophobicContact CG-CD1 3.99Å; Y246-L248 PolarHBondContact O-N 3.11Å
249I97.8Very high92.1Very high0 Ų064.9 Ų64.90%036%0.356CS..EExtended strand (participates in β ladder)trans-125.8140.2169.761.4173.1000110.8V4 L210 V229 V230 V231 F252 Q254V4-I249 HydrophobicContact CB-CG2 4.04Å; V4-I249 HydrophobicContact CG2-CG2 3.63Å; L210-I249 HydrophobicContact CD1-CD1 4.25Å; L210-I249 HydrophobicContact CD2-CD1 4.29Å; V229-I249 PolarHBondContact O-N 2.89Å; V230-I249 CarbonylContact C-O 3.41Å; V230-I249 WeakPolarHBondContact CA-O 3.2Å; V230-I249 HydrophobicContact CB-CG1 4.47Å; V230-I249 HydrophobicContact CG1-CG1 4.42Å; V230-I249 HydrophobicContact CG2-CD1 4.12Å; V230-I249 HydrophobicContact CG2-CG1 4.02Å; V231-I249 PolarHBondContact N-O 2.89Å; I249-F252 HydrophobicContact CD1-CD1 4.11Å; I249-Q254 VanDerWaalsContact CA-OE1 3.23Å; I249-Q254 HydrophobicContact CB-CB 4.37Å; I249-Q254 HydrophobicContact CG2-CB 4.01Å
250T97.4Very high89.5Confident53 Ų5365.8 Ų65.833%0.32537%0.365SS..SBendtrans-100-9.217247.80000113.1M1 V231 R232 Q254M1-T250 HydrophobicContact CE-CG2 3.11Å; V231-T250 HydrophobicContact CB-CG2 3.98Å; V231-T250 HydrophobicContact CG1-CG2 4.33Å; V231-T250 WeakPolarHBondContact O-CA 3.34Å; V231-T250 WeakPolarHBondContact O-CG2 3.35Å; R232-T250 PolarHBondContact NH1-O 3.03Å; R232-T250 VanDerWaalsContact NH1-O 3.1Å; T250-Q254 PolarHBondContact OG1-NE2 3.31Å; T250-Q254 VanDerWaalsContact OG1-NE2 3.16Å; T250-Q254 PolarHBondContact OG1-OE1 3.49Å
251T97.8Very high86.5Confident28 Ų2865.7 Ų65.717%0.17239%0.394CS..SBendtrans-153.5144.2177.6168.90000109D134 S253 Q254D134-T251 VanDerWaalsContact CB-OG1 3.24Å; D134-T251 WeakPolarHBondContact CB-OG1 3.47Å; D134-T251 VanDerWaalsContact OD2-CA 3.23Å; D134-T251 WeakPolarHBondContact OD2-CA 3.34Å; D134-T251 WeakPolarHBondContact OD2-CB 3.39Å; D134-T251 PolarHBondContact OD2-OG1 3.43Å; T251-S253 WeakPolarHBondContact CG2-OG 3.28Å; T251-S253 PolarHBondContact O-N 3.17Å; T251-S253 VanDerWaalsContact O-N 3.16Å; T251-S253 PolarHBondContact OG1-N 3.33Å; T251-S253 PolarHBondContact OG1-OG 3.4Å; T251-Q254 HydrophobicContact CG2-CB 4.5Å; T251-Q254 HydrophobicContact CG2-CG 3.76Å; T251-Q254 WeakPolarHBondContact O-CB 2.87Å; T251-Q254 PolarHBondContact O-N 2.94Å; T251-Q254 VanDerWaalsContact O-N 3.15Å
252F97.9Very high86.1Confident0 Ų061.3 Ų61.30%038%0.378CS..G310 helixtrans-62.8-19175.7-74.310.6000112.7L15 T20 T21 D134 V135 S138 R141 W142 L210 V230 I249 Q254 L255L15-F252 HydrophobicContact CD1-CE2 4.17Å; L15-F252 HydrophobicContact CD2-CE2 4.23Å; L15-F252 HydrophobicContact CD2-CZ 4.24Å; T20-F252 HydrophobicContact CG2-CE1 4.08Å; T20-F252 HydrophobicContact CG2-CZ 3.83Å; T21-F252 HydrophobicContact CG2-CE2 3.84Å; T21-F252 HydrophobicContact CG2-CZ 3.8Å; D134-F252 PolarHBondContact OD2-N 3.1Å; V135-F252 HydrophobicContact CB-CD2 4.32Å; V135-F252 HydrophobicContact CB-CE2 4.43Å; V135-F252 HydrophobicContact CG1-CD2 4.34Å; V135-F252 HydrophobicContact CG1-CE2 4.09Å; V135-F252 HydrophobicContact CG2-CD2 4.06Å; V135-F252 HydrophobicContact CG2-CE2 4.02Å; V135-F252 HydrophobicContact CG2-CZ 4.5Å; S138-F252 VanDerWaalsContact CB-CB 3.44Å; S138-F252 VanDerWaalsContact OG-CB 3.3Å; S138-F252 WeakPolarHBondContact OG-CB 3.29Å; R141-F252 PolarHBondContact NH2-O 3.08Å; W142-F252 HydrophobicContact CH2-CB 3.66Å; W142-F252 HydrophobicContact CH2-CD1 4.41Å; W142-F252 AromaticContact CH2-CD2 3.28Å; W142-F252 HydrophobicContact CH2-CD2 3.28Å; W142-F252 AromaticContact CH2-CE2 3.92Å; W142-F252 HydrophobicContact CH2-CE2 3.92Å; W142-F252 AromaticContact CH2-CG 3.56Å; W142-F252 HydrophobicContact CH2-CG 3.56Å; W142-F252 HydrophobicContact CZ2-CB 3.89Å; W142-F252 HydrophobicContact CZ2-CD2 4.32Å; W142-F252 HydrophobicContact CZ2-CG 4.27Å; W142-F252 AromaticContact CZ3-CD2 3.69Å; W142-F252 HydrophobicContact CZ3-CD2 3.69Å; W142-F252 HydrophobicContact CZ3-CE2 4.05Å; W142-F252 HydrophobicContact CZ3-CG 4.41Å; L210-F252 HydrophobicContact CD1-CD1 4.19Å; L210-F252 HydrophobicContact CD1-CE1 3.83Å; L210-F252 HydrophobicContact CD1-CE2 4.43Å; L210-F252 HydrophobicContact CD1-CZ 3.95Å; V230-F252 HydrophobicContact CG1-CE1 4.13Å; V230-F252 HydrophobicContact CG2-CE1 4.1Å; I249-F252 HydrophobicContact CD1-CD1 4.11Å; F252-Q254 PolarHBondContact O-N 3.35Å; F252-L255 WeakPolarHBondContact O-CB 3.44Å; F252-L255 PolarHBondContact O-N 2.86Å; F252-L255 VanDerWaalsContact O-N 3.16Å
253S95.3Very high85.6Confident60 Ų6062.1 Ų62.142%0.4239%0.386SS..G310 helixtrans-64.7-26.6175.561.50000113.2S138 R141 T251 L255S138-S253 PolarHBondContact OG-N 3.19Å; R141-S253 PolarHBondContact NH2-O 2.93Å; T251-S253 WeakPolarHBondContact CG2-OG 3.28Å; T251-S253 PolarHBondContact O-N 3.17Å; T251-S253 VanDerWaalsContact O-N 3.16Å; T251-S253 PolarHBondContact OG1-N 3.33Å; T251-S253 PolarHBondContact OG1-OG 3.4Å; S253-L255 PolarHBondContact O-N 3.02Å
254Q96.4Very high85.1Confident30 Ų3059.1 Ų59.114%0.1438%0.384CS..G310 helixtrans-69.7-16.1175.9-74.8164.2-11.900113.5S3 V4 I249 T250 T251 F252 E256S3-Q254 CarbonylContact C-O 3.46Å; S3-Q254 WeakPolarHBondContact CA-O 3.47Å; S3-Q254 WeakPolarHBondContact CB-O 3.34Å; V4-Q254 PolarHBondContact N-O 3.17Å; I249-Q254 VanDerWaalsContact CA-OE1 3.23Å; I249-Q254 HydrophobicContact CB-CB 4.37Å; I249-Q254 HydrophobicContact CG2-CB 4.01Å; T250-Q254 PolarHBondContact OG1-NE2 3.31Å; T250-Q254 VanDerWaalsContact OG1-NE2 3.16Å; T250-Q254 PolarHBondContact OG1-OE1 3.49Å; T251-Q254 HydrophobicContact CG2-CB 4.5Å; T251-Q254 HydrophobicContact CG2-CG 3.76Å; T251-Q254 WeakPolarHBondContact O-CB 2.87Å; T251-Q254 PolarHBondContact O-N 2.94Å; T251-Q254 VanDerWaalsContact O-N 3.15Å; F252-Q254 PolarHBondContact O-N 3.35Å; Q254-E256 PolarHBondContact O-N 3.24Å
255L94.8Very high84.6Confident0 Ų056.5 Ų56.50%036%0.364CS..EExtended strand (participates in β ladder)trans-86.3111.6-179.9-163.673000110V4 I6 L13 R141 W142 M208 L210 F252 S253V4-L255 HydrophobicContact CB-CD1 4.11Å; V4-L255 HydrophobicContact CG1-CD1 3.97Å; V4-L255 WeakPolarHBondContact O-CA 3.47Å; I6-L255 HydrophobicContact CD1-CD2 3.48Å; I6-L255 VanDerWaalsContact CD1-CD2 3.48Å; I6-L255 HydrophobicContact CD1-CG 3.64Å; I6-L255 HydrophobicContact CG1-CD1 3.85Å; I6-L255 HydrophobicContact CG1-CD2 3.73Å; I6-L255 HydrophobicContact CG1-CG 3.43Å; I6-L255 VanDerWaalsContact CG1-CG 3.43Å; L13-L255 HydrophobicContact CD2-CD2 4.17Å; R141-L255 PolarHBondContact NH2-O 3.38Å; W142-L255 HydrophobicContact CH2-CD2 4.25Å; W142-L255 HydrophobicContact CZ2-CB 3.99Å; W142-L255 HydrophobicContact CZ2-CD2 3.67Å; W142-L255 HydrophobicContact CZ2-CG 4.39Å; M208-L255 HydrophobicContact CE-CD1 3.49Å; M208-L255 VanDerWaalsContact CE-CD1 3.49Å; M208-L255 HydrophobicContact SD-CD1 3.89Å; M208-L255 HydrophobicContact SD-CD2 4.18Å; L210-L255 HydrophobicContact CD1-CD2 4.16Å; L210-L255 HydrophobicContact CD2-CD2 4.4Å; F252-L255 WeakPolarHBondContact O-CB 3.44Å; F252-L255 PolarHBondContact O-N 2.86Å; F252-L255 VanDerWaalsContact O-N 3.16Å; S253-L255 PolarHBondContact O-N 3.02Å
256E90.8Very high83.9Confident91 Ų9153 Ų5343%0.42535%0.354SS..EExtended strand (participates in β ladder)trans-105.6129.3-174.1-68.3-176.2170.500111.4V4 I6 Q254 N258V4-E256 PolarHBondContact O-N 3.09Å; I6-E256 WeakPolarHBondContact CG1-O 3.44Å; I6-E256 PolarHBondContact N-O 2.78Å; Q254-E256 PolarHBondContact O-N 3.24Å; E256-N258 PolarHBondContact O-N 3.19Å
257V84Confident83.1Confident28 Ų2855.1 Ų55.117%0.1737%0.372CS..EExtended strand (participates in β ladder)trans-78.3118.1172-179.10000108.1I6 Q145 L147 G259 S260I6-V257 HydrophobicContact CD1-CG2 3.72Å; Q145-V257 HydrophobicContact CB-CG1 4.4Å; Q145-V257 VanDerWaalsContact OE1-CB 3.29Å; L147-V257 HydrophobicContact CD1-CG2 3.75Å; V257-G259 PolarHBondContact O-N 3.1Å; V257-S260 PolarHBondContact O-OG 2.88Å
258N70.9Confident82.1Confident69 Ų6952.1 Ų52.137%0.36936%0.361SS..THydrogen-bonded Turntrans-60122.2174.6-73.3-14.4000109.1S5 I6 E8 E256S5-N258 VanDerWaalsContact CB-OD1 3.28Å; S5-N258 WeakPolarHBondContact CB-OD1 3.28Å; S5-N258 PolarHBondContact OG-OD1 3.03Å; S5-N258 VanDerWaalsContact OG-OD1 3.09Å; I6-N258 PolarHBondContact O-ND2 2.97Å; E8-N258 HydrophobicContact CG-CB 4.11Å; E256-N258 PolarHBondContact O-N 3.19Å
259G57Low81Confident82 Ų8254 Ų5485%0.84538%0.378SS*.THydrogen-bonded Turntrans124-0.4177.300000116.7V257 A261V257-G259 PolarHBondContact O-N 3.1Å; G259-A261 PolarHBondContact O-N 3.18Å
260S40.1Very low79.6Confident87 Ų8758.5 Ų58.561%0.60841%0.409SS*.  trans-90.288.8167.935.70000111.6V257V257-S260 PolarHBondContact O-OG 2.88Å
261A32.8Very low78Confident174 Ų17459 Ų59100%1.43842%0.417SS*.  trans-85.10150.400000109.7G259G259-A261 PolarHBondContact O-N 3.18Å

Retrieved 261 of 261 residues in 2277.5 ms (Link to these results)

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